| 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 | 92.5 | Very high | 92 | Very high | 75 Ų | 75 | 33 Ų | 33 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | 0 | 81.4 | 0 | -170.3 | 66.3 | 77 | 0 | 0 | 105.6 | P50 R51 C53 Y124 L125 I128 | M1-P50 VanDerWaalsContact CE-O 3.23Å; M1-P50 WeakPolarHBondContact CE-O 3.5Å; M1-R51 VanDerWaalsContact SD-C 3.56Å; M1-C53 HydrophobicContact CG-CB 3.67Å; M1-C53 HydrophobicContact SD-CB 3.84Å; M1-Y124 HydrophobicContact CE-CE1 4.26Å; M1-Y124 HydrophobicContact CG-CE1 4.2Å; M1-Y124 HydrophobicContact SD-CE1 3.96Å; M1-L125 HydrophobicContact CB-CD2 3.82Å; M1-L125 HydrophobicContact CG-CD2 3.56Å; M1-L125 HydrophobicContact CG-CG 4.31Å; M1-I128 HydrophobicContact CE-CD1 4.31Å | |||
| 2 | N | 96.1 | Very high | 92 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | trans | -160.9 | 20.5 | -166.3 | 67.2 | -43.6 | 0 | 0 | 0 | 111.3 | G30 F31 Q32 R51 | N2-G30 PolarHBondContact ND2-O 2.87Å; N2-G30 VanDerWaalsContact ND2-O 3.13Å; N2-F31 HydrophobicContact CB-CD1 4.26Å; N2-F31 CarbonylContact O-C 3.53Å; N2-F31 WeakPolarHBondContact O-CA 3.42Å; N2-Q32 PolarHBondContact O-N 3.34Å; N2-R51 PolarHBondContact N-O 3.4Å | ||
| 3 | I | 97.8 | Very high | 91.9 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.4 | 176.9 | -56.5 | 176.1 | 0 | 0 | 0 | 107.7 | Q32 I34 R51 I52 C53 | I3-Q32 CarbonylContact C-O 3.6Å; I3-Q32 VanDerWaalsContact CA-O 3.3Å; I3-Q32 WeakPolarHBondContact CA-O 3.38Å; I3-Q32 HydrophobicContact CG1-CB 4.33Å; I3-I34 HydrophobicContact CG2-CD1 3.93Å; I3-I34 HydrophobicContact CG2-CG1 4.06Å; I3-I34 HydrophobicContact CG2-CG2 4.04Å; I3-R51 HydrophobicContact CD1-CB 3.88Å; I3-R51 HydrophobicContact CG1-CB 4.31Å; I3-R51 PolarHBondContact N-O 3.4Å; I3-I52 HydrophobicContact CB-CG1 4.1Å; I3-I52 HydrophobicContact CG2-CG1 3.82Å; I3-I52 CarbonylContact O-C 3.55Å; I3-I52 WeakPolarHBondContact O-CA 3.47Å; I3-C53 PolarHBondContact O-N 3Å; I3-C53 PolarHBondContact O-SG 3.16Å; I3-C53 VanDerWaalsContact O-SG 3.34Å |
| 4 | I | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.5 | 172.5 | -66.2 | 176.8 | 0 | 0 | 0 | 108.3 | L26 F31 Q32 I33 I34 G54 I56 | I4-L26 HydrophobicContact CD1-CD1 4.01Å; I4-L26 HydrophobicContact CD1-CD2 3.84Å; I4-L26 HydrophobicContact CD1-CG 4.46Å; I4-L26 HydrophobicContact CG2-CD1 4.46Å; I4-F31 HydrophobicContact CD1-CB 4.29Å; I4-F31 HydrophobicContact CD1-CD1 3.51Å; I4-F31 HydrophobicContact CD1-CD2 4.2Å; I4-F31 HydrophobicContact CD1-CE1 3.76Å; I4-F31 HydrophobicContact CD1-CE2 4.41Å; I4-F31 HydrophobicContact CD1-CG 3.75Å; I4-F31 HydrophobicContact CD1-CZ 4.2Å; I4-F31 HydrophobicContact CG1-CD1 3.75Å; I4-F31 HydrophobicContact CG1-CE1 4.16Å; I4-F31 HydrophobicContact CG1-CG 4.31Å; I4-Q32 PolarHBondContact N-O 3.4Å; I4-I33 HydrophobicContact CB-CD1 3.87Å; I4-I33 HydrophobicContact CG2-CD1 4.39Å; I4-I33 WeakPolarHBondContact O-CA 3.18Å; I4-I34 PolarHBondContact O-N 2.83Å; I4-G54 WeakPolarHBondContact CA-O 3.41Å; I4-I56 HydrophobicContact CG2-CD1 3.65Å; I4-I56 HydrophobicContact CG2-CG1 3.82Å |
| 5 | A | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 134.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I34 P36 L42 G54 V55 I56 | A5-I34 CarbonylContact C-O 3.25Å; A5-I34 WeakPolarHBondContact CA-O 3.46Å; A5-I34 HydrophobicContact CB-CD1 4.04Å; A5-I34 HydrophobicContact CB-CG1 3.76Å; A5-P36 HydrophobicContact CB-CG 4.08Å; A5-L42 HydrophobicContact CB-CD1 3.63Å; A5-G54 PolarHBondContact N-O 3.14Å; A5-V55 CarbonylContact O-C 3.57Å; A5-V55 WeakPolarHBondContact O-CA 3.39Å; A5-I56 PolarHBondContact O-N 3.43Å |
| 6 | I | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.7 | 176.2 | -53.7 | -173.5 | 0 | 0 | 0 | 109.2 | I19 E23 I33 I34 W35 P36 I56 | I6-I19 HydrophobicContact CD1-CG2 4.39Å; I6-I19 HydrophobicContact CG2-CG2 3.74Å; I6-E23 HydrophobicContact CD1-CB 4.44Å; I6-I33 HydrophobicContact CD1-CG2 3.51Å; I6-I33 HydrophobicContact CG1-CG2 3.8Å; I6-I34 PolarHBondContact N-O 2.68Å; I6-W35 HydrophobicContact CB-CD2 4.14Å; I6-W35 HydrophobicContact CB-CE3 4.01Å; I6-W35 HydrophobicContact CB-CH2 4.24Å; I6-W35 HydrophobicContact CB-CZ2 4.33Å; I6-W35 HydrophobicContact CB-CZ3 4.07Å; I6-W35 HydrophobicContact CD1-CZ2 4.14Å; I6-W35 HydrophobicContact CG2-CE3 3.97Å; I6-W35 HydrophobicContact CG2-CH2 3.67Å; I6-W35 HydrophobicContact CG2-CZ2 4.19Å; I6-W35 HydrophobicContact CG2-CZ3 3.52Å; I6-P36 WeakPolarHBondContact O-CD 3.25Å; I6-I56 HydrophobicContact CD1-CD1 4.15Å; I6-I56 HydrophobicContact CG1-CB 4.17Å; I6-I56 HydrophobicContact CG1-CD1 4Å; I6-I56 HydrophobicContact CG1-CG1 4.47Å; I6-I56 HydrophobicContact CG2-CB 4.38Å; I6-I56 HydrophobicContact CG2-CG2 4.37Å |
| 7 | M | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -86.6 | 111.6 | 172.9 | -62.6 | -64.3 | -66.7 | 0 | 0 | 109 | H10 P36 L42 V55 I56 F57 Y62 | M7-H10 PolarHBondContact O-CE1 3.37Å; M7-H10 VanDerWaalsContact O-CE1 3.29Å; M7-P36 HydrophobicContact SD-CB 4.13Å; M7-P36 HydrophobicContact SD-CG 4.3Å; M7-L42 HydrophobicContact CE-CD2 4.49Å; M7-L42 HydrophobicContact CG-CD2 3.97Å; M7-L42 HydrophobicContact SD-CB 3.81Å; M7-L42 HydrophobicContact SD-CD2 3.57Å; M7-L42 VanDerWaalsContact SD-CD2 3.57Å; M7-L42 HydrophobicContact SD-CG 4.2Å; M7-V55 HydrophobicContact CG-CG1 4.39Å; M7-I56 PolarHBondContact N-O 3.4Å; M7-F57 HydrophobicContact CB-CB 3.74Å; M7-F57 HydrophobicContact CG-CB 3.91Å; M7-Y62 HydrophobicContact CB-CD2 3.94Å; M7-Y62 HydrophobicContact CB-CE2 3.73Å; M7-Y62 HydrophobicContact CB-CG 4.47Å; M7-Y62 HydrophobicContact CE-CD1 3.57Å; M7-Y62 HydrophobicContact CE-CE1 3.28Å; M7-Y62 HydrophobicContact CE-CE2 4.33Å; M7-Y62 HydrophobicContact CE-CG 4.21Å | ||
| 8 | G | 84.2 | Confident | 92.5 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | trans | 165.1 | -171.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | P | 81.9 | Confident | 92.7 | Very high | 100 Ų | 100 | 43.1 Ų | 43.1 | 65% | 0.649 | 24% | 0.237 | S | C | * | . | cis | -71.5 | 161.2 | 0.9 | 30.7 | -36.4 | 0 | 0 | 0 | 113.3 | ||||
| 10 | H | 84.1 | Confident | 92.9 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | trans | -93.6 | -12.6 | -178.2 | -53.3 | -68.4 | 0 | 0 | 0 | 112.9 | M7 V12 K15 D16 E61 Y105 | M7-H10 PolarHBondContact O-CE1 3.37Å; M7-H10 VanDerWaalsContact O-CE1 3.29Å; H10-V12 VanDerWaalsContact C-N 3.34Å; H10-V12 HydrophobicContact CB-CG2 4.31Å; H10-K15 HydrophobicContact CB-CB 4.18Å; H10-K15 HydrophobicContact CB-CD 3.88Å; H10-D16 IonicContact CD2-OD1 3.52Å; H10-D16 PolarHBondContact N-OD1 2.77Å; H10-E61 IonicContact CE1-OE2 3.9Å; H10-E61 IonicContact CG-OE1 3.14Å; H10-E61 IonicContact CG-OE2 2.7Å; H10-E61 VanDerWaalsContact ND1-CD 3.34Å; H10-E61 IonicContact ND1-OE1 2.9Å; H10-E61 PolarHBondContact ND1-OE1 2.88Å; H10-E61 IonicContact ND1-OE2 3.91Å; H10-E61 PolarHBondContact ND1-OE2 3.5Å; H10-Y105 PolarHBondContact NE2-OH 3.03Å | ||
| 11 | G | 89.1 | Confident | 93.1 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 68% | 0.68 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 80.5 | 12.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D16 | G11-D16 VanDerWaalsContact CA-OD2 3.32Å; G11-D16 WeakPolarHBondContact CA-OD2 3.34Å; G11-D16 PolarHBondContact N-OD1 2.96Å; G11-D16 PolarHBondContact N-OD2 3.46Å |
| 12 | V | 91.9 | Very high | 93.3 | Very high | 56 Ų | 56 | 44 Ų | 44 | 34% | 0.339 | 24% | 0.235 | S | C | . | . | trans | -131.4 | 124.9 | 177.2 | -69 | 0 | 0 | 0 | 0 | 110.2 | H10 Y14 K15 D16 | H10-V12 VanDerWaalsContact C-N 3.34Å; H10-V12 HydrophobicContact CB-CG2 4.31Å; V12-Y14 VanDerWaalsContact C-N 3.26Å; V12-Y14 HydrophobicContact CB-CD1 3.89Å; V12-Y14 HydrophobicContact CB-CE1 3.69Å; V12-Y14 HydrophobicContact CG1-CE1 4.35Å; V12-Y14 HydrophobicContact CG2-CD1 3.92Å; V12-Y14 HydrophobicContact CG2-CE1 3.45Å; V12-Y14 VanDerWaalsContact CG2-CE1 3.45Å; V12-Y14 PolarHBondContact O-N 2.9Å; V12-Y14 VanDerWaalsContact O-N 3.12Å; V12-K15 HydrophobicContact CG2-CB 3.89Å; V12-K15 HydrophobicContact CG2-CD 3.76Å; V12-K15 HydrophobicContact CG2-CG 3.68Å; V12-K15 PolarHBondContact O-N 3.45Å; V12-D16 PolarHBondContact N-OD2 3.08Å; V12-D16 PolarHBondContact O-N 3.45Å | ||
| 13 | F | 91.3 | Very high | 93.3 | Very high | 144 Ų | 144 | 43.7 Ų | 43.7 | 63% | 0.632 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -55.7 | -37.2 | -170.9 | -173.6 | -95.6 | 0 | 0 | 0 | 114 | K15 D16 E17 | F13-K15 PolarHBondContact O-N 2.87Å; F13-D16 PolarHBondContact O-N 3.28Å; F13-E17 HydrophobicContact CD1-CB 4.31Å; F13-E17 HydrophobicContact CD2-CB 4.29Å; F13-E17 HydrophobicContact CE1-CB 3.93Å; F13-E17 HydrophobicContact CE1-CG 4.14Å; F13-E17 HydrophobicContact CE2-CB 3.9Å; F13-E17 HydrophobicContact CE2-CG 4.05Å; F13-E17 HydrophobicContact CG-CB 4.49Å; F13-E17 HydrophobicContact CZ-CB 3.71Å; F13-E17 HydrophobicContact CZ-CG 3.61Å; F13-E17 WeakPolarHBondContact O-CB 3.34Å; F13-E17 PolarHBondContact O-N 3.48Å |
| 14 | Y | 92.3 | Very high | 93.3 | Very high | 137 Ų | 137 | 46.5 Ų | 46.5 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.2 | -20.1 | -179 | 80.2 | -86.8 | 0 | 0 | 0 | 113.5 | V12 P18 | V12-Y14 VanDerWaalsContact C-N 3.26Å; V12-Y14 HydrophobicContact CB-CD1 3.89Å; V12-Y14 HydrophobicContact CB-CE1 3.69Å; V12-Y14 HydrophobicContact CG1-CE1 4.35Å; V12-Y14 HydrophobicContact CG2-CD1 3.92Å; V12-Y14 HydrophobicContact CG2-CE1 3.45Å; V12-Y14 VanDerWaalsContact CG2-CE1 3.45Å; V12-Y14 PolarHBondContact O-N 2.9Å; V12-Y14 VanDerWaalsContact O-N 3.12Å; Y14-P18 WeakPolarHBondContact O-CD 3.4Å; Y14-P18 VanDerWaalsContact O-CG 3.28Å; Y14-P18 WeakPolarHBondContact O-CG 3.44Å |
| 15 | K | 93.5 | Very high | 93.3 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -94.6 | -44.5 | 170.1 | -63.1 | -171.3 | -177.4 | -171.4 | 0 | 111.4 | H10 V12 F13 P18 I19 D58 E61 N84 Y105 | H10-K15 HydrophobicContact CB-CB 4.18Å; H10-K15 HydrophobicContact CB-CD 3.88Å; V12-K15 HydrophobicContact CG2-CB 3.89Å; V12-K15 HydrophobicContact CG2-CD 3.76Å; V12-K15 HydrophobicContact CG2-CG 3.68Å; V12-K15 PolarHBondContact O-N 3.45Å; F13-K15 PolarHBondContact O-N 2.87Å; K15-P18 WeakPolarHBondContact O-CD 3.4Å; K15-I19 VanDerWaalsContact O-CG1 3.29Å; K15-I19 WeakPolarHBondContact O-CG1 3.49Å; K15-I19 PolarHBondContact O-N 3.2Å; K15-D58 WeakPolarHBondContact CE-OD2 3.47Å; K15-D58 IonicContact NZ-OD1 2.84Å; K15-D58 IonicContact NZ-OD2 2.76Å; K15-D58 PolarHBondContact NZ-OD2 2.8Å; K15-E61 IonicContact NZ-OE1 3.87Å; K15-E61 PolarHBondContact NZ-OE1 3.49Å; K15-N84 WeakPolarHBondContact CE-OD1 3.46Å; K15-Y105 HydrophobicContact CB-CD1 3.83Å; K15-Y105 HydrophobicContact CB-CE1 3.64Å; K15-Y105 HydrophobicContact CB-CE2 4.38Å; K15-Y105 HydrophobicContact CB-CG 4.26Å; K15-Y105 HydrophobicContact CD-CD2 4.35Å; K15-Y105 HydrophobicContact CD-CE1 4.39Å; K15-Y105 HydrophobicContact CD-CE2 3.78Å; K15-Y105 HydrophobicContact CG-CD1 4.07Å; K15-Y105 HydrophobicContact CG-CD2 3.88Å; K15-Y105 HydrophobicContact CG-CE1 3.98Å; K15-Y105 HydrophobicContact CG-CE2 3.78Å; K15-Y105 HydrophobicContact CG-CG 4.01Å |
| 16 | D | 93.9 | Very high | 93.3 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.9 | -38.6 | -171.7 | -66.6 | -26.2 | 0 | 0 | 0 | 113.2 | H10 G11 V12 F13 I19 K20 | H10-D16 IonicContact CD2-OD1 3.52Å; H10-D16 PolarHBondContact N-OD1 2.77Å; G11-D16 VanDerWaalsContact CA-OD2 3.32Å; G11-D16 WeakPolarHBondContact CA-OD2 3.34Å; G11-D16 PolarHBondContact N-OD1 2.96Å; G11-D16 PolarHBondContact N-OD2 3.46Å; V12-D16 PolarHBondContact N-OD2 3.08Å; V12-D16 PolarHBondContact O-N 3.45Å; F13-D16 PolarHBondContact O-N 3.28Å; D16-I19 PolarHBondContact O-N 3.47Å; D16-K20 WeakPolarHBondContact O-CB 3.29Å; D16-K20 PolarHBondContact O-N 3.19Å |
| 17 | E | 95.5 | Very high | 93.3 | Very high | 52 Ų | 52 | 51 Ų | 51 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.2 | -44.1 | -178.3 | -166.8 | 69.1 | -168.1 | 0 | 0 | 112.5 | F13 I19 K20 E21 L107 | F13-E17 HydrophobicContact CD1-CB 4.31Å; F13-E17 HydrophobicContact CD2-CB 4.29Å; F13-E17 HydrophobicContact CE1-CB 3.93Å; F13-E17 HydrophobicContact CE1-CG 4.14Å; F13-E17 HydrophobicContact CE2-CB 3.9Å; F13-E17 HydrophobicContact CE2-CG 4.05Å; F13-E17 HydrophobicContact CG-CB 4.49Å; F13-E17 HydrophobicContact CZ-CB 3.71Å; F13-E17 HydrophobicContact CZ-CG 3.61Å; F13-E17 WeakPolarHBondContact O-CB 3.34Å; F13-E17 PolarHBondContact O-N 3.48Å; E17-I19 VanDerWaalsContact C-N 3.31Å; E17-I19 PolarHBondContact O-N 2.83Å; E17-K20 WeakPolarHBondContact O-CB 3.05Å; E17-K20 PolarHBondContact O-N 2.96Å; E17-E21 PolarHBondContact O-N 3.48Å; E17-L107 HydrophobicContact CB-CD2 4Å; E17-L107 HydrophobicContact CG-CD2 3.71Å |
| 18 | P | 95.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.4 | -38.9 | 170.6 | -27.9 | 36.1 | 0 | 0 | 0 | 114.1 | Y14 K15 K20 E21 L22 L107 | Y14-P18 WeakPolarHBondContact O-CD 3.4Å; Y14-P18 VanDerWaalsContact O-CG 3.28Å; Y14-P18 WeakPolarHBondContact O-CG 3.44Å; K15-P18 WeakPolarHBondContact O-CD 3.4Å; P18-K20 VanDerWaalsContact C-N 3.33Å; P18-K20 PolarHBondContact O-N 2.94Å; P18-E21 PolarHBondContact O-N 3.42Å; P18-L22 WeakPolarHBondContact O-CB 3.38Å; P18-L22 PolarHBondContact O-N 3.01Å; P18-L107 HydrophobicContact CG-CD2 4Å; P18-L107 HydrophobicContact CG-CG 4.46Å |
| 19 | I | 96.3 | Very high | 94 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 177.7 | -66.3 | -65.4 | 0 | 0 | 0 | 111.4 | I6 K15 D16 E17 L22 E23 W35 I56 F82 Y105 | I6-I19 HydrophobicContact CD1-CG2 4.39Å; I6-I19 HydrophobicContact CG2-CG2 3.74Å; K15-I19 VanDerWaalsContact O-CG1 3.29Å; K15-I19 WeakPolarHBondContact O-CG1 3.49Å; K15-I19 PolarHBondContact O-N 3.2Å; D16-I19 PolarHBondContact O-N 3.47Å; E17-I19 VanDerWaalsContact C-N 3.31Å; E17-I19 PolarHBondContact O-N 2.83Å; I19-L22 HydrophobicContact CD1-CD2 4.48Å; I19-L22 WeakPolarHBondContact O-CB 3.22Å; I19-L22 PolarHBondContact O-N 3.16Å; I19-E23 PolarHBondContact O-N 3.45Å; I19-W35 HydrophobicContact CG2-CH2 3.64Å; I19-W35 HydrophobicContact CG2-CZ2 4.36Å; I19-W35 HydrophobicContact CG2-CZ3 4.44Å; I19-I56 HydrophobicContact CD1-CG2 4.11Å; I19-F82 HydrophobicContact CD1-CD1 4.36Å; I19-F82 HydrophobicContact CD1-CD2 4.14Å; I19-F82 HydrophobicContact CD1-CE1 4.16Å; I19-F82 HydrophobicContact CD1-CE2 3.95Å; I19-F82 HydrophobicContact CD1-CG 4.36Å; I19-F82 HydrophobicContact CD1-CZ 3.97Å; I19-Y105 HydrophobicContact CD1-CE1 3.96Å; I19-Y105 HydrophobicContact CG1-CD1 4.36Å; I19-Y105 HydrophobicContact CG1-CE1 3.79Å |
| 20 | K | 95.8 | Very high | 94.7 | Very high | 115 Ų | 115 | 55.1 Ų | 55.1 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.7 | -38.4 | 175.6 | -174.5 | -176.1 | 172.5 | -163.6 | 0 | 112.9 | D16 E17 P18 L22 S24 | D16-K20 WeakPolarHBondContact O-CB 3.29Å; D16-K20 PolarHBondContact O-N 3.19Å; E17-K20 WeakPolarHBondContact O-CB 3.05Å; E17-K20 PolarHBondContact O-N 2.96Å; P18-K20 VanDerWaalsContact C-N 3.33Å; P18-K20 PolarHBondContact O-N 2.94Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-S24 PolarHBondContact O-N 2.67Å; K20-S24 PolarHBondContact O-OG 2.72Å |
| 21 | E | 96.8 | Very high | 95.4 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 169.4 | -70.1 | -174.8 | 172.6 | 0 | 0 | 110.4 | E17 P18 S24 A25 G108 A110 | E17-E21 PolarHBondContact O-N 3.48Å; P18-E21 PolarHBondContact O-N 3.42Å; E21-S24 WeakPolarHBondContact O-CB 3.45Å; E21-S24 PolarHBondContact O-N 3.31Å; E21-A25 PolarHBondContact O-N 2.72Å; E21-G108 PolarHBondContact OE2-N 2.86Å; E21-A110 VanDerWaalsContact C-CB 3.44Å; E21-A110 HydrophobicContact CB-CB 3.54Å |
| 22 | L | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 177.9 | 179.3 | 60.9 | 0 | 0 | 0 | 113 | P18 I19 K20 S24 A25 L26 I56 F82 A110 I113 A114 M117 | P18-L22 WeakPolarHBondContact O-CB 3.38Å; P18-L22 PolarHBondContact O-N 3.01Å; I19-L22 HydrophobicContact CD1-CD2 4.48Å; I19-L22 WeakPolarHBondContact O-CB 3.22Å; I19-L22 PolarHBondContact O-N 3.16Å; K20-L22 VanDerWaalsContact C-N 3.31Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 3.39Å; L22-A25 PolarHBondContact O-N 3.32Å; L22-L26 HydrophobicContact CD1-CD1 4.08Å; L22-L26 HydrophobicContact CD1-CG 3.98Å; L22-L26 HydrophobicContact CG-CD1 3.9Å; L22-L26 HydrophobicContact CG-CG 4.28Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.25Å; L22-L26 PolarHBondContact O-N 3.22Å; L22-I56 HydrophobicContact CD2-CD1 3.9Å; L22-F82 HydrophobicContact CD2-CE2 4.01Å; L22-F82 HydrophobicContact CD2-CZ 3.67Å; L22-A110 HydrophobicContact CB-CB 4.36Å; L22-I113 HydrophobicContact CD1-CB 4Å; L22-I113 HydrophobicContact CD1-CG2 3.64Å; L22-I113 HydrophobicContact CD2-CG2 3.96Å; L22-I113 HydrophobicContact CG-CG2 4.47Å; L22-A114 HydrophobicContact CD1-CB 4.05Å; L22-M117 HydrophobicContact CD1-SD 4.2Å; L22-M117 HydrophobicContact CD2-CE 3.84Å; L22-M117 HydrophobicContact CD2-SD 4.22Å |
| 23 | E | 96.9 | Very high | 96 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.4 | -47.5 | 173.3 | 174.2 | 174.2 | -146.8 | 0 | 0 | 110.5 | I6 I19 A25 L26 V27 I33 W35 | I6-E23 HydrophobicContact CD1-CB 4.44Å; I19-E23 PolarHBondContact O-N 3.45Å; E23-A25 PolarHBondContact O-N 2.8Å; E23-L26 PolarHBondContact O-N 3.32Å; E23-V27 WeakPolarHBondContact O-CB 3.44Å; E23-V27 VanDerWaalsContact O-CG2 3.31Å; E23-V27 WeakPolarHBondContact O-CG2 3.44Å; E23-V27 PolarHBondContact O-N 3.24Å; E23-I33 HydrophobicContact CG-CB 4.37Å; E23-I33 HydrophobicContact CG-CG1 4.14Å; E23-I33 HydrophobicContact CG-CG2 4.23Å; E23-W35 PolarHBondContact OE1-NE1 2.96Å |
| 24 | S | 97.2 | Very high | 96.3 | Very high | 76 Ų | 76 | 49.2 Ų | 49.2 | 53% | 0.531 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | K20 E21 L22 A28 | K20-S24 PolarHBondContact O-N 2.67Å; K20-S24 PolarHBondContact O-OG 2.72Å; E21-S24 WeakPolarHBondContact O-CB 3.45Å; E21-S24 PolarHBondContact O-N 3.31Å; L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 3.39Å; S24-A28 WeakPolarHBondContact O-CB 3.37Å; S24-A28 PolarHBondContact O-N 3.38Å |
| 25 | A | 97.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E21 L22 E23 A28 Q29 A110 A114 | E21-A25 PolarHBondContact O-N 2.72Å; L22-A25 PolarHBondContact O-N 3.32Å; E23-A25 PolarHBondContact O-N 2.8Å; A25-A28 PolarHBondContact O-N 2.85Å; A25-Q29 PolarHBondContact O-N 2.81Å; A25-A110 HydrophobicContact CB-CB 4.25Å; A25-A114 HydrophobicContact CB-CB 3.7Å |
| 26 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 177.1 | -71 | 170.6 | 0 | 0 | 0 | 112 | I4 L22 E23 A28 Q29 G30 F31 I33 I56 A114 M117 | I4-L26 HydrophobicContact CD1-CD1 4.01Å; I4-L26 HydrophobicContact CD1-CD2 3.84Å; I4-L26 HydrophobicContact CD1-CG 4.46Å; I4-L26 HydrophobicContact CG2-CD1 4.46Å; L22-L26 HydrophobicContact CD1-CD1 4.08Å; L22-L26 HydrophobicContact CD1-CG 3.98Å; L22-L26 HydrophobicContact CG-CD1 3.9Å; L22-L26 HydrophobicContact CG-CG 4.28Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.25Å; L22-L26 PolarHBondContact O-N 3.22Å; E23-L26 PolarHBondContact O-N 3.32Å; L26-A28 VanDerWaalsContact C-N 3.29Å; L26-A28 PolarHBondContact O-N 3.35Å; L26-Q29 CarbonylContact O-C 3.56Å; L26-Q29 WeakPolarHBondContact O-CA 3.48Å; L26-Q29 PolarHBondContact O-N 2.94Å; L26-G30 PolarHBondContact O-N 3.33Å; L26-F31 HydrophobicContact CB-CB 4.2Å; L26-F31 HydrophobicContact CB-CD2 4.32Å; L26-F31 HydrophobicContact CD2-CD2 3.9Å; L26-F31 HydrophobicContact CD2-CE2 4.19Å; L26-F31 WeakPolarHBondContact O-CB 3.47Å; L26-F31 PolarHBondContact O-N 3.18Å; L26-F31 VanDerWaalsContact O-N 3.15Å; L26-I33 HydrophobicContact CB-CD1 3.91Å; L26-I33 HydrophobicContact CD1-CD1 4.01Å; L26-I56 HydrophobicContact CD1-CD1 3.75Å; L26-A114 HydrophobicContact CD2-CB 3.89Å; L26-A114 HydrophobicContact CG-CB 4.22Å; L26-M117 HydrophobicContact CD1-SD 4.02Å; L26-M117 HydrophobicContact CD2-CB 4.15Å; L26-M117 HydrophobicContact CD2-SD 4.01Å |
| 27 | V | 97.6 | Very high | 96.5 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 49% | 0.485 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 175.2 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | E23 Q29 G30 I33 | E23-V27 WeakPolarHBondContact O-CB 3.44Å; E23-V27 VanDerWaalsContact O-CG2 3.31Å; E23-V27 WeakPolarHBondContact O-CG2 3.44Å; E23-V27 PolarHBondContact O-N 3.24Å; V27-Q29 PolarHBondContact O-N 2.84Å; V27-G30 PolarHBondContact O-N 2.94Å; V27-I33 HydrophobicContact CG2-CG1 3.82Å |
| 28 | A | 97.3 | Very high | 96.3 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 74% | 0.736 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.1 | -25.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S24 A25 L26 | S24-A28 WeakPolarHBondContact O-CB 3.37Å; S24-A28 PolarHBondContact O-N 3.38Å; A25-A28 PolarHBondContact O-N 2.85Å; L26-A28 VanDerWaalsContact C-N 3.29Å; L26-A28 PolarHBondContact O-N 3.35Å |
| 29 | Q | 96 | Very high | 96.1 | Very high | 63 Ų | 63 | 54.1 Ų | 54.1 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 3.9 | 174.2 | -64 | -171.5 | 31.6 | 0 | 0 | 114.2 | A25 L26 V27 F31 A114 | A25-Q29 PolarHBondContact O-N 2.81Å; L26-Q29 CarbonylContact O-C 3.56Å; L26-Q29 WeakPolarHBondContact O-CA 3.48Å; L26-Q29 PolarHBondContact O-N 2.94Å; V27-Q29 PolarHBondContact O-N 2.84Å; Q29-F31 HydrophobicContact CB-CD2 4.11Å; Q29-F31 HydrophobicContact CB-CE2 4.32Å; Q29-A114 VanDerWaalsContact NE2-CB 3.34Å; Q29-A114 PolarHBondContact OE1-O 2.88Å |
| 30 | G | 96.2 | Very high | 95.9 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 12.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N2 L26 V27 | N2-G30 PolarHBondContact ND2-O 2.87Å; N2-G30 VanDerWaalsContact ND2-O 3.13Å; L26-G30 PolarHBondContact O-N 3.33Å; V27-G30 PolarHBondContact O-N 2.94Å |
| 31 | F | 97.6 | Very high | 95.9 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 144.3 | 169.6 | -70 | -79.9 | 0 | 0 | 0 | 111.1 | N2 I4 L26 Q29 I33 R118 T121 | N2-F31 HydrophobicContact CB-CD1 4.26Å; N2-F31 CarbonylContact O-C 3.53Å; N2-F31 WeakPolarHBondContact O-CA 3.42Å; I4-F31 HydrophobicContact CD1-CB 4.29Å; I4-F31 HydrophobicContact CD1-CD1 3.51Å; I4-F31 HydrophobicContact CD1-CD2 4.2Å; I4-F31 HydrophobicContact CD1-CE1 3.76Å; I4-F31 HydrophobicContact CD1-CE2 4.41Å; I4-F31 HydrophobicContact CD1-CG 3.75Å; I4-F31 HydrophobicContact CD1-CZ 4.2Å; I4-F31 HydrophobicContact CG1-CD1 3.75Å; I4-F31 HydrophobicContact CG1-CE1 4.16Å; I4-F31 HydrophobicContact CG1-CG 4.31Å; L26-F31 HydrophobicContact CB-CB 4.2Å; L26-F31 HydrophobicContact CB-CD2 4.32Å; L26-F31 HydrophobicContact CD2-CD2 3.9Å; L26-F31 HydrophobicContact CD2-CE2 4.19Å; L26-F31 WeakPolarHBondContact O-CB 3.47Å; L26-F31 PolarHBondContact O-N 3.18Å; L26-F31 VanDerWaalsContact O-N 3.15Å; Q29-F31 HydrophobicContact CB-CD2 4.11Å; Q29-F31 HydrophobicContact CB-CE2 4.32Å; F31-I33 HydrophobicContact CB-CD1 4.15Å; F31-R118 HydrophobicContact CE2-CB 4.29Å; F31-T121 HydrophobicContact CE1-CG2 4.11Å; F31-T121 HydrophobicContact CZ-CG2 4.3Å |
| 32 | Q | 97.4 | Very high | 95.8 | Very high | 111 Ų | 111 | 52.5 Ų | 52.5 | 52% | 0.519 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.4 | 166.9 | 178.8 | -178.8 | -10.2 | 0 | 0 | 108.3 | N2 I3 I4 | N2-Q32 PolarHBondContact O-N 3.34Å; I3-Q32 CarbonylContact C-O 3.6Å; I3-Q32 VanDerWaalsContact CA-O 3.3Å; I3-Q32 WeakPolarHBondContact CA-O 3.38Å; I3-Q32 HydrophobicContact CG1-CB 4.33Å; I4-Q32 PolarHBondContact N-O 3.4Å |
| 33 | I | 97.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.5 | -178.1 | -53.4 | -54.2 | 0 | 0 | 0 | 110 | I4 I6 E23 L26 V27 F31 | I4-I33 HydrophobicContact CB-CD1 3.87Å; I4-I33 HydrophobicContact CG2-CD1 4.39Å; I4-I33 WeakPolarHBondContact O-CA 3.18Å; I6-I33 HydrophobicContact CD1-CG2 3.51Å; I6-I33 HydrophobicContact CG1-CG2 3.8Å; E23-I33 HydrophobicContact CG-CB 4.37Å; E23-I33 HydrophobicContact CG-CG1 4.14Å; E23-I33 HydrophobicContact CG-CG2 4.23Å; L26-I33 HydrophobicContact CB-CD1 3.91Å; L26-I33 HydrophobicContact CD1-CD1 4.01Å; V27-I33 HydrophobicContact CG2-CG1 3.82Å; F31-I33 HydrophobicContact CB-CD1 4.15Å |
| 34 | I | 96.7 | Very high | 95.5 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.138 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.1 | 172.7 | 64.9 | 173.1 | 0 | 0 | 0 | 110.2 | I3 I4 A5 I6 P36 F45 I52 | I3-I34 HydrophobicContact CG2-CD1 3.93Å; I3-I34 HydrophobicContact CG2-CG1 4.06Å; I3-I34 HydrophobicContact CG2-CG2 4.04Å; I4-I34 PolarHBondContact O-N 2.83Å; A5-I34 CarbonylContact C-O 3.25Å; A5-I34 WeakPolarHBondContact CA-O 3.46Å; A5-I34 HydrophobicContact CB-CD1 4.04Å; A5-I34 HydrophobicContact CB-CG1 3.76Å; I6-I34 PolarHBondContact N-O 2.68Å; I34-P36 WeakPolarHBondContact O-CD 3.32Å; I34-F45 HydrophobicContact CD1-CB 4.38Å; I34-F45 HydrophobicContact CD1-CD1 3.93Å; I34-F45 HydrophobicContact CD1-CG 4.2Å; I34-I52 HydrophobicContact CD1-CD1 4.02Å; I34-I52 HydrophobicContact CD1-CG1 4.4Å |
| 35 | W | 96.5 | Very high | 95.3 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | trans | -124.1 | 84.2 | -176.3 | -69.8 | 88.2 | 0 | 0 | 0 | 110.5 | I6 I19 E23 | I6-W35 HydrophobicContact CB-CD2 4.14Å; I6-W35 HydrophobicContact CB-CE3 4.01Å; I6-W35 HydrophobicContact CB-CH2 4.24Å; I6-W35 HydrophobicContact CB-CZ2 4.33Å; I6-W35 HydrophobicContact CB-CZ3 4.07Å; I6-W35 HydrophobicContact CD1-CZ2 4.14Å; I6-W35 HydrophobicContact CG2-CE3 3.97Å; I6-W35 HydrophobicContact CG2-CH2 3.67Å; I6-W35 HydrophobicContact CG2-CZ2 4.19Å; I6-W35 HydrophobicContact CG2-CZ3 3.52Å; I19-W35 HydrophobicContact CG2-CH2 3.64Å; I19-W35 HydrophobicContact CG2-CZ2 4.36Å; I19-W35 HydrophobicContact CG2-CZ3 4.44Å; E23-W35 PolarHBondContact OE1-NE1 2.96Å | ||
| 36 | P | 95.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | trans | -62.2 | 143.5 | 175.4 | -17.9 | 31.5 | 0 | 0 | 0 | 111.3 | A5 I6 M7 I34 N38 D41 L42 | A5-P36 HydrophobicContact CB-CG 4.08Å; I6-P36 WeakPolarHBondContact O-CD 3.25Å; M7-P36 HydrophobicContact SD-CB 4.13Å; M7-P36 HydrophobicContact SD-CG 4.3Å; I34-P36 WeakPolarHBondContact O-CD 3.32Å; P36-N38 PolarHBondContact O-N 3.4Å; P36-D41 WeakPolarHBondContact CA-OD2 3.36Å; P36-D41 HydrophobicContact CB-CB 4.23Å; P36-L42 HydrophobicContact CB-CB 3.81Å; P36-L42 HydrophobicContact CG-CB 3.97Å; P36-L42 HydrophobicContact CG-CD1 3.94Å | ||
| 37 | Q | 91.9 | Very high | 94.8 | Very high | 151 Ų | 151 | 58.6 Ų | 58.6 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -74.2 | -26.6 | -174.9 | -63 | -60.9 | -60.5 | 0 | 0 | 113.6 | D41 | Q37-D41 PolarHBondContact N-OD2 2.89Š|
| 38 | N | 91 | Very high | 94.3 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -166.5 | 178.2 | -179.9 | 56.4 | 59.7 | 0 | 0 | 0 | 110.1 | P36 V40 D41 L42 | P36-N38 PolarHBondContact O-N 3.4Å; N38-V40 VanDerWaalsContact C-N 3.29Å; N38-V40 PolarHBondContact O-N 2.82Å; N38-V40 WeakPolarHBondContact OD1-CB 3.3Å; N38-V40 PolarHBondContact OD1-N 3.38Å; N38-D41 WeakPolarHBondContact O-CB 3.38Å; N38-D41 PolarHBondContact O-N 3.45Å; N38-D41 VanDerWaalsContact O-N 3.16Å; N38-D41 PolarHBondContact OD1-N 2.84Å; N38-L42 PolarHBondContact O-N 3.05Å |
| 39 | S | 92.5 | Very high | 94.1 | Very high | 38 Ų | 38 | 59.5 Ų | 59.5 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57 | -39.3 | -178.7 | -53.2 | 0 | 0 | 0 | 0 | 113.1 | D41 L42 L43 | S39-D41 PolarHBondContact O-N 3.09Å; S39-L42 PolarHBondContact O-N 3.34Å; S39-L43 WeakPolarHBondContact O-CB 3.42Å; S39-L43 WeakPolarHBondContact O-CG 3.4Å; S39-L43 PolarHBondContact O-N 3.05Å |
| 40 | V | 92.8 | Very high | 94 | Very high | 101 Ų | 101 | 61.2 Ų | 61.2 | 61% | 0.612 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 179.4 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | N38 K44 | N38-V40 VanDerWaalsContact C-N 3.29Å; N38-V40 PolarHBondContact O-N 2.82Å; N38-V40 WeakPolarHBondContact OD1-CB 3.3Å; N38-V40 PolarHBondContact OD1-N 3.38Å; V40-K44 VanDerWaalsContact O-CG 3.31Å; V40-K44 WeakPolarHBondContact O-CG 3.49Å; V40-K44 PolarHBondContact O-N 3.11Å |
| 41 | D | 94.2 | Very high | 94 | Very high | 49 Ų | 49 | 66.6 Ų | 66.6 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 176.4 | -165.6 | 25.5 | 0 | 0 | 0 | 110.9 | P36 Q37 N38 S39 L43 K44 F45 | P36-D41 WeakPolarHBondContact CA-OD2 3.36Å; P36-D41 HydrophobicContact CB-CB 4.23Å; Q37-D41 PolarHBondContact N-OD2 2.89Å; N38-D41 WeakPolarHBondContact O-CB 3.38Å; N38-D41 PolarHBondContact O-N 3.45Å; N38-D41 VanDerWaalsContact O-N 3.16Å; N38-D41 PolarHBondContact OD1-N 2.84Å; S39-D41 PolarHBondContact O-N 3.09Å; D41-L43 PolarHBondContact O-N 2.97Å; D41-K44 PolarHBondContact O-N 3.18Å; D41-F45 WeakPolarHBondContact O-CD2 3.27Å; D41-F45 PolarHBondContact O-N 3.32Å; D41-F45 WeakPolarHBondContact OD1-CD2 3.34Å; D41-F45 WeakPolarHBondContact OD1-CE2 3.34Å |
| 42 | L | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.8 | -50.1 | 175.7 | 170.5 | 62.5 | 0 | 0 | 0 | 112 | A5 M7 P36 N38 S39 K44 F45 I46 V55 L66 I70 | A5-L42 HydrophobicContact CB-CD1 3.63Å; M7-L42 HydrophobicContact CE-CD2 4.49Å; M7-L42 HydrophobicContact CG-CD2 3.97Å; M7-L42 HydrophobicContact SD-CB 3.81Å; M7-L42 HydrophobicContact SD-CD2 3.57Å; M7-L42 VanDerWaalsContact SD-CD2 3.57Å; M7-L42 HydrophobicContact SD-CG 4.2Å; P36-L42 HydrophobicContact CB-CB 3.81Å; P36-L42 HydrophobicContact CG-CB 3.97Å; P36-L42 HydrophobicContact CG-CD1 3.94Å; N38-L42 PolarHBondContact O-N 3.05Å; S39-L42 PolarHBondContact O-N 3.34Å; L42-K44 VanDerWaalsContact C-N 3.29Å; L42-K44 PolarHBondContact O-N 3.26Å; L42-F45 WeakPolarHBondContact O-CB 3.32Å; L42-F45 PolarHBondContact O-N 3.14Å; L42-F45 VanDerWaalsContact O-N 3.08Å; L42-I46 HydrophobicContact CD1-CD1 3.78Å; L42-I46 HydrophobicContact CD1-CG1 4.01Å; L42-I46 HydrophobicContact CG-CD1 3.92Å; L42-I46 WeakPolarHBondContact O-CG1 3.43Å; L42-I46 PolarHBondContact O-N 3.11Å; L42-V55 HydrophobicContact CD1-CG1 4.16Å; L42-V55 HydrophobicContact CD1-CG2 4.12Å; L42-V55 HydrophobicContact CD2-CG1 3.59Å; L42-L66 HydrophobicContact CD2-CD1 3.83Å; L42-L66 HydrophobicContact CD2-CD2 3.92Å; L42-L66 HydrophobicContact CD2-CG 4.4Å; L42-I70 HydrophobicContact CD2-CD1 4.21Å |
| 43 | L | 94.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | -179.8 | -68.6 | 172.5 | 0 | 0 | 0 | 111.1 | S39 D41 I46 E47 L66 D69 I70 L73 | S39-L43 WeakPolarHBondContact O-CB 3.42Å; S39-L43 WeakPolarHBondContact O-CG 3.4Å; S39-L43 PolarHBondContact O-N 3.05Å; D41-L43 PolarHBondContact O-N 2.97Å; L43-I46 PolarHBondContact O-N 2.62Å; L43-E47 WeakPolarHBondContact O-CB 3.46Å; L43-E47 PolarHBondContact O-N 2.96Å; L43-L66 HydrophobicContact CD2-CD1 4.16Å; L43-L66 HydrophobicContact CG-CD1 4.28Å; L43-D69 HydrophobicContact CD1-CB 3.69Å; L43-D69 WeakPolarHBondContact CD1-OD2 3.39Å; L43-D69 HydrophobicContact CD2-CB 3.63Å; L43-D69 HydrophobicContact CG-CB 4.31Å; L43-I70 HydrophobicContact CD2-CG1 3.91Å; L43-L73 HydrophobicContact CB-CD1 4.33Å; L43-L73 HydrophobicContact CD2-CD1 3.7Å |
| 44 | K | 92.9 | Very high | 93.9 | Very high | 106 Ų | 106 | 60 Ų | 60 | 46% | 0.461 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 173.6 | -72.7 | -72.3 | 164.9 | -159 | 0 | 111.8 | V40 D41 L42 E47 H48 | V40-K44 VanDerWaalsContact O-CG 3.31Å; V40-K44 WeakPolarHBondContact O-CG 3.49Å; V40-K44 PolarHBondContact O-N 3.11Å; D41-K44 PolarHBondContact O-N 3.18Å; L42-K44 VanDerWaalsContact C-N 3.29Å; L42-K44 PolarHBondContact O-N 3.26Å; K44-E47 IonicContact NZ-OE2 2.68Å; K44-E47 PolarHBondContact NZ-OE2 2.94Å; K44-E47 PolarHBondContact O-N 3.47Å; K44-H48 PolarHBondContact O-N 3.49Å; K44-H48 PolarHBondContact O-ND1 3.03Å |
| 45 | F | 93.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 175.5 | -95.5 | -80.2 | 0 | 0 | 0 | 112 | I34 D41 L42 E47 H48 N49 I52 | I34-F45 HydrophobicContact CD1-CB 4.38Å; I34-F45 HydrophobicContact CD1-CD1 3.93Å; I34-F45 HydrophobicContact CD1-CG 4.2Å; D41-F45 WeakPolarHBondContact O-CD2 3.27Å; D41-F45 PolarHBondContact O-N 3.32Å; D41-F45 WeakPolarHBondContact OD1-CD2 3.34Å; D41-F45 WeakPolarHBondContact OD1-CE2 3.34Å; L42-F45 WeakPolarHBondContact O-CB 3.32Å; L42-F45 PolarHBondContact O-N 3.14Å; L42-F45 VanDerWaalsContact O-N 3.08Å; F45-E47 VanDerWaalsContact C-N 3.3Å; F45-E47 PolarHBondContact O-N 3.49Å; F45-H48 PolarHBondContact O-N 2.8Å; F45-N49 VanDerWaalsContact O-CB 3.26Å; F45-N49 WeakPolarHBondContact O-CB 3.38Å; F45-N49 PolarHBondContact O-N 3.19Å; F45-N49 PolarHBondContact O-ND2 3.39Å; F45-I52 HydrophobicContact CB-CD1 4.01Å |
| 46 | I | 93.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 176.2 | -66 | 169.4 | 0 | 0 | 0 | 110.4 | L42 L43 H48 N49 I52 V55 I70 L73 L77 | L42-I46 HydrophobicContact CD1-CD1 3.78Å; L42-I46 HydrophobicContact CD1-CG1 4.01Å; L42-I46 HydrophobicContact CG-CD1 3.92Å; L42-I46 WeakPolarHBondContact O-CG1 3.43Å; L42-I46 PolarHBondContact O-N 3.11Å; L43-I46 PolarHBondContact O-N 2.62Å; I46-H48 VanDerWaalsContact C-N 3.28Å; I46-H48 PolarHBondContact O-N 2.91Å; I46-N49 PolarHBondContact O-N 2.91Å; I46-I52 HydrophobicContact CG1-CD1 4.13Å; I46-I52 HydrophobicContact CG1-CG2 4.35Å; I46-V55 HydrophobicContact CD1-CG2 4.11Å; I46-I70 HydrophobicContact CD1-CD1 4.18Å; I46-I70 HydrophobicContact CD1-CG1 3.86Å; I46-I70 HydrophobicContact CD1-CG2 4.44Å; I46-L73 HydrophobicContact CB-CD1 4.06Å; I46-L73 HydrophobicContact CG2-CB 4.25Å; I46-L73 HydrophobicContact CG2-CD1 3.82Å; I46-L77 HydrophobicContact CD1-CD2 3.97Å; I46-L77 HydrophobicContact CG1-CD2 4.37Å; I46-L77 HydrophobicContact CG2-CD2 4.42Å |
| 47 | E | 90.2 | Very high | 93.8 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 20% | 0.201 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -26.6 | -175.5 | 125 | 166.8 | -83.5 | 0 | 0 | 114.2 | L43 K44 F45 R423 R427 | L43-E47 WeakPolarHBondContact O-CB 3.46Å; L43-E47 PolarHBondContact O-N 2.96Å; K44-E47 IonicContact NZ-OE2 2.68Å; K44-E47 PolarHBondContact NZ-OE2 2.94Å; K44-E47 PolarHBondContact O-N 3.47Å; F45-E47 VanDerWaalsContact C-N 3.3Å; F45-E47 PolarHBondContact O-N 3.49Å; E47-R423 IonicContact OE1-NH2 2.7Å; E47-R423 PolarHBondContact OE1-NH2 3.13Å; E47-R427 VanDerWaalsContact CD-NH2 3.27Å; E47-R427 PolarHBondContact O-NH1 2.85Å; E47-R427 VanDerWaalsContact O-NH1 3.11Å; E47-R427 PolarHBondContact O-NH2 3.18Å; E47-R427 IonicContact OE1-CZ 3.72Å; E47-R427 VanDerWaalsContact OE1-CZ 3.31Å; E47-R427 IonicContact OE1-NE 3.77Å; E47-R427 PolarHBondContact OE1-NE 3.33Å; E47-R427 IonicContact OE1-NH2 3.33Å; E47-R427 PolarHBondContact OE1-NH2 2.97Å |
| 48 | H | 88.6 | Confident | 93.9 | Very high | 127 Ų | 127 | 47.4 Ų | 47.4 | 59% | 0.588 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -102.5 | -16.3 | -179.7 | -63.4 | 94.7 | 0 | 0 | 0 | 113.9 | K44 F45 I46 | K44-H48 PolarHBondContact O-N 3.49Å; K44-H48 PolarHBondContact O-ND1 3.03Å; F45-H48 PolarHBondContact O-N 2.8Å; I46-H48 VanDerWaalsContact C-N 3.28Å; I46-H48 PolarHBondContact O-N 2.91Å |
| 49 | N | 93.5 | Very high | 93.9 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | trans | -126 | 85.5 | -174.1 | -60.2 | -85 | 0 | 0 | 0 | 110.9 | F45 I46 R51 I52 | F45-N49 VanDerWaalsContact O-CB 3.26Å; F45-N49 WeakPolarHBondContact O-CB 3.38Å; F45-N49 PolarHBondContact O-N 3.19Å; F45-N49 PolarHBondContact O-ND2 3.39Å; I46-N49 PolarHBondContact O-N 2.91Å; N49-R51 PolarHBondContact O-N 3.09Å; N49-I52 HydrophobicContact CB-CD1 3.96Å; N49-I52 HydrophobicContact CB-CG1 4.19Å; N49-I52 PolarHBondContact O-N 2.76Å; N49-I52 VanDerWaalsContact O-N 3.13Å | ||
| 50 | P | 92.8 | Very high | 93.6 | Very high | 99 Ų | 99 | 46.1 Ų | 46.1 | 64% | 0.643 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 0.4 | 179 | 28.7 | -36.5 | 0 | 0 | 0 | 113.9 | M1 | M1-P50 VanDerWaalsContact CE-O 3.23Å; M1-P50 WeakPolarHBondContact CE-O 3.5Å |
| 51 | R | 96.3 | Very high | 93.3 | Very high | 160 Ų | 160 | 45.3 Ų | 45.3 | 60% | 0.604 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.5 | 175.7 | -68.7 | -176.5 | 178.8 | 87.1 | 1.3 | 113.6 | M1 N2 I3 N49 C53 | M1-R51 VanDerWaalsContact SD-C 3.56Å; N2-R51 PolarHBondContact N-O 3.4Å; I3-R51 HydrophobicContact CD1-CB 3.88Å; I3-R51 HydrophobicContact CG1-CB 4.31Å; I3-R51 PolarHBondContact N-O 3.4Å; N49-R51 PolarHBondContact O-N 3.09Å; R51-C53 PolarHBondContact O-N 3.17Å |
| 52 | I | 96.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 123.7 | 169.9 | -66.4 | 167.2 | 0 | 0 | 0 | 108 | I3 I34 F45 I46 N49 L77 | I3-I52 HydrophobicContact CB-CG1 4.1Å; I3-I52 HydrophobicContact CG2-CG1 3.82Å; I3-I52 CarbonylContact O-C 3.55Å; I3-I52 WeakPolarHBondContact O-CA 3.47Å; I34-I52 HydrophobicContact CD1-CD1 4.02Å; I34-I52 HydrophobicContact CD1-CG1 4.4Å; F45-I52 HydrophobicContact CB-CD1 4.01Å; I46-I52 HydrophobicContact CG1-CD1 4.13Å; I46-I52 HydrophobicContact CG1-CG2 4.35Å; N49-I52 HydrophobicContact CB-CD1 3.96Å; N49-I52 HydrophobicContact CB-CG1 4.19Å; N49-I52 PolarHBondContact O-N 2.76Å; N49-I52 VanDerWaalsContact O-N 3.13Å; I52-L77 HydrophobicContact CG2-CD1 4.38Å; I52-L77 HydrophobicContact CG2-CD2 4.47Å; I52-L77 WeakPolarHBondContact O-CD1 3.28Å |
| 53 | C | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 7.7 | -174.5 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | M1 I3 R51 P78 T121 Y124 | M1-C53 HydrophobicContact CG-CB 3.67Å; M1-C53 HydrophobicContact SD-CB 3.84Å; I3-C53 PolarHBondContact O-N 3Å; I3-C53 PolarHBondContact O-SG 3.16Å; I3-C53 VanDerWaalsContact O-SG 3.34Å; R51-C53 PolarHBondContact O-N 3.17Å; C53-P78 WeakPolarHBondContact O-CD 3.3Å; C53-T121 HydrophobicContact CB-CG2 3.98Å; C53-Y124 HydrophobicContact CB-CD1 4.15Å; C53-Y124 HydrophobicContact CB-CE1 4.08Å |
| 54 | G | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.2 | 149.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I4 A5 P78 | I4-G54 WeakPolarHBondContact CA-O 3.41Å; A5-G54 PolarHBondContact N-O 3.14Å; G54-P78 WeakPolarHBondContact CA-O 3.18Å |
| 55 | V | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122.5 | 173.7 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | A5 M7 L42 I46 F57 I70 L77 P78 L79 Y80 | A5-V55 CarbonylContact O-C 3.57Å; A5-V55 WeakPolarHBondContact O-CA 3.39Å; M7-V55 HydrophobicContact CG-CG1 4.39Å; L42-V55 HydrophobicContact CD1-CG1 4.16Å; L42-V55 HydrophobicContact CD1-CG2 4.12Å; L42-V55 HydrophobicContact CD2-CG1 3.59Å; I46-V55 HydrophobicContact CD1-CG2 4.11Å; V55-F57 HydrophobicContact CG1-CD1 4.11Å; V55-I70 HydrophobicContact CG1-CD1 4.47Å; V55-I70 HydrophobicContact CG2-CD1 4.31Å; V55-L77 HydrophobicContact CG2-CD2 3.91Å; V55-P78 PolarHBondContact N-O 3.43Å; V55-P78 VanDerWaalsContact N-O 3.13Å; V55-L79 HydrophobicContact CB-CD2 3.94Å; V55-L79 HydrophobicContact CG2-CD2 4.27Å; V55-Y80 PolarHBondContact O-N 3.09Å |
| 56 | I | 95.8 | Very high | 90 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130 | 174.4 | -58.3 | 174.2 | 0 | 0 | 0 | 108.3 | I4 A5 I6 M7 I19 L22 L26 Y80 F82 M117 | I4-I56 HydrophobicContact CG2-CD1 3.65Å; I4-I56 HydrophobicContact CG2-CG1 3.82Å; A5-I56 PolarHBondContact O-N 3.43Å; I6-I56 HydrophobicContact CD1-CD1 4.15Å; I6-I56 HydrophobicContact CG1-CB 4.17Å; I6-I56 HydrophobicContact CG1-CD1 4Å; I6-I56 HydrophobicContact CG1-CG1 4.47Å; I6-I56 HydrophobicContact CG2-CB 4.38Å; I6-I56 HydrophobicContact CG2-CG2 4.37Å; M7-I56 PolarHBondContact N-O 3.4Å; I19-I56 HydrophobicContact CD1-CG2 4.11Å; L22-I56 HydrophobicContact CD2-CD1 3.9Å; L26-I56 HydrophobicContact CD1-CD1 3.75Å; I56-Y80 WeakPolarHBondContact CA-O 3.42Å; I56-Y80 HydrophobicContact CG1-CD2 3.78Å; I56-Y80 HydrophobicContact CG1-CG 4.37Å; I56-F82 HydrophobicContact CG2-CD2 3.78Å; I56-F82 HydrophobicContact CG2-CE2 3.61Å; I56-M117 HydrophobicContact CD1-CE 3.65Å; I56-M117 HydrophobicContact CD1-SD 3.72Å; I56-M117 HydrophobicContact CG1-CE 3.78Å; I56-M117 HydrophobicContact CG1-SD 4.26Å |
| 57 | F | 94.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 158.9 | 179.1 | 61.6 | -78.8 | 0 | 0 | 0 | 111.4 | M7 V55 W59 Y62 L79 Y80 A81 F82 L100 | M7-F57 HydrophobicContact CB-CB 3.74Å; M7-F57 HydrophobicContact CG-CB 3.91Å; V55-F57 HydrophobicContact CG1-CD1 4.11Å; F57-W59 AromaticContact CE2-CE3 3.93Å; F57-W59 HydrophobicContact CE2-CE3 3.93Å; F57-W59 HydrophobicContact CE2-CZ3 4.43Å; F57-W59 HydrophobicContact CZ-CE3 4.27Å; F57-W59 HydrophobicContact CZ-CZ3 4.48Å; F57-Y62 HydrophobicContact CB-CD2 4.17Å; F57-L79 HydrophobicContact CE1-CB 3.95Å; F57-L79 HydrophobicContact CE1-CD2 4.25Å; F57-L79 HydrophobicContact CZ-CB 4.42Å; F57-Y80 PolarHBondContact N-O 3.18Å; F57-Y80 VanDerWaalsContact N-O 3.11Å; F57-A81 HydrophobicContact CE1-CB 4.38Å; F57-A81 HydrophobicContact CE2-CB 4.09Å; F57-A81 HydrophobicContact CZ-CB 3.88Å; F57-A81 WeakPolarHBondContact O-CA 3.36Å; F57-F82 PolarHBondContact O-N 3.46Å; F57-L100 HydrophobicContact CZ-CD1 4.22Å |
| 58 | D | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.8 | 167 | -177.9 | -78.5 | 0 | 0 | 0 | 109.8 | K15 D60 E61 Y62 N84 Y105 | K15-D58 WeakPolarHBondContact CE-OD2 3.47Å; K15-D58 IonicContact NZ-OD1 2.84Å; K15-D58 IonicContact NZ-OD2 2.76Å; K15-D58 PolarHBondContact NZ-OD2 2.8Å; D58-D60 VanDerWaalsContact C-N 3.31Å; D58-D60 PolarHBondContact O-N 3.04Å; D58-D60 WeakPolarHBondContact OD1-CA 3.42Å; D58-D60 PolarHBondContact OD1-N 3.22Å; D58-E61 HydrophobicContact CB-CB 4.02Å; D58-E61 HydrophobicContact CB-CG 4.08Å; D58-E61 PolarHBondContact O-N 3.49Å; D58-E61 PolarHBondContact OD1-N 3.06Å; D58-Y62 PolarHBondContact O-N 3.1Å; D58-Y62 VanDerWaalsContact O-N 3.12Å; D58-N84 PolarHBondContact OD1-ND2 2.88Å; D58-N84 PolarHBondContact OD2-ND2 2.88Å; D58-Y105 VanDerWaalsContact CB-OH 3.29Å; D58-Y105 WeakPolarHBondContact CB-OH 3.16Å; D58-Y105 WeakPolarHBondContact OD2-CE2 3.43Å; D58-Y105 PolarHBondContact OD2-OH 3.35Å |
| 59 | W | 90.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -38.7 | -175.2 | -179.7 | -106.3 | 0 | 0 | 0 | 113.2 | F57 A81 F82 I83 T88 M89 V93 L100 F102 | F57-W59 AromaticContact CE2-CE3 3.93Å; F57-W59 HydrophobicContact CE2-CE3 3.93Å; F57-W59 HydrophobicContact CE2-CZ3 4.43Å; F57-W59 HydrophobicContact CZ-CE3 4.27Å; F57-W59 HydrophobicContact CZ-CZ3 4.48Å; W59-A81 HydrophobicContact CB-CB 4.15Å; W59-A81 HydrophobicContact CD2-CB 4.31Å; W59-A81 HydrophobicContact CE3-CB 3.61Å; W59-A81 HydrophobicContact CZ3-CB 4.43Å; W59-F82 WeakPolarHBondContact CB-O 3.12Å; W59-F82 PolarHBondContact N-O 2.8Å; W59-I83 HydrophobicContact CB-CG2 4.19Å; W59-I83 HydrophobicContact CG-CG2 4.42Å; W59-T88 PolarHBondContact NE1-O 3.46Å; W59-M89 HydrophobicContact CZ2-CG 4.32Å; W59-V93 HydrophobicContact CH2-CG2 4.01Å; W59-V93 HydrophobicContact CZ2-CG2 4.3Å; W59-L100 HydrophobicContact CE3-CD1 4.39Å; W59-L100 HydrophobicContact CE3-CD2 4.4Å; W59-L100 HydrophobicContact CH2-CD2 3.66Å; W59-L100 HydrophobicContact CZ3-CD1 3.92Å; W59-L100 HydrophobicContact CZ3-CD2 3.49Å; W59-L100 VanDerWaalsContact CZ3-CD2 3.49Å; W59-L100 HydrophobicContact CZ3-CG 4.35Å; W59-F102 AromaticContact CD2-CE1 3.94Å; W59-F102 HydrophobicContact CD2-CE1 3.94Å; W59-F102 AromaticContact CE3-CE1 3.98Å; W59-F102 HydrophobicContact CE3-CE1 3.98Å; W59-F102 HydrophobicContact CG-CE1 4.43Å; W59-F102 HydrophobicContact CZ3-CE1 4.32Å |
| 60 | D | 87.2 | Confident | 89.7 | Confident | 74 Ų | 74 | 38.9 Ų | 38.9 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -26.3 | -175 | -58.7 | -34.9 | 0 | 0 | 0 | 111.5 | D58 N84 S87 | D58-D60 VanDerWaalsContact C-N 3.31Å; D58-D60 PolarHBondContact O-N 3.04Å; D58-D60 WeakPolarHBondContact OD1-CA 3.42Å; D58-D60 PolarHBondContact OD1-N 3.22Å; D60-N84 VanDerWaalsContact OD2-CB 3.29Å; D60-N84 WeakPolarHBondContact OD2-CB 3.33Å; D60-N84 PolarHBondContact OD2-ND2 3.25Å; D60-S87 WeakPolarHBondContact OD1-CA 3.16Å; D60-S87 WeakPolarHBondContact OD1-CB 3.47Å; D60-S87 PolarHBondContact OD1-OG 2.98Å; D60-S87 PolarHBondContact OD2-OG 3.33Å |
| 61 | E | 85.9 | Confident | 89.5 | Confident | 84 Ų | 84 | 35.5 Ų | 35.5 | 39% | 0.393 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -39.2 | 178.8 | -67.3 | 175 | -158.1 | 0 | 0 | 113.4 | H10 K15 D58 | H10-E61 IonicContact CE1-OE2 3.9Å; H10-E61 IonicContact CG-OE1 3.14Å; H10-E61 IonicContact CG-OE2 2.7Å; H10-E61 VanDerWaalsContact ND1-CD 3.34Å; H10-E61 IonicContact ND1-OE1 2.9Å; H10-E61 PolarHBondContact ND1-OE1 2.88Å; H10-E61 IonicContact ND1-OE2 3.91Å; H10-E61 PolarHBondContact ND1-OE2 3.5Å; K15-E61 IonicContact NZ-OE1 3.87Å; K15-E61 PolarHBondContact NZ-OE1 3.49Å; D58-E61 HydrophobicContact CB-CB 4.02Å; D58-E61 HydrophobicContact CB-CG 4.08Å; D58-E61 PolarHBondContact O-N 3.49Å; D58-E61 PolarHBondContact OD1-N 3.06Å |
| 62 | Y | 80.1 | Confident | 89.1 | Confident | 51 Ų | 51 | 33.2 Ų | 33.2 | 20% | 0.2 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -117.9 | 45.9 | -171.9 | -62.7 | -79.5 | 0 | 0 | 0 | 112.8 | M7 F57 D58 L66 | M7-Y62 HydrophobicContact CB-CD2 3.94Å; M7-Y62 HydrophobicContact CB-CE2 3.73Å; M7-Y62 HydrophobicContact CB-CG 4.47Å; M7-Y62 HydrophobicContact CE-CD1 3.57Å; M7-Y62 HydrophobicContact CE-CE1 3.28Å; M7-Y62 HydrophobicContact CE-CE2 4.33Å; M7-Y62 HydrophobicContact CE-CG 4.21Å; F57-Y62 HydrophobicContact CB-CD2 4.17Å; D58-Y62 PolarHBondContact O-N 3.1Å; D58-Y62 VanDerWaalsContact O-N 3.12Å; Y62-L66 HydrophobicContact CG-CD2 4.45Å; Y62-L66 WeakPolarHBondContact O-CB 3.35Å |
| 63 | S | 73.2 | Confident | 88.9 | Confident | 58 Ų | 58 | 34 Ų | 34 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | trans | -46.3 | 177.4 | -173.5 | 71.4 | 0 | 0 | 0 | 0 | 117.5 | D65 L66 | S63-D65 PolarHBondContact O-N 3.32Å; S63-L66 PolarHBondContact O-N 2.95Å | ||
| 64 | L | 79.3 | Confident | 88.6 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -11.2 | -48.6 | 173.2 | -76.6 | 153.2 | 0 | 0 | 0 | 119 | L66 C67 S68 D90 S92 V93 M96 | L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 3.26Å; L64-C67 PolarHBondContact O-N 3.07Å; L64-S68 WeakPolarHBondContact O-CB 3.33Å; L64-S68 PolarHBondContact O-N 3.41Å; L64-D90 HydrophobicContact CD1-CB 3.35Å; L64-D90 WeakPolarHBondContact CD1-OD2 3.21Å; L64-D90 HydrophobicContact CD2-CB 4.11Å; L64-D90 HydrophobicContact CG-CB 4.17Å; L64-S92 WeakPolarHBondContact CD2-OG 3.32Å; L64-V93 HydrophobicContact CD2-CG2 3.43Å; L64-V93 VanDerWaalsContact CD2-CG2 3.43Å; L64-V93 HydrophobicContact CG-CG2 4.44Å; L64-M96 HydrophobicContact CD2-CE 3.85Å |
| 65 | D | 82.3 | Confident | 88.4 | Confident | 124 Ų | 124 | 36.6 Ų | 36.6 | 66% | 0.663 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -58.5 | -44.9 | -179.8 | -68.7 | -19.1 | 0 | 0 | 0 | 111.5 | S63 C67 S68 D69 | S63-D65 PolarHBondContact O-N 3.32Å; D65-C67 PolarHBondContact O-N 3.16Å; D65-S68 PolarHBondContact O-N 3.43Å; D65-D69 WeakPolarHBondContact O-CB 3.42Å; D65-D69 VanDerWaalsContact O-CG 3.31Å; D65-D69 PolarHBondContact O-N 2.71Å |
| 66 | L | 87.4 | Confident | 88.1 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 176.9 | 177.3 | 63.3 | 0 | 0 | 0 | 111.1 | L42 L43 Y62 S63 L64 S68 D69 I70 | L42-L66 HydrophobicContact CD2-CD1 3.83Å; L42-L66 HydrophobicContact CD2-CD2 3.92Å; L42-L66 HydrophobicContact CD2-CG 4.4Å; L43-L66 HydrophobicContact CD2-CD1 4.16Å; L43-L66 HydrophobicContact CG-CD1 4.28Å; Y62-L66 HydrophobicContact CG-CD2 4.45Å; Y62-L66 WeakPolarHBondContact O-CB 3.35Å; S63-L66 PolarHBondContact O-N 2.95Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-L66 PolarHBondContact O-N 3.26Å; L66-S68 VanDerWaalsContact C-N 3.35Å; L66-D69 PolarHBondContact O-N 2.77Å; L66-I70 HydrophobicContact CD1-CD1 3.9Å; L66-I70 HydrophobicContact CD1-CG1 4.09Å; L66-I70 HydrophobicContact CD2-CD1 4.41Å; L66-I70 HydrophobicContact CG-CD1 3.83Å; L66-I70 HydrophobicContact CG-CG1 4.39Å; L66-I70 WeakPolarHBondContact O-CB 3.45Å; L66-I70 VanDerWaalsContact O-CG1 3.26Å; L66-I70 WeakPolarHBondContact O-CG1 3.46Å; L66-I70 PolarHBondContact O-N 3.28Å |
| 67 | C | 87.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 178 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | L64 D65 I70 N71 L79 M98 | L64-C67 PolarHBondContact O-N 3.07Å; D65-C67 PolarHBondContact O-N 3.16Å; C67-I70 PolarHBondContact O-N 3.37Å; C67-N71 VanDerWaalsContact O-CB 3.22Å; C67-N71 WeakPolarHBondContact O-CB 3.44Å; C67-N71 PolarHBondContact O-N 2.77Å; C67-L79 HydrophobicContact CB-CD1 4.27Å; C67-M98 HydrophobicContact CB-CE 4.07Å; C67-M98 HydrophobicContact CB-SD 3.68Å |
| 68 | S | 87.6 | Confident | 88.1 | Confident | 37 Ų | 37 | 40.4 Ų | 40.4 | 26% | 0.259 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 174.6 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | L64 D65 L66 I70 N71 Q72 | L64-S68 WeakPolarHBondContact O-CB 3.33Å; L64-S68 PolarHBondContact O-N 3.41Å; D65-S68 PolarHBondContact O-N 3.43Å; L66-S68 VanDerWaalsContact C-N 3.35Å; S68-I70 PolarHBondContact O-N 3.21Å; S68-N71 PolarHBondContact O-N 3.08Å; S68-Q72 WeakPolarHBondContact O-CG 3.49Å; S68-Q72 PolarHBondContact O-N 3.32Å |
| 69 | D | 90.9 | Very high | 88.2 | Confident | 65 Ų | 65 | 40.6 Ų | 40.6 | 35% | 0.348 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 178.7 | -73.2 | -17.9 | 0 | 0 | 0 | 111.5 | L43 D65 L66 Q72 L73 | L43-D69 HydrophobicContact CD1-CB 3.69Å; L43-D69 WeakPolarHBondContact CD1-OD2 3.39Å; L43-D69 HydrophobicContact CD2-CB 3.63Å; L43-D69 HydrophobicContact CG-CB 4.31Å; D65-D69 WeakPolarHBondContact O-CB 3.42Å; D65-D69 VanDerWaalsContact O-CG 3.31Å; D65-D69 PolarHBondContact O-N 2.71Å; L66-D69 PolarHBondContact O-N 2.77Å; D69-Q72 PolarHBondContact O-N 3.36Å; D69-L73 WeakPolarHBondContact O-CG 3.41Å; D69-L73 PolarHBondContact O-N 3.13Å |
| 70 | I | 92.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 175.2 | -66.3 | 170.1 | 0 | 0 | 0 | 110.8 | L42 L43 I46 V55 L66 C67 S68 Q72 L73 N74 L77 L79 | L42-I70 HydrophobicContact CD2-CD1 4.21Å; L43-I70 HydrophobicContact CD2-CG1 3.91Å; I46-I70 HydrophobicContact CD1-CD1 4.18Å; I46-I70 HydrophobicContact CD1-CG1 3.86Å; I46-I70 HydrophobicContact CD1-CG2 4.44Å; V55-I70 HydrophobicContact CG1-CD1 4.47Å; V55-I70 HydrophobicContact CG2-CD1 4.31Å; L66-I70 HydrophobicContact CD1-CD1 3.9Å; L66-I70 HydrophobicContact CD1-CG1 4.09Å; L66-I70 HydrophobicContact CD2-CD1 4.41Å; L66-I70 HydrophobicContact CG-CD1 3.83Å; L66-I70 HydrophobicContact CG-CG1 4.39Å; L66-I70 WeakPolarHBondContact O-CB 3.45Å; L66-I70 VanDerWaalsContact O-CG1 3.26Å; L66-I70 WeakPolarHBondContact O-CG1 3.46Å; L66-I70 PolarHBondContact O-N 3.28Å; C67-I70 PolarHBondContact O-N 3.37Å; S68-I70 PolarHBondContact O-N 3.21Å; I70-Q72 VanDerWaalsContact C-N 3.26Å; I70-Q72 PolarHBondContact O-N 3.12Å; I70-L73 CarbonylContact O-C 3.54Å; I70-L73 WeakPolarHBondContact O-CA 3.48Å; I70-L73 WeakPolarHBondContact O-CB 3.31Å; I70-L73 PolarHBondContact O-N 3.47Å; I70-N74 CarbonylContact O-C 3.59Å; I70-N74 PolarHBondContact O-N 3.27Å; I70-L77 HydrophobicContact CG2-CB 4.33Å; I70-L77 HydrophobicContact CG2-CD2 3.81Å; I70-L79 HydrophobicContact CD1-CD2 3.7Å; I70-L79 HydrophobicContact CG2-CD2 4.05Å |
| 71 | N | 89.6 | Confident | 88.7 | Confident | 28 Ų | 28 | 36.5 Ų | 36.5 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -34.1 | 178.7 | 179.4 | 69.4 | 0 | 0 | 0 | 112.3 | C67 S68 L73 E75 R97 M98 N419 | C67-N71 VanDerWaalsContact O-CB 3.22Å; C67-N71 WeakPolarHBondContact O-CB 3.44Å; C67-N71 PolarHBondContact O-N 2.77Å; S68-N71 PolarHBondContact O-N 3.08Å; N71-L73 VanDerWaalsContact C-N 3.32Å; N71-E75 PolarHBondContact O-N 2.9Å; N71-E75 WeakPolarHBondContact OD1-CB 3.49Å; N71-R97 PolarHBondContact OD1-O 2.95Å; N71-R97 VanDerWaalsContact OD1-O 3.07Å; N71-M98 HydrophobicContact CB-CG 4.05Å; N71-M98 HydrophobicContact CB-SD 4.14Å; N71-N419 PolarHBondContact O-ND2 3.48Å |
| 72 | Q | 88.6 | Confident | 89.1 | Confident | 111 Ų | 111 | 32.6 Ų | 32.6 | 52% | 0.519 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -69.3 | -28.8 | 171.8 | -69.8 | 179.6 | 22.5 | 0 | 0 | 112.9 | S68 D69 I70 N419 R423 | S68-Q72 WeakPolarHBondContact O-CG 3.49Å; S68-Q72 PolarHBondContact O-N 3.32Å; D69-Q72 PolarHBondContact O-N 3.36Å; I70-Q72 VanDerWaalsContact C-N 3.26Å; I70-Q72 PolarHBondContact O-N 3.12Å; Q72-N419 WeakPolarHBondContact O-CB 3.43Å; Q72-R423 WeakPolarHBondContact O-CD 3.34Å |
| 73 | L | 91 | Very high | 89.6 | Confident | 24 Ų | 24 | 32.7 Ų | 32.7 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -78.8 | -47.8 | 174.8 | -65.3 | -178.3 | 0 | 0 | 0 | 112.2 | L43 I46 D69 I70 N71 | L43-L73 HydrophobicContact CB-CD1 4.33Å; L43-L73 HydrophobicContact CD2-CD1 3.7Å; I46-L73 HydrophobicContact CB-CD1 4.06Å; I46-L73 HydrophobicContact CG2-CB 4.25Å; I46-L73 HydrophobicContact CG2-CD1 3.82Å; D69-L73 WeakPolarHBondContact O-CG 3.41Å; D69-L73 PolarHBondContact O-N 3.13Å; I70-L73 CarbonylContact O-C 3.54Å; I70-L73 WeakPolarHBondContact O-CA 3.48Å; I70-L73 WeakPolarHBondContact O-CB 3.31Å; I70-L73 PolarHBondContact O-N 3.47Å; N71-L73 VanDerWaalsContact C-N 3.32Å |
| 74 | N | 91.9 | Very high | 90.4 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | trans | -159.1 | 99.3 | -174.5 | -175.3 | 0.2 | 0 | 0 | 0 | 110.4 | I70 Y76 L77 Y124 P420 | I70-N74 CarbonylContact O-C 3.59Å; I70-N74 PolarHBondContact O-N 3.27Å; N74-Y76 PolarHBondContact O-N 3.17Å; N74-Y76 VanDerWaalsContact O-N 3.16Å; N74-Y76 WeakPolarHBondContact OD1-CB 3.31Å; N74-Y76 PolarHBondContact OD1-N 3.42Å; N74-Y76 VanDerWaalsContact OD1-N 3.1Å; N74-L77 HydrophobicContact CB-CB 4.17Å; N74-L77 PolarHBondContact O-N 2.88Å; N74-Y124 PolarHBondContact ND2-OH 3.23Å; N74-P420 HydrophobicContact CB-CG 4.34Å | ||
| 75 | E | 90.7 | Very high | 90.6 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.4 | 178.2 | 65.9 | -91.4 | -144.4 | 0 | 0 | 113.7 | N71 R97 G418 N419 P420 | N71-E75 PolarHBondContact O-N 2.9Å; N71-E75 WeakPolarHBondContact OD1-CB 3.49Å; E75-R97 VanDerWaalsContact O-O 3.06Å; E75-G418 WeakPolarHBondContact OE1-CA 3.47Å; E75-N419 PolarHBondContact OE1-N 3.33Å; E75-N419 VanDerWaalsContact OE2-CB 3.24Å; E75-N419 WeakPolarHBondContact OE2-CB 3.43Å; E75-N419 PolarHBondContact OE2-N 3.35Å; E75-P420 WeakPolarHBondContact OE2-CD 3.39Å |
| 76 | Y | 91.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 38.4 Ų | 38.4 | 31% | 0.306 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -11.9 | -178 | -52.6 | -76.6 | 0 | 0 | 0 | 113.3 | N74 P78 Y124 I128 | N74-Y76 PolarHBondContact O-N 3.17Å; N74-Y76 VanDerWaalsContact O-N 3.16Å; N74-Y76 WeakPolarHBondContact OD1-CB 3.31Å; N74-Y76 PolarHBondContact OD1-N 3.42Å; N74-Y76 VanDerWaalsContact OD1-N 3.1Å; Y76-P78 WeakPolarHBondContact O-CD 3.34Å; Y76-Y124 WeakPolarHBondContact O-CD2 3.26Å; Y76-I128 HydrophobicContact CD2-CG2 4.36Å; Y76-I128 HydrophobicContact CG-CG2 4.07Å |
| 77 | L | 94.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -67.8 | 124.9 | -171.9 | -173.9 | 64.9 | 0 | 0 | 0 | 111.4 | I46 I52 V55 I70 N74 L79 | I46-L77 HydrophobicContact CD1-CD2 3.97Å; I46-L77 HydrophobicContact CG1-CD2 4.37Å; I46-L77 HydrophobicContact CG2-CD2 4.42Å; I52-L77 HydrophobicContact CG2-CD1 4.38Å; I52-L77 HydrophobicContact CG2-CD2 4.47Å; I52-L77 WeakPolarHBondContact O-CD1 3.28Å; V55-L77 HydrophobicContact CG2-CD2 3.91Å; I70-L77 HydrophobicContact CG2-CB 4.33Å; I70-L77 HydrophobicContact CG2-CD2 3.81Å; N74-L77 HydrophobicContact CB-CB 4.17Å; N74-L77 PolarHBondContact O-N 2.88Å; L77-L79 PolarHBondContact O-N 2.88Å | ||
| 78 | P | 95.5 | Very high | 90.2 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | trans | -61.9 | 129.5 | 174.7 | -26.5 | 36.6 | 0 | 0 | 0 | 113 | C53 G54 V55 Y76 Y80 A99 Y124 | C53-P78 WeakPolarHBondContact O-CD 3.3Å; G54-P78 WeakPolarHBondContact CA-O 3.18Å; V55-P78 PolarHBondContact N-O 3.43Å; V55-P78 VanDerWaalsContact N-O 3.13Å; Y76-P78 WeakPolarHBondContact O-CD 3.34Å; P78-Y80 HydrophobicContact CB-CE1 3.81Å; P78-Y80 HydrophobicContact CB-CE2 4.39Å; P78-Y80 WeakPolarHBondContact CB-OH 3.38Å; P78-A99 WeakPolarHBondContact CA-O 3.43Å; P78-Y124 HydrophobicContact CG-CG 4Å | ||
| 79 | L | 94.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.9 | 175.6 | -66.1 | -172.9 | 0 | 0 | 0 | 108.9 | V55 F57 C67 I70 L77 M98 A99 L100 W101 | V55-L79 HydrophobicContact CB-CD2 3.94Å; V55-L79 HydrophobicContact CG2-CD2 4.27Å; F57-L79 HydrophobicContact CE1-CB 3.95Å; F57-L79 HydrophobicContact CE1-CD2 4.25Å; F57-L79 HydrophobicContact CZ-CB 4.42Å; C67-L79 HydrophobicContact CB-CD1 4.27Å; I70-L79 HydrophobicContact CD1-CD2 3.7Å; I70-L79 HydrophobicContact CG2-CD2 4.05Å; L77-L79 PolarHBondContact O-N 2.88Å; L79-M98 HydrophobicContact CD1-SD 4.3Å; L79-A99 PolarHBondContact N-O 2.84Å; L79-L100 HydrophobicContact CB-CD1 3.74Å; L79-W101 PolarHBondContact O-N 3.11Å |
| 80 | Y | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 92.8 | -177.2 | -52.6 | -52 | 0 | 0 | 0 | 109.7 | V55 I56 F57 P78 W101 F103 M117 Y120 T121 | V55-Y80 PolarHBondContact O-N 3.09Å; I56-Y80 WeakPolarHBondContact CA-O 3.42Å; I56-Y80 HydrophobicContact CG1-CD2 3.78Å; I56-Y80 HydrophobicContact CG1-CG 4.37Å; F57-Y80 PolarHBondContact N-O 3.18Å; F57-Y80 VanDerWaalsContact N-O 3.11Å; P78-Y80 HydrophobicContact CB-CE1 3.81Å; P78-Y80 HydrophobicContact CB-CE2 4.39Å; P78-Y80 WeakPolarHBondContact CB-OH 3.38Å; Y80-W101 HydrophobicContact CD1-CB 4.23Å; Y80-W101 AromaticContact CD1-CD1 3.97Å; Y80-W101 HydrophobicContact CD1-CG 4.47Å; Y80-W101 AromaticContact CE1-CD1 3.84Å; Y80-F103 AromaticContact CD1-CE2 3.84Å; Y80-F103 HydrophobicContact CD1-CE2 3.84Å; Y80-F103 HydrophobicContact CG-CE2 4.16Å; Y80-M117 HydrophobicContact CD1-CE 4.37Å; Y80-M117 HydrophobicContact CD1-CG 4.14Å; Y80-M117 HydrophobicContact CD2-CE 3.88Å; Y80-M117 HydrophobicContact CD2-CG 4.1Å; Y80-M117 HydrophobicContact CD2-SD 4.04Å; Y80-M117 HydrophobicContact CE1-CB 4.47Å; Y80-M117 HydrophobicContact CE1-CG 4.06Å; Y80-M117 HydrophobicContact CE2-CB 4.25Å; Y80-M117 HydrophobicContact CE2-CG 3.99Å; Y80-M117 HydrophobicContact CE2-SD 4.28Å; Y80-M117 HydrophobicContact CG-CE 3.71Å; Y80-M117 HydrophobicContact CG-CG 4.17Å; Y80-M117 HydrophobicContact CG-SD 4.37Å; Y80-M117 PolarHBondContact OH-O 3.35Å; Y80-Y120 HydrophobicContact CD1-CD2 4.38Å; Y80-Y120 AromaticContact CE1-CD2 3.75Å; Y80-Y120 HydrophobicContact CE1-CD2 3.75Å; Y80-Y120 HydrophobicContact CE1-CG 4.28Å; Y80-T121 PolarHBondContact OH-OG1 3.4Å |
| 81 | A | 93.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 122.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F57 W59 L100 W101 F102 F103 | F57-A81 HydrophobicContact CE1-CB 4.38Å; F57-A81 HydrophobicContact CE2-CB 4.09Å; F57-A81 HydrophobicContact CZ-CB 3.88Å; F57-A81 WeakPolarHBondContact O-CA 3.36Å; W59-A81 HydrophobicContact CB-CB 4.15Å; W59-A81 HydrophobicContact CD2-CB 4.31Å; W59-A81 HydrophobicContact CE3-CB 3.61Å; W59-A81 HydrophobicContact CZ3-CB 4.43Å; A81-L100 HydrophobicContact CB-CD1 3.8Å; A81-W101 PolarHBondContact N-O 3.04Å; A81-F102 HydrophobicContact CB-CD1 3.77Å; A81-F102 HydrophobicContact CB-CE1 3.96Å; A81-F102 CarbonylContact O-C 3.54Å; A81-F102 VanDerWaalsContact O-CA 3.24Å; A81-F102 WeakPolarHBondContact O-CA 3.38Å; A81-F103 PolarHBondContact O-N 3.4Å |
| 82 | F | 94.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 128.8 | 170.1 | -81.8 | -105.1 | 0 | 0 | 0 | 110 | I19 L22 I56 F57 W59 F103 E104 Y105 I113 M117 | I19-F82 HydrophobicContact CD1-CD1 4.36Å; I19-F82 HydrophobicContact CD1-CD2 4.14Å; I19-F82 HydrophobicContact CD1-CE1 4.16Å; I19-F82 HydrophobicContact CD1-CE2 3.95Å; I19-F82 HydrophobicContact CD1-CG 4.36Å; I19-F82 HydrophobicContact CD1-CZ 3.97Å; L22-F82 HydrophobicContact CD2-CE2 4.01Å; L22-F82 HydrophobicContact CD2-CZ 3.67Å; I56-F82 HydrophobicContact CG2-CD2 3.78Å; I56-F82 HydrophobicContact CG2-CE2 3.61Å; F57-F82 PolarHBondContact O-N 3.46Å; W59-F82 WeakPolarHBondContact CB-O 3.12Å; W59-F82 PolarHBondContact N-O 2.8Å; F82-F103 CarbonylContact C-O 3.55Å; F82-F103 VanDerWaalsContact CA-O 3.29Å; F82-F103 WeakPolarHBondContact CA-O 3.43Å; F82-F103 HydrophobicContact CD1-CB 4.06Å; F82-F103 HydrophobicContact CD2-CB 4.27Å; F82-F103 HydrophobicContact CE1-CB 3.78Å; F82-F103 HydrophobicContact CE2-CB 3.98Å; F82-F103 HydrophobicContact CE2-CD2 4.22Å; F82-F103 HydrophobicContact CE2-CG 4.45Å; F82-F103 HydrophobicContact CG-CB 4.29Å; F82-F103 HydrophobicContact CZ-CB 3.72Å; F82-F103 HydrophobicContact CZ-CG 4.34Å; F82-E104 WeakPolarHBondContact CE1-O 3.28Å; F82-Y105 HydrophobicContact CB-CD1 4.48Å; F82-Y105 HydrophobicContact CB-CD2 4.16Å; F82-Y105 HydrophobicContact CB-CE1 3.86Å; F82-Y105 HydrophobicContact CB-CE2 3.49Å; F82-Y105 VanDerWaalsContact CB-CE2 3.49Å; F82-Y105 WeakPolarHBondContact CB-OH 3.28Å; F82-Y105 AromaticContact CD1-CD1 3.64Å; F82-Y105 HydrophobicContact CD1-CD1 3.64Å; F82-Y105 HydrophobicContact CD1-CD2 4.3Å; F82-Y105 AromaticContact CD1-CE1 3.68Å; F82-Y105 HydrophobicContact CD1-CE1 3.68Å; F82-Y105 HydrophobicContact CD1-CE2 4.32Å; F82-Y105 AromaticContact CD1-CG 3.98Å; F82-Y105 HydrophobicContact CD1-CG 3.98Å; F82-Y105 HydrophobicContact CE1-CD1 4.3Å; F82-Y105 HydrophobicContact CG-CD1 4.33Å; F82-Y105 AromaticContact CG-CE1 3.9Å; F82-Y105 HydrophobicContact CG-CE1 3.9Å; F82-Y105 HydrophobicContact CG-CE2 4.33Å; F82-Y105 AromaticContact CG-CZ 3.9Å; F82-I113 HydrophobicContact CE1-CD1 4.23Å; F82-I113 HydrophobicContact CZ-CD1 4.23Å; F82-I113 HydrophobicContact CZ-CG2 4.33Å; F82-M117 HydrophobicContact CE2-CE 4.18Å |
| 83 | I | 92 | Very high | 85.8 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 28% | 0.277 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 149.3 | -174 | 56.9 | 169 | 0 | 0 | 0 | 112.3 | W59 F102 F103 E104 | W59-I83 HydrophobicContact CB-CG2 4.19Å; W59-I83 HydrophobicContact CG-CG2 4.42Å; I83-F102 HydrophobicContact CG2-CB 4.24Å; I83-F102 HydrophobicContact CG2-CD1 3.4Å; I83-F102 VanDerWaalsContact CG2-CD1 3.4Å; I83-F102 HydrophobicContact CG2-CE1 4.07Å; I83-F102 HydrophobicContact CG2-CG 4.14Å; I83-F103 WeakPolarHBondContact CG1-O 3.49Å; I83-F103 PolarHBondContact N-O 2.71Å; I83-E104 HydrophobicContact CG1-CG 4.37Å |
| 84 | N | 88.2 | Confident | 84.7 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 20% | 0.198 | 30% | 0.297 | C | S | . | . | trans | -104.3 | 169.7 | 170 | -56.2 | -71.9 | 0 | 0 | 0 | 110.2 | K15 D58 D60 H86 S87 | K15-N84 WeakPolarHBondContact CE-OD1 3.46Å; D58-N84 PolarHBondContact OD1-ND2 2.88Å; D58-N84 PolarHBondContact OD2-ND2 2.88Å; D60-N84 VanDerWaalsContact OD2-CB 3.29Å; D60-N84 WeakPolarHBondContact OD2-CB 3.33Å; D60-N84 PolarHBondContact OD2-ND2 3.25Å; N84-H86 PolarHBondContact O-N 3.42Å; N84-S87 PolarHBondContact N-OG 3.32Å; N84-S87 WeakPolarHBondContact O-CB 3.4Å; N84-S87 PolarHBondContact O-N 3.44Å; N84-S87 PolarHBondContact O-OG 3.01Å | ||
| 85 | T | 85.2 | Confident | 83.7 | Confident | 135 Ų | 135 | 61.3 Ų | 61.3 | 83% | 0.828 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.8 | -175.8 | -46.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 86 | H | 82.9 | Confident | 82.7 | Confident | 165 Ų | 165 | 61.6 Ų | 61.6 | 76% | 0.764 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 15.8 | -177.4 | -58.9 | -49.5 | 0 | 0 | 0 | 113.3 | N84 T88 | N84-H86 PolarHBondContact O-N 3.42Å; H86-T88 PolarHBondContact O-N 3.19Å |
| 87 | S | 82.4 | Confident | 81.9 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | trans | -59 | 134.4 | 175.6 | -67 | 0 | 0 | 0 | 0 | 110.4 | D60 N84 | D60-S87 WeakPolarHBondContact OD1-CA 3.16Å; D60-S87 WeakPolarHBondContact OD1-CB 3.47Å; D60-S87 PolarHBondContact OD1-OG 2.98Å; D60-S87 PolarHBondContact OD2-OG 3.33Å; N84-S87 PolarHBondContact N-OG 3.32Å; N84-S87 WeakPolarHBondContact O-CB 3.4Å; N84-S87 PolarHBondContact O-N 3.44Å; N84-S87 PolarHBondContact O-OG 3.01Å | ||
| 88 | T | 81.7 | Confident | 81.2 | Confident | 109 Ų | 109 | 70 Ų | 70 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | trans | -123.8 | 148.2 | 178.7 | 53.1 | 0 | 0 | 0 | 0 | 109.6 | W59 H86 | W59-T88 PolarHBondContact NE1-O 3.46Å; H86-T88 PolarHBondContact O-N 3.19Å | ||
| 89 | M | 75.9 | Confident | 80.8 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 50% | 0.502 | 37% | 0.374 | S | S | . | . | trans | -88.1 | 130.2 | 167.8 | -97.5 | -175.4 | 66.6 | 0 | 0 | 109.3 | W59 V93 F102 | W59-M89 HydrophobicContact CZ2-CG 4.32Å; M89-V93 HydrophobicContact CE-CB 4.05Å; M89-V93 HydrophobicContact CE-CG1 3.98Å; M89-F102 HydrophobicContact CG-CZ 4.28Å; M89-F102 HydrophobicContact SD-CE2 4.45Å; M89-F102 HydrophobicContact SD-CZ 4.35Å | ||
| 90 | D | 72.3 | Confident | 80.5 | Confident | 79 Ų | 79 | 72.6 Ų | 72.6 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | trans | -79.2 | 144.9 | 167 | -168.6 | -57.7 | 0 | 0 | 0 | 109.9 | L64 S92 V93 | L64-D90 HydrophobicContact CD1-CB 3.35Å; L64-D90 WeakPolarHBondContact CD1-OD2 3.21Å; L64-D90 HydrophobicContact CD2-CB 4.11Å; L64-D90 HydrophobicContact CG-CB 4.17Å; D90-S92 VanDerWaalsContact CG-OG 3.23Å; D90-S92 PolarHBondContact O-N 3.33Å; D90-S92 WeakPolarHBondContact OD1-CB 3.44Å; D90-S92 PolarHBondContact OD1-N 2.93Å; D90-S92 PolarHBondContact OD1-OG 3.33Å; D90-V93 HydrophobicContact CB-CG2 4.47Å; D90-V93 WeakPolarHBondContact O-CB 3.37Å; D90-V93 WeakPolarHBondContact O-CG2 3.3Å; D90-V93 PolarHBondContact O-N 3.08Å | ||
| 91 | V | 70.4 | Confident | 80.4 | Confident | 106 Ų | 106 | 76.5 Ų | 76.5 | 64% | 0.642 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -60.7 | -31.6 | 179.4 | 176 | 0 | 0 | 0 | 0 | 111.4 | V93 Q94 | V91-V93 PolarHBondContact O-N 2.9Å; V91-V93 VanDerWaalsContact O-N 3.15Å; V91-Q94 WeakPolarHBondContact O-CB 3.41Å; V91-Q94 PolarHBondContact O-N 3.19Å |
| 92 | S | 71.5 | Confident | 80.3 | Confident | 48 Ų | 48 | 80.8 Ų | 80.8 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -60.9 | -21.2 | 177.8 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | L64 D90 Q94 D95 | L64-S92 WeakPolarHBondContact CD2-OG 3.32Å; D90-S92 VanDerWaalsContact CG-OG 3.23Å; D90-S92 PolarHBondContact O-N 3.33Å; D90-S92 WeakPolarHBondContact OD1-CB 3.44Å; D90-S92 PolarHBondContact OD1-N 2.93Å; D90-S92 PolarHBondContact OD1-OG 3.33Å; S92-Q94 PolarHBondContact O-N 2.85Å; S92-D95 PolarHBondContact O-N 2.77Å |
| 93 | V | 68 | Low | 80.3 | Confident | 10 Ų | 10 | 81.7 Ų | 81.7 | 6% | 0.061 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -63 | -31.3 | 173 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | W59 L64 M89 D90 V91 D95 M96 M98 L100 | W59-V93 HydrophobicContact CH2-CG2 4.01Å; W59-V93 HydrophobicContact CZ2-CG2 4.3Å; L64-V93 HydrophobicContact CD2-CG2 3.43Å; L64-V93 VanDerWaalsContact CD2-CG2 3.43Å; L64-V93 HydrophobicContact CG-CG2 4.44Å; M89-V93 HydrophobicContact CE-CB 4.05Å; M89-V93 HydrophobicContact CE-CG1 3.98Å; D90-V93 HydrophobicContact CB-CG2 4.47Å; D90-V93 WeakPolarHBondContact O-CB 3.37Å; D90-V93 WeakPolarHBondContact O-CG2 3.3Å; D90-V93 PolarHBondContact O-N 3.08Å; V91-V93 PolarHBondContact O-N 2.9Å; V91-V93 VanDerWaalsContact O-N 3.15Å; V93-D95 VanDerWaalsContact C-N 3.26Å; V93-D95 PolarHBondContact O-N 2.88Å; V93-M96 PolarHBondContact O-N 3.29Å; V93-M96 VanDerWaalsContact O-N 3.14Å; V93-M98 HydrophobicContact CG1-CE 3.61Å; V93-L100 HydrophobicContact CG1-CD2 4.32Å |
| 94 | Q | 66.5 | Low | 80.4 | Confident | 145 Ų | 145 | 84.9 Ų | 84.9 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -67.5 | -26.5 | -174.6 | -63.5 | -173.7 | -14.8 | 0 | 0 | 113.2 | V91 S92 M96 | V91-Q94 WeakPolarHBondContact O-CB 3.41Å; V91-Q94 PolarHBondContact O-N 3.19Å; S92-Q94 PolarHBondContact O-N 2.85Å; Q94-M96 VanDerWaalsContact C-N 3.31Å |
| 95 | D | 70.8 | Confident | 80.7 | Confident | 147 Ų | 147 | 84.7 Ų | 84.7 | 79% | 0.786 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -81.5 | -14.9 | 178.5 | -66.7 | -33.1 | 0 | 0 | 0 | 112.4 | S92 V93 | S92-D95 PolarHBondContact O-N 2.77Å; V93-D95 VanDerWaalsContact C-N 3.26Å; V93-D95 PolarHBondContact O-N 2.88Å |
| 96 | M | 70.4 | Confident | 81.1 | Confident | 34 Ų | 34 | 79.5 Ų | 79.5 | 17% | 0.167 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -92.5 | 124 | -179.2 | -62.6 | -170 | -84.7 | 0 | 0 | 110.7 | L64 V93 Q94 M98 | L64-M96 HydrophobicContact CD2-CE 3.85Å; V93-M96 PolarHBondContact O-N 3.29Å; V93-M96 VanDerWaalsContact O-N 3.14Å; Q94-M96 VanDerWaalsContact C-N 3.31Å; M96-M98 VanDerWaalsContact C-N 3.32Å; M96-M98 HydrophobicContact CB-CE 3.82Å; M96-M98 HydrophobicContact CB-CG 3.73Å; M96-M98 HydrophobicContact CB-SD 3.81Å; M96-M98 HydrophobicContact CE-CE 3.8Å; M96-M98 HydrophobicContact CE-SD 4.21Å; M96-M98 PolarHBondContact O-N 2.89Å; M96-M98 HydrophobicContact SD-CE 4.26Å; M96-M98 HydrophobicContact SD-SD 3.95Å |
| 97 | R | 75 | Confident | 81.7 | Confident | 221 Ų | 221 | 76.5 Ų | 76.5 | 83% | 0.834 | 39% | 0.389 | S | S | * | . | trans | -75.2 | 83.9 | 172.3 | -70 | -174.6 | 177.6 | -174.2 | -0.5 | 109.7 | N71 E75 | N71-R97 PolarHBondContact OD1-O 2.95Å; N71-R97 VanDerWaalsContact OD1-O 3.07Å; E75-R97 VanDerWaalsContact O-O 3.06Å | ||
| 98 | M | 79.7 | Confident | 82.1 | Confident | 37 Ų | 37 | 78 Ų | 78 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | trans | -120.1 | 142.2 | -177.4 | -59.2 | -175.3 | -55.8 | 0 | 0 | 112.3 | C67 N71 L79 V93 M96 L100 | C67-M98 HydrophobicContact CB-CE 4.07Å; C67-M98 HydrophobicContact CB-SD 3.68Å; N71-M98 HydrophobicContact CB-CG 4.05Å; N71-M98 HydrophobicContact CB-SD 4.14Å; L79-M98 HydrophobicContact CD1-SD 4.3Å; V93-M98 HydrophobicContact CG1-CE 3.61Å; M96-M98 VanDerWaalsContact C-N 3.32Å; M96-M98 HydrophobicContact CB-CE 3.82Å; M96-M98 HydrophobicContact CB-CG 3.73Å; M96-M98 HydrophobicContact CB-SD 3.81Å; M96-M98 HydrophobicContact CE-CE 3.8Å; M96-M98 HydrophobicContact CE-SD 4.21Å; M96-M98 PolarHBondContact O-N 2.89Å; M96-M98 HydrophobicContact SD-CE 4.26Å; M96-M98 HydrophobicContact SD-SD 3.95Å; M98-L100 PolarHBondContact O-N 2.72Å | ||
| 99 | A | 85.9 | Confident | 82.7 | Confident | 31 Ų | 31 | 76.7 Ų | 76.7 | 26% | 0.256 | 40% | 0.395 | S | S | . | . | trans | -85.7 | 76.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P78 L79 | P78-A99 WeakPolarHBondContact CA-O 3.43Å; L79-A99 PolarHBondContact N-O 2.84Å | ||
| 100 | L | 89.4 | Confident | 83.6 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.7 | -176.6 | -178.5 | 66.4 | 0 | 0 | 0 | 112 | F57 W59 L79 A81 V93 M98 F102 | F57-L100 HydrophobicContact CZ-CD1 4.22Å; W59-L100 HydrophobicContact CE3-CD1 4.39Å; W59-L100 HydrophobicContact CE3-CD2 4.4Å; W59-L100 HydrophobicContact CH2-CD2 3.66Å; W59-L100 HydrophobicContact CZ3-CD1 3.92Å; W59-L100 HydrophobicContact CZ3-CD2 3.49Å; W59-L100 VanDerWaalsContact CZ3-CD2 3.49Å; W59-L100 HydrophobicContact CZ3-CG 4.35Å; L79-L100 HydrophobicContact CB-CD1 3.74Å; A81-L100 HydrophobicContact CB-CD1 3.8Å; V93-L100 HydrophobicContact CG1-CD2 4.32Å; M98-L100 PolarHBondContact O-N 2.72Å; L100-F102 HydrophobicContact CD2-CE1 4.04Å; L100-F102 HydrophobicContact CD2-CE2 4.19Å; L100-F102 HydrophobicContact CD2-CZ 3.53Å; L100-F102 HydrophobicContact CG-CE1 4.29Å; L100-F102 HydrophobicContact CG-CE2 4.36Å; L100-F102 HydrophobicContact CG-CZ 3.99Å |
| 101 | W | 92.1 | Very high | 84.7 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 31% | 0.314 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.7 | 179.3 | -51.8 | 102.7 | 0 | 0 | 0 | 110.8 | L79 Y80 A81 F103 Y120 | L79-W101 PolarHBondContact O-N 3.11Å; Y80-W101 HydrophobicContact CD1-CB 4.23Å; Y80-W101 AromaticContact CD1-CD1 3.97Å; Y80-W101 HydrophobicContact CD1-CG 4.47Å; Y80-W101 AromaticContact CE1-CD1 3.84Å; A81-W101 PolarHBondContact N-O 3.04Å; W101-F103 HydrophobicContact CB-CE2 4.31Å; W101-Y120 HydrophobicContact CB-CD2 4.33Å; W101-Y120 HydrophobicContact CB-CE2 3.96Å; W101-Y120 AromaticContact CD1-CD2 3.75Å; W101-Y120 AromaticContact CD1-CG 3.87Å; W101-Y120 AromaticContact CD2-CD1 3.94Å; W101-Y120 HydrophobicContact CD2-CD1 3.94Å; W101-Y120 HydrophobicContact CD2-CD2 4.11Å; W101-Y120 AromaticContact CD2-CE1 3.63Å; W101-Y120 HydrophobicContact CD2-CE1 3.63Å; W101-Y120 AromaticContact CD2-CE2 3.8Å; W101-Y120 HydrophobicContact CD2-CE2 3.8Å; W101-Y120 HydrophobicContact CD2-CG 4.17Å; W101-Y120 AromaticContact CD2-CZ 3.55Å; W101-Y120 AromaticContact CE2-CD1 3.47Å; W101-Y120 VanDerWaalsContact CE2-CD1 3.47Å; W101-Y120 AromaticContact CE2-CE1 3.57Å; W101-Y120 AromaticContact CE2-CG 3.82Å; W101-Y120 AromaticContact CE2-CZ 3.99Å; W101-Y120 HydrophobicContact CE3-CD1 4.46Å; W101-Y120 AromaticContact CE3-CE1 3.73Å; W101-Y120 HydrophobicContact CE3-CE1 3.73Å; W101-Y120 HydrophobicContact CE3-CE2 4.23Å; W101-Y120 AromaticContact CE3-CZ 3.59Å; W101-Y120 HydrophobicContact CG-CD1 4.43Å; W101-Y120 AromaticContact CG-CD2 3.79Å; W101-Y120 HydrophobicContact CG-CD2 3.79Å; W101-Y120 HydrophobicContact CG-CE1 4.33Å; W101-Y120 AromaticContact CG-CE2 3.67Å; W101-Y120 HydrophobicContact CG-CE2 3.67Å; W101-Y120 HydrophobicContact CG-CG 4.18Å; W101-Y120 AromaticContact CG-CZ 3.96Å; W101-Y120 HydrophobicContact CH2-CD1 4.16Å; W101-Y120 AromaticContact CH2-CE1 3.72Å; W101-Y120 HydrophobicContact CH2-CE1 3.72Å; W101-Y120 AromaticContact CZ2-CD1 3.59Å; W101-Y120 HydrophobicContact CZ2-CD1 3.59Å; W101-Y120 AromaticContact CZ2-CE1 3.62Å; W101-Y120 HydrophobicContact CZ2-CE1 3.62Å; W101-Y120 HydrophobicContact CZ2-CG 4.36Å; W101-Y120 AromaticContact CZ3-CE1 3.78Å; W101-Y120 HydrophobicContact CZ3-CE1 3.78Å; W101-Y120 AromaticContact NE1-CD1 3.73Å; W101-Y120 AromaticContact NE1-CD2 3.98Å; W101-Y120 AromaticContact NE1-CG 3.6Å |
| 102 | F | 92.3 | Very high | 86 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.3 | -175.7 | -61.5 | -73.5 | 0 | 0 | 0 | 112.7 | W59 A81 I83 M89 L100 | W59-F102 AromaticContact CD2-CE1 3.94Å; W59-F102 HydrophobicContact CD2-CE1 3.94Å; W59-F102 AromaticContact CE3-CE1 3.98Å; W59-F102 HydrophobicContact CE3-CE1 3.98Å; W59-F102 HydrophobicContact CG-CE1 4.43Å; W59-F102 HydrophobicContact CZ3-CE1 4.32Å; A81-F102 HydrophobicContact CB-CD1 3.77Å; A81-F102 HydrophobicContact CB-CE1 3.96Å; A81-F102 CarbonylContact O-C 3.54Å; A81-F102 VanDerWaalsContact O-CA 3.24Å; A81-F102 WeakPolarHBondContact O-CA 3.38Å; I83-F102 HydrophobicContact CG2-CB 4.24Å; I83-F102 HydrophobicContact CG2-CD1 3.4Å; I83-F102 VanDerWaalsContact CG2-CD1 3.4Å; I83-F102 HydrophobicContact CG2-CE1 4.07Å; I83-F102 HydrophobicContact CG2-CG 4.14Å; M89-F102 HydrophobicContact CG-CZ 4.28Å; M89-F102 HydrophobicContact SD-CE2 4.45Å; M89-F102 HydrophobicContact SD-CZ 4.35Å; L100-F102 HydrophobicContact CD2-CE1 4.04Å; L100-F102 HydrophobicContact CD2-CE2 4.19Å; L100-F102 HydrophobicContact CD2-CZ 3.53Å; L100-F102 HydrophobicContact CG-CE1 4.29Å; L100-F102 HydrophobicContact CG-CE2 4.36Å; L100-F102 HydrophobicContact CG-CZ 3.99Å |
| 103 | F | 94.8 | Very high | 87.2 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 10% | 0.096 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.7 | 176.5 | -61.5 | -73.3 | 0 | 0 | 0 | 111.6 | Y80 A81 F82 I83 W101 I113 R116 M117 Y120 | Y80-F103 AromaticContact CD1-CE2 3.84Å; Y80-F103 HydrophobicContact CD1-CE2 3.84Å; Y80-F103 HydrophobicContact CG-CE2 4.16Å; A81-F103 PolarHBondContact O-N 3.4Å; F82-F103 CarbonylContact C-O 3.55Å; F82-F103 VanDerWaalsContact CA-O 3.29Å; F82-F103 WeakPolarHBondContact CA-O 3.43Å; F82-F103 HydrophobicContact CD1-CB 4.06Å; F82-F103 HydrophobicContact CD2-CB 4.27Å; F82-F103 HydrophobicContact CE1-CB 3.78Å; F82-F103 HydrophobicContact CE2-CB 3.98Å; F82-F103 HydrophobicContact CE2-CD2 4.22Å; F82-F103 HydrophobicContact CE2-CG 4.45Å; F82-F103 HydrophobicContact CG-CB 4.29Å; F82-F103 HydrophobicContact CZ-CB 3.72Å; F82-F103 HydrophobicContact CZ-CG 4.34Å; I83-F103 WeakPolarHBondContact CG1-O 3.49Å; I83-F103 PolarHBondContact N-O 2.71Å; W101-F103 HydrophobicContact CB-CE2 4.31Å; F103-I113 HydrophobicContact CB-CD1 4.4Å; F103-I113 HydrophobicContact CD1-CB 4.33Å; F103-I113 HydrophobicContact CD1-CD1 4.4Å; F103-I113 HydrophobicContact CD1-CG1 3.87Å; F103-I113 HydrophobicContact CD1-CG2 3.81Å; F103-I113 HydrophobicContact CD2-CG2 4.33Å; F103-I113 HydrophobicContact CE1-CB 4.41Å; F103-I113 HydrophobicContact CE1-CG1 4.33Å; F103-I113 HydrophobicContact CE1-CG2 3.87Å; F103-I113 HydrophobicContact CE2-CG2 4.38Å; F103-I113 HydrophobicContact CG-CG2 4.03Å; F103-I113 HydrophobicContact CZ-CG2 4.15Å; F103-R116 HydrophobicContact CE1-CB 4.07Å; F103-R116 HydrophobicContact CZ-CB 4.18Å; F103-M117 HydrophobicContact CD2-CE 3.89Å; F103-M117 HydrophobicContact CE2-CE 3.6Å; F103-M117 HydrophobicContact CE2-CG 4.2Å; F103-M117 HydrophobicContact CZ-CE 4.26Å; F103-M117 HydrophobicContact CZ-CG 4.13Å; F103-Y120 HydrophobicContact CZ-CD2 4.41Å; F103-Y120 AromaticContact CZ-CE2 3.9Å; F103-Y120 HydrophobicContact CZ-CE2 3.9Å |
| 104 | E | 93.7 | Very high | 88.5 | Confident | 120 Ų | 120 | 73.4 Ų | 73.4 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 149.8 | 176 | -66.3 | -174.2 | 157.6 | 0 | 0 | 111.3 | F82 I83 A106 | F82-E104 WeakPolarHBondContact CE1-O 3.28Å; I83-E104 HydrophobicContact CG1-CG 4.37Å; E104-A106 PolarHBondContact O-N 3.46Å |
| 105 | Y | 94.2 | Very high | 90 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 13% | 0.129 | 36% | 0.356 | C | S | . | . | trans | -75.8 | 101.1 | 169.1 | -67.4 | -74.2 | 0 | 0 | 0 | 110.5 | H10 K15 I19 D58 F82 | H10-Y105 PolarHBondContact NE2-OH 3.03Å; K15-Y105 HydrophobicContact CB-CD1 3.83Å; K15-Y105 HydrophobicContact CB-CE1 3.64Å; K15-Y105 HydrophobicContact CB-CE2 4.38Å; K15-Y105 HydrophobicContact CB-CG 4.26Å; K15-Y105 HydrophobicContact CD-CD2 4.35Å; K15-Y105 HydrophobicContact CD-CE1 4.39Å; K15-Y105 HydrophobicContact CD-CE2 3.78Å; K15-Y105 HydrophobicContact CG-CD1 4.07Å; K15-Y105 HydrophobicContact CG-CD2 3.88Å; K15-Y105 HydrophobicContact CG-CE1 3.98Å; K15-Y105 HydrophobicContact CG-CE2 3.78Å; K15-Y105 HydrophobicContact CG-CG 4.01Å; I19-Y105 HydrophobicContact CD1-CE1 3.96Å; I19-Y105 HydrophobicContact CG1-CD1 4.36Å; I19-Y105 HydrophobicContact CG1-CE1 3.79Å; D58-Y105 VanDerWaalsContact CB-OH 3.29Å; D58-Y105 WeakPolarHBondContact CB-OH 3.16Å; D58-Y105 WeakPolarHBondContact OD2-CE2 3.43Å; D58-Y105 PolarHBondContact OD2-OH 3.35Å; F82-Y105 HydrophobicContact CB-CD1 4.48Å; F82-Y105 HydrophobicContact CB-CD2 4.16Å; F82-Y105 HydrophobicContact CB-CE1 3.86Å; F82-Y105 HydrophobicContact CB-CE2 3.49Å; F82-Y105 VanDerWaalsContact CB-CE2 3.49Å; F82-Y105 WeakPolarHBondContact CB-OH 3.28Å; F82-Y105 AromaticContact CD1-CD1 3.64Å; F82-Y105 HydrophobicContact CD1-CD1 3.64Å; F82-Y105 HydrophobicContact CD1-CD2 4.3Å; F82-Y105 AromaticContact CD1-CE1 3.68Å; F82-Y105 HydrophobicContact CD1-CE1 3.68Å; F82-Y105 HydrophobicContact CD1-CE2 4.32Å; F82-Y105 AromaticContact CD1-CG 3.98Å; F82-Y105 HydrophobicContact CD1-CG 3.98Å; F82-Y105 HydrophobicContact CE1-CD1 4.3Å; F82-Y105 HydrophobicContact CG-CD1 4.33Å; F82-Y105 AromaticContact CG-CE1 3.9Å; F82-Y105 HydrophobicContact CG-CE1 3.9Å; F82-Y105 HydrophobicContact CG-CE2 4.33Å; F82-Y105 AromaticContact CG-CZ 3.9Å | ||
| 106 | A | 94.1 | Very high | 91.2 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | trans | -144.7 | 135.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E104 Q109 | E104-A106 PolarHBondContact O-N 3.46Å; A106-Q109 HydrophobicContact CB-CB 4.42Å; A106-Q109 HydrophobicContact CB-CG 3.89Å | ||
| 107 | L | 93.7 | Very high | 92.4 | Very high | 103 Ų | 103 | 68.1 Ų | 68.1 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 142.2 | 172.7 | -64.6 | 175.2 | 0 | 0 | 0 | 110.6 | E17 P18 Q109 | E17-L107 HydrophobicContact CB-CD2 4Å; E17-L107 HydrophobicContact CG-CD2 3.71Å; P18-L107 HydrophobicContact CG-CD2 4Å; P18-L107 HydrophobicContact CG-CG 4.46Å; L107-Q109 VanDerWaalsContact C-N 3.27Å; L107-Q109 PolarHBondContact O-N 3.48Å |
| 108 | G | 92.7 | Very high | 93.4 | Very high | 63 Ų | 63 | 62.4 Ų | 62.4 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 0.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E21 | E21-G108 PolarHBondContact OE2-N 2.86Š|
| 109 | Q | 93.5 | Very high | 94.2 | Very high | 81 Ų | 81 | 64.5 Ų | 64.5 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | trans | -94.5 | -4.5 | 174.1 | -65.5 | -166.2 | 7.7 | 0 | 0 | 113.6 | A106 L107 E111 D112 I113 | A106-Q109 HydrophobicContact CB-CB 4.42Å; A106-Q109 HydrophobicContact CB-CG 3.89Å; L107-Q109 VanDerWaalsContact C-N 3.27Å; L107-Q109 PolarHBondContact O-N 3.48Å; Q109-E111 VanDerWaalsContact C-N 3.3Å; Q109-E111 PolarHBondContact O-N 3.22Å; Q109-D112 PolarHBondContact O-N 2.89Å; Q109-I113 HydrophobicContact CB-CD1 4.07Å; Q109-I113 HydrophobicContact CB-CG1 4.42Å; Q109-I113 WeakPolarHBondContact O-CG1 3.48Å; Q109-I113 PolarHBondContact O-N 3.32Å | ||
| 110 | A | 95.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 7% | 0.066 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.5 | -39 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E21 L22 A25 A114 | E21-A110 VanDerWaalsContact C-CB 3.44Å; E21-A110 HydrophobicContact CB-CB 3.54Å; L22-A110 HydrophobicContact CB-CB 4.36Å; A25-A110 HydrophobicContact CB-CB 4.25Å; A110-A114 VanDerWaalsContact O-CB 3.22Å; A110-A114 WeakPolarHBondContact O-CB 3.36Å; A110-A114 PolarHBondContact O-N 2.83Å |
| 111 | E | 95.5 | Very high | 94.9 | Very high | 147 Ų | 147 | 63.3 Ų | 63.3 | 69% | 0.687 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 178.2 | -68.1 | -173.1 | 175.4 | 0 | 0 | 111.9 | Q109 A114 I115 | Q109-E111 VanDerWaalsContact C-N 3.3Å; Q109-E111 PolarHBondContact O-N 3.22Å; E111-A114 PolarHBondContact O-N 2.93Å; E111-I115 VanDerWaalsContact O-CG1 3.29Å; E111-I115 WeakPolarHBondContact O-CG1 3.16Å; E111-I115 PolarHBondContact O-N 2.98Å |
| 112 | D | 96.1 | Very high | 95 | Very high | 110 Ų | 110 | 62.1 Ų | 62.1 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.4 | -44 | 178.7 | -74.3 | -29.9 | 0 | 0 | 0 | 111.3 | Q109 I115 R116 | Q109-D112 PolarHBondContact O-N 2.89Å; D112-I115 PolarHBondContact O-N 3.41Å; D112-R116 WeakPolarHBondContact O-CG 3.47Å; D112-R116 PolarHBondContact O-N 2.97Å |
| 113 | I | 96.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.2 | -65.1 | 172.1 | 0 | 0 | 0 | 110.3 | L22 F82 F103 Q109 I115 R116 M117 | L22-I113 HydrophobicContact CD1-CB 4Å; L22-I113 HydrophobicContact CD1-CG2 3.64Å; L22-I113 HydrophobicContact CD2-CG2 3.96Å; L22-I113 HydrophobicContact CG-CG2 4.47Å; F82-I113 HydrophobicContact CE1-CD1 4.23Å; F82-I113 HydrophobicContact CZ-CD1 4.23Å; F82-I113 HydrophobicContact CZ-CG2 4.33Å; F103-I113 HydrophobicContact CB-CD1 4.4Å; F103-I113 HydrophobicContact CD1-CB 4.33Å; F103-I113 HydrophobicContact CD1-CD1 4.4Å; F103-I113 HydrophobicContact CD1-CG1 3.87Å; F103-I113 HydrophobicContact CD1-CG2 3.81Å; F103-I113 HydrophobicContact CD2-CG2 4.33Å; F103-I113 HydrophobicContact CE1-CB 4.41Å; F103-I113 HydrophobicContact CE1-CG1 4.33Å; F103-I113 HydrophobicContact CE1-CG2 3.87Å; F103-I113 HydrophobicContact CE2-CG2 4.38Å; F103-I113 HydrophobicContact CG-CG2 4.03Å; F103-I113 HydrophobicContact CZ-CG2 4.15Å; Q109-I113 HydrophobicContact CB-CD1 4.07Å; Q109-I113 HydrophobicContact CB-CG1 4.42Å; Q109-I113 WeakPolarHBondContact O-CG1 3.48Å; Q109-I113 PolarHBondContact O-N 3.32Å; I113-I115 VanDerWaalsContact C-N 3.35Å; I113-I115 PolarHBondContact O-N 2.82Å; I113-R116 WeakPolarHBondContact O-CB 3.31Å; I113-R116 PolarHBondContact O-N 2.86Å; I113-M117 HydrophobicContact CG2-CE 3.64Å; I113-M117 HydrophobicContact CG2-CG 4.39Å; I113-M117 HydrophobicContact CG2-SD 4.12Å; I113-M117 WeakPolarHBondContact O-CG 3.43Å; I113-M117 PolarHBondContact O-N 2.92Å |
| 114 | A | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L22 A25 L26 Q29 A110 E111 R116 M117 R118 | L22-A114 HydrophobicContact CD1-CB 4.05Å; A25-A114 HydrophobicContact CB-CB 3.7Å; L26-A114 HydrophobicContact CD2-CB 3.89Å; L26-A114 HydrophobicContact CG-CB 4.22Å; Q29-A114 VanDerWaalsContact NE2-CB 3.34Å; Q29-A114 PolarHBondContact OE1-O 2.88Å; A110-A114 VanDerWaalsContact O-CB 3.22Å; A110-A114 WeakPolarHBondContact O-CB 3.36Å; A110-A114 PolarHBondContact O-N 2.83Å; E111-A114 PolarHBondContact O-N 2.93Å; A114-R116 VanDerWaalsContact C-N 3.35Å; A114-M117 PolarHBondContact O-N 3.11Å; A114-R118 PolarHBondContact O-N 3.31Å |
| 115 | I | 96.4 | Very high | 95.2 | Very high | 82 Ų | 82 | 58.3 Ų | 58.3 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.8 | -69.2 | 165 | 0 | 0 | 0 | 110.9 | E111 D112 I113 R118 Q119 | E111-I115 VanDerWaalsContact O-CG1 3.29Å; E111-I115 WeakPolarHBondContact O-CG1 3.16Å; E111-I115 PolarHBondContact O-N 2.98Å; D112-I115 PolarHBondContact O-N 3.41Å; I113-I115 VanDerWaalsContact C-N 3.35Å; I113-I115 PolarHBondContact O-N 2.82Å; I115-R118 WeakPolarHBondContact O-CB 3.33Å; I115-R118 PolarHBondContact O-N 3.26Å; I115-Q119 WeakPolarHBondContact O-CG 3.34Å; I115-Q119 PolarHBondContact O-N 3.32Å; I115-Q119 VanDerWaalsContact O-N 3.1Å |
| 116 | R | 96.3 | Very high | 95.2 | Very high | 133 Ų | 133 | 60.8 Ų | 60.8 | 50% | 0.502 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 175.7 | -69.7 | -65.6 | -172.1 | 177.4 | 5.7 | 112 | F103 D112 I113 A114 R118 Q119 Y120 | F103-R116 HydrophobicContact CE1-CB 4.07Å; F103-R116 HydrophobicContact CZ-CB 4.18Å; D112-R116 WeakPolarHBondContact O-CG 3.47Å; D112-R116 PolarHBondContact O-N 2.97Å; I113-R116 WeakPolarHBondContact O-CB 3.31Å; I113-R116 PolarHBondContact O-N 2.86Å; A114-R116 VanDerWaalsContact C-N 3.35Å; R116-R118 PolarHBondContact O-N 2.98Å; R116-Q119 WeakPolarHBondContact O-CB 3.48Å; R116-Q119 PolarHBondContact O-N 2.89Å; R116-Y120 HydrophobicContact CB-CD2 4.49Å; R116-Y120 HydrophobicContact CB-CE2 3.97Å; R116-Y120 WeakPolarHBondContact O-CD2 3.49Å; R116-Y120 PolarHBondContact O-N 3.07Å |
| 117 | M | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -35 | 176.8 | -71.2 | 180 | 174.1 | 0 | 0 | 112.5 | L22 L26 I56 Y80 F82 F103 I113 A114 T121 | L22-M117 HydrophobicContact CD1-SD 4.2Å; L22-M117 HydrophobicContact CD2-CE 3.84Å; L22-M117 HydrophobicContact CD2-SD 4.22Å; L26-M117 HydrophobicContact CD1-SD 4.02Å; L26-M117 HydrophobicContact CD2-CB 4.15Å; L26-M117 HydrophobicContact CD2-SD 4.01Å; I56-M117 HydrophobicContact CD1-CE 3.65Å; I56-M117 HydrophobicContact CD1-SD 3.72Å; I56-M117 HydrophobicContact CG1-CE 3.78Å; I56-M117 HydrophobicContact CG1-SD 4.26Å; Y80-M117 HydrophobicContact CD1-CE 4.37Å; Y80-M117 HydrophobicContact CD1-CG 4.14Å; Y80-M117 HydrophobicContact CD2-CE 3.88Å; Y80-M117 HydrophobicContact CD2-CG 4.1Å; Y80-M117 HydrophobicContact CD2-SD 4.04Å; Y80-M117 HydrophobicContact CE1-CB 4.47Å; Y80-M117 HydrophobicContact CE1-CG 4.06Å; Y80-M117 HydrophobicContact CE2-CB 4.25Å; Y80-M117 HydrophobicContact CE2-CG 3.99Å; Y80-M117 HydrophobicContact CE2-SD 4.28Å; Y80-M117 HydrophobicContact CG-CE 3.71Å; Y80-M117 HydrophobicContact CG-CG 4.17Å; Y80-M117 HydrophobicContact CG-SD 4.37Å; Y80-M117 PolarHBondContact OH-O 3.35Å; F82-M117 HydrophobicContact CE2-CE 4.18Å; F103-M117 HydrophobicContact CD2-CE 3.89Å; F103-M117 HydrophobicContact CE2-CE 3.6Å; F103-M117 HydrophobicContact CE2-CG 4.2Å; F103-M117 HydrophobicContact CZ-CE 4.26Å; F103-M117 HydrophobicContact CZ-CG 4.13Å; I113-M117 HydrophobicContact CG2-CE 3.64Å; I113-M117 HydrophobicContact CG2-CG 4.39Å; I113-M117 HydrophobicContact CG2-SD 4.12Å; I113-M117 WeakPolarHBondContact O-CG 3.43Å; I113-M117 PolarHBondContact O-N 2.92Å; A114-M117 PolarHBondContact O-N 3.11Å; M117-T121 WeakPolarHBondContact O-CB 3.47Å; M117-T121 PolarHBondContact O-N 3.28Å; M117-T121 PolarHBondContact O-OG1 3.07Å |
| 118 | R | 96.1 | Very high | 95.2 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 38% | 0.381 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 172 | 177.4 | 65.2 | -149.4 | -143.1 | 10.2 | 112.1 | F31 A114 I115 R116 Y120 T121 D122 | F31-R118 HydrophobicContact CE2-CB 4.29Å; A114-R118 PolarHBondContact O-N 3.31Å; I115-R118 WeakPolarHBondContact O-CB 3.33Å; I115-R118 PolarHBondContact O-N 3.26Å; R116-R118 PolarHBondContact O-N 2.98Å; R118-Y120 PolarHBondContact O-N 3.01Å; R118-T121 WeakPolarHBondContact O-CB 3.48Å; R118-T121 PolarHBondContact O-N 3.24Å; R118-D122 IonicContact CZ-OD1 2.84Å; R118-D122 IonicContact CZ-OD2 3.8Å; R118-D122 IonicContact NE-OD1 3.85Å; R118-D122 PolarHBondContact NE-OD1 3.4Å; R118-D122 IonicContact NE-OD2 3.04Å; R118-D122 PolarHBondContact NE-OD2 3Å; R118-D122 IonicContact NH2-OD1 3.75Å; R118-D122 PolarHBondContact NH2-OD1 2.99Å; R118-D122 IonicContact NH2-OD2 2.8Å; R118-D122 PolarHBondContact O-N 3.26Å |
| 119 | Q | 95.7 | Very high | 95.4 | Very high | 82 Ų | 82 | 61.3 Ų | 61.3 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 176 | -68.7 | 171.6 | -13.7 | 0 | 0 | 111.3 | I115 R116 T121 D122 E123 | I115-Q119 WeakPolarHBondContact O-CG 3.34Å; I115-Q119 PolarHBondContact O-N 3.32Å; I115-Q119 VanDerWaalsContact O-N 3.1Å; R116-Q119 WeakPolarHBondContact O-CB 3.48Å; R116-Q119 PolarHBondContact O-N 2.89Å; Q119-T121 VanDerWaalsContact C-N 3.3Å; Q119-T121 PolarHBondContact O-N 3.25Å; Q119-D122 PolarHBondContact O-N 2.84Å; Q119-D122 VanDerWaalsContact O-N 3.11Å; Q119-E123 WeakPolarHBondContact O-CG 3.41Å; Q119-E123 PolarHBondContact O-N 2.89Å |
| 120 | Y | 95.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 57.7 Ų | 57.7 | 14% | 0.137 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 177.4 | -59.2 | -40.4 | 0 | 0 | 0 | 113.1 | Y80 W101 F103 R116 R118 E123 Y124 | Y80-Y120 HydrophobicContact CD1-CD2 4.38Å; Y80-Y120 AromaticContact CE1-CD2 3.75Å; Y80-Y120 HydrophobicContact CE1-CD2 3.75Å; Y80-Y120 HydrophobicContact CE1-CG 4.28Å; W101-Y120 HydrophobicContact CB-CD2 4.33Å; W101-Y120 HydrophobicContact CB-CE2 3.96Å; W101-Y120 AromaticContact CD1-CD2 3.75Å; W101-Y120 AromaticContact CD1-CG 3.87Å; W101-Y120 AromaticContact CD2-CD1 3.94Å; W101-Y120 HydrophobicContact CD2-CD1 3.94Å; W101-Y120 HydrophobicContact CD2-CD2 4.11Å; W101-Y120 AromaticContact CD2-CE1 3.63Å; W101-Y120 HydrophobicContact CD2-CE1 3.63Å; W101-Y120 AromaticContact CD2-CE2 3.8Å; W101-Y120 HydrophobicContact CD2-CE2 3.8Å; W101-Y120 HydrophobicContact CD2-CG 4.17Å; W101-Y120 AromaticContact CD2-CZ 3.55Å; W101-Y120 AromaticContact CE2-CD1 3.47Å; W101-Y120 VanDerWaalsContact CE2-CD1 3.47Å; W101-Y120 AromaticContact CE2-CE1 3.57Å; W101-Y120 AromaticContact CE2-CG 3.82Å; W101-Y120 AromaticContact CE2-CZ 3.99Å; W101-Y120 HydrophobicContact CE3-CD1 4.46Å; W101-Y120 AromaticContact CE3-CE1 3.73Å; W101-Y120 HydrophobicContact CE3-CE1 3.73Å; W101-Y120 HydrophobicContact CE3-CE2 4.23Å; W101-Y120 AromaticContact CE3-CZ 3.59Å; W101-Y120 HydrophobicContact CG-CD1 4.43Å; W101-Y120 AromaticContact CG-CD2 3.79Å; W101-Y120 HydrophobicContact CG-CD2 3.79Å; W101-Y120 HydrophobicContact CG-CE1 4.33Å; W101-Y120 AromaticContact CG-CE2 3.67Å; W101-Y120 HydrophobicContact CG-CE2 3.67Å; W101-Y120 HydrophobicContact CG-CG 4.18Å; W101-Y120 AromaticContact CG-CZ 3.96Å; W101-Y120 HydrophobicContact CH2-CD1 4.16Å; W101-Y120 AromaticContact CH2-CE1 3.72Å; W101-Y120 HydrophobicContact CH2-CE1 3.72Å; W101-Y120 AromaticContact CZ2-CD1 3.59Å; W101-Y120 HydrophobicContact CZ2-CD1 3.59Å; W101-Y120 AromaticContact CZ2-CE1 3.62Å; W101-Y120 HydrophobicContact CZ2-CE1 3.62Å; W101-Y120 HydrophobicContact CZ2-CG 4.36Å; W101-Y120 AromaticContact CZ3-CE1 3.78Å; W101-Y120 HydrophobicContact CZ3-CE1 3.78Å; W101-Y120 AromaticContact NE1-CD1 3.73Å; W101-Y120 AromaticContact NE1-CD2 3.98Å; W101-Y120 AromaticContact NE1-CG 3.6Å; F103-Y120 HydrophobicContact CZ-CD2 4.41Å; F103-Y120 AromaticContact CZ-CE2 3.9Å; F103-Y120 HydrophobicContact CZ-CE2 3.9Å; R116-Y120 HydrophobicContact CB-CD2 4.49Å; R116-Y120 HydrophobicContact CB-CE2 3.97Å; R116-Y120 WeakPolarHBondContact O-CD2 3.49Å; R116-Y120 PolarHBondContact O-N 3.07Å; R118-Y120 PolarHBondContact O-N 3.01Å; Y120-E123 PolarHBondContact O-N 2.92Å; Y120-Y124 WeakPolarHBondContact O-CB 3.29Å; Y120-Y124 PolarHBondContact O-N 3.49Å |
| 121 | T | 95 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 172.3 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | F31 C53 Y80 M117 R118 Q119 Y124 L125 | F31-T121 HydrophobicContact CE1-CG2 4.11Å; F31-T121 HydrophobicContact CZ-CG2 4.3Å; C53-T121 HydrophobicContact CB-CG2 3.98Å; Y80-T121 PolarHBondContact OH-OG1 3.4Å; M117-T121 WeakPolarHBondContact O-CB 3.47Å; M117-T121 PolarHBondContact O-N 3.28Å; M117-T121 PolarHBondContact O-OG1 3.07Å; R118-T121 WeakPolarHBondContact O-CB 3.48Å; R118-T121 PolarHBondContact O-N 3.24Å; Q119-T121 VanDerWaalsContact C-N 3.3Å; Q119-T121 PolarHBondContact O-N 3.25Å; T121-Y124 WeakPolarHBondContact O-CB 3.37Å; T121-Y124 PolarHBondContact O-N 3.31Å; T121-L125 WeakPolarHBondContact O-CG 3.44Å; T121-L125 PolarHBondContact O-N 3.16Å |
| 122 | D | 94.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 176.6 | -69.7 | -34.6 | 0 | 0 | 0 | 111.3 | R118 Q119 Y124 L125 D126 | R118-D122 IonicContact CZ-OD1 2.84Å; R118-D122 IonicContact CZ-OD2 3.8Å; R118-D122 IonicContact NE-OD1 3.85Å; R118-D122 PolarHBondContact NE-OD1 3.4Å; R118-D122 IonicContact NE-OD2 3.04Å; R118-D122 PolarHBondContact NE-OD2 3Å; R118-D122 IonicContact NH2-OD1 3.75Å; R118-D122 PolarHBondContact NH2-OD1 2.99Å; R118-D122 IonicContact NH2-OD2 2.8Å; R118-D122 PolarHBondContact O-N 3.26Å; Q119-D122 PolarHBondContact O-N 2.84Å; Q119-D122 VanDerWaalsContact O-N 3.11Å; D122-Y124 PolarHBondContact O-N 3.19Å; D122-L125 WeakPolarHBondContact O-CB 3.36Å; D122-L125 PolarHBondContact O-N 3.4Å; D122-D126 PolarHBondContact O-N 3.1Å |
| 123 | E | 94.7 | Very high | 96 | Very high | 93 Ų | 93 | 46.7 Ų | 46.7 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 171.8 | -71.6 | 175.1 | -170.6 | 0 | 0 | 112.2 | Q119 Y120 D126 N127 | Q119-E123 WeakPolarHBondContact O-CG 3.41Å; Q119-E123 PolarHBondContact O-N 2.89Å; Y120-E123 PolarHBondContact O-N 2.92Å; E123-D126 PolarHBondContact O-N 3.12Å; E123-N127 WeakPolarHBondContact O-CB 3.5Å; E123-N127 PolarHBondContact O-N 2.95Å; E123-N127 PolarHBondContact O-ND2 3.02Å |
| 124 | Y | 94.9 | Very high | 96 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -48.3 | 174 | 164.8 | -120.9 | 0 | 0 | 0 | 111.7 | M1 C53 N74 Y76 P78 Y120 T121 D122 D126 N127 I128 | M1-Y124 HydrophobicContact CE-CE1 4.26Å; M1-Y124 HydrophobicContact CG-CE1 4.2Å; M1-Y124 HydrophobicContact SD-CE1 3.96Å; C53-Y124 HydrophobicContact CB-CD1 4.15Å; C53-Y124 HydrophobicContact CB-CE1 4.08Å; N74-Y124 PolarHBondContact ND2-OH 3.23Å; Y76-Y124 WeakPolarHBondContact O-CD2 3.26Å; P78-Y124 HydrophobicContact CG-CG 4Å; Y120-Y124 WeakPolarHBondContact O-CB 3.29Å; Y120-Y124 PolarHBondContact O-N 3.49Å; T121-Y124 WeakPolarHBondContact O-CB 3.37Å; T121-Y124 PolarHBondContact O-N 3.31Å; D122-Y124 PolarHBondContact O-N 3.19Å; Y124-D126 VanDerWaalsContact C-N 3.29Å; Y124-D126 PolarHBondContact O-N 3.08Å; Y124-N127 PolarHBondContact O-N 2.93Å; Y124-I128 HydrophobicContact CD2-CG2 3.84Å; Y124-I128 HydrophobicContact CE1-CD1 4.08Å; Y124-I128 HydrophobicContact CE2-CD1 4.06Å; Y124-I128 HydrophobicContact CE2-CG2 3.47Å; Y124-I128 VanDerWaalsContact CE2-CG2 3.47Å; Y124-I128 WeakPolarHBondContact O-CG1 3.23Å; Y124-I128 PolarHBondContact O-N 2.87Å; Y124-I128 VanDerWaalsContact O-N 3.08Å |
| 125 | L | 94.9 | Very high | 96 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -41.9 | 177.2 | -76.6 | 175.7 | 0 | 0 | 0 | 111.8 | M1 T121 D122 I128 T129 | M1-L125 HydrophobicContact CB-CD2 3.82Å; M1-L125 HydrophobicContact CG-CD2 3.56Å; M1-L125 HydrophobicContact CG-CG 4.31Å; T121-L125 WeakPolarHBondContact O-CG 3.44Å; T121-L125 PolarHBondContact O-N 3.16Å; D122-L125 WeakPolarHBondContact O-CB 3.36Å; D122-L125 PolarHBondContact O-N 3.4Å; L125-I128 HydrophobicContact CD2-CD1 4.42Å; L125-T129 WeakPolarHBondContact O-CB 3.45Å; L125-T129 PolarHBondContact O-N 3.06Å; L125-T129 VanDerWaalsContact O-N 3.1Å; L125-T129 PolarHBondContact O-OG1 3.28Å |
| 126 | D | 94.2 | Very high | 96 | Very high | 85 Ų | 85 | 46.8 Ų | 46.8 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.6 | -77.5 | -18.3 | 0 | 0 | 0 | 111.7 | D122 E123 Y124 K134 | D122-D126 PolarHBondContact O-N 3.1Å; E123-D126 PolarHBondContact O-N 3.12Å; Y124-D126 VanDerWaalsContact C-N 3.29Å; Y124-D126 PolarHBondContact O-N 3.08Å; D126-K134 WeakPolarHBondContact O-CE 3.45Å; D126-K134 PolarHBondContact O-NZ 3.19Å |
| 127 | N | 92.3 | Very high | 96 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 65% | 0.647 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.6 | -35.9 | -179.2 | -74.2 | -27.8 | 0 | 0 | 0 | 113.4 | E123 Y124 | E123-N127 WeakPolarHBondContact O-CB 3.5Å; E123-N127 PolarHBondContact O-N 2.95Å; E123-N127 PolarHBondContact O-ND2 3.02Å; Y124-N127 PolarHBondContact O-N 2.93Å |
| 128 | I | 94.5 | Very high | 96 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -86 | -21.8 | -179.5 | 68.9 | 176.4 | 0 | 0 | 0 | 113.5 | M1 Y76 Y124 L125 | M1-I128 HydrophobicContact CE-CD1 4.31Å; Y76-I128 HydrophobicContact CD2-CG2 4.36Å; Y76-I128 HydrophobicContact CG-CG2 4.07Å; Y124-I128 HydrophobicContact CD2-CG2 3.84Å; Y124-I128 HydrophobicContact CE1-CD1 4.08Å; Y124-I128 HydrophobicContact CE2-CD1 4.06Å; Y124-I128 HydrophobicContact CE2-CG2 3.47Å; Y124-I128 VanDerWaalsContact CE2-CG2 3.47Å; Y124-I128 WeakPolarHBondContact O-CG1 3.23Å; Y124-I128 PolarHBondContact O-N 2.87Å; Y124-I128 VanDerWaalsContact O-N 3.08Å; L125-I128 HydrophobicContact CD2-CD1 4.42Å |
| 129 | T | 97.3 | Very high | 95.9 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -82.5 | 120.8 | -179.4 | -52.8 | 0 | 0 | 0 | 0 | 109.6 | L125 T133 K134 F137 | L125-T129 WeakPolarHBondContact O-CB 3.45Å; L125-T129 PolarHBondContact O-N 3.06Å; L125-T129 VanDerWaalsContact O-N 3.1Å; L125-T129 PolarHBondContact O-OG1 3.28Å; T129-T133 HydrophobicContact CG2-CG2 4.16Å; T129-K134 HydrophobicContact CG2-CB 3.79Å; T129-K134 VanDerWaalsContact O-CE 3.28Å; T129-K134 WeakPolarHBondContact O-CE 3.44Å; T129-F137 HydrophobicContact CG2-CD2 4.48Å |
| 130 | P | 97.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | trans | -72.6 | 158.8 | -175.9 | 34.2 | -38.5 | 0 | 0 | 0 | 111.9 | F132 T133 K134 Y203 E410 A414 | P130-F132 PolarHBondContact O-N 3.36Å; P130-T133 PolarHBondContact O-N 3.31Å; P130-K134 VanDerWaalsContact O-CB 3.32Å; P130-K134 WeakPolarHBondContact O-CB 3.48Å; P130-K134 PolarHBondContact O-N 2.78Å; P130-Y203 HydrophobicContact CB-CD2 4.44Å; P130-Y203 HydrophobicContact CB-CE1 4.33Å; P130-Y203 HydrophobicContact CB-CE2 4.11Å; P130-E410 VanDerWaalsContact CB-CD 3.41Å; P130-E410 HydrophobicContact CB-CG 3.64Å; P130-E410 HydrophobicContact CG-CB 4.47Å; P130-E410 HydrophobicContact CG-CG 3.73Å; P130-E410 WeakPolarHBondContact CG-OE2 3.47Å; P130-A414 HydrophobicContact CB-CB 4.09Å; P130-A414 HydrophobicContact CG-CB 3.78Å | ||
| 131 | P | 98 | Very high | 95.6 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -51.2 | -53.4 | -165.8 | -29.9 | 35.1 | 0 | 0 | 0 | 116.8 | K134 A135 E199 E410 | P131-K134 PolarHBondContact O-N 2.93Å; P131-A135 WeakPolarHBondContact O-CB 3.43Å; P131-A135 PolarHBondContact O-N 3.22Å; P131-E199 HydrophobicContact CB-CB 3.79Å; P131-E199 WeakPolarHBondContact CB-OE2 3.47Å; P131-E199 HydrophobicContact CG-CB 4.09Å; P131-E410 VanDerWaalsContact CD-OE1 3.28Å; P131-E410 WeakPolarHBondContact CD-OE1 3.34Å; P131-E410 VanDerWaalsContact N-OE1 3.14Å |
| 132 | F | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.8 | -45.5 | -177 | 173.9 | -95.6 | 0 | 0 | 0 | 111.6 | P130 K134 A135 L136 L187 P196 H197 A200 Y403 V406 A407 E410 | P130-F132 PolarHBondContact O-N 3.36Å; F132-K134 VanDerWaalsContact C-N 3.3Å; F132-K134 PolarHBondContact O-N 3.4Å; F132-A135 PolarHBondContact O-N 2.99Å; F132-L136 HydrophobicContact CE1-CD2 4.25Å; F132-L136 WeakPolarHBondContact O-CB 3.02Å; F132-L136 PolarHBondContact O-N 3.13Å; F132-L187 HydrophobicContact CE2-CB 4.39Å; F132-L187 HydrophobicContact CE2-CD2 4.48Å; F132-P196 HydrophobicContact CB-CB 4.2Å; F132-P196 HydrophobicContact CD2-CB 4.09Å; F132-H197 AromaticContact CD2-CE1 3.89Å; F132-H197 AromaticContact CD2-ND1 3.89Å; F132-H197 AromaticContact CE2-CD2 3.86Å; F132-H197 AromaticContact CE2-CE1 3.2Å; F132-H197 WeakPolarHBondContact CE2-CE1 3.28Å; F132-H197 AromaticContact CE2-ND1 3.67Å; F132-H197 AromaticContact CE2-NE2 3.32Å; F132-H197 VanDerWaalsContact CE2-NE2 3.32Å; F132-H197 WeakPolarHBondContact CE2-NE2 3.29Å; F132-H197 AromaticContact CZ-CE1 3.99Å; F132-H197 AromaticContact CZ-NE2 3.74Å; F132-A200 HydrophobicContact CB-CB 3.8Å; F132-Y403 HydrophobicContact CE2-CD2 4.2Å; F132-Y403 HydrophobicContact CE2-CE2 4.35Å; F132-Y403 HydrophobicContact CZ-CD1 4.4Å; F132-Y403 AromaticContact CZ-CD2 3.73Å; F132-Y403 HydrophobicContact CZ-CD2 3.73Å; F132-Y403 HydrophobicContact CZ-CE2 4.3Å; F132-Y403 AromaticContact CZ-CG 3.8Å; F132-Y403 HydrophobicContact CZ-CG 3.8Å; F132-V406 HydrophobicContact CD1-CB 4.39Å; F132-V406 HydrophobicContact CD1-CG1 3.75Å; F132-V406 HydrophobicContact CE1-CB 3.73Å; F132-V406 HydrophobicContact CE1-CG1 3.49Å; F132-V406 VanDerWaalsContact CE1-CG1 3.49Å; F132-V406 HydrophobicContact CE2-CG1 4.41Å; F132-V406 HydrophobicContact CG-CG1 4.3Å; F132-V406 HydrophobicContact CZ-CB 4.11Å; F132-V406 HydrophobicContact CZ-CG1 3.85Å; F132-A407 HydrophobicContact CD1-CB 4.12Å; F132-A407 HydrophobicContact CE1-CB 3.94Å; F132-E410 WeakPolarHBondContact CB-OE2 3.38Å; F132-E410 PolarHBondContact N-OE1 3.09Å; F132-E410 PolarHBondContact N-OE2 3.29Å |
| 133 | T | 98.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | T129 P130 L136 F137 A407 E410 T411 | T129-T133 HydrophobicContact CG2-CG2 4.16Å; P130-T133 PolarHBondContact O-N 3.31Å; T133-L136 PolarHBondContact O-N 3.2Å; T133-F137 HydrophobicContact CG2-CD1 4.3Å; T133-F137 HydrophobicContact CG2-CD2 4.24Å; T133-F137 HydrophobicContact CG2-CE1 3.83Å; T133-F137 HydrophobicContact CG2-CE2 3.76Å; T133-F137 HydrophobicContact CG2-CG 4.5Å; T133-F137 HydrophobicContact CG2-CZ 3.53Å; T133-F137 WeakPolarHBondContact O-CB 3.4Å; T133-F137 WeakPolarHBondContact O-CD1 3.48Å; T133-F137 VanDerWaalsContact O-CG 3.28Å; T133-F137 WeakPolarHBondContact O-CG 3.32Å; T133-F137 PolarHBondContact O-N 3.44Å; T133-A407 HydrophobicContact CG2-CB 4.46Å; T133-A407 PolarHBondContact OG1-O 2.98Å; T133-E410 WeakPolarHBondContact CB-OE2 3.2Å; T133-E410 PolarHBondContact N-OE2 3.14Å; T133-E410 PolarHBondContact OG1-OE2 2.83Å; T133-T411 PolarHBondContact OG1-OG1 3.5Å |
| 134 | K | 97.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 29% | 0.291 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 174.7 | -175.4 | -174 | -62 | 178.4 | 0 | 111.4 | D126 T129 P130 P131 F132 L136 F137 T138 | D126-K134 WeakPolarHBondContact O-CE 3.45Å; D126-K134 PolarHBondContact O-NZ 3.19Å; T129-K134 HydrophobicContact CG2-CB 3.79Å; T129-K134 VanDerWaalsContact O-CE 3.28Å; T129-K134 WeakPolarHBondContact O-CE 3.44Å; P130-K134 VanDerWaalsContact O-CB 3.32Å; P130-K134 WeakPolarHBondContact O-CB 3.48Å; P130-K134 PolarHBondContact O-N 2.78Å; P131-K134 PolarHBondContact O-N 2.93Å; F132-K134 VanDerWaalsContact C-N 3.3Å; F132-K134 PolarHBondContact O-N 3.4Å; K134-L136 VanDerWaalsContact C-N 3.33Å; K134-L136 PolarHBondContact O-N 2.99Å; K134-F137 PolarHBondContact O-N 3.17Å; K134-T138 WeakPolarHBondContact O-CB 3.49Å; K134-T138 PolarHBondContact O-N 3.38Å; K134-T138 PolarHBondContact O-OG1 3.49Å |
| 135 | A | 97.3 | Very high | 92.6 | Very high | 26 Ų | 26 | 69.7 Ų | 69.7 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | P131 F132 T138 Y139 L187 P196 | P131-A135 WeakPolarHBondContact O-CB 3.43Å; P131-A135 PolarHBondContact O-N 3.22Å; F132-A135 PolarHBondContact O-N 2.99Å; A135-T138 PolarHBondContact O-N 2.9Å; A135-Y139 PolarHBondContact O-N 3.23Å; A135-L187 HydrophobicContact CB-CD2 3.54Å; A135-P196 HydrophobicContact CB-CB 4.11Å; A135-P196 HydrophobicContact CB-CG 3.89Å |
| 136 | L | 97 | Very high | 91.6 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 177 | -177.1 | 62.4 | 0 | 0 | 0 | 112 | F132 T133 K134 T138 Y139 V140 A178 V180 L187 Y403 A407 | F132-L136 HydrophobicContact CE1-CD2 4.25Å; F132-L136 WeakPolarHBondContact O-CB 3.02Å; F132-L136 PolarHBondContact O-N 3.13Å; T133-L136 PolarHBondContact O-N 3.2Å; K134-L136 VanDerWaalsContact C-N 3.33Å; K134-L136 PolarHBondContact O-N 2.99Å; L136-T138 VanDerWaalsContact C-N 3.3Å; L136-T138 PolarHBondContact O-N 3.25Å; L136-Y139 PolarHBondContact O-N 3.1Å; L136-V140 WeakPolarHBondContact O-CG2 3.29Å; L136-V140 PolarHBondContact O-N 3.21Å; L136-A178 HydrophobicContact CD1-CB 4.29Å; L136-A178 HydrophobicContact CD2-CB 4.21Å; L136-A178 HydrophobicContact CG-CB 4.32Å; L136-V180 HydrophobicContact CD1-CG2 4.2Å; L136-L187 HydrophobicContact CB-CD2 4.36Å; L136-L187 HydrophobicContact CD1-CD1 3.93Å; L136-Y403 HydrophobicContact CD1-CD2 4.42Å; L136-A407 HydrophobicContact CD2-CB 3.8Å |
| 137 | F | 96.3 | Very high | 91.1 | Very high | 106 Ų | 106 | 74.6 Ų | 74.6 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 177.4 | -72.3 | 0.9 | 0 | 0 | 0 | 112.1 | T129 T133 K134 V140 K141 | T129-F137 HydrophobicContact CG2-CD2 4.48Å; T133-F137 HydrophobicContact CG2-CD1 4.3Å; T133-F137 HydrophobicContact CG2-CD2 4.24Å; T133-F137 HydrophobicContact CG2-CE1 3.83Å; T133-F137 HydrophobicContact CG2-CE2 3.76Å; T133-F137 HydrophobicContact CG2-CG 4.5Å; T133-F137 HydrophobicContact CG2-CZ 3.53Å; T133-F137 WeakPolarHBondContact O-CB 3.4Å; T133-F137 WeakPolarHBondContact O-CD1 3.48Å; T133-F137 VanDerWaalsContact O-CG 3.28Å; T133-F137 WeakPolarHBondContact O-CG 3.32Å; T133-F137 PolarHBondContact O-N 3.44Å; K134-F137 PolarHBondContact O-N 3.17Å; F137-V140 PolarHBondContact O-N 3.01Å; F137-K141 VanDerWaalsContact O-CG 3.26Å; F137-K141 WeakPolarHBondContact O-CG 3.37Å; F137-K141 PolarHBondContact O-N 2.81Å |
| 138 | T | 95.1 | Very high | 90.7 | Very high | 60 Ų | 60 | 71 Ų | 71 | 37% | 0.368 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -50.1 | 176.3 | -58.4 | 0 | 0 | 0 | 0 | 110.5 | K134 A135 L136 V140 K141 E142 | K134-T138 WeakPolarHBondContact O-CB 3.49Å; K134-T138 PolarHBondContact O-N 3.38Å; K134-T138 PolarHBondContact O-OG1 3.49Å; A135-T138 PolarHBondContact O-N 2.9Å; L136-T138 VanDerWaalsContact C-N 3.3Å; L136-T138 PolarHBondContact O-N 3.25Å; T138-V140 VanDerWaalsContact C-N 3.33Å; T138-V140 PolarHBondContact O-N 3.37Å; T138-K141 WeakPolarHBondContact O-CB 3.39Å; T138-K141 PolarHBondContact O-N 3.18Å; T138-E142 HydrophobicContact CG2-CG 4.48Å; T138-E142 WeakPolarHBondContact O-CG 3.16Å; T138-E142 PolarHBondContact O-N 3.37Å |
| 139 | Y | 93.9 | Very high | 90.5 | Very high | 23 Ų | 23 | 73 Ų | 73 | 9% | 0.09 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.4 | -46.8 | 175.3 | 170.6 | -92.5 | 0 | 0 | 0 | 112.5 | A135 L136 K141 E142 K144 T146 V180 V184 E186 | A135-Y139 PolarHBondContact O-N 3.23Å; L136-Y139 PolarHBondContact O-N 3.1Å; Y139-K141 VanDerWaalsContact C-N 3.29Å; Y139-K141 PolarHBondContact O-N 3.47Å; Y139-E142 PolarHBondContact O-N 3.35Å; Y139-K144 HydrophobicContact CE2-CD 4.42Å; Y139-T146 WeakPolarHBondContact OH-CG2 3.19Å; Y139-V180 HydrophobicContact CD1-CG1 4.21Å; Y139-V180 HydrophobicContact CE1-CG1 3.46Å; Y139-V180 VanDerWaalsContact CE1-CG1 3.46Å; Y139-V184 HydrophobicContact CD2-CG1 3.38Å; Y139-V184 HydrophobicContact CD2-CG2 4.35Å; Y139-V184 HydrophobicContact CE1-CG2 4.26Å; Y139-V184 HydrophobicContact CE2-CB 4.22Å; Y139-V184 HydrophobicContact CE2-CG1 3.47Å; Y139-V184 VanDerWaalsContact CE2-CG1 3.47Å; Y139-V184 HydrophobicContact CE2-CG2 3.63Å; Y139-V184 HydrophobicContact CG-CG1 3.96Å; Y139-E186 WeakPolarHBondContact CD2-OE1 3.38Å |
| 140 | V | 93.8 | Very high | 90.3 | Very high | 16 Ų | 16 | 73.1 Ų | 73.1 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.8 | -36 | 179 | 171 | 0 | 0 | 0 | 0 | 111.9 | L136 F137 T138 K177 A178 | L136-V140 WeakPolarHBondContact O-CG2 3.29Å; L136-V140 PolarHBondContact O-N 3.21Å; F137-V140 PolarHBondContact O-N 3.01Å; T138-V140 VanDerWaalsContact C-N 3.33Å; T138-V140 PolarHBondContact O-N 3.37Å; V140-K177 HydrophobicContact CG1-CB 3.83Å; V140-K177 HydrophobicContact CG1-CD 4.27Å; V140-K177 HydrophobicContact CG2-CB 4.15Å; V140-A178 HydrophobicContact CG2-CB 4.08Å |
| 141 | K | 92.4 | Very high | 90.2 | Very high | 161 Ų | 161 | 76 Ų | 76 | 70% | 0.7 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -71.6 | -35.2 | 177.2 | -74.3 | 171.2 | -176.3 | 176 | 0 | 112.7 | F137 T138 Y139 R143 | F137-K141 VanDerWaalsContact O-CG 3.26Å; F137-K141 WeakPolarHBondContact O-CG 3.37Å; F137-K141 PolarHBondContact O-N 2.81Å; T138-K141 WeakPolarHBondContact O-CB 3.39Å; T138-K141 PolarHBondContact O-N 3.18Å; Y139-K141 VanDerWaalsContact C-N 3.29Å; Y139-K141 PolarHBondContact O-N 3.47Å; K141-R143 PolarHBondContact O-N 2.82Å |
| 142 | E | 89.1 | Confident | 90 | Very high | 99 Ų | 99 | 75.3 Ų | 75.3 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.9 | -18 | -178.3 | -73.8 | 178.5 | 173.9 | 0 | 0 | 113.8 | T138 Y139 K144 | T138-E142 HydrophobicContact CG2-CG 4.48Å; T138-E142 WeakPolarHBondContact O-CG 3.16Å; T138-E142 PolarHBondContact O-N 3.37Å; Y139-E142 PolarHBondContact O-N 3.35Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 HydrophobicContact CB-CG 4.36Å; E142-K144 PolarHBondContact O-N 3.44Å; E142-K144 WeakPolarHBondContact OE2-CE 3.41Å; E142-K144 IonicContact OE2-NZ 3.32Å; E142-K144 PolarHBondContact OE2-NZ 3.44Å |
| 143 | R | 77.7 | Confident | 89.8 | Confident | 199 Ų | 199 | 79 Ų | 79 | 75% | 0.751 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 41.2 | 174.7 | -61.8 | -178.7 | -176.6 | -165.9 | 2.6 | 113.9 | K141 | K141-R143 PolarHBondContact O-N 2.82Š|
| 144 | K | 78.2 | Confident | 89.5 | Confident | 103 Ų | 103 | 79.9 Ų | 79.9 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | trans | -61.1 | 138.8 | 176 | -68.4 | 172.5 | 175.2 | 152 | 0 | 110.7 | Y139 E142 E186 | Y139-K144 HydrophobicContact CE2-CD 4.42Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 HydrophobicContact CB-CG 4.36Å; E142-K144 PolarHBondContact O-N 3.44Å; E142-K144 WeakPolarHBondContact OE2-CE 3.41Å; E142-K144 IonicContact OE2-NZ 3.32Å; E142-K144 PolarHBondContact OE2-NZ 3.44Å; K144-E186 IonicContact NZ-OE1 3.14Å; K144-E186 PolarHBondContact NZ-OE1 3.41Å | ||
| 145 | Y | 69.8 | Low | 89.4 | Confident | 229 Ų | 229 | 76.7 Ų | 76.7 | 90% | 0.898 | 38% | 0.383 | S | S | * | . | trans | -70.3 | 129.9 | 168.4 | -75.4 | -76.2 | 0 | 0 | 0 | 109.4 | ||||
| 146 | T | 75.2 | Confident | 89.2 | Confident | 38 Ų | 38 | 79 Ų | 79 | 23% | 0.233 | 39% | 0.394 | C | S | . | . | trans | -119.5 | 138.4 | -179.8 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | Y139 | Y139-T146 WeakPolarHBondContact OH-CG2 3.19Š| ||
| 147 | F | 83.1 | Confident | 89.2 | Confident | 195 Ų | 195 | 81.3 Ų | 81.3 | 86% | 0.855 | 41% | 0.414 | S | S | * | . | trans | -110.8 | 38.3 | 167.2 | -74 | -98.2 | 0 | 0 | 0 | 110.1 | ||||
| 148 | C | 83.3 | Confident | 89.2 | Confident | 46 Ų | 46 | 80.1 Ų | 80.1 | 31% | 0.311 | 41% | 0.407 | S | S | . | . | trans | -118.5 | 168.1 | -167.6 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 149 | T | 89.9 | Confident | 89.3 | Confident | 90 Ų | 90 | 81.5 Ų | 81.5 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -71.2 | 150.5 | 164.5 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | S181 | T149-S181 PolarHBondContact O-OG 2.67Å; T149-S181 PolarHBondContact OG1-OG 2.94Å |
| 150 | P | 94.5 | Very high | 89.5 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | S | Bend | cis | -71.6 | 154 | 1.2 | -19.5 | 33.1 | 0 | 0 | 0 | 114.8 | H152 M153 D179 | P150-H152 WeakPolarHBondContact CB-NE2 3.22Å; P150-H152 PolarHBondContact O-N 3.47Å; P150-M153 PolarHBondContact O-N 3.35Å; P150-D179 WeakPolarHBondContact CD-O 3.33Å |
| 151 | G | 94.6 | Very high | 89.7 | Confident | 66 Ų | 66 | 90.2 Ų | 90.2 | 68% | 0.68 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | M153 | G151-M153 VanDerWaalsContact C-N 3.32Š|
| 152 | H | 95.2 | Very high | 89.9 | Confident | 19 Ų | 19 | 88 Ų | 88 | 9% | 0.088 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -14.4 | 173 | 66 | 76.3 | 0 | 0 | 0 | 113.6 | P150 G154 G155 T156 A157 Y158 L176 D179 | P150-H152 WeakPolarHBondContact CB-NE2 3.22Å; P150-H152 PolarHBondContact O-N 3.47Å; H152-G154 PolarHBondContact ND1-N 3.13Å; H152-G155 PolarHBondContact ND1-N 3.05Å; H152-G155 VanDerWaalsContact ND1-N 3.12Å; H152-G155 CarbonylContact O-C 3.59Å; H152-G155 PolarHBondContact O-N 2.87Å; H152-G155 VanDerWaalsContact O-N 3.09Å; H152-T156 PolarHBondContact O-N 3.33Å; H152-A157 HydrophobicContact CB-CB 4.19Å; H152-A157 PolarHBondContact O-N 3.19Å; H152-A157 VanDerWaalsContact O-N 3.09Å; H152-Y158 HydrophobicContact CB-CD2 3.93Å; H152-Y158 HydrophobicContact CB-CE2 3.77Å; H152-Y158 AromaticContact CG-CE2 3.94Å; H152-L176 PolarHBondContact CE1-O 2.64Å; H152-L176 VanDerWaalsContact CE1-O 3.28Å; H152-D179 IonicContact CE1-OD2 2.77Å; H152-D179 IonicContact NE2-OD2 3.53Å; H152-D179 PolarHBondContact NE2-OD2 3.31Å |
| 153 | M | 93.5 | Very high | 90.3 | Very high | 77 Ų | 77 | 88.3 Ų | 88.3 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 67.8 | 174.7 | -61 | -179.1 | 172.1 | 0 | 0 | 112.9 | P150 G151 G155 T156 | P150-M153 PolarHBondContact O-N 3.35Å; G151-M153 VanDerWaalsContact C-N 3.32Å; M153-G155 PolarHBondContact O-N 3.27Å; M153-G155 VanDerWaalsContact O-N 3.17Å; M153-T156 WeakPolarHBondContact O-CB 3.14Å; M153-T156 PolarHBondContact O-N 3.04Å; M153-T156 PolarHBondContact O-OG1 3.35Å; M153-T156 VanDerWaalsContact O-OG1 3.1Å |
| 154 | G | 92.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 79.1 Ų | 79.1 | 21% | 0.206 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 13.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H152 L176 | H152-G154 PolarHBondContact ND1-N 3.13Å; G154-L176 CarbonylContact C-O 3.5Å; G154-L176 VanDerWaalsContact CA-O 3.28Å; G154-L176 WeakPolarHBondContact CA-O 3.31Å |
| 155 | G | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | 1.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H152 M153 A157 Y158 Q159 | H152-G155 PolarHBondContact ND1-N 3.05Å; H152-G155 VanDerWaalsContact ND1-N 3.12Å; H152-G155 CarbonylContact O-C 3.59Å; H152-G155 PolarHBondContact O-N 2.87Å; H152-G155 VanDerWaalsContact O-N 3.09Å; M153-G155 PolarHBondContact O-N 3.27Å; M153-G155 VanDerWaalsContact O-N 3.17Å; G155-A157 VanDerWaalsContact C-N 3.32Å; G155-A157 PolarHBondContact O-N 2.76Å; G155-Y158 WeakPolarHBondContact O-CB 3.42Å; G155-Y158 PolarHBondContact O-N 3.13Å; G155-Q159 PolarHBondContact O-N 2.99Å |
| 156 | T | 94.7 | Very high | 93.6 | Very high | 75 Ų | 75 | 71.2 Ų | 71.2 | 46% | 0.46 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -37.2 | -179.1 | -63.5 | 0 | 0 | 0 | 0 | 112.4 | H152 M153 Q159 | H152-T156 PolarHBondContact O-N 3.33Å; M153-T156 WeakPolarHBondContact O-CB 3.14Å; M153-T156 PolarHBondContact O-N 3.04Å; M153-T156 PolarHBondContact O-OG1 3.35Å; M153-T156 VanDerWaalsContact O-OG1 3.1Å; T156-Q159 PolarHBondContact O-N 2.71Å |
| 157 | A | 96.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 73.3 Ų | 73.3 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -37.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H152 G155 Q159 K160 | H152-A157 HydrophobicContact CB-CB 4.19Å; H152-A157 PolarHBondContact O-N 3.19Å; H152-A157 VanDerWaalsContact O-N 3.09Å; G155-A157 VanDerWaalsContact C-N 3.32Å; G155-A157 PolarHBondContact O-N 2.76Å; A157-Q159 VanDerWaalsContact C-N 3.25Å; A157-Q159 PolarHBondContact O-N 3.25Å; A157-K160 WeakPolarHBondContact O-CB 3.45Å; A157-K160 PolarHBondContact O-N 2.97Å |
| 158 | Y | 97.1 | Very high | 95.4 | Very high | 82 Ų | 82 | 65.8 Ų | 65.8 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -59.8 | -39.1 | 177.1 | -74.5 | -63.3 | 0 | 0 | 0 | 111.4 | H152 G155 K160 S161 G164 C165 F167 L176 | H152-Y158 HydrophobicContact CB-CD2 3.93Å; H152-Y158 HydrophobicContact CB-CE2 3.77Å; H152-Y158 AromaticContact CG-CE2 3.94Å; G155-Y158 WeakPolarHBondContact O-CB 3.42Å; G155-Y158 PolarHBondContact O-N 3.13Å; Y158-K160 PolarHBondContact O-N 2.88Å; Y158-S161 PolarHBondContact O-N 2.86Å; Y158-S161 VanDerWaalsContact O-N 3.14Å; Y158-G164 CarbonylContact O-C 3.51Å; Y158-G164 WeakPolarHBondContact O-CA 3.5Å; Y158-C165 PolarHBondContact O-N 3.25Å; Y158-F167 HydrophobicContact CD1-CD1 4.07Å; Y158-F167 HydrophobicContact CD2-CD1 4.34Å; Y158-F167 AromaticContact CE1-CD1 3.9Å; Y158-F167 HydrophobicContact CE1-CD1 3.9Å; Y158-F167 HydrophobicContact CE1-CE1 4.2Å; Y158-F167 HydrophobicContact CE1-CG 4.43Å; Y158-F167 HydrophobicContact CE2-CD1 4.19Å; Y158-F167 HydrophobicContact CE2-CE1 4.1Å; Y158-F167 HydrophobicContact CG-CD1 4.3Å; Y158-F167 AromaticContact CZ-CD1 3.96Å; Y158-F167 AromaticContact CZ-CE1 3.85Å; Y158-L176 HydrophobicContact CD2-CD1 4.1Å; Y158-L176 HydrophobicContact CD2-CD2 4.31Å; Y158-L176 HydrophobicContact CE2-CD2 4.07Å |
| 159 | Q | 96.6 | Very high | 96.1 | Very high | 89 Ų | 89 | 69.3 Ų | 69.3 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -67.5 | -3.9 | 177.3 | -64 | -177.3 | -20.1 | 0 | 0 | 114.6 | G155 T156 A157 Y168 | G155-Q159 PolarHBondContact O-N 2.99Å; T156-Q159 PolarHBondContact O-N 2.71Å; A157-Q159 VanDerWaalsContact C-N 3.25Å; A157-Q159 PolarHBondContact O-N 3.25Å; Q159-Y168 HydrophobicContact CG-CD1 4.36Å; Q159-Y168 HydrophobicContact CG-CD2 3.85Å; Q159-Y168 HydrophobicContact CG-CE2 4.25Å; Q159-Y168 HydrophobicContact CG-CG 3.96Å; Q159-Y168 VanDerWaalsContact NE2-CE2 3.35Å |
| 160 | K | 97.4 | Very high | 96.5 | Very high | 173 Ų | 173 | 73.1 Ų | 73.1 | 75% | 0.752 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -94.2 | -1.1 | 174.8 | -54.5 | -55.9 | -179.5 | -175.7 | 0 | 113.5 | A157 Y158 | A157-K160 WeakPolarHBondContact O-CB 3.45Å; A157-K160 PolarHBondContact O-N 2.97Å; Y158-K160 PolarHBondContact O-N 2.88Å |
| 161 | S | 97.5 | Very high | 96.6 | Very high | 48 Ų | 48 | 76 Ų | 76 | 34% | 0.336 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -128.1 | 135.3 | 179.9 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | Y158 V163 G164 C165 | Y158-S161 PolarHBondContact O-N 2.86Å; Y158-S161 VanDerWaalsContact O-N 3.14Å; S161-V163 VanDerWaalsContact C-N 3.33Å; S161-V163 PolarHBondContact O-N 3.26Å; S161-V163 WeakPolarHBondContact OG-CG1 3.41Å; S161-G164 CarbonylContact O-C 3.28Å; S161-G164 WeakPolarHBondContact O-CA 3.11Å; S161-G164 PolarHBondContact O-N 3.37Å; S161-C165 PolarHBondContact O-N 2.62Å; S161-C165 PolarHBondContact O-SG 3.43Å |
| 162 | P | 97.8 | Very high | 96.6 | Very high | 114 Ų | 114 | 74.1 Ų | 74.1 | 74% | 0.74 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -54.8 | -43.8 | 178 | -27.5 | 35.2 | 0 | 0 | 0 | 113.7 | G164 C165 L166 | P162-G164 VanDerWaalsContact C-N 3.32Å; P162-C165 PolarHBondContact O-N 3Å; P162-L166 PolarHBondContact O-N 3.16Å |
| 163 | V | 98 | Very high | 96.5 | Very high | 106 Ų | 106 | 73.9 Ų | 73.9 | 64% | 0.642 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -71.2 | -29.5 | 175.1 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | S161 L166 F167 | S161-V163 VanDerWaalsContact C-N 3.33Å; S161-V163 PolarHBondContact O-N 3.26Å; S161-V163 WeakPolarHBondContact OG-CG1 3.41Å; V163-L166 WeakPolarHBondContact O-CB 3.19Å; V163-L166 PolarHBondContact O-N 2.92Å; V163-F167 PolarHBondContact O-N 2.76Å |
| 164 | G | 97.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 75.9 Ų | 75.9 | 6% | 0.062 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.2 | -34.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y158 S161 P162 F167 Y168 | Y158-G164 CarbonylContact O-C 3.51Å; Y158-G164 WeakPolarHBondContact O-CA 3.5Å; S161-G164 CarbonylContact O-C 3.28Å; S161-G164 WeakPolarHBondContact O-CA 3.11Å; S161-G164 PolarHBondContact O-N 3.37Å; P162-G164 VanDerWaalsContact C-N 3.32Å; G164-F167 WeakPolarHBondContact O-CB 3.12Å; G164-F167 PolarHBondContact O-N 2.75Å; G164-Y168 WeakPolarHBondContact O-CB 3.47Å; G164-Y168 PolarHBondContact O-N 2.88Å |
| 165 | C | 97.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 78 Ų | 78 | 30% | 0.297 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 171.9 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | Y158 S161 P162 F167 Y168 D169 | Y158-C165 PolarHBondContact O-N 3.25Å; S161-C165 PolarHBondContact O-N 2.62Å; S161-C165 PolarHBondContact O-SG 3.43Å; P162-C165 PolarHBondContact O-N 3Å; C165-F167 VanDerWaalsContact C-N 3.27Å; C165-F167 PolarHBondContact O-N 2.6Å; C165-Y168 PolarHBondContact O-N 2.96Å; C165-D169 WeakPolarHBondContact O-CB 3.39Å; C165-D169 VanDerWaalsContact O-CG 3.27Å; C165-D169 PolarHBondContact O-N 3.38Å |
| 166 | L | 98.2 | Very high | 96.8 | Very high | 122 Ų | 122 | 78.6 Ų | 78.6 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -57.2 | -42.6 | 174.1 | -62 | 177.3 | 0 | 0 | 0 | 111.4 | P162 V163 F170 | P162-L166 PolarHBondContact O-N 3.16Å; V163-L166 WeakPolarHBondContact O-CB 3.19Å; V163-L166 PolarHBondContact O-N 2.92Å; L166-F170 VanDerWaalsContact O-CB 3.26Å; L166-F170 WeakPolarHBondContact O-CB 3.26Å; L166-F170 PolarHBondContact O-N 2.84Å |
| 167 | F | 98.1 | Very high | 96.8 | Very high | 83 Ų | 83 | 78 Ų | 78 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 176.6 | -170.6 | -88.5 | 0 | 0 | 0 | 112.4 | Y158 V163 G164 C165 F170 F171 L176 | Y158-F167 HydrophobicContact CD1-CD1 4.07Å; Y158-F167 HydrophobicContact CD2-CD1 4.34Å; Y158-F167 AromaticContact CE1-CD1 3.9Å; Y158-F167 HydrophobicContact CE1-CD1 3.9Å; Y158-F167 HydrophobicContact CE1-CE1 4.2Å; Y158-F167 HydrophobicContact CE1-CG 4.43Å; Y158-F167 HydrophobicContact CE2-CD1 4.19Å; Y158-F167 HydrophobicContact CE2-CE1 4.1Å; Y158-F167 HydrophobicContact CG-CD1 4.3Å; Y158-F167 AromaticContact CZ-CD1 3.96Å; Y158-F167 AromaticContact CZ-CE1 3.85Å; V163-F167 PolarHBondContact O-N 2.76Å; G164-F167 WeakPolarHBondContact O-CB 3.12Å; G164-F167 PolarHBondContact O-N 2.75Å; C165-F167 VanDerWaalsContact C-N 3.27Å; C165-F167 PolarHBondContact O-N 2.6Å; F167-F170 PolarHBondContact O-N 2.82Å; F167-F171 AromaticContact CD1-CD2 3.99Å; F167-F171 HydrophobicContact CD1-CD2 3.99Å; F167-F171 HydrophobicContact CD1-CE2 4.49Å; F167-F171 HydrophobicContact CD2-CD2 4.14Å; F167-F171 AromaticContact CD2-CE2 3.96Å; F167-F171 HydrophobicContact CD2-CE2 3.96Å; F167-F171 AromaticContact CE1-CD2 3.64Å; F167-F171 HydrophobicContact CE1-CD2 3.64Å; F167-F171 AromaticContact CE1-CE2 3.95Å; F167-F171 HydrophobicContact CE1-CE2 3.95Å; F167-F171 AromaticContact CE2-CD2 3.83Å; F167-F171 HydrophobicContact CE2-CD2 3.83Å; F167-F171 AromaticContact CE2-CE2 3.35Å; F167-F171 HydrophobicContact CE2-CE2 3.35Å; F167-F171 HydrophobicContact CE2-CZ 4.39Å; F167-F171 HydrophobicContact CG-CD2 4.22Å; F167-F171 HydrophobicContact CG-CE2 4.5Å; F167-F171 AromaticContact CZ-CD2 3.55Å; F167-F171 HydrophobicContact CZ-CD2 3.55Å; F167-F171 AromaticContact CZ-CE2 3.33Å; F167-F171 HydrophobicContact CZ-CE2 3.33Å; F167-F171 HydrophobicContact CZ-CZ 4.27Å; F167-F171 PolarHBondContact O-N 2.87Å; F167-F171 VanDerWaalsContact O-N 3.12Å; F167-L176 HydrophobicContact CE1-CD2 4.19Å |
| 168 | Y | 97.9 | Very high | 96.7 | Very high | 37 Ų | 37 | 76.2 Ų | 76.2 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177.4 | -179.2 | -79.8 | 0 | 0 | 0 | 111.6 | Q159 G164 C165 F170 G172 G173 L176 | Q159-Y168 HydrophobicContact CG-CD1 4.36Å; Q159-Y168 HydrophobicContact CG-CD2 3.85Å; Q159-Y168 HydrophobicContact CG-CE2 4.25Å; Q159-Y168 HydrophobicContact CG-CG 3.96Å; Q159-Y168 VanDerWaalsContact NE2-CE2 3.35Å; G164-Y168 WeakPolarHBondContact O-CB 3.47Å; G164-Y168 PolarHBondContact O-N 2.88Å; C165-Y168 PolarHBondContact O-N 2.96Å; Y168-F170 VanDerWaalsContact C-N 3.35Å; Y168-G172 WeakPolarHBondContact O-CA 3.09Å; Y168-G172 PolarHBondContact O-N 3.21Å; Y168-G173 VanDerWaalsContact OH-CA 3.3Å; Y168-G173 WeakPolarHBondContact OH-CA 3.29Å; Y168-L176 HydrophobicContact CD2-CD1 3.31Å; Y168-L176 HydrophobicContact CE2-CD1 3.93Å; Y168-L176 HydrophobicContact CG-CD1 3.95Å |
| 169 | D | 97.8 | Very high | 96.7 | Very high | 120 Ų | 120 | 74.8 Ų | 74.8 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -70.2 | -33.4 | -178.8 | -67.8 | -21.8 | 0 | 0 | 0 | 111.6 | C165 | C165-D169 WeakPolarHBondContact O-CB 3.39Å; C165-D169 VanDerWaalsContact O-CG 3.27Å; C165-D169 PolarHBondContact O-N 3.38Å |
| 170 | F | 98 | Very high | 96.6 | Very high | 170 Ų | 170 | 71.1 Ų | 71.1 | 75% | 0.746 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.1 | -48.7 | 175.7 | -177.3 | -92.7 | 0 | 0 | 0 | 112.6 | L166 F167 Y168 | L166-F170 VanDerWaalsContact O-CB 3.26Å; L166-F170 WeakPolarHBondContact O-CB 3.26Å; L166-F170 PolarHBondContact O-N 2.84Å; F167-F170 PolarHBondContact O-N 2.82Å; Y168-F170 VanDerWaalsContact C-N 3.35Å |
| 171 | F | 97 | Very high | 96.4 | Very high | 95 Ų | 95 | 63.3 Ų | 63.3 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -83.7 | -25.1 | -178.4 | -81 | -77 | 0 | 0 | 0 | 114 | F167 T175 | F167-F171 AromaticContact CD1-CD2 3.99Å; F167-F171 HydrophobicContact CD1-CD2 3.99Å; F167-F171 HydrophobicContact CD1-CE2 4.49Å; F167-F171 HydrophobicContact CD2-CD2 4.14Å; F167-F171 AromaticContact CD2-CE2 3.96Å; F167-F171 HydrophobicContact CD2-CE2 3.96Å; F167-F171 AromaticContact CE1-CD2 3.64Å; F167-F171 HydrophobicContact CE1-CD2 3.64Å; F167-F171 AromaticContact CE1-CE2 3.95Å; F167-F171 HydrophobicContact CE1-CE2 3.95Å; F167-F171 AromaticContact CE2-CD2 3.83Å; F167-F171 HydrophobicContact CE2-CD2 3.83Å; F167-F171 AromaticContact CE2-CE2 3.35Å; F167-F171 HydrophobicContact CE2-CE2 3.35Å; F167-F171 HydrophobicContact CE2-CZ 4.39Å; F167-F171 HydrophobicContact CG-CD2 4.22Å; F167-F171 HydrophobicContact CG-CE2 4.5Å; F167-F171 AromaticContact CZ-CD2 3.55Å; F167-F171 HydrophobicContact CZ-CD2 3.55Å; F167-F171 AromaticContact CZ-CE2 3.33Å; F167-F171 HydrophobicContact CZ-CE2 3.33Å; F167-F171 HydrophobicContact CZ-CZ 4.27Å; F167-F171 PolarHBondContact O-N 2.87Å; F167-F171 VanDerWaalsContact O-N 3.12Å; F171-T175 HydrophobicContact CB-CG2 4.4Å; F171-T175 HydrophobicContact CD1-CG2 4.24Å; F171-T175 PolarHBondContact O-OG1 2.85Å |
| 172 | G | 95.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 65.2 Ų | 65.2 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | trans | 79.2 | 155.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y168 N174 T175 | Y168-G172 WeakPolarHBondContact O-CA 3.09Å; Y168-G172 PolarHBondContact O-N 3.21Å; G172-N174 PolarHBondContact O-N 3.09Å; G172-T175 PolarHBondContact O-N 3.13Å | ||
| 173 | G | 93 | Very high | 95.9 | Very high | 15 Ų | 15 | 62.3 Ų | 62.3 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.3 | -28.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y168 K177 | Y168-G173 VanDerWaalsContact OH-CA 3.3Å; Y168-G173 WeakPolarHBondContact OH-CA 3.29Å; G173-K177 WeakPolarHBondContact O-CB 3.42Å; G173-K177 WeakPolarHBondContact O-CD 3.31Å; G173-K177 WeakPolarHBondContact O-CG 3.42Å; G173-K177 PolarHBondContact O-N 2.74Å |
| 174 | N | 95.5 | Very high | 95.6 | Very high | 118 Ų | 118 | 57.7 Ų | 57.7 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.9 | -41.6 | -179.9 | -73.3 | -15.9 | 0 | 0 | 0 | 111.7 | G172 L176 K177 A178 | G172-N174 PolarHBondContact O-N 3.09Å; N174-L176 VanDerWaalsContact C-N 3.32Å; N174-L176 PolarHBondContact O-N 2.99Å; N174-K177 PolarHBondContact O-N 3.33Å; N174-A178 VanDerWaalsContact O-CB 3.31Å; N174-A178 WeakPolarHBondContact O-CB 3.29Å; N174-A178 PolarHBondContact O-N 3.49Å |
| 175 | T | 95.5 | Very high | 95.3 | Very high | 66 Ų | 66 | 63 Ų | 63 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.1 | -48.8 | 176.9 | -50.2 | 0 | 0 | 0 | 0 | 110.7 | F171 G172 A178 D179 | F171-T175 HydrophobicContact CB-CG2 4.4Å; F171-T175 HydrophobicContact CD1-CG2 4.24Å; F171-T175 PolarHBondContact O-OG1 2.85Å; G172-T175 PolarHBondContact O-N 3.13Å; T175-A178 PolarHBondContact O-N 3.06Å; T175-D179 PolarHBondContact O-N 3.16Å |
| 176 | L | 94.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -75 | -26.4 | -177.4 | -62.4 | 175.3 | 0 | 0 | 0 | 113.5 | H152 G154 Y158 F167 Y168 N174 | H152-L176 PolarHBondContact CE1-O 2.64Å; H152-L176 VanDerWaalsContact CE1-O 3.28Å; G154-L176 CarbonylContact C-O 3.5Å; G154-L176 VanDerWaalsContact CA-O 3.28Å; G154-L176 WeakPolarHBondContact CA-O 3.31Å; Y158-L176 HydrophobicContact CD2-CD1 4.1Å; Y158-L176 HydrophobicContact CD2-CD2 4.31Å; Y158-L176 HydrophobicContact CE2-CD2 4.07Å; F167-L176 HydrophobicContact CE1-CD2 4.19Å; Y168-L176 HydrophobicContact CD2-CD1 3.31Å; Y168-L176 HydrophobicContact CE2-CD1 3.93Å; Y168-L176 HydrophobicContact CG-CD1 3.95Å; N174-L176 VanDerWaalsContact C-N 3.32Å; N174-L176 PolarHBondContact O-N 2.99Å |
| 177 | K | 94.7 | Very high | 95 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 27% | 0.274 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.8 | -25.8 | 173.8 | -71.6 | 169.4 | -169.8 | 171.2 | 0 | 113.2 | V140 G173 N174 D179 V180 | V140-K177 HydrophobicContact CG1-CB 3.83Å; V140-K177 HydrophobicContact CG1-CD 4.27Å; V140-K177 HydrophobicContact CG2-CB 4.15Å; G173-K177 WeakPolarHBondContact O-CB 3.42Å; G173-K177 WeakPolarHBondContact O-CD 3.31Å; G173-K177 WeakPolarHBondContact O-CG 3.42Å; G173-K177 PolarHBondContact O-N 2.74Å; N174-K177 PolarHBondContact O-N 3.33Å; K177-D179 VanDerWaalsContact C-N 3.31Å; K177-V180 WeakPolarHBondContact O-CG1 3.22Å |
| 178 | A | 95.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -79.6 | -15.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L136 V140 N174 T175 V180 P404 | L136-A178 HydrophobicContact CD1-CB 4.29Å; L136-A178 HydrophobicContact CD2-CB 4.21Å; L136-A178 HydrophobicContact CG-CB 4.32Å; V140-A178 HydrophobicContact CG2-CB 4.08Å; N174-A178 VanDerWaalsContact O-CB 3.31Å; N174-A178 WeakPolarHBondContact O-CB 3.29Å; N174-A178 PolarHBondContact O-N 3.49Å; T175-A178 PolarHBondContact O-N 3.06Å; A178-V180 PolarHBondContact O-N 3.41Å; A178-V180 VanDerWaalsContact O-N 3.11Å; A178-P404 HydrophobicContact CB-CG 4.28Å |
| 179 | D | 95.8 | Very high | 94.9 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | trans | -78.2 | 91.2 | 171.8 | -168.2 | 21.5 | 0 | 0 | 0 | 110.2 | P150 H152 T175 K177 | P150-D179 WeakPolarHBondContact CD-O 3.33Å; H152-D179 IonicContact CE1-OD2 2.77Å; H152-D179 IonicContact NE2-OD2 3.53Å; H152-D179 PolarHBondContact NE2-OD2 3.31Å; T175-D179 PolarHBondContact O-N 3.16Å; K177-D179 VanDerWaalsContact C-N 3.31Å | ||
| 180 | V | 94.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | trans | -128.6 | 173.5 | -176.4 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | L136 Y139 K177 A178 V184 L187 Y403 | L136-V180 HydrophobicContact CD1-CG2 4.2Å; Y139-V180 HydrophobicContact CD1-CG1 4.21Å; Y139-V180 HydrophobicContact CE1-CG1 3.46Å; Y139-V180 VanDerWaalsContact CE1-CG1 3.46Å; K177-V180 WeakPolarHBondContact O-CG1 3.22Å; A178-V180 PolarHBondContact O-N 3.41Å; A178-V180 VanDerWaalsContact O-N 3.11Å; V180-V184 HydrophobicContact CB-CG2 3.88Å; V180-V184 HydrophobicContact CG1-CG2 4.24Å; V180-V184 HydrophobicContact CG2-CG2 4.17Å; V180-L187 HydrophobicContact CG2-CD1 3.76Å; V180-Y403 HydrophobicContact CG2-CD2 3.31Å; V180-Y403 HydrophobicContact CG2-CE2 3.71Å; V180-Y403 HydrophobicContact CG2-CG 4.15Å | ||
| 181 | S | 94.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | trans | -120.3 | 177.8 | 178.3 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | T149 S183 V184 | T149-S181 PolarHBondContact O-OG 2.67Å; T149-S181 PolarHBondContact OG1-OG 2.94Å; S181-S183 PolarHBondContact O-N 2.89Å; S181-S183 WeakPolarHBondContact OG-CB 3.46Å; S181-S183 PolarHBondContact OG-N 2.97Å; S181-S183 PolarHBondContact OG-OG 2.94Å; S181-V184 PolarHBondContact O-N 3.17Å | ||
| 182 | I | 94.1 | Very high | 94.9 | Very high | 88 Ų | 88 | 42.2 Ų | 42.2 | 45% | 0.451 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -11.5 | 170.2 | 62.5 | 169 | 0 | 0 | 0 | 114.2 | V184 Y403 | I182-V184 PolarHBondContact O-N 3.44Å; I182-Y403 PolarHBondContact N-OH 3.15Å |
| 183 | S | 91.1 | Very high | 95 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 38% | 0.378 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.5 | 171 | -52.5 | 0 | 0 | 0 | 0 | 112.6 | S181 T185 | S181-S183 PolarHBondContact O-N 2.89Å; S181-S183 WeakPolarHBondContact OG-CB 3.46Å; S181-S183 PolarHBondContact OG-N 2.97Å; S181-S183 PolarHBondContact OG-OG 2.94Å; S183-T185 PolarHBondContact O-N 2.84Å |
| 184 | V | 91.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -86.2 | 83.2 | 170.9 | -176 | 0 | 0 | 0 | 0 | 108.2 | Y139 V180 S181 I182 E186 L187 | Y139-V184 HydrophobicContact CD2-CG1 3.38Å; Y139-V184 HydrophobicContact CD2-CG2 4.35Å; Y139-V184 HydrophobicContact CE1-CG2 4.26Å; Y139-V184 HydrophobicContact CE2-CB 4.22Å; Y139-V184 HydrophobicContact CE2-CG1 3.47Å; Y139-V184 VanDerWaalsContact CE2-CG1 3.47Å; Y139-V184 HydrophobicContact CE2-CG2 3.63Å; Y139-V184 HydrophobicContact CG-CG1 3.96Å; V180-V184 HydrophobicContact CB-CG2 3.88Å; V180-V184 HydrophobicContact CG1-CG2 4.24Å; V180-V184 HydrophobicContact CG2-CG2 4.17Å; S181-V184 PolarHBondContact O-N 3.17Å; I182-V184 PolarHBondContact O-N 3.44Å; V184-E186 HydrophobicContact CG1-CG 3.78Å; V184-E186 WeakPolarHBondContact CG1-OE2 3.49Å; V184-E186 PolarHBondContact O-N 2.64Å; V184-E186 VanDerWaalsContact O-N 3.13Å; V184-L187 HydrophobicContact CB-CD1 4.13Å; V184-L187 HydrophobicContact CB-CG 4.49Å; V184-L187 HydrophobicContact CG1-CB 4.48Å; V184-L187 HydrophobicContact CG1-CD1 3.71Å; V184-L187 HydrophobicContact CG1-CG 3.82Å; V184-L187 PolarHBondContact O-N 2.82Å |
| 185 | T | 91.7 | Very high | 95.4 | Very high | 117 Ų | 117 | 40 Ų | 40 | 72% | 0.718 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -59.7 | -27.4 | -170.7 | 51.7 | 0 | 0 | 0 | 0 | 114 | S183 L187 G188 | S183-T185 PolarHBondContact O-N 2.84Å; T185-L187 PolarHBondContact O-N 3.31Å; T185-G188 PolarHBondContact O-N 2.79Å; T185-G188 VanDerWaalsContact O-N 3.16Å |
| 186 | E | 93.7 | Very high | 95.5 | Very high | 80 Ų | 80 | 37.8 Ų | 37.8 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -67.9 | -15 | 178.7 | 61.7 | -94.6 | -128.9 | 0 | 0 | 113.9 | Y139 K144 V184 P196 | Y139-E186 WeakPolarHBondContact CD2-OE1 3.38Å; K144-E186 IonicContact NZ-OE1 3.14Å; K144-E186 PolarHBondContact NZ-OE1 3.41Å; V184-E186 HydrophobicContact CG1-CG 3.78Å; V184-E186 WeakPolarHBondContact CG1-OE2 3.49Å; V184-E186 PolarHBondContact O-N 2.64Å; V184-E186 VanDerWaalsContact O-N 3.13Å; E186-P196 WeakPolarHBondContact O-CG 3.43Å |
| 187 | L | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -90.9 | -5.3 | 175.3 | -65.1 | 174.9 | 0 | 0 | 0 | 113.1 | F132 A135 L136 V180 V184 T185 H197 Y403 | F132-L187 HydrophobicContact CE2-CB 4.39Å; F132-L187 HydrophobicContact CE2-CD2 4.48Å; A135-L187 HydrophobicContact CB-CD2 3.54Å; L136-L187 HydrophobicContact CB-CD2 4.36Å; L136-L187 HydrophobicContact CD1-CD1 3.93Å; V180-L187 HydrophobicContact CG2-CD1 3.76Å; V184-L187 HydrophobicContact CB-CD1 4.13Å; V184-L187 HydrophobicContact CB-CG 4.49Å; V184-L187 HydrophobicContact CG1-CB 4.48Å; V184-L187 HydrophobicContact CG1-CD1 3.71Å; V184-L187 HydrophobicContact CG1-CG 3.82Å; V184-L187 PolarHBondContact O-N 2.82Å; T185-L187 PolarHBondContact O-N 3.31Å; L187-H197 PolarHBondContact O-CE1 3.37Å; L187-H197 PolarHBondContact O-ND1 3.39Å; L187-Y403 HydrophobicContact CB-CE2 3.98Å; L187-Y403 HydrophobicContact CD1-CD2 3.75Å; L187-Y403 HydrophobicContact CD1-CE2 3.64Å; L187-Y403 HydrophobicContact CG-CE2 4.45Å |
| 188 | G | 96.8 | Very high | 95.9 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | trans | 65.3 | -151.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T185 T194 | T185-G188 PolarHBondContact O-N 2.79Å; T185-G188 VanDerWaalsContact O-N 3.16Å; G188-T194 WeakPolarHBondContact CA-O 3.45Å | ||
| 189 | S | 97.9 | Very high | 96 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -141.1 | 132 | -175.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | D192 H193 T194 | S189-D192 WeakPolarHBondContact CB-OD2 3.44Å; S189-D192 PolarHBondContact OG-N 3.08Å; S189-D192 PolarHBondContact OG-OD2 3.27Å; S189-H193 PolarHBondContact O-N 3.31Å; S189-H193 VanDerWaalsContact O-N 3.14Å; S189-T194 PolarHBondContact N-O 3.21Å; S189-T194 PolarHBondContact N-OG1 3.47Å; S189-T194 PolarHBondContact O-N 3.3Å |
| 190 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -38.3 | 175.6 | 179.9 | 63.6 | 0 | 0 | 0 | 112 | H193 I215 T217 F393 T397 P401 V406 | L190-H193 PolarHBondContact O-CE1 2.85Å; L190-I215 HydrophobicContact CD1-CB 3.97Å; L190-I215 HydrophobicContact CD1-CG2 4.48Å; L190-T217 HydrophobicContact CD2-CG2 4.01Å; L190-F393 HydrophobicContact CG-CZ 4.29Å; L190-T397 HydrophobicContact CD2-CG2 4.3Å; L190-P401 HydrophobicContact CB-CG 4.05Å; L190-P401 HydrophobicContact CD2-CB 3.62Å; L190-P401 HydrophobicContact CD2-CG 3.72Å; L190-V406 HydrophobicContact CD2-CG2 4.09Å |
| 191 | L | 97.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -29.7 | -176.7 | -84.6 | 68.1 | 0 | 0 | 0 | 112.1 | N390 M394 T397 T398 T399 | L191-N390 PolarHBondContact O-ND2 3.14Å; L191-M394 HydrophobicContact CB-CG 4.32Å; L191-M394 HydrophobicContact CB-SD 4.41Å; L191-M394 HydrophobicContact CD2-CG 4.3Å; L191-M394 HydrophobicContact CG-CG 4.2Å; L191-T397 HydrophobicContact CD1-CG2 3.87Å; L191-T398 WeakPolarHBondContact CD1-O 3.37Å; L191-T399 HydrophobicContact CD2-CG2 4.11Å |
| 192 | D | 97.1 | Very high | 96.6 | Very high | 106 Ų | 106 | 41.7 Ų | 41.7 | 57% | 0.567 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.6 | 179 | -51.1 | -56.3 | 0 | 0 | 0 | 112.3 | S189 T194 | S189-D192 WeakPolarHBondContact CB-OD2 3.44Å; S189-D192 PolarHBondContact OG-N 3.08Å; S189-D192 PolarHBondContact OG-OD2 3.27Å; D192-T194 HydrophobicContact CB-CG2 4.06Å; D192-T194 WeakPolarHBondContact O-CG2 3.39Å; D192-T194 PolarHBondContact O-N 2.9Å |
| 193 | H | 97.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 55.2 | -174.9 | -54 | -73.8 | 0 | 0 | 0 | 112.2 | S189 L190 L198 E201 Y214 N390 F393 | S189-H193 PolarHBondContact O-N 3.31Å; S189-H193 VanDerWaalsContact O-N 3.14Å; L190-H193 PolarHBondContact O-CE1 2.85Å; H193-L198 HydrophobicContact CB-CD1 4.49Å; H193-L198 WeakPolarHBondContact O-CB 3.43Å; H193-E201 IonicContact CE1-OE1 2.85Å; H193-E201 PolarHBondContact CE1-OE1 3.44Å; H193-E201 IonicContact CE1-OE2 3.39Å; H193-E201 IonicContact CG-OE2 3.78Å; H193-E201 VanDerWaalsContact ND1-CD 3.28Å; H193-E201 IonicContact ND1-OE1 2.81Å; H193-E201 PolarHBondContact ND1-OE1 3.19Å; H193-E201 IonicContact ND1-OE2 3.82Å; H193-E201 PolarHBondContact ND1-OE2 3.31Å; H193-Y214 AromaticContact CE1-CD1 3.39Å; H193-Y214 WeakPolarHBondContact CE1-CD1 3.45Å; H193-Y214 AromaticContact CE1-CE1 3.41Å; H193-Y214 VanDerWaalsContact CE1-CE1 3.41Å; H193-Y214 WeakPolarHBondContact CE1-CE1 3.28Å; H193-Y214 AromaticContact NE2-CD1 3.85Å; H193-Y214 AromaticContact NE2-CE1 3.46Å; H193-Y214 WeakPolarHBondContact NE2-CE1 3.42Å; H193-N390 PolarHBondContact NE2-OD1 2.94Å; H193-F393 AromaticContact CE1-CE1 3.84Å; H193-F393 AromaticContact NE2-CD1 3.91Å; H193-F393 AromaticContact NE2-CE1 4Å |
| 194 | T | 98.2 | Very high | 97.1 | Very high | 61 Ų | 61 | 35.9 Ų | 35.9 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | B | Isolated β-bridge | trans | -127.2 | 154.7 | -175.1 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | G188 S189 D192 H197 | G188-T194 WeakPolarHBondContact CA-O 3.45Å; S189-T194 PolarHBondContact N-O 3.21Å; S189-T194 PolarHBondContact N-OG1 3.47Å; S189-T194 PolarHBondContact O-N 3.3Å; D192-T194 HydrophobicContact CB-CG2 4.06Å; D192-T194 WeakPolarHBondContact O-CG2 3.39Å; D192-T194 PolarHBondContact O-N 2.9Å; T194-H197 PolarHBondContact O-N 3.18Å |
| 195 | G | 97.8 | Very high | 97.5 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -142.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | H197 L198 E199 | G195-H197 PolarHBondContact O-N 3.03Å; G195-H197 VanDerWaalsContact O-N 3.09Å; G195-L198 WeakPolarHBondContact O-CB 3.34Å; G195-L198 PolarHBondContact O-N 3.19Å; G195-E199 PolarHBondContact O-N 3.37Å |
| 196 | P | 98.2 | Very high | 97.7 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.5 | -25.1 | 179.6 | -28.1 | 35.1 | 0 | 0 | 0 | 115.2 | F132 A135 E186 A200 | F132-P196 HydrophobicContact CB-CB 4.2Å; F132-P196 HydrophobicContact CD2-CB 4.09Å; A135-P196 HydrophobicContact CB-CB 4.11Å; A135-P196 HydrophobicContact CB-CG 3.89Å; E186-P196 WeakPolarHBondContact O-CG 3.43Å; P196-A200 WeakPolarHBondContact O-CB 3.28Å; P196-A200 PolarHBondContact O-N 2.74Å |
| 197 | H | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | 173.8 | -72.9 | 90.8 | 0 | 0 | 0 | 112.3 | F132 L187 T194 G195 A200 E201 Y403 | F132-H197 AromaticContact CD2-CE1 3.89Å; F132-H197 AromaticContact CD2-ND1 3.89Å; F132-H197 AromaticContact CE2-CD2 3.86Å; F132-H197 AromaticContact CE2-CE1 3.2Å; F132-H197 WeakPolarHBondContact CE2-CE1 3.28Å; F132-H197 AromaticContact CE2-ND1 3.67Å; F132-H197 AromaticContact CE2-NE2 3.32Å; F132-H197 VanDerWaalsContact CE2-NE2 3.32Å; F132-H197 WeakPolarHBondContact CE2-NE2 3.29Å; F132-H197 AromaticContact CZ-CE1 3.99Å; F132-H197 AromaticContact CZ-NE2 3.74Å; L187-H197 PolarHBondContact O-CE1 3.37Å; L187-H197 PolarHBondContact O-ND1 3.39Å; T194-H197 PolarHBondContact O-N 3.18Å; G195-H197 PolarHBondContact O-N 3.03Å; G195-H197 VanDerWaalsContact O-N 3.09Å; H197-A200 WeakPolarHBondContact O-CB 3.06Å; H197-A200 PolarHBondContact O-N 2.71Å; H197-E201 WeakPolarHBondContact O-CG 3.45Å; H197-E201 PolarHBondContact O-N 3.32Å; H197-Y403 AromaticContact CE1-CE1 3.98Å; H197-Y403 AromaticContact CE1-CZ 3.62Å; H197-Y403 AromaticContact NE2-CE1 3.84Å; H197-Y403 AromaticContact NE2-CZ 3.97Å |
| 198 | L | 98.4 | Very high | 98 | Very high | 61 Ų | 61 | 34.1 Ų | 34.1 | 32% | 0.319 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62 | -45.9 | 175.4 | -179 | 58.9 | 0 | 0 | 0 | 110.8 | H193 G195 A200 E201 E202 | H193-L198 HydrophobicContact CB-CD1 4.49Å; H193-L198 WeakPolarHBondContact O-CB 3.43Å; G195-L198 WeakPolarHBondContact O-CB 3.34Å; G195-L198 PolarHBondContact O-N 3.19Å; L198-A200 PolarHBondContact O-N 2.82Å; L198-E201 PolarHBondContact O-N 2.89Å; L198-E202 HydrophobicContact CD1-CG 4.5Å; L198-E202 WeakPolarHBondContact O-CG 3.49Å; L198-E202 PolarHBondContact O-N 3.4Å |
| 199 | E | 98.5 | Very high | 98 | Very high | 98 Ų | 98 | 34.4 Ų | 34.4 | 46% | 0.458 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.5 | -36.9 | 177.8 | -65.3 | 177.8 | -154.6 | 0 | 0 | 111.8 | P131 G195 Y203 | P131-E199 HydrophobicContact CB-CB 3.79Å; P131-E199 WeakPolarHBondContact CB-OE2 3.47Å; P131-E199 HydrophobicContact CG-CB 4.09Å; G195-E199 PolarHBondContact O-N 3.37Å; E199-Y203 WeakPolarHBondContact O-CB 3.32Å; E199-Y203 PolarHBondContact O-N 3.49Å |
| 200 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F132 P196 H197 L198 Y203 I204 I215 E410 | F132-A200 HydrophobicContact CB-CB 3.8Å; P196-A200 WeakPolarHBondContact O-CB 3.28Å; P196-A200 PolarHBondContact O-N 2.74Å; H197-A200 WeakPolarHBondContact O-CB 3.06Å; H197-A200 PolarHBondContact O-N 2.71Å; L198-A200 PolarHBondContact O-N 2.82Å; A200-Y203 WeakPolarHBondContact O-CB 3.46Å; A200-Y203 PolarHBondContact O-N 3.13Å; A200-I204 WeakPolarHBondContact O-CB 3.36Å; A200-I204 VanDerWaalsContact O-CD1 3.28Å; A200-I204 WeakPolarHBondContact O-CD1 3.38Å; A200-I204 WeakPolarHBondContact O-CG1 3.33Å; A200-I204 PolarHBondContact O-N 3.33Å; A200-I215 HydrophobicContact CB-CD1 4.14Å; A200-E410 WeakPolarHBondContact CA-OE1 3.43Å; A200-E410 HydrophobicContact CB-CB 4.37Å; A200-E410 HydrophobicContact CB-CG 3.84Å; A200-E410 VanDerWaalsContact CB-OE1 3.23Å; A200-E410 WeakPolarHBondContact CB-OE1 3.4Å |
| 201 | E | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.6 | -77 | 176.2 | 157.1 | 0 | 0 | 111.9 | H193 H197 L198 I204 A205 S213 I215 | H193-E201 IonicContact CE1-OE1 2.85Å; H193-E201 PolarHBondContact CE1-OE1 3.44Å; H193-E201 IonicContact CE1-OE2 3.39Å; H193-E201 IonicContact CG-OE2 3.78Å; H193-E201 VanDerWaalsContact ND1-CD 3.28Å; H193-E201 IonicContact ND1-OE1 2.81Å; H193-E201 PolarHBondContact ND1-OE1 3.19Å; H193-E201 IonicContact ND1-OE2 3.82Å; H193-E201 PolarHBondContact ND1-OE2 3.31Å; H197-E201 WeakPolarHBondContact O-CG 3.45Å; H197-E201 PolarHBondContact O-N 3.32Å; L198-E201 PolarHBondContact O-N 2.89Å; E201-I204 PolarHBondContact O-N 2.87Å; E201-A205 WeakPolarHBondContact O-CB 3.32Å; E201-A205 PolarHBondContact O-N 3.09Å; E201-S213 VanDerWaalsContact CB-O 3.31Å; E201-S213 WeakPolarHBondContact CB-O 3.34Å; E201-S213 WeakPolarHBondContact CG-O 3.4Å; E201-I215 HydrophobicContact CG-CD1 4.08Å; E201-I215 HydrophobicContact CG-CG1 4.03Å |
| 202 | E | 98.5 | Very high | 98 | Very high | 81 Ų | 81 | 38.7 Ų | 38.7 | 38% | 0.379 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 173.8 | -68.3 | -176.4 | 177.2 | 0 | 0 | 112.6 | L198 I204 A205 R206 | L198-E202 HydrophobicContact CD1-CG 4.5Å; L198-E202 WeakPolarHBondContact O-CG 3.49Å; L198-E202 PolarHBondContact O-N 3.4Å; E202-I204 VanDerWaalsContact C-N 3.3Å; E202-I204 PolarHBondContact O-N 2.95Å; E202-A205 PolarHBondContact O-N 3.16Å; E202-R206 WeakPolarHBondContact O-CG 3.32Å; E202-R206 PolarHBondContact O-N 2.74Å; E202-R206 PolarHBondContact O-NE 3.4Å; E202-R206 IonicContact OE2-NH1 3.65Å; E202-R206 PolarHBondContact OE2-NH1 2.98Å; E202-R206 VanDerWaalsContact OE2-NH1 3.14Å |
| 203 | Y | 98.5 | Very high | 98.1 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 175.8 | -179.1 | -74.2 | 0 | 0 | 0 | 110.6 | P130 E199 A200 T207 A413 A414 R417 | P130-Y203 HydrophobicContact CB-CD2 4.44Å; P130-Y203 HydrophobicContact CB-CE1 4.33Å; P130-Y203 HydrophobicContact CB-CE2 4.11Å; E199-Y203 WeakPolarHBondContact O-CB 3.32Å; E199-Y203 PolarHBondContact O-N 3.49Å; A200-Y203 WeakPolarHBondContact O-CB 3.46Å; A200-Y203 PolarHBondContact O-N 3.13Å; Y203-T207 WeakPolarHBondContact O-CB 3.36Å; Y203-T207 PolarHBondContact O-N 3.37Å; Y203-T207 VanDerWaalsContact O-N 3.09Å; Y203-T207 PolarHBondContact O-OG1 2.8Å; Y203-A413 HydrophobicContact CD1-CB 4.22Å; Y203-A413 HydrophobicContact CE1-CB 4.1Å; Y203-A414 HydrophobicContact CE1-CB 4.17Å; Y203-A414 VanDerWaalsContact OH-CA 3.31Å; Y203-A414 WeakPolarHBondContact OH-CA 3.42Å; Y203-A414 WeakPolarHBondContact OH-CB 3.25Å; Y203-R417 VanDerWaalsContact OH-CD 3.22Å; Y203-R417 WeakPolarHBondContact OH-CD 3.46Å |
| 204 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -48.1 | 178 | -68.1 | 158 | 0 | 0 | 0 | 110 | A200 E201 E202 R206 T207 F208 I215 L377 V409 E410 A413 | A200-I204 WeakPolarHBondContact O-CB 3.36Å; A200-I204 VanDerWaalsContact O-CD1 3.28Å; A200-I204 WeakPolarHBondContact O-CD1 3.38Å; A200-I204 WeakPolarHBondContact O-CG1 3.33Å; A200-I204 PolarHBondContact O-N 3.33Å; E201-I204 PolarHBondContact O-N 2.87Å; E202-I204 VanDerWaalsContact C-N 3.3Å; E202-I204 PolarHBondContact O-N 2.95Å; I204-R206 VanDerWaalsContact C-N 3.34Å; I204-R206 PolarHBondContact O-N 2.95Å; I204-T207 WeakPolarHBondContact O-CB 3.44Å; I204-T207 PolarHBondContact O-N 2.89Å; I204-F208 HydrophobicContact CG2-CD2 3.9Å; I204-F208 HydrophobicContact CG2-CE2 4.25Å; I204-F208 WeakPolarHBondContact O-CD2 3.49Å; I204-F208 PolarHBondContact O-N 2.93Å; I204-I215 HydrophobicContact CD1-CD1 3.63Å; I204-I215 HydrophobicContact CD1-CG1 3.68Å; I204-L377 HydrophobicContact CD1-CD2 4.16Å; I204-L377 HydrophobicContact CG2-CD1 3.84Å; I204-L377 HydrophobicContact CG2-CD2 3.75Å; I204-L377 HydrophobicContact CG2-CG 4.41Å; I204-V409 HydrophobicContact CD1-CG1 4.03Å; I204-E410 HydrophobicContact CD1-CB 4.45Å; I204-A413 HydrophobicContact CB-CB 4.5Å; I204-A413 HydrophobicContact CG1-CB 3.78Å |
| 205 | A | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.3 | -48.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E201 E202 T207 F208 G209 A210 S213 | E201-A205 WeakPolarHBondContact O-CB 3.32Å; E201-A205 PolarHBondContact O-N 3.09Å; E202-A205 PolarHBondContact O-N 3.16Å; A205-T207 VanDerWaalsContact C-N 3.28Å; A205-T207 PolarHBondContact O-N 3.24Å; A205-F208 PolarHBondContact O-N 2.85Å; A205-G209 PolarHBondContact O-N 2.73Å; A205-G209 VanDerWaalsContact O-N 3.08Å; A205-A210 CarbonylContact C-O 3.52Å; A205-A210 HydrophobicContact CB-CB 4.44Å; A205-A210 PolarHBondContact O-N 3.43Å; A205-S213 VanDerWaalsContact CA-OG 3.3Å; A205-S213 WeakPolarHBondContact CA-OG 3.43Å |
| 206 | R | 97.3 | Very high | 98.2 | Very high | 150 Ų | 150 | 28.3 Ų | 28.3 | 57% | 0.566 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -60.4 | -36.2 | 175.2 | -71.4 | -175.9 | -65.8 | -103.3 | -0.9 | 113 | E202 I204 | E202-R206 WeakPolarHBondContact O-CG 3.32Å; E202-R206 PolarHBondContact O-N 2.74Å; E202-R206 PolarHBondContact O-NE 3.4Å; E202-R206 IonicContact OE2-NH1 3.65Å; E202-R206 PolarHBondContact OE2-NH1 2.98Å; E202-R206 VanDerWaalsContact OE2-NH1 3.14Å; I204-R206 VanDerWaalsContact C-N 3.34Å; I204-R206 PolarHBondContact O-N 2.95Å |
| 207 | T | 97 | Very high | 98.2 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 7% | 0.074 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -74.3 | -35.1 | -178.1 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | Y203 I204 A205 H338 F339 A413 R417 | Y203-T207 WeakPolarHBondContact O-CB 3.36Å; Y203-T207 PolarHBondContact O-N 3.37Å; Y203-T207 VanDerWaalsContact O-N 3.09Å; Y203-T207 PolarHBondContact O-OG1 2.8Å; I204-T207 WeakPolarHBondContact O-CB 3.44Å; I204-T207 PolarHBondContact O-N 2.89Å; A205-T207 VanDerWaalsContact C-N 3.28Å; A205-T207 PolarHBondContact O-N 3.24Å; T207-H338 PolarHBondContact O-CD2 3.14Å; T207-F339 HydrophobicContact CG2-CE1 3.79Å; T207-F339 HydrophobicContact CG2-CZ 4.14Å; T207-F339 VanDerWaalsContact O-CE1 3.26Å; T207-F339 WeakPolarHBondContact O-CE1 3.44Å; T207-A413 HydrophobicContact CG2-CB 4.27Å; T207-A413 WeakPolarHBondContact CG2-O 3.45Å; T207-R417 HydrophobicContact CG2-CB 4.38Å |
| 208 | F | 97.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -97.5 | 1.9 | -175.7 | -77.6 | -105.2 | 0 | 0 | 0 | 113.9 | I204 A205 A210 P335 H338 F339 Q363 L369 L377 H379 A413 L416 | I204-F208 HydrophobicContact CG2-CD2 3.9Å; I204-F208 HydrophobicContact CG2-CE2 4.25Å; I204-F208 WeakPolarHBondContact O-CD2 3.49Å; I204-F208 PolarHBondContact O-N 2.93Å; A205-F208 PolarHBondContact O-N 2.85Å; F208-A210 VanDerWaalsContact C-N 3.28Å; F208-A210 PolarHBondContact O-N 3.37Å; F208-P335 WeakPolarHBondContact CE1-O 3.5Å; F208-H338 PolarHBondContact O-ND1 2.82Å; F208-F339 HydrophobicContact CD1-CE2 4.13Å; F208-F339 AromaticContact CD1-CZ 3.91Å; F208-F339 HydrophobicContact CD1-CZ 3.91Å; F208-F339 HydrophobicContact CD2-CZ 4.06Å; F208-F339 AromaticContact CE1-CE2 3.79Å; F208-F339 HydrophobicContact CE1-CE2 3.79Å; F208-F339 AromaticContact CE1-CZ 3.8Å; F208-F339 HydrophobicContact CE1-CZ 3.8Å; F208-F339 AromaticContact CE2-CZ 3.94Å; F208-F339 HydrophobicContact CE2-CZ 3.94Å; F208-F339 HydrophobicContact CG-CZ 4.04Å; F208-F339 HydrophobicContact CZ-CE2 4.06Å; F208-F339 AromaticContact CZ-CZ 3.81Å; F208-F339 HydrophobicContact CZ-CZ 3.81Å; F208-Q363 VanDerWaalsContact CE1-OE1 3.26Å; F208-L369 HydrophobicContact CE1-CD1 4.17Å; F208-L369 HydrophobicContact CZ-CD1 3.92Å; F208-L377 HydrophobicContact CE1-CD1 4.34Å; F208-L377 HydrophobicContact CE2-CD1 4.25Å; F208-L377 HydrophobicContact CZ-CD1 4.07Å; F208-H379 AromaticContact CD1-CE1 3.77Å; F208-H379 AromaticContact CD1-NE2 3.44Å; F208-H379 WeakPolarHBondContact CD1-NE2 3.41Å; F208-H379 AromaticContact CG-CE1 3.58Å; F208-H379 AromaticContact CG-NE2 3.75Å; F208-A413 HydrophobicContact CD2-CB 4.45Å; F208-A413 HydrophobicContact CE2-CB 3.73Å; F208-L416 HydrophobicContact CZ-CD1 4.04Å |
| 209 | G | 96 | Very high | 98.2 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 24.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | A205 K381 | A205-G209 PolarHBondContact O-N 2.73Å; A205-G209 VanDerWaalsContact O-N 3.08Å; G209-K381 WeakPolarHBondContact O-CE 3.17Å; G209-K381 PolarHBondContact O-NZ 2.97Å |
| 210 | A | 98 | Very high | 98.2 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 11% | 0.107 | 12% | 0.124 | C | C | . | . | trans | -92.4 | 158.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A205 F208 Q212 M349 H379 | A205-A210 CarbonylContact C-O 3.52Å; A205-A210 HydrophobicContact CB-CB 4.44Å; A205-A210 PolarHBondContact O-N 3.43Å; F208-A210 VanDerWaalsContact C-N 3.28Å; F208-A210 PolarHBondContact O-N 3.37Å; A210-Q212 WeakPolarHBondContact CB-O 3.23Å; A210-M349 HydrophobicContact CB-SD 3.83Å; A210-H379 HydrophobicContact CB-CB 3.74Å | ||
| 211 | E | 97.8 | Very high | 98.2 | Very high | 81 Ų | 81 | 27 Ų | 27 | 38% | 0.379 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -83.6 | -34.3 | 171.9 | -64.2 | 178.3 | 173.7 | 0 | 0 | 111 | R353 I380 K381 G382 | E211-R353 IonicContact OE1-CZ 3.59Å; E211-R353 IonicContact OE1-NE 3.99Å; E211-R353 PolarHBondContact OE1-NE 2.93Å; E211-R353 IonicContact OE1-NH2 2.73Å; E211-R353 PolarHBondContact OE1-NH2 3.47Å; E211-R353 IonicContact OE2-CZ 3.48Å; E211-R353 VanDerWaalsContact OE2-CZ 3.31Å; E211-R353 IonicContact OE2-NE 2.8Å; E211-R353 PolarHBondContact OE2-NE 2.82Å; E211-R353 IonicContact OE2-NH2 3.31Å; E211-R353 PolarHBondContact OE2-NH2 3.29Å; E211-I380 PolarHBondContact N-O 2.99Å; E211-K381 HydrophobicContact CG-CG 4.28Å; E211-G382 PolarHBondContact OE2-N 2.9Å |
| 212 | Q | 98 | Very high | 98.2 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.1 | 169.7 | -177.8 | 62.3 | -32.1 | 0 | 0 | 111.3 | A210 Y214 I380 Y384 | A210-Q212 WeakPolarHBondContact CB-O 3.23Å; Q212-Y214 HydrophobicContact CG-CD2 4.17Å; Q212-Y214 HydrophobicContact CG-CE2 3.62Å; Q212-I380 HydrophobicContact CB-CB 4.44Å; Q212-I380 PolarHBondContact N-O 2.97Å; Q212-I380 PolarHBondContact O-N 3.23Å; Q212-Y384 HydrophobicContact CB-CE1 4.43Å; Q212-Y384 WeakPolarHBondContact CG-OH 3.23Å |
| 213 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 139.6 | 174.1 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | E201 A205 I378 H379 | E201-S213 VanDerWaalsContact CB-O 3.31Å; E201-S213 WeakPolarHBondContact CB-O 3.34Å; E201-S213 WeakPolarHBondContact CG-O 3.4Å; A205-S213 VanDerWaalsContact CA-OG 3.3Å; A205-S213 WeakPolarHBondContact CA-OG 3.43Å; S213-I378 CarbonylContact C-O 3.57Å; S213-I378 WeakPolarHBondContact CA-O 3.33Å; S213-H379 PolarHBondContact OG-ND1 3.42Å |
| 214 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136 | 175.5 | -70.9 | -107.3 | 0 | 0 | 0 | 110.3 | H193 Q212 L377 I378 I380 Y384 F389 F393 | H193-Y214 AromaticContact CE1-CD1 3.39Å; H193-Y214 WeakPolarHBondContact CE1-CD1 3.45Å; H193-Y214 AromaticContact CE1-CE1 3.41Å; H193-Y214 VanDerWaalsContact CE1-CE1 3.41Å; H193-Y214 WeakPolarHBondContact CE1-CE1 3.28Å; H193-Y214 AromaticContact NE2-CD1 3.85Å; H193-Y214 AromaticContact NE2-CE1 3.46Å; H193-Y214 WeakPolarHBondContact NE2-CE1 3.42Å; Q212-Y214 HydrophobicContact CG-CD2 4.17Å; Q212-Y214 HydrophobicContact CG-CE2 3.62Å; Y214-L377 WeakPolarHBondContact O-CA 3.4Å; Y214-I378 PolarHBondContact N-O 2.92Å; Y214-I378 PolarHBondContact O-N 2.86Å; Y214-I378 VanDerWaalsContact O-N 3.07Å; Y214-I380 HydrophobicContact CD2-CD1 4.01Å; Y214-I380 HydrophobicContact CE2-CD1 3.68Å; Y214-Y384 HydrophobicContact CE2-CE2 4.49Å; Y214-Y384 PolarHBondContact OH-OH 3.11Å; Y214-Y384 VanDerWaalsContact OH-OH 3.05Å; Y214-F389 HydrophobicContact CD1-CD1 4.36Å; Y214-F389 AromaticContact CD1-CE1 3.99Å; Y214-F389 HydrophobicContact CD1-CE1 3.99Å; Y214-F389 HydrophobicContact CD2-CD1 4.22Å; Y214-F389 AromaticContact CD2-CE1 3.6Å; Y214-F389 HydrophobicContact CD2-CE1 3.6Å; Y214-F389 HydrophobicContact CD2-CZ 4.43Å; Y214-F389 AromaticContact CE1-CD1 3.86Å; Y214-F389 HydrophobicContact CE1-CD1 3.86Å; Y214-F389 AromaticContact CE1-CE1 3.95Å; Y214-F389 HydrophobicContact CE1-CE1 3.95Å; Y214-F389 AromaticContact CE2-CD1 3.69Å; Y214-F389 HydrophobicContact CE2-CD1 3.69Å; Y214-F389 AromaticContact CE2-CE1 3.54Å; Y214-F389 HydrophobicContact CE2-CE1 3.54Å; Y214-F389 AromaticContact CG-CE1 3.85Å; Y214-F389 HydrophobicContact CG-CE1 3.85Å; Y214-F389 AromaticContact CZ-CD1 3.5Å; Y214-F389 AromaticContact CZ-CE1 3.75Å; Y214-F393 HydrophobicContact CD1-CD1 4.47Å; Y214-F393 AromaticContact CD1-CD2 3.88Å; Y214-F393 HydrophobicContact CD1-CD2 3.88Å; Y214-F393 HydrophobicContact CD1-CE2 4.18Å; Y214-F393 HydrophobicContact CD1-CG 4.05Å; Y214-F393 HydrophobicContact CG-CD2 4.46Å |
| 215 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118.7 | 176.3 | -59.5 | 170.1 | 0 | 0 | 0 | 109.8 | L190 A200 E201 I204 L377 F393 V406 V409 | L190-I215 HydrophobicContact CD1-CB 3.97Å; L190-I215 HydrophobicContact CD1-CG2 4.48Å; A200-I215 HydrophobicContact CB-CD1 4.14Å; E201-I215 HydrophobicContact CG-CD1 4.08Å; E201-I215 HydrophobicContact CG-CG1 4.03Å; I204-I215 HydrophobicContact CD1-CD1 3.63Å; I204-I215 HydrophobicContact CD1-CG1 3.68Å; I215-L377 HydrophobicContact CG1-CD2 4.24Å; I215-F393 WeakPolarHBondContact O-CE2 3.44Å; I215-F393 WeakPolarHBondContact O-CZ 3.39Å; I215-V406 HydrophobicContact CD1-CG1 4.03Å; I215-V406 HydrophobicContact CG2-CG1 4.3Å; I215-V406 HydrophobicContact CG2-CG2 4.41Å; I215-V409 HydrophobicContact CG1-CG1 4.22Å; I215-V409 HydrophobicContact CG2-CB 4.16Å; I215-V409 HydrophobicContact CG2-CG1 4.15Å; I215-V409 HydrophobicContact CG2-CG2 4.08Å |
| 216 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.3 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | T222 S223 I226 S376 I378 F393 | V216-T222 HydrophobicContact CG1-CG2 4.2Å; V216-S223 WeakPolarHBondContact CB-OG 3.26Å; V216-I226 HydrophobicContact CG1-CD1 4.44Å; V216-I226 HydrophobicContact CG2-CD1 4.01Å; V216-S376 PolarHBondContact N-O 3.38Å; V216-S376 PolarHBondContact O-N 3.47Å; V216-I378 HydrophobicContact CG2-CD1 3.82Å; V216-I378 HydrophobicContact CG2-CG1 4Å; V216-F393 HydrophobicContact CG2-CD2 4.47Å; V216-F393 HydrophobicContact CG2-CE2 4.03Å |
| 217 | T | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -100.8 | 18.3 | -176.1 | 68.1 | 0 | 0 | 0 | 0 | 114.1 | L190 Q374 P401 I405 V406 | L190-T217 HydrophobicContact CD2-CG2 4.01Å; T217-Q374 CarbonylContact C-O 3.6Å; T217-Q374 WeakPolarHBondContact O-CB 3.49Å; T217-P401 HydrophobicContact CG2-CB 4.09Å; T217-I405 HydrophobicContact CG2-CG2 4.25Å; T217-V406 HydrophobicContact CG2-CG2 3.73Å |
| 218 | N | 98.6 | Very high | 98.3 | Very high | 82 Ų | 82 | 15.8 Ų | 15.8 | 44% | 0.439 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -136.3 | 32.3 | 179.2 | -162.2 | 25.3 | 0 | 0 | 0 | 112.8 | T222 Q374 | N218-T222 HydrophobicContact CB-CG2 4.26Å; N218-T222 WeakPolarHBondContact CB-OG1 3.37Å; N218-T222 PolarHBondContact ND2-OG1 3.15Å; N218-T222 VanDerWaalsContact ND2-OG1 3.16Å; N218-T222 WeakPolarHBondContact O-CB 3.42Å; N218-T222 PolarHBondContact O-OG1 2.85Å; N218-Q374 PolarHBondContact N-O 3.43Å |
| 219 | G | 98.1 | Very high | 98.4 | Very high | 7 Ų | 7 | 17.9 Ų | 17.9 | 7% | 0.072 | 10% | 0.103 | C | C | . | . | trans | 70.5 | 169.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S221 T222 S223 Q374 S376 | G219-S221 PolarHBondContact O-N 3.18Å; G219-S221 VanDerWaalsContact O-N 3.09Å; G219-T222 WeakPolarHBondContact O-CB 3.4Å; G219-T222 PolarHBondContact O-N 3.35Å; G219-S223 PolarHBondContact O-N 2.97Å; G219-S223 PolarHBondContact O-OG 2.88Å; G219-Q374 VanDerWaalsContact CA-O 3.29Å; G219-Q374 WeakPolarHBondContact CA-O 3.22Å; G219-Q374 PolarHBondContact N-O 3.24Å; G219-S376 VanDerWaalsContact C-CB 3.43Å | ||
| 220 | T | 98.5 | Very high | 98.5 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -20.8 | 176.8 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | T222 S223 N224 A332 T362 Q363 S364 S376 | T220-T222 PolarHBondContact O-N 2.76Å; T220-S223 PolarHBondContact O-N 3.16Å; T220-N224 VanDerWaalsContact O-CB 3.32Å; T220-N224 WeakPolarHBondContact O-CB 3.5Å; T220-N224 PolarHBondContact O-N 2.9Å; T220-N224 PolarHBondContact O-ND2 3.06Å; T220-A332 HydrophobicContact CG2-CB 4.01Å; T220-T362 WeakPolarHBondContact CG2-OG1 3.45Å; T220-Q363 PolarHBondContact OG1-O 3.4Å; T220-S364 VanDerWaalsContact CB-OG 3.26Å; T220-S364 WeakPolarHBondContact CB-OG 3.39Å; T220-S364 VanDerWaalsContact OG1-CA 3.24Å; T220-S364 WeakPolarHBondContact OG1-CA 3.34Å; T220-S364 WeakPolarHBondContact OG1-CB 3.36Å; T220-S364 PolarHBondContact OG1-N 3.13Å; T220-S364 VanDerWaalsContact OG1-N 3.08Å; T220-S364 PolarHBondContact OG1-OG 2.91Å; T220-S376 WeakPolarHBondContact CA-OG 3.38Å; T220-S376 PolarHBondContact N-OG 3.44Å; T220-S376 PolarHBondContact OG1-OG 3.11Å |
| 221 | S | 97.9 | Very high | 98.5 | Very high | 44 Ų | 44 | 19.7 Ų | 19.7 | 31% | 0.308 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -53.9 | -34.1 | 168.1 | -68.5 | 0 | 0 | 0 | 0 | 113 | G219 K225 S247 | G219-S221 PolarHBondContact O-N 3.18Å; G219-S221 VanDerWaalsContact O-N 3.09Å; S221-K225 PolarHBondContact O-NZ 3.05Å; S221-S247 WeakPolarHBondContact O-CB 3.47Å |
| 222 | T | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 16 Ų | 16 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -90.3 | -41.2 | 178.6 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | V216 N218 G219 T220 N224 K225 I226 H396 | V216-T222 HydrophobicContact CG1-CG2 4.2Å; N218-T222 HydrophobicContact CB-CG2 4.26Å; N218-T222 WeakPolarHBondContact CB-OG1 3.37Å; N218-T222 PolarHBondContact ND2-OG1 3.15Å; N218-T222 VanDerWaalsContact ND2-OG1 3.16Å; N218-T222 WeakPolarHBondContact O-CB 3.42Å; N218-T222 PolarHBondContact O-OG1 2.85Å; G219-T222 WeakPolarHBondContact O-CB 3.4Å; G219-T222 PolarHBondContact O-N 3.35Å; T220-T222 PolarHBondContact O-N 2.76Å; T222-N224 VanDerWaalsContact C-N 3.26Å; T222-N224 PolarHBondContact O-N 3.07Å; T222-K225 WeakPolarHBondContact O-CA 3.23Å; T222-K225 WeakPolarHBondContact O-CB 3.47Å; T222-K225 PolarHBondContact O-N 2.98Å; T222-I226 HydrophobicContact CG2-CD1 4.07Å; T222-I226 HydrophobicContact CG2-CG1 4.47Å; T222-I226 WeakPolarHBondContact O-CG1 3.37Å; T222-I226 PolarHBondContact O-N 3.32Å; T222-H396 HydrophobicContact CG2-CB 3.65Å |
| 223 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -52.8 | -44.2 | 174.2 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | V216 G219 T220 K225 I226 V227 S376 | V216-S223 WeakPolarHBondContact CB-OG 3.26Å; G219-S223 PolarHBondContact O-N 2.97Å; G219-S223 PolarHBondContact O-OG 2.88Å; T220-S223 PolarHBondContact O-N 3.16Å; S223-K225 VanDerWaalsContact C-N 3.26Å; S223-K225 PolarHBondContact O-N 2.93Å; S223-I226 PolarHBondContact O-N 3.46Å; S223-V227 WeakPolarHBondContact O-CG2 3.49Å; S223-V227 PolarHBondContact O-N 3.11Å; S223-S376 WeakPolarHBondContact OG-CB 3.33Å; S223-S376 PolarHBondContact OG-OG 3.27Å |
| 224 | N | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.9 | -32.9 | 175.8 | -72.1 | -11.7 | 0 | 0 | 0 | 112.8 | T220 T222 G228 S247 L248 H328 D330 T362 | T220-N224 VanDerWaalsContact O-CB 3.32Å; T220-N224 WeakPolarHBondContact O-CB 3.5Å; T220-N224 PolarHBondContact O-N 2.9Å; T220-N224 PolarHBondContact O-ND2 3.06Å; T222-N224 VanDerWaalsContact C-N 3.26Å; T222-N224 PolarHBondContact O-N 3.07Å; N224-G228 PolarHBondContact O-N 3.29Å; N224-G228 VanDerWaalsContact O-N 3.11Å; N224-S247 PolarHBondContact ND2-OG 3.35Å; N224-S247 VanDerWaalsContact ND2-OG 3.08Å; N224-L248 HydrophobicContact CB-CD2 3.95Å; N224-L248 HydrophobicContact CB-CG 4.43Å; N224-H328 PolarHBondContact OD1-CE1 3.42Å; N224-H328 PolarHBondContact OD1-NE2 3.03Å; N224-D330 PolarHBondContact ND2-OD2 3.39Å; N224-T362 WeakPolarHBondContact OD1-CB 3.19Å; N224-T362 PolarHBondContact OD1-OG1 3.21Å |
| 225 | K | 98.7 | Very high | 98.3 | Very high | 26 Ų | 26 | 24.9 Ų | 24.9 | 11% | 0.113 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -76.4 | -41.8 | 177.4 | -63 | -174 | -169.5 | 74.8 | 0 | 112 | S221 T222 S223 G228 M229 M254 | S221-K225 PolarHBondContact O-NZ 3.05Å; T222-K225 WeakPolarHBondContact O-CA 3.23Å; T222-K225 WeakPolarHBondContact O-CB 3.47Å; T222-K225 PolarHBondContact O-N 2.98Å; S223-K225 VanDerWaalsContact C-N 3.26Å; S223-K225 PolarHBondContact O-N 2.93Å; K225-G228 PolarHBondContact O-N 3.25Å; K225-M229 VanDerWaalsContact O-CB 3.31Å; K225-M229 WeakPolarHBondContact O-CB 3.36Å; K225-M229 WeakPolarHBondContact O-CG 3.42Å; K225-M229 PolarHBondContact O-N 3.3Å; K225-M254 HydrophobicContact CD-CE 4.48Å; K225-M254 HydrophobicContact CD-SD 3.75Å |
| 226 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56 | -54.4 | 176.2 | -66.3 | 164.8 | 0 | 0 | 0 | 109.7 | V216 T222 S223 G228 M229 Y230 I378 F389 A392 F393 H396 | V216-I226 HydrophobicContact CG1-CD1 4.44Å; V216-I226 HydrophobicContact CG2-CD1 4.01Å; T222-I226 HydrophobicContact CG2-CD1 4.07Å; T222-I226 HydrophobicContact CG2-CG1 4.47Å; T222-I226 WeakPolarHBondContact O-CG1 3.37Å; T222-I226 PolarHBondContact O-N 3.32Å; S223-I226 PolarHBondContact O-N 3.46Å; I226-G228 PolarHBondContact O-N 3.47Å; I226-M229 PolarHBondContact O-N 3.02Å; I226-Y230 WeakPolarHBondContact O-CB 3.37Å; I226-Y230 PolarHBondContact O-N 3.43Å; I226-Y230 VanDerWaalsContact O-N 3.11Å; I226-I378 HydrophobicContact CB-CD1 3.94Å; I226-I378 HydrophobicContact CD1-CD1 4.13Å; I226-I378 HydrophobicContact CG2-CD1 3.74Å; I226-F389 HydrophobicContact CG2-CE1 4.18Å; I226-F389 HydrophobicContact CG2-CE2 4.39Å; I226-F389 HydrophobicContact CG2-CZ 3.88Å; I226-A392 HydrophobicContact CG2-CB 4.44Å; I226-F393 HydrophobicContact CD1-CD2 3.94Å; I226-F393 HydrophobicContact CG2-CB 4.14Å; I226-H396 HydrophobicContact CD1-CB 4.01Å; I226-H396 HydrophobicContact CG1-CB 3.63Å |
| 227 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 178.6 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | S223 Y230 A231 H328 F360 T362 I378 F389 | S223-V227 WeakPolarHBondContact O-CG2 3.49Å; S223-V227 PolarHBondContact O-N 3.11Å; V227-Y230 PolarHBondContact O-N 3.17Å; V227-A231 VanDerWaalsContact O-CB 3.27Å; V227-A231 WeakPolarHBondContact O-CB 3.49Å; V227-A231 PolarHBondContact O-N 2.93Å; V227-H328 HydrophobicContact CG1-CB 4.05Å; V227-F360 HydrophobicContact CG1-CB 3.9Å; V227-F360 HydrophobicContact CG1-CD1 4.02Å; V227-F360 HydrophobicContact CG1-CD2 3.78Å; V227-F360 HydrophobicContact CG1-CE2 4.3Å; V227-F360 HydrophobicContact CG1-CG 3.63Å; V227-F360 HydrophobicContact CG2-CB 4.41Å; V227-F360 HydrophobicContact CG2-CD1 4.04Å; V227-F360 HydrophobicContact CG2-CG 4.32Å; V227-T362 HydrophobicContact CG2-CG2 4Å; V227-I378 HydrophobicContact CG2-CD1 4.21Å; V227-I378 HydrophobicContact CG2-CG1 4.33Å; V227-I378 HydrophobicContact CG2-CG2 3.65Å; V227-F389 HydrophobicContact CG2-CE2 4.43Å; V227-F389 HydrophobicContact CG2-CZ 4.5Å |
| 228 | G | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.5 | -38.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N224 K225 I226 A231 A232 | N224-G228 PolarHBondContact O-N 3.29Å; N224-G228 VanDerWaalsContact O-N 3.11Å; K225-G228 PolarHBondContact O-N 3.25Å; I226-G228 PolarHBondContact O-N 3.47Å; G228-A231 PolarHBondContact O-N 3.36Å; G228-A232 WeakPolarHBondContact O-CB 3.36Å; G228-A232 PolarHBondContact O-N 3.1Å |
| 229 | M | 98.3 | Very high | 98.3 | Very high | 47 Ų | 47 | 20.8 Ų | 20.8 | 23% | 0.232 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.7 | -79.2 | -164 | -178.8 | 0 | 0 | 112.3 | K225 I226 L251 M254 N255 H396 | K225-M229 VanDerWaalsContact O-CB 3.31Å; K225-M229 WeakPolarHBondContact O-CB 3.36Å; K225-M229 WeakPolarHBondContact O-CG 3.42Å; K225-M229 PolarHBondContact O-N 3.3Å; I226-M229 PolarHBondContact O-N 3.02Å; M229-L251 HydrophobicContact CG-CD1 4.32Å; M229-M254 HydrophobicContact CE-CB 4.14Å; M229-M254 HydrophobicContact CE-CE 3.48Å; M229-M254 VanDerWaalsContact CE-CE 3.48Å; M229-M254 HydrophobicContact CE-SD 4.45Å; M229-N255 WeakPolarHBondContact CE-OD1 3.38Å; M229-N255 WeakPolarHBondContact CG-ND2 3.18Å; M229-N255 WeakPolarHBondContact CG-OD1 3.35Å; M229-H396 WeakPolarHBondContact CE-NE2 3.27Å; M229-H396 PolarHBondContact SD-NE2 3.05Å |
| 230 | Y | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 20.5 Ų | 20.5 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.5 | -47.8 | 172.9 | 167.9 | -98.6 | 0 | 0 | 0 | 111.6 | I226 V227 F360 Y384 D385 A388 F389 | I226-Y230 WeakPolarHBondContact O-CB 3.37Å; I226-Y230 PolarHBondContact O-N 3.43Å; I226-Y230 VanDerWaalsContact O-N 3.11Å; V227-Y230 PolarHBondContact O-N 3.17Å; Y230-F360 HydrophobicContact CD1-CZ 4.03Å; Y230-F360 AromaticContact CE1-CZ 3.89Å; Y230-F360 HydrophobicContact CE1-CZ 3.89Å; Y230-Y384 WeakPolarHBondContact OH-CA 3.49Å; Y230-Y384 WeakPolarHBondContact OH-CB 3.42Å; Y230-D385 HydrophobicContact CE2-CB 4.3Å; Y230-D385 PolarHBondContact OH-N 3.29Å; Y230-A388 HydrophobicContact CD2-CB 4.41Å; Y230-A388 HydrophobicContact CE2-CB 4.17Å; Y230-F389 AromaticContact CD1-CD2 3.73Å; Y230-F389 HydrophobicContact CD1-CD2 3.73Å; Y230-F389 HydrophobicContact CD1-CE2 4.31Å; Y230-F389 HydrophobicContact CD2-CB 3.84Å; Y230-F389 AromaticContact CD2-CD2 3.93Å; Y230-F389 HydrophobicContact CD2-CD2 3.93Å; Y230-F389 HydrophobicContact CD2-CG 4.37Å; Y230-F389 HydrophobicContact CE1-CD2 4.21Å; Y230-F389 HydrophobicContact CE2-CB 3.94Å; Y230-F389 HydrophobicContact CE2-CD2 4.38Å; Y230-F389 HydrophobicContact CG-CB 4.38Å; Y230-F389 AromaticContact CG-CD2 3.59Å; Y230-F389 HydrophobicContact CG-CD2 3.59Å; Y230-F389 HydrophobicContact CG-CE2 4.36Å; Y230-F389 HydrophobicContact CG-CG 4.43Å |
| 231 | A | 98.2 | Very high | 98.2 | Very high | 13 Ų | 13 | 20.2 Ų | 20.2 | 11% | 0.107 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -86 | -18.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V227 G228 H300 | V227-A231 VanDerWaalsContact O-CB 3.27Å; V227-A231 WeakPolarHBondContact O-CB 3.49Å; V227-A231 PolarHBondContact O-N 2.93Å; G228-A231 PolarHBondContact O-N 3.36Å; A231-H300 HydrophobicContact CB-CB 4.01Å; A231-H300 WeakPolarHBondContact CB-ND1 3.45Å |
| 232 | A | 97.7 | Very high | 98 | Very high | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | trans | -126.8 | 87.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G228 L238 V257 H300 | G228-A232 WeakPolarHBondContact O-CB 3.36Å; G228-A232 PolarHBondContact O-N 3.1Å; A232-L238 HydrophobicContact CB-CD1 3.88Å; A232-V257 HydrophobicContact CB-CG1 4.07Å; A232-H300 HydrophobicContact CB-CB 4.44Å | ||
| 233 | P | 97.6 | Very high | 97.6 | Very high | 79 Ų | 79 | 19.3 Ų | 19.3 | 51% | 0.513 | 12% | 0.12 | S | C | . | . | trans | -66.8 | 159.6 | 177.2 | 27.9 | -34.7 | 0 | 0 | 0 | 112.1 | G235 S236 | P233-G235 PolarHBondContact O-N 2.97Å; P233-S236 WeakPolarHBondContact O-CB 3.33Å; P233-S236 PolarHBondContact O-N 3.09Å; P233-S236 VanDerWaalsContact O-N 3.08Å; P233-S236 PolarHBondContact O-OG 2.86Å | ||
| 234 | S | 97.3 | Very high | 97.2 | Very high | 98 Ų | 98 | 19.5 Ų | 19.5 | 69% | 0.685 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 137.3 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | S236 D256 | S234-S236 VanDerWaalsContact C-N 3.26Å; S234-S236 PolarHBondContact O-N 3.09Å; S234-D256 CarbonylContact C-O 3.55Å; S234-D256 WeakPolarHBondContact CA-O 3.36Å |
| 235 | G | 96.7 | Very high | 96.9 | Very high | 41 Ų | 41 | 22.8 Ų | 22.8 | 42% | 0.423 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -5.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P233 D256 | P233-G235 PolarHBondContact O-N 2.97Å; G235-D256 PolarHBondContact N-O 3.12Å |
| 236 | S | 98.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | trans | -78.9 | 169.9 | 176.4 | 71.8 | 0 | 0 | 0 | 0 | 112.9 | P233 S234 V258 | P233-S236 WeakPolarHBondContact O-CB 3.33Å; P233-S236 PolarHBondContact O-N 3.09Å; P233-S236 VanDerWaalsContact O-N 3.08Å; P233-S236 PolarHBondContact O-OG 2.86Å; S234-S236 VanDerWaalsContact C-N 3.26Å; S234-S236 PolarHBondContact O-N 3.09Å; S236-V258 PolarHBondContact O-N 3.35Å | ||
| 237 | T | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.9 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | V258 V260 A295 Q296 P298 V299 | T237-V258 WeakPolarHBondContact CA-O 3.49Å; T237-V258 WeakPolarHBondContact CG2-O 3.27Å; T237-V260 HydrophobicContact CG2-CB 4.33Å; T237-V260 HydrophobicContact CG2-CG2 3.57Å; T237-A295 HydrophobicContact CG2-CB 4.22Å; T237-A295 WeakPolarHBondContact OG1-CA 3.44Å; T237-Q296 VanDerWaalsContact CB-O 3.3Å; T237-Q296 WeakPolarHBondContact CB-O 3.26Å; T237-Q296 WeakPolarHBondContact CG2-O 3.42Å; T237-Q296 PolarHBondContact OG1-N 2.9Å; T237-Q296 PolarHBondContact OG1-O 3.15Å; T237-P298 HydrophobicContact CG2-CG 4.26Å; T237-P298 WeakPolarHBondContact O-CA 3.48Å; T237-V299 PolarHBondContact O-N 3.42Å |
| 238 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.3 | -178.7 | -168.6 | 165.6 | 0 | 0 | 0 | 109 | A232 I240 L251 L252 V258 P259 V260 H300 V302 | A232-L238 HydrophobicContact CB-CD1 3.88Å; L238-I240 HydrophobicContact CD2-CB 3.53Å; L238-I240 HydrophobicContact CD2-CD1 4.21Å; L238-I240 HydrophobicContact CD2-CG1 4.38Å; L238-I240 HydrophobicContact CD2-CG2 4.11Å; L238-L251 HydrophobicContact CD1-CD2 4.27Å; L238-L252 HydrophobicContact CD1-CD2 4.48Å; L238-V258 PolarHBondContact N-O 3.02Å; L238-P259 WeakPolarHBondContact O-CA 3.31Å; L238-V260 PolarHBondContact O-N 2.85Å; L238-H300 WeakPolarHBondContact CA-O 3.48Å; L238-H300 HydrophobicContact CG-CB 4.4Å; L238-V302 HydrophobicContact CD2-CG2 4.05Å |
| 239 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 112.7 | 177.2 | -173.4 | 67.9 | 0 | 0 | 0 | 109.5 | V260 L262 I285 P298 H300 A301 V302 L322 | L239-V260 CarbonylContact C-O 3.56Å; L239-V260 WeakPolarHBondContact CA-O 3.33Å; L239-V260 HydrophobicContact CD1-CB 4.12Å; L239-V260 HydrophobicContact CD1-CG1 3.77Å; L239-L262 HydrophobicContact CD1-CD2 3.87Å; L239-L262 HydrophobicContact CD1-CG 3.89Å; L239-L262 HydrophobicContact CD2-CD1 4.15Å; L239-L262 HydrophobicContact CD2-CD2 4.07Å; L239-L262 HydrophobicContact CD2-CG 4.27Å; L239-L262 HydrophobicContact CG-CD1 3.89Å; L239-L262 HydrophobicContact CG-CD2 4Å; L239-L262 HydrophobicContact CG-CG 3.78Å; L239-I285 HydrophobicContact CD2-CD1 3.87Å; L239-I285 HydrophobicContact CD2-CG1 4.24Å; L239-P298 HydrophobicContact CB-CB 3.8Å; L239-P298 HydrophobicContact CB-CG 3.96Å; L239-H300 PolarHBondContact N-O 2.96Å; L239-A301 HydrophobicContact CB-CB 4.15Å; L239-A301 HydrophobicContact CD2-CB 4.34Å; L239-A301 CarbonylContact O-C 3.49Å; L239-A301 WeakPolarHBondContact O-CA 3.43Å; L239-V302 PolarHBondContact O-N 3.29Å; L239-L322 HydrophobicContact CD2-CD1 3.85Å |
| 240 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.3 | -167.2 | -179.8 | 154.5 | 0 | 0 | 0 | 112.7 | L238 R242 C244 L248 L252 P259 V260 W261 L262 | L238-I240 HydrophobicContact CD2-CB 3.53Å; L238-I240 HydrophobicContact CD2-CD1 4.21Å; L238-I240 HydrophobicContact CD2-CG1 4.38Å; L238-I240 HydrophobicContact CD2-CG2 4.11Å; I240-R242 PolarHBondContact O-N 3.03Å; I240-C244 HydrophobicContact CD1-CB 4.12Å; I240-C244 HydrophobicContact CG1-CB 4.14Å; I240-L248 HydrophobicContact CD1-CB 3.9Å; I240-L252 HydrophobicContact CD1-CD1 4.18Å; I240-L252 HydrophobicContact CD1-CG 4.5Å; I240-P259 HydrophobicContact CG2-CB 3.95Å; I240-V260 PolarHBondContact N-O 3.22Å; I240-W261 HydrophobicContact CB-CE3 4.48Å; I240-W261 HydrophobicContact CB-CZ3 4.34Å; I240-W261 HydrophobicContact CD1-CZ3 4.49Å; I240-W261 HydrophobicContact CG1-CZ3 4.08Å; I240-W261 HydrophobicContact CG2-CD2 4.19Å; I240-W261 HydrophobicContact CG2-CE3 3.51Å; I240-W261 HydrophobicContact CG2-CH2 4.09Å; I240-W261 HydrophobicContact CG2-CZ3 3.46Å; I240-W261 VanDerWaalsContact CG2-CZ3 3.46Å; I240-W261 CarbonylContact O-C 3.46Å; I240-W261 WeakPolarHBondContact O-CA 3.34Å; I240-L262 PolarHBondContact O-N 2.74Å |
| 241 | D | 96.9 | Very high | 96 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 126.6 | 168.8 | -169.6 | -8.9 | 0 | 0 | 0 | 111.2 | N243 C244 I275 V302 T304 | D241-N243 PolarHBondContact O-N 3.35Å; D241-N243 VanDerWaalsContact OD1-CB 3.3Å; D241-N243 WeakPolarHBondContact OD1-CB 3.47Å; D241-N243 PolarHBondContact OD1-N 3.15Å; D241-C244 WeakPolarHBondContact O-CB 3.43Å; D241-C244 PolarHBondContact O-N 2.99Å; D241-C244 VanDerWaalsContact O-N 3.15Å; D241-I275 HydrophobicContact CB-CD1 4Å; D241-V302 PolarHBondContact N-O 3.23Å; D241-T304 PolarHBondContact OD2-N 3.4Å |
| 242 | R | 94.7 | Very high | 96 | Very high | 17 Ų | 17 | 24.3 Ų | 24.3 | 6% | 0.064 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.4 | 174.1 | -166.2 | 64.8 | 178.6 | -168.5 | -4.4 | 112.1 | I240 C244 W261 L262 L613 L658 E663 | I240-R242 PolarHBondContact O-N 3.03Å; R242-C244 PolarHBondContact O-N 3.15Å; R242-C244 VanDerWaalsContact O-N 3.16Å; R242-W261 HydrophobicContact CB-CE3 4.28Å; R242-W261 VanDerWaalsContact CD-CE3 3.49Å; R242-L262 WeakPolarHBondContact CB-O 3.47Å; R242-L262 PolarHBondContact N-O 3.09Å; R242-L613 HydrophobicContact CG-CD2 3.97Å; R242-L658 PolarHBondContact NH2-O 3.17Å; R242-E663 IonicContact CZ-OE1 3.4Å; R242-E663 IonicContact CZ-OE2 2.76Å; R242-E663 IonicContact NH1-OE1 3.61Å; R242-E663 PolarHBondContact NH1-OE1 3.39Å; R242-E663 IonicContact NH1-OE2 3.06Å; R242-E663 VanDerWaalsContact NH2-CD 3.32Å; R242-E663 IonicContact NH2-OE1 2.77Å; R242-E663 PolarHBondContact NH2-OE1 3.49Å; R242-E663 VanDerWaalsContact NH2-OE1 3.08Å; R242-E663 IonicContact NH2-OE2 2.71Å; R242-E663 PolarHBondContact NH2-OE2 3.31Å |
| 243 | N | 89.5 | Confident | 95.9 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 39.8 | 166.5 | -174.3 | 27.4 | 0 | 0 | 0 | 112.3 | D241 P264 L272 T304 V656 | D241-N243 PolarHBondContact O-N 3.35Å; D241-N243 VanDerWaalsContact OD1-CB 3.3Å; D241-N243 WeakPolarHBondContact OD1-CB 3.47Å; D241-N243 PolarHBondContact OD1-N 3.15Å; N243-P264 HydrophobicContact CB-CG 4.11Å; N243-L272 HydrophobicContact CB-CD2 3.65Å; N243-L272 VanDerWaalsContact CG-CD2 3.42Å; N243-T304 PolarHBondContact O-OG1 2.62Å; N243-V656 WeakPolarHBondContact OD1-CG1 3.34Å |
| 244 | C | 91.5 | Very high | 96 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | trans | -79.4 | 142.7 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | I240 D241 R242 L248 P657 | I240-C244 HydrophobicContact CD1-CB 4.12Å; I240-C244 HydrophobicContact CG1-CB 4.14Å; D241-C244 WeakPolarHBondContact O-CB 3.43Å; D241-C244 PolarHBondContact O-N 2.99Å; D241-C244 VanDerWaalsContact O-N 3.15Å; R242-C244 PolarHBondContact O-N 3.15Å; R242-C244 VanDerWaalsContact O-N 3.16Å; C244-L248 HydrophobicContact CB-CB 3.88Å; C244-L248 HydrophobicContact CB-CD1 3.67Å; C244-L248 HydrophobicContact CB-CG 4.42Å; C244-P657 WeakPolarHBondContact O-CD 3.26Å | ||
| 245 | H | 92.3 | Very high | 95.9 | Very high | 71 Ų | 71 | 22 Ų | 22 | 33% | 0.329 | 12% | 0.115 | S | C | . | . | trans | -63.3 | 149.7 | 167.9 | -179.9 | -108.8 | 0 | 0 | 0 | 110.8 | S247 L248 | H245-S247 WeakPolarHBondContact ND1-CB 3.47Å; H245-S247 PolarHBondContact ND1-N 3.37Å; H245-S247 PolarHBondContact ND1-OG 3.4Å; H245-S247 PolarHBondContact O-N 3.14Å; H245-L248 WeakPolarHBondContact O-CB 3.02Å; H245-L248 PolarHBondContact O-N 2.99Å | ||
| 246 | K | 90.9 | Very high | 96 | Very high | 91 Ų | 91 | 23.1 Ų | 23.1 | 40% | 0.396 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -50.3 | -25.7 | 180 | 65.8 | -176 | 175.8 | -171.7 | 0 | 114.8 | L248 A249 H250 M648 | K246-L248 VanDerWaalsContact C-N 3.29Å; K246-L248 PolarHBondContact O-N 2.79Å; K246-A249 WeakPolarHBondContact O-CB 3.48Å; K246-A249 PolarHBondContact O-N 2.8Å; K246-H250 PolarHBondContact O-N 2.74Å; K246-M648 HydrophobicContact CB-CE 3.83Å |
| 247 | S | 95.9 | Very high | 96 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.1 | -33.8 | 175.2 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | S221 N224 H245 H250 L251 | S221-S247 WeakPolarHBondContact O-CB 3.47Å; N224-S247 PolarHBondContact ND2-OG 3.35Å; N224-S247 VanDerWaalsContact ND2-OG 3.08Å; H245-S247 WeakPolarHBondContact ND1-CB 3.47Å; H245-S247 PolarHBondContact ND1-N 3.37Å; H245-S247 PolarHBondContact ND1-OG 3.4Å; H245-S247 PolarHBondContact O-N 3.14Å; S247-H250 WeakPolarHBondContact O-CB 3.25Å; S247-H250 PolarHBondContact O-N 2.84Å; S247-L251 PolarHBondContact O-N 3.1Å |
| 248 | L | 96.7 | Very high | 96 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -76.7 | -32.8 | 176.6 | -67.7 | 166.8 | 0 | 0 | 0 | 110.8 | N224 I240 C244 H245 K246 H250 L251 L252 V302 | N224-L248 HydrophobicContact CB-CD2 3.95Å; N224-L248 HydrophobicContact CB-CG 4.43Å; I240-L248 HydrophobicContact CD1-CB 3.9Å; C244-L248 HydrophobicContact CB-CB 3.88Å; C244-L248 HydrophobicContact CB-CD1 3.67Å; C244-L248 HydrophobicContact CB-CG 4.42Å; H245-L248 WeakPolarHBondContact O-CB 3.02Å; H245-L248 PolarHBondContact O-N 2.99Å; K246-L248 VanDerWaalsContact C-N 3.29Å; K246-L248 PolarHBondContact O-N 2.79Å; L248-H250 VanDerWaalsContact C-N 3.31Å; L248-H250 PolarHBondContact O-N 2.95Å; L248-L251 HydrophobicContact CD2-CD2 3.98Å; L248-L251 WeakPolarHBondContact O-CB 3.37Å; L248-L251 PolarHBondContact O-N 2.96Å; L248-L252 WeakPolarHBondContact O-CG 3.15Å; L248-L252 PolarHBondContact O-N 3.16Å; L248-V302 HydrophobicContact CD1-CG1 3.57Å; L248-V302 HydrophobicContact CD2-CG1 3.88Å; L248-V302 HydrophobicContact CD2-CG2 4.45Å; L248-V302 HydrophobicContact CG-CG1 4.39Å |
| 249 | A | 94 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K246 L252 M253 M648 M660 | K246-A249 WeakPolarHBondContact O-CB 3.48Å; K246-A249 PolarHBondContact O-N 2.8Å; A249-L252 PolarHBondContact O-N 2.73Å; A249-M253 WeakPolarHBondContact O-CG 3.38Å; A249-M253 PolarHBondContact O-N 2.96Å; A249-M253 VanDerWaalsContact O-N 3.08Å; A249-M648 HydrophobicContact CB-SD 3.72Å; A249-M660 HydrophobicContact CB-CE 3.5Å; A249-M660 VanDerWaalsContact CB-CE 3.5Å; A249-M660 HydrophobicContact CB-SD 4.11Å |
| 250 | H | 96.3 | Very high | 95.9 | Very high | 81 Ų | 81 | 23.3 Ų | 23.3 | 38% | 0.375 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.5 | -37.6 | 173.2 | -62.8 | 163.4 | 0 | 0 | 0 | 112.7 | K246 S247 L248 L252 M253 M254 | K246-H250 PolarHBondContact O-N 2.74Å; S247-H250 WeakPolarHBondContact O-CB 3.25Å; S247-H250 PolarHBondContact O-N 2.84Å; L248-H250 VanDerWaalsContact C-N 3.31Å; L248-H250 PolarHBondContact O-N 2.95Å; H250-L252 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 2.95Å; H250-M253 PolarHBondContact O-N 3.23Å; H250-M254 WeakPolarHBondContact O-CB 3.36Å; H250-M254 VanDerWaalsContact O-CG 3.23Å; H250-M254 WeakPolarHBondContact O-CG 3.25Å; H250-M254 PolarHBondContact O-N 2.87Å |
| 251 | L | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.8 | -49 | 171.8 | 168.7 | 70.7 | 0 | 0 | 0 | 110.7 | M229 L238 S247 L248 M253 M254 N255 | M229-L251 HydrophobicContact CG-CD1 4.32Å; L238-L251 HydrophobicContact CD1-CD2 4.27Å; S247-L251 PolarHBondContact O-N 3.1Å; L248-L251 HydrophobicContact CD2-CD2 3.98Å; L248-L251 WeakPolarHBondContact O-CB 3.37Å; L248-L251 PolarHBondContact O-N 2.96Å; L251-M253 VanDerWaalsContact C-N 3.25Å; L251-M253 PolarHBondContact O-N 2.88Å; L251-M254 PolarHBondContact O-N 2.84Å; L251-M254 VanDerWaalsContact O-N 3.12Å; L251-N255 WeakPolarHBondContact CD1-ND2 3.34Å; L251-N255 PolarHBondContact O-N 3.22Å |
| 252 | L | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -26 | 177.9 | -63.9 | 177.5 | 0 | 0 | 0 | 113.7 | L238 I240 L248 A249 H250 V257 P259 W261 P620 H621 M660 | L238-L252 HydrophobicContact CD1-CD2 4.48Å; I240-L252 HydrophobicContact CD1-CD1 4.18Å; I240-L252 HydrophobicContact CD1-CG 4.5Å; L248-L252 WeakPolarHBondContact O-CG 3.15Å; L248-L252 PolarHBondContact O-N 3.16Å; A249-L252 PolarHBondContact O-N 2.73Å; H250-L252 VanDerWaalsContact C-N 3.34Å; H250-L252 PolarHBondContact O-N 2.95Å; L252-V257 HydrophobicContact CD2-CG2 3.71Å; L252-P259 HydrophobicContact CD1-CB 3.91Å; L252-P259 HydrophobicContact CD1-CG 4.29Å; L252-P259 HydrophobicContact CD2-CB 4Å; L252-W261 HydrophobicContact CD1-CH2 3.64Å; L252-W261 HydrophobicContact CD1-CZ2 4.26Å; L252-W261 HydrophobicContact CD1-CZ3 4.44Å; L252-P620 HydrophobicContact CB-CB 3.99Å; L252-P620 HydrophobicContact CB-CG 3.98Å; L252-P620 HydrophobicContact CD1-CG 4.34Å; L252-H621 PolarHBondContact O-N 3.45Å; L252-H621 VanDerWaalsContact O-N 3.1Å; L252-M660 HydrophobicContact CD1-CE 3.97Å |
| 253 | M | 97.5 | Very high | 95.8 | Very high | 23 Ų | 23 | 27 Ų | 27 | 11% | 0.113 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -78.5 | -32.8 | 173.9 | -67.4 | 163.6 | 61.5 | 0 | 0 | 112 | A249 H250 L251 P620 H621 W624 P661 | A249-M253 WeakPolarHBondContact O-CG 3.38Å; A249-M253 PolarHBondContact O-N 2.96Å; A249-M253 VanDerWaalsContact O-N 3.08Å; H250-M253 PolarHBondContact O-N 3.23Å; L251-M253 VanDerWaalsContact C-N 3.25Å; L251-M253 PolarHBondContact O-N 2.88Å; M253-P620 HydrophobicContact CG-CB 4.01Å; M253-H621 PolarHBondContact O-ND1 3.11Å; M253-W624 HydrophobicContact CB-CB 4.16Å; M253-W624 HydrophobicContact CB-CG 4.26Å; M253-W624 HydrophobicContact CE-CB 4.33Å; M253-W624 HydrophobicContact CE-CD2 3.63Å; M253-W624 HydrophobicContact CE-CE3 3.31Å; M253-W624 HydrophobicContact CE-CG 4.07Å; M253-W624 HydrophobicContact CE-CZ3 3.79Å; M253-W624 HydrophobicContact CG-CB 4.42Å; M253-P661 HydrophobicContact CG-CG 4.25Å; M253-P661 HydrophobicContact SD-CG 4.03Å |
| 254 | M | 97.8 | Very high | 96 | Very high | 88 Ų | 88 | 27.9 Ų | 27.9 | 43% | 0.433 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -79.8 | -36.5 | -178.6 | -70.6 | 176 | 71 | 0 | 0 | 112.2 | K225 M229 H250 L251 H621 | K225-M254 HydrophobicContact CD-CE 4.48Å; K225-M254 HydrophobicContact CD-SD 3.75Å; M229-M254 HydrophobicContact CE-CB 4.14Å; M229-M254 HydrophobicContact CE-CE 3.48Å; M229-M254 VanDerWaalsContact CE-CE 3.48Å; M229-M254 HydrophobicContact CE-SD 4.45Å; H250-M254 WeakPolarHBondContact O-CB 3.36Å; H250-M254 VanDerWaalsContact O-CG 3.23Å; H250-M254 WeakPolarHBondContact O-CG 3.25Å; H250-M254 PolarHBondContact O-N 2.87Å; L251-M254 PolarHBondContact O-N 2.84Å; L251-M254 VanDerWaalsContact O-N 3.12Å; M254-H621 PolarHBondContact O-ND1 2.84Å |
| 255 | N | 96.6 | Very high | 96 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 11% | 0.107 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -104.5 | 135.5 | -175.1 | -64.4 | -2 | 0 | 0 | 0 | 111.4 | M229 L251 V257 H621 | M229-N255 WeakPolarHBondContact CE-OD1 3.38Å; M229-N255 WeakPolarHBondContact CG-ND2 3.18Å; M229-N255 WeakPolarHBondContact CG-OD1 3.35Å; L251-N255 WeakPolarHBondContact CD1-ND2 3.34Å; L251-N255 PolarHBondContact O-N 3.22Å; N255-V257 VanDerWaalsContact C-N 3.26Å; N255-V257 HydrophobicContact CB-CG1 4.13Å; N255-V257 HydrophobicContact CB-CG2 4.29Å; N255-V257 PolarHBondContact O-N 2.99Å; N255-H621 WeakPolarHBondContact O-CB 3.31Å |
| 256 | D | 97.9 | Very high | 96 | Very high | 65 Ų | 65 | 28 Ų | 28 | 35% | 0.348 | 14% | 0.137 | S | C | . | . | trans | -77.1 | 76.1 | 175.5 | -171.1 | 28 | 0 | 0 | 0 | 110.7 | S234 G235 H621 | S234-D256 CarbonylContact C-O 3.55Å; S234-D256 WeakPolarHBondContact CA-O 3.36Å; G235-D256 PolarHBondContact N-O 3.12Å; D256-H621 IonicContact OD1-CD2 3.22Å | ||
| 257 | V | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | trans | -127.3 | 154.8 | -178.6 | -62.8 | 0 | 0 | 0 | 0 | 111 | A232 L252 N255 P259 T619 | A232-V257 HydrophobicContact CB-CG1 4.07Å; L252-V257 HydrophobicContact CD2-CG2 3.71Å; N255-V257 VanDerWaalsContact C-N 3.26Å; N255-V257 HydrophobicContact CB-CG1 4.13Å; N255-V257 HydrophobicContact CB-CG2 4.29Å; N255-V257 PolarHBondContact O-N 2.99Å; V257-P259 WeakPolarHBondContact O-CD 3.3Å; V257-T619 WeakPolarHBondContact O-CG2 3.41Å | ||
| 258 | V | 98.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 111.6 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | S236 T237 L238 T292 Q294 A295 M616 T619 | S236-V258 PolarHBondContact O-N 3.35Å; T237-V258 WeakPolarHBondContact CA-O 3.49Å; T237-V258 WeakPolarHBondContact CG2-O 3.27Å; L238-V258 PolarHBondContact N-O 3.02Å; V258-T292 HydrophobicContact CG1-CG2 3.7Å; V258-Q294 HydrophobicContact CG2-CB 4.19Å; V258-A295 HydrophobicContact CG1-CB 4.06Å; V258-M616 HydrophobicContact CG1-CE 4.25Å; V258-T619 HydrophobicContact CG2-CG2 4.33Å |
| 259 | P | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.5 | 176.5 | 30.5 | -32.3 | 0 | 0 | 0 | 111.2 | L238 I240 L252 V257 W261 M616 P620 | L238-P259 WeakPolarHBondContact O-CA 3.31Å; I240-P259 HydrophobicContact CG2-CB 3.95Å; L252-P259 HydrophobicContact CD1-CB 3.91Å; L252-P259 HydrophobicContact CD1-CG 4.29Å; L252-P259 HydrophobicContact CD2-CB 4Å; V257-P259 WeakPolarHBondContact O-CD 3.3Å; P259-W261 HydrophobicContact CB-CH2 4.41Å; P259-W261 HydrophobicContact CB-CZ2 4.01Å; P259-W261 HydrophobicContact CG-CZ2 4.13Å; P259-M616 HydrophobicContact CG-SD 3.69Å; P259-P620 HydrophobicContact CG-CG 4.49Å |
| 260 | V | 97.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.2 | 166.4 | 173.8 | 0 | 0 | 0 | 0 | 108.1 | T237 L238 L239 I240 K288 T292 A295 | T237-V260 HydrophobicContact CG2-CB 4.33Å; T237-V260 HydrophobicContact CG2-CG2 3.57Å; L238-V260 PolarHBondContact O-N 2.85Å; L239-V260 CarbonylContact C-O 3.56Å; L239-V260 WeakPolarHBondContact CA-O 3.33Å; L239-V260 HydrophobicContact CD1-CB 4.12Å; L239-V260 HydrophobicContact CD1-CG1 3.77Å; I240-V260 PolarHBondContact N-O 3.22Å; V260-K288 HydrophobicContact CG1-CB 3.67Å; V260-K288 HydrophobicContact CG1-CD 4.02Å; V260-K288 HydrophobicContact CG1-CG 4.48Å; V260-T292 HydrophobicContact CG2-CG2 4.38Å; V260-A295 HydrophobicContact CG2-CB 4.21Å |
| 261 | W | 96.6 | Very high | 95.2 | Very high | 23 Ų | 23 | 20.2 Ų | 20.2 | 9% | 0.087 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 133.2 | -171 | -58 | 108.4 | 0 | 0 | 0 | 113.1 | I240 R242 L252 P259 K288 L613 M660 | I240-W261 HydrophobicContact CB-CE3 4.48Å; I240-W261 HydrophobicContact CB-CZ3 4.34Å; I240-W261 HydrophobicContact CD1-CZ3 4.49Å; I240-W261 HydrophobicContact CG1-CZ3 4.08Å; I240-W261 HydrophobicContact CG2-CD2 4.19Å; I240-W261 HydrophobicContact CG2-CE3 3.51Å; I240-W261 HydrophobicContact CG2-CH2 4.09Å; I240-W261 HydrophobicContact CG2-CZ3 3.46Å; I240-W261 VanDerWaalsContact CG2-CZ3 3.46Å; I240-W261 CarbonylContact O-C 3.46Å; I240-W261 WeakPolarHBondContact O-CA 3.34Å; R242-W261 HydrophobicContact CB-CE3 4.28Å; R242-W261 VanDerWaalsContact CD-CE3 3.49Å; L252-W261 HydrophobicContact CD1-CH2 3.64Å; L252-W261 HydrophobicContact CD1-CZ2 4.26Å; L252-W261 HydrophobicContact CD1-CZ3 4.44Å; P259-W261 HydrophobicContact CB-CH2 4.41Å; P259-W261 HydrophobicContact CB-CZ2 4.01Å; P259-W261 HydrophobicContact CG-CZ2 4.13Å; W261-K288 PolarHBondContact O-NZ 3.2Å; W261-L613 HydrophobicContact CB-CD1 3.91Å; W261-L613 HydrophobicContact CG-CD1 4.17Å; W261-M660 HydrophobicContact CH2-CE 3.84Å; W261-M660 HydrophobicContact CH2-CG 3.98Å; W261-M660 HydrophobicContact CH2-SD 4.26Å; W261-M660 HydrophobicContact CZ2-CE 4.38Å; W261-M660 HydrophobicContact CZ2-CG 3.91Å |
| 262 | L | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.6 | 158.6 | -65.8 | 170.8 | 0 | 0 | 0 | 108.2 | L239 I240 R242 P264 I275 E279 F280 I303 | L239-L262 HydrophobicContact CD1-CD2 3.87Å; L239-L262 HydrophobicContact CD1-CG 3.89Å; L239-L262 HydrophobicContact CD2-CD1 4.15Å; L239-L262 HydrophobicContact CD2-CD2 4.07Å; L239-L262 HydrophobicContact CD2-CG 4.27Å; L239-L262 HydrophobicContact CG-CD1 3.89Å; L239-L262 HydrophobicContact CG-CD2 4Å; L239-L262 HydrophobicContact CG-CG 3.78Å; I240-L262 PolarHBondContact O-N 2.74Å; R242-L262 WeakPolarHBondContact CB-O 3.47Å; R242-L262 PolarHBondContact N-O 3.09Å; L262-P264 WeakPolarHBondContact O-CD 3.37Å; L262-I275 HydrophobicContact CB-CD1 3.69Å; L262-I275 HydrophobicContact CB-CG1 4.04Å; L262-I275 HydrophobicContact CB-CG2 4.04Å; L262-I275 HydrophobicContact CD1-CD1 3.93Å; L262-I275 HydrophobicContact CD2-CG2 4.31Å; L262-I275 HydrophobicContact CG-CD1 4.43Å; L262-E279 HydrophobicContact CD2-CB 3.95Å; L262-E279 WeakPolarHBondContact CD2-O 3.38Å; L262-F280 HydrophobicContact CD1-CD1 4.39Å; L262-F280 HydrophobicContact CD1-CE1 3.81Å; L262-I303 HydrophobicContact CD1-CG1 4.3Å |
| 263 | K | 93.7 | Very high | 94.7 | Very high | 73 Ų | 73 | 20.4 Ų | 20.4 | 32% | 0.317 | 10% | 0.104 | S | C | . | . | trans | -93.3 | 112.5 | -176.9 | -67.1 | -170.9 | 175.6 | -161.5 | 0 | 110.5 | P276 E279 D611 L613 | K263-P276 VanDerWaalsContact O-CD 3.25Å; K263-P276 WeakPolarHBondContact O-CD 3.46Å; K263-E279 PolarHBondContact N-OE2 2.88Å; K263-D611 PolarHBondContact NZ-O 3.2Å; K263-L613 HydrophobicContact CD-CD1 4.41Å; K263-L613 HydrophobicContact CG-CD1 4.27Å | ||
| 264 | P | 93.8 | Very high | 94.6 | Very high | 33 Ų | 33 | 19.5 Ų | 19.5 | 21% | 0.214 | 10% | 0.1 | C | C | . | . | trans | -71.6 | 157.5 | 170.3 | 32.3 | -36 | 0 | 0 | 0 | 111.1 | N243 L262 L272 I275 | N243-P264 HydrophobicContact CB-CG 4.11Å; L262-P264 WeakPolarHBondContact O-CD 3.37Å; P264-L272 HydrophobicContact CG-CD2 4.18Å; P264-I275 HydrophobicContact CB-CG1 4.37Å | ||
| 265 | T | 93 | Very high | 94.5 | Very high | 43 Ų | 43 | 15.3 Ų | 15.3 | 26% | 0.264 | 8% | 0.08 | S | C | . | . | trans | -81.8 | 167.4 | 168.9 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | G273 G274 P276 | T265-G273 PolarHBondContact O-N 2.83Å; T265-G273 WeakPolarHBondContact OG1-CA 3.09Å; T265-G274 PolarHBondContact N-O 3.1Å; T265-G274 PolarHBondContact OG1-N 2.81Å; T265-G274 PolarHBondContact OG1-O 3.31Å; T265-P276 HydrophobicContact CG2-CG 3.59Å | ||
| 266 | R | 92.2 | Very high | 94.5 | Very high | 34 Ų | 34 | 15 Ų | 15 | 13% | 0.128 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -149.6 | 144.8 | 176.5 | -171.6 | -177.4 | -64.1 | -75.3 | -0.5 | 109.9 | G270 I271 L272 L607 | R266-G270 PolarHBondContact NH1-O 3.36Å; R266-I271 WeakPolarHBondContact CA-O 3.27Å; R266-I271 WeakPolarHBondContact CG-O 3.38Å; R266-L272 VanDerWaalsContact NH1-CG 3.33Å; R266-L607 HydrophobicContact CB-CD2 4.12Å; R266-L607 HydrophobicContact CG-CD2 4.04Å |
| 267 | N | 92.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.011 | 7% | 0.072 | C | C | . | . | trans | -98.2 | 173.5 | 170.8 | 70.7 | 9.2 | 0 | 0 | 0 | 111.7 | L269 G270 I271 H474 G475 F476 L607 | N267-L269 PolarHBondContact O-N 2.92Å; N267-L269 WeakPolarHBondContact OD1-CB 3.49Å; N267-L269 PolarHBondContact OD1-N 2.77Å; N267-G270 PolarHBondContact O-N 3.33Å; N267-G270 PolarHBondContact OD1-N 3Å; N267-I271 PolarHBondContact N-O 3.38Å; N267-I271 WeakPolarHBondContact OD1-CB 3.39Å; N267-I271 PolarHBondContact OD1-N 3.25Å; N267-I271 PolarHBondContact OD1-O 2.97Å; N267-H474 PolarHBondContact ND2-O 2.93Å; N267-G475 WeakPolarHBondContact CB-O 3.45Å; N267-F476 HydrophobicContact CB-CD1 3.94Å; N267-F476 HydrophobicContact CB-CE1 3.81Å; N267-F476 HydrophobicContact CB-CZ 4.42Å; N267-L607 WeakPolarHBondContact O-CD2 3.46Å | ||
| 268 | A | 90.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | G270 M498 G502 L607 | A268-G270 PolarHBondContact O-N 2.88Å; A268-G270 VanDerWaalsContact O-N 3.14Å; A268-M498 HydrophobicContact CB-CE 4.41Å; A268-M498 HydrophobicContact CB-SD 4.46Å; A268-M498 VanDerWaalsContact O-CE 3.24Å; A268-M498 WeakPolarHBondContact O-CE 3.41Å; A268-G502 VanDerWaalsContact CB-N 3.32Å; A268-L607 HydrophobicContact CB-CD1 4.28Å |
| 269 | L | 90.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.8 | 173 | -66 | 166.2 | 0 | 0 | 0 | 113.5 | N267 I271 L494 M498 E500 | N267-L269 PolarHBondContact O-N 2.92Å; N267-L269 WeakPolarHBondContact OD1-CB 3.49Å; N267-L269 PolarHBondContact OD1-N 2.77Å; L269-I271 VanDerWaalsContact C-N 3.28Å; L269-I271 HydrophobicContact CB-CD1 4.15Å; L269-I271 HydrophobicContact CB-CG1 4.11Å; L269-I271 HydrophobicContact CD1-CD1 4.01Å; L269-L494 HydrophobicContact CD1-CD1 4.27Å; L269-L494 HydrophobicContact CD1-CD2 3.67Å; L269-L494 HydrophobicContact CD2-CD2 4.22Å; L269-M498 VanDerWaalsContact CA-CE 3.5Å; L269-M498 HydrophobicContact CB-CE 4.32Å; L269-M498 HydrophobicContact CD2-CE 3.56Å; L269-M498 HydrophobicContact CG-CE 4.06Å; L269-E500 HydrophobicContact CD1-CB 4.37Å; L269-E500 HydrophobicContact CD1-CG 3.84Å |
| 270 | G | 89.9 | Confident | 94.4 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | trans | 79.9 | 9.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R266 N267 A268 | R266-G270 PolarHBondContact NH1-O 3.36Å; N267-G270 PolarHBondContact O-N 3.33Å; N267-G270 PolarHBondContact OD1-N 3Å; A268-G270 PolarHBondContact O-N 2.88Å; A268-G270 VanDerWaalsContact O-N 3.14Å | ||
| 271 | I | 92.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -71 | 129.5 | 172.7 | -62 | 171.6 | 0 | 0 | 0 | 107.7 | R266 N267 L269 G273 D309 W454 F476 T492 N532 | R266-I271 WeakPolarHBondContact CA-O 3.27Å; R266-I271 WeakPolarHBondContact CG-O 3.38Å; N267-I271 PolarHBondContact N-O 3.38Å; N267-I271 WeakPolarHBondContact OD1-CB 3.39Å; N267-I271 PolarHBondContact OD1-N 3.25Å; N267-I271 PolarHBondContact OD1-O 2.97Å; L269-I271 VanDerWaalsContact C-N 3.28Å; L269-I271 HydrophobicContact CB-CD1 4.15Å; L269-I271 HydrophobicContact CB-CG1 4.11Å; L269-I271 HydrophobicContact CD1-CD1 4.01Å; I271-G273 PolarHBondContact O-N 3.27Å; I271-D309 HydrophobicContact CG2-CB 3.77Å; I271-W454 HydrophobicContact CD1-CD2 3.75Å; I271-W454 HydrophobicContact CD1-CE3 4.16Å; I271-W454 HydrophobicContact CD1-CG 4Å; I271-W454 HydrophobicContact CD1-CZ2 4.32Å; I271-W454 HydrophobicContact CG2-CH2 3.9Å; I271-W454 HydrophobicContact CG2-CZ2 4.19Å; I271-W454 HydrophobicContact CG2-CZ3 4.24Å; I271-F476 HydrophobicContact CG2-CZ 4.46Å; I271-T492 HydrophobicContact CD1-CG2 4.04Å; I271-N532 WeakPolarHBondContact CG1-ND2 3.19Å | ||
| 272 | L | 92.2 | Very high | 94.4 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 124.4 | 175.3 | -76.1 | 94.5 | 0 | 0 | 0 | 109.8 | N243 P264 R266 P654 V656 | N243-L272 HydrophobicContact CB-CD2 3.65Å; N243-L272 VanDerWaalsContact CG-CD2 3.42Å; P264-L272 HydrophobicContact CG-CD2 4.18Å; R266-L272 VanDerWaalsContact NH1-CG 3.33Å; L272-P654 HydrophobicContact CD1-CB 4.34Å; L272-V656 HydrophobicContact CD1-CG1 3.77Å; L272-V656 HydrophobicContact CD2-CG1 3.94Å; L272-V656 HydrophobicContact CD2-CG2 4.3Å |
| 273 | G | 92.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -78.7 | -170.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | T265 I271 | T265-G273 PolarHBondContact O-N 2.83Å; T265-G273 WeakPolarHBondContact OG1-CA 3.09Å; I271-G273 PolarHBondContact O-N 3.27Å | ||
| 274 | G | 94.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 164.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T265 P276 Y313 | T265-G274 PolarHBondContact N-O 3.1Å; T265-G274 PolarHBondContact OG1-N 2.81Å; T265-G274 PolarHBondContact OG1-O 3.31Å; G274-P276 WeakPolarHBondContact O-CD 3.18Å; G274-Y313 WeakPolarHBondContact CA-OH 3.27Å |
| 275 | I | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 122.4 | 160.9 | -64.2 | 156.5 | 0 | 0 | 0 | 108.1 | D241 L262 P264 E279 F280 I303 Y313 H483 | D241-I275 HydrophobicContact CB-CD1 4Å; L262-I275 HydrophobicContact CB-CD1 3.69Å; L262-I275 HydrophobicContact CB-CG1 4.04Å; L262-I275 HydrophobicContact CB-CG2 4.04Å; L262-I275 HydrophobicContact CD1-CD1 3.93Å; L262-I275 HydrophobicContact CD2-CG2 4.31Å; L262-I275 HydrophobicContact CG-CD1 4.43Å; P264-I275 HydrophobicContact CB-CG1 4.37Å; I275-E279 HydrophobicContact CG2-CB 3.48Å; I275-E279 VanDerWaalsContact CG2-CB 3.48Å; I275-E279 HydrophobicContact CG2-CG 3.84Å; I275-F280 HydrophobicContact CB-CE2 3.79Å; I275-F280 HydrophobicContact CB-CZ 3.7Å; I275-F280 HydrophobicContact CD1-CE1 4.48Å; I275-F280 HydrophobicContact CD1-CZ 3.97Å; I275-F280 HydrophobicContact CG1-CZ 4.48Å; I275-F280 HydrophobicContact CG2-CD2 4.17Å; I275-F280 HydrophobicContact CG2-CE1 4.23Å; I275-F280 HydrophobicContact CG2-CE2 3.5Å; I275-F280 HydrophobicContact CG2-CZ 3.55Å; I275-I303 HydrophobicContact CD1-CG2 4.29Å; I275-Y313 HydrophobicContact CB-CE1 4.15Å; I275-Y313 WeakPolarHBondContact CG1-OH 3.45Å; I275-Y313 PolarHBondContact N-OH 3.1Å; I275-H483 PolarHBondContact O-NE2 3.29Å |
| 276 | P | 96.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 148.8 | 176.7 | -28.9 | 36.8 | 0 | 0 | 0 | 113.5 | K263 T265 G274 R278 E279 D480 | K263-P276 VanDerWaalsContact O-CD 3.25Å; K263-P276 WeakPolarHBondContact O-CD 3.46Å; T265-P276 HydrophobicContact CG2-CG 3.59Å; G274-P276 WeakPolarHBondContact O-CD 3.18Å; P276-R278 HydrophobicContact CB-CG 3.85Å; P276-R278 PolarHBondContact O-N 3.43Å; P276-R278 VanDerWaalsContact O-N 3.16Å; P276-E279 HydrophobicContact CB-CG 4.31Å; P276-E279 HydrophobicContact CG-CG 4.46Å; P276-E279 WeakPolarHBondContact O-CB 3.38Å; P276-E279 PolarHBondContact O-N 3.32Å; P276-D480 WeakPolarHBondContact CA-OD2 3.16Å |
| 277 | R | 97.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -52.3 | -39.8 | 176.7 | -75.1 | -171 | 168.8 | -175.8 | -2.9 | 112.3 | E279 F280 W317 D480 A481 D482 H483 | R277-E279 PolarHBondContact O-N 3.14Å; R277-E279 VanDerWaalsContact O-N 3.13Å; R277-F280 PolarHBondContact O-N 3.32Å; R277-W317 HydrophobicContact CB-CH2 3.51Å; R277-W317 HydrophobicContact CB-CZ2 3.81Å; R277-W317 HydrophobicContact CB-CZ3 4.15Å; R277-W317 HydrophobicContact CG-CD2 4.46Å; R277-W317 HydrophobicContact CG-CE3 4.24Å; R277-W317 HydrophobicContact CG-CH2 3.59Å; R277-W317 HydrophobicContact CG-CZ2 3.78Å; R277-W317 HydrophobicContact CG-CZ3 3.82Å; R277-W317 WeakPolarHBondContact O-CH2 3.15Å; R277-D480 HydrophobicContact CB-CB 4.48Å; R277-D480 HydrophobicContact CG-CB 3.91Å; R277-D480 PolarHBondContact N-OD2 3.28Å; R277-A481 PolarHBondContact NH1-O 3.2Å; R277-A481 PolarHBondContact NH2-O 3.01Å; R277-A481 VanDerWaalsContact NH2-O 3.15Å; R277-D482 PolarHBondContact NH2-O 2.97Å; R277-D482 IonicContact NH2-OD2 3.36Å; R277-H483 HydrophobicContact CG-CB 4.3Å; R277-H483 WeakPolarHBondContact CG-ND1 3.26Å |
| 278 | R | 96.3 | Very high | 95.5 | Very high | 149 Ų | 149 | 39.2 Ų | 39.2 | 56% | 0.562 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -54.1 | -33 | 178.2 | 63.6 | 174.5 | -177 | 75 | 5.3 | 113.4 | P276 F280 T281 S284 | P276-R278 HydrophobicContact CB-CG 3.85Å; P276-R278 PolarHBondContact O-N 3.43Å; P276-R278 VanDerWaalsContact O-N 3.16Å; R278-F280 VanDerWaalsContact C-N 3.26Å; R278-F280 PolarHBondContact O-N 3.09Å; R278-T281 WeakPolarHBondContact O-CB 3.41Å; R278-T281 PolarHBondContact O-N 3.04Å; R278-T281 PolarHBondContact O-OG1 3.16Å; R278-S284 WeakPolarHBondContact O-CB 3.48Å |
| 279 | E | 97 | Very high | 95.9 | Very high | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -71.7 | -19.3 | -178 | -61.1 | -89.8 | 124 | 0 | 0 | 113.1 | L262 K263 I275 P276 R277 K288 | L262-E279 HydrophobicContact CD2-CB 3.95Å; L262-E279 WeakPolarHBondContact CD2-O 3.38Å; K263-E279 PolarHBondContact N-OE2 2.88Å; I275-E279 HydrophobicContact CG2-CB 3.48Å; I275-E279 VanDerWaalsContact CG2-CB 3.48Å; I275-E279 HydrophobicContact CG2-CG 3.84Å; P276-E279 HydrophobicContact CB-CG 4.31Å; P276-E279 HydrophobicContact CG-CG 4.46Å; P276-E279 WeakPolarHBondContact O-CB 3.38Å; P276-E279 PolarHBondContact O-N 3.32Å; R277-E279 PolarHBondContact O-N 3.14Å; R277-E279 VanDerWaalsContact O-N 3.13Å; E279-K288 VanDerWaalsContact CD-NZ 3.32Å; E279-K288 IonicContact OE1-NZ 3.8Å; E279-K288 IonicContact OE2-NZ 3.57Å; E279-K288 PolarHBondContact OE2-NZ 2.93Å |
| 280 | F | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -92.9 | -3.1 | 177.5 | -60.8 | -72.8 | 0 | 0 | 0 | 113.2 | L262 I275 R277 R278 I303 Y313 W317 I318 L322 | L262-F280 HydrophobicContact CD1-CD1 4.39Å; L262-F280 HydrophobicContact CD1-CE1 3.81Å; I275-F280 HydrophobicContact CB-CE2 3.79Å; I275-F280 HydrophobicContact CB-CZ 3.7Å; I275-F280 HydrophobicContact CD1-CE1 4.48Å; I275-F280 HydrophobicContact CD1-CZ 3.97Å; I275-F280 HydrophobicContact CG1-CZ 4.48Å; I275-F280 HydrophobicContact CG2-CD2 4.17Å; I275-F280 HydrophobicContact CG2-CE1 4.23Å; I275-F280 HydrophobicContact CG2-CE2 3.5Å; I275-F280 HydrophobicContact CG2-CZ 3.55Å; R277-F280 PolarHBondContact O-N 3.32Å; R278-F280 VanDerWaalsContact C-N 3.26Å; R278-F280 PolarHBondContact O-N 3.09Å; F280-I303 HydrophobicContact CD1-CD1 4.5Å; F280-I303 HydrophobicContact CE1-CD1 3.57Å; F280-I303 HydrophobicContact CE1-CG1 4.13Å; F280-I303 HydrophobicContact CZ-CD1 4.16Å; F280-Y313 HydrophobicContact CZ-CE1 4.48Å; F280-W317 HydrophobicContact CB-CH2 3.98Å; F280-W317 HydrophobicContact CB-CZ3 3.94Å; F280-W317 HydrophobicContact CD2-CH2 4.23Å; F280-W317 AromaticContact CD2-CZ3 3.66Å; F280-W317 HydrophobicContact CD2-CZ3 3.66Å; F280-W317 HydrophobicContact CE2-CZ3 4.47Å; F280-W317 HydrophobicContact CG-CZ3 4.07Å; F280-I318 HydrophobicContact CE1-CG2 4.43Å; F280-I318 HydrophobicContact CE2-CD1 4.31Å; F280-I318 HydrophobicContact CE2-CG1 4.39Å; F280-I318 HydrophobicContact CZ-CD1 4.03Å; F280-I318 HydrophobicContact CZ-CG1 4.38Å; F280-L322 HydrophobicContact CD1-CD1 4.31Å; F280-L322 HydrophobicContact CD1-CD2 4.17Å |
| 281 | T | 97.3 | Very high | 96.5 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -74.9 | 151.1 | 178.8 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | R278 D283 S284 I285 | R278-T281 WeakPolarHBondContact O-CB 3.41Å; R278-T281 PolarHBondContact O-N 3.04Å; R278-T281 PolarHBondContact O-OG1 3.16Å; T281-D283 VanDerWaalsContact C-N 3.35Å; T281-D283 PolarHBondContact O-N 2.7Å; T281-S284 PolarHBondContact O-N 3.02Å; T281-S284 WeakPolarHBondContact OG1-CB 3.35Å; T281-S284 PolarHBondContact OG1-N 2.66Å; T281-I285 WeakPolarHBondContact O-CG1 3.46Å; T281-I285 PolarHBondContact O-N 2.86Å |
| 282 | R | 97.5 | Very high | 96.6 | Very high | 126 Ų | 126 | 49.7 Ų | 49.7 | 48% | 0.475 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55 | -50.6 | 177.3 | -173 | 178.7 | -173.5 | 104.9 | 6.8 | 111.6 | S284 I285 E286 W297 D323 | R282-S284 VanDerWaalsContact C-N 3.33Å; R282-S284 PolarHBondContact O-N 3.42Å; R282-I285 PolarHBondContact O-N 3.15Å; R282-I285 VanDerWaalsContact O-N 3.09Å; R282-E286 HydrophobicContact CG-CG 4.24Å; R282-E286 IonicContact CZ-OE1 2.68Å; R282-E286 IonicContact NE-OE1 3.59Å; R282-E286 PolarHBondContact NE-OE1 3.5Å; R282-E286 IonicContact NH2-OE1 3.34Å; R282-E286 WeakPolarHBondContact O-CG 3.48Å; R282-E286 PolarHBondContact O-N 3.3Å; R282-W297 HydrophobicContact CB-CH2 4.46Å; R282-W297 HydrophobicContact CG-CH2 3.79Å; R282-W297 HydrophobicContact CG-CZ3 4.37Å; R282-D323 IonicContact CZ-OD2 2.71Å; R282-D323 IonicContact NH1-OD2 2.97Å; R282-D323 PolarHBondContact NH1-OD2 2.97Å |
| 283 | D | 97.4 | Very high | 96.7 | Very high | 121 Ų | 121 | 55 Ų | 55 | 65% | 0.647 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.2 | -43.8 | -177.7 | -60.8 | -2.2 | 0 | 0 | 0 | 112.2 | T281 I285 E286 E287 | T281-D283 VanDerWaalsContact C-N 3.35Å; T281-D283 PolarHBondContact O-N 2.7Å; D283-I285 VanDerWaalsContact C-N 3.34Å; D283-I285 PolarHBondContact O-N 3.28Å; D283-E286 PolarHBondContact O-N 2.75Å; D283-E287 PolarHBondContact O-N 3.08Å |
| 284 | S | 97.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 61.5 Ų | 61.5 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 178 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | R278 T281 R282 K288 | R278-S284 WeakPolarHBondContact O-CB 3.48Å; T281-S284 PolarHBondContact O-N 3.02Å; T281-S284 WeakPolarHBondContact OG1-CB 3.35Å; T281-S284 PolarHBondContact OG1-N 2.66Å; R282-S284 VanDerWaalsContact C-N 3.33Å; R282-S284 PolarHBondContact O-N 3.42Å; S284-K288 VanDerWaalsContact O-CG 3.3Å; S284-K288 WeakPolarHBondContact O-CG 3.41Å; S284-K288 PolarHBondContact O-N 3.24Å |
| 285 | I | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 178 | -62.7 | 166.4 | 0 | 0 | 0 | 110 | L239 T281 R282 D283 E287 K288 V289 W297 P298 L322 | L239-I285 HydrophobicContact CD2-CD1 3.87Å; L239-I285 HydrophobicContact CD2-CG1 4.24Å; T281-I285 WeakPolarHBondContact O-CG1 3.46Å; T281-I285 PolarHBondContact O-N 2.86Å; R282-I285 PolarHBondContact O-N 3.15Å; R282-I285 VanDerWaalsContact O-N 3.09Å; D283-I285 VanDerWaalsContact C-N 3.34Å; D283-I285 PolarHBondContact O-N 3.28Å; I285-E287 VanDerWaalsContact C-N 3.33Å; I285-E287 PolarHBondContact O-N 3.29Å; I285-K288 PolarHBondContact O-N 3.06Å; I285-V289 HydrophobicContact CG2-CG2 4.15Å; I285-V289 WeakPolarHBondContact O-CB 3.26Å; I285-V289 VanDerWaalsContact O-CG2 3.25Å; I285-V289 WeakPolarHBondContact O-CG2 3.43Å; I285-V289 PolarHBondContact O-N 2.95Å; I285-W297 HydrophobicContact CB-CH2 3.8Å; I285-W297 HydrophobicContact CB-CZ3 3.9Å; I285-W297 HydrophobicContact CD1-CH2 4.34Å; I285-W297 HydrophobicContact CG2-CE3 4.09Å; I285-W297 HydrophobicContact CG2-CH2 3.66Å; I285-W297 HydrophobicContact CG2-CZ2 4.33Å; I285-W297 HydrophobicContact CG2-CZ3 3.51Å; I285-P298 HydrophobicContact CG2-CG 3.85Å; I285-L322 HydrophobicContact CD1-CD1 3.58Å |
| 286 | E | 98 | Very high | 96.9 | Very high | 88 Ų | 88 | 68.1 Ų | 68.1 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 176.7 | -70.9 | -175.4 | 176 | 0 | 0 | 111.6 | R282 D283 V289 A290 W297 | R282-E286 HydrophobicContact CG-CG 4.24Å; R282-E286 IonicContact CZ-OE1 2.68Å; R282-E286 IonicContact NE-OE1 3.59Å; R282-E286 PolarHBondContact NE-OE1 3.5Å; R282-E286 IonicContact NH2-OE1 3.34Å; R282-E286 WeakPolarHBondContact O-CG 3.48Å; R282-E286 PolarHBondContact O-N 3.3Å; D283-E286 PolarHBondContact O-N 2.75Å; E286-V289 PolarHBondContact O-N 2.91Å; E286-A290 WeakPolarHBondContact O-CB 3.33Å; E286-A290 PolarHBondContact O-N 3.26Å; E286-W297 HydrophobicContact CG-CE3 4.32Å; E286-W297 HydrophobicContact CG-CH2 4.41Å; E286-W297 HydrophobicContact CG-CZ3 3.57Å |
| 287 | E | 97.7 | Very high | 97 | Very high | 145 Ų | 145 | 71.1 Ų | 71.1 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.8 | -47.4 | 175.9 | -175 | -179.3 | -176.4 | 0 | 0 | 112 | D283 I285 A290 A291 | D283-E287 PolarHBondContact O-N 3.08Å; I285-E287 VanDerWaalsContact C-N 3.33Å; I285-E287 PolarHBondContact O-N 3.29Å; E287-A290 PolarHBondContact O-N 2.98Å; E287-A291 WeakPolarHBondContact O-CB 3.37Å; E287-A291 PolarHBondContact O-N 2.89Å |
| 288 | K | 97.3 | Very high | 97 | Very high | 35 Ų | 35 | 68.5 Ų | 68.5 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66 | -39.3 | 179.2 | -70.2 | 171.7 | -177.7 | -177.8 | 0 | 112.9 | V260 W261 E279 S284 I285 A291 T292 | V260-K288 HydrophobicContact CG1-CB 3.67Å; V260-K288 HydrophobicContact CG1-CD 4.02Å; V260-K288 HydrophobicContact CG1-CG 4.48Å; W261-K288 PolarHBondContact O-NZ 3.2Å; E279-K288 VanDerWaalsContact CD-NZ 3.32Å; E279-K288 IonicContact OE1-NZ 3.8Å; E279-K288 IonicContact OE2-NZ 3.57Å; E279-K288 PolarHBondContact OE2-NZ 2.93Å; S284-K288 VanDerWaalsContact O-CG 3.3Å; S284-K288 WeakPolarHBondContact O-CG 3.41Å; S284-K288 PolarHBondContact O-N 3.24Å; I285-K288 PolarHBondContact O-N 3.06Å; K288-A291 PolarHBondContact O-N 3.4Å; K288-T292 WeakPolarHBondContact O-CB 3.19Å; K288-T292 PolarHBondContact O-N 3.38Å; K288-T292 VanDerWaalsContact O-N 3.11Å; K288-T292 PolarHBondContact O-OG1 3.1Å |
| 289 | V | 97.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.3 | 169 | 0 | 0 | 0 | 0 | 109.6 | I285 E286 A291 T292 A295 Q296 | I285-V289 HydrophobicContact CG2-CG2 4.15Å; I285-V289 WeakPolarHBondContact O-CB 3.26Å; I285-V289 VanDerWaalsContact O-CG2 3.25Å; I285-V289 WeakPolarHBondContact O-CG2 3.43Å; I285-V289 PolarHBondContact O-N 2.95Å; E286-V289 PolarHBondContact O-N 2.91Å; V289-A291 VanDerWaalsContact C-N 3.26Å; V289-A291 PolarHBondContact O-N 3.08Å; V289-T292 PolarHBondContact O-N 3.48Å; V289-T292 VanDerWaalsContact O-N 3.11Å; V289-A295 HydrophobicContact CB-CB 4.47Å; V289-A295 HydrophobicContact CG1-CB 4.04Å; V289-Q296 WeakPolarHBondContact CG2-O 3.24Å |
| 290 | A | 97.5 | Very high | 97.2 | Very high | 91 Ų | 91 | 63.5 Ų | 63.5 | 75% | 0.752 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.6 | -32.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E286 E287 T292 | E286-A290 WeakPolarHBondContact O-CB 3.33Å; E286-A290 PolarHBondContact O-N 3.26Å; E287-A290 PolarHBondContact O-N 2.98Å; A290-T292 VanDerWaalsContact C-N 3.35Å |
| 291 | A | 95.8 | Very high | 97.3 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 69% | 0.686 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -80.3 | -11.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E287 K288 V289 | E287-A291 WeakPolarHBondContact O-CB 3.37Å; E287-A291 PolarHBondContact O-N 2.89Å; K288-A291 PolarHBondContact O-N 3.4Å; V289-A291 VanDerWaalsContact C-N 3.26Å; V289-A291 PolarHBondContact O-N 3.08Å |
| 292 | T | 96.1 | Very high | 97.3 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -108 | 118.7 | -174.4 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | V258 V260 K288 V289 A290 Q294 A295 M616 | V258-T292 HydrophobicContact CG1-CG2 3.7Å; V260-T292 HydrophobicContact CG2-CG2 4.38Å; K288-T292 WeakPolarHBondContact O-CB 3.19Å; K288-T292 PolarHBondContact O-N 3.38Å; K288-T292 VanDerWaalsContact O-N 3.11Å; K288-T292 PolarHBondContact O-OG1 3.1Å; V289-T292 PolarHBondContact O-N 3.48Å; V289-T292 VanDerWaalsContact O-N 3.11Å; A290-T292 VanDerWaalsContact C-N 3.35Å; T292-Q294 PolarHBondContact O-N 3.47Å; T292-A295 HydrophobicContact CG2-CB 3.92Å; T292-A295 VanDerWaalsContact O-CB 3.32Å; T292-A295 WeakPolarHBondContact O-CB 3.41Å; T292-A295 PolarHBondContact O-N 3.4Å; T292-A295 VanDerWaalsContact O-N 3.09Å; T292-M616 HydrophobicContact CG2-CE 3.67Å |
| 293 | T | 93.4 | Very high | 97.4 | Very high | 118 Ų | 118 | 55.1 Ų | 55.1 | 72% | 0.724 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 131.1 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | A295 | T293-A295 PolarHBondContact O-N 3.47Š|
| 294 | Q | 93.7 | Very high | 97.4 | Very high | 136 Ų | 136 | 50 Ų | 50 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 2.6 | -178.3 | -63.2 | 172.8 | -17.7 | 0 | 0 | 116 | V258 T292 | V258-Q294 HydrophobicContact CG2-CB 4.19Å; T292-Q294 PolarHBondContact O-N 3.47Å |
| 295 | A | 97.1 | Very high | 97.5 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | trans | -68.9 | 147 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T237 V258 V260 V289 T292 T293 | T237-A295 HydrophobicContact CG2-CB 4.22Å; T237-A295 WeakPolarHBondContact OG1-CA 3.44Å; V258-A295 HydrophobicContact CG1-CB 4.06Å; V260-A295 HydrophobicContact CG2-CB 4.21Å; V289-A295 HydrophobicContact CB-CB 4.47Å; V289-A295 HydrophobicContact CG1-CB 4.04Å; T292-A295 HydrophobicContact CG2-CB 3.92Å; T292-A295 VanDerWaalsContact O-CB 3.32Å; T292-A295 WeakPolarHBondContact O-CB 3.41Å; T292-A295 PolarHBondContact O-N 3.4Å; T292-A295 VanDerWaalsContact O-N 3.09Å; T293-A295 PolarHBondContact O-N 3.47Å | ||
| 296 | Q | 97.2 | Very high | 97.5 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 58% | 0.575 | 28% | 0.275 | S | S | * | . | trans | -124.3 | 179 | 172.3 | -61 | -179.4 | -1.9 | 0 | 0 | 108.2 | T237 V289 | T237-Q296 VanDerWaalsContact CB-O 3.3Å; T237-Q296 WeakPolarHBondContact CB-O 3.26Å; T237-Q296 WeakPolarHBondContact CG2-O 3.42Å; T237-Q296 PolarHBondContact OG1-N 2.9Å; T237-Q296 PolarHBondContact OG1-O 3.15Å; V289-Q296 WeakPolarHBondContact CG2-O 3.24Å | ||
| 297 | W | 98.4 | Very high | 97.4 | Very high | 76 Ų | 76 | 45 Ų | 45 | 29% | 0.288 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -57.6 | 132.3 | 172.1 | -169 | -102.1 | 0 | 0 | 0 | 110.3 | R282 I285 E286 V299 D323 | R282-W297 HydrophobicContact CB-CH2 4.46Å; R282-W297 HydrophobicContact CG-CH2 3.79Å; R282-W297 HydrophobicContact CG-CZ3 4.37Å; I285-W297 HydrophobicContact CB-CH2 3.8Å; I285-W297 HydrophobicContact CB-CZ3 3.9Å; I285-W297 HydrophobicContact CD1-CH2 4.34Å; I285-W297 HydrophobicContact CG2-CE3 4.09Å; I285-W297 HydrophobicContact CG2-CH2 3.66Å; I285-W297 HydrophobicContact CG2-CZ2 4.33Å; I285-W297 HydrophobicContact CG2-CZ3 3.51Å; E286-W297 HydrophobicContact CG-CE3 4.32Å; E286-W297 HydrophobicContact CG-CH2 4.41Å; E286-W297 HydrophobicContact CG-CZ3 3.57Å; W297-V299 PolarHBondContact O-N 3.15Å; W297-D323 HydrophobicContact CZ2-CB 4.17Å; W297-D323 WeakPolarHBondContact CZ2-O 3.46Å; W297-D323 PolarHBondContact NE1-O 3.11Å |
| 298 | P | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | trans | -61.9 | 135.4 | -176.1 | -23.3 | 33.5 | 0 | 0 | 0 | 112.7 | T237 L239 I285 V324 | T237-P298 HydrophobicContact CG2-CG 4.26Å; T237-P298 WeakPolarHBondContact O-CA 3.48Å; L239-P298 HydrophobicContact CB-CB 3.8Å; L239-P298 HydrophobicContact CB-CG 3.96Å; I285-P298 HydrophobicContact CG2-CG 3.85Å; P298-V324 HydrophobicContact CB-CG2 4.21Å | ||
| 299 | V | 98.5 | Very high | 97.3 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 30% | 0.303 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -94.6 | -22.4 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | T237 W297 P325 | T237-V299 PolarHBondContact O-N 3.42Å; W297-V299 PolarHBondContact O-N 3.15Å; V299-P325 WeakPolarHBondContact O-CG 3.41Å |
| 300 | H | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.8 | -179 | -173.4 | 55.6 | 0 | 0 | 0 | 110.6 | A231 A232 L238 L239 S326 H328 | A231-H300 HydrophobicContact CB-CB 4.01Å; A231-H300 WeakPolarHBondContact CB-ND1 3.45Å; A232-H300 HydrophobicContact CB-CB 4.44Å; L238-H300 WeakPolarHBondContact CA-O 3.48Å; L238-H300 HydrophobicContact CG-CB 4.4Å; L239-H300 PolarHBondContact N-O 2.96Å; H300-S326 CarbonylContact C-O 3.54Å; H300-S326 WeakPolarHBondContact CA-O 3.43Å; H300-S326 PolarHBondContact CE1-OG 2.94Å; H300-S326 WeakPolarHBondContact ND1-CB 3.4Å; H300-S326 PolarHBondContact ND1-O 2.94Å; H300-S326 PolarHBondContact ND1-OG 2.84Å; H300-H328 VanDerWaalsContact CE1-CB 3.41Å; H300-H328 WeakPolarHBondContact CE1-CB 3.18Å |
| 301 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L239 L322 V324 S326 H328 | L239-A301 HydrophobicContact CB-CB 4.15Å; L239-A301 HydrophobicContact CD2-CB 4.34Å; L239-A301 CarbonylContact O-C 3.49Å; L239-A301 WeakPolarHBondContact O-CA 3.43Å; A301-L322 HydrophobicContact CB-CD2 3.71Å; A301-V324 HydrophobicContact CB-CB 4.36Å; A301-V324 HydrophobicContact CB-CG1 4.09Å; A301-V324 HydrophobicContact CB-CG2 4.42Å; A301-S326 PolarHBondContact N-O 2.63Å; A301-H328 PolarHBondContact O-N 3.29Å |
| 302 | V | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 124.1 | 177.7 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | L238 L239 D241 L248 H328 | L238-V302 HydrophobicContact CD2-CG2 4.05Å; L239-V302 PolarHBondContact O-N 3.29Å; D241-V302 PolarHBondContact N-O 3.23Å; L248-V302 HydrophobicContact CD1-CG1 3.57Å; L248-V302 HydrophobicContact CD2-CG1 3.88Å; L248-V302 HydrophobicContact CD2-CG2 4.45Å; L248-V302 HydrophobicContact CG-CG1 4.39Å; V302-H328 CarbonylContact C-O 3.57Å; V302-H328 VanDerWaalsContact CA-O 3.31Å; V302-H328 WeakPolarHBondContact CA-O 3.4Å; V302-H328 HydrophobicContact CG2-CB 4.27Å |
| 303 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.9 | -176.7 | -58.6 | 162.1 | 0 | 0 | 0 | 109.3 | L262 I275 F280 N305 Y313 I318 L322 I327 H328 F329 D330 | L262-I303 HydrophobicContact CD1-CG1 4.3Å; I275-I303 HydrophobicContact CD1-CG2 4.29Å; F280-I303 HydrophobicContact CD1-CD1 4.5Å; F280-I303 HydrophobicContact CE1-CD1 3.57Å; F280-I303 HydrophobicContact CE1-CG1 4.13Å; F280-I303 HydrophobicContact CZ-CD1 4.16Å; I303-N305 PolarHBondContact O-N 3.08Å; I303-Y313 HydrophobicContact CG2-CD2 4.26Å; I303-Y313 HydrophobicContact CG2-CE2 3.98Å; I303-I318 HydrophobicContact CD1-CD1 4.39Å; I303-I318 HydrophobicContact CD1-CG2 3.7Å; I303-L322 HydrophobicContact CD1-CD2 4.23Å; I303-I327 HydrophobicContact CD1-CG2 4.31Å; I303-H328 PolarHBondContact N-O 3.41Å; I303-F329 HydrophobicContact CB-CD1 4.07Å; I303-F329 HydrophobicContact CB-CE1 4.25Å; I303-F329 HydrophobicContact CD1-CE1 4.02Å; I303-F329 HydrophobicContact CG2-CD1 4.29Å; I303-F329 HydrophobicContact CG2-CE1 4.36Å; I303-F329 CarbonylContact O-C 3.59Å; I303-F329 VanDerWaalsContact O-CA 3.29Å; I303-F329 WeakPolarHBondContact O-CA 3.46Å; I303-D330 PolarHBondContact O-N 3.33Å |
| 304 | T | 98.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 7% | 0.074 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 110.1 | 176.2 | -57 | 0 | 0 | 0 | 0 | 109.6 | D241 N243 Y313 | D241-T304 PolarHBondContact OD2-N 3.4Å; N243-T304 PolarHBondContact O-OG1 2.62Å; T304-Y313 WeakPolarHBondContact O-CE2 3.27Å |
| 305 | N | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -134.1 | 116.3 | -178.7 | 178.9 | 44 | 0 | 0 | 0 | 112.1 | I303 L312 Y313 T315 F329 D330 S331 V334 K346 | I303-N305 PolarHBondContact O-N 3.08Å; N305-L312 WeakPolarHBondContact OD1-CA 3.3Å; N305-Y313 HydrophobicContact CB-CD2 3.96Å; N305-Y313 PolarHBondContact OD1-N 3.33Å; N305-T315 VanDerWaalsContact ND2-CG2 3.33Å; N305-T315 WeakPolarHBondContact ND2-CG2 3.31Å; N305-F329 HydrophobicContact CB-CB 4.49Å; N305-F329 HydrophobicContact CB-CD1 3.88Å; N305-D330 PolarHBondContact N-O 3.15Å; N305-S331 WeakPolarHBondContact O-CA 3.33Å; N305-S331 WeakPolarHBondContact O-CB 3.48Å; N305-S331 PolarHBondContact O-OG 3.35Å; N305-V334 WeakPolarHBondContact O-CG2 3.45Å; N305-K346 PolarHBondContact ND2-O 3.34Å |
| 306 | S | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | S | Bend | cis | -72.9 | 169.6 | -2.2 | 71.1 | 0 | 0 | 0 | 0 | 113 | L311 V334 | S306-L311 CarbonylContact C-O 3.07Å; S306-L311 VanDerWaalsContact CA-O 3.27Å; S306-L311 WeakPolarHBondContact CA-O 2.97Å; S306-L311 VanDerWaalsContact CB-O 3.28Å; S306-L311 WeakPolarHBondContact CB-O 3.29Å; S306-V334 VanDerWaalsContact OG-CG1 3.23Å; S306-V334 WeakPolarHBondContact OG-CG1 3.4Å |
| 307 | T | 97 | Very high | 98 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -59.8 | 164.9 | 158.8 | 74 | 0 | 0 | 0 | 0 | 110.7 | D309 G310 L311 | T307-D309 VanDerWaalsContact C-N 3.3Å; T307-D309 PolarHBondContact O-N 2.86Å; T307-G310 PolarHBondContact O-N 3.32Å; T307-G310 VanDerWaalsContact O-N 3.08Å; T307-L311 HydrophobicContact CG2-CB 4.07Å; T307-L311 PolarHBondContact N-O 2.83Å; T307-L311 WeakPolarHBondContact OG1-CB 3.41Å; T307-L311 PolarHBondContact OG1-N 2.8Å; T307-L311 VanDerWaalsContact OG1-N 3.08Å | ||
| 308 | Y | 95.5 | Very high | 98 | Very high | 69 Ų | 69 | 13.3 Ų | 13.3 | 27% | 0.271 | 6% | 0.064 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -44.3 | -179.7 | -159.5 | -76.3 | 0 | 0 | 0 | 112.3 | G310 W333 E526 K527 L534 | Y308-G310 PolarHBondContact O-N 2.83Å; Y308-W333 AromaticContact CD2-CE2 3.73Å; Y308-W333 AromaticContact CD2-CZ2 3.79Å; Y308-W333 HydrophobicContact CD2-CZ2 3.79Å; Y308-W333 AromaticContact CD2-NE1 3.42Å; Y308-W333 HydrophobicContact CE1-CZ2 4.42Å; Y308-W333 AromaticContact CE2-CE2 3.66Å; Y308-W333 HydrophobicContact CE2-CH2 4.08Å; Y308-W333 AromaticContact CE2-CZ2 3.2Å; Y308-W333 HydrophobicContact CE2-CZ2 3.2Å; Y308-W333 AromaticContact CE2-NE1 3.8Å; Y308-W333 AromaticContact CZ-CH2 3.96Å; Y308-W333 AromaticContact CZ-CZ2 3.55Å; Y308-E526 HydrophobicContact CE1-CG 3.81Å; Y308-E526 PolarHBondContact OH-OE1 2.8Å; Y308-K527 HydrophobicContact CD1-CB 4.09Å; Y308-K527 HydrophobicContact CD1-CD 3.55Å; Y308-K527 HydrophobicContact CD1-CG 4.48Å; Y308-K527 HydrophobicContact CE1-CB 3.53Å; Y308-K527 HydrophobicContact CE1-CD 3.82Å; Y308-K527 HydrophobicContact CE1-CG 4.31Å; Y308-K527 HydrophobicContact CG-CD 4.24Å; Y308-L534 HydrophobicContact CD1-CD2 3.47Å; Y308-L534 VanDerWaalsContact CD1-CD2 3.47Å; Y308-L534 HydrophobicContact CE1-CD2 3.62Å; Y308-L534 WeakPolarHBondContact O-CD2 3.21Å |
| 309 | D | 96.3 | Very high | 98 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 6.5 | -178.9 | -60.7 | -60.5 | 0 | 0 | 0 | 113.3 | I271 T307 K527 | I271-D309 HydrophobicContact CG2-CB 3.77Å; T307-D309 VanDerWaalsContact C-N 3.3Å; T307-D309 PolarHBondContact O-N 2.86Å; D309-K527 IonicContact OD1-NZ 2.94Å; D309-K527 PolarHBondContact OD1-NZ 2.86Å; D309-K527 IonicContact OD2-NZ 3.84Å; D309-K527 PolarHBondContact OD2-NZ 2.89Å |
| 310 | G | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | 93.4 | 27 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | T307 Y308 D487 | T307-G310 PolarHBondContact O-N 3.32Å; T307-G310 VanDerWaalsContact O-N 3.08Å; Y308-G310 PolarHBondContact O-N 2.83Å; G310-D487 VanDerWaalsContact O-CB 3.32Å; G310-D487 WeakPolarHBondContact O-CB 3.37Å; G310-D487 PolarHBondContact O-N 3.36Å | ||
| 311 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.4 | 170.6 | -62.6 | 178.8 | 0 | 0 | 0 | 111 | S306 T307 W454 V467 F476 M484 F485 L486 | S306-L311 CarbonylContact C-O 3.07Å; S306-L311 VanDerWaalsContact CA-O 3.27Å; S306-L311 WeakPolarHBondContact CA-O 2.97Å; S306-L311 VanDerWaalsContact CB-O 3.28Å; S306-L311 WeakPolarHBondContact CB-O 3.29Å; T307-L311 HydrophobicContact CG2-CB 4.07Å; T307-L311 PolarHBondContact N-O 2.83Å; T307-L311 WeakPolarHBondContact OG1-CB 3.41Å; T307-L311 PolarHBondContact OG1-N 2.8Å; T307-L311 VanDerWaalsContact OG1-N 3.08Å; L311-W454 HydrophobicContact CD1-CH2 4.05Å; L311-W454 HydrophobicContact CD2-CH2 3.78Å; L311-W454 HydrophobicContact CD2-CZ3 4.09Å; L311-W454 HydrophobicContact CG-CH2 4.05Å; L311-W454 HydrophobicContact CG-CZ3 4.42Å; L311-V467 HydrophobicContact CD2-CG2 3.81Å; L311-F476 HydrophobicContact CD1-CE2 3.78Å; L311-F476 HydrophobicContact CD1-CZ 3.79Å; L311-M484 HydrophobicContact CB-CE 3.59Å; L311-F485 CarbonylContact C-O 3.55Å; L311-F485 WeakPolarHBondContact CA-O 3.4Å; L311-L486 HydrophobicContact CD2-CB 4.31Å; L311-L486 HydrophobicContact CD2-CD1 4.31Å |
| 312 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 144.7 | 176 | -69 | 155.9 | 0 | 0 | 0 | 110.6 | N305 V334 T337 Y343 K346 C464 M484 F485 D487 | N305-L312 WeakPolarHBondContact OD1-CA 3.3Å; L312-V334 HydrophobicContact CD2-CG1 4.06Å; L312-V334 HydrophobicContact CD2-CG2 4.45Å; L312-T337 HydrophobicContact CD2-CG2 4.45Å; L312-Y343 HydrophobicContact CD1-CD1 3.67Å; L312-Y343 HydrophobicContact CD1-CE1 3.84Å; L312-K346 HydrophobicContact CB-CB 4.16Å; L312-K346 HydrophobicContact CD1-CB 4.49Å; L312-K346 HydrophobicContact CD1-CD 4.41Å; L312-C464 HydrophobicContact CD1-CB 4.45Å; L312-M484 CarbonylContact O-C 3.57Å; L312-M484 VanDerWaalsContact O-CA 3.3Å; L312-M484 WeakPolarHBondContact O-CA 3.36Å; L312-F485 HydrophobicContact CB-CB 4.49Å; L312-F485 PolarHBondContact N-O 3.01Å; L312-F485 PolarHBondContact O-N 3.44Å; L312-D487 HydrophobicContact CD1-CB 3.93Å; L312-D487 HydrophobicContact CG-CB 4.46Å |
| 313 | Y | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 155.1 | 174.8 | -71.2 | -92.4 | 0 | 0 | 0 | 112.5 | G274 I275 F280 I303 T304 N305 T315 I318 K346 H483 M484 | G274-Y313 WeakPolarHBondContact CA-OH 3.27Å; I275-Y313 HydrophobicContact CB-CE1 4.15Å; I275-Y313 WeakPolarHBondContact CG1-OH 3.45Å; I275-Y313 PolarHBondContact N-OH 3.1Å; F280-Y313 HydrophobicContact CZ-CE1 4.48Å; I303-Y313 HydrophobicContact CG2-CD2 4.26Å; I303-Y313 HydrophobicContact CG2-CE2 3.98Å; T304-Y313 WeakPolarHBondContact O-CE2 3.27Å; N305-Y313 HydrophobicContact CB-CD2 3.96Å; N305-Y313 PolarHBondContact OD1-N 3.33Å; Y313-T315 VanDerWaalsContact C-N 3.27Å; Y313-T315 PolarHBondContact O-N 2.94Å; Y313-I318 HydrophobicContact CD1-CD1 3.77Å; Y313-I318 HydrophobicContact CG-CD1 3.89Å; Y313-K346 VanDerWaalsContact O-CA 3.31Å; Y313-K346 WeakPolarHBondContact O-CA 3.45Å; Y313-H483 CarbonylContact C-O 3.4Å; Y313-H483 WeakPolarHBondContact CA-O 3.37Å; Y313-H483 AromaticContact CD1-CE1 4Å; Y313-H483 AromaticContact CD1-NE2 3.97Å; Y313-M484 HydrophobicContact CD1-CE 3.95Å; Y313-M484 HydrophobicContact CD1-SD 3.26Å; Y313-M484 WeakPolarHBondContact CD1-SD 3.45Å; Y313-M484 HydrophobicContact CD2-CE 3.98Å; Y313-M484 HydrophobicContact CD2-SD 4.35Å; Y313-M484 HydrophobicContact CE1-CE 3.92Å; Y313-M484 HydrophobicContact CE1-SD 3.43Å; Y313-M484 WeakPolarHBondContact CE1-SD 3.35Å; Y313-M484 HydrophobicContact CE2-CE 3.93Å; Y313-M484 HydrophobicContact CE2-SD 4.48Å; Y313-M484 HydrophobicContact CG-CE 4Å; Y313-M484 HydrophobicContact CG-SD 3.79Å |
| 314 | N | 98.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 24 Ų | 24 | 12% | 0.118 | 12% | 0.117 | C | C | . | . | trans | -69.6 | 85.6 | 157.3 | -170.7 | -25.2 | 0 | 0 | 0 | 109.3 | D316 W317 I318 D482 H483 F485 | N314-D316 VanDerWaalsContact C-N 3.28Å; N314-D316 PolarHBondContact O-N 3.22Å; N314-D316 PolarHBondContact OD1-N 3.11Å; N314-W317 HydrophobicContact CB-CB 4.14Å; N314-W317 PolarHBondContact O-N 2.66Å; N314-W317 PolarHBondContact OD1-N 2.77Å; N314-I318 WeakPolarHBondContact O-CG1 3.45Å; N314-I318 PolarHBondContact O-N 2.85Å; N314-D482 WeakPolarHBondContact CB-O 3.46Å; N314-D482 PolarHBondContact ND2-O 2.73Å; N314-D482 PolarHBondContact ND2-OD2 3.39Å; N314-H483 PolarHBondContact N-O 3.33Å; N314-F485 HydrophobicContact CB-CE2 3.96Å | ||
| 315 | T | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69 | -27.9 | -175.8 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | N305 Y313 I318 K319 F329 G345 S347 | N305-T315 VanDerWaalsContact ND2-CG2 3.33Å; N305-T315 WeakPolarHBondContact ND2-CG2 3.31Å; Y313-T315 VanDerWaalsContact C-N 3.27Å; Y313-T315 PolarHBondContact O-N 2.94Å; T315-I318 PolarHBondContact O-N 3.48Å; T315-K319 WeakPolarHBondContact O-CB 3.28Å; T315-K319 WeakPolarHBondContact O-CD 3.27Å; T315-K319 WeakPolarHBondContact O-CG 3.47Å; T315-K319 PolarHBondContact O-N 3.1Å; T315-K319 PolarHBondContact OG1-NZ 2.71Å; T315-F329 HydrophobicContact CG2-CD1 4.38Å; T315-F329 HydrophobicContact CG2-CE1 3.92Å; T315-F329 HydrophobicContact CG2-CZ 4.08Å; T315-G345 PolarHBondContact N-O 3.35Å; T315-G345 PolarHBondContact OG1-O 2.96Å; T315-S347 PolarHBondContact OG1-N 2.68Å; T315-S347 PolarHBondContact OG1-O 3.19Å |
| 316 | D | 96.9 | Very high | 97.7 | Very high | 65 Ų | 65 | 27 Ų | 27 | 35% | 0.348 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.6 | -67.8 | -11.4 | 0 | 0 | 0 | 110.3 | N314 K319 Q320 G345 | N314-D316 VanDerWaalsContact C-N 3.28Å; N314-D316 PolarHBondContact O-N 3.22Å; N314-D316 PolarHBondContact OD1-N 3.11Å; D316-K319 PolarHBondContact O-N 3.05Å; D316-K319 IonicContact OD1-NZ 3.17Å; D316-K319 PolarHBondContact OD1-NZ 2.9Å; D316-Q320 VanDerWaalsContact O-CG 3.31Å; D316-Q320 WeakPolarHBondContact O-CG 3.49Å; D316-Q320 PolarHBondContact O-N 3.15Å; D316-Q320 VanDerWaalsContact O-N 3.12Å; D316-G345 PolarHBondContact N-O 2.95Å; D316-G345 VanDerWaalsContact OD2-CA 3.22Å; D316-G345 WeakPolarHBondContact OD2-CA 3.38Å |
| 317 | W | 97.3 | Very high | 97.7 | Very high | 57 Ų | 57 | 27 Ų | 27 | 22% | 0.216 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 173.1 | -178.5 | 87.2 | 0 | 0 | 0 | 112.4 | R277 F280 N314 Q320 T321 | R277-W317 HydrophobicContact CB-CH2 3.51Å; R277-W317 HydrophobicContact CB-CZ2 3.81Å; R277-W317 HydrophobicContact CB-CZ3 4.15Å; R277-W317 HydrophobicContact CG-CD2 4.46Å; R277-W317 HydrophobicContact CG-CE3 4.24Å; R277-W317 HydrophobicContact CG-CH2 3.59Å; R277-W317 HydrophobicContact CG-CZ2 3.78Å; R277-W317 HydrophobicContact CG-CZ3 3.82Å; R277-W317 WeakPolarHBondContact O-CH2 3.15Å; F280-W317 HydrophobicContact CB-CH2 3.98Å; F280-W317 HydrophobicContact CB-CZ3 3.94Å; F280-W317 HydrophobicContact CD2-CH2 4.23Å; F280-W317 AromaticContact CD2-CZ3 3.66Å; F280-W317 HydrophobicContact CD2-CZ3 3.66Å; F280-W317 HydrophobicContact CE2-CZ3 4.47Å; F280-W317 HydrophobicContact CG-CZ3 4.07Å; N314-W317 HydrophobicContact CB-CB 4.14Å; N314-W317 PolarHBondContact O-N 2.66Å; N314-W317 PolarHBondContact OD1-N 2.77Å; W317-Q320 PolarHBondContact O-N 3.04Å; W317-T321 HydrophobicContact CH2-CG2 3.9Å; W317-T321 HydrophobicContact CZ2-CG2 3.73Å; W317-T321 PolarHBondContact NE1-OG1 3.33Å; W317-T321 VanDerWaalsContact O-CB 3.26Å; W317-T321 WeakPolarHBondContact O-CB 3.41Å; W317-T321 PolarHBondContact O-N 2.84Å; W317-T321 PolarHBondContact O-OG1 3.36Å |
| 318 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 177.8 | -66.1 | 173.4 | 0 | 0 | 0 | 110.7 | F280 I303 Y313 N314 T315 Q320 T321 L322 F329 | F280-I318 HydrophobicContact CE1-CG2 4.43Å; F280-I318 HydrophobicContact CE2-CD1 4.31Å; F280-I318 HydrophobicContact CE2-CG1 4.39Å; F280-I318 HydrophobicContact CZ-CD1 4.03Å; F280-I318 HydrophobicContact CZ-CG1 4.38Å; I303-I318 HydrophobicContact CD1-CD1 4.39Å; I303-I318 HydrophobicContact CD1-CG2 3.7Å; Y313-I318 HydrophobicContact CD1-CD1 3.77Å; Y313-I318 HydrophobicContact CG-CD1 3.89Å; N314-I318 WeakPolarHBondContact O-CG1 3.45Å; N314-I318 PolarHBondContact O-N 2.85Å; T315-I318 PolarHBondContact O-N 3.48Å; I318-Q320 PolarHBondContact O-N 3.34Å; I318-T321 PolarHBondContact O-N 3Å; I318-L322 HydrophobicContact CG2-CB 4.28Å; I318-L322 HydrophobicContact CG2-CD2 4.27Å; I318-L322 VanDerWaalsContact O-CB 3.28Å; I318-L322 WeakPolarHBondContact O-CB 3.35Å; I318-L322 PolarHBondContact O-N 2.65Å; I318-F329 HydrophobicContact CB-CZ 4.43Å; I318-F329 HydrophobicContact CD1-CE1 4.27Å; I318-F329 HydrophobicContact CG2-CE1 4.36Å; I318-F329 HydrophobicContact CG2-CZ 4.04Å |
| 319 | K | 98 | Very high | 97.9 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.7 | -38 | 179.3 | -75.4 | 165.6 | -160.7 | 160 | 0 | 112.2 | T315 D316 F329 S347 G348 S350 V354 K357 I359 | T315-K319 WeakPolarHBondContact O-CB 3.28Å; T315-K319 WeakPolarHBondContact O-CD 3.27Å; T315-K319 WeakPolarHBondContact O-CG 3.47Å; T315-K319 PolarHBondContact O-N 3.1Å; T315-K319 PolarHBondContact OG1-NZ 2.71Å; D316-K319 PolarHBondContact O-N 3.05Å; D316-K319 IonicContact OD1-NZ 3.17Å; D316-K319 PolarHBondContact OD1-NZ 2.9Å; K319-F329 HydrophobicContact CG-CE2 4.47Å; K319-S347 PolarHBondContact NZ-O 3.03Å; K319-G348 WeakPolarHBondContact CE-O 3.23Å; K319-G348 PolarHBondContact NZ-O 3.36Å; K319-G348 VanDerWaalsContact NZ-O 3.13Å; K319-S350 PolarHBondContact NZ-O 2.93Å; K319-V354 HydrophobicContact CB-CG2 4.07Å; K319-V354 HydrophobicContact CD-CG2 4.34Å; K319-V354 HydrophobicContact CG-CG2 4.48Å; K319-K357 PolarHBondContact O-NZ 2.79Å; K319-I359 HydrophobicContact CG-CD1 4.1Å |
| 320 | Q | 96.1 | Very high | 98 | Very high | 141 Ų | 141 | 24 Ų | 24 | 66% | 0.659 | 13% | 0.125 | S | C | * | . | H | α-helix | trans | -78.1 | -39.9 | 178.2 | -65.6 | -62.8 | -16.6 | 0 | 0 | 112.5 | D316 W317 I318 | D316-Q320 VanDerWaalsContact O-CG 3.31Å; D316-Q320 WeakPolarHBondContact O-CG 3.49Å; D316-Q320 PolarHBondContact O-N 3.15Å; D316-Q320 VanDerWaalsContact O-N 3.12Å; W317-Q320 PolarHBondContact O-N 3.04Å; I318-Q320 PolarHBondContact O-N 3.34Å |
| 321 | T | 96.7 | Very high | 98.1 | Very high | 52 Ų | 52 | 24 Ų | 24 | 32% | 0.319 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -86.2 | -40.9 | -170.3 | -53 | 0 | 0 | 0 | 0 | 113.7 | W317 I318 D323 | W317-T321 HydrophobicContact CH2-CG2 3.9Å; W317-T321 HydrophobicContact CZ2-CG2 3.73Å; W317-T321 PolarHBondContact NE1-OG1 3.33Å; W317-T321 VanDerWaalsContact O-CB 3.26Å; W317-T321 WeakPolarHBondContact O-CB 3.41Å; W317-T321 PolarHBondContact O-N 2.84Å; W317-T321 PolarHBondContact O-OG1 3.36Å; I318-T321 PolarHBondContact O-N 3Å; T321-D323 PolarHBondContact O-N 2.87Å |
| 322 | L | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -74.8 | 107.6 | -173.9 | 179.7 | 58.9 | 0 | 0 | 0 | 110.7 | L239 F280 I285 A301 I303 I318 V324 I327 K357 | L239-L322 HydrophobicContact CD2-CD1 3.85Å; F280-L322 HydrophobicContact CD1-CD1 4.31Å; F280-L322 HydrophobicContact CD1-CD2 4.17Å; I285-L322 HydrophobicContact CD1-CD1 3.58Å; A301-L322 HydrophobicContact CB-CD2 3.71Å; I303-L322 HydrophobicContact CD1-CD2 4.23Å; I318-L322 HydrophobicContact CG2-CB 4.28Å; I318-L322 HydrophobicContact CG2-CD2 4.27Å; I318-L322 VanDerWaalsContact O-CB 3.28Å; I318-L322 WeakPolarHBondContact O-CB 3.35Å; I318-L322 PolarHBondContact O-N 2.65Å; L322-V324 HydrophobicContact CD1-CG2 3.84Å; L322-V324 HydrophobicContact CG-CB 4.23Å; L322-V324 HydrophobicContact CG-CG2 3.96Å; L322-V324 PolarHBondContact O-N 3.02Å; L322-I327 HydrophobicContact CB-CD1 4.22Å; L322-I327 HydrophobicContact CD2-CD1 4.04Å; L322-I327 HydrophobicContact CD2-CG1 4.2Å; L322-I327 HydrophobicContact CG-CD1 4.29Å; L322-K357 PolarHBondContact O-NZ 3.29Å | ||
| 323 | D | 97.2 | Very high | 98 | Very high | 76 Ų | 76 | 25.7 Ų | 25.7 | 41% | 0.406 | 13% | 0.133 | S | C | . | . | trans | -80 | 62.7 | -177.7 | -171.3 | 25.9 | 0 | 0 | 0 | 112.4 | R282 W297 T321 | R282-D323 IonicContact CZ-OD2 2.71Å; R282-D323 IonicContact NH1-OD2 2.97Å; R282-D323 PolarHBondContact NH1-OD2 2.97Å; W297-D323 HydrophobicContact CZ2-CB 4.17Å; W297-D323 WeakPolarHBondContact CZ2-O 3.46Å; W297-D323 PolarHBondContact NE1-O 3.11Å; T321-D323 PolarHBondContact O-N 2.87Å | ||
| 324 | V | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | trans | -129.4 | 133.1 | 176 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | P298 A301 L322 S326 | P298-V324 HydrophobicContact CB-CG2 4.21Å; A301-V324 HydrophobicContact CB-CB 4.36Å; A301-V324 HydrophobicContact CB-CG1 4.09Å; A301-V324 HydrophobicContact CB-CG2 4.42Å; L322-V324 HydrophobicContact CD1-CG2 3.84Å; L322-V324 HydrophobicContact CG-CB 4.23Å; L322-V324 HydrophobicContact CG-CG2 3.96Å; L322-V324 PolarHBondContact O-N 3.02Å; V324-S326 VanDerWaalsContact C-N 3.29Å; V324-S326 WeakPolarHBondContact CG1-O 3.36Å; V324-S326 PolarHBondContact O-N 2.94Å | ||
| 325 | P | 97.8 | Very high | 98 | Very high | 67 Ų | 67 | 24.7 Ų | 24.7 | 44% | 0.435 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -71.5 | -20.6 | -173.5 | 27.3 | -34.9 | 0 | 0 | 0 | 113.9 | V299 K357 V358 | V299-P325 WeakPolarHBondContact O-CG 3.41Å; P325-K357 CarbonylContact O-C 3.35Å; P325-K357 VanDerWaalsContact O-CA 3.22Å; P325-K357 WeakPolarHBondContact O-CA 3.42Å; P325-V358 PolarHBondContact O-N 2.98Å |
| 326 | S | 98.7 | Very high | 98 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 118.2 | 178.9 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | H300 A301 V324 V358 F360 | H300-S326 CarbonylContact C-O 3.54Å; H300-S326 WeakPolarHBondContact CA-O 3.43Å; H300-S326 PolarHBondContact CE1-OG 2.94Å; H300-S326 WeakPolarHBondContact ND1-CB 3.4Å; H300-S326 PolarHBondContact ND1-O 2.94Å; H300-S326 PolarHBondContact ND1-OG 2.84Å; A301-S326 PolarHBondContact N-O 2.63Å; V324-S326 VanDerWaalsContact C-N 3.29Å; V324-S326 WeakPolarHBondContact CG1-O 3.36Å; V324-S326 PolarHBondContact O-N 2.94Å; S326-V358 WeakPolarHBondContact CA-O 3.33Å; S326-F360 WeakPolarHBondContact OG-CE2 3.46Å |
| 327 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.8 | -179.4 | -55.8 | 173.7 | 0 | 0 | 0 | 109.1 | I303 L322 F329 K357 V358 I359 F360 | I303-I327 HydrophobicContact CD1-CG2 4.31Å; L322-I327 HydrophobicContact CB-CD1 4.22Å; L322-I327 HydrophobicContact CD2-CD1 4.04Å; L322-I327 HydrophobicContact CD2-CG1 4.2Å; L322-I327 HydrophobicContact CG-CD1 4.29Å; I327-F329 HydrophobicContact CG2-CD2 4.3Å; I327-F329 HydrophobicContact CG2-CE2 3.75Å; I327-F329 HydrophobicContact CG2-CZ 3.9Å; I327-K357 HydrophobicContact CD1-CD 4.21Å; I327-V358 PolarHBondContact N-O 3.31Å; I327-I359 HydrophobicContact CB-CD1 3.89Å; I327-I359 HydrophobicContact CD1-CD1 4.19Å; I327-I359 HydrophobicContact CG1-CD1 4.36Å; I327-I359 CarbonylContact O-C 3.11Å; I327-I359 WeakPolarHBondContact O-CA 3.46Å; I327-F360 PolarHBondContact O-N 3.32Å |
| 328 | H | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.7 | 177.8 | 167.4 | -148.5 | 0 | 0 | 0 | 110.5 | N224 V227 H300 A301 V302 I303 F360 T362 | N224-H328 PolarHBondContact OD1-CE1 3.42Å; N224-H328 PolarHBondContact OD1-NE2 3.03Å; V227-H328 HydrophobicContact CG1-CB 4.05Å; H300-H328 VanDerWaalsContact CE1-CB 3.41Å; H300-H328 WeakPolarHBondContact CE1-CB 3.18Å; A301-H328 PolarHBondContact O-N 3.29Å; V302-H328 CarbonylContact C-O 3.57Å; V302-H328 VanDerWaalsContact CA-O 3.31Å; V302-H328 WeakPolarHBondContact CA-O 3.4Å; V302-H328 HydrophobicContact CG2-CB 4.27Å; I303-H328 PolarHBondContact N-O 3.41Å; H328-F360 WeakPolarHBondContact CA-O 3.32Å; H328-F360 HydrophobicContact CB-CB 4.05Å; H328-T362 VanDerWaalsContact NE2-CG2 3.28Å; H328-T362 WeakPolarHBondContact NE2-CG2 3.3Å; H328-T362 PolarHBondContact NE2-OG1 2.79Å |
| 329 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114 | 167.7 | -64 | -79.5 | 0 | 0 | 0 | 109.7 | I303 N305 T315 I318 K319 I327 S331 G348 I359 F360 E361 T362 | I303-F329 HydrophobicContact CB-CD1 4.07Å; I303-F329 HydrophobicContact CB-CE1 4.25Å; I303-F329 HydrophobicContact CD1-CE1 4.02Å; I303-F329 HydrophobicContact CG2-CD1 4.29Å; I303-F329 HydrophobicContact CG2-CE1 4.36Å; I303-F329 CarbonylContact O-C 3.59Å; I303-F329 VanDerWaalsContact O-CA 3.29Å; I303-F329 WeakPolarHBondContact O-CA 3.46Å; N305-F329 HydrophobicContact CB-CB 4.49Å; N305-F329 HydrophobicContact CB-CD1 3.88Å; T315-F329 HydrophobicContact CG2-CD1 4.38Å; T315-F329 HydrophobicContact CG2-CE1 3.92Å; T315-F329 HydrophobicContact CG2-CZ 4.08Å; I318-F329 HydrophobicContact CB-CZ 4.43Å; I318-F329 HydrophobicContact CD1-CE1 4.27Å; I318-F329 HydrophobicContact CG2-CE1 4.36Å; I318-F329 HydrophobicContact CG2-CZ 4.04Å; K319-F329 HydrophobicContact CG-CE2 4.47Å; I327-F329 HydrophobicContact CG2-CD2 4.3Å; I327-F329 HydrophobicContact CG2-CE2 3.75Å; I327-F329 HydrophobicContact CG2-CZ 3.9Å; F329-S331 PolarHBondContact O-N 3.4Å; F329-G348 VanDerWaalsContact CD2-CA 3.41Å; F329-I359 HydrophobicContact CD2-CG2 3.9Å; F329-I359 HydrophobicContact CE2-CG2 3.92Å; F329-F360 PolarHBondContact N-O 3.34Å; F329-E361 HydrophobicContact CB-CG 4.21Å; F329-E361 WeakPolarHBondContact O-CA 3.33Å; F329-T362 PolarHBondContact O-N 3.08Å; F329-T362 VanDerWaalsContact O-N 3.13Å |
| 330 | D | 98.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 95.4 | 167.8 | -173.9 | -15.6 | 0 | 0 | 0 | 108 | N224 I303 N305 A332 | N224-D330 PolarHBondContact ND2-OD2 3.39Å; I303-D330 PolarHBondContact O-N 3.33Å; N305-D330 PolarHBondContact N-O 3.15Å; D330-A332 WeakPolarHBondContact OD1-CB 3.46Å; D330-A332 PolarHBondContact OD1-N 3.43Å |
| 331 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -105.1 | 30.6 | -174.4 | -67.7 | 0 | 0 | 0 | 0 | 112.6 | N305 F329 W333 V334 T362 | N305-S331 WeakPolarHBondContact O-CA 3.33Å; N305-S331 WeakPolarHBondContact O-CB 3.48Å; N305-S331 PolarHBondContact O-OG 3.35Å; F329-S331 PolarHBondContact O-N 3.4Å; S331-W333 PolarHBondContact O-N 3.28Å; S331-V334 PolarHBondContact O-N 3.21Å; S331-V334 VanDerWaalsContact O-N 3.09Å; S331-T362 CarbonylContact C-O 3.52Å; S331-T362 VanDerWaalsContact CA-O 3.27Å; S331-T362 WeakPolarHBondContact CA-O 3.38Å; S331-T362 PolarHBondContact N-O 3.36Å | ||
| 332 | A | 98.3 | Very high | 97.8 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -32 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T220 D330 T362 K367 | T220-A332 HydrophobicContact CG2-CB 4.01Å; D330-A332 WeakPolarHBondContact OD1-CB 3.46Å; D330-A332 PolarHBondContact OD1-N 3.43Å; A332-T362 PolarHBondContact N-O 3.17Å; A332-T362 VanDerWaalsContact N-O 3.14Å; A332-K367 HydrophobicContact CB-CD 4.42Å |
| 333 | W | 98.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 22.4 Ų | 22.4 | 12% | 0.121 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -8.6 | -176.6 | -72 | 118 | 0 | 0 | 0 | 115.5 | Y308 S331 Y336 K367 K490 E526 L536 | Y308-W333 AromaticContact CD2-CE2 3.73Å; Y308-W333 AromaticContact CD2-CZ2 3.79Å; Y308-W333 HydrophobicContact CD2-CZ2 3.79Å; Y308-W333 AromaticContact CD2-NE1 3.42Å; Y308-W333 HydrophobicContact CE1-CZ2 4.42Å; Y308-W333 AromaticContact CE2-CE2 3.66Å; Y308-W333 HydrophobicContact CE2-CH2 4.08Å; Y308-W333 AromaticContact CE2-CZ2 3.2Å; Y308-W333 HydrophobicContact CE2-CZ2 3.2Å; Y308-W333 AromaticContact CE2-NE1 3.8Å; Y308-W333 AromaticContact CZ-CH2 3.96Å; Y308-W333 AromaticContact CZ-CZ2 3.55Å; S331-W333 PolarHBondContact O-N 3.28Å; W333-Y336 PolarHBondContact O-OH 3.03Å; W333-K367 HydrophobicContact CD2-CD 4.13Å; W333-K367 HydrophobicContact CE3-CD 3.86Å; W333-K367 HydrophobicContact CH2-CD 3.92Å; W333-K367 HydrophobicContact CZ2-CD 4.17Å; W333-K367 HydrophobicContact CZ3-CB 4.38Å; W333-K367 HydrophobicContact CZ3-CD 3.76Å; W333-K367 HydrophobicContact CZ3-CG 4.36Å; W333-K490 PolarHBondContact O-NZ 3.37Å; W333-E526 WeakPolarHBondContact CH2-OE1 3.44Å; W333-L536 HydrophobicContact CE3-CD1 4.17Å; W333-L536 HydrophobicContact CH2-CD1 4.44Å; W333-L536 HydrophobicContact CZ3-CD1 3.57Å |
| 334 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -132.3 | 46.1 | -173.1 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | N305 S306 L312 S331 Y336 T337 | N305-V334 WeakPolarHBondContact O-CG2 3.45Å; S306-V334 VanDerWaalsContact OG-CG1 3.23Å; S306-V334 WeakPolarHBondContact OG-CG1 3.4Å; L312-V334 HydrophobicContact CD2-CG1 4.06Å; L312-V334 HydrophobicContact CD2-CG2 4.45Å; S331-V334 PolarHBondContact O-N 3.21Å; S331-V334 VanDerWaalsContact O-N 3.09Å; V334-Y336 HydrophobicContact CB-CE2 4.49Å; V334-Y336 PolarHBondContact O-N 3.34Å; V334-T337 HydrophobicContact CB-CG2 3.73Å; V334-T337 HydrophobicContact CG2-CG2 4.03Å; V334-T337 WeakPolarHBondContact O-CG2 3.42Å; V334-T337 PolarHBondContact O-N 3.29Å; V334-T337 PolarHBondContact O-OG1 2.86Å | ||
| 335 | P | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 4.5 | -178.6 | 35 | -41.7 | 0 | 0 | 0 | 114.5 | F208 Q363 M368 L369 | F208-P335 WeakPolarHBondContact CE1-O 3.5Å; P335-Q363 VanDerWaalsContact CA-OE1 3.31Å; P335-Q363 HydrophobicContact CB-CB 4.07Å; P335-Q363 HydrophobicContact CB-CG 4.34Å; P335-M368 HydrophobicContact CG-CB 3.78Å; P335-L369 HydrophobicContact CB-CD1 3.77Å; P335-L369 HydrophobicContact CB-CG 3.9Å; P335-L369 HydrophobicContact CG-CD1 4.16Å; P335-L369 HydrophobicContact CG-CD2 4.25Å; P335-L369 HydrophobicContact CG-CG 3.69Å |
| 336 | Y | 98 | Very high | 97.8 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -1.4 | -175 | 46.5 | -100.3 | 0 | 0 | 0 | 113.6 | W333 V334 H338 F339 Y343 M368 D487 V489 K490 | W333-Y336 PolarHBondContact O-OH 3.03Å; V334-Y336 HydrophobicContact CB-CE2 4.49Å; V334-Y336 PolarHBondContact O-N 3.34Å; Y336-H338 VanDerWaalsContact C-N 3.26Å; Y336-H338 PolarHBondContact O-N 3.42Å; Y336-F339 WeakPolarHBondContact O-CD2 3.33Å; Y336-F339 PolarHBondContact O-N 3.07Å; Y336-F339 VanDerWaalsContact O-N 3.09Å; Y336-Y343 HydrophobicContact CD2-CD2 4.4Å; Y336-Y343 AromaticContact CD2-CE2 3.76Å; Y336-Y343 HydrophobicContact CD2-CE2 3.76Å; Y336-Y343 AromaticContact CD2-CZ 3.89Å; Y336-Y343 HydrophobicContact CE2-CE1 4.07Å; Y336-Y343 AromaticContact CE2-CE2 3.97Å; Y336-Y343 HydrophobicContact CE2-CE2 3.97Å; Y336-Y343 AromaticContact CE2-CZ 3.58Å; Y336-Y343 WeakPolarHBondContact CE2-OH 3.22Å; Y336-M368 HydrophobicContact CD1-CB 3.78Å; Y336-M368 HydrophobicContact CE1-CB 3.66Å; Y336-M368 HydrophobicContact CE1-CE 3.77Å; Y336-M368 HydrophobicContact CE1-CG 3.96Å; Y336-D487 PolarHBondContact OH-OD2 2.64Å; Y336-V489 HydrophobicContact CE1-CG2 4.42Å; Y336-V489 HydrophobicContact CE2-CG2 4.05Å; Y336-V489 VanDerWaalsContact OH-CG2 3.26Å; Y336-V489 WeakPolarHBondContact OH-CG2 3.37Å; Y336-K490 VanDerWaalsContact OH-CE 3.24Å; Y336-K490 WeakPolarHBondContact OH-CE 3.32Å; Y336-K490 PolarHBondContact OH-NZ 2.66Å |
| 337 | T | 97.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -60.6 | -32 | -169.5 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | L312 V334 F339 Y343 S347 | L312-T337 HydrophobicContact CD2-CG2 4.45Å; V334-T337 HydrophobicContact CB-CG2 3.73Å; V334-T337 HydrophobicContact CG2-CG2 4.03Å; V334-T337 WeakPolarHBondContact O-CG2 3.42Å; V334-T337 PolarHBondContact O-N 3.29Å; V334-T337 PolarHBondContact O-OG1 2.86Å; T337-F339 PolarHBondContact O-N 3.4Å; T337-Y343 HydrophobicContact CG2-CD1 4.13Å; T337-Y343 HydrophobicContact CG2-CG 4.01Å; T337-Y343 VanDerWaalsContact O-CB 3.27Å; T337-Y343 WeakPolarHBondContact O-CB 3.45Å; T337-S347 VanDerWaalsContact OG1-CB 3.25Å; T337-S347 WeakPolarHBondContact OG1-CB 3.41Å |
| 338 | H | 95.5 | Very high | 97.7 | Very high | 86 Ų | 86 | 24.2 Ų | 24.2 | 40% | 0.398 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -66.9 | -20.5 | 179.5 | -166.6 | 72.2 | 0 | 0 | 0 | 113.8 | T207 F208 Y336 | T207-H338 PolarHBondContact O-CD2 3.14Å; F208-H338 PolarHBondContact O-ND1 2.82Å; Y336-H338 VanDerWaalsContact C-N 3.26Å; Y336-H338 PolarHBondContact O-N 3.42Å |
| 339 | F | 96.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 24.3 Ų | 24.3 | 8% | 0.075 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -100.8 | 5.8 | -166.1 | -48 | -71.9 | 0 | 0 | 0 | 114.4 | T207 F208 Y336 T337 L416 I425 | T207-F339 HydrophobicContact CG2-CE1 3.79Å; T207-F339 HydrophobicContact CG2-CZ 4.14Å; T207-F339 VanDerWaalsContact O-CE1 3.26Å; T207-F339 WeakPolarHBondContact O-CE1 3.44Å; F208-F339 HydrophobicContact CD1-CE2 4.13Å; F208-F339 AromaticContact CD1-CZ 3.91Å; F208-F339 HydrophobicContact CD1-CZ 3.91Å; F208-F339 HydrophobicContact CD2-CZ 4.06Å; F208-F339 AromaticContact CE1-CE2 3.79Å; F208-F339 HydrophobicContact CE1-CE2 3.79Å; F208-F339 AromaticContact CE1-CZ 3.8Å; F208-F339 HydrophobicContact CE1-CZ 3.8Å; F208-F339 AromaticContact CE2-CZ 3.94Å; F208-F339 HydrophobicContact CE2-CZ 3.94Å; F208-F339 HydrophobicContact CG-CZ 4.04Å; F208-F339 HydrophobicContact CZ-CE2 4.06Å; F208-F339 AromaticContact CZ-CZ 3.81Å; F208-F339 HydrophobicContact CZ-CZ 3.81Å; Y336-F339 WeakPolarHBondContact O-CD2 3.33Å; Y336-F339 PolarHBondContact O-N 3.07Å; Y336-F339 VanDerWaalsContact O-N 3.09Å; T337-F339 PolarHBondContact O-N 3.4Å; F339-L416 HydrophobicContact CD1-CB 3.84Å; F339-L416 WeakPolarHBondContact CD1-O 3.32Å; F339-L416 HydrophobicContact CD2-CB 4.17Å; F339-L416 HydrophobicContact CD2-CD1 3.91Å; F339-L416 HydrophobicContact CD2-CD2 4.16Å; F339-L416 HydrophobicContact CD2-CG 4.29Å; F339-L416 HydrophobicContact CE1-CB 3.58Å; F339-L416 HydrophobicContact CE1-CD1 4.49Å; F339-L416 HydrophobicContact CE2-CB 3.97Å; F339-L416 HydrophobicContact CE2-CD1 3.39Å; F339-L416 HydrophobicContact CE2-CD2 4.46Å; F339-L416 HydrophobicContact CE2-CG 4.13Å; F339-L416 HydrophobicContact CG-CB 4.13Å; F339-L416 HydrophobicContact CG-CD2 4.42Å; F339-L416 HydrophobicContact CZ-CB 3.66Å; F339-L416 HydrophobicContact CZ-CD1 3.73Å; F339-L416 HydrophobicContact CZ-CG 4.27Å; F339-I425 HydrophobicContact CB-CG1 3.83Å |
| 340 | H | 96.2 | Very high | 97.5 | Very high | 25 Ų | 25 | 25 Ų | 25 | 12% | 0.116 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -143.2 | 133 | 176 | -162.5 | -82.5 | 0 | 0 | 0 | 112.3 | I342 Y343 I425 N426 | H340-I342 VanDerWaalsContact C-N 3.27Å; H340-I342 VanDerWaalsContact CE1-CG2 3.46Å; H340-I342 WeakPolarHBondContact CE1-CG2 3.46Å; H340-I342 VanDerWaalsContact ND1-CG1 3.26Å; H340-I342 WeakPolarHBondContact ND1-CG1 3.41Å; H340-I342 WeakPolarHBondContact ND1-CG2 3.24Å; H340-I342 PolarHBondContact ND1-N 2.86Å; H340-I342 PolarHBondContact O-N 3.24Å; H340-I342 VanDerWaalsContact O-N 3.14Å; H340-Y343 HydrophobicContact CB-CD2 3.75Å; H340-Y343 HydrophobicContact CB-CE2 3.87Å; H340-Y343 PolarHBondContact O-N 2.86Å; H340-I425 HydrophobicContact CB-CG2 3.84Å; H340-N426 PolarHBondContact NE2-OD1 2.64Å |
| 341 | P | 95.8 | Very high | 97.3 | Very high | 103 Ų | 103 | 26.6 Ų | 26.6 | 67% | 0.669 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -57.5 | -31.6 | -173.9 | -27.4 | 35 | 0 | 0 | 0 | 115.5 | Y343 Q344 | P341-Y343 PolarHBondContact O-N 2.88Å; P341-Q344 VanDerWaalsContact O-CB 3.27Å; P341-Q344 WeakPolarHBondContact O-CB 3.46Å; P341-Q344 PolarHBondContact O-N 2.95Å |
| 342 | I | 97.4 | Very high | 97 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -59 | -24.4 | -178.5 | 73.1 | -172.8 | 0 | 0 | 0 | 113.3 | H340 K346 V429 P488 | H340-I342 VanDerWaalsContact C-N 3.27Å; H340-I342 VanDerWaalsContact CE1-CG2 3.46Å; H340-I342 WeakPolarHBondContact CE1-CG2 3.46Å; H340-I342 VanDerWaalsContact ND1-CG1 3.26Å; H340-I342 WeakPolarHBondContact ND1-CG1 3.41Å; H340-I342 WeakPolarHBondContact ND1-CG2 3.24Å; H340-I342 PolarHBondContact ND1-N 2.86Å; H340-I342 PolarHBondContact O-N 3.24Å; H340-I342 VanDerWaalsContact O-N 3.14Å; I342-K346 PolarHBondContact O-NZ 2.86Å; I342-V429 HydrophobicContact CD1-CG1 4.14Å; I342-V429 HydrophobicContact CD1-CG2 4.19Å; I342-P488 HydrophobicContact CD1-CG 4.1Å |
| 343 | Y | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -89.6 | -1.2 | -179.9 | -58.7 | -62.3 | 0 | 0 | 0 | 113.6 | L312 Y336 T337 H340 P341 G345 K346 C464 D487 | L312-Y343 HydrophobicContact CD1-CD1 3.67Å; L312-Y343 HydrophobicContact CD1-CE1 3.84Å; Y336-Y343 HydrophobicContact CD2-CD2 4.4Å; Y336-Y343 AromaticContact CD2-CE2 3.76Å; Y336-Y343 HydrophobicContact CD2-CE2 3.76Å; Y336-Y343 AromaticContact CD2-CZ 3.89Å; Y336-Y343 HydrophobicContact CE2-CE1 4.07Å; Y336-Y343 AromaticContact CE2-CE2 3.97Å; Y336-Y343 HydrophobicContact CE2-CE2 3.97Å; Y336-Y343 AromaticContact CE2-CZ 3.58Å; Y336-Y343 WeakPolarHBondContact CE2-OH 3.22Å; T337-Y343 HydrophobicContact CG2-CD1 4.13Å; T337-Y343 HydrophobicContact CG2-CG 4.01Å; T337-Y343 VanDerWaalsContact O-CB 3.27Å; T337-Y343 WeakPolarHBondContact O-CB 3.45Å; H340-Y343 HydrophobicContact CB-CD2 3.75Å; H340-Y343 HydrophobicContact CB-CE2 3.87Å; H340-Y343 PolarHBondContact O-N 2.86Å; P341-Y343 PolarHBondContact O-N 2.88Å; Y343-G345 PolarHBondContact O-N 2.87Å; Y343-K346 WeakPolarHBondContact O-CA 3.09Å; Y343-K346 WeakPolarHBondContact O-CB 3.24Å; Y343-K346 PolarHBondContact O-N 2.88Å; Y343-C464 WeakPolarHBondContact CD1-SG 3.29Å; Y343-C464 VanDerWaalsContact CE1-SG 3.51Å; Y343-D487 WeakPolarHBondContact CE1-OD1 3.49Å; Y343-D487 PolarHBondContact OH-OD1 3.02Å |
| 344 | Q | 96.9 | Very high | 96.9 | Very high | 148 Ų | 148 | 39.1 Ų | 39.1 | 69% | 0.692 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 134.2 | 175.6 | -168.8 | 178 | 5.9 | 0 | 0 | 110.4 | P341 K346 | P341-Q344 VanDerWaalsContact O-CB 3.27Å; P341-Q344 WeakPolarHBondContact O-CB 3.46Å; P341-Q344 PolarHBondContact O-N 2.95Å; Q344-K346 PolarHBondContact O-N 3.07Å; Q344-K346 PolarHBondContact O-NZ 3.45Å; Q344-K346 VanDerWaalsContact O-NZ 3.1Å |
| 345 | G | 97.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -1.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T315 D316 Y343 S350 | T315-G345 PolarHBondContact N-O 3.35Å; T315-G345 PolarHBondContact OG1-O 2.96Å; D316-G345 PolarHBondContact N-O 2.95Å; D316-G345 VanDerWaalsContact OD2-CA 3.22Å; D316-G345 WeakPolarHBondContact OD2-CA 3.38Å; Y343-G345 PolarHBondContact O-N 2.87Å; G345-S350 WeakPolarHBondContact CA-OG 3.46Å; G345-S350 PolarHBondContact N-OG 3.03Å |
| 346 | K | 98.5 | Very high | 96.6 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 13% | 0.13 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -114.1 | 7.1 | -169.8 | -54.3 | 178.3 | -169.6 | 73.4 | 0 | 114.4 | N305 L312 Y313 I342 Y343 Q344 C464 F485 | N305-K346 PolarHBondContact ND2-O 3.34Å; L312-K346 HydrophobicContact CB-CB 4.16Å; L312-K346 HydrophobicContact CD1-CB 4.49Å; L312-K346 HydrophobicContact CD1-CD 4.41Å; Y313-K346 VanDerWaalsContact O-CA 3.31Å; Y313-K346 WeakPolarHBondContact O-CA 3.45Å; I342-K346 PolarHBondContact O-NZ 2.86Å; Y343-K346 WeakPolarHBondContact O-CA 3.09Å; Y343-K346 WeakPolarHBondContact O-CB 3.24Å; Y343-K346 PolarHBondContact O-N 2.88Å; Q344-K346 PolarHBondContact O-N 3.07Å; Q344-K346 PolarHBondContact O-NZ 3.45Å; Q344-K346 VanDerWaalsContact O-NZ 3.1Å; K346-C464 HydrophobicContact CD-CB 3.72Å; K346-F485 HydrophobicContact CD-CB 4.03Å; K346-F485 HydrophobicContact CD-CD2 3.69Å; K346-F485 HydrophobicContact CD-CE2 4.28Å; K346-F485 HydrophobicContact CD-CG 3.85Å; K346-F485 VanDerWaalsContact CE-CG 3.5Å; K346-F485 HydrophobicContact CG-CD2 3.99Å; K346-F485 HydrophobicContact CG-CE2 4.26Å |
| 347 | S | 97.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -129.1 | 149.2 | 174.9 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | T315 K319 T337 M349 S350 E361 | T315-S347 PolarHBondContact OG1-N 2.68Å; T315-S347 PolarHBondContact OG1-O 3.19Å; K319-S347 PolarHBondContact NZ-O 3.03Å; T337-S347 VanDerWaalsContact OG1-CB 3.25Å; T337-S347 WeakPolarHBondContact OG1-CB 3.41Å; S347-M349 PolarHBondContact O-N 2.79Å; S347-S350 WeakPolarHBondContact O-CB 3.27Å; S347-S350 PolarHBondContact O-N 2.79Å; S347-S350 PolarHBondContact OG-N 2.9Å; S347-E361 VanDerWaalsContact C-OE1 3.3Å; S347-E361 VanDerWaalsContact CB-OE1 3.29Å; S347-E361 WeakPolarHBondContact CB-OE1 3.48Å |
| 348 | G | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -37 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K319 F329 S350 I359 E361 | K319-G348 WeakPolarHBondContact CE-O 3.23Å; K319-G348 PolarHBondContact NZ-O 3.36Å; K319-G348 VanDerWaalsContact NZ-O 3.13Å; F329-G348 VanDerWaalsContact CD2-CA 3.41Å; G348-S350 VanDerWaalsContact C-N 3.34Å; G348-I359 WeakPolarHBondContact O-CG2 3.28Å; G348-E361 WeakPolarHBondContact CA-OE1 3.16Å; G348-E361 PolarHBondContact N-OE1 3.24Å |
| 349 | M | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.9 | 176.4 | -68.9 | -57.6 | 103.5 | 0 | 0 | 113.8 | A210 S347 I359 E361 H379 K381 | A210-M349 HydrophobicContact CB-SD 3.83Å; S347-M349 PolarHBondContact O-N 2.79Å; M349-I359 HydrophobicContact CE-CB 4.3Å; M349-I359 HydrophobicContact CE-CG2 4.02Å; M349-I359 WeakPolarHBondContact CE-O 3.46Å; M349-E361 HydrophobicContact CE-CB 4.35Å; M349-E361 HydrophobicContact CE-CG 4.09Å; M349-E361 HydrophobicContact CG-CB 4.28Å; M349-E361 HydrophobicContact CG-CG 4.02Å; M349-E361 PolarHBondContact N-OE1 3.14Å; M349-H379 HydrophobicContact CE-CB 4.36Å; M349-H379 HydrophobicContact CG-CB 3.87Å; M349-H379 HydrophobicContact SD-CB 3.76Å; M349-K381 HydrophobicContact CE-CB 3.86Å; M349-K381 PolarHBondContact O-NZ 3.48Å; M349-K381 HydrophobicContact SD-CB 3.94Å |
| 350 | S | 96.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -64.7 | 143.3 | 173 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | K319 G345 S347 G348 | K319-S350 PolarHBondContact NZ-O 2.93Å; G345-S350 WeakPolarHBondContact CA-OG 3.46Å; G345-S350 PolarHBondContact N-OG 3.03Å; S347-S350 WeakPolarHBondContact O-CB 3.27Å; S347-S350 PolarHBondContact O-N 2.79Å; S347-S350 PolarHBondContact OG-N 2.9Å; G348-S350 VanDerWaalsContact C-N 3.34Å |
| 351 | G | 93.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 42.6 Ų | 42.6 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 77.6 | -172.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K381 | G351-K381 PolarHBondContact O-NZ 2.93Š|
| 352 | E | 93.1 | Very high | 97.2 | Very high | 169 Ų | 169 | 37.7 Ų | 37.7 | 79% | 0.79 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -83.7 | 169 | 179.9 | -63.3 | -57.5 | 144.4 | 0 | 0 | 112.2 | ||
| 353 | R | 96.5 | Very high | 97.3 | Very high | 115 Ų | 115 | 36.5 Ų | 36.5 | 43% | 0.434 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 139.7 | 172.5 | -173.4 | -171.6 | -73.8 | -163.2 | -5.1 | 111.1 | E211 K381 E383 | E211-R353 IonicContact OE1-CZ 3.59Å; E211-R353 IonicContact OE1-NE 3.99Å; E211-R353 PolarHBondContact OE1-NE 2.93Å; E211-R353 IonicContact OE1-NH2 2.73Å; E211-R353 PolarHBondContact OE1-NH2 3.47Å; E211-R353 IonicContact OE2-CZ 3.48Å; E211-R353 VanDerWaalsContact OE2-CZ 3.31Å; E211-R353 IonicContact OE2-NE 2.8Å; E211-R353 PolarHBondContact OE2-NE 2.82Å; E211-R353 IonicContact OE2-NH2 3.31Å; E211-R353 PolarHBondContact OE2-NH2 3.29Å; R353-K381 HydrophobicContact CB-CG 4.45Å; R353-E383 VanDerWaalsContact NH1-CG 3.34Å; R353-E383 IonicContact NH1-OE1 3.17Å; R353-E383 PolarHBondContact NH1-OE1 3.4Å |
| 354 | V | 96.7 | Very high | 97.3 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -100.5 | 121.2 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | K319 G356 K357 | K319-V354 HydrophobicContact CB-CG2 4.07Å; K319-V354 HydrophobicContact CD-CG2 4.34Å; K319-V354 HydrophobicContact CG-CG2 4.48Å; V354-G356 PolarHBondContact O-N 3.39Å; V354-K357 HydrophobicContact CB-CB 4.37Å; V354-K357 HydrophobicContact CG1-CB 4.32Å; V354-K357 HydrophobicContact CG1-CD 3.95Å; V354-K357 HydrophobicContact CG1-CG 4.25Å; V354-K357 PolarHBondContact O-N 3.16Å |
| 355 | A | 95.2 | Very high | 97.4 | Very high | 95 Ų | 95 | 29.6 Ų | 29.6 | 79% | 0.785 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 133.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K357 | A355-K357 PolarHBondContact O-N 3.18Š|
| 356 | G | 96.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 31.9 Ų | 31.9 | 77% | 0.773 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 5.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V354 | V354-G356 PolarHBondContact O-N 3.39Š|
| 357 | K | 98.2 | Very high | 97.4 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 12% | 0.122 | 20% | 0.202 | C | C | . | . | trans | -126.2 | 144.3 | 177.9 | -56.3 | -174.1 | -170.4 | 178 | 0 | 111.4 | K319 L322 P325 I327 V354 A355 I359 | K319-K357 PolarHBondContact O-NZ 2.79Å; L322-K357 PolarHBondContact O-NZ 3.29Å; P325-K357 CarbonylContact O-C 3.35Å; P325-K357 VanDerWaalsContact O-CA 3.22Å; P325-K357 WeakPolarHBondContact O-CA 3.42Å; I327-K357 HydrophobicContact CD1-CD 4.21Å; V354-K357 HydrophobicContact CB-CB 4.37Å; V354-K357 HydrophobicContact CG1-CB 4.32Å; V354-K357 HydrophobicContact CG1-CD 3.95Å; V354-K357 HydrophobicContact CG1-CG 4.25Å; V354-K357 PolarHBondContact O-N 3.16Å; A355-K357 PolarHBondContact O-N 3.18Å; K357-I359 HydrophobicContact CB-CD1 4.35Å | ||
| 358 | V | 98.6 | Very high | 97.4 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.5 | 164.5 | 59.7 | 0 | 0 | 0 | 0 | 109 | P325 S326 I327 F360 I380 | P325-V358 PolarHBondContact O-N 2.98Å; S326-V358 WeakPolarHBondContact CA-O 3.33Å; I327-V358 PolarHBondContact N-O 3.31Å; V358-F360 HydrophobicContact CB-CE2 4.22Å; V358-F360 HydrophobicContact CB-CZ 4.5Å; V358-F360 HydrophobicContact CG1-CD2 4.46Å; V358-F360 HydrophobicContact CG1-CE2 3.59Å; V358-F360 HydrophobicContact CG1-CZ 4.11Å; V358-F360 HydrophobicContact CG2-CD2 4.29Å; V358-F360 HydrophobicContact CG2-CE1 4.2Å; V358-F360 HydrophobicContact CG2-CE2 3.64Å; V358-F360 HydrophobicContact CG2-CZ 3.57Å; V358-I380 HydrophobicContact CG2-CG2 3.72Å |
| 359 | I | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.4 | 178.7 | -49 | -58.4 | 0 | 0 | 0 | 108.7 | K319 I327 F329 G348 M349 K357 K381 | K319-I359 HydrophobicContact CG-CD1 4.1Å; I327-I359 HydrophobicContact CB-CD1 3.89Å; I327-I359 HydrophobicContact CD1-CD1 4.19Å; I327-I359 HydrophobicContact CG1-CD1 4.36Å; I327-I359 CarbonylContact O-C 3.11Å; I327-I359 WeakPolarHBondContact O-CA 3.46Å; F329-I359 HydrophobicContact CD2-CG2 3.9Å; F329-I359 HydrophobicContact CE2-CG2 3.92Å; G348-I359 WeakPolarHBondContact O-CG2 3.28Å; M349-I359 HydrophobicContact CE-CB 4.3Å; M349-I359 HydrophobicContact CE-CG2 4.02Å; M349-I359 WeakPolarHBondContact CE-O 3.46Å; K357-I359 HydrophobicContact CB-CD1 4.35Å; I359-K381 PolarHBondContact N-O 2.91Å; I359-K381 PolarHBondContact O-N 3.34Å |
| 360 | F | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139.9 | 173.7 | -61.6 | -84.5 | 0 | 0 | 0 | 110.3 | V227 Y230 S326 I327 H328 F329 V358 I378 H379 I380 F389 | V227-F360 HydrophobicContact CG1-CB 3.9Å; V227-F360 HydrophobicContact CG1-CD1 4.02Å; V227-F360 HydrophobicContact CG1-CD2 3.78Å; V227-F360 HydrophobicContact CG1-CE2 4.3Å; V227-F360 HydrophobicContact CG1-CG 3.63Å; V227-F360 HydrophobicContact CG2-CB 4.41Å; V227-F360 HydrophobicContact CG2-CD1 4.04Å; V227-F360 HydrophobicContact CG2-CG 4.32Å; Y230-F360 HydrophobicContact CD1-CZ 4.03Å; Y230-F360 AromaticContact CE1-CZ 3.89Å; Y230-F360 HydrophobicContact CE1-CZ 3.89Å; S326-F360 WeakPolarHBondContact OG-CE2 3.46Å; I327-F360 PolarHBondContact O-N 3.32Å; H328-F360 WeakPolarHBondContact CA-O 3.32Å; H328-F360 HydrophobicContact CB-CB 4.05Å; F329-F360 PolarHBondContact N-O 3.34Å; V358-F360 HydrophobicContact CB-CE2 4.22Å; V358-F360 HydrophobicContact CB-CZ 4.5Å; V358-F360 HydrophobicContact CG1-CD2 4.46Å; V358-F360 HydrophobicContact CG1-CE2 3.59Å; V358-F360 HydrophobicContact CG1-CZ 4.11Å; V358-F360 HydrophobicContact CG2-CD2 4.29Å; V358-F360 HydrophobicContact CG2-CE1 4.2Å; V358-F360 HydrophobicContact CG2-CE2 3.64Å; V358-F360 HydrophobicContact CG2-CZ 3.57Å; F360-I378 HydrophobicContact CD1-CG2 4.26Å; F360-H379 CarbonylContact C-O 3.59Å; F360-H379 WeakPolarHBondContact CA-O 3.35Å; F360-I380 HydrophobicContact CD1-CB 4.45Å; F360-I380 HydrophobicContact CD1-CD1 4.37Å; F360-I380 HydrophobicContact CD1-CG1 3.81Å; F360-I380 HydrophobicContact CD1-CG2 4.28Å; F360-I380 HydrophobicContact CE1-CB 4.38Å; F360-I380 HydrophobicContact CE1-CD1 3.86Å; F360-I380 HydrophobicContact CE1-CG1 3.76Å; F360-I380 HydrophobicContact CE1-CG2 3.89Å; F360-I380 HydrophobicContact CZ-CG2 4.49Å; F360-F389 HydrophobicContact CD1-CE2 4.43Å; F360-F389 HydrophobicContact CE1-CD2 4.28Å; F360-F389 AromaticContact CE1-CE2 3.7Å; F360-F389 HydrophobicContact CE1-CE2 3.7Å; F360-F389 HydrophobicContact CE1-CZ 4.48Å; F360-F389 HydrophobicContact CZ-CE2 4.39Å |
| 361 | E | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.3 | 159 | -79 | -169.3 | -178.9 | 0 | 0 | 110.1 | F329 S347 G348 M349 Q363 I378 H379 | F329-E361 HydrophobicContact CB-CG 4.21Å; F329-E361 WeakPolarHBondContact O-CA 3.33Å; S347-E361 VanDerWaalsContact C-OE1 3.3Å; S347-E361 VanDerWaalsContact CB-OE1 3.29Å; S347-E361 WeakPolarHBondContact CB-OE1 3.48Å; G348-E361 WeakPolarHBondContact CA-OE1 3.16Å; G348-E361 PolarHBondContact N-OE1 3.24Å; M349-E361 HydrophobicContact CE-CB 4.35Å; M349-E361 HydrophobicContact CE-CG 4.09Å; M349-E361 HydrophobicContact CG-CB 4.28Å; M349-E361 HydrophobicContact CG-CG 4.02Å; M349-E361 PolarHBondContact N-OE1 3.14Å; E361-Q363 PolarHBondContact OE2-NE2 2.89Å; E361-I378 CarbonylContact O-C 3.47Å; E361-I378 WeakPolarHBondContact O-CA 3.41Å; E361-H379 HydrophobicContact CB-CB 4.22Å; E361-H379 PolarHBondContact N-O 2.8Å; E361-H379 PolarHBondContact O-N 3.25Å |
| 362 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127 | 168.2 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | T220 N224 V227 H328 F329 S331 A332 L377 I378 | T220-T362 WeakPolarHBondContact CG2-OG1 3.45Å; N224-T362 WeakPolarHBondContact OD1-CB 3.19Å; N224-T362 PolarHBondContact OD1-OG1 3.21Å; V227-T362 HydrophobicContact CG2-CG2 4Å; H328-T362 VanDerWaalsContact NE2-CG2 3.28Å; H328-T362 WeakPolarHBondContact NE2-CG2 3.3Å; H328-T362 PolarHBondContact NE2-OG1 2.79Å; F329-T362 PolarHBondContact O-N 3.08Å; F329-T362 VanDerWaalsContact O-N 3.13Å; S331-T362 CarbonylContact C-O 3.52Å; S331-T362 VanDerWaalsContact CA-O 3.27Å; S331-T362 WeakPolarHBondContact CA-O 3.38Å; S331-T362 PolarHBondContact N-O 3.36Å; A332-T362 PolarHBondContact N-O 3.17Å; A332-T362 VanDerWaalsContact N-O 3.14Å; T362-L377 WeakPolarHBondContact CA-O 3.37Å; T362-I378 HydrophobicContact CG2-CG1 4.25Å |
| 363 | Q | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.6 | -173.4 | -67.6 | -174.3 | 8.6 | 0 | 0 | 110.8 | F208 T220 P335 E361 T365 S376 L377 H379 | F208-Q363 VanDerWaalsContact CE1-OE1 3.26Å; T220-Q363 PolarHBondContact OG1-O 3.4Å; P335-Q363 VanDerWaalsContact CA-OE1 3.31Å; P335-Q363 HydrophobicContact CB-CB 4.07Å; P335-Q363 HydrophobicContact CB-CG 4.34Å; E361-Q363 PolarHBondContact OE2-NE2 2.89Å; Q363-T365 PolarHBondContact O-N 2.92Å; Q363-S376 CarbonylContact O-C 3.59Å; Q363-S376 WeakPolarHBondContact O-CA 3.31Å; Q363-S376 WeakPolarHBondContact O-CB 3.3Å; Q363-S376 PolarHBondContact O-OG 2.99Å; Q363-L377 HydrophobicContact CB-CB 4.48Å; Q363-L377 PolarHBondContact N-O 3.16Å; Q363-L377 PolarHBondContact O-N 3.15Å; Q363-H379 PolarHBondContact NE2-CD2 3.37Å; Q363-H379 PolarHBondContact OE1-NE2 3.18Å |
| 364 | S | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | trans | -91.2 | 91.9 | 170.9 | -74.8 | 0 | 0 | 0 | 0 | 108.1 | T220 H366 K367 | T220-S364 VanDerWaalsContact CB-OG 3.26Å; T220-S364 WeakPolarHBondContact CB-OG 3.39Å; T220-S364 VanDerWaalsContact OG1-CA 3.24Å; T220-S364 WeakPolarHBondContact OG1-CA 3.34Å; T220-S364 WeakPolarHBondContact OG1-CB 3.36Å; T220-S364 PolarHBondContact OG1-N 3.13Å; T220-S364 VanDerWaalsContact OG1-N 3.08Å; T220-S364 PolarHBondContact OG1-OG 2.91Å; S364-H366 PolarHBondContact O-N 3.23Å; S364-H366 VanDerWaalsContact O-N 3.15Å; S364-K367 PolarHBondContact O-N 3.22Å | ||
| 365 | T | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.1 | -38.8 | -178.3 | -37.1 | 0 | 0 | 0 | 0 | 111.2 | Q363 K367 L369 A371 A375 A412 | Q363-T365 PolarHBondContact O-N 2.92Å; T365-K367 VanDerWaalsContact C-N 3.28Å; T365-K367 PolarHBondContact O-N 3.41Å; T365-L369 HydrophobicContact CG2-CB 4.22Å; T365-L369 HydrophobicContact CG2-CD1 3.92Å; T365-L369 CarbonylContact O-C 3.58Å; T365-L369 WeakPolarHBondContact O-CA 3.41Å; T365-L369 VanDerWaalsContact O-CB 3.24Å; T365-L369 WeakPolarHBondContact O-CB 3.23Å; T365-L369 PolarHBondContact O-N 3.3Å; T365-L369 VanDerWaalsContact O-N 3.11Å; T365-A371 HydrophobicContact CG2-CB 3.64Å; T365-A375 PolarHBondContact N-O 3.15Å; T365-A412 HydrophobicContact CG2-CB 3.59Å |
| 366 | H | 98.2 | Very high | 98.4 | Very high | 56 Ų | 56 | 28.5 Ų | 28.5 | 26% | 0.259 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71.4 | -10.7 | -179.8 | 68.6 | -86.7 | 0 | 0 | 0 | 115.8 | S364 A371 L372 A375 | S364-H366 PolarHBondContact O-N 3.23Å; S364-H366 VanDerWaalsContact O-N 3.15Å; H366-A371 WeakPolarHBondContact CB-O 3.24Å; H366-L372 VanDerWaalsContact CB-O 3.3Å; H366-L372 WeakPolarHBondContact CB-O 3.36Å; H366-A375 HydrophobicContact CB-CB 4.39Å; H366-A375 PolarHBondContact ND1-O 2.77Å |
| 367 | K | 97.7 | Very high | 98.5 | Very high | 63 Ų | 63 | 24.9 Ų | 24.9 | 27% | 0.274 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -79.6 | -59.1 | -178.9 | -76.4 | -174.2 | -176.1 | -172.3 | 0 | 111.7 | A332 W333 S364 T365 | A332-K367 HydrophobicContact CB-CD 4.42Å; W333-K367 HydrophobicContact CD2-CD 4.13Å; W333-K367 HydrophobicContact CE3-CD 3.86Å; W333-K367 HydrophobicContact CH2-CD 3.92Å; W333-K367 HydrophobicContact CZ2-CD 4.17Å; W333-K367 HydrophobicContact CZ3-CB 4.38Å; W333-K367 HydrophobicContact CZ3-CD 3.76Å; W333-K367 HydrophobicContact CZ3-CG 4.36Å; S364-K367 PolarHBondContact O-N 3.22Å; T365-K367 VanDerWaalsContact C-N 3.28Å; T365-K367 PolarHBondContact O-N 3.41Å |
| 368 | M | 97.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.02 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -119.2 | -2.2 | -172.3 | -66.2 | -69.3 | -71.2 | 0 | 0 | 113.9 | P335 Y336 V489 L536 | P335-M368 HydrophobicContact CG-CB 3.78Å; Y336-M368 HydrophobicContact CD1-CB 3.78Å; Y336-M368 HydrophobicContact CE1-CB 3.66Å; Y336-M368 HydrophobicContact CE1-CE 3.77Å; Y336-M368 HydrophobicContact CE1-CG 3.96Å; M368-V489 HydrophobicContact CE-CG2 4.2Å; M368-L536 HydrophobicContact CE-CB 4.19Å; M368-L536 HydrophobicContact SD-CB 3.81Å; M368-L536 HydrophobicContact SD-CD1 3.81Å; M368-L536 HydrophobicContact SD-CG 4.3Å |
| 369 | L | 98.1 | Very high | 98.5 | Very high | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.068 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -112.6 | -174.6 | 167.2 | -49.8 | 175.3 | 0 | 0 | 0 | 110.1 | F208 P335 T365 L416 | F208-L369 HydrophobicContact CE1-CD1 4.17Å; F208-L369 HydrophobicContact CZ-CD1 3.92Å; P335-L369 HydrophobicContact CB-CD1 3.77Å; P335-L369 HydrophobicContact CB-CG 3.9Å; P335-L369 HydrophobicContact CG-CD1 4.16Å; P335-L369 HydrophobicContact CG-CD2 4.25Å; P335-L369 HydrophobicContact CG-CG 3.69Å; T365-L369 HydrophobicContact CG2-CB 4.22Å; T365-L369 HydrophobicContact CG2-CD1 3.92Å; T365-L369 CarbonylContact O-C 3.58Å; T365-L369 WeakPolarHBondContact O-CA 3.41Å; T365-L369 VanDerWaalsContact O-CB 3.24Å; T365-L369 WeakPolarHBondContact O-CB 3.23Å; T365-L369 PolarHBondContact O-N 3.3Å; T365-L369 VanDerWaalsContact O-N 3.11Å; L369-L416 HydrophobicContact CD1-CD1 3.44Å; L369-L416 VanDerWaalsContact CD1-CD1 3.44Å; L369-L416 HydrophobicContact CD2-CD1 3.56Å; L369-L416 HydrophobicContact CD2-CD2 4.22Å; L369-L416 HydrophobicContact CD2-CG 4.48Å; L369-L416 HydrophobicContact CG-CD1 4.03Å |
| 370 | A | 98.1 | Very high | 98.5 | Very high | 45 Ų | 45 | 22.9 Ų | 22.9 | 37% | 0.372 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -100.9 | 81.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A412 M415 I539 | A370-A412 WeakPolarHBondContact O-CB 3.39Å; A370-M415 HydrophobicContact CB-CE 3.81Å; A370-M415 HydrophobicContact CB-SD 3.86Å; A370-I539 HydrophobicContact CB-CD1 4.11Å |
| 371 | A | 98.6 | Very high | 98.5 | Very high | 21 Ų | 21 | 23.9 Ų | 23.9 | 17% | 0.174 | 13% | 0.134 | C | C | . | . | trans | -137.6 | 160.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T365 H366 A375 A412 | T365-A371 HydrophobicContact CG2-CB 3.64Å; H366-A371 WeakPolarHBondContact CB-O 3.24Å; A371-A375 HydrophobicContact CB-CB 3.6Å; A371-A412 HydrophobicContact CB-CB 4.23Å | ||
| 372 | L | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 24 Ų | 24 | 47% | 0.466 | 14% | 0.136 | S | C | . | . | trans | -67.7 | 148.3 | 177.5 | -65 | 177.7 | 0 | 0 | 0 | 110.8 | H366 A375 P404 I405 S408 | H366-L372 VanDerWaalsContact CB-O 3.3Å; H366-L372 WeakPolarHBondContact CB-O 3.36Å; L372-A375 WeakPolarHBondContact O-CB 3.29Å; L372-A375 PolarHBondContact O-N 3.17Å; L372-P404 HydrophobicContact CD1-CB 4.15Å; L372-I405 HydrophobicContact CB-CG1 4.39Å; L372-I405 HydrophobicContact CD1-CG1 4.41Å; L372-S408 PolarHBondContact N-OG 3.36Å | ||
| 373 | S | 98.4 | Very high | 98.3 | Very high | 88 Ų | 88 | 31.5 Ų | 31.5 | 62% | 0.615 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | 146.9 | 173.4 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | A375 | S373-A375 PolarHBondContact O-N 2.88Š|
| 374 | Q | 98.3 | Very high | 98.2 | Very high | 93 Ų | 93 | 33.8 Ų | 33.8 | 44% | 0.435 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -10 | -170.4 | -45.6 | 175 | -68.8 | 0 | 0 | 115.6 | T217 N218 G219 S376 I405 | T217-Q374 CarbonylContact C-O 3.6Å; T217-Q374 WeakPolarHBondContact O-CB 3.49Å; N218-Q374 PolarHBondContact N-O 3.43Å; G219-Q374 VanDerWaalsContact CA-O 3.29Å; G219-Q374 WeakPolarHBondContact CA-O 3.22Å; G219-Q374 PolarHBondContact N-O 3.24Å; Q374-S376 PolarHBondContact O-N 3.2Å; Q374-I405 HydrophobicContact CB-CD1 4.3Å |
| 375 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -61.9 | 125 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T365 H366 A371 L372 S373 I405 V409 | T365-A375 PolarHBondContact N-O 3.15Å; H366-A375 HydrophobicContact CB-CB 4.39Å; H366-A375 PolarHBondContact ND1-O 2.77Å; A371-A375 HydrophobicContact CB-CB 3.6Å; L372-A375 WeakPolarHBondContact O-CB 3.29Å; L372-A375 PolarHBondContact O-N 3.17Å; S373-A375 PolarHBondContact O-N 2.88Å; A375-I405 HydrophobicContact CB-CG2 4.13Å; A375-V409 HydrophobicContact CB-CG2 3.41Å; A375-V409 VanDerWaalsContact CB-CG2 3.41Å | ||
| 376 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 157.4 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | V216 G219 T220 S223 Q363 Q374 | V216-S376 PolarHBondContact N-O 3.38Å; V216-S376 PolarHBondContact O-N 3.47Å; G219-S376 VanDerWaalsContact C-CB 3.43Å; T220-S376 WeakPolarHBondContact CA-OG 3.38Å; T220-S376 PolarHBondContact N-OG 3.44Å; T220-S376 PolarHBondContact OG1-OG 3.11Å; S223-S376 WeakPolarHBondContact OG-CB 3.33Å; S223-S376 PolarHBondContact OG-OG 3.27Å; Q363-S376 CarbonylContact O-C 3.59Å; Q363-S376 WeakPolarHBondContact O-CA 3.31Å; Q363-S376 WeakPolarHBondContact O-CB 3.3Å; Q363-S376 PolarHBondContact O-OG 2.99Å; Q374-S376 PolarHBondContact O-N 3.2Å |
| 377 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.4 | 175.3 | -68.2 | 167 | 0 | 0 | 0 | 110.3 | I204 F208 Y214 I215 T362 Q363 V409 | I204-L377 HydrophobicContact CD1-CD2 4.16Å; I204-L377 HydrophobicContact CG2-CD1 3.84Å; I204-L377 HydrophobicContact CG2-CD2 3.75Å; I204-L377 HydrophobicContact CG2-CG 4.41Å; F208-L377 HydrophobicContact CE1-CD1 4.34Å; F208-L377 HydrophobicContact CE2-CD1 4.25Å; F208-L377 HydrophobicContact CZ-CD1 4.07Å; Y214-L377 WeakPolarHBondContact O-CA 3.4Å; I215-L377 HydrophobicContact CG1-CD2 4.24Å; T362-L377 WeakPolarHBondContact CA-O 3.37Å; Q363-L377 HydrophobicContact CB-CB 4.48Å; Q363-L377 PolarHBondContact N-O 3.16Å; Q363-L377 PolarHBondContact O-N 3.15Å; L377-V409 HydrophobicContact CD1-CG1 4.13Å; L377-V409 HydrophobicContact CD2-CG1 3.4Å; L377-V409 VanDerWaalsContact CD2-CG1 3.4Å; L377-V409 HydrophobicContact CG-CG1 3.82Å |
| 378 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.2 | 158.6 | -55.4 | 165.6 | 0 | 0 | 0 | 106.6 | S213 Y214 V216 I226 V227 F360 E361 T362 I380 F389 | S213-I378 CarbonylContact C-O 3.57Å; S213-I378 WeakPolarHBondContact CA-O 3.33Å; Y214-I378 PolarHBondContact N-O 2.92Å; Y214-I378 PolarHBondContact O-N 2.86Å; Y214-I378 VanDerWaalsContact O-N 3.07Å; V216-I378 HydrophobicContact CG2-CD1 3.82Å; V216-I378 HydrophobicContact CG2-CG1 4Å; I226-I378 HydrophobicContact CB-CD1 3.94Å; I226-I378 HydrophobicContact CD1-CD1 4.13Å; I226-I378 HydrophobicContact CG2-CD1 3.74Å; V227-I378 HydrophobicContact CG2-CD1 4.21Å; V227-I378 HydrophobicContact CG2-CG1 4.33Å; V227-I378 HydrophobicContact CG2-CG2 3.65Å; F360-I378 HydrophobicContact CD1-CG2 4.26Å; E361-I378 CarbonylContact O-C 3.47Å; E361-I378 WeakPolarHBondContact O-CA 3.41Å; T362-I378 HydrophobicContact CG2-CG1 4.25Å; I378-I380 HydrophobicContact CG2-CG1 4.25Å; I378-F389 HydrophobicContact CD1-CZ 4.02Å; I378-F389 HydrophobicContact CG2-CZ 4.05Å |
| 379 | H | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.1 | 173.2 | -59.4 | -58 | 0 | 0 | 0 | 109.8 | F208 A210 S213 M349 F360 E361 Q363 | F208-H379 AromaticContact CD1-CE1 3.77Å; F208-H379 AromaticContact CD1-NE2 3.44Å; F208-H379 WeakPolarHBondContact CD1-NE2 3.41Å; F208-H379 AromaticContact CG-CE1 3.58Å; F208-H379 AromaticContact CG-NE2 3.75Å; A210-H379 HydrophobicContact CB-CB 3.74Å; S213-H379 PolarHBondContact OG-ND1 3.42Å; M349-H379 HydrophobicContact CE-CB 4.36Å; M349-H379 HydrophobicContact CG-CB 3.87Å; M349-H379 HydrophobicContact SD-CB 3.76Å; F360-H379 CarbonylContact C-O 3.59Å; F360-H379 WeakPolarHBondContact CA-O 3.35Å; E361-H379 HydrophobicContact CB-CB 4.22Å; E361-H379 PolarHBondContact N-O 2.8Å; E361-H379 PolarHBondContact O-N 3.25Å; Q363-H379 PolarHBondContact NE2-CD2 3.37Å; Q363-H379 PolarHBondContact OE1-NE2 3.18Å |
| 380 | I | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.6 | -177.9 | -47.5 | 179.9 | 0 | 0 | 0 | 109.1 | E211 Q212 Y214 V358 F360 I378 Y384 F389 | E211-I380 PolarHBondContact N-O 2.99Å; Q212-I380 HydrophobicContact CB-CB 4.44Å; Q212-I380 PolarHBondContact N-O 2.97Å; Q212-I380 PolarHBondContact O-N 3.23Å; Y214-I380 HydrophobicContact CD2-CD1 4.01Å; Y214-I380 HydrophobicContact CE2-CD1 3.68Å; V358-I380 HydrophobicContact CG2-CG2 3.72Å; F360-I380 HydrophobicContact CD1-CB 4.45Å; F360-I380 HydrophobicContact CD1-CD1 4.37Å; F360-I380 HydrophobicContact CD1-CG1 3.81Å; F360-I380 HydrophobicContact CD1-CG2 4.28Å; F360-I380 HydrophobicContact CE1-CB 4.38Å; F360-I380 HydrophobicContact CE1-CD1 3.86Å; F360-I380 HydrophobicContact CE1-CG1 3.76Å; F360-I380 HydrophobicContact CE1-CG2 3.89Å; F360-I380 HydrophobicContact CZ-CG2 4.49Å; I378-I380 HydrophobicContact CG2-CG1 4.25Å; I380-Y384 HydrophobicContact CD1-CD1 4.34Å; I380-Y384 HydrophobicContact CD1-CD2 4.22Å; I380-Y384 HydrophobicContact CD1-CE1 4Å; I380-Y384 HydrophobicContact CD1-CE2 3.85Å; I380-Y384 HydrophobicContact CD1-CG 4.46Å; I380-Y384 HydrophobicContact CG2-CD1 3.74Å; I380-Y384 HydrophobicContact CG2-CE1 4.05Å; I380-Y384 HydrophobicContact CG2-CG 4.28Å; I380-F389 HydrophobicContact CD1-CD1 4.35Å; I380-F389 HydrophobicContact CD1-CD2 4.41Å; I380-F389 HydrophobicContact CD1-CE1 4.04Å; I380-F389 HydrophobicContact CD1-CE2 4.11Å; I380-F389 HydrophobicContact CD1-CZ 3.91Å |
| 381 | K | 98.3 | Very high | 98.3 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 115.8 | 170.8 | 179.8 | 168.1 | -69.6 | -177.4 | 0 | 109.4 | G209 E211 M349 G351 R353 I359 | G209-K381 WeakPolarHBondContact O-CE 3.17Å; G209-K381 PolarHBondContact O-NZ 2.97Å; E211-K381 HydrophobicContact CG-CG 4.28Å; M349-K381 HydrophobicContact CE-CB 3.86Å; M349-K381 PolarHBondContact O-NZ 3.48Å; M349-K381 HydrophobicContact SD-CB 3.94Å; G351-K381 PolarHBondContact O-NZ 2.93Å; R353-K381 HydrophobicContact CB-CG 4.45Å; I359-K381 PolarHBondContact N-O 2.91Å; I359-K381 PolarHBondContact O-N 3.34Å |
| 382 | G | 97.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 119.5 | 173.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E211 | E211-G382 PolarHBondContact OE2-N 2.9Š|
| 383 | E | 96.3 | Very high | 98.3 | Very high | 158 Ų | 158 | 45.9 Ų | 45.9 | 74% | 0.738 | 24% | 0.235 | S | C | * | . | trans | -81.1 | 137.9 | -177.9 | -61.8 | -179.6 | 176.6 | 0 | 0 | 111.1 | R353 | R353-E383 VanDerWaalsContact NH1-CG 3.34Å; R353-E383 IonicContact NH1-OE1 3.17Å; R353-E383 PolarHBondContact NH1-OE1 3.4Å | ||
| 384 | Y | 97.6 | Very high | 98.3 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | trans | -150.7 | 160.8 | 179.2 | 75.2 | -77.1 | 0 | 0 | 0 | 109.6 | Q212 Y214 Y230 I380 E386 F389 | Q212-Y384 HydrophobicContact CB-CE1 4.43Å; Q212-Y384 WeakPolarHBondContact CG-OH 3.23Å; Y214-Y384 HydrophobicContact CE2-CE2 4.49Å; Y214-Y384 PolarHBondContact OH-OH 3.11Å; Y214-Y384 VanDerWaalsContact OH-OH 3.05Å; Y230-Y384 WeakPolarHBondContact OH-CA 3.49Å; Y230-Y384 WeakPolarHBondContact OH-CB 3.42Å; I380-Y384 HydrophobicContact CD1-CD1 4.34Å; I380-Y384 HydrophobicContact CD1-CD2 4.22Å; I380-Y384 HydrophobicContact CD1-CE1 4Å; I380-Y384 HydrophobicContact CD1-CE2 3.85Å; I380-Y384 HydrophobicContact CD1-CG 4.46Å; I380-Y384 HydrophobicContact CG2-CD1 3.74Å; I380-Y384 HydrophobicContact CG2-CE1 4.05Å; I380-Y384 HydrophobicContact CG2-CG 4.28Å; Y384-E386 HydrophobicContact CE2-CB 4.14Å; Y384-E386 HydrophobicContact CE2-CG 4.38Å; Y384-E386 PolarHBondContact O-N 3.01Å; Y384-F389 HydrophobicContact CD2-CB 3.67Å; Y384-F389 HydrophobicContact CD2-CD2 4.28Å; Y384-F389 AromaticContact CD2-CG 3.99Å; Y384-F389 HydrophobicContact CD2-CG 3.99Å; Y384-F389 HydrophobicContact CE2-CB 3.68Å; Y384-F389 HydrophobicContact CE2-CD1 4.2Å; Y384-F389 AromaticContact CE2-CG 3.88Å; Y384-F389 HydrophobicContact CE2-CG 3.88Å | ||
| 385 | D | 98.1 | Very high | 98.3 | Very high | 87 Ų | 87 | 46.3 Ų | 46.3 | 47% | 0.465 | 23% | 0.229 | S | C | . | . | trans | -81.9 | 105 | 173.5 | -177.4 | -24.4 | 0 | 0 | 0 | 108.8 | Y230 E387 A388 F389 | Y230-D385 HydrophobicContact CE2-CB 4.3Å; Y230-D385 PolarHBondContact OH-N 3.29Å; D385-E387 PolarHBondContact OD1-N 2.98Å; D385-E387 VanDerWaalsContact OD1-N 3.16Å; D385-A388 HydrophobicContact CB-CB 3.96Å; D385-A388 VanDerWaalsContact CG-CB 3.48Å; D385-A388 PolarHBondContact OD1-N 2.84Å; D385-F389 VanDerWaalsContact O-CB 3.25Å; D385-F389 WeakPolarHBondContact O-CB 3.41Å; D385-F389 PolarHBondContact O-N 3.2Å | ||
| 386 | E | 97.7 | Very high | 98.3 | Very high | 114 Ų | 114 | 48.1 Ų | 48.1 | 53% | 0.533 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -39.7 | -175.8 | -172 | 179.1 | 167.9 | 0 | 0 | 112.7 | Y384 F389 N390 | Y384-E386 HydrophobicContact CE2-CB 4.14Å; Y384-E386 HydrophobicContact CE2-CG 4.38Å; Y384-E386 PolarHBondContact O-N 3.01Å; E386-F389 PolarHBondContact O-N 2.83Å; E386-N390 WeakPolarHBondContact O-CB 3.41Å; E386-N390 PolarHBondContact O-N 3.45Å |
| 387 | E | 98 | Very high | 98.3 | Very high | 164 Ų | 164 | 48.8 Ų | 48.8 | 77% | 0.766 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.5 | -47.8 | 179.8 | -67.3 | -176.3 | -177.8 | 0 | 0 | 110.2 | D385 F389 N390 E391 | D385-E387 PolarHBondContact OD1-N 2.98Å; D385-E387 VanDerWaalsContact OD1-N 3.16Å; E387-F389 VanDerWaalsContact C-N 3.34Å; E387-F389 PolarHBondContact O-N 3.4Å; E387-N390 PolarHBondContact O-N 3.27Å; E387-E391 PolarHBondContact O-N 3.3Å |
| 388 | A | 98.3 | Very high | 98.3 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 35% | 0.347 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y230 D385 E391 A392 | Y230-A388 HydrophobicContact CD2-CB 4.41Å; Y230-A388 HydrophobicContact CE2-CB 4.17Å; D385-A388 HydrophobicContact CB-CB 3.96Å; D385-A388 VanDerWaalsContact CG-CB 3.48Å; D385-A388 PolarHBondContact OD1-N 2.84Å; A388-E391 PolarHBondContact O-N 3.32Å; A388-A392 PolarHBondContact O-N 2.83Å |
| 389 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 175.1 | -171.1 | -85.3 | 0 | 0 | 0 | 111.6 | Y214 I226 V227 Y230 F360 I378 I380 Y384 D385 E386 E387 E391 A392 F393 | Y214-F389 HydrophobicContact CD1-CD1 4.36Å; Y214-F389 AromaticContact CD1-CE1 3.99Å; Y214-F389 HydrophobicContact CD1-CE1 3.99Å; Y214-F389 HydrophobicContact CD2-CD1 4.22Å; Y214-F389 AromaticContact CD2-CE1 3.6Å; Y214-F389 HydrophobicContact CD2-CE1 3.6Å; Y214-F389 HydrophobicContact CD2-CZ 4.43Å; Y214-F389 AromaticContact CE1-CD1 3.86Å; Y214-F389 HydrophobicContact CE1-CD1 3.86Å; Y214-F389 AromaticContact CE1-CE1 3.95Å; Y214-F389 HydrophobicContact CE1-CE1 3.95Å; Y214-F389 AromaticContact CE2-CD1 3.69Å; Y214-F389 HydrophobicContact CE2-CD1 3.69Å; Y214-F389 AromaticContact CE2-CE1 3.54Å; Y214-F389 HydrophobicContact CE2-CE1 3.54Å; Y214-F389 AromaticContact CG-CE1 3.85Å; Y214-F389 HydrophobicContact CG-CE1 3.85Å; Y214-F389 AromaticContact CZ-CD1 3.5Å; Y214-F389 AromaticContact CZ-CE1 3.75Å; I226-F389 HydrophobicContact CG2-CE1 4.18Å; I226-F389 HydrophobicContact CG2-CE2 4.39Å; I226-F389 HydrophobicContact CG2-CZ 3.88Å; V227-F389 HydrophobicContact CG2-CE2 4.43Å; V227-F389 HydrophobicContact CG2-CZ 4.5Å; Y230-F389 AromaticContact CD1-CD2 3.73Å; Y230-F389 HydrophobicContact CD1-CD2 3.73Å; Y230-F389 HydrophobicContact CD1-CE2 4.31Å; Y230-F389 HydrophobicContact CD2-CB 3.84Å; Y230-F389 AromaticContact CD2-CD2 3.93Å; Y230-F389 HydrophobicContact CD2-CD2 3.93Å; Y230-F389 HydrophobicContact CD2-CG 4.37Å; Y230-F389 HydrophobicContact CE1-CD2 4.21Å; Y230-F389 HydrophobicContact CE2-CB 3.94Å; Y230-F389 HydrophobicContact CE2-CD2 4.38Å; Y230-F389 HydrophobicContact CG-CB 4.38Å; Y230-F389 AromaticContact CG-CD2 3.59Å; Y230-F389 HydrophobicContact CG-CD2 3.59Å; Y230-F389 HydrophobicContact CG-CE2 4.36Å; Y230-F389 HydrophobicContact CG-CG 4.43Å; F360-F389 HydrophobicContact CD1-CE2 4.43Å; F360-F389 HydrophobicContact CE1-CD2 4.28Å; F360-F389 AromaticContact CE1-CE2 3.7Å; F360-F389 HydrophobicContact CE1-CE2 3.7Å; F360-F389 HydrophobicContact CE1-CZ 4.48Å; F360-F389 HydrophobicContact CZ-CE2 4.39Å; I378-F389 HydrophobicContact CD1-CZ 4.02Å; I378-F389 HydrophobicContact CG2-CZ 4.05Å; I380-F389 HydrophobicContact CD1-CD1 4.35Å; I380-F389 HydrophobicContact CD1-CD2 4.41Å; I380-F389 HydrophobicContact CD1-CE1 4.04Å; I380-F389 HydrophobicContact CD1-CE2 4.11Å; I380-F389 HydrophobicContact CD1-CZ 3.91Å; Y384-F389 HydrophobicContact CD2-CB 3.67Å; Y384-F389 HydrophobicContact CD2-CD2 4.28Å; Y384-F389 AromaticContact CD2-CG 3.99Å; Y384-F389 HydrophobicContact CD2-CG 3.99Å; Y384-F389 HydrophobicContact CE2-CB 3.68Å; Y384-F389 HydrophobicContact CE2-CD1 4.2Å; Y384-F389 AromaticContact CE2-CG 3.88Å; Y384-F389 HydrophobicContact CE2-CG 3.88Å; D385-F389 VanDerWaalsContact O-CB 3.25Å; D385-F389 WeakPolarHBondContact O-CB 3.41Å; D385-F389 PolarHBondContact O-N 3.2Å; E386-F389 PolarHBondContact O-N 2.83Å; E387-F389 VanDerWaalsContact C-N 3.34Å; E387-F389 PolarHBondContact O-N 3.4Å; F389-E391 VanDerWaalsContact C-N 3.32Å; F389-E391 PolarHBondContact O-N 3.5Å; F389-A392 WeakPolarHBondContact O-CB 3.3Å; F389-A392 PolarHBondContact O-N 3.31Å; F389-F393 PolarHBondContact O-N 3.08Å |
| 390 | N | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.16 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -37 | 177 | -167.8 | 27.5 | 0 | 0 | 0 | 111.9 | L191 H193 E386 E387 A392 F393 M394 | L191-N390 PolarHBondContact O-ND2 3.14Å; H193-N390 PolarHBondContact NE2-OD1 2.94Å; E386-N390 WeakPolarHBondContact O-CB 3.41Å; E386-N390 PolarHBondContact O-N 3.45Å; E387-N390 PolarHBondContact O-N 3.27Å; N390-A392 PolarHBondContact O-N 3.42Å; N390-F393 WeakPolarHBondContact O-CB 3.33Å; N390-F393 PolarHBondContact O-N 2.84Å; N390-F393 VanDerWaalsContact O-N 3.16Å; N390-M394 WeakPolarHBondContact O-CB 3.48Å; N390-M394 WeakPolarHBondContact O-CG 3.44Å; N390-M394 PolarHBondContact O-N 3.05Å |
| 391 | E | 98.6 | Very high | 98.1 | Very high | 107 Ų | 107 | 61.2 Ų | 61.2 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 171 | -74.5 | -64.4 | 157.7 | 0 | 0 | 111.7 | E387 A388 F389 F393 M394 M395 | E387-E391 PolarHBondContact O-N 3.3Å; A388-E391 PolarHBondContact O-N 3.32Å; F389-E391 VanDerWaalsContact C-N 3.32Å; F389-E391 PolarHBondContact O-N 3.5Å; E391-F393 VanDerWaalsContact C-N 3.3Å; E391-F393 PolarHBondContact O-N 3.3Å; E391-M394 PolarHBondContact O-N 2.93Å; E391-M395 VanDerWaalsContact O-CG 3.29Å; E391-M395 WeakPolarHBondContact O-CG 3.21Å; E391-M395 PolarHBondContact O-N 3.4Å |
| 392 | A | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I226 A388 F389 N390 H396 | I226-A392 HydrophobicContact CG2-CB 4.44Å; A388-A392 PolarHBondContact O-N 2.83Å; F389-A392 WeakPolarHBondContact O-CB 3.3Å; F389-A392 PolarHBondContact O-N 3.31Å; N390-A392 PolarHBondContact O-N 3.42Å; A392-H396 PolarHBondContact O-CD2 2.79Å |
| 393 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 174.5 | 174.4 | -99 | 0 | 0 | 0 | 111.6 | L190 H193 Y214 I215 V216 I226 F389 N390 E391 M395 H396 T397 | L190-F393 HydrophobicContact CG-CZ 4.29Å; H193-F393 AromaticContact CE1-CE1 3.84Å; H193-F393 AromaticContact NE2-CD1 3.91Å; H193-F393 AromaticContact NE2-CE1 4Å; Y214-F393 HydrophobicContact CD1-CD1 4.47Å; Y214-F393 AromaticContact CD1-CD2 3.88Å; Y214-F393 HydrophobicContact CD1-CD2 3.88Å; Y214-F393 HydrophobicContact CD1-CE2 4.18Å; Y214-F393 HydrophobicContact CD1-CG 4.05Å; Y214-F393 HydrophobicContact CG-CD2 4.46Å; I215-F393 WeakPolarHBondContact O-CE2 3.44Å; I215-F393 WeakPolarHBondContact O-CZ 3.39Å; V216-F393 HydrophobicContact CG2-CD2 4.47Å; V216-F393 HydrophobicContact CG2-CE2 4.03Å; I226-F393 HydrophobicContact CD1-CD2 3.94Å; I226-F393 HydrophobicContact CG2-CB 4.14Å; F389-F393 PolarHBondContact O-N 3.08Å; N390-F393 WeakPolarHBondContact O-CB 3.33Å; N390-F393 PolarHBondContact O-N 2.84Å; N390-F393 VanDerWaalsContact O-N 3.16Å; E391-F393 VanDerWaalsContact C-N 3.3Å; E391-F393 PolarHBondContact O-N 3.3Å; F393-M395 PolarHBondContact O-N 3.37Å; F393-H396 PolarHBondContact O-N 3.24Å; F393-T397 HydrophobicContact CE1-CG2 4.2Å; F393-T397 HydrophobicContact CZ-CG2 4.05Å; F393-T397 WeakPolarHBondContact O-CB 3.35Å; F393-T397 PolarHBondContact O-N 2.79Å; F393-T397 PolarHBondContact O-OG1 3.49Å |
| 394 | M | 98.5 | Very high | 98.1 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 28% | 0.281 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.6 | -32.4 | 179.7 | -70.8 | -169.6 | -69.2 | 0 | 0 | 113 | L191 N390 E391 H396 T397 | L191-M394 HydrophobicContact CB-CG 4.32Å; L191-M394 HydrophobicContact CB-SD 4.41Å; L191-M394 HydrophobicContact CD2-CG 4.3Å; L191-M394 HydrophobicContact CG-CG 4.2Å; N390-M394 WeakPolarHBondContact O-CB 3.48Å; N390-M394 WeakPolarHBondContact O-CG 3.44Å; N390-M394 PolarHBondContact O-N 3.05Å; E391-M394 PolarHBondContact O-N 2.93Å; M394-H396 PolarHBondContact O-N 2.77Å; M394-H396 VanDerWaalsContact O-N 3.08Å; M394-T397 PolarHBondContact O-N 3.02Å |
| 395 | M | 98.4 | Very high | 98.2 | Very high | 132 Ų | 132 | 54 Ų | 54 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24.4 | 173.7 | -76.4 | -178.8 | -160.9 | 0 | 0 | 113.4 | E391 F393 | E391-M395 VanDerWaalsContact O-CG 3.29Å; E391-M395 WeakPolarHBondContact O-CG 3.21Å; E391-M395 PolarHBondContact O-N 3.4Å; F393-M395 PolarHBondContact O-N 3.37Å |
| 396 | H | 98.5 | Very high | 98.2 | Very high | 39 Ų | 39 | 49.9 Ų | 49.9 | 18% | 0.181 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -9.5 | -173.5 | -76.6 | -51.5 | 0 | 0 | 0 | 114.7 | T222 I226 M229 A392 F393 M394 | T222-H396 HydrophobicContact CG2-CB 3.65Å; I226-H396 HydrophobicContact CD1-CB 4.01Å; I226-H396 HydrophobicContact CG1-CB 3.63Å; M229-H396 WeakPolarHBondContact CE-NE2 3.27Å; M229-H396 PolarHBondContact SD-NE2 3.05Å; A392-H396 PolarHBondContact O-CD2 2.79Å; F393-H396 PolarHBondContact O-N 3.24Å; M394-H396 PolarHBondContact O-N 2.77Å; M394-H396 VanDerWaalsContact O-N 3.08Å |
| 397 | T | 98.3 | Very high | 98.2 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -101.6 | 132.3 | -178.2 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | L190 L191 F393 M394 | L190-T397 HydrophobicContact CD2-CG2 4.3Å; L191-T397 HydrophobicContact CD1-CG2 3.87Å; F393-T397 HydrophobicContact CE1-CG2 4.2Å; F393-T397 HydrophobicContact CZ-CG2 4.05Å; F393-T397 WeakPolarHBondContact O-CB 3.35Å; F393-T397 PolarHBondContact O-N 2.79Å; F393-T397 PolarHBondContact O-OG1 3.49Å; M394-T397 PolarHBondContact O-N 3.02Å |
| 398 | T | 98.1 | Very high | 98.3 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | trans | -64.4 | 141.9 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L191 S400 P401 | L191-T398 WeakPolarHBondContact CD1-O 3.37Å; T398-S400 PolarHBondContact O-N 3.4Å; T398-S400 VanDerWaalsContact O-N 3.13Å; T398-S400 PolarHBondContact OG1-N 2.88Å; T398-P401 HydrophobicContact CG2-CB 4.26Å; T398-P401 WeakPolarHBondContact O-CD 3.09Å | ||
| 399 | T | 97 | Very high | 98.2 | Very high | 105 Ų | 105 | 35.9 Ų | 35.9 | 64% | 0.644 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -69.4 | -3.4 | 173.4 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | L191 | L191-T399 HydrophobicContact CD2-CG2 4.11Š|
| 400 | S | 97.7 | Very high | 98.2 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -132.9 | 72.4 | 173.9 | -61.4 | 0 | 0 | 0 | 0 | 109.7 | T398 | T398-S400 PolarHBondContact O-N 3.4Å; T398-S400 VanDerWaalsContact O-N 3.13Å; T398-S400 PolarHBondContact OG1-N 2.88Å |
| 401 | P | 97.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.039 | 21% | 0.211 | C | C | . | . | trans | -70.5 | 149.5 | -178.8 | 30.2 | -33.8 | 0 | 0 | 0 | 110.9 | L190 T217 T398 Y403 | L190-P401 HydrophobicContact CB-CG 4.05Å; L190-P401 HydrophobicContact CD2-CB 3.62Å; L190-P401 HydrophobicContact CD2-CG 3.72Å; T217-P401 HydrophobicContact CG2-CB 4.09Å; T398-P401 HydrophobicContact CG2-CB 4.26Å; T398-P401 WeakPolarHBondContact O-CD 3.09Å; P401-Y403 HydrophobicContact CG-CD1 4.38Å; P401-Y403 HydrophobicContact CG-CE1 4Å; P401-Y403 WeakPolarHBondContact O-CD1 3.26Å; P401-Y403 PolarHBondContact O-N 3.37Å | ||
| 402 | S | 97.5 | Very high | 98.2 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | trans | -76.3 | 108.5 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | P404 I405 V406 | S402-P404 VanDerWaalsContact C-N 3.35Å; S402-P404 WeakPolarHBondContact OG-CD 3.26Å; S402-I405 WeakPolarHBondContact O-CA 3.46Å; S402-I405 WeakPolarHBondContact O-CB 3.45Å; S402-I405 PolarHBondContact O-N 2.95Å; S402-V406 PolarHBondContact O-N 3.49Å | ||
| 403 | Y | 97.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -32 | -179.4 | -77.2 | 19.7 | 0 | 0 | 0 | 113.9 | F132 L136 V180 I182 L187 H197 P401 I405 V406 A407 | F132-Y403 HydrophobicContact CE2-CD2 4.2Å; F132-Y403 HydrophobicContact CE2-CE2 4.35Å; F132-Y403 HydrophobicContact CZ-CD1 4.4Å; F132-Y403 AromaticContact CZ-CD2 3.73Å; F132-Y403 HydrophobicContact CZ-CD2 3.73Å; F132-Y403 HydrophobicContact CZ-CE2 4.3Å; F132-Y403 AromaticContact CZ-CG 3.8Å; F132-Y403 HydrophobicContact CZ-CG 3.8Å; L136-Y403 HydrophobicContact CD1-CD2 4.42Å; V180-Y403 HydrophobicContact CG2-CD2 3.31Å; V180-Y403 HydrophobicContact CG2-CE2 3.71Å; V180-Y403 HydrophobicContact CG2-CG 4.15Å; I182-Y403 PolarHBondContact N-OH 3.15Å; L187-Y403 HydrophobicContact CB-CE2 3.98Å; L187-Y403 HydrophobicContact CD1-CD2 3.75Å; L187-Y403 HydrophobicContact CD1-CE2 3.64Å; L187-Y403 HydrophobicContact CG-CE2 4.45Å; H197-Y403 AromaticContact CE1-CE1 3.98Å; H197-Y403 AromaticContact CE1-CZ 3.62Å; H197-Y403 AromaticContact NE2-CE1 3.84Å; H197-Y403 AromaticContact NE2-CZ 3.97Å; P401-Y403 HydrophobicContact CG-CD1 4.38Å; P401-Y403 HydrophobicContact CG-CE1 4Å; P401-Y403 WeakPolarHBondContact O-CD1 3.26Å; P401-Y403 PolarHBondContact O-N 3.37Å; Y403-I405 VanDerWaalsContact C-N 3.26Å; Y403-I405 PolarHBondContact O-N 3.21Å; Y403-V406 PolarHBondContact O-N 3.45Å; Y403-A407 WeakPolarHBondContact O-CB 3.37Å; Y403-A407 PolarHBondContact O-N 3.46Å |
| 404 | P | 98 | Very high | 98.2 | Very high | 27 Ų | 27 | 32.3 Ų | 32.3 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56 | -37.3 | 167 | -29.7 | 36.6 | 0 | 0 | 0 | 113.9 | A178 L372 S402 S408 | A178-P404 HydrophobicContact CB-CG 4.28Å; L372-P404 HydrophobicContact CD1-CB 4.15Å; S402-P404 VanDerWaalsContact C-N 3.35Å; S402-P404 WeakPolarHBondContact OG-CD 3.26Å; P404-S408 WeakPolarHBondContact O-CB 3.29Å; P404-S408 PolarHBondContact O-N 2.91Å |
| 405 | I | 98.6 | Very high | 98.1 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.4 | -46.7 | 176 | -60.3 | 179.5 | 0 | 0 | 0 | 109.9 | T217 L372 Q374 A375 S402 Y403 A407 S408 V409 | T217-I405 HydrophobicContact CG2-CG2 4.25Å; L372-I405 HydrophobicContact CB-CG1 4.39Å; L372-I405 HydrophobicContact CD1-CG1 4.41Å; Q374-I405 HydrophobicContact CB-CD1 4.3Å; A375-I405 HydrophobicContact CB-CG2 4.13Å; S402-I405 WeakPolarHBondContact O-CA 3.46Å; S402-I405 WeakPolarHBondContact O-CB 3.45Å; S402-I405 PolarHBondContact O-N 2.95Å; Y403-I405 VanDerWaalsContact C-N 3.26Å; Y403-I405 PolarHBondContact O-N 3.21Å; I405-A407 PolarHBondContact O-N 2.89Å; I405-S408 PolarHBondContact O-N 3.23Å; I405-S408 VanDerWaalsContact O-N 3.15Å; I405-S408 PolarHBondContact O-OG 3.17Å; I405-V409 WeakPolarHBondContact O-CG2 3.33Å; I405-V409 PolarHBondContact O-N 3.3Å; I405-V409 VanDerWaalsContact O-N 3.1Å |
| 406 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.7 | -49.8 | 176.8 | 180 | 0 | 0 | 0 | 0 | 111.1 | F132 L190 I215 T217 S402 Y403 S408 V409 E410 | F132-V406 HydrophobicContact CD1-CB 4.39Å; F132-V406 HydrophobicContact CD1-CG1 3.75Å; F132-V406 HydrophobicContact CE1-CB 3.73Å; F132-V406 HydrophobicContact CE1-CG1 3.49Å; F132-V406 VanDerWaalsContact CE1-CG1 3.49Å; F132-V406 HydrophobicContact CE2-CG1 4.41Å; F132-V406 HydrophobicContact CG-CG1 4.3Å; F132-V406 HydrophobicContact CZ-CB 4.11Å; F132-V406 HydrophobicContact CZ-CG1 3.85Å; L190-V406 HydrophobicContact CD2-CG2 4.09Å; I215-V406 HydrophobicContact CD1-CG1 4.03Å; I215-V406 HydrophobicContact CG2-CG1 4.3Å; I215-V406 HydrophobicContact CG2-CG2 4.41Å; T217-V406 HydrophobicContact CG2-CG2 3.73Å; S402-V406 PolarHBondContact O-N 3.49Å; Y403-V406 PolarHBondContact O-N 3.45Å; V406-S408 VanDerWaalsContact C-N 3.28Å; V406-S408 PolarHBondContact O-N 2.92Å; V406-V409 WeakPolarHBondContact O-CB 3.47Å; V406-V409 PolarHBondContact O-N 2.82Å; V406-V409 VanDerWaalsContact O-N 3.13Å; V406-E410 PolarHBondContact O-N 2.79Å; V406-E410 VanDerWaalsContact O-N 3.16Å |
| 407 | A | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.4 | -36.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F132 T133 L136 Y403 I405 V409 E410 T411 | F132-A407 HydrophobicContact CD1-CB 4.12Å; F132-A407 HydrophobicContact CE1-CB 3.94Å; T133-A407 HydrophobicContact CG2-CB 4.46Å; T133-A407 PolarHBondContact OG1-O 2.98Å; L136-A407 HydrophobicContact CD2-CB 3.8Å; Y403-A407 WeakPolarHBondContact O-CB 3.37Å; Y403-A407 PolarHBondContact O-N 3.46Å; I405-A407 PolarHBondContact O-N 2.89Å; A407-V409 VanDerWaalsContact C-N 3.33Å; A407-V409 PolarHBondContact O-N 3.37Å; A407-E410 PolarHBondContact O-N 2.8Å; A407-T411 WeakPolarHBondContact O-CB 3.48Å; A407-T411 PolarHBondContact O-N 2.66Å; A407-T411 PolarHBondContact O-OG1 2.96Å |
| 408 | S | 98.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -33.8 | 176.9 | 80.6 | 0 | 0 | 0 | 0 | 113 | L372 P404 I405 V406 A412 | L372-S408 PolarHBondContact N-OG 3.36Å; P404-S408 WeakPolarHBondContact O-CB 3.29Å; P404-S408 PolarHBondContact O-N 2.91Å; I405-S408 PolarHBondContact O-N 3.23Å; I405-S408 VanDerWaalsContact O-N 3.15Å; I405-S408 PolarHBondContact O-OG 3.17Å; V406-S408 VanDerWaalsContact C-N 3.28Å; V406-S408 PolarHBondContact O-N 2.92Å; S408-A412 WeakPolarHBondContact O-CB 3.26Å; S408-A412 PolarHBondContact O-N 2.93Å |
| 409 | V | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.6 | -50.1 | 175.9 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | I204 I215 A375 L377 I405 V406 A407 A412 A413 | I204-V409 HydrophobicContact CD1-CG1 4.03Å; I215-V409 HydrophobicContact CG1-CG1 4.22Å; I215-V409 HydrophobicContact CG2-CB 4.16Å; I215-V409 HydrophobicContact CG2-CG1 4.15Å; I215-V409 HydrophobicContact CG2-CG2 4.08Å; A375-V409 HydrophobicContact CB-CG2 3.41Å; A375-V409 VanDerWaalsContact CB-CG2 3.41Å; L377-V409 HydrophobicContact CD1-CG1 4.13Å; L377-V409 HydrophobicContact CD2-CG1 3.4Å; L377-V409 VanDerWaalsContact CD2-CG1 3.4Å; L377-V409 HydrophobicContact CG-CG1 3.82Å; I405-V409 WeakPolarHBondContact O-CG2 3.33Å; I405-V409 PolarHBondContact O-N 3.3Å; I405-V409 VanDerWaalsContact O-N 3.1Å; V406-V409 WeakPolarHBondContact O-CB 3.47Å; V406-V409 PolarHBondContact O-N 2.82Å; V406-V409 VanDerWaalsContact O-N 3.13Å; A407-V409 VanDerWaalsContact C-N 3.33Å; A407-V409 PolarHBondContact O-N 3.37Å; V409-A412 WeakPolarHBondContact O-CB 3.49Å; V409-A412 PolarHBondContact O-N 3.33Å; V409-A413 PolarHBondContact O-N 3.48Å; V409-A413 VanDerWaalsContact O-N 3.15Å |
| 410 | E | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 179.7 | -170.2 | -160.3 | -147.7 | 0 | 0 | 111.5 | P130 P131 F132 T133 A200 I204 V406 A407 A412 A413 A414 | P130-E410 VanDerWaalsContact CB-CD 3.41Å; P130-E410 HydrophobicContact CB-CG 3.64Å; P130-E410 HydrophobicContact CG-CB 4.47Å; P130-E410 HydrophobicContact CG-CG 3.73Å; P130-E410 WeakPolarHBondContact CG-OE2 3.47Å; P131-E410 VanDerWaalsContact CD-OE1 3.28Å; P131-E410 WeakPolarHBondContact CD-OE1 3.34Å; P131-E410 VanDerWaalsContact N-OE1 3.14Å; F132-E410 WeakPolarHBondContact CB-OE2 3.38Å; F132-E410 PolarHBondContact N-OE1 3.09Å; F132-E410 PolarHBondContact N-OE2 3.29Å; T133-E410 WeakPolarHBondContact CB-OE2 3.2Å; T133-E410 PolarHBondContact N-OE2 3.14Å; T133-E410 PolarHBondContact OG1-OE2 2.83Å; A200-E410 WeakPolarHBondContact CA-OE1 3.43Å; A200-E410 HydrophobicContact CB-CB 4.37Å; A200-E410 HydrophobicContact CB-CG 3.84Å; A200-E410 VanDerWaalsContact CB-OE1 3.23Å; A200-E410 WeakPolarHBondContact CB-OE1 3.4Å; I204-E410 HydrophobicContact CD1-CB 4.45Å; V406-E410 PolarHBondContact O-N 2.79Å; V406-E410 VanDerWaalsContact O-N 3.16Å; A407-E410 PolarHBondContact O-N 2.8Å; E410-A412 VanDerWaalsContact C-N 3.32Å; E410-A412 PolarHBondContact O-N 3.18Å; E410-A413 WeakPolarHBondContact O-CB 3.39Å; E410-A413 PolarHBondContact O-N 3.22Å; E410-A413 VanDerWaalsContact O-N 3.15Å; E410-A414 PolarHBondContact O-N 2.85Å |
| 411 | T | 98.6 | Very high | 96.3 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 29% | 0.288 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.8 | -38.5 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | T133 A407 A413 A414 M415 | T133-T411 PolarHBondContact OG1-OG1 3.5Å; A407-T411 WeakPolarHBondContact O-CB 3.48Å; A407-T411 PolarHBondContact O-N 2.66Å; A407-T411 PolarHBondContact O-OG1 2.96Å; T411-A413 VanDerWaalsContact C-N 3.29Å; T411-A413 PolarHBondContact O-N 2.9Å; T411-A414 PolarHBondContact O-N 3.43Å; T411-A414 VanDerWaalsContact O-N 3.15Å; T411-M415 WeakPolarHBondContact O-CG 3.47Å; T411-M415 PolarHBondContact O-N 3.02Å |
| 412 | A | 98.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -38.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T365 A370 A371 S408 V409 E410 M415 L416 | T365-A412 HydrophobicContact CG2-CB 3.59Å; A370-A412 WeakPolarHBondContact O-CB 3.39Å; A371-A412 HydrophobicContact CB-CB 4.23Å; S408-A412 WeakPolarHBondContact O-CB 3.26Å; S408-A412 PolarHBondContact O-N 2.93Å; V409-A412 WeakPolarHBondContact O-CB 3.49Å; V409-A412 PolarHBondContact O-N 3.33Å; E410-A412 VanDerWaalsContact C-N 3.32Å; E410-A412 PolarHBondContact O-N 3.18Å; A412-M415 PolarHBondContact O-N 2.96Å; A412-L416 WeakPolarHBondContact O-CD1 3.26Å; A412-L416 WeakPolarHBondContact O-CG 3.45Å; A412-L416 PolarHBondContact O-N 2.66Å |
| 413 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y203 I204 T207 F208 V409 E410 T411 M415 L416 R417 | Y203-A413 HydrophobicContact CD1-CB 4.22Å; Y203-A413 HydrophobicContact CE1-CB 4.1Å; I204-A413 HydrophobicContact CB-CB 4.5Å; I204-A413 HydrophobicContact CG1-CB 3.78Å; T207-A413 HydrophobicContact CG2-CB 4.27Å; T207-A413 WeakPolarHBondContact CG2-O 3.45Å; F208-A413 HydrophobicContact CD2-CB 4.45Å; F208-A413 HydrophobicContact CE2-CB 3.73Å; V409-A413 PolarHBondContact O-N 3.48Å; V409-A413 VanDerWaalsContact O-N 3.15Å; E410-A413 WeakPolarHBondContact O-CB 3.39Å; E410-A413 PolarHBondContact O-N 3.22Å; E410-A413 VanDerWaalsContact O-N 3.15Å; T411-A413 VanDerWaalsContact C-N 3.29Å; T411-A413 PolarHBondContact O-N 2.9Å; A413-M415 VanDerWaalsContact C-N 3.29Å; A413-M415 PolarHBondContact O-N 3.47Å; A413-L416 PolarHBondContact O-N 2.53Å; A413-R417 PolarHBondContact O-N 3.33Å |
| 414 | A | 97.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 32.5 Ų | 32.5 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -37.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P130 Y203 E410 T411 L416 R417 | P130-A414 HydrophobicContact CB-CB 4.09Å; P130-A414 HydrophobicContact CG-CB 3.78Å; Y203-A414 HydrophobicContact CE1-CB 4.17Å; Y203-A414 VanDerWaalsContact OH-CA 3.31Å; Y203-A414 WeakPolarHBondContact OH-CA 3.42Å; Y203-A414 WeakPolarHBondContact OH-CB 3.25Å; E410-A414 PolarHBondContact O-N 2.85Å; T411-A414 PolarHBondContact O-N 3.43Å; T411-A414 VanDerWaalsContact O-N 3.15Å; A414-L416 PolarHBondContact O-N 3.3Å; A414-R417 PolarHBondContact O-N 2.96Å |
| 415 | M | 97.4 | Very high | 95.6 | Very high | 75 Ų | 75 | 31.4 Ų | 31.4 | 37% | 0.369 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.2 | -25.8 | 174.7 | -72 | 176.3 | 63.2 | 0 | 0 | 113.4 | A370 T411 A412 A413 G421 L424 | A370-M415 HydrophobicContact CB-CE 3.81Å; A370-M415 HydrophobicContact CB-SD 3.86Å; T411-M415 WeakPolarHBondContact O-CG 3.47Å; T411-M415 PolarHBondContact O-N 3.02Å; A412-M415 PolarHBondContact O-N 2.96Å; A413-M415 VanDerWaalsContact C-N 3.29Å; A413-M415 PolarHBondContact O-N 3.47Å; M415-G421 WeakPolarHBondContact O-CA 3.29Å; M415-L424 HydrophobicContact CB-CD1 4.42Å; M415-L424 HydrophobicContact CE-CD1 4.32Å; M415-L424 WeakPolarHBondContact O-CD1 3.4Å |
| 416 | L | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -96.8 | -6.7 | -177.4 | -63.6 | 168 | 0 | 0 | 0 | 113.2 | F208 F339 L369 A412 A413 A414 I425 | F208-L416 HydrophobicContact CZ-CD1 4.04Å; F339-L416 HydrophobicContact CD1-CB 3.84Å; F339-L416 WeakPolarHBondContact CD1-O 3.32Å; F339-L416 HydrophobicContact CD2-CB 4.17Å; F339-L416 HydrophobicContact CD2-CD1 3.91Å; F339-L416 HydrophobicContact CD2-CD2 4.16Å; F339-L416 HydrophobicContact CD2-CG 4.29Å; F339-L416 HydrophobicContact CE1-CB 3.58Å; F339-L416 HydrophobicContact CE1-CD1 4.49Å; F339-L416 HydrophobicContact CE2-CB 3.97Å; F339-L416 HydrophobicContact CE2-CD1 3.39Å; F339-L416 HydrophobicContact CE2-CD2 4.46Å; F339-L416 HydrophobicContact CE2-CG 4.13Å; F339-L416 HydrophobicContact CG-CB 4.13Å; F339-L416 HydrophobicContact CG-CD2 4.42Å; F339-L416 HydrophobicContact CZ-CB 3.66Å; F339-L416 HydrophobicContact CZ-CD1 3.73Å; F339-L416 HydrophobicContact CZ-CG 4.27Å; L369-L416 HydrophobicContact CD1-CD1 3.44Å; L369-L416 VanDerWaalsContact CD1-CD1 3.44Å; L369-L416 HydrophobicContact CD2-CD1 3.56Å; L369-L416 HydrophobicContact CD2-CD2 4.22Å; L369-L416 HydrophobicContact CD2-CG 4.48Å; L369-L416 HydrophobicContact CG-CD1 4.03Å; A412-L416 WeakPolarHBondContact O-CD1 3.26Å; A412-L416 WeakPolarHBondContact O-CG 3.45Å; A412-L416 PolarHBondContact O-N 2.66Å; A413-L416 PolarHBondContact O-N 2.53Å; A414-L416 PolarHBondContact O-N 3.3Å; L416-I425 HydrophobicContact CD2-CD1 3.78Å; L416-I425 HydrophobicContact CD2-CG1 4.01Å |
| 417 | R | 93.4 | Very high | 95.3 | Very high | 107 Ų | 107 | 36.2 Ų | 36.2 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -78.8 | 141.8 | 178.4 | -166.9 | 173.8 | 177.8 | 178.4 | -4.5 | 111 | Y203 T207 A413 A414 | Y203-R417 VanDerWaalsContact OH-CD 3.22Å; Y203-R417 WeakPolarHBondContact OH-CD 3.46Å; T207-R417 HydrophobicContact CG2-CB 4.38Å; A413-R417 PolarHBondContact O-N 3.33Å; A414-R417 PolarHBondContact O-N 2.96Å |
| 418 | G | 89.5 | Confident | 95.2 | Very high | 23 Ų | 23 | 36 Ų | 36 | 24% | 0.237 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | 76.2 | -163.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E75 K422 | E75-G418 WeakPolarHBondContact OE1-CA 3.47Å; G418-K422 PolarHBondContact O-N 3.14Å |
| 419 | N | 90.3 | Very high | 95.2 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 178.8 | -62.3 | -29.3 | 0 | 0 | 0 | 113.3 | N71 Q72 E75 G421 K422 R423 | N71-N419 PolarHBondContact O-ND2 3.48Å; Q72-N419 WeakPolarHBondContact O-CB 3.43Å; E75-N419 PolarHBondContact OE1-N 3.33Å; E75-N419 VanDerWaalsContact OE2-CB 3.24Å; E75-N419 WeakPolarHBondContact OE2-CB 3.43Å; E75-N419 PolarHBondContact OE2-N 3.35Å; N419-G421 VanDerWaalsContact C-N 3.28Å; N419-G421 PolarHBondContact O-N 3.08Å; N419-K422 PolarHBondContact O-N 3.13Å; N419-R423 WeakPolarHBondContact O-CB 3.44Å; N419-R423 VanDerWaalsContact O-CG 3.29Å; N419-R423 WeakPolarHBondContact O-CG 3.39Å; N419-R423 PolarHBondContact O-N 3.07Å |
| 420 | P | 89.7 | Confident | 95.1 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -53.6 | -44.2 | 175.2 | -29.8 | 34.4 | 0 | 0 | 0 | 112.9 | N74 E75 R423 L424 | N74-P420 HydrophobicContact CB-CG 4.34Å; E75-P420 WeakPolarHBondContact OE2-CD 3.39Å; P420-R423 PolarHBondContact O-N 2.81Å; P420-L424 WeakPolarHBondContact O-CG 3.21Å; P420-L424 PolarHBondContact O-N 3.08Å |
| 421 | G | 91.1 | Very high | 95 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M415 N419 R423 L424 I425 | M415-G421 WeakPolarHBondContact O-CA 3.29Å; N419-G421 VanDerWaalsContact C-N 3.28Å; N419-G421 PolarHBondContact O-N 3.08Å; G421-R423 PolarHBondContact O-N 3.45Å; G421-L424 WeakPolarHBondContact O-CB 3.42Å; G421-L424 PolarHBondContact O-N 3.28Å; G421-L424 VanDerWaalsContact O-N 3.14Å; G421-I425 PolarHBondContact O-N 3.47Å |
| 422 | K | 91.9 | Very high | 95 | Very high | 128 Ų | 128 | 40.4 Ų | 40.4 | 56% | 0.557 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -56.2 | -41.9 | 174.4 | -69.9 | 178.9 | -179.5 | 177.1 | 0 | 111.5 | G418 N419 I425 N426 | G418-K422 PolarHBondContact O-N 3.14Å; N419-K422 PolarHBondContact O-N 3.13Å; K422-I425 PolarHBondContact O-N 3.5Å; K422-N426 WeakPolarHBondContact O-CB 3.38Å; K422-N426 PolarHBondContact O-N 2.77Å |
| 423 | R | 93 | Very high | 94.9 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 27% | 0.268 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 177.7 | -70.9 | 178 | 61.3 | 75.5 | 6.1 | 112.6 | E47 Q72 N419 P420 G421 I425 N426 R427 | E47-R423 IonicContact OE1-NH2 2.7Å; E47-R423 PolarHBondContact OE1-NH2 3.13Å; Q72-R423 WeakPolarHBondContact O-CD 3.34Å; N419-R423 WeakPolarHBondContact O-CB 3.44Å; N419-R423 VanDerWaalsContact O-CG 3.29Å; N419-R423 WeakPolarHBondContact O-CG 3.39Å; N419-R423 PolarHBondContact O-N 3.07Å; P420-R423 PolarHBondContact O-N 2.81Å; G421-R423 PolarHBondContact O-N 3.45Å; R423-I425 VanDerWaalsContact C-N 3.33Å; R423-I425 PolarHBondContact O-N 3.32Å; R423-N426 PolarHBondContact O-N 3.47Å; R423-R427 WeakPolarHBondContact O-CB 3.29Å; R423-R427 VanDerWaalsContact O-CG 3.26Å; R423-R427 WeakPolarHBondContact O-CG 3.4Å; R423-R427 PolarHBondContact O-N 2.86Å |
| 424 | L | 94.7 | Very high | 94.9 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 176.2 | -75.3 | 174.1 | 0 | 0 | 0 | 111.4 | M415 P420 G421 S428 I539 | M415-L424 HydrophobicContact CB-CD1 4.42Å; M415-L424 HydrophobicContact CE-CD1 4.32Å; M415-L424 WeakPolarHBondContact O-CD1 3.4Å; P420-L424 WeakPolarHBondContact O-CG 3.21Å; P420-L424 PolarHBondContact O-N 3.08Å; G421-L424 WeakPolarHBondContact O-CB 3.42Å; G421-L424 PolarHBondContact O-N 3.28Å; G421-L424 VanDerWaalsContact O-N 3.14Å; L424-S428 PolarHBondContact O-N 3.39Å; L424-I539 HydrophobicContact CB-CG2 4.29Å |
| 425 | I | 96.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.5 | -46.9 | 178.7 | -56.9 | -48.5 | 0 | 0 | 0 | 111.3 | F339 H340 L416 G421 K422 R423 R427 S428 V429 I539 | F339-I425 HydrophobicContact CB-CG1 3.83Å; H340-I425 HydrophobicContact CB-CG2 3.84Å; L416-I425 HydrophobicContact CD2-CD1 3.78Å; L416-I425 HydrophobicContact CD2-CG1 4.01Å; G421-I425 PolarHBondContact O-N 3.47Å; K422-I425 PolarHBondContact O-N 3.5Å; R423-I425 VanDerWaalsContact C-N 3.33Å; R423-I425 PolarHBondContact O-N 3.32Å; I425-R427 VanDerWaalsContact C-N 3.33Å; I425-R427 PolarHBondContact O-N 2.77Å; I425-S428 WeakPolarHBondContact O-CA 3.43Å; I425-S428 WeakPolarHBondContact O-CB 3.5Å; I425-S428 PolarHBondContact O-N 3.35Å; I425-V429 HydrophobicContact CG2-CG2 4.46Å; I425-V429 WeakPolarHBondContact O-CG2 3.42Å; I425-V429 PolarHBondContact O-N 3.11Å; I425-I539 HydrophobicContact CD1-CG2 3.61Å |
| 426 | N | 95.7 | Very high | 94.9 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.3 | -45.4 | 178.6 | -176.3 | 53.3 | 0 | 0 | 0 | 112 | H340 K422 R423 S428 V429 E430 | H340-N426 PolarHBondContact NE2-OD1 2.64Å; K422-N426 WeakPolarHBondContact O-CB 3.38Å; K422-N426 PolarHBondContact O-N 2.77Å; R423-N426 PolarHBondContact O-N 3.47Å; N426-S428 PolarHBondContact O-N 3.4Å; N426-V429 WeakPolarHBondContact O-CB 3.19Å; N426-V429 PolarHBondContact O-N 3.49Å; N426-V429 VanDerWaalsContact O-N 3.15Å; N426-E430 PolarHBondContact ND2-OE1 3.12Å; N426-E430 WeakPolarHBondContact O-CG 3.41Å; N426-E430 PolarHBondContact O-N 2.93Å |
| 427 | R | 94.5 | Very high | 95 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 22% | 0.219 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -31.2 | 176.6 | -70.1 | -179.5 | 178.4 | 168.6 | 6.5 | 112.7 | E47 R423 I425 R431 | E47-R427 VanDerWaalsContact CD-NH2 3.27Å; E47-R427 PolarHBondContact O-NH1 2.85Å; E47-R427 VanDerWaalsContact O-NH1 3.11Å; E47-R427 PolarHBondContact O-NH2 3.18Å; E47-R427 IonicContact OE1-CZ 3.72Å; E47-R427 VanDerWaalsContact OE1-CZ 3.31Å; E47-R427 IonicContact OE1-NE 3.77Å; E47-R427 PolarHBondContact OE1-NE 3.33Å; E47-R427 IonicContact OE1-NH2 3.33Å; E47-R427 PolarHBondContact OE1-NH2 2.97Å; R423-R427 WeakPolarHBondContact O-CB 3.29Å; R423-R427 VanDerWaalsContact O-CG 3.26Å; R423-R427 WeakPolarHBondContact O-CG 3.4Å; R423-R427 PolarHBondContact O-N 2.86Å; I425-R427 VanDerWaalsContact C-N 3.33Å; I425-R427 PolarHBondContact O-N 2.77Å; R427-R431 VanDerWaalsContact CB-NH1 3.29Å; R427-R431 WeakPolarHBondContact O-CB 3.26Å; R427-R431 VanDerWaalsContact O-CG 3.26Å; R427-R431 WeakPolarHBondContact O-CG 3.39Å; R427-R431 VanDerWaalsContact O-CZ 3.3Å; R427-R431 PolarHBondContact O-N 2.86Å; R427-R431 PolarHBondContact O-NH1 3.29Å |
| 428 | S | 97 | Very high | 95.1 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | 174.8 | -139.7 | 0 | 0 | 0 | 0 | 111.1 | L424 I425 N426 R431 A432 F537 S538 I539 | L424-S428 PolarHBondContact O-N 3.39Å; I425-S428 WeakPolarHBondContact O-CA 3.43Å; I425-S428 WeakPolarHBondContact O-CB 3.5Å; I425-S428 PolarHBondContact O-N 3.35Å; N426-S428 PolarHBondContact O-N 3.4Å; S428-R431 PolarHBondContact O-N 3.44Å; S428-A432 PolarHBondContact O-N 3.04Å; S428-F537 PolarHBondContact OG-O 2.97Å; S428-S538 PolarHBondContact OG-O 3.39Å; S428-S538 VanDerWaalsContact OG-O 3.12Å; S428-I539 PolarHBondContact OG-N 3.28Å |
| 429 | V | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -48.9 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I342 I425 N426 R431 A432 L433 A462 P488 V489 | I342-V429 HydrophobicContact CD1-CG1 4.14Å; I342-V429 HydrophobicContact CD1-CG2 4.19Å; I425-V429 HydrophobicContact CG2-CG2 4.46Å; I425-V429 WeakPolarHBondContact O-CG2 3.42Å; I425-V429 PolarHBondContact O-N 3.11Å; N426-V429 WeakPolarHBondContact O-CB 3.19Å; N426-V429 PolarHBondContact O-N 3.49Å; N426-V429 VanDerWaalsContact O-N 3.15Å; V429-R431 PolarHBondContact O-N 3.39Å; V429-A432 PolarHBondContact O-N 2.93Å; V429-L433 PolarHBondContact O-N 2.99Å; V429-A462 HydrophobicContact CG1-CB 3.3Å; V429-P488 HydrophobicContact CG1-CB 4.29Å; V429-V489 HydrophobicContact CG2-CG1 3.94Å |
| 430 | E | 96.3 | Very high | 95.9 | Very high | 102 Ų | 102 | 40.8 Ų | 40.8 | 48% | 0.477 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 177.2 | -73.3 | 171.9 | 173.2 | 0 | 0 | 112.3 | N426 L433 H434 | N426-E430 PolarHBondContact ND2-OE1 3.12Å; N426-E430 WeakPolarHBondContact O-CG 3.41Å; N426-E430 PolarHBondContact O-N 2.93Å; E430-L433 PolarHBondContact O-N 3.34Å; E430-H434 WeakPolarHBondContact O-CB 3.42Å; E430-H434 PolarHBondContact O-N 2.86Å |
| 431 | R | 96.9 | Very high | 96.2 | Very high | 54 Ų | 54 | 43.1 Ų | 43.1 | 20% | 0.204 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 177.2 | -78.7 | -172.6 | -59.2 | -90.7 | 2.1 | 112 | R427 S428 V429 H434 F435 F537 I541 | R427-R431 VanDerWaalsContact CB-NH1 3.29Å; R427-R431 WeakPolarHBondContact O-CB 3.26Å; R427-R431 VanDerWaalsContact O-CG 3.26Å; R427-R431 WeakPolarHBondContact O-CG 3.39Å; R427-R431 VanDerWaalsContact O-CZ 3.3Å; R427-R431 PolarHBondContact O-N 2.86Å; R427-R431 PolarHBondContact O-NH1 3.29Å; S428-R431 PolarHBondContact O-N 3.44Å; V429-R431 PolarHBondContact O-N 3.39Å; R431-H434 PolarHBondContact O-N 3.14Å; R431-F435 WeakPolarHBondContact O-CB 3.26Å; R431-F435 PolarHBondContact O-N 3.13Å; R431-F537 HydrophobicContact CB-CD1 4.43Å; R431-I541 PolarHBondContact NE-O 3.48Å; R431-I541 PolarHBondContact NH2-O 3.03Å |
| 432 | A | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S428 V429 H434 F435 R436 P488 V489 V491 F537 | S428-A432 PolarHBondContact O-N 3.04Å; V429-A432 PolarHBondContact O-N 2.93Å; A432-H434 PolarHBondContact O-N 3.46Å; A432-F435 PolarHBondContact O-N 3.15Å; A432-R436 VanDerWaalsContact O-CG 3.27Å; A432-R436 WeakPolarHBondContact O-CG 3.4Å; A432-R436 PolarHBondContact O-N 2.84Å; A432-P488 WeakPolarHBondContact CB-O 3.32Å; A432-V489 HydrophobicContact CB-CB 4.47Å; A432-V489 HydrophobicContact CB-CG1 4.22Å; A432-V491 HydrophobicContact CB-CG2 4.27Å; A432-F537 HydrophobicContact CB-CB 3.73Å; A432-F537 HydrophobicContact CB-CD1 4.05Å; A432-F537 HydrophobicContact CB-CD2 4.39Å; A432-F537 HydrophobicContact CB-CG 3.79Å |
| 433 | L | 97.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 175.4 | -179.7 | 65.3 | 0 | 0 | 0 | 111.8 | V429 E430 F435 R436 K437 V459 A462 W465 | V429-L433 PolarHBondContact O-N 2.99Å; E430-L433 PolarHBondContact O-N 3.34Å; L433-F435 PolarHBondContact O-N 2.89Å; L433-R436 WeakPolarHBondContact O-CB 3.24Å; L433-R436 PolarHBondContact O-N 3.35Å; L433-K437 HydrophobicContact CG-CD 4.5Å; L433-K437 WeakPolarHBondContact O-CG 3.46Å; L433-K437 PolarHBondContact O-N 2.67Å; L433-V459 HydrophobicContact CD1-CB 4.36Å; L433-V459 HydrophobicContact CD1-CG2 4.48Å; L433-A462 HydrophobicContact CD2-CB 4.02Å; L433-W465 HydrophobicContact CD1-CH2 4.4Å; L433-W465 HydrophobicContact CD1-CZ2 4.02Å |
| 434 | H | 97 | Very high | 96.9 | Very high | 94 Ų | 94 | 47.2 Ų | 47.2 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -45.4 | 178.2 | 180 | 56.7 | 0 | 0 | 0 | 111.5 | E430 R431 A432 R436 K437 E438 | E430-H434 WeakPolarHBondContact O-CB 3.42Å; E430-H434 PolarHBondContact O-N 2.86Å; R431-H434 PolarHBondContact O-N 3.14Å; A432-H434 PolarHBondContact O-N 3.46Å; H434-R436 PolarHBondContact O-N 3.31Å; H434-K437 PolarHBondContact O-N 2.97Å; H434-E438 IonicContact CE1-OE1 3.22Å; H434-E438 PolarHBondContact CE1-OE1 2.89Å; H434-E438 WeakPolarHBondContact O-CG 3.47Å; H434-E438 PolarHBondContact O-N 2.79Å |
| 435 | F | 98.1 | Very high | 97.1 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.9 | -179.7 | -89.5 | 0 | 0 | 0 | 112.3 | R431 A432 L433 K437 E438 V439 V491 I493 F537 A546 L549 L550 L553 | R431-F435 WeakPolarHBondContact O-CB 3.26Å; R431-F435 PolarHBondContact O-N 3.13Å; A432-F435 PolarHBondContact O-N 3.15Å; L433-F435 PolarHBondContact O-N 2.89Å; F435-K437 VanDerWaalsContact C-N 3.35Å; F435-K437 PolarHBondContact O-N 3.45Å; F435-E438 PolarHBondContact O-N 3.26Å; F435-V439 HydrophobicContact CD1-CG2 4.15Å; F435-V439 HydrophobicContact CE1-CG2 3.66Å; F435-V439 HydrophobicContact CE2-CG2 4.43Å; F435-V439 HydrophobicContact CZ-CG2 3.82Å; F435-V439 WeakPolarHBondContact O-CG2 3.37Å; F435-V439 PolarHBondContact O-N 2.84Å; F435-V491 HydrophobicContact CD1-CG1 3.98Å; F435-V491 HydrophobicContact CE1-CG1 3.99Å; F435-I493 HydrophobicContact CE1-CD1 3.99Å; F435-I493 HydrophobicContact CZ-CD1 4.05Å; F435-F537 HydrophobicContact CB-CE1 3.68Å; F435-F537 HydrophobicContact CB-CZ 3.62Å; F435-F537 HydrophobicContact CD1-CE1 4.44Å; F435-F537 HydrophobicContact CD1-CE2 4.03Å; F435-F537 AromaticContact CD1-CZ 3.53Å; F435-F537 HydrophobicContact CD1-CZ 3.53Å; F435-F537 HydrophobicContact CD2-CE1 4.3Å; F435-F537 AromaticContact CD2-CZ 3.79Å; F435-F537 HydrophobicContact CD2-CZ 3.79Å; F435-F537 HydrophobicContact CE1-CE2 4.42Å; F435-F537 HydrophobicContact CE1-CZ 4.1Å; F435-F537 HydrophobicContact CE2-CZ 4.33Å; F435-F537 AromaticContact CG-CE1 3.9Å; F435-F537 HydrophobicContact CG-CE1 3.9Å; F435-F537 HydrophobicContact CG-CE2 4.29Å; F435-F537 AromaticContact CG-CZ 3.35Å; F435-F537 HydrophobicContact CG-CZ 3.35Å; F435-F537 HydrophobicContact CZ-CZ 4.47Å; F435-A546 HydrophobicContact CD2-CB 4.44Å; F435-L549 HydrophobicContact CE1-CD2 4.26Å; F435-L549 HydrophobicContact CE2-CB 4.22Å; F435-L549 HydrophobicContact CE2-CD2 3.82Å; F435-L549 HydrophobicContact CE2-CG 3.9Å; F435-L549 HydrophobicContact CZ-CD2 3.49Å; F435-L549 VanDerWaalsContact CZ-CD2 3.49Å; F435-L549 HydrophobicContact CZ-CG 3.78Å; F435-L550 HydrophobicContact CE2-CB 4.15Å; F435-L550 HydrophobicContact CE2-CD1 4.15Å; F435-L553 HydrophobicContact CZ-CD1 4.05Å |
| 436 | R | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 175 | -71.7 | 170.7 | 177.2 | -81.9 | 2.5 | 111.6 | A432 L433 H434 V439 Q440 I453 Q455 P488 K490 V491 | A432-R436 VanDerWaalsContact O-CG 3.27Å; A432-R436 WeakPolarHBondContact O-CG 3.4Å; A432-R436 PolarHBondContact O-N 2.84Å; L433-R436 WeakPolarHBondContact O-CB 3.24Å; L433-R436 PolarHBondContact O-N 3.35Å; H434-R436 PolarHBondContact O-N 3.31Å; R436-V439 PolarHBondContact O-N 3.34Å; R436-Q440 WeakPolarHBondContact O-CG 3.39Å; R436-Q440 PolarHBondContact O-N 2.94Å; R436-Q440 VanDerWaalsContact O-N 3.15Å; R436-I453 HydrophobicContact CG-CG2 4.21Å; R436-I453 VanDerWaalsContact NH1-CG2 3.26Å; R436-Q455 VanDerWaalsContact CD-OE1 3.31Å; R436-P488 PolarHBondContact NE-O 3.18Å; R436-P488 PolarHBondContact NH2-O 3.27Å; R436-K490 PolarHBondContact NH2-O 3.44Å; R436-V491 HydrophobicContact CG-CG1 4.26Å; R436-V491 HydrophobicContact CG-CG2 4.17Å |
| 437 | K | 97.3 | Very high | 97 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 37% | 0.365 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 177 | -70.4 | -178.1 | 178.1 | -175.5 | 0 | 112.3 | L433 H434 F435 Q440 R441 V459 D460 | L433-K437 HydrophobicContact CG-CD 4.5Å; L433-K437 WeakPolarHBondContact O-CG 3.46Å; L433-K437 PolarHBondContact O-N 2.67Å; H434-K437 PolarHBondContact O-N 2.97Å; F435-K437 VanDerWaalsContact C-N 3.35Å; F435-K437 PolarHBondContact O-N 3.45Å; K437-Q440 PolarHBondContact O-N 3.38Å; K437-R441 WeakPolarHBondContact O-CB 3.42Å; K437-R441 PolarHBondContact O-N 3.28Å; K437-V459 WeakPolarHBondContact CE-O 3.36Å; K437-D460 PolarHBondContact NZ-O 3.34Å |
| 438 | E | 97.3 | Very high | 97 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.4 | -74.8 | -59.9 | 140.5 | 0 | 0 | 112.7 | H434 F435 R441 L442 L550 | H434-E438 IonicContact CE1-OE1 3.22Å; H434-E438 PolarHBondContact CE1-OE1 2.89Å; H434-E438 WeakPolarHBondContact O-CG 3.47Å; H434-E438 PolarHBondContact O-N 2.79Å; F435-E438 PolarHBondContact O-N 3.26Å; E438-R441 PolarHBondContact O-N 3.38Å; E438-R441 IonicContact OE1-NE 2.69Å; E438-R441 IonicContact OE2-CZ 2.84Å; E438-R441 VanDerWaalsContact OE2-CZ 3.28Å; E438-R441 IonicContact OE2-NE 3.84Å; E438-R441 PolarHBondContact OE2-NE 3.09Å; E438-R441 IonicContact OE2-NH2 2.66Å; E438-R441 PolarHBondContact OE2-NH2 2.99Å; E438-L442 WeakPolarHBondContact O-CB 3.34Å; E438-L442 VanDerWaalsContact O-CG 3.32Å; E438-L442 WeakPolarHBondContact O-CG 3.21Å; E438-L442 PolarHBondContact O-N 2.83Å; E438-L550 HydrophobicContact CB-CD1 4.38Å; E438-L550 HydrophobicContact CB-CD2 4.01Å; E438-L550 HydrophobicContact CG-CD2 4.47Å |
| 439 | V | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -42 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 111 | F435 R436 L442 R443 F450 F451 I453 L550 | F435-V439 HydrophobicContact CD1-CG2 4.15Å; F435-V439 HydrophobicContact CE1-CG2 3.66Å; F435-V439 HydrophobicContact CE2-CG2 4.43Å; F435-V439 HydrophobicContact CZ-CG2 3.82Å; F435-V439 WeakPolarHBondContact O-CG2 3.37Å; F435-V439 PolarHBondContact O-N 2.84Å; R436-V439 PolarHBondContact O-N 3.34Å; V439-L442 PolarHBondContact O-N 3.25Å; V439-R443 WeakPolarHBondContact O-CB 3.47Å; V439-R443 PolarHBondContact O-N 3.05Å; V439-F450 HydrophobicContact CG1-CE1 4.23Å; V439-F451 HydrophobicContact CG1-CB 4.41Å; V439-I453 HydrophobicContact CB-CD1 3.86Å; V439-I453 HydrophobicContact CB-CG1 3.87Å; V439-I453 HydrophobicContact CG1-CD1 3.72Å; V439-I453 HydrophobicContact CG1-CG1 3.76Å; V439-I453 HydrophobicContact CG2-CD1 4.11Å; V439-L550 HydrophobicContact CG2-CD1 3.87Å |
| 440 | Q | 97 | Very high | 97 | Very high | 43 Ų | 43 | 60 Ų | 60 | 20% | 0.201 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 175.4 | -70.4 | -60.4 | -21.7 | 0 | 0 | 112.2 | R436 K437 L442 R443 E444 D452 | R436-Q440 WeakPolarHBondContact O-CG 3.39Å; R436-Q440 PolarHBondContact O-N 2.94Å; R436-Q440 VanDerWaalsContact O-N 3.15Å; K437-Q440 PolarHBondContact O-N 3.38Å; Q440-L442 VanDerWaalsContact C-N 3.35Å; Q440-L442 PolarHBondContact O-N 3.31Å; Q440-R443 VanDerWaalsContact O-CB 3.31Å; Q440-R443 WeakPolarHBondContact O-CB 3.49Å; Q440-R443 PolarHBondContact O-N 2.96Å; Q440-R443 VanDerWaalsContact O-N 3.1Å; Q440-E444 PolarHBondContact O-N 3.03Å; Q440-D452 PolarHBondContact NE2-OD1 2.85Å |
| 441 | R | 97.1 | Very high | 97.1 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.5 | -47 | 174.9 | -173.9 | -173.3 | 66.5 | 69.4 | 8.2 | 111.6 | K437 E438 R443 E444 E445 | K437-R441 WeakPolarHBondContact O-CB 3.42Å; K437-R441 PolarHBondContact O-N 3.28Å; E438-R441 PolarHBondContact O-N 3.38Å; E438-R441 IonicContact OE1-NE 2.69Å; E438-R441 IonicContact OE2-CZ 2.84Å; E438-R441 VanDerWaalsContact OE2-CZ 3.28Å; E438-R441 IonicContact OE2-NE 3.84Å; E438-R441 PolarHBondContact OE2-NE 3.09Å; E438-R441 IonicContact OE2-NH2 2.66Å; E438-R441 PolarHBondContact OE2-NH2 2.99Å; R441-R443 VanDerWaalsContact C-N 3.29Å; R441-R443 PolarHBondContact O-N 3.34Å; R441-E444 PolarHBondContact O-N 3.43Å; R441-E445 WeakPolarHBondContact CG-OE1 3.34Å; R441-E445 IonicContact CZ-OE1 2.63Å; R441-E445 IonicContact CZ-OE2 3.17Å; R441-E445 IonicContact NH1-OE1 2.85Å; R441-E445 PolarHBondContact NH1-OE1 3.15Å; R441-E445 IonicContact NH1-OE2 2.8Å; R441-E445 PolarHBondContact NH1-OE2 3.13Å; R441-E445 WeakPolarHBondContact O-CB 3.47Å; R441-E445 WeakPolarHBondContact O-CG 3.44Å; R441-E445 PolarHBondContact O-N 3.49Å |
| 442 | L | 97.7 | Very high | 97.1 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -31.6 | 176.9 | -73.1 | 176.6 | 0 | 0 | 0 | 112.7 | E438 V439 Q440 S446 F450 L550 T554 | E438-L442 WeakPolarHBondContact O-CB 3.34Å; E438-L442 VanDerWaalsContact O-CG 3.32Å; E438-L442 WeakPolarHBondContact O-CG 3.21Å; E438-L442 PolarHBondContact O-N 2.83Å; V439-L442 PolarHBondContact O-N 3.25Å; Q440-L442 VanDerWaalsContact C-N 3.35Å; Q440-L442 PolarHBondContact O-N 3.31Å; L442-S446 WeakPolarHBondContact O-CB 3.21Å; L442-S446 PolarHBondContact O-N 3.2Å; L442-S446 PolarHBondContact O-OG 3.42Å; L442-F450 HydrophobicContact CB-CD1 4.15Å; L442-F450 HydrophobicContact CB-CE1 3.5Å; L442-F450 VanDerWaalsContact CB-CE1 3.5Å; L442-F450 HydrophobicContact CB-CE2 4.43Å; L442-F450 HydrophobicContact CB-CZ 3.69Å; L442-F450 HydrophobicContact CD1-CE1 4.3Å; L442-F450 HydrophobicContact CD1-CZ 3.94Å; L442-F450 HydrophobicContact CG-CZ 4.46Å; L442-L550 HydrophobicContact CD1-CD1 3.59Å; L442-L550 HydrophobicContact CD1-CD2 4.15Å; L442-L550 HydrophobicContact CD1-CG 3.85Å; L442-T554 HydrophobicContact CD1-CG2 3.91Å |
| 443 | R | 97.3 | Very high | 97.1 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 173.7 | -179.7 | -172.2 | 176.3 | 97.5 | -16 | 111.6 | V439 Q440 R441 F450 F451 D452 | V439-R443 WeakPolarHBondContact O-CB 3.47Å; V439-R443 PolarHBondContact O-N 3.05Å; Q440-R443 VanDerWaalsContact O-CB 3.31Å; Q440-R443 WeakPolarHBondContact O-CB 3.49Å; Q440-R443 PolarHBondContact O-N 2.96Å; Q440-R443 VanDerWaalsContact O-N 3.1Å; R441-R443 VanDerWaalsContact C-N 3.29Å; R441-R443 PolarHBondContact O-N 3.34Å; R443-F450 HydrophobicContact CB-CB 4.17Å; R443-F450 HydrophobicContact CB-CD1 3.94Å; R443-F450 HydrophobicContact CB-CG 4.45Å; R443-F450 HydrophobicContact CG-CB 4.23Å; R443-F451 PolarHBondContact NH1-O 3.22Å; R443-D452 IonicContact CZ-OD1 3.28Å; R443-D452 IonicContact CZ-OD2 3.53Å; R443-D452 IonicContact NE-OD1 2.72Å; R443-D452 IonicContact NE-OD2 3.41Å; R443-D452 IonicContact NH1-OD1 2.99Å; R443-D452 IonicContact NH1-OD2 2.97Å; R443-D452 PolarHBondContact NH1-OD2 2.71Å; R443-D452 VanDerWaalsContact NH1-OD2 3.14Å; R443-D452 IonicContact NH2-OD2 3.87Å; R443-D452 PolarHBondContact NH2-OD2 3.12Å |
| 444 | E | 96 | Very high | 97.1 | Very high | 160 Ų | 160 | 53.1 Ų | 53.1 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -71.3 | -37.4 | 178.1 | -67.9 | 176.6 | 177.4 | 0 | 0 | 112.9 | Q440 R441 | Q440-E444 PolarHBondContact O-N 3.03Å; R441-E444 PolarHBondContact O-N 3.43Å |
| 445 | E | 97.5 | Very high | 97.2 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -85.5 | -19 | -176.6 | -70.7 | 177.4 | -162.8 | 0 | 0 | 114.4 | R441 | R441-E445 WeakPolarHBondContact CG-OE1 3.34Å; R441-E445 IonicContact CZ-OE1 2.63Å; R441-E445 IonicContact CZ-OE2 3.17Å; R441-E445 IonicContact NH1-OE1 2.85Å; R441-E445 PolarHBondContact NH1-OE1 3.15Å; R441-E445 IonicContact NH1-OE2 2.8Å; R441-E445 PolarHBondContact NH1-OE2 3.13Å; R441-E445 WeakPolarHBondContact O-CB 3.47Å; R441-E445 WeakPolarHBondContact O-CG 3.44Å; R441-E445 PolarHBondContact O-N 3.49Å |
| 446 | S | 96.6 | Very high | 97.1 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -81.3 | 140 | -176.3 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | L442 G448 | L442-S446 WeakPolarHBondContact O-CB 3.21Å; L442-S446 PolarHBondContact O-N 3.2Å; L442-S446 PolarHBondContact O-OG 3.42Å; S446-G448 PolarHBondContact O-N 3.11Å |
| 447 | D | 93.7 | Very high | 96.8 | Very high | 152 Ų | 152 | 55.3 Ų | 55.3 | 81% | 0.813 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -68.5 | 127.7 | 170.3 | -65.4 | -40.5 | 0 | 0 | 0 | 111.3 | K557 | D447-K557 WeakPolarHBondContact O-CE 3.39Å; D447-K557 PolarHBondContact O-NZ 2.76Å |
| 448 | G | 94.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 76% | 0.763 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 76.8 | -139.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S446 | S446-G448 PolarHBondContact O-N 3.11Š|
| 449 | W | 97.1 | Very high | 96.3 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | trans | -74.5 | 147.8 | -177.7 | 75.9 | -86.5 | 0 | 0 | 0 | 111.7 | F451 P496 I509 F556 K557 Y560 D561 | W449-F451 HydrophobicContact CH2-CE2 4.32Å; W449-F451 HydrophobicContact CH2-CZ 4.15Å; W449-F451 HydrophobicContact CZ3-CD2 4.45Å; W449-F451 HydrophobicContact CZ3-CE1 4.25Å; W449-F451 HydrophobicContact CZ3-CE2 4.18Å; W449-F451 HydrophobicContact CZ3-CZ 4.09Å; W449-P496 HydrophobicContact CB-CG 4.13Å; W449-P496 HydrophobicContact CD2-CG 4.05Å; W449-P496 HydrophobicContact CE3-CG 3.43Å; W449-P496 VanDerWaalsContact CE3-CG 3.43Å; W449-P496 HydrophobicContact CG-CG 4.37Å; W449-P496 HydrophobicContact CZ3-CG 4.16Å; W449-I509 HydrophobicContact CD2-CD1 3.7Å; W449-I509 VanDerWaalsContact CE2-CD1 3.47Å; W449-I509 HydrophobicContact CE3-CD1 3.77Å; W449-I509 HydrophobicContact CH2-CD1 3.35Å; W449-I509 HydrophobicContact CZ2-CD1 3.29Å; W449-I509 HydrophobicContact CZ3-CD1 3.6Å; W449-F556 AromaticContact CH2-CD1 3.79Å; W449-F556 HydrophobicContact CH2-CD1 3.79Å; W449-F556 AromaticContact CH2-CE1 3.73Å; W449-F556 HydrophobicContact CH2-CE1 3.73Å; W449-F556 HydrophobicContact CZ2-CD1 4.44Å; W449-F556 HydrophobicContact CZ2-CE1 4.27Å; W449-K557 HydrophobicContact CH2-CB 4.07Å; W449-K557 HydrophobicContact CH2-CG 4.45Å; W449-K557 HydrophobicContact CZ2-CB 4.02Å; W449-K557 HydrophobicContact CZ2-CG 4.02Å; W449-K557 WeakPolarHBondContact O-CD 3.34Å; W449-K557 WeakPolarHBondContact O-CE 3.24Å; W449-K557 PolarHBondContact O-NZ 3.23Å; W449-Y560 AromaticContact CE2-CD1 3.85Å; W449-Y560 AromaticContact CZ2-CD1 3.62Å; W449-Y560 HydrophobicContact CZ2-CD1 3.62Å; W449-Y560 HydrophobicContact CZ2-CE1 4.35Å; W449-Y560 AromaticContact CZ2-CG 3.95Å; W449-Y560 HydrophobicContact CZ2-CG 3.95Å; W449-Y560 AromaticContact NE1-CD1 3.65Å; W449-Y560 AromaticContact NE1-CE1 3.97Å; W449-D561 PolarHBondContact NE1-OD1 2.93Å | ||
| 450 | F | 98.1 | Very high | 95.9 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | trans | -142 | 173.6 | 164.7 | -159.5 | -108.8 | 0 | 0 | 0 | 109.6 | V439 L442 R443 T554 K557 | V439-F450 HydrophobicContact CG1-CE1 4.23Å; L442-F450 HydrophobicContact CB-CD1 4.15Å; L442-F450 HydrophobicContact CB-CE1 3.5Å; L442-F450 VanDerWaalsContact CB-CE1 3.5Å; L442-F450 HydrophobicContact CB-CE2 4.43Å; L442-F450 HydrophobicContact CB-CZ 3.69Å; L442-F450 HydrophobicContact CD1-CE1 4.3Å; L442-F450 HydrophobicContact CD1-CZ 3.94Å; L442-F450 HydrophobicContact CG-CZ 4.46Å; R443-F450 HydrophobicContact CB-CB 4.17Å; R443-F450 HydrophobicContact CB-CD1 3.94Å; R443-F450 HydrophobicContact CB-CG 4.45Å; R443-F450 HydrophobicContact CG-CB 4.23Å; F450-T554 HydrophobicContact CE2-CG2 4.38Å; F450-T554 HydrophobicContact CZ-CG2 4.25Å; F450-K557 HydrophobicContact CD2-CD 3.5Å; F450-K557 VanDerWaalsContact CD2-CD 3.5Å; F450-K557 HydrophobicContact CE2-CD 3.99Å | ||
| 451 | F | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -64.8 | 156.9 | 170.5 | -60.8 | -78.1 | 0 | 0 | 0 | 111.4 | V439 R443 W449 I493 L494 T495 V514 L553 F556 | V439-F451 HydrophobicContact CG1-CB 4.41Å; R443-F451 PolarHBondContact NH1-O 3.22Å; W449-F451 HydrophobicContact CH2-CE2 4.32Å; W449-F451 HydrophobicContact CH2-CZ 4.15Å; W449-F451 HydrophobicContact CZ3-CD2 4.45Å; W449-F451 HydrophobicContact CZ3-CE1 4.25Å; W449-F451 HydrophobicContact CZ3-CE2 4.18Å; W449-F451 HydrophobicContact CZ3-CZ 4.09Å; F451-I493 HydrophobicContact CB-CG2 3.76Å; F451-I493 HydrophobicContact CD1-CG2 3.82Å; F451-I493 HydrophobicContact CG-CG2 4.03Å; F451-L494 WeakPolarHBondContact CA-O 3.37Å; F451-T495 HydrophobicContact CD1-CG2 4.04Å; F451-T495 HydrophobicContact CE1-CG2 3.9Å; F451-V514 HydrophobicContact CE1-CG1 3.94Å; F451-V514 HydrophobicContact CE1-CG2 3.95Å; F451-V514 HydrophobicContact CZ-CG1 3.96Å; F451-V514 HydrophobicContact CZ-CG2 4.27Å; F451-L553 HydrophobicContact CD1-CD2 4.47Å; F451-L553 HydrophobicContact CD2-CB 3.91Å; F451-L553 HydrophobicContact CD2-CD2 4.04Å; F451-L553 HydrophobicContact CD2-CG 4.41Å; F451-L553 HydrophobicContact CE1-CD2 4.26Å; F451-L553 HydrophobicContact CE2-CB 3.75Å; F451-L553 HydrophobicContact CE2-CD2 3.81Å; F451-L553 HydrophobicContact CE2-CG 4.35Å; F451-L553 WeakPolarHBondContact CE2-O 3.27Å; F451-L553 HydrophobicContact CG-CD2 4.36Å; F451-L553 HydrophobicContact CZ-CD2 3.91Å; F451-F556 HydrophobicContact CE2-CD1 4.37Å; F451-F556 HydrophobicContact CZ-CB 4.49Å; F451-F556 AromaticContact CZ-CD1 3.68Å; F451-F556 HydrophobicContact CZ-CD1 3.68Å; F451-F556 HydrophobicContact CZ-CE1 4.3Å; F451-F556 HydrophobicContact CZ-CG 4.28Å | ||
| 452 | D | 97.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 14% | 0.144 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 173.1 | 168.1 | -143.1 | -22.3 | 0 | 0 | 0 | 111.1 | Q440 R443 I493 L494 | Q440-D452 PolarHBondContact NE2-OD1 2.85Å; R443-D452 IonicContact CZ-OD1 3.28Å; R443-D452 IonicContact CZ-OD2 3.53Å; R443-D452 IonicContact NE-OD1 2.72Å; R443-D452 IonicContact NE-OD2 3.41Å; R443-D452 IonicContact NH1-OD1 2.99Å; R443-D452 IonicContact NH1-OD2 2.97Å; R443-D452 PolarHBondContact NH1-OD2 2.71Å; R443-D452 VanDerWaalsContact NH1-OD2 3.14Å; R443-D452 IonicContact NH2-OD2 3.87Å; R443-D452 PolarHBondContact NH2-OD2 3.12Å; D452-I493 CarbonylContact O-C 3.59Å; D452-I493 WeakPolarHBondContact O-CA 3.44Å; D452-L494 HydrophobicContact CB-CB 3.93Å; D452-L494 HydrophobicContact CB-CD1 4.35Å; D452-L494 HydrophobicContact CB-CG 4.45Å; D452-L494 PolarHBondContact N-O 2.79Å; D452-L494 PolarHBondContact O-N 3.33Å |
| 453 | I | 97.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.1 | 166.7 | -56.2 | -65.1 | 0 | 0 | 0 | 109.2 | R436 V439 Q455 V491 I493 | R436-I453 HydrophobicContact CG-CG2 4.21Å; R436-I453 VanDerWaalsContact NH1-CG2 3.26Å; V439-I453 HydrophobicContact CB-CD1 3.86Å; V439-I453 HydrophobicContact CB-CG1 3.87Å; V439-I453 HydrophobicContact CG1-CD1 3.72Å; V439-I453 HydrophobicContact CG1-CG1 3.76Å; V439-I453 HydrophobicContact CG2-CD1 4.11Å; I453-Q455 HydrophobicContact CB-CG 4Å; I453-Q455 HydrophobicContact CG2-CB 4.03Å; I453-Q455 HydrophobicContact CG2-CG 3.73Å; I453-Q455 PolarHBondContact O-N 3.19Å; I453-Q455 VanDerWaalsContact O-N 3.08Å; I453-V491 HydrophobicContact CD1-CG1 3.9Å; I453-I493 HydrophobicContact CD1-CG1 3.78Å |
| 454 | W | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -74.3 | 97.3 | 169.4 | -171.3 | 69.6 | 0 | 0 | 0 | 109.9 | I271 L311 W473 H474 F476 L486 T492 L494 | I271-W454 HydrophobicContact CD1-CD2 3.75Å; I271-W454 HydrophobicContact CD1-CE3 4.16Å; I271-W454 HydrophobicContact CD1-CG 4Å; I271-W454 HydrophobicContact CD1-CZ2 4.32Å; I271-W454 HydrophobicContact CG2-CH2 3.9Å; I271-W454 HydrophobicContact CG2-CZ2 4.19Å; I271-W454 HydrophobicContact CG2-CZ3 4.24Å; L311-W454 HydrophobicContact CD1-CH2 4.05Å; L311-W454 HydrophobicContact CD2-CH2 3.78Å; L311-W454 HydrophobicContact CD2-CZ3 4.09Å; L311-W454 HydrophobicContact CG-CH2 4.05Å; L311-W454 HydrophobicContact CG-CZ3 4.42Å; W454-W473 HydrophobicContact CD2-CE3 4.42Å; W454-W473 AromaticContact CD2-CZ3 3.86Å; W454-W473 HydrophobicContact CD2-CZ3 3.86Å; W454-W473 AromaticContact CE2-CZ3 3.76Å; W454-W473 HydrophobicContact CE3-CZ3 4.15Å; W454-W473 HydrophobicContact CG-CZ3 4.35Å; W454-W473 HydrophobicContact CH2-CZ3 4.3Å; W454-W473 AromaticContact CZ2-CZ3 3.99Å; W454-W473 HydrophobicContact CZ2-CZ3 3.99Å; W454-W473 HydrophobicContact CZ3-CZ3 4.38Å; W454-W473 PolarHBondContact NE1-O 2.84Å; W454-H474 HydrophobicContact CZ2-CB 4Å; W454-F476 HydrophobicContact CH2-CE2 4.1Å; W454-F476 HydrophobicContact CH2-CZ 4.35Å; W454-F476 AromaticContact CZ2-CE2 3.81Å; W454-F476 HydrophobicContact CZ2-CE2 3.81Å; W454-F476 HydrophobicContact CZ2-CZ 4.12Å; W454-L486 HydrophobicContact CE3-CD1 4.09Å; W454-L486 HydrophobicContact CZ3-CD1 3.71Å; W454-T492 HydrophobicContact CB-CG2 4.01Å; W454-T492 PolarHBondContact N-O 3Å; W454-L494 HydrophobicContact CB-CD1 4.14Å; W454-L494 HydrophobicContact CB-CD2 4.01Å; W454-L494 HydrophobicContact CB-CG 4.07Å |
| 455 | Q | 97.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -164.9 | 169.4 | -176.3 | 64.1 | -179.7 | 30.9 | 0 | 0 | 110.9 | R436 I453 V459 W473 L486 | R436-Q455 VanDerWaalsContact CD-OE1 3.31Å; I453-Q455 HydrophobicContact CB-CG 4Å; I453-Q455 HydrophobicContact CG2-CB 4.03Å; I453-Q455 HydrophobicContact CG2-CG 3.73Å; I453-Q455 PolarHBondContact O-N 3.19Å; I453-Q455 VanDerWaalsContact O-N 3.08Å; Q455-V459 HydrophobicContact CB-CG1 4.48Å; Q455-V459 VanDerWaalsContact NE2-CG2 3.32Å; Q455-W473 VanDerWaalsContact CA-CE3 3.46Å; Q455-W473 WeakPolarHBondContact O-CB 3.42Å; Q455-L486 HydrophobicContact CB-CD2 4.14Å |
| 456 | P | 96.4 | Very high | 95.4 | Very high | 14 Ų | 14 | 54.5 Ų | 54.5 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -57 | 151.8 | 169.4 | -22.7 | 32 | 0 | 0 | 0 | 112.7 | Q458 V459 W465 W473 | P456-Q458 PolarHBondContact O-N 3.21Å; P456-Q458 VanDerWaalsContact O-N 3.14Å; P456-V459 HydrophobicContact CB-CG1 4.42Å; P456-W465 HydrophobicContact CG-CB 3.61Å; P456-W465 HydrophobicContact CG-CG 3.89Å; P456-W473 HydrophobicContact CG-CH2 4.46Å; P456-W473 HydrophobicContact CG-CZ2 3.8Å | ||
| 457 | P | 92.8 | Very high | 95.4 | Very high | 121 Ų | 121 | 53.2 Ų | 53.2 | 79% | 0.786 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -58.2 | -28.4 | -179.8 | -26.2 | 34.7 | 0 | 0 | 0 | 114.7 | ||
| 458 | Q | 90.3 | Very high | 95.4 | Very high | 157 Ų | 157 | 47.2 Ų | 47.2 | 73% | 0.734 | 27% | 0.27 | S | S | * | . | trans | -125.1 | 126.3 | 178.1 | -68.5 | -178.4 | -15.4 | 0 | 0 | 109.8 | P456 | P456-Q458 PolarHBondContact O-N 3.21Å; P456-Q458 VanDerWaalsContact O-N 3.14Å | ||
| 459 | V | 92.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | trans | -135.5 | 72.5 | -179.6 | -69.3 | 0 | 0 | 0 | 0 | 110.1 | L433 K437 Q455 P456 W465 | L433-V459 HydrophobicContact CD1-CB 4.36Å; L433-V459 HydrophobicContact CD1-CG2 4.48Å; K437-V459 WeakPolarHBondContact CE-O 3.36Å; Q455-V459 HydrophobicContact CB-CG1 4.48Å; Q455-V459 VanDerWaalsContact NE2-CG2 3.32Å; P456-V459 HydrophobicContact CB-CG1 4.42Å; V459-W465 HydrophobicContact CB-CZ2 3.88Å; V459-W465 HydrophobicContact CG1-CD2 4.14Å; V459-W465 HydrophobicContact CG1-CH2 4.38Å; V459-W465 HydrophobicContact CG1-CZ2 3.78Å | ||
| 460 | D | 90.1 | Very high | 95.1 | Very high | 124 Ų | 124 | 47.6 Ų | 47.6 | 66% | 0.663 | 28% | 0.279 | S | S | * | . | trans | -73.4 | -43.6 | -175.3 | -67.9 | -34.9 | 0 | 0 | 0 | 112.3 | K437 | K437-D460 PolarHBondContact NZ-O 3.34Š| ||
| 461 | E | 93.2 | Very high | 94.9 | Very high | 155 Ų | 155 | 51 Ų | 51 | 72% | 0.724 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -121.9 | 160.1 | 179.3 | -64 | -174.8 | -179.4 | 0 | 0 | 111 | E463 W465 | E461-E463 PolarHBondContact O-N 3.43Å; E461-W465 PolarHBondContact O-NE1 3.39Å |
| 462 | A | 91.5 | Very high | 94.6 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | trans | -81.3 | 112.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | V429 L433 | V429-A462 HydrophobicContact CG1-CB 3.3Å; L433-A462 HydrophobicContact CD2-CB 4.02Å | ||
| 463 | E | 94.8 | Very high | 94.4 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | trans | -139 | 165.1 | 171.1 | 59.7 | 177.1 | -168.6 | 0 | 0 | 109.3 | E461 W465 P488 | E461-E463 PolarHBondContact O-N 3.43Å; E463-W465 VanDerWaalsContact C-N 3.35Å; E463-W465 HydrophobicContact CG-CD2 4.5Å; E463-W465 HydrophobicContact CG-CG 3.95Å; E463-W465 PolarHBondContact O-N 2.78Å; E463-W465 VanDerWaalsContact O-N 3.08Å; E463-P488 WeakPolarHBondContact O-CG 3.36Å | ||
| 464 | C | 97.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 56 Ų | 56 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | trans | -77.1 | 93.2 | 164.6 | -65.5 | 0 | 0 | 0 | 0 | 108.1 | L312 Y343 K346 F485 L486 | L312-C464 HydrophobicContact CD1-CB 4.45Å; Y343-C464 WeakPolarHBondContact CD1-SG 3.29Å; Y343-C464 VanDerWaalsContact CE1-SG 3.51Å; K346-C464 HydrophobicContact CD-CB 3.72Å; C464-F485 HydrophobicContact CB-CB 3.72Å; C464-F485 HydrophobicContact CB-CG 4.49Å; C464-F485 WeakPolarHBondContact O-CD1 3.49Å; C464-L486 CarbonylContact C-O 3.52Å; C464-L486 VanDerWaalsContact CA-O 3.26Å; C464-L486 WeakPolarHBondContact CA-O 3.33Å | ||
| 465 | W | 97.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 129.3 | -170.4 | -55.7 | -77.8 | 0 | 0 | 0 | 111.9 | L433 P456 V459 E461 E463 F485 L486 P488 | L433-W465 HydrophobicContact CD1-CH2 4.4Å; L433-W465 HydrophobicContact CD1-CZ2 4.02Å; P456-W465 HydrophobicContact CG-CB 3.61Å; P456-W465 HydrophobicContact CG-CG 3.89Å; V459-W465 HydrophobicContact CB-CZ2 3.88Å; V459-W465 HydrophobicContact CG1-CD2 4.14Å; V459-W465 HydrophobicContact CG1-CH2 4.38Å; V459-W465 HydrophobicContact CG1-CZ2 3.78Å; E461-W465 PolarHBondContact O-NE1 3.39Å; E463-W465 VanDerWaalsContact C-N 3.35Å; E463-W465 HydrophobicContact CG-CD2 4.5Å; E463-W465 HydrophobicContact CG-CG 3.95Å; E463-W465 PolarHBondContact O-N 2.78Å; E463-W465 VanDerWaalsContact O-N 3.08Å; W465-F485 CarbonylContact O-C 3.38Å; W465-F485 VanDerWaalsContact O-CA 3.26Å; W465-F485 WeakPolarHBondContact O-CA 3.26Å; W465-L486 HydrophobicContact CE3-CB 4.18Å; W465-L486 HydrophobicContact CE3-CD2 3.88Å; W465-L486 HydrophobicContact CE3-CG 3.98Å; W465-L486 HydrophobicContact CZ3-CD2 4.26Å; W465-L486 HydrophobicContact CZ3-CG 4.39Å; W465-L486 PolarHBondContact N-O 3.34Å; W465-L486 PolarHBondContact O-N 2.98Å; W465-P488 HydrophobicContact CE3-CG 4.48Å; W465-P488 HydrophobicContact CH2-CB 3.87Å; W465-P488 HydrophobicContact CH2-CG 3.93Å; W465-P488 HydrophobicContact CZ2-CG 4.47Å; W465-P488 HydrophobicContact CZ3-CB 4.04Å; W465-P488 HydrophobicContact CZ3-CG 3.94Å |
| 466 | P | 96.9 | Very high | 94 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 141.9 | -178.4 | 28.4 | -34.5 | 0 | 0 | 0 | 111.8 | A468 F485 | P466-A468 PolarHBondContact O-N 3.14Å; P466-F485 HydrophobicContact CB-CD1 4.05Å; P466-F485 HydrophobicContact CB-CE1 4.16Å |
| 467 | V | 96.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.03 | 35% | 0.354 | C | S | . | . | trans | -86.4 | 89.4 | 167.8 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | L311 W473 H474 F476 A479 M484 | L311-V467 HydrophobicContact CD2-CG2 3.81Å; V467-W473 HydrophobicContact CG2-CH2 4.49Å; V467-W473 HydrophobicContact CG2-CZ2 4.42Å; V467-H474 HydrophobicContact CG1-CB 4.04Å; V467-H474 WeakPolarHBondContact CG1-CD2 3.46Å; V467-F476 HydrophobicContact CG1-CD2 3.79Å; V467-F476 HydrophobicContact CG1-CE2 4.35Å; V467-A479 HydrophobicContact CG1-CB 4.1Å; V467-M484 HydrophobicContact CB-CB 4.02Å; V467-M484 HydrophobicContact CG2-CB 3.95Å; V467-M484 PolarHBondContact N-O 2.92Å | ||
| 468 | A | 94.2 | Very high | 93.1 | Very high | 26 Ų | 26 | 64 Ų | 64 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | trans | -87.2 | 141.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P466 G470 E471 H474 | P466-A468 PolarHBondContact O-N 3.14Å; A468-G470 PolarHBondContact O-N 3.44Å; A468-E471 HydrophobicContact CB-CG 4.13Å; A468-E471 PolarHBondContact O-N 3.31Å; A468-H474 PolarHBondContact O-NE2 3.09Å | ||
| 469 | P | 94.1 | Very high | 93.1 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 47% | 0.468 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 136.4 | 175.9 | -12.5 | 19.4 | 0 | 0 | 0 | 111.9 | E471 A479 A481 | P469-E471 VanDerWaalsContact C-N 3.32Å; P469-E471 PolarHBondContact O-N 3.27Å; P469-A479 WeakPolarHBondContact CB-O 3.35Å; P469-A479 WeakPolarHBondContact CG-O 3.3Å; P469-A481 HydrophobicContact CG-CB 3.79Å |
| 470 | G | 91.2 | Very high | 93.3 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | -15 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | A468 Q472 | A468-G470 PolarHBondContact O-N 3.44Å; G470-Q472 PolarHBondContact O-NE2 3.04Å; G470-Q472 VanDerWaalsContact O-NE2 3.14Å |
| 471 | E | 93.1 | Very high | 93.5 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | trans | -72.8 | 144.1 | 171.4 | -65.8 | -173.5 | 176.9 | 0 | 0 | 111.3 | A468 P469 W473 H474 | A468-E471 HydrophobicContact CB-CG 4.13Å; A468-E471 PolarHBondContact O-N 3.31Å; P469-E471 VanDerWaalsContact C-N 3.32Å; P469-E471 PolarHBondContact O-N 3.27Å; E471-W473 VanDerWaalsContact OE2-CD1 3.28Å; E471-W473 PolarHBondContact OE2-NE1 2.85Å; E471-H474 PolarHBondContact O-CE1 3.38Å; E471-H474 PolarHBondContact O-NE2 3.12Å | ||
| 472 | Q | 92 | Very high | 93.6 | Very high | 116 Ų | 116 | 53.3 Ų | 53.3 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -96.7 | -27.5 | -172.6 | -61.3 | -57.9 | -54.4 | 0 | 0 | 113.2 | G470 H474 G475 Q501 | G470-Q472 PolarHBondContact O-NE2 3.04Å; G470-Q472 VanDerWaalsContact O-NE2 3.14Å; Q472-H474 PolarHBondContact O-N 3.43Å; Q472-H474 VanDerWaalsContact O-N 3.09Å; Q472-G475 PolarHBondContact O-N 3Å; Q472-Q501 PolarHBondContact O-NE2 2.96Å |
| 473 | W | 94.9 | Very high | 93.9 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 8% | 0.076 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.2 | -171.4 | 73.9 | -94.9 | 0 | 0 | 0 | 113.5 | W454 Q455 P456 V467 E471 L486 E500 | W454-W473 HydrophobicContact CD2-CE3 4.42Å; W454-W473 AromaticContact CD2-CZ3 3.86Å; W454-W473 HydrophobicContact CD2-CZ3 3.86Å; W454-W473 AromaticContact CE2-CZ3 3.76Å; W454-W473 HydrophobicContact CE3-CZ3 4.15Å; W454-W473 HydrophobicContact CG-CZ3 4.35Å; W454-W473 HydrophobicContact CH2-CZ3 4.3Å; W454-W473 AromaticContact CZ2-CZ3 3.99Å; W454-W473 HydrophobicContact CZ2-CZ3 3.99Å; W454-W473 HydrophobicContact CZ3-CZ3 4.38Å; W454-W473 PolarHBondContact NE1-O 2.84Å; Q455-W473 VanDerWaalsContact CA-CE3 3.46Å; Q455-W473 WeakPolarHBondContact O-CB 3.42Å; P456-W473 HydrophobicContact CG-CH2 4.46Å; P456-W473 HydrophobicContact CG-CZ2 3.8Å; V467-W473 HydrophobicContact CG2-CH2 4.49Å; V467-W473 HydrophobicContact CG2-CZ2 4.42Å; E471-W473 VanDerWaalsContact OE2-CD1 3.28Å; E471-W473 PolarHBondContact OE2-NE1 2.85Å; W473-L486 HydrophobicContact CH2-CB 4.18Å; W473-L486 HydrophobicContact CH2-CD2 3.78Å; W473-L486 HydrophobicContact CZ3-CD2 3.96Å; W473-E500 VanDerWaalsContact O-CG 3.31Å; W473-E500 WeakPolarHBondContact O-CG 3.48Å |
| 474 | H | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -19 | -178.2 | 50.7 | 61.1 | 0 | 0 | 0 | 113.7 | N267 W454 V467 A468 E471 Q472 F476 | N267-H474 PolarHBondContact ND2-O 2.93Å; W454-H474 HydrophobicContact CZ2-CB 4Å; V467-H474 HydrophobicContact CG1-CB 4.04Å; V467-H474 WeakPolarHBondContact CG1-CD2 3.46Å; A468-H474 PolarHBondContact O-NE2 3.09Å; E471-H474 PolarHBondContact O-CE1 3.38Å; E471-H474 PolarHBondContact O-NE2 3.12Å; Q472-H474 PolarHBondContact O-N 3.43Å; Q472-H474 VanDerWaalsContact O-N 3.09Å; H474-F476 VanDerWaalsContact C-N 3.26Å; H474-F476 HydrophobicContact CB-CD2 3.76Å; H474-F476 HydrophobicContact CB-CE2 4.03Å; H474-F476 PolarHBondContact CE1-O 3.18Å; H474-F476 AromaticContact CG-CD2 3.97Å; H474-F476 AromaticContact ND1-CD2 3.85Å; H474-F476 PolarHBondContact ND1-N 3.25Å; H474-F476 PolarHBondContact O-N 2.83Å |
| 475 | G | 94.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | trans | 72.2 | 5.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | N267 Q472 E500 | N267-G475 WeakPolarHBondContact CB-O 3.45Å; Q472-G475 PolarHBondContact O-N 3Å; G475-E500 WeakPolarHBondContact CA-O 3.45Å | ||
| 476 | F | 93.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 48.3 Ų | 48.3 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | trans | -85 | 120.1 | 170.6 | -52.4 | -63.4 | 0 | 0 | 0 | 111.8 | N267 I271 L311 W454 V467 H474 A479 | N267-F476 HydrophobicContact CB-CD1 3.94Å; N267-F476 HydrophobicContact CB-CE1 3.81Å; N267-F476 HydrophobicContact CB-CZ 4.42Å; I271-F476 HydrophobicContact CG2-CZ 4.46Å; L311-F476 HydrophobicContact CD1-CE2 3.78Å; L311-F476 HydrophobicContact CD1-CZ 3.79Å; W454-F476 HydrophobicContact CH2-CE2 4.1Å; W454-F476 HydrophobicContact CH2-CZ 4.35Å; W454-F476 AromaticContact CZ2-CE2 3.81Å; W454-F476 HydrophobicContact CZ2-CE2 3.81Å; W454-F476 HydrophobicContact CZ2-CZ 4.12Å; V467-F476 HydrophobicContact CG1-CD2 3.79Å; V467-F476 HydrophobicContact CG1-CE2 4.35Å; H474-F476 VanDerWaalsContact C-N 3.26Å; H474-F476 HydrophobicContact CB-CD2 3.76Å; H474-F476 HydrophobicContact CB-CE2 4.03Å; H474-F476 PolarHBondContact CE1-O 3.18Å; H474-F476 AromaticContact CG-CD2 3.97Å; H474-F476 AromaticContact ND1-CD2 3.85Å; H474-F476 PolarHBondContact ND1-N 3.25Å; H474-F476 PolarHBondContact O-N 2.83Å; F476-A479 HydrophobicContact CB-CB 4.38Å | ||
| 477 | N | 84.7 | Confident | 94.3 | Very high | 144 Ų | 144 | 45.7 Ų | 45.7 | 77% | 0.77 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -38.2 | -175.9 | -66.9 | -28.9 | 0 | 0 | 0 | 113.8 | ||
| 478 | D | 85.3 | Confident | 94.3 | Very high | 143 Ų | 143 | 45.4 Ų | 45.4 | 77% | 0.765 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 52.4 | -174.3 | -60.6 | -48.2 | 0 | 0 | 0 | 111.1 | ||
| 479 | A | 92.2 | Very high | 94.5 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 134.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V467 P469 F476 | V467-A479 HydrophobicContact CG1-CB 4.1Å; P469-A479 WeakPolarHBondContact CB-O 3.35Å; P469-A479 WeakPolarHBondContact CG-O 3.3Å; F476-A479 HydrophobicContact CB-CB 4.38Å |
| 480 | D | 95.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 41 Ų | 41 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -82.1 | 136.1 | 172.7 | -69.4 | -61.3 | 0 | 0 | 0 | 111 | P276 R277 H483 | P276-D480 WeakPolarHBondContact CA-OD2 3.16Å; R277-D480 HydrophobicContact CB-CB 4.48Å; R277-D480 HydrophobicContact CG-CB 3.91Å; R277-D480 PolarHBondContact N-OD2 3.28Å; D480-H483 HydrophobicContact CB-CB 3.69Å; D480-H483 WeakPolarHBondContact O-CB 3.17Å |
| 481 | A | 95.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 37.8 Ų | 37.8 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 141.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R277 P469 H483 | R277-A481 PolarHBondContact NH1-O 3.2Å; R277-A481 PolarHBondContact NH2-O 3.01Å; R277-A481 VanDerWaalsContact NH2-O 3.15Å; P469-A481 HydrophobicContact CG-CB 3.79Å; A481-H483 VanDerWaalsContact C-N 3.25Å; A481-H483 PolarHBondContact O-N 3.18Å |
| 482 | D | 95.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 34 Ų | 34 | 51% | 0.508 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 37.6 | 176.7 | -173 | 45.8 | 0 | 0 | 0 | 113.6 | R277 N314 F485 | R277-D482 PolarHBondContact NH2-O 2.97Å; R277-D482 IonicContact NH2-OD2 3.36Å; N314-D482 WeakPolarHBondContact CB-O 3.46Å; N314-D482 PolarHBondContact ND2-O 2.73Å; N314-D482 PolarHBondContact ND2-OD2 3.39Å; D482-F485 WeakPolarHBondContact OD1-CZ 3.48Å |
| 483 | H | 97.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -48.2 | -172.7 | -170.5 | 52.2 | 0 | 0 | 0 | 114 | I275 R277 Y313 N314 D480 A481 | I275-H483 PolarHBondContact O-NE2 3.29Å; R277-H483 HydrophobicContact CG-CB 4.3Å; R277-H483 WeakPolarHBondContact CG-ND1 3.26Å; Y313-H483 CarbonylContact C-O 3.4Å; Y313-H483 WeakPolarHBondContact CA-O 3.37Å; Y313-H483 AromaticContact CD1-CE1 4Å; Y313-H483 AromaticContact CD1-NE2 3.97Å; N314-H483 PolarHBondContact N-O 3.33Å; D480-H483 HydrophobicContact CB-CB 3.69Å; D480-H483 WeakPolarHBondContact O-CB 3.17Å; A481-H483 VanDerWaalsContact C-N 3.25Å; A481-H483 PolarHBondContact O-N 3.18Å |
| 484 | M | 98.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.1 | -179.9 | -58.5 | -55.9 | -63.6 | 0 | 0 | 111 | L311 L312 Y313 V467 | L311-M484 HydrophobicContact CB-CE 3.59Å; L312-M484 CarbonylContact O-C 3.57Å; L312-M484 VanDerWaalsContact O-CA 3.3Å; L312-M484 WeakPolarHBondContact O-CA 3.36Å; Y313-M484 HydrophobicContact CD1-CE 3.95Å; Y313-M484 HydrophobicContact CD1-SD 3.26Å; Y313-M484 WeakPolarHBondContact CD1-SD 3.45Å; Y313-M484 HydrophobicContact CD2-CE 3.98Å; Y313-M484 HydrophobicContact CD2-SD 4.35Å; Y313-M484 HydrophobicContact CE1-CE 3.92Å; Y313-M484 HydrophobicContact CE1-SD 3.43Å; Y313-M484 WeakPolarHBondContact CE1-SD 3.35Å; Y313-M484 HydrophobicContact CE2-CE 3.93Å; Y313-M484 HydrophobicContact CE2-SD 4.48Å; Y313-M484 HydrophobicContact CG-CE 4Å; Y313-M484 HydrophobicContact CG-SD 3.79Å; V467-M484 HydrophobicContact CB-CB 4.02Å; V467-M484 HydrophobicContact CG2-CB 3.95Å; V467-M484 PolarHBondContact N-O 2.92Å |
| 485 | F | 98.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 8% | 0.083 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.9 | -179.9 | -49.9 | -89.6 | 0 | 0 | 0 | 111.4 | L311 L312 N314 K346 C464 W465 P466 D482 | L311-F485 CarbonylContact C-O 3.55Å; L311-F485 WeakPolarHBondContact CA-O 3.4Å; L312-F485 HydrophobicContact CB-CB 4.49Å; L312-F485 PolarHBondContact N-O 3.01Å; L312-F485 PolarHBondContact O-N 3.44Å; N314-F485 HydrophobicContact CB-CE2 3.96Å; K346-F485 HydrophobicContact CD-CB 4.03Å; K346-F485 HydrophobicContact CD-CD2 3.69Å; K346-F485 HydrophobicContact CD-CE2 4.28Å; K346-F485 HydrophobicContact CD-CG 3.85Å; K346-F485 VanDerWaalsContact CE-CG 3.5Å; K346-F485 HydrophobicContact CG-CD2 3.99Å; K346-F485 HydrophobicContact CG-CE2 4.26Å; C464-F485 HydrophobicContact CB-CB 3.72Å; C464-F485 HydrophobicContact CB-CG 4.49Å; C464-F485 WeakPolarHBondContact O-CD1 3.49Å; W465-F485 CarbonylContact O-C 3.38Å; W465-F485 VanDerWaalsContact O-CA 3.26Å; W465-F485 WeakPolarHBondContact O-CA 3.26Å; P466-F485 HydrophobicContact CB-CD1 4.05Å; P466-F485 HydrophobicContact CB-CE1 4.16Å; D482-F485 WeakPolarHBondContact OD1-CZ 3.48Å |
| 486 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.1 | 177.2 | 177.1 | 62.2 | 0 | 0 | 0 | 111 | L311 W454 Q455 C464 W465 W473 P488 | L311-L486 HydrophobicContact CD2-CB 4.31Å; L311-L486 HydrophobicContact CD2-CD1 4.31Å; W454-L486 HydrophobicContact CE3-CD1 4.09Å; W454-L486 HydrophobicContact CZ3-CD1 3.71Å; Q455-L486 HydrophobicContact CB-CD2 4.14Å; C464-L486 CarbonylContact C-O 3.52Å; C464-L486 VanDerWaalsContact CA-O 3.26Å; C464-L486 WeakPolarHBondContact CA-O 3.33Å; W465-L486 HydrophobicContact CE3-CB 4.18Å; W465-L486 HydrophobicContact CE3-CD2 3.88Å; W465-L486 HydrophobicContact CE3-CG 3.98Å; W465-L486 HydrophobicContact CZ3-CD2 4.26Å; W465-L486 HydrophobicContact CZ3-CG 4.39Å; W465-L486 PolarHBondContact N-O 3.34Å; W465-L486 PolarHBondContact O-N 2.98Å; W473-L486 HydrophobicContact CH2-CB 4.18Å; W473-L486 HydrophobicContact CH2-CD2 3.78Å; W473-L486 HydrophobicContact CZ3-CD2 3.96Å; L486-P488 WeakPolarHBondContact O-CD 3.45Å |
| 487 | D | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -73.6 | 121.4 | 175 | -174.1 | -2.6 | 0 | 0 | 0 | 111.7 | G310 L312 Y336 Y343 V489 K490 | G310-D487 VanDerWaalsContact O-CB 3.32Å; G310-D487 WeakPolarHBondContact O-CB 3.37Å; G310-D487 PolarHBondContact O-N 3.36Å; L312-D487 HydrophobicContact CD1-CB 3.93Å; L312-D487 HydrophobicContact CG-CB 4.46Å; Y336-D487 PolarHBondContact OH-OD2 2.64Å; Y343-D487 WeakPolarHBondContact CE1-OD1 3.49Å; Y343-D487 PolarHBondContact OH-OD1 3.02Å; D487-V489 PolarHBondContact O-N 3.48Å; D487-V489 VanDerWaalsContact O-N 3.13Å; D487-V489 WeakPolarHBondContact OD1-CG2 3.37Å; D487-V489 PolarHBondContact OD1-N 3.42Å; D487-K490 HydrophobicContact CB-CB 4.43Å; D487-K490 HydrophobicContact CB-CG 3.99Å; D487-K490 PolarHBondContact O-N 2.97Å; D487-K490 VanDerWaalsContact O-N 3.14Å; D487-K490 IonicContact OD2-NZ 3.36Å | ||
| 488 | P | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -37.9 | -179.6 | -31.7 | 38.1 | 0 | 0 | 0 | 114.9 | I342 V429 A432 R436 E463 W465 L486 K490 | I342-P488 HydrophobicContact CD1-CG 4.1Å; V429-P488 HydrophobicContact CG1-CB 4.29Å; A432-P488 WeakPolarHBondContact CB-O 3.32Å; R436-P488 PolarHBondContact NE-O 3.18Å; R436-P488 PolarHBondContact NH2-O 3.27Å; E463-P488 WeakPolarHBondContact O-CG 3.36Å; W465-P488 HydrophobicContact CE3-CG 4.48Å; W465-P488 HydrophobicContact CH2-CB 3.87Å; W465-P488 HydrophobicContact CH2-CG 3.93Å; W465-P488 HydrophobicContact CZ2-CG 4.47Å; W465-P488 HydrophobicContact CZ3-CB 4.04Å; W465-P488 HydrophobicContact CZ3-CG 3.94Å; L486-P488 WeakPolarHBondContact O-CD 3.45Å; P488-K490 PolarHBondContact O-N 3.17Å |
| 489 | V | 98.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -2.5 | -173.4 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | Y336 M368 V429 A432 D487 F537 | Y336-V489 HydrophobicContact CE1-CG2 4.42Å; Y336-V489 HydrophobicContact CE2-CG2 4.05Å; Y336-V489 VanDerWaalsContact OH-CG2 3.26Å; Y336-V489 WeakPolarHBondContact OH-CG2 3.37Å; M368-V489 HydrophobicContact CE-CG2 4.2Å; V429-V489 HydrophobicContact CG2-CG1 3.94Å; A432-V489 HydrophobicContact CB-CB 4.47Å; A432-V489 HydrophobicContact CB-CG1 4.22Å; D487-V489 PolarHBondContact O-N 3.48Å; D487-V489 VanDerWaalsContact O-N 3.13Å; D487-V489 WeakPolarHBondContact OD1-CG2 3.37Å; D487-V489 PolarHBondContact OD1-N 3.42Å; V489-F537 HydrophobicContact CB-CB 4.15Å; V489-F537 PolarHBondContact O-N 3.47Å |
| 490 | K | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 86.6 | 176.3 | -57.4 | -66.7 | 173.4 | 54.1 | 0 | 108.9 | W333 Y336 R436 D487 P488 T492 L534 L536 | W333-K490 PolarHBondContact O-NZ 3.37Å; Y336-K490 VanDerWaalsContact OH-CE 3.24Å; Y336-K490 WeakPolarHBondContact OH-CE 3.32Å; Y336-K490 PolarHBondContact OH-NZ 2.66Å; R436-K490 PolarHBondContact NH2-O 3.44Å; D487-K490 HydrophobicContact CB-CB 4.43Å; D487-K490 HydrophobicContact CB-CG 3.99Å; D487-K490 PolarHBondContact O-N 2.97Å; D487-K490 VanDerWaalsContact O-N 3.14Å; D487-K490 IonicContact OD2-NZ 3.36Å; P488-K490 PolarHBondContact O-N 3.17Å; K490-T492 PolarHBondContact O-N 3.03Å; K490-L534 HydrophobicContact CB-CD1 4.28Å; K490-L536 HydrophobicContact CD-CD2 3.38Å |
| 491 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 109.1 | -171.9 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | A432 F435 R436 I453 I493 F535 F537 | A432-V491 HydrophobicContact CB-CG2 4.27Å; F435-V491 HydrophobicContact CD1-CG1 3.98Å; F435-V491 HydrophobicContact CE1-CG1 3.99Å; R436-V491 HydrophobicContact CG-CG1 4.26Å; R436-V491 HydrophobicContact CG-CG2 4.17Å; I453-V491 HydrophobicContact CD1-CG1 3.9Å; V491-I493 HydrophobicContact CG1-CG1 4.39Å; V491-F535 PolarHBondContact N-O 3.15Å; V491-F535 PolarHBondContact O-N 3.3Å; V491-F537 HydrophobicContact CB-CD2 3.99Å; V491-F537 HydrophobicContact CB-CE2 3.77Å; V491-F537 HydrophobicContact CG1-CE2 4.39Å; V491-F537 HydrophobicContact CG2-CD2 3.41Å; V491-F537 VanDerWaalsContact CG2-CD2 3.41Å; V491-F537 HydrophobicContact CG2-CE2 3.47Å; V491-F537 VanDerWaalsContact CG2-CE2 3.47Å; V491-F537 HydrophobicContact CG2-CG 4.31Å; V491-F537 HydrophobicContact CG2-CZ 4.39Å |
| 492 | T | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 110.3 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | I271 W454 K490 L494 N532 L533 L534 | I271-T492 HydrophobicContact CD1-CG2 4.04Å; W454-T492 HydrophobicContact CB-CG2 4.01Å; W454-T492 PolarHBondContact N-O 3Å; K490-T492 PolarHBondContact O-N 3.03Å; T492-L494 HydrophobicContact CG2-CD2 4.3Å; T492-N532 HydrophobicContact CG2-CB 3.84Å; T492-L533 CarbonylContact C-O 3.44Å; T492-L533 WeakPolarHBondContact CA-O 3.21Å; T492-L534 WeakPolarHBondContact OG1-CD1 3.47Å |
| 493 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 134.5 | 174.8 | -63 | -178.5 | 0 | 0 | 0 | 108.9 | F435 F451 D452 I453 V491 N532 L533 F535 L553 | F435-I493 HydrophobicContact CE1-CD1 3.99Å; F435-I493 HydrophobicContact CZ-CD1 4.05Å; F451-I493 HydrophobicContact CB-CG2 3.76Å; F451-I493 HydrophobicContact CD1-CG2 3.82Å; F451-I493 HydrophobicContact CG-CG2 4.03Å; D452-I493 CarbonylContact O-C 3.59Å; D452-I493 WeakPolarHBondContact O-CA 3.44Å; I453-I493 HydrophobicContact CD1-CG1 3.78Å; V491-I493 HydrophobicContact CG1-CG1 4.39Å; I493-N532 CarbonylContact O-C 3.48Å; I493-N532 WeakPolarHBondContact O-CA 3.26Å; I493-L533 HydrophobicContact CB-CB 4.39Å; I493-L533 PolarHBondContact N-O 3.03Å; I493-L533 PolarHBondContact O-N 3.27Å; I493-F535 HydrophobicContact CD1-CD2 3.76Å; I493-F535 HydrophobicContact CD1-CE2 3.64Å; I493-F535 HydrophobicContact CG1-CD2 4.11Å; I493-F535 HydrophobicContact CG1-CE2 4.22Å; I493-L553 HydrophobicContact CD1-CD1 3.6Å; I493-L553 HydrophobicContact CD1-CD2 4.27Å |
| 494 | L | 98.2 | Very high | 95.6 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141.2 | 174.5 | -52.7 | 179.2 | 0 | 0 | 0 | 111 | L269 F451 D452 W454 T492 E500 Y531 N532 | L269-L494 HydrophobicContact CD1-CD1 4.27Å; L269-L494 HydrophobicContact CD1-CD2 3.67Å; L269-L494 HydrophobicContact CD2-CD2 4.22Å; F451-L494 WeakPolarHBondContact CA-O 3.37Å; D452-L494 HydrophobicContact CB-CB 3.93Å; D452-L494 HydrophobicContact CB-CD1 4.35Å; D452-L494 HydrophobicContact CB-CG 4.45Å; D452-L494 PolarHBondContact N-O 2.79Å; D452-L494 PolarHBondContact O-N 3.33Å; W454-L494 HydrophobicContact CB-CD1 4.14Å; W454-L494 HydrophobicContact CB-CD2 4.01Å; W454-L494 HydrophobicContact CB-CG 4.07Å; T492-L494 HydrophobicContact CG2-CD2 4.3Å; L494-E500 HydrophobicContact CD1-CG 4.22Å; L494-E500 WeakPolarHBondContact CD1-OE1 3.31Å; L494-Y531 CarbonylContact C-O 3.55Å; L494-Y531 WeakPolarHBondContact CA-O 3.46Å; L494-N532 HydrophobicContact CD2-CB 3.79Å |
| 495 | T | 98.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | trans | -104.1 | 151.9 | 173 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | F451 I509 A511 V514 Y531 L533 | F451-T495 HydrophobicContact CD1-CG2 4.04Å; F451-T495 HydrophobicContact CE1-CG2 3.9Å; T495-I509 WeakPolarHBondContact CB-O 3.36Å; T495-I509 PolarHBondContact OG1-O 2.99Å; T495-A511 HydrophobicContact CG2-CB 4.03Å; T495-V514 HydrophobicContact CG2-CG2 4Å; T495-Y531 PolarHBondContact N-O 2.84Å; T495-Y531 VanDerWaalsContact OG1-CA 3.32Å; T495-Y531 WeakPolarHBondContact OG1-CA 3.41Å; T495-Y531 PolarHBondContact OG1-O 3.17Å; T495-L533 HydrophobicContact CG2-CD1 4.32Å | ||
| 496 | P | 97.5 | Very high | 95.2 | Very high | 35 Ų | 35 | 29.5 Ų | 29.5 | 23% | 0.227 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 145.4 | 177.2 | -22.5 | 31.7 | 0 | 0 | 0 | 112.3 | W449 G508 I509 Y531 | W449-P496 HydrophobicContact CB-CG 4.13Å; W449-P496 HydrophobicContact CD2-CG 4.05Å; W449-P496 HydrophobicContact CE3-CG 3.43Å; W449-P496 VanDerWaalsContact CE3-CG 3.43Å; W449-P496 HydrophobicContact CG-CG 4.37Å; W449-P496 HydrophobicContact CZ3-CG 4.16Å; P496-G508 CarbonylContact O-C 3.57Å; P496-G508 VanDerWaalsContact O-CA 3.29Å; P496-G508 WeakPolarHBondContact O-CA 3.22Å; P496-I509 HydrophobicContact CG-CD1 4.36Å; P496-I509 PolarHBondContact O-N 2.8Å; P496-Y531 WeakPolarHBondContact O-CD1 3.36Å |
| 497 | G | 95.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 141.7 | -22.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S505 H594 | G497-S505 PolarHBondContact O-N 3.49Å; G497-H594 PolarHBondContact O-CE1 3.32Å |
| 498 | M | 93.7 | Very high | 95.1 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -153.3 | 138.7 | 176.4 | -168.6 | 177.4 | 65.1 | 0 | 0 | 109.9 | A268 L269 N503 M504 Y531 P603 | A268-M498 HydrophobicContact CB-CE 4.41Å; A268-M498 HydrophobicContact CB-SD 4.46Å; A268-M498 VanDerWaalsContact O-CE 3.24Å; A268-M498 WeakPolarHBondContact O-CE 3.41Å; L269-M498 VanDerWaalsContact CA-CE 3.5Å; L269-M498 HydrophobicContact CB-CE 4.32Å; L269-M498 HydrophobicContact CD2-CE 3.56Å; L269-M498 HydrophobicContact CG-CE 4.06Å; M498-N503 WeakPolarHBondContact CA-O 3.34Å; M498-M504 HydrophobicContact CB-SD 3.76Å; M498-M504 HydrophobicContact CG-SD 3.65Å; M498-M504 HydrophobicContact SD-SD 3.67Å; M498-M504 VanDerWaalsContact SD-SD 3.67Å; M498-Y531 HydrophobicContact CB-CD2 3.66Å; M498-Y531 HydrophobicContact CB-CE2 4.01Å; M498-Y531 HydrophobicContact CB-CG 4.23Å; M498-Y531 HydrophobicContact CE-CD2 4.12Å; M498-P603 HydrophobicContact CE-CB 4.37Å; M498-P603 HydrophobicContact CE-CG 4.27Å; M498-P603 HydrophobicContact SD-CB 3.54Å; M498-P603 VanDerWaalsContact SD-CB 3.54Å; M498-P603 HydrophobicContact SD-CG 3.27Å; M498-P603 WeakPolarHBondContact SD-CG 3.45Å |
| 499 | D | 90.2 | Very high | 95 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 25% | 0.251 | 19% | 0.193 | S | C | . | . | trans | -82.3 | 174.1 | 168.8 | 69.4 | 18.5 | 0 | 0 | 0 | 111.9 | Q501 G502 N503 | D499-Q501 PolarHBondContact O-N 2.98Å; D499-Q501 WeakPolarHBondContact OD1-CA 3.48Å; D499-Q501 PolarHBondContact OD1-N 3.3Å; D499-Q501 VanDerWaalsContact OD1-N 3.08Å; D499-G502 PolarHBondContact O-N 3.02Å; D499-G502 VanDerWaalsContact O-N 3.1Å; D499-G502 PolarHBondContact OD1-N 3.14Å; D499-N503 PolarHBondContact N-O 2.89Å; D499-N503 VanDerWaalsContact N-O 3.14Å; D499-N503 PolarHBondContact OD1-N 3.23Å; D499-N503 PolarHBondContact OD1-ND2 3.23Å; D499-N503 VanDerWaalsContact OD2-CB 3.28Å; D499-N503 WeakPolarHBondContact OD2-CB 3.42Å; D499-N503 PolarHBondContact OD2-ND2 2.95Å | ||
| 500 | E | 89.3 | Confident | 94.9 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 17% | 0.168 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16 | -176.2 | -56.6 | 92.1 | 162.2 | 0 | 0 | 113.2 | L269 W473 G475 L494 | L269-E500 HydrophobicContact CD1-CB 4.37Å; L269-E500 HydrophobicContact CD1-CG 3.84Å; W473-E500 VanDerWaalsContact O-CG 3.31Å; W473-E500 WeakPolarHBondContact O-CG 3.48Å; G475-E500 WeakPolarHBondContact CA-O 3.45Å; L494-E500 HydrophobicContact CD1-CG 4.22Å; L494-E500 WeakPolarHBondContact CD1-OE1 3.31Å |
| 501 | Q | 86.8 | Confident | 94.8 | Very high | 73 Ų | 73 | 36.3 Ų | 36.3 | 34% | 0.341 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.2 | 175.5 | -60.6 | 75.2 | 50.7 | 0 | 0 | 112.4 | Q472 D499 | Q472-Q501 PolarHBondContact O-NE2 2.96Å; D499-Q501 PolarHBondContact O-N 2.98Å; D499-Q501 WeakPolarHBondContact OD1-CA 3.48Å; D499-Q501 PolarHBondContact OD1-N 3.3Å; D499-Q501 VanDerWaalsContact OD1-N 3.08Å |
| 502 | G | 88.6 | Confident | 94.6 | Very high | 22 Ų | 22 | 38 Ų | 38 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | trans | 94 | 10.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A268 D499 M504 | A268-G502 VanDerWaalsContact CB-N 3.32Å; D499-G502 PolarHBondContact O-N 3.02Å; D499-G502 VanDerWaalsContact O-N 3.1Å; D499-G502 PolarHBondContact OD1-N 3.14Å; G502-M504 PolarHBondContact O-N 3.45Å | ||
| 503 | N | 91.7 | Very high | 94.5 | Very high | 100 Ų | 100 | 38 Ų | 38 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -73.6 | 119.3 | 173.8 | -51.2 | -63.8 | 0 | 0 | 0 | 108.9 | M498 D499 | M498-N503 WeakPolarHBondContact CA-O 3.34Å; D499-N503 PolarHBondContact N-O 2.89Å; D499-N503 VanDerWaalsContact N-O 3.14Å; D499-N503 PolarHBondContact OD1-N 3.23Å; D499-N503 PolarHBondContact OD1-ND2 3.23Å; D499-N503 VanDerWaalsContact OD2-CB 3.28Å; D499-N503 WeakPolarHBondContact OD2-CB 3.42Å; D499-N503 PolarHBondContact OD2-ND2 2.95Å |
| 504 | M | 94.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 38 Ų | 38 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -80.6 | 128.4 | 179.7 | -65.3 | -64.7 | -65.2 | 0 | 0 | 110.7 | M498 G502 Y531 I597 R598 P603 | M498-M504 HydrophobicContact CB-SD 3.76Å; M498-M504 HydrophobicContact CG-SD 3.65Å; M498-M504 HydrophobicContact SD-SD 3.67Å; M498-M504 VanDerWaalsContact SD-SD 3.67Å; G502-M504 PolarHBondContact O-N 3.45Å; M504-Y531 HydrophobicContact CE-CE2 3.86Å; M504-Y531 WeakPolarHBondContact CE-OH 3.28Å; M504-Y531 HydrophobicContact SD-CE2 4.28Å; M504-I597 HydrophobicContact CE-CG2 3.74Å; M504-R598 HydrophobicContact CB-CG 3.98Å; M504-R598 HydrophobicContact CE-CG 3.41Å; M504-R598 VanDerWaalsContact CE-CG 3.41Å; M504-R598 HydrophobicContact CG-CG 4.21Å; M504-P603 HydrophobicContact SD-CG 3.91Å |
| 505 | S | 94.7 | Very high | 94.4 | Very high | 58 Ų | 58 | 38.2 Ų | 38.2 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 166.8 | 171.4 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | G497 E507 H594 R598 | G497-S505 PolarHBondContact O-N 3.49Å; S505-E507 WeakPolarHBondContact CB-O 3.42Å; S505-H594 PolarHBondContact O-NE2 2.88Å; S505-H594 VanDerWaalsContact O-NE2 3.1Å; S505-R598 WeakPolarHBondContact O-CD 3.38Å; S505-R598 PolarHBondContact O-NE 2.83Å |
| 506 | E | 93.9 | Very high | 94.4 | Very high | 162 Ų | 162 | 41 Ų | 41 | 76% | 0.757 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -67.2 | -43.1 | 173.7 | -173.6 | 173.5 | -179.2 | 0 | 0 | 111.7 | H594 R598 | E506-H594 PolarHBondContact O-CD2 3.38Å; E506-H594 PolarHBondContact O-NE2 3.5Å; E506-R598 PolarHBondContact O-NH1 2.64Å |
| 507 | E | 95.8 | Very high | 94.4 | Very high | 136 Ų | 136 | 39.3 Ų | 39.3 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -114.8 | 151.5 | 176 | -61.2 | -172 | 161 | 0 | 0 | 110.8 | S505 Q591 | S505-E507 WeakPolarHBondContact CB-O 3.42Å; E507-Q591 VanDerWaalsContact CA-OE1 3.28Å |
| 508 | G | 97.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -158.9 | 165.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P496 Q591 H594 | P496-G508 CarbonylContact O-C 3.57Å; P496-G508 VanDerWaalsContact O-CA 3.29Å; P496-G508 WeakPolarHBondContact O-CA 3.22Å; G508-Q591 PolarHBondContact O-NE2 2.77Å; G508-H594 PolarHBondContact N-CD2 3.33Å | ||
| 509 | I | 98.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -123.3 | 97.3 | -180 | -56.2 | 177.4 | 0 | 0 | 0 | 107.1 | W449 T495 P496 A511 V514 F556 Y560 | W449-I509 HydrophobicContact CD2-CD1 3.7Å; W449-I509 VanDerWaalsContact CE2-CD1 3.47Å; W449-I509 HydrophobicContact CE3-CD1 3.77Å; W449-I509 HydrophobicContact CH2-CD1 3.35Å; W449-I509 HydrophobicContact CZ2-CD1 3.29Å; W449-I509 HydrophobicContact CZ3-CD1 3.6Å; T495-I509 WeakPolarHBondContact CB-O 3.36Å; T495-I509 PolarHBondContact OG1-O 2.99Å; P496-I509 HydrophobicContact CG-CD1 4.36Å; P496-I509 PolarHBondContact O-N 2.8Å; I509-A511 PolarHBondContact O-N 3.36Å; I509-V514 HydrophobicContact CG2-CG2 4.07Å; I509-F556 HydrophobicContact CD1-CE1 4.48Å; I509-F556 HydrophobicContact CG2-CE1 3.84Å; I509-F556 HydrophobicContact CG2-CZ 3.76Å; I509-Y560 HydrophobicContact CD1-CD1 3.97Å; I509-Y560 HydrophobicContact CD1-CD2 4.32Å; I509-Y560 HydrophobicContact CD1-CE1 3.69Å; I509-Y560 HydrophobicContact CD1-CE2 4.08Å; I509-Y560 HydrophobicContact CD1-CG 4.28Å; I509-Y560 HydrophobicContact CG1-CE1 4.16Å; I509-Y560 HydrophobicContact CG1-CE2 4.01Å | ||
| 510 | P | 95.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -56.6 | 133 | 176.5 | -28.5 | 37 | 0 | 0 | 0 | 111.9 | A512 L513 P530 I593 H594 I597 | P510-A512 PolarHBondContact O-N 3.12Å; P510-A512 VanDerWaalsContact O-N 3.17Å; P510-L513 WeakPolarHBondContact O-CB 3.29Å; P510-L513 PolarHBondContact O-N 2.97Å; P510-P530 WeakPolarHBondContact CA-O 3.44Å; P510-I593 HydrophobicContact CB-CG2 3.9Å; P510-I593 HydrophobicContact CG-CB 3.86Å; P510-I593 HydrophobicContact CG-CG2 3.54Å; P510-H594 HydrophobicContact CG-CB 4.39Å; P510-I597 HydrophobicContact CB-CD1 4.31Å; P510-I597 HydrophobicContact CG-CD1 4.11Å | ||
| 511 | A | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -28.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T495 I509 L513 V514 A515 T528 G529 P530 L533 | T495-A511 HydrophobicContact CG2-CB 4.03Å; I509-A511 PolarHBondContact O-N 3.36Å; A511-L513 PolarHBondContact O-N 3.41Å; A511-V514 WeakPolarHBondContact O-CB 3.4Å; A511-V514 PolarHBondContact O-N 3.29Å; A511-A515 PolarHBondContact O-N 2.97Å; A511-T528 HydrophobicContact CB-CG2 3.96Å; A511-G529 WeakPolarHBondContact CB-O 3.42Å; A511-P530 PolarHBondContact N-O 3.04Å; A511-L533 HydrophobicContact CB-CD2 3.81Å; A511-L533 HydrophobicContact CB-CG 3.96Å |
| 512 | A | 93.9 | Very high | 95.5 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.2 | -32.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P510 K516 T528 F689 | P510-A512 PolarHBondContact O-N 3.12Å; P510-A512 VanDerWaalsContact O-N 3.17Å; A512-K516 WeakPolarHBondContact O-CG 3.26Å; A512-K516 PolarHBondContact O-N 2.81Å; A512-K516 VanDerWaalsContact O-N 3.11Å; A512-T528 HydrophobicContact CB-CG2 4.46Å; A512-F689 HydrophobicContact CB-CD1 3.93Å; A512-F689 HydrophobicContact CB-CE1 3.81Å |
| 513 | L | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 175.6 | -73.2 | 167.9 | 0 | 0 | 0 | 112.1 | P510 A511 F517 L570 I586 L589 A590 I593 F689 | P510-L513 WeakPolarHBondContact O-CB 3.29Å; P510-L513 PolarHBondContact O-N 2.97Å; A511-L513 PolarHBondContact O-N 3.41Å; L513-F517 PolarHBondContact O-N 3.08Å; L513-L570 HydrophobicContact CD2-CD1 4.23Å; L513-I586 HydrophobicContact CD2-CD1 4.12Å; L513-L589 HydrophobicContact CD2-CD2 3.5Å; L513-L589 HydrophobicContact CD2-CG 3.87Å; L513-A590 VanDerWaalsContact CD1-CA 3.48Å; L513-A590 HydrophobicContact CD1-CB 3.59Å; L513-I593 HydrophobicContact CD1-CD1 4.39Å; L513-I593 HydrophobicContact CD2-CD1 4.43Å; L513-I593 HydrophobicContact CG-CD1 4.38Å; L513-F689 HydrophobicContact CD2-CE1 4.1Å; L513-F689 HydrophobicContact CD2-CE2 4.48Å; L513-F689 HydrophobicContact CD2-CZ 3.51Å; L513-F689 HydrophobicContact CG-CE1 4.3Å; L513-F689 HydrophobicContact CG-CZ 4.2Å |
| 514 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 178.2 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | F451 T495 I509 A511 F517 L518 L533 L553 F556 | F451-V514 HydrophobicContact CE1-CG1 3.94Å; F451-V514 HydrophobicContact CE1-CG2 3.95Å; F451-V514 HydrophobicContact CZ-CG1 3.96Å; F451-V514 HydrophobicContact CZ-CG2 4.27Å; T495-V514 HydrophobicContact CG2-CG2 4Å; I509-V514 HydrophobicContact CG2-CG2 4.07Å; A511-V514 WeakPolarHBondContact O-CB 3.4Å; A511-V514 PolarHBondContact O-N 3.29Å; V514-F517 WeakPolarHBondContact O-CB 3.41Å; V514-F517 PolarHBondContact O-N 2.93Å; V514-L518 HydrophobicContact CG1-CD1 4.12Å; V514-L518 HydrophobicContact CG1-CG 4.38Å; V514-L518 VanDerWaalsContact O-CG 3.29Å; V514-L518 WeakPolarHBondContact O-CG 3.44Å; V514-L518 PolarHBondContact O-N 3.36Å; V514-L533 HydrophobicContact CB-CD1 3.8Å; V514-L533 HydrophobicContact CG1-CD1 3.54Å; V514-L553 HydrophobicContact CG1-CD2 4.41Å; V514-F556 HydrophobicContact CB-CE2 4.32Å; V514-F556 HydrophobicContact CG1-CD2 4.44Å; V514-F556 HydrophobicContact CG1-CG 4.48Å; V514-F556 HydrophobicContact CG2-CD1 4.3Å; V514-F556 HydrophobicContact CG2-CD2 4.38Å; V514-F556 HydrophobicContact CG2-CE1 3.84Å; V514-F556 HydrophobicContact CG2-CE2 3.91Å; V514-F556 HydrophobicContact CG2-CZ 3.62Å |
| 515 | A | 97.2 | Very high | 96.2 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58 | -49.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A511 F517 L518 D519 V525 T528 L533 | A511-A515 PolarHBondContact O-N 2.97Å; A515-F517 VanDerWaalsContact C-N 3.32Å; A515-F517 PolarHBondContact O-N 3.27Å; A515-L518 PolarHBondContact O-N 3.31Å; A515-D519 PolarHBondContact O-N 3.36Å; A515-V525 HydrophobicContact CB-CB 4.37Å; A515-V525 HydrophobicContact CB-CG2 3.91Å; A515-T528 HydrophobicContact CB-CG2 4.27Å; A515-L533 HydrophobicContact CB-CD2 4.03Å |
| 516 | K | 96.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 174.9 | -73.3 | -178.5 | -179.7 | -69.7 | 0 | 112.5 | A512 L518 D519 E520 L570 L573 G688 F689 | A512-K516 WeakPolarHBondContact O-CG 3.26Å; A512-K516 PolarHBondContact O-N 2.81Å; A512-K516 VanDerWaalsContact O-N 3.11Å; K516-L518 VanDerWaalsContact C-N 3.33Å; K516-L518 PolarHBondContact O-N 3.23Å; K516-D519 PolarHBondContact O-N 3.43Å; K516-E520 VanDerWaalsContact O-CG 3.26Å; K516-E520 WeakPolarHBondContact O-CG 3.43Å; K516-E520 PolarHBondContact O-N 2.87Å; K516-L570 HydrophobicContact CB-CD2 4.12Å; K516-L573 HydrophobicContact CD-CD1 4.16Å; K516-L573 HydrophobicContact CD-CD2 4.29Å; K516-G688 WeakPolarHBondContact CE-O 3.28Å; K516-G688 PolarHBondContact NZ-O 2.89Å; K516-F689 HydrophobicContact CD-CE1 4.08Å; K516-F689 HydrophobicContact CD-CE2 4.48Å; K516-F689 HydrophobicContact CD-CZ 3.84Å |
| 517 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 178 | -179.8 | -91.1 | 0 | 0 | 0 | 113.6 | L513 V514 A515 R521 G552 E555 F556 M569 L570 | L513-F517 PolarHBondContact O-N 3.08Å; V514-F517 WeakPolarHBondContact O-CB 3.41Å; V514-F517 PolarHBondContact O-N 2.93Å; A515-F517 VanDerWaalsContact C-N 3.32Å; A515-F517 PolarHBondContact O-N 3.27Å; F517-R521 VanDerWaalsContact CE1-CZ 3.45Å; F517-R521 VanDerWaalsContact CE1-NE 3.33Å; F517-R521 VanDerWaalsContact CE2-NH1 3.28Å; F517-R521 VanDerWaalsContact CE2-NH2 3.27Å; F517-R521 VanDerWaalsContact CZ-NE 3.3Å; F517-R521 PolarHBondContact O-NH1 2.94Å; F517-G552 WeakPolarHBondContact CE1-O 3.48Å; F517-E555 HydrophobicContact CE1-CB 4.35Å; F517-E555 HydrophobicContact CZ-CB 4.19Å; F517-E555 HydrophobicContact CZ-CG 4.06Å; F517-F556 HydrophobicContact CB-CD2 3.6Å; F517-F556 HydrophobicContact CB-CE2 4.06Å; F517-F556 HydrophobicContact CD1-CB 3.69Å; F517-F556 AromaticContact CD1-CD2 3.73Å; F517-F556 HydrophobicContact CD1-CD2 3.73Å; F517-F556 HydrophobicContact CD1-CG 4.21Å; F517-F556 AromaticContact CD2-CD2 3.99Å; F517-F556 HydrophobicContact CD2-CD2 3.99Å; F517-F556 HydrophobicContact CE1-CB 3.59Å; F517-F556 HydrophobicContact CE1-CD2 4.35Å; F517-F556 HydrophobicContact CE1-CG 4.49Å; F517-F556 HydrophobicContact CG-CB 4.32Å; F517-F556 AromaticContact CG-CD2 3.51Å; F517-F556 HydrophobicContact CG-CD2 3.51Å; F517-F556 HydrophobicContact CG-CE2 4.36Å; F517-F556 HydrophobicContact CG-CG 4.39Å; F517-F556 HydrophobicContact CZ-CB 4.12Å; F517-M569 HydrophobicContact CD2-CE 3.53Å; F517-M569 HydrophobicContact CD2-CG 3.74Å; F517-M569 HydrophobicContact CE2-CE 3.71Å; F517-M569 HydrophobicContact CE2-CG 3.83Å; F517-M569 HydrophobicContact CG-CE 4.34Å; F517-L570 VanDerWaalsContact CA-CD2 3.46Å; F517-L570 HydrophobicContact CB-CD2 3.8Å; F517-L570 HydrophobicContact CD2-CD2 4.28Å |
| 518 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.7 | -37.2 | 176.9 | -71 | 176.3 | 0 | 0 | 0 | 111.3 | V514 A515 K516 E520 R521 G522 I523 V525 F535 L549 | V514-L518 HydrophobicContact CG1-CD1 4.12Å; V514-L518 HydrophobicContact CG1-CG 4.38Å; V514-L518 VanDerWaalsContact O-CG 3.29Å; V514-L518 WeakPolarHBondContact O-CG 3.44Å; V514-L518 PolarHBondContact O-N 3.36Å; A515-L518 PolarHBondContact O-N 3.31Å; K516-L518 VanDerWaalsContact C-N 3.33Å; K516-L518 PolarHBondContact O-N 3.23Å; L518-E520 VanDerWaalsContact C-N 3.35Å; L518-E520 PolarHBondContact O-N 3.41Å; L518-R521 CarbonylContact O-C 3.51Å; L518-R521 WeakPolarHBondContact O-CA 3.49Å; L518-R521 WeakPolarHBondContact O-CB 3.25Å; L518-R521 PolarHBondContact O-N 2.89Å; L518-G522 PolarHBondContact O-N 3.04Å; L518-I523 CarbonylContact C-O 3.59Å; L518-I523 VanDerWaalsContact C-O 3.25Å; L518-I523 HydrophobicContact CB-CB 4.07Å; L518-I523 HydrophobicContact CB-CG2 4.31Å; L518-I523 WeakPolarHBondContact CB-O 3.4Å; L518-I523 HydrophobicContact CD2-CD1 4.33Å; L518-I523 PolarHBondContact O-N 2.88Å; L518-V525 HydrophobicContact CD1-CG2 3.99Å; L518-F535 HydrophobicContact CD1-CE1 4.25Å; L518-F535 HydrophobicContact CD1-CZ 3.64Å; L518-L549 HydrophobicContact CD1-CD1 4.12Å; L518-L549 HydrophobicContact CD2-CD1 4.25Å |
| 519 | D | 96.7 | Very high | 95.7 | Very high | 93 Ų | 93 | 35.9 Ų | 35.9 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.6 | -164.1 | 56 | 0 | 0 | 0 | 112.1 | A515 K516 R521 G522 I523 | A515-D519 PolarHBondContact O-N 3.36Å; K516-D519 PolarHBondContact O-N 3.43Å; D519-R521 PolarHBondContact O-N 3.11Å; D519-G522 WeakPolarHBondContact O-CA 3.49Å; D519-G522 PolarHBondContact O-N 3.08Å; D519-I523 PolarHBondContact N-O 3.17Å |
| 520 | E | 94.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 36.2 Ų | 36.2 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -16.9 | 171 | -69 | -84.7 | -166.1 | 0 | 0 | 113.9 | K516 L518 L570 P571 D572 | K516-E520 VanDerWaalsContact O-CG 3.26Å; K516-E520 WeakPolarHBondContact O-CG 3.43Å; K516-E520 PolarHBondContact O-N 2.87Å; L518-E520 VanDerWaalsContact C-N 3.35Å; L518-E520 PolarHBondContact O-N 3.41Å; E520-L570 HydrophobicContact CG-CD2 4.39Å; E520-P571 VanDerWaalsContact CD-CD 3.46Å; E520-P571 WeakPolarHBondContact OE1-CD 3.36Å; E520-P571 WeakPolarHBondContact OE1-CG 3.5Å; E520-P571 VanDerWaalsContact OE1-N 3.15Å; E520-P571 WeakPolarHBondContact OE2-CD 3.4Å; E520-P571 VanDerWaalsContact OE2-CG 3.23Å; E520-P571 WeakPolarHBondContact OE2-CG 3.06Å; E520-D572 VanDerWaalsContact OE1-CB 3.27Å; E520-D572 WeakPolarHBondContact OE1-CB 3.46Å; E520-D572 PolarHBondContact OE1-N 2.96Å |
| 521 | R | 94.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 36 Ų | 36 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 10.9 | 177.4 | -72.6 | 155.6 | -179.6 | 69.4 | 9.2 | 112.5 | F517 L518 D519 I523 E555 | F517-R521 VanDerWaalsContact CE1-CZ 3.45Å; F517-R521 VanDerWaalsContact CE1-NE 3.33Å; F517-R521 VanDerWaalsContact CE2-NH1 3.28Å; F517-R521 VanDerWaalsContact CE2-NH2 3.27Å; F517-R521 VanDerWaalsContact CZ-NE 3.3Å; F517-R521 PolarHBondContact O-NH1 2.94Å; L518-R521 CarbonylContact O-C 3.51Å; L518-R521 WeakPolarHBondContact O-CA 3.49Å; L518-R521 WeakPolarHBondContact O-CB 3.25Å; L518-R521 PolarHBondContact O-N 2.89Å; D519-R521 PolarHBondContact O-N 3.11Å; R521-I523 VanDerWaalsContact C-N 3.35Å; R521-E555 IonicContact CZ-OE1 2.86Å; R521-E555 IonicContact CZ-OE2 3.82Å; R521-E555 VanDerWaalsContact NE-CD 3.34Å; R521-E555 IonicContact NE-OE1 3.63Å; R521-E555 PolarHBondContact NE-OE1 3.04Å; R521-E555 IonicContact NE-OE2 3.45Å; R521-E555 PolarHBondContact NE-OE2 2.74Å; R521-E555 IonicContact NH2-OE1 2.78Å; R521-E555 PolarHBondContact NH2-OE1 3.16Å; R521-E555 IonicContact NH2-OE2 3.85Å |
| 522 | G | 95.2 | Very high | 95.3 | Very high | 67 Ų | 67 | 36.1 Ų | 36.1 | 69% | 0.691 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 25.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L518 D519 | L518-G522 PolarHBondContact O-N 3.04Å; D519-G522 WeakPolarHBondContact O-CA 3.49Å; D519-G522 PolarHBondContact O-N 3.08Å |
| 523 | I | 97.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 19% | 0.19 | 20% | 0.196 | C | C | . | . | trans | -111.9 | 102.7 | 178.4 | -57.7 | 179 | 0 | 0 | 0 | 109.1 | L518 D519 R521 F535 L549 | L518-I523 CarbonylContact C-O 3.59Å; L518-I523 VanDerWaalsContact C-O 3.25Å; L518-I523 HydrophobicContact CB-CB 4.07Å; L518-I523 HydrophobicContact CB-CG2 4.31Å; L518-I523 WeakPolarHBondContact CB-O 3.4Å; L518-I523 HydrophobicContact CD2-CD1 4.33Å; L518-I523 PolarHBondContact O-N 2.88Å; D519-I523 PolarHBondContact N-O 3.17Å; R521-I523 VanDerWaalsContact C-N 3.35Å; I523-F535 HydrophobicContact CG2-CE1 4.17Å; I523-L549 HydrophobicContact CG2-CD1 4.04Å | ||
| 524 | V | 96.4 | Very high | 95.6 | Very high | 112 Ų | 112 | 34.6 Ų | 34.6 | 68% | 0.679 | 20% | 0.196 | S | C | * | . | trans | -79.1 | 130.3 | 178.6 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 525 | V | 96.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | trans | -88.7 | 130.5 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 109 | A515 L518 K527 L533 F535 | A515-V525 HydrophobicContact CB-CB 4.37Å; A515-V525 HydrophobicContact CB-CG2 3.91Å; L518-V525 HydrophobicContact CD1-CG2 3.99Å; V525-K527 WeakPolarHBondContact CG1-O 3.44Å; V525-L533 HydrophobicContact CG1-CB 3.99Å; V525-L533 HydrophobicContact CG1-CD2 3.8Å; V525-L533 HydrophobicContact CG2-CD2 4.24Å; V525-F535 HydrophobicContact CB-CE1 4.49Å; V525-F535 HydrophobicContact CB-CZ 4.49Å; V525-F535 HydrophobicContact CG1-CZ 4.27Å; V525-F535 HydrophobicContact CG2-CE1 3.99Å; V525-F535 HydrophobicContact CG2-CZ 3.8Å | ||
| 526 | E | 94.7 | Very high | 95.7 | Very high | 76 Ų | 76 | 35.7 Ų | 35.7 | 36% | 0.355 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -68.8 | -46.5 | -176.6 | -179.3 | 64.3 | -149.3 | 0 | 0 | 112 | Y308 W333 L534 L536 | Y308-E526 HydrophobicContact CE1-CG 3.81Å; Y308-E526 PolarHBondContact OH-OE1 2.8Å; W333-E526 WeakPolarHBondContact CH2-OE1 3.44Å; E526-L534 WeakPolarHBondContact CB-O 3.47Å; E526-L534 HydrophobicContact CG-CD2 4.39Å; E526-L534 PolarHBondContact N-O 2.82Å; E526-L534 VanDerWaalsContact N-O 3.17Å; E526-L536 HydrophobicContact CB-CD1 4.39Å; E526-L536 HydrophobicContact CB-CG 4.09Å; E526-L536 HydrophobicContact CG-CD1 3.68Å; E526-L536 HydrophobicContact CG-CD2 4.24Å; E526-L536 HydrophobicContact CG-CG 3.81Å |
| 527 | K | 92.7 | Very high | 95.7 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 135 | 176.9 | 167 | 173.7 | 172.4 | -81.7 | 0 | 110.1 | Y308 D309 V525 L533 L534 | Y308-K527 HydrophobicContact CD1-CB 4.09Å; Y308-K527 HydrophobicContact CD1-CD 3.55Å; Y308-K527 HydrophobicContact CD1-CG 4.48Å; Y308-K527 HydrophobicContact CE1-CB 3.53Å; Y308-K527 HydrophobicContact CE1-CD 3.82Å; Y308-K527 HydrophobicContact CE1-CG 4.31Å; Y308-K527 HydrophobicContact CG-CD 4.24Å; D309-K527 IonicContact OD1-NZ 2.94Å; D309-K527 PolarHBondContact OD1-NZ 2.86Å; D309-K527 IonicContact OD2-NZ 3.84Å; D309-K527 PolarHBondContact OD2-NZ 2.89Å; V525-K527 WeakPolarHBondContact CG1-O 3.44Å; K527-L533 WeakPolarHBondContact O-CA 3.31Å; K527-L534 HydrophobicContact CB-CB 4Å; K527-L534 HydrophobicContact CB-CD2 4.32Å; K527-L534 PolarHBondContact O-N 3Å |
| 528 | T | 92.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 34 Ų | 34 | 29% | 0.288 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.3 | 176.7 | -59 | 0 | 0 | 0 | 0 | 108.8 | A511 A512 A515 L533 | A511-T528 HydrophobicContact CB-CG2 3.96Å; A512-T528 HydrophobicContact CB-CG2 4.46Å; A515-T528 HydrophobicContact CB-CG2 4.27Å; T528-L533 HydrophobicContact CG2-CD2 3.92Å |
| 529 | G | 90.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | trans | -104.4 | -160.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A511 N532 | A511-G529 WeakPolarHBondContact CB-O 3.42Å; G529-N532 WeakPolarHBondContact CA-OD1 3.23Å; G529-N532 PolarHBondContact N-O 3.36Å; G529-N532 PolarHBondContact N-OD1 3.41Å | ||
| 530 | P | 90.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 7% | 0.071 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -63.3 | -44.6 | -178.4 | -24.5 | 35.4 | 0 | 0 | 0 | 113.5 | P510 A511 L602 P653 | P510-P530 WeakPolarHBondContact CA-O 3.44Å; A511-P530 PolarHBondContact N-O 3.04Å; P530-L602 HydrophobicContact CB-CD2 4.26Å; P530-L602 HydrophobicContact CG-CD2 3.62Å; P530-P653 HydrophobicContact CG-CG 4.35Å |
| 531 | Y | 95.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -135 | 23.3 | -176.4 | -63.1 | -75.8 | 0 | 0 | 0 | 113.1 | L494 T495 P496 M498 M504 H594 I597 | L494-Y531 CarbonylContact C-O 3.55Å; L494-Y531 WeakPolarHBondContact CA-O 3.46Å; T495-Y531 PolarHBondContact N-O 2.84Å; T495-Y531 VanDerWaalsContact OG1-CA 3.32Å; T495-Y531 WeakPolarHBondContact OG1-CA 3.41Å; T495-Y531 PolarHBondContact OG1-O 3.17Å; P496-Y531 WeakPolarHBondContact O-CD1 3.36Å; M498-Y531 HydrophobicContact CB-CD2 3.66Å; M498-Y531 HydrophobicContact CB-CE2 4.01Å; M498-Y531 HydrophobicContact CB-CG 4.23Å; M498-Y531 HydrophobicContact CE-CD2 4.12Å; M504-Y531 HydrophobicContact CE-CE2 3.86Å; M504-Y531 WeakPolarHBondContact CE-OH 3.28Å; M504-Y531 HydrophobicContact SD-CE2 4.28Å; Y531-H594 AromaticContact CE1-ND1 3.93Å; Y531-H594 AromaticContact CZ-ND1 3.63Å; Y531-H594 PolarHBondContact OH-ND1 3.05Å; Y531-I597 HydrophobicContact CE2-CD1 4.43Å; Y531-I597 HydrophobicContact CE2-CG2 4.03Å; Y531-I597 WeakPolarHBondContact OH-CD1 3.45Å |
| 532 | N | 96.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 146.9 | -179.6 | 62.3 | -22.1 | 0 | 0 | 0 | 113.1 | I271 T492 I493 L494 G529 | I271-N532 WeakPolarHBondContact CG1-ND2 3.19Å; T492-N532 HydrophobicContact CG2-CB 3.84Å; I493-N532 CarbonylContact O-C 3.48Å; I493-N532 WeakPolarHBondContact O-CA 3.26Å; L494-N532 HydrophobicContact CD2-CB 3.79Å; G529-N532 WeakPolarHBondContact CA-OD1 3.23Å; G529-N532 PolarHBondContact N-O 3.36Å; G529-N532 PolarHBondContact N-OD1 3.41Å |
| 533 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124.8 | 179.4 | -58.2 | 163.3 | 0 | 0 | 0 | 109 | T492 I493 T495 A511 V514 A515 V525 K527 T528 F535 | T492-L533 CarbonylContact C-O 3.44Å; T492-L533 WeakPolarHBondContact CA-O 3.21Å; I493-L533 HydrophobicContact CB-CB 4.39Å; I493-L533 PolarHBondContact N-O 3.03Å; I493-L533 PolarHBondContact O-N 3.27Å; T495-L533 HydrophobicContact CG2-CD1 4.32Å; A511-L533 HydrophobicContact CB-CD2 3.81Å; A511-L533 HydrophobicContact CB-CG 3.96Å; V514-L533 HydrophobicContact CB-CD1 3.8Å; V514-L533 HydrophobicContact CG1-CD1 3.54Å; A515-L533 HydrophobicContact CB-CD2 4.03Å; V525-L533 HydrophobicContact CG1-CB 3.99Å; V525-L533 HydrophobicContact CG1-CD2 3.8Å; V525-L533 HydrophobicContact CG2-CD2 4.24Å; K527-L533 WeakPolarHBondContact O-CA 3.31Å; T528-L533 HydrophobicContact CG2-CD2 3.92Å; L533-F535 HydrophobicContact CB-CD2 4.43Å; L533-F535 HydrophobicContact CB-CE2 3.64Å; L533-F535 HydrophobicContact CB-CZ 4.27Å; L533-F535 HydrophobicContact CD1-CE2 4.43Å |
| 534 | L | 98 | Very high | 95 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132.6 | 176.7 | -177.5 | 66.1 | 0 | 0 | 0 | 111.2 | Y308 K490 T492 E526 K527 L536 | Y308-L534 HydrophobicContact CD1-CD2 3.47Å; Y308-L534 VanDerWaalsContact CD1-CD2 3.47Å; Y308-L534 HydrophobicContact CE1-CD2 3.62Å; Y308-L534 WeakPolarHBondContact O-CD2 3.21Å; K490-L534 HydrophobicContact CB-CD1 4.28Å; T492-L534 WeakPolarHBondContact OG1-CD1 3.47Å; E526-L534 WeakPolarHBondContact CB-O 3.47Å; E526-L534 HydrophobicContact CG-CD2 4.39Å; E526-L534 PolarHBondContact N-O 2.82Å; E526-L534 VanDerWaalsContact N-O 3.17Å; K527-L534 HydrophobicContact CB-CB 4Å; K527-L534 HydrophobicContact CB-CD2 4.32Å; K527-L534 PolarHBondContact O-N 3Å; L534-L536 HydrophobicContact CD2-CD2 4.04Å; L534-L536 HydrophobicContact CG-CD2 4.15Å |
| 535 | F | 98.5 | Very high | 95 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.9 | 171.6 | -63.4 | -85.6 | 0 | 0 | 0 | 110.8 | V491 I493 L518 I523 V525 L533 F537 L549 | V491-F535 PolarHBondContact N-O 3.15Å; V491-F535 PolarHBondContact O-N 3.3Å; I493-F535 HydrophobicContact CD1-CD2 3.76Å; I493-F535 HydrophobicContact CD1-CE2 3.64Å; I493-F535 HydrophobicContact CG1-CD2 4.11Å; I493-F535 HydrophobicContact CG1-CE2 4.22Å; L518-F535 HydrophobicContact CD1-CE1 4.25Å; L518-F535 HydrophobicContact CD1-CZ 3.64Å; I523-F535 HydrophobicContact CG2-CE1 4.17Å; V525-F535 HydrophobicContact CB-CE1 4.49Å; V525-F535 HydrophobicContact CB-CZ 4.49Å; V525-F535 HydrophobicContact CG1-CZ 4.27Å; V525-F535 HydrophobicContact CG2-CE1 3.99Å; V525-F535 HydrophobicContact CG2-CZ 3.8Å; L533-F535 HydrophobicContact CB-CD2 4.43Å; L533-F535 HydrophobicContact CB-CE2 3.64Å; L533-F535 HydrophobicContact CB-CZ 4.27Å; L533-F535 HydrophobicContact CD1-CE2 4.43Å; F535-F537 HydrophobicContact CB-CE2 4.15Å; F535-L549 HydrophobicContact CB-CD2 4.26Å; F535-L549 HydrophobicContact CD1-CD1 4.19Å; F535-L549 HydrophobicContact CD1-CD2 3.65Å; F535-L549 HydrophobicContact CD2-CD2 4.08Å; F535-L549 HydrophobicContact CE1-CD1 3.62Å; F535-L549 HydrophobicContact CE1-CD2 3.97Å; F535-L549 HydrophobicContact CE1-CG 4.47Å; F535-L549 HydrophobicContact CE2-CD1 4.26Å; F535-L549 HydrophobicContact CE2-CD2 4.38Å; F535-L549 HydrophobicContact CG-CD2 3.71Å; F535-L549 HydrophobicContact CZ-CD1 3.66Å; F535-L549 HydrophobicContact CZ-CD2 4.32Å |
| 536 | L | 98.2 | Very high | 95 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 14% | 0.141 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 113.3 | -179.2 | -53.3 | -176.9 | 0 | 0 | 0 | 110.3 | W333 M368 K490 E526 L534 S538 I541 | W333-L536 HydrophobicContact CE3-CD1 4.17Å; W333-L536 HydrophobicContact CH2-CD1 4.44Å; W333-L536 HydrophobicContact CZ3-CD1 3.57Å; M368-L536 HydrophobicContact CE-CB 4.19Å; M368-L536 HydrophobicContact SD-CB 3.81Å; M368-L536 HydrophobicContact SD-CD1 3.81Å; M368-L536 HydrophobicContact SD-CG 4.3Å; K490-L536 HydrophobicContact CD-CD2 3.38Å; E526-L536 HydrophobicContact CB-CD1 4.39Å; E526-L536 HydrophobicContact CB-CG 4.09Å; E526-L536 HydrophobicContact CG-CD1 3.68Å; E526-L536 HydrophobicContact CG-CD2 4.24Å; E526-L536 HydrophobicContact CG-CG 3.81Å; L534-L536 HydrophobicContact CD2-CD2 4.04Å; L534-L536 HydrophobicContact CG-CD2 4.15Å; L536-S538 VanDerWaalsContact C-N 3.27Å; L536-S538 PolarHBondContact O-N 3.01Å; L536-S538 VanDerWaalsContact O-N 3.08Å; L536-I541 VanDerWaalsContact O-CG1 3.28Å; L536-I541 WeakPolarHBondContact O-CG1 3.4Å |
| 537 | F | 98.1 | Very high | 95 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | trans | -86.5 | 69.5 | 174.7 | -77.8 | -108 | 0 | 0 | 0 | 109.9 | S428 R431 A432 F435 V489 V491 F535 I541 A546 | S428-F537 PolarHBondContact OG-O 2.97Å; R431-F537 HydrophobicContact CB-CD1 4.43Å; A432-F537 HydrophobicContact CB-CB 3.73Å; A432-F537 HydrophobicContact CB-CD1 4.05Å; A432-F537 HydrophobicContact CB-CD2 4.39Å; A432-F537 HydrophobicContact CB-CG 3.79Å; F435-F537 HydrophobicContact CB-CE1 3.68Å; F435-F537 HydrophobicContact CB-CZ 3.62Å; F435-F537 HydrophobicContact CD1-CE1 4.44Å; F435-F537 HydrophobicContact CD1-CE2 4.03Å; F435-F537 AromaticContact CD1-CZ 3.53Å; F435-F537 HydrophobicContact CD1-CZ 3.53Å; F435-F537 HydrophobicContact CD2-CE1 4.3Å; F435-F537 AromaticContact CD2-CZ 3.79Å; F435-F537 HydrophobicContact CD2-CZ 3.79Å; F435-F537 HydrophobicContact CE1-CE2 4.42Å; F435-F537 HydrophobicContact CE1-CZ 4.1Å; F435-F537 HydrophobicContact CE2-CZ 4.33Å; F435-F537 AromaticContact CG-CE1 3.9Å; F435-F537 HydrophobicContact CG-CE1 3.9Å; F435-F537 HydrophobicContact CG-CE2 4.29Å; F435-F537 AromaticContact CG-CZ 3.35Å; F435-F537 HydrophobicContact CG-CZ 3.35Å; F435-F537 HydrophobicContact CZ-CZ 4.47Å; V489-F537 HydrophobicContact CB-CB 4.15Å; V489-F537 PolarHBondContact O-N 3.47Å; V491-F537 HydrophobicContact CB-CD2 3.99Å; V491-F537 HydrophobicContact CB-CE2 3.77Å; V491-F537 HydrophobicContact CG1-CE2 4.39Å; V491-F537 HydrophobicContact CG2-CD2 3.41Å; V491-F537 VanDerWaalsContact CG2-CD2 3.41Å; V491-F537 HydrophobicContact CG2-CE2 3.47Å; V491-F537 VanDerWaalsContact CG2-CE2 3.47Å; V491-F537 HydrophobicContact CG2-CG 4.31Å; V491-F537 HydrophobicContact CG2-CZ 4.39Å; F535-F537 HydrophobicContact CB-CE2 4.15Å; F537-I541 HydrophobicContact CD1-CG2 4.06Å; F537-I541 HydrophobicContact CE1-CG2 4.33Å; F537-A546 HydrophobicContact CE1-CB 4.07Å | ||
| 538 | S | 96.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | trans | -74.3 | 172 | 176.1 | 74.9 | 0 | 0 | 0 | 0 | 112.4 | S428 L536 G540 I541 | S428-S538 PolarHBondContact OG-O 3.39Å; S428-S538 VanDerWaalsContact OG-O 3.12Å; L536-S538 VanDerWaalsContact C-N 3.27Å; L536-S538 PolarHBondContact O-N 3.01Å; L536-S538 VanDerWaalsContact O-N 3.08Å; S538-G540 PolarHBondContact O-N 2.85Å; S538-G540 PolarHBondContact OG-N 3.32Å; S538-I541 PolarHBondContact O-N 2.97Å | ||
| 539 | I | 95.4 | Very high | 95.5 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 19% | 0.185 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.2 | 175.5 | 60.3 | 174.7 | 0 | 0 | 0 | 113.5 | A370 L424 I425 S428 | A370-I539 HydrophobicContact CB-CD1 4.11Å; L424-I539 HydrophobicContact CB-CG2 4.29Å; I425-I539 HydrophobicContact CD1-CG2 3.61Å; S428-I539 PolarHBondContact OG-N 3.28Å |
| 540 | G | 94.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S538 K545 | S538-G540 PolarHBondContact O-N 2.85Å; S538-G540 PolarHBondContact OG-N 3.32Å; G540-K545 PolarHBondContact O-NZ 3.02Å |
| 541 | I | 94.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | trans | -87.1 | 114.5 | 172.1 | -59.3 | -53.4 | 0 | 0 | 0 | 108.6 | R431 L536 F537 S538 K545 | R431-I541 PolarHBondContact NE-O 3.48Å; R431-I541 PolarHBondContact NH2-O 3.03Å; L536-I541 VanDerWaalsContact O-CG1 3.28Å; L536-I541 WeakPolarHBondContact O-CG1 3.4Å; F537-I541 HydrophobicContact CD1-CG2 4.06Å; F537-I541 HydrophobicContact CE1-CG2 4.33Å; S538-I541 PolarHBondContact O-N 2.97Å; I541-K545 HydrophobicContact CD1-CD 3.95Å; I541-K545 HydrophobicContact CG2-CB 4.27Å | ||
| 542 | D | 91.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 45.5 Ų | 45.5 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | trans | -99.4 | 179.1 | 175.3 | 66.9 | 3.6 | 0 | 0 | 0 | 111.5 | T544 K545 A546 | D542-T544 PolarHBondContact O-N 3.19Å; D542-T544 WeakPolarHBondContact OD1-CB 3.37Å; D542-T544 PolarHBondContact OD1-N 3.42Å; D542-K545 PolarHBondContact O-N 2.93Å; D542-K545 WeakPolarHBondContact OD1-CG 3.43Å; D542-K545 PolarHBondContact OD1-N 3.02Å; D542-A546 PolarHBondContact O-N 3.39Å; D542-A546 VanDerWaalsContact O-N 3.13Å | ||
| 543 | K | 91.3 | Very high | 96.4 | Very high | 146 Ų | 146 | 45.4 Ų | 45.4 | 64% | 0.635 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.9 | -35.5 | 177.4 | -174 | 176 | -179.4 | 177.1 | 0 | 111.9 | A546 M547 | K543-A546 PolarHBondContact O-N 3.03Å; K543-M547 HydrophobicContact CG-CG 4.34Å; K543-M547 WeakPolarHBondContact O-CB 3.48Å; K543-M547 VanDerWaalsContact O-CG 3.3Å; K543-M547 WeakPolarHBondContact O-CG 3.49Å; K543-M547 PolarHBondContact O-N 2.93Å |
| 544 | T | 93.7 | Very high | 96.4 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 65% | 0.65 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.5 | -49.3 | -179.8 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | D542 M547 G548 | D542-T544 PolarHBondContact O-N 3.19Å; D542-T544 WeakPolarHBondContact OD1-CB 3.37Å; D542-T544 PolarHBondContact OD1-N 3.42Å; T544-M547 PolarHBondContact O-N 2.87Å; T544-G548 PolarHBondContact O-N 3.28Å |
| 545 | K | 96.7 | Very high | 96.4 | Very high | 118 Ų | 118 | 49.3 Ų | 49.3 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 177.9 | -69.7 | 173.6 | -175.1 | 176.6 | 0 | 112.1 | G540 I541 D542 M547 G548 L549 | G540-K545 PolarHBondContact O-NZ 3.02Å; I541-K545 HydrophobicContact CD1-CD 3.95Å; I541-K545 HydrophobicContact CG2-CB 4.27Å; D542-K545 PolarHBondContact O-N 2.93Å; D542-K545 WeakPolarHBondContact OD1-CG 3.43Å; D542-K545 PolarHBondContact OD1-N 3.02Å; K545-M547 PolarHBondContact O-N 2.84Å; K545-G548 PolarHBondContact O-N 3.22Å; K545-G548 VanDerWaalsContact O-N 3.16Å; K545-L549 PolarHBondContact O-N 3.14Å |
| 546 | A | 96.7 | Very high | 96.4 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F435 F537 D542 K543 L549 L550 | F435-A546 HydrophobicContact CD2-CB 4.44Å; F537-A546 HydrophobicContact CE1-CB 4.07Å; D542-A546 PolarHBondContact O-N 3.39Å; D542-A546 VanDerWaalsContact O-N 3.13Å; K543-A546 PolarHBondContact O-N 3.03Å; A546-L549 PolarHBondContact O-N 3.23Å; A546-L550 PolarHBondContact O-N 3.46Å |
| 547 | M | 95.6 | Very high | 96.4 | Very high | 93 Ų | 93 | 48.2 Ų | 48.2 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 174.2 | -70.5 | -57.5 | -58.6 | 0 | 0 | 112.5 | K543 T544 K545 L550 R551 | K543-M547 HydrophobicContact CG-CG 4.34Å; K543-M547 WeakPolarHBondContact O-CB 3.48Å; K543-M547 VanDerWaalsContact O-CG 3.3Å; K543-M547 WeakPolarHBondContact O-CG 3.49Å; K543-M547 PolarHBondContact O-N 2.93Å; T544-M547 PolarHBondContact O-N 2.87Å; K545-M547 PolarHBondContact O-N 2.84Å; M547-L550 HydrophobicContact CE-CD2 4.39Å; M547-L550 PolarHBondContact O-N 3.48Å; M547-L550 HydrophobicContact SD-CD2 4.37Å; M547-R551 WeakPolarHBondContact O-CB 2.93Å; M547-R551 PolarHBondContact O-N 3.31Å |
| 548 | G | 97.2 | Very high | 96.4 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T544 K545 R551 G552 | T544-G548 PolarHBondContact O-N 3.28Å; K545-G548 PolarHBondContact O-N 3.22Å; K545-G548 VanDerWaalsContact O-N 3.16Å; G548-R551 PolarHBondContact O-N 3.48Å; G548-G552 PolarHBondContact O-N 3.11Å |
| 549 | L | 98.1 | Very high | 96.4 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 174 | 175 | 59.5 | 0 | 0 | 0 | 111.7 | F435 L518 I523 F535 K545 A546 R551 G552 L553 | F435-L549 HydrophobicContact CE1-CD2 4.26Å; F435-L549 HydrophobicContact CE2-CB 4.22Å; F435-L549 HydrophobicContact CE2-CD2 3.82Å; F435-L549 HydrophobicContact CE2-CG 3.9Å; F435-L549 HydrophobicContact CZ-CD2 3.49Å; F435-L549 VanDerWaalsContact CZ-CD2 3.49Å; F435-L549 HydrophobicContact CZ-CG 3.78Å; L518-L549 HydrophobicContact CD1-CD1 4.12Å; L518-L549 HydrophobicContact CD2-CD1 4.25Å; I523-L549 HydrophobicContact CG2-CD1 4.04Å; F535-L549 HydrophobicContact CB-CD2 4.26Å; F535-L549 HydrophobicContact CD1-CD1 4.19Å; F535-L549 HydrophobicContact CD1-CD2 3.65Å; F535-L549 HydrophobicContact CD2-CD2 4.08Å; F535-L549 HydrophobicContact CE1-CD1 3.62Å; F535-L549 HydrophobicContact CE1-CD2 3.97Å; F535-L549 HydrophobicContact CE1-CG 4.47Å; F535-L549 HydrophobicContact CE2-CD1 4.26Å; F535-L549 HydrophobicContact CE2-CD2 4.38Å; F535-L549 HydrophobicContact CG-CD2 3.71Å; F535-L549 HydrophobicContact CZ-CD1 3.66Å; F535-L549 HydrophobicContact CZ-CD2 4.32Å; K545-L549 PolarHBondContact O-N 3.14Å; A546-L549 PolarHBondContact O-N 3.23Å; L549-R551 VanDerWaalsContact C-N 3.27Å; L549-R551 PolarHBondContact O-N 2.74Å; L549-G552 WeakPolarHBondContact O-CA 3.36Å; L549-G552 PolarHBondContact O-N 2.88Å; L549-L553 HydrophobicContact CD1-CD1 4.45Å; L549-L553 HydrophobicContact CD1-CG 4.28Å; L549-L553 HydrophobicContact CG-CD1 4.39Å; L549-L553 WeakPolarHBondContact O-CG 3.31Å; L549-L553 PolarHBondContact O-N 2.86Å |
| 550 | L | 97.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | 178.4 | -164.9 | 66.6 | 0 | 0 | 0 | 111.3 | F435 E438 V439 L442 A546 M547 L553 T554 | F435-L550 HydrophobicContact CE2-CB 4.15Å; F435-L550 HydrophobicContact CE2-CD1 4.15Å; E438-L550 HydrophobicContact CB-CD1 4.38Å; E438-L550 HydrophobicContact CB-CD2 4.01Å; E438-L550 HydrophobicContact CG-CD2 4.47Å; V439-L550 HydrophobicContact CG2-CD1 3.87Å; L442-L550 HydrophobicContact CD1-CD1 3.59Å; L442-L550 HydrophobicContact CD1-CD2 4.15Å; L442-L550 HydrophobicContact CD1-CG 3.85Å; A546-L550 PolarHBondContact O-N 3.46Å; M547-L550 HydrophobicContact CE-CD2 4.39Å; M547-L550 PolarHBondContact O-N 3.48Å; M547-L550 HydrophobicContact SD-CD2 4.37Å; L550-L553 PolarHBondContact O-N 3.4Å; L550-T554 WeakPolarHBondContact O-CG2 3.36Å; L550-T554 PolarHBondContact O-N 3.05Å; L550-T554 VanDerWaalsContact O-N 3.12Å |
| 551 | R | 97.4 | Very high | 96.7 | Very high | 159 Ų | 159 | 53 Ų | 53 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 174.7 | -179 | 55.7 | 178.5 | 179.3 | -2.7 | 111.5 | M547 G548 L549 L553 T554 E555 | M547-R551 WeakPolarHBondContact O-CB 2.93Å; M547-R551 PolarHBondContact O-N 3.31Å; G548-R551 PolarHBondContact O-N 3.48Å; L549-R551 VanDerWaalsContact C-N 3.27Å; L549-R551 PolarHBondContact O-N 2.74Å; R551-L553 VanDerWaalsContact C-N 3.31Å; R551-L553 PolarHBondContact O-N 3.08Å; R551-T554 PolarHBondContact O-N 2.98Å; R551-T554 PolarHBondContact O-OG1 3.03Å; R551-E555 WeakPolarHBondContact O-CB 3.48Å; R551-E555 PolarHBondContact O-N 3.08Å |
| 552 | G | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.9 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F517 G548 L549 E555 F556 | F517-G552 WeakPolarHBondContact CE1-O 3.48Å; G548-G552 PolarHBondContact O-N 3.11Å; L549-G552 WeakPolarHBondContact O-CA 3.36Å; L549-G552 PolarHBondContact O-N 2.88Å; G552-E555 PolarHBondContact O-N 2.89Å; G552-F556 PolarHBondContact O-N 3.23Å |
| 553 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 176.4 | -62.9 | 170.5 | 0 | 0 | 0 | 112.1 | F435 F451 I493 V514 L549 L550 R551 E555 F556 K557 | F435-L553 HydrophobicContact CZ-CD1 4.05Å; F451-L553 HydrophobicContact CD1-CD2 4.47Å; F451-L553 HydrophobicContact CD2-CB 3.91Å; F451-L553 HydrophobicContact CD2-CD2 4.04Å; F451-L553 HydrophobicContact CD2-CG 4.41Å; F451-L553 HydrophobicContact CE1-CD2 4.26Å; F451-L553 HydrophobicContact CE2-CB 3.75Å; F451-L553 HydrophobicContact CE2-CD2 3.81Å; F451-L553 HydrophobicContact CE2-CG 4.35Å; F451-L553 WeakPolarHBondContact CE2-O 3.27Å; F451-L553 HydrophobicContact CG-CD2 4.36Å; F451-L553 HydrophobicContact CZ-CD2 3.91Å; I493-L553 HydrophobicContact CD1-CD1 3.6Å; I493-L553 HydrophobicContact CD1-CD2 4.27Å; V514-L553 HydrophobicContact CG1-CD2 4.41Å; L549-L553 HydrophobicContact CD1-CD1 4.45Å; L549-L553 HydrophobicContact CD1-CG 4.28Å; L549-L553 HydrophobicContact CG-CD1 4.39Å; L549-L553 WeakPolarHBondContact O-CG 3.31Å; L549-L553 PolarHBondContact O-N 2.86Å; L550-L553 PolarHBondContact O-N 3.4Å; R551-L553 VanDerWaalsContact C-N 3.31Å; R551-L553 PolarHBondContact O-N 3.08Å; L553-E555 VanDerWaalsContact C-N 3.3Å; L553-E555 PolarHBondContact O-N 3.1Å; L553-F556 WeakPolarHBondContact O-CB 3.41Å; L553-F556 PolarHBondContact O-N 2.89Å; L553-K557 PolarHBondContact O-N 3.04Å |
| 554 | T | 98 | Very high | 97.5 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 22% | 0.221 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -35.5 | 177.7 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | L442 F450 L550 R551 R558 | L442-T554 HydrophobicContact CD1-CG2 3.91Å; F450-T554 HydrophobicContact CE2-CG2 4.38Å; F450-T554 HydrophobicContact CZ-CG2 4.25Å; L550-T554 WeakPolarHBondContact O-CG2 3.36Å; L550-T554 PolarHBondContact O-N 3.05Å; L550-T554 VanDerWaalsContact O-N 3.12Å; R551-T554 PolarHBondContact O-N 2.98Å; R551-T554 PolarHBondContact O-OG1 3.03Å; T554-R558 WeakPolarHBondContact O-CB 3.47Å; T554-R558 PolarHBondContact O-N 3.49Å |
| 555 | E | 97.7 | Very high | 97.7 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 22% | 0.22 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.2 | -38.4 | 176.7 | -165 | -167.2 | 160.2 | 0 | 0 | 111.8 | F517 R521 R551 G552 L553 R558 S559 | F517-E555 HydrophobicContact CE1-CB 4.35Å; F517-E555 HydrophobicContact CZ-CB 4.19Å; F517-E555 HydrophobicContact CZ-CG 4.06Å; R521-E555 IonicContact CZ-OE1 2.86Å; R521-E555 IonicContact CZ-OE2 3.82Å; R521-E555 VanDerWaalsContact NE-CD 3.34Å; R521-E555 IonicContact NE-OE1 3.63Å; R521-E555 PolarHBondContact NE-OE1 3.04Å; R521-E555 IonicContact NE-OE2 3.45Å; R521-E555 PolarHBondContact NE-OE2 2.74Å; R521-E555 IonicContact NH2-OE1 2.78Å; R521-E555 PolarHBondContact NH2-OE1 3.16Å; R521-E555 IonicContact NH2-OE2 3.85Å; R551-E555 WeakPolarHBondContact O-CB 3.48Å; R551-E555 PolarHBondContact O-N 3.08Å; G552-E555 PolarHBondContact O-N 2.89Å; L553-E555 VanDerWaalsContact C-N 3.3Å; L553-E555 PolarHBondContact O-N 3.1Å; E555-R558 PolarHBondContact O-N 2.95Å; E555-S559 VanDerWaalsContact O-CB 3.31Å; E555-S559 WeakPolarHBondContact O-CB 3.32Å; E555-S559 PolarHBondContact O-N 3.03Å; E555-S559 PolarHBondContact O-OG 2.99Å |
| 556 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -53.2 | 173 | 178.3 | -86.3 | 0 | 0 | 0 | 109.8 | W449 F451 I509 V514 F517 G552 L553 R558 S559 Y560 M569 | W449-F556 AromaticContact CH2-CD1 3.79Å; W449-F556 HydrophobicContact CH2-CD1 3.79Å; W449-F556 AromaticContact CH2-CE1 3.73Å; W449-F556 HydrophobicContact CH2-CE1 3.73Å; W449-F556 HydrophobicContact CZ2-CD1 4.44Å; W449-F556 HydrophobicContact CZ2-CE1 4.27Å; F451-F556 HydrophobicContact CE2-CD1 4.37Å; F451-F556 HydrophobicContact CZ-CB 4.49Å; F451-F556 AromaticContact CZ-CD1 3.68Å; F451-F556 HydrophobicContact CZ-CD1 3.68Å; F451-F556 HydrophobicContact CZ-CE1 4.3Å; F451-F556 HydrophobicContact CZ-CG 4.28Å; I509-F556 HydrophobicContact CD1-CE1 4.48Å; I509-F556 HydrophobicContact CG2-CE1 3.84Å; I509-F556 HydrophobicContact CG2-CZ 3.76Å; V514-F556 HydrophobicContact CB-CE2 4.32Å; V514-F556 HydrophobicContact CG1-CD2 4.44Å; V514-F556 HydrophobicContact CG1-CG 4.48Å; V514-F556 HydrophobicContact CG2-CD1 4.3Å; V514-F556 HydrophobicContact CG2-CD2 4.38Å; V514-F556 HydrophobicContact CG2-CE1 3.84Å; V514-F556 HydrophobicContact CG2-CE2 3.91Å; V514-F556 HydrophobicContact CG2-CZ 3.62Å; F517-F556 HydrophobicContact CB-CD2 3.6Å; F517-F556 HydrophobicContact CB-CE2 4.06Å; F517-F556 HydrophobicContact CD1-CB 3.69Å; F517-F556 AromaticContact CD1-CD2 3.73Å; F517-F556 HydrophobicContact CD1-CD2 3.73Å; F517-F556 HydrophobicContact CD1-CG 4.21Å; F517-F556 AromaticContact CD2-CD2 3.99Å; F517-F556 HydrophobicContact CD2-CD2 3.99Å; F517-F556 HydrophobicContact CE1-CB 3.59Å; F517-F556 HydrophobicContact CE1-CD2 4.35Å; F517-F556 HydrophobicContact CE1-CG 4.49Å; F517-F556 HydrophobicContact CG-CB 4.32Å; F517-F556 AromaticContact CG-CD2 3.51Å; F517-F556 HydrophobicContact CG-CD2 3.51Å; F517-F556 HydrophobicContact CG-CE2 4.36Å; F517-F556 HydrophobicContact CG-CG 4.39Å; F517-F556 HydrophobicContact CZ-CB 4.12Å; G552-F556 PolarHBondContact O-N 3.23Å; L553-F556 WeakPolarHBondContact O-CB 3.41Å; L553-F556 PolarHBondContact O-N 2.89Å; F556-R558 PolarHBondContact O-N 2.98Å; F556-S559 PolarHBondContact O-N 3.33Å; F556-S559 VanDerWaalsContact O-N 3.14Å; F556-Y560 HydrophobicContact CE1-CD2 4.28Å; F556-Y560 HydrophobicContact CE1-CG 4.36Å; F556-Y560 HydrophobicContact CZ-CD2 4.23Å; F556-Y560 VanDerWaalsContact O-CB 3.31Å; F556-Y560 WeakPolarHBondContact O-CB 3.47Å; F556-Y560 PolarHBondContact O-N 3.27Å; F556-M569 HydrophobicContact CD2-CE 3.59Å; F556-M569 HydrophobicContact CE2-CE 3.6Å; F556-M569 HydrophobicContact CG-CE 4.31Å; F556-M569 HydrophobicContact CZ-CE 4.31Å |
| 557 | K | 98.3 | Very high | 97.8 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 8% | 0.078 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.3 | -52.6 | 178.2 | 170.4 | 171.1 | 169.9 | 59.6 | 0 | 111.5 | D447 W449 F450 L553 S559 Y560 D561 | D447-K557 WeakPolarHBondContact O-CE 3.39Å; D447-K557 PolarHBondContact O-NZ 2.76Å; W449-K557 HydrophobicContact CH2-CB 4.07Å; W449-K557 HydrophobicContact CH2-CG 4.45Å; W449-K557 HydrophobicContact CZ2-CB 4.02Å; W449-K557 HydrophobicContact CZ2-CG 4.02Å; W449-K557 WeakPolarHBondContact O-CD 3.34Å; W449-K557 WeakPolarHBondContact O-CE 3.24Å; W449-K557 PolarHBondContact O-NZ 3.23Å; F450-K557 HydrophobicContact CD2-CD 3.5Å; F450-K557 VanDerWaalsContact CD2-CD 3.5Å; F450-K557 HydrophobicContact CE2-CD 3.99Å; L553-K557 PolarHBondContact O-N 3.04Å; K557-S559 VanDerWaalsContact C-N 3.27Å; K557-S559 PolarHBondContact O-N 3.3Å; K557-Y560 WeakPolarHBondContact O-CB 3.31Å; K557-Y560 PolarHBondContact O-N 3.49Å; K557-D561 WeakPolarHBondContact CG-OD2 3.21Å; K557-D561 IonicContact NZ-OD2 3.2Å; K557-D561 PolarHBondContact NZ-OD2 3.37Å; K557-D561 WeakPolarHBondContact O-CB 3.41Å; K557-D561 VanDerWaalsContact O-CG 3.26Å; K557-D561 PolarHBondContact O-N 3.04Å |
| 558 | R | 97.7 | Very high | 97.8 | Very high | 120 Ų | 120 | 50.4 Ų | 50.4 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.3 | -42 | 179.2 | -174.4 | -168.1 | 64.4 | 76.9 | 4.2 | 112.2 | T554 E555 F556 L562 | T554-R558 WeakPolarHBondContact O-CB 3.47Å; T554-R558 PolarHBondContact O-N 3.49Å; E555-R558 PolarHBondContact O-N 2.95Å; F556-R558 PolarHBondContact O-N 2.98Å; R558-L562 HydrophobicContact CG-CD1 4.31Å; R558-L562 WeakPolarHBondContact O-CB 3.47Å; R558-L562 VanDerWaalsContact O-CG 3.28Å; R558-L562 WeakPolarHBondContact O-CG 3.27Å; R558-L562 PolarHBondContact O-N 2.79Å; R558-L562 VanDerWaalsContact O-N 3.11Å |
| 559 | S | 97.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.5 | -36.8 | -178.9 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | E555 F556 K557 N563 L564 | E555-S559 VanDerWaalsContact O-CB 3.31Å; E555-S559 WeakPolarHBondContact O-CB 3.32Å; E555-S559 PolarHBondContact O-N 3.03Å; E555-S559 PolarHBondContact O-OG 2.99Å; F556-S559 PolarHBondContact O-N 3.33Å; F556-S559 VanDerWaalsContact O-N 3.14Å; K557-S559 VanDerWaalsContact C-N 3.27Å; K557-S559 PolarHBondContact O-N 3.3Å; S559-N563 PolarHBondContact O-N 2.85Å; S559-L564 WeakPolarHBondContact O-CG 3.49Å; S559-L564 PolarHBondContact O-N 2.81Å |
| 560 | Y | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -46.3 | 173.6 | -175.4 | -90.7 | 0 | 0 | 0 | 111.5 | W449 I509 F556 K557 L562 N563 I586 Q587 A590 Q591 | W449-Y560 AromaticContact CE2-CD1 3.85Å; W449-Y560 AromaticContact CZ2-CD1 3.62Å; W449-Y560 HydrophobicContact CZ2-CD1 3.62Å; W449-Y560 HydrophobicContact CZ2-CE1 4.35Å; W449-Y560 AromaticContact CZ2-CG 3.95Å; W449-Y560 HydrophobicContact CZ2-CG 3.95Å; W449-Y560 AromaticContact NE1-CD1 3.65Å; W449-Y560 AromaticContact NE1-CE1 3.97Å; I509-Y560 HydrophobicContact CD1-CD1 3.97Å; I509-Y560 HydrophobicContact CD1-CD2 4.32Å; I509-Y560 HydrophobicContact CD1-CE1 3.69Å; I509-Y560 HydrophobicContact CD1-CE2 4.08Å; I509-Y560 HydrophobicContact CD1-CG 4.28Å; I509-Y560 HydrophobicContact CG1-CE1 4.16Å; I509-Y560 HydrophobicContact CG1-CE2 4.01Å; F556-Y560 HydrophobicContact CE1-CD2 4.28Å; F556-Y560 HydrophobicContact CE1-CG 4.36Å; F556-Y560 HydrophobicContact CZ-CD2 4.23Å; F556-Y560 VanDerWaalsContact O-CB 3.31Å; F556-Y560 WeakPolarHBondContact O-CB 3.47Å; F556-Y560 PolarHBondContact O-N 3.27Å; K557-Y560 WeakPolarHBondContact O-CB 3.31Å; K557-Y560 PolarHBondContact O-N 3.49Å; Y560-L562 VanDerWaalsContact C-N 3.32Å; Y560-L562 PolarHBondContact O-N 2.88Å; Y560-N563 WeakPolarHBondContact O-CA 3.37Å; Y560-N563 PolarHBondContact O-N 2.75Å; Y560-I586 HydrophobicContact CD2-CG1 3.81Å; Y560-I586 HydrophobicContact CD2-CG2 4.18Å; Y560-I586 HydrophobicContact CE2-CG1 4.36Å; Y560-Q587 HydrophobicContact CD1-CG 4.38Å; Y560-Q587 HydrophobicContact CD2-CG 4.45Å; Y560-Q587 HydrophobicContact CE1-CG 3.99Å; Y560-Q587 HydrophobicContact CE2-CG 4.05Å; Y560-Q587 PolarHBondContact O-NE2 2.87Å; Y560-A590 HydrophobicContact CE2-CB 3.63Å; Y560-Q591 PolarHBondContact OH-NE2 3.14Å |
| 561 | D | 98 | Very high | 97.7 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68 | -31.4 | -179.5 | -67 | -13.4 | 0 | 0 | 0 | 111.9 | W449 K557 N563 | W449-D561 PolarHBondContact NE1-OD1 2.93Å; K557-D561 WeakPolarHBondContact CG-OD2 3.21Å; K557-D561 IonicContact NZ-OD2 3.2Å; K557-D561 PolarHBondContact NZ-OD2 3.37Å; K557-D561 WeakPolarHBondContact O-CB 3.41Å; K557-D561 VanDerWaalsContact O-CG 3.26Å; K557-D561 PolarHBondContact O-N 3.04Å; D561-N563 PolarHBondContact O-N 3.19Å |
| 562 | L | 97.8 | Very high | 97.6 | Very high | 104 Ų | 104 | 47.7 Ų | 47.7 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -3.1 | 170.6 | -72 | 172.7 | 0 | 0 | 0 | 114 | R558 Y560 L564 | R558-L562 HydrophobicContact CG-CD1 4.31Å; R558-L562 WeakPolarHBondContact O-CB 3.47Å; R558-L562 VanDerWaalsContact O-CG 3.28Å; R558-L562 WeakPolarHBondContact O-CG 3.27Å; R558-L562 PolarHBondContact O-N 2.79Å; R558-L562 VanDerWaalsContact O-N 3.11Å; Y560-L562 VanDerWaalsContact C-N 3.32Å; Y560-L562 PolarHBondContact O-N 2.88Å; L562-L564 VanDerWaalsContact C-N 3.33Å; L562-L564 HydrophobicContact CB-CD2 3.92Å; L562-L564 HydrophobicContact CB-CG 4.23Å; L562-L564 PolarHBondContact O-N 2.88Å |
| 563 | N | 98.2 | Very high | 97.5 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 50.8 | -178.2 | -162.2 | 13.1 | 0 | 0 | 0 | 113.1 | S559 Y560 D561 R585 Q587 | S559-N563 PolarHBondContact O-N 2.85Å; Y560-N563 WeakPolarHBondContact O-CA 3.37Å; Y560-N563 PolarHBondContact O-N 2.75Å; D561-N563 PolarHBondContact O-N 3.19Å; N563-R585 WeakPolarHBondContact O-CD 3.49Å; N563-R585 PolarHBondContact O-NH1 3.13Å; N563-R585 WeakPolarHBondContact OD1-CB 3.34Å; N563-Q587 HydrophobicContact CB-CG 4.05Å; N563-Q587 VanDerWaalsContact CG-OE1 3.32Å; N563-Q587 PolarHBondContact ND2-OE1 3.36Å; N563-Q587 VanDerWaalsContact OD1-CB 3.28Å; N563-Q587 WeakPolarHBondContact OD1-CB 3.34Å; N563-Q587 WeakPolarHBondContact OD1-CG 3.49Å; N563-Q587 PolarHBondContact OD1-N 3.3Å |
| 564 | L | 97.9 | Very high | 97.4 | Very high | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | trans | -60.7 | 154.9 | -178.3 | -61 | -172.3 | 0 | 0 | 0 | 112.1 | S559 L562 M569 R585 I586 | S559-L564 WeakPolarHBondContact O-CG 3.49Å; S559-L564 PolarHBondContact O-N 2.81Å; L562-L564 VanDerWaalsContact C-N 3.33Å; L562-L564 HydrophobicContact CB-CD2 3.92Å; L562-L564 HydrophobicContact CB-CG 4.23Å; L562-L564 PolarHBondContact O-N 2.88Å; L564-M569 HydrophobicContact CB-CB 4.23Å; L564-M569 HydrophobicContact CB-SD 4.48Å; L564-R585 WeakPolarHBondContact O-CA 3.47Å; L564-I586 PolarHBondContact O-N 3Å | ||
| 565 | R | 98 | Very high | 97.4 | Very high | 115 Ų | 115 | 51.4 Ų | 51.4 | 43% | 0.434 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 144.3 | 173.1 | -67.5 | -174.3 | 179.3 | -166.1 | -0.2 | 110.2 | K567 N568 M569 R585 | R565-K567 VanDerWaalsContact C-N 3.26Å; R565-K567 PolarHBondContact O-N 3.33Å; R565-N568 PolarHBondContact O-N 3.4Å; R565-M569 PolarHBondContact O-N 3.25Å; R565-M569 VanDerWaalsContact O-N 3.12Å; R565-R585 HydrophobicContact CG-CG 4.38Å |
| 566 | I | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.3 | -46.4 | 177.5 | -62.5 | -55.6 | 0 | 0 | 0 | 110.9 | N568 M569 L570 L573 Y581 M584 I586 L589 | I566-N568 PolarHBondContact O-N 2.84Å; I566-M569 PolarHBondContact O-N 2.93Å; I566-L570 HydrophobicContact CG2-CB 4.33Å; I566-L570 CarbonylContact O-C 3.39Å; I566-L570 PolarHBondContact O-N 3.19Å; I566-L573 HydrophobicContact CG2-CD2 4.16Å; I566-L573 HydrophobicContact CG2-CG 4.39Å; I566-Y581 HydrophobicContact CB-CD1 4.37Å; I566-Y581 HydrophobicContact CG1-CD1 4.16Å; I566-Y581 HydrophobicContact CG2-CD1 3.98Å; I566-Y581 HydrophobicContact CG2-CG 4.03Å; I566-M584 HydrophobicContact CG1-CB 4.03Å; I566-M584 HydrophobicContact CG1-CG 4.14Å; I566-M584 PolarHBondContact N-O 3.44Å; I566-I586 HydrophobicContact CD1-CB 4.3Å; I566-I586 HydrophobicContact CD1-CD1 3.95Å; I566-L589 HydrophobicContact CD1-CB 4.1Å; I566-L589 HydrophobicContact CD1-CD2 3.52Å; I566-L589 HydrophobicContact CD1-CG 4.47Å; I566-L589 HydrophobicContact CG1-CD2 4.25Å |
| 567 | K | 97.2 | Very high | 97 | Very high | 113 Ų | 113 | 57.9 Ų | 57.9 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -46.2 | -35.7 | 174.3 | -175.7 | 174.7 | 179.6 | 172.8 | 0 | 115.3 | R565 Y574 | R565-K567 VanDerWaalsContact C-N 3.26Å; R565-K567 PolarHBondContact O-N 3.33Å; K567-Y574 HydrophobicContact CB-CD2 3.61Å; K567-Y574 HydrophobicContact CB-CE2 3.82Å; K567-Y574 HydrophobicContact CB-CG 4.02Å; K567-Y574 HydrophobicContact CD-CE1 4.37Å; K567-Y574 HydrophobicContact CD-CE2 4.11Å; K567-Y574 HydrophobicContact CG-CD1 4.26Å; K567-Y574 HydrophobicContact CG-CD2 4.1Å; K567-Y574 HydrophobicContact CG-CE1 4.28Å; K567-Y574 HydrophobicContact CG-CE2 4.07Å; K567-Y574 HydrophobicContact CG-CG 4.19Å |
| 568 | N | 96.5 | Very high | 96.9 | Very high | 114 Ų | 114 | 59.5 Ų | 59.5 | 61% | 0.61 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -95.8 | -25 | -175.9 | -63.1 | -8.8 | 0 | 0 | 0 | 112.6 | R565 I566 | R565-N568 PolarHBondContact O-N 3.4Å; I566-N568 PolarHBondContact O-N 2.84Å |
| 569 | M | 96.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -98.1 | -34.3 | -174.2 | -174.4 | 166.9 | 170.9 | 0 | 0 | 112.8 | F517 F556 L564 R565 I566 I586 | F517-M569 HydrophobicContact CD2-CE 3.53Å; F517-M569 HydrophobicContact CD2-CG 3.74Å; F517-M569 HydrophobicContact CE2-CE 3.71Å; F517-M569 HydrophobicContact CE2-CG 3.83Å; F517-M569 HydrophobicContact CG-CE 4.34Å; F556-M569 HydrophobicContact CD2-CE 3.59Å; F556-M569 HydrophobicContact CE2-CE 3.6Å; F556-M569 HydrophobicContact CG-CE 4.31Å; F556-M569 HydrophobicContact CZ-CE 4.31Å; L564-M569 HydrophobicContact CB-CB 4.23Å; L564-M569 HydrophobicContact CB-SD 4.48Å; R565-M569 PolarHBondContact O-N 3.25Å; R565-M569 VanDerWaalsContact O-N 3.12Å; I566-M569 PolarHBondContact O-N 2.93Å; M569-I586 HydrophobicContact CE-CD1 4.15Å; M569-I586 HydrophobicContact CE-CG1 3.83Å; M569-I586 HydrophobicContact SD-CB 3.7Å; M569-I586 HydrophobicContact SD-CD1 4Å; M569-I586 HydrophobicContact SD-CG1 3.56Å; M569-I586 VanDerWaalsContact SD-CG1 3.56Å; M569-I586 HydrophobicContact SD-CG2 3.82Å |
| 570 | L | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -139.1 | 69.8 | -176.6 | -59.5 | 174.5 | 0 | 0 | 0 | 109 | L513 K516 F517 E520 I566 D572 L573 Y574 I586 | L513-L570 HydrophobicContact CD2-CD1 4.23Å; K516-L570 HydrophobicContact CB-CD2 4.12Å; F517-L570 VanDerWaalsContact CA-CD2 3.46Å; F517-L570 HydrophobicContact CB-CD2 3.8Å; F517-L570 HydrophobicContact CD2-CD2 4.28Å; E520-L570 HydrophobicContact CG-CD2 4.39Å; I566-L570 HydrophobicContact CG2-CB 4.33Å; I566-L570 CarbonylContact O-C 3.39Å; I566-L570 PolarHBondContact O-N 3.19Å; L570-D572 VanDerWaalsContact C-N 3.31Å; L570-D572 PolarHBondContact O-N 3.28Å; L570-L573 HydrophobicContact CB-CB 3.83Å; L570-L573 HydrophobicContact CB-CD2 4.3Å; L570-L573 HydrophobicContact CD1-CD2 3.69Å; L570-L573 PolarHBondContact O-N 3.24Å; L570-Y574 PolarHBondContact O-N 3.03Å; L570-I586 HydrophobicContact CD1-CD1 4.02Å | ||
| 571 | P | 96.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 62.3 Ų | 62.3 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -33.7 | -177.8 | 25.2 | -35.8 | 0 | 0 | 0 | 114.3 | E520 Y574 A575 | E520-P571 VanDerWaalsContact CD-CD 3.46Å; E520-P571 WeakPolarHBondContact OE1-CD 3.36Å; E520-P571 WeakPolarHBondContact OE1-CG 3.5Å; E520-P571 VanDerWaalsContact OE1-N 3.15Å; E520-P571 WeakPolarHBondContact OE2-CD 3.4Å; E520-P571 VanDerWaalsContact OE2-CG 3.23Å; E520-P571 WeakPolarHBondContact OE2-CG 3.06Å; P571-Y574 WeakPolarHBondContact O-CB 3.05Å; P571-Y574 PolarHBondContact O-N 2.85Å; P571-A575 PolarHBondContact O-N 2.93Å |
| 572 | D | 95.6 | Very high | 96.5 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 177.6 | -69.2 | -17.2 | 0 | 0 | 0 | 110.6 | E520 L570 Y574 A575 E576 | E520-D572 VanDerWaalsContact OE1-CB 3.27Å; E520-D572 WeakPolarHBondContact OE1-CB 3.46Å; E520-D572 PolarHBondContact OE1-N 2.96Å; L570-D572 VanDerWaalsContact C-N 3.31Å; L570-D572 PolarHBondContact O-N 3.28Å; D572-Y574 VanDerWaalsContact C-N 3.29Å; D572-Y574 PolarHBondContact O-N 3.21Å; D572-A575 WeakPolarHBondContact O-CB 3.35Å; D572-A575 PolarHBondContact O-N 3.09Å; D572-E576 PolarHBondContact O-N 3.15Å |
| 573 | L | 95.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 172 | -179.5 | 64.5 | 0 | 0 | 0 | 111.9 | K516 I566 L570 A575 E576 Y581 L589 P687 F689 | K516-L573 HydrophobicContact CD-CD1 4.16Å; K516-L573 HydrophobicContact CD-CD2 4.29Å; I566-L573 HydrophobicContact CG2-CD2 4.16Å; I566-L573 HydrophobicContact CG2-CG 4.39Å; L570-L573 HydrophobicContact CB-CB 3.83Å; L570-L573 HydrophobicContact CB-CD2 4.3Å; L570-L573 HydrophobicContact CD1-CD2 3.69Å; L570-L573 PolarHBondContact O-N 3.24Å; L573-A575 PolarHBondContact O-N 3.42Å; L573-E576 WeakPolarHBondContact O-CB 3.4Å; L573-E576 PolarHBondContact O-N 3.42Å; L573-Y581 HydrophobicContact CD1-CE2 3.98Å; L573-Y581 HydrophobicContact CD2-CE1 4.47Å; L573-Y581 HydrophobicContact CG-CD2 4.48Å; L573-Y581 HydrophobicContact CG-CE2 3.96Å; L573-Y581 WeakPolarHBondContact O-CD2 3.49Å; L573-Y581 WeakPolarHBondContact O-CE2 3.49Å; L573-L589 HydrophobicContact CD2-CD2 3.86Å; L573-P687 VanDerWaalsContact CD1-O 3.31Å; L573-P687 WeakPolarHBondContact CD1-O 3.32Å; L573-F689 HydrophobicContact CD1-CD2 4.42Å; L573-F689 HydrophobicContact CD1-CE2 3.85Å; L573-F689 HydrophobicContact CD2-CE2 3.8Å; L573-F689 HydrophobicContact CD2-CZ 4.04Å; L573-F689 HydrophobicContact CG-CE2 4.49Å |
| 574 | Y | 96.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 66 Ų | 66 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.6 | -32.2 | 174.6 | 174.8 | -87.9 | 0 | 0 | 0 | 112 | K567 L570 P571 D572 E576 D577 P578 | K567-Y574 HydrophobicContact CB-CD2 3.61Å; K567-Y574 HydrophobicContact CB-CE2 3.82Å; K567-Y574 HydrophobicContact CB-CG 4.02Å; K567-Y574 HydrophobicContact CD-CE1 4.37Å; K567-Y574 HydrophobicContact CD-CE2 4.11Å; K567-Y574 HydrophobicContact CG-CD1 4.26Å; K567-Y574 HydrophobicContact CG-CD2 4.1Å; K567-Y574 HydrophobicContact CG-CE1 4.28Å; K567-Y574 HydrophobicContact CG-CE2 4.07Å; K567-Y574 HydrophobicContact CG-CG 4.19Å; L570-Y574 PolarHBondContact O-N 3.03Å; P571-Y574 WeakPolarHBondContact O-CB 3.05Å; P571-Y574 PolarHBondContact O-N 2.85Å; D572-Y574 VanDerWaalsContact C-N 3.29Å; D572-Y574 PolarHBondContact O-N 3.21Å; Y574-E576 VanDerWaalsContact C-N 3.32Å; Y574-D577 CarbonylContact O-C 3.36Å; Y574-P578 HydrophobicContact CD1-CB 4.49Å; Y574-P578 HydrophobicContact CE1-CB 3.82Å; Y574-P578 HydrophobicContact CE1-CG 4.32Å; Y574-P578 HydrophobicContact CE2-CB 4.49Å; Y574-P578 VanDerWaalsContact O-CA 3.28Å; Y574-P578 WeakPolarHBondContact O-CA 3.47Å; Y574-P578 WeakPolarHBondContact O-CD 3.35Å; Y574-P578 WeakPolarHBondContact O-CG 3.44Å; Y574-P578 VanDerWaalsContact O-N 3.11Å |
| 575 | A | 96.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 68 Ų | 68 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -71.2 | -25.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P571 D572 L573 | P571-A575 PolarHBondContact O-N 2.93Å; D572-A575 WeakPolarHBondContact O-CB 3.35Å; D572-A575 PolarHBondContact O-N 3.09Å; L573-A575 PolarHBondContact O-N 3.42Å |
| 576 | E | 93.9 | Very high | 96.4 | Very high | 129 Ų | 129 | 62.6 Ų | 62.6 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 174.9 | -66.8 | -62.2 | 151.1 | 0 | 0 | 112.2 | D572 L573 Y574 | D572-E576 PolarHBondContact O-N 3.15Å; L573-E576 WeakPolarHBondContact O-CB 3.4Å; L573-E576 PolarHBondContact O-N 3.42Å; Y574-E576 VanDerWaalsContact C-N 3.32Å |
| 577 | D | 94.7 | Very high | 96.4 | Very high | 54 Ų | 54 | 65.4 Ų | 65.4 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | trans | -147.4 | 88 | 173.2 | -168.7 | -25.5 | 0 | 0 | 0 | 111.4 | Y574 D579 F580 Y581 P687 | Y574-D577 CarbonylContact O-C 3.36Å; D577-D579 PolarHBondContact O-N 2.64Å; D577-D579 PolarHBondContact OD1-N 3.33Å; D577-D579 VanDerWaalsContact OD1-N 3.15Å; D577-F580 HydrophobicContact CB-CB 3.85Å; D577-F580 PolarHBondContact O-N 3.16Å; D577-F580 WeakPolarHBondContact OD1-CB 3.48Å; D577-F580 PolarHBondContact OD1-N 3.41Å; D577-F580 WeakPolarHBondContact OD2-CB 3.05Å; D577-Y581 HydrophobicContact CB-CD2 4.48Å; D577-Y581 VanDerWaalsContact O-CD2 3.32Å; D577-Y581 WeakPolarHBondContact O-CD2 3.37Å; D577-Y581 PolarHBondContact O-N 3.45Å; D577-Y581 VanDerWaalsContact O-N 3.07Å; D577-P687 HydrophobicContact CB-CB 3.94Å; D577-P687 HydrophobicContact CB-CG 3.99Å | ||
| 578 | P | 96.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.6 | -178.3 | -26.7 | 35.5 | 0 | 0 | 0 | 114.1 | Y574 R582 | Y574-P578 HydrophobicContact CD1-CB 4.49Å; Y574-P578 HydrophobicContact CE1-CB 3.82Å; Y574-P578 HydrophobicContact CE1-CG 4.32Å; Y574-P578 HydrophobicContact CE2-CB 4.49Å; Y574-P578 VanDerWaalsContact O-CA 3.28Å; Y574-P578 WeakPolarHBondContact O-CA 3.47Å; Y574-P578 WeakPolarHBondContact O-CD 3.35Å; Y574-P578 WeakPolarHBondContact O-CG 3.44Å; Y574-P578 VanDerWaalsContact O-N 3.11Å; P578-R582 WeakPolarHBondContact O-CA 3.28Å; P578-R582 WeakPolarHBondContact O-CB 3.37Å; P578-R582 PolarHBondContact O-N 3.43Å; P578-R582 VanDerWaalsContact O-N 3.16Å |
| 579 | D | 95.9 | Very high | 96.4 | Very high | 114 Ų | 114 | 59.1 Ų | 59.1 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -43.1 | -177.7 | -77.8 | -5.9 | 0 | 0 | 0 | 110.6 | D577 R582 | D577-D579 PolarHBondContact O-N 2.64Å; D577-D579 PolarHBondContact OD1-N 3.33Å; D577-D579 VanDerWaalsContact OD1-N 3.15Å; D579-R582 IonicContact OD1-CZ 3.59Å; D579-R582 IonicContact OD1-NE 3.93Å; D579-R582 IonicContact OD1-NH2 2.62Å; D579-R582 PolarHBondContact OD1-NH2 2.92Å; D579-R582 IonicContact OD2-NH2 3.91Å |
| 580 | F | 95.2 | Very high | 96.5 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -44.7 | 174.5 | -173.4 | -90.4 | 0 | 0 | 0 | 112.1 | D577 M584 H685 Y686 P687 | D577-F580 HydrophobicContact CB-CB 3.85Å; D577-F580 PolarHBondContact O-N 3.16Å; D577-F580 WeakPolarHBondContact OD1-CB 3.48Å; D577-F580 PolarHBondContact OD1-N 3.41Å; D577-F580 WeakPolarHBondContact OD2-CB 3.05Å; F580-M584 HydrophobicContact CD1-CE 3.97Å; F580-M584 HydrophobicContact CE1-CE 3.5Å; F580-M584 VanDerWaalsContact CE1-CE 3.5Å; F580-M584 HydrophobicContact CE1-SD 4.44Å; F580-M584 HydrophobicContact CZ-CE 4.08Å; F580-H685 WeakPolarHBondContact CZ-O 3.42Å; F580-Y686 AromaticContact CE1-CD1 3.88Å; F580-Y686 HydrophobicContact CE1-CD1 3.88Å; F580-Y686 HydrophobicContact CE1-CE1 4.43Å; F580-Y686 AromaticContact CZ-CD1 3.94Å; F580-Y686 HydrophobicContact CZ-CD1 3.94Å; F580-Y686 HydrophobicContact CZ-CE1 4.28Å; F580-P687 HydrophobicContact CD1-CG 4.29Å; F580-P687 HydrophobicContact CG-CG 4.24Å |
| 581 | Y | 96.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -88.4 | -1.6 | -176 | -68.4 | -61.7 | 0 | 0 | 0 | 115.1 | I566 L573 D577 N583 M584 L589 P687 | I566-Y581 HydrophobicContact CB-CD1 4.37Å; I566-Y581 HydrophobicContact CG1-CD1 4.16Å; I566-Y581 HydrophobicContact CG2-CD1 3.98Å; I566-Y581 HydrophobicContact CG2-CG 4.03Å; L573-Y581 HydrophobicContact CD1-CE2 3.98Å; L573-Y581 HydrophobicContact CD2-CE1 4.47Å; L573-Y581 HydrophobicContact CG-CD2 4.48Å; L573-Y581 HydrophobicContact CG-CE2 3.96Å; L573-Y581 WeakPolarHBondContact O-CD2 3.49Å; L573-Y581 WeakPolarHBondContact O-CE2 3.49Å; D577-Y581 HydrophobicContact CB-CD2 4.48Å; D577-Y581 VanDerWaalsContact O-CD2 3.32Å; D577-Y581 WeakPolarHBondContact O-CD2 3.37Å; D577-Y581 PolarHBondContact O-N 3.45Å; D577-Y581 VanDerWaalsContact O-N 3.07Å; Y581-N583 VanDerWaalsContact C-N 3.3Å; Y581-N583 PolarHBondContact O-N 3.39Å; Y581-M584 HydrophobicContact CD1-CB 4.35Å; Y581-M584 HydrophobicContact CD1-CE 4.25Å; Y581-M584 HydrophobicContact CD1-SD 3.72Å; Y581-M584 HydrophobicContact CE1-CE 4.37Å; Y581-M584 HydrophobicContact CE1-SD 3.79Å; Y581-M584 PolarHBondContact O-N 3.12Å; Y581-L589 HydrophobicContact CE1-CD1 4.22Å; Y581-L589 HydrophobicContact CE1-CD2 4.18Å; Y581-P687 HydrophobicContact CE2-CB 4.23Å; Y581-P687 WeakPolarHBondContact CE2-O 3.43Å; Y581-P687 PolarHBondContact OH-O 3.14Å |
| 582 | R | 95.9 | Very high | 96.4 | Very high | 133 Ų | 133 | 58 Ų | 58 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -47.4 | -170.8 | -169.6 | 179.1 | -68 | 170 | -4 | 115.3 | P578 D579 | P578-R582 WeakPolarHBondContact O-CA 3.28Å; P578-R582 WeakPolarHBondContact O-CB 3.37Å; P578-R582 PolarHBondContact O-N 3.43Å; P578-R582 VanDerWaalsContact O-N 3.16Å; D579-R582 IonicContact OD1-CZ 3.59Å; D579-R582 IonicContact OD1-NE 3.93Å; D579-R582 IonicContact OD1-NH2 2.62Å; D579-R582 PolarHBondContact OD1-NH2 2.92Å; D579-R582 IonicContact OD2-NH2 3.91Å |
| 583 | N | 95.9 | Very high | 96.3 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 63% | 0.631 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -0.5 | -175.7 | -65.3 | -44.6 | 0 | 0 | 0 | 113.2 | Y581 | Y581-N583 VanDerWaalsContact C-N 3.3Å; Y581-N583 PolarHBondContact O-N 3.39Å |
| 584 | M | 97.3 | Very high | 96.2 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | trans | -70.9 | 141.1 | -175.9 | -165.9 | 174.8 | -64.4 | 0 | 0 | 110.6 | I566 F580 Y581 D588 L589 | I566-M584 HydrophobicContact CG1-CB 4.03Å; I566-M584 HydrophobicContact CG1-CG 4.14Å; I566-M584 PolarHBondContact N-O 3.44Å; F580-M584 HydrophobicContact CD1-CE 3.97Å; F580-M584 HydrophobicContact CE1-CE 3.5Å; F580-M584 VanDerWaalsContact CE1-CE 3.5Å; F580-M584 HydrophobicContact CE1-SD 4.44Å; F580-M584 HydrophobicContact CZ-CE 4.08Å; Y581-M584 HydrophobicContact CD1-CB 4.35Å; Y581-M584 HydrophobicContact CD1-CE 4.25Å; Y581-M584 HydrophobicContact CD1-SD 3.72Å; Y581-M584 HydrophobicContact CE1-CE 4.37Å; Y581-M584 HydrophobicContact CE1-SD 3.79Å; Y581-M584 PolarHBondContact O-N 3.12Å; M584-D588 HydrophobicContact CG-CB 4.41Å; M584-L589 HydrophobicContact CG-CB 4.33Å; M584-L589 HydrophobicContact SD-CB 3.82Å; M584-L589 HydrophobicContact SD-CD1 3.82Å; M584-L589 HydrophobicContact SD-CG 4.26Å | ||
| 585 | R | 98.4 | Very high | 96.1 | Very high | 95 Ų | 95 | 57.9 Ų | 57.9 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -109.7 | 161.1 | 172.3 | -58.6 | 179.2 | 168.9 | -91.6 | 5.2 | 110.8 | N563 L564 R565 Q587 D588 L589 | N563-R585 WeakPolarHBondContact O-CD 3.49Å; N563-R585 PolarHBondContact O-NH1 3.13Å; N563-R585 WeakPolarHBondContact OD1-CB 3.34Å; L564-R585 WeakPolarHBondContact O-CA 3.47Å; R565-R585 HydrophobicContact CG-CG 4.38Å; R585-Q587 VanDerWaalsContact C-N 3.34Å; R585-Q587 PolarHBondContact O-N 3.36Å; R585-D588 PolarHBondContact O-N 3.25Å; R585-L589 PolarHBondContact O-N 3.45Å; R585-L589 VanDerWaalsContact O-N 3.1Å |
| 586 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -38.1 | -173.1 | -171.6 | 67.2 | 0 | 0 | 0 | 113.4 | L513 Y560 L564 I566 M569 L570 L589 A590 | L513-I586 HydrophobicContact CD2-CD1 4.12Å; Y560-I586 HydrophobicContact CD2-CG1 3.81Å; Y560-I586 HydrophobicContact CD2-CG2 4.18Å; Y560-I586 HydrophobicContact CE2-CG1 4.36Å; L564-I586 PolarHBondContact O-N 3Å; I566-I586 HydrophobicContact CD1-CB 4.3Å; I566-I586 HydrophobicContact CD1-CD1 3.95Å; M569-I586 HydrophobicContact CE-CD1 4.15Å; M569-I586 HydrophobicContact CE-CG1 3.83Å; M569-I586 HydrophobicContact SD-CB 3.7Å; M569-I586 HydrophobicContact SD-CD1 4Å; M569-I586 HydrophobicContact SD-CG1 3.56Å; M569-I586 VanDerWaalsContact SD-CG1 3.56Å; M569-I586 HydrophobicContact SD-CG2 3.82Å; L570-I586 HydrophobicContact CD1-CD1 4.02Å; I586-L589 PolarHBondContact O-N 2.78Å; I586-A590 WeakPolarHBondContact O-CB 3.3Å; I586-A590 PolarHBondContact O-N 3.39Å |
| 587 | Q | 98.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69 | -39.1 | 178.3 | -65.1 | 178.2 | -14.5 | 0 | 0 | 111.2 | Y560 N563 R585 L589 A590 Q591 | Y560-Q587 HydrophobicContact CD1-CG 4.38Å; Y560-Q587 HydrophobicContact CD2-CG 4.45Å; Y560-Q587 HydrophobicContact CE1-CG 3.99Å; Y560-Q587 HydrophobicContact CE2-CG 4.05Å; Y560-Q587 PolarHBondContact O-NE2 2.87Å; N563-Q587 HydrophobicContact CB-CG 4.05Å; N563-Q587 VanDerWaalsContact CG-OE1 3.32Å; N563-Q587 PolarHBondContact ND2-OE1 3.36Å; N563-Q587 VanDerWaalsContact OD1-CB 3.28Å; N563-Q587 WeakPolarHBondContact OD1-CB 3.34Å; N563-Q587 WeakPolarHBondContact OD1-CG 3.49Å; N563-Q587 PolarHBondContact OD1-N 3.3Å; R585-Q587 VanDerWaalsContact C-N 3.34Å; R585-Q587 PolarHBondContact O-N 3.36Å; Q587-L589 VanDerWaalsContact C-N 3.31Å; Q587-L589 PolarHBondContact O-N 2.91Å; Q587-A590 PolarHBondContact O-N 2.75Å; Q587-Q591 WeakPolarHBondContact O-CB 3.44Å; Q587-Q591 VanDerWaalsContact O-CG 3.32Å; Q587-Q591 WeakPolarHBondContact O-CG 3.46Å; Q587-Q591 PolarHBondContact O-N 3.24Å |
| 588 | D | 97.5 | Very high | 95.4 | Very high | 94 Ų | 94 | 52.3 Ų | 52.3 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -43 | 176.6 | -59 | -43.4 | 0 | 0 | 0 | 111 | M584 R585 G592 | M584-D588 HydrophobicContact CG-CB 4.41Å; R585-D588 PolarHBondContact O-N 3.25Å; D588-G592 PolarHBondContact O-N 3.14Å |
| 589 | L | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -48.9 | 176.7 | -179.2 | 56.5 | 0 | 0 | 0 | 111.7 | L513 I566 L573 Y581 M584 R585 I586 Q587 Q591 G592 I593 Y686 F689 | L513-L589 HydrophobicContact CD2-CD2 3.5Å; L513-L589 HydrophobicContact CD2-CG 3.87Å; I566-L589 HydrophobicContact CD1-CB 4.1Å; I566-L589 HydrophobicContact CD1-CD2 3.52Å; I566-L589 HydrophobicContact CD1-CG 4.47Å; I566-L589 HydrophobicContact CG1-CD2 4.25Å; L573-L589 HydrophobicContact CD2-CD2 3.86Å; Y581-L589 HydrophobicContact CE1-CD1 4.22Å; Y581-L589 HydrophobicContact CE1-CD2 4.18Å; M584-L589 HydrophobicContact CG-CB 4.33Å; M584-L589 HydrophobicContact SD-CB 3.82Å; M584-L589 HydrophobicContact SD-CD1 3.82Å; M584-L589 HydrophobicContact SD-CG 4.26Å; R585-L589 PolarHBondContact O-N 3.45Å; R585-L589 VanDerWaalsContact O-N 3.1Å; I586-L589 PolarHBondContact O-N 2.78Å; Q587-L589 VanDerWaalsContact C-N 3.31Å; Q587-L589 PolarHBondContact O-N 2.91Å; L589-Q591 PolarHBondContact O-N 3.44Å; L589-G592 PolarHBondContact O-N 3.15Å; L589-I593 HydrophobicContact CD1-CD1 3.78Å; L589-I593 HydrophobicContact CD1-CG1 4.14Å; L589-I593 HydrophobicContact CG-CD1 4.06Å; L589-I593 WeakPolarHBondContact O-CG1 3.32Å; L589-I593 PolarHBondContact O-N 3.31Å; L589-Y686 HydrophobicContact CD1-CD1 3.38Å; L589-Y686 HydrophobicContact CD1-CE1 3.65Å; L589-Y686 HydrophobicContact CD1-CG 4.12Å; L589-F689 HydrophobicContact CD1-CE2 4.5Å; L589-F689 HydrophobicContact CD2-CE2 4.29Å; L589-F689 HydrophobicContact CD2-CZ 4.42Å |
| 590 | A | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L513 Y560 I586 Q587 G592 I593 H594 | L513-A590 VanDerWaalsContact CD1-CA 3.48Å; L513-A590 HydrophobicContact CD1-CB 3.59Å; Y560-A590 HydrophobicContact CE2-CB 3.63Å; I586-A590 WeakPolarHBondContact O-CB 3.3Å; I586-A590 PolarHBondContact O-N 3.39Å; Q587-A590 PolarHBondContact O-N 2.75Å; A590-G592 VanDerWaalsContact C-N 3.32Å; A590-G592 PolarHBondContact O-N 2.7Å; A590-I593 PolarHBondContact O-N 2.79Å; A590-H594 WeakPolarHBondContact O-CB 3.18Å; A590-H594 PolarHBondContact O-N 2.82Å |
| 591 | Q | 97.5 | Very high | 94.2 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 12% | 0.121 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.6 | -31.7 | 178.8 | -62.1 | -40.1 | -49.4 | 0 | 0 | 112.3 | E507 G508 Y560 Q587 L589 K595 | E507-Q591 VanDerWaalsContact CA-OE1 3.28Å; G508-Q591 PolarHBondContact O-NE2 2.77Å; Y560-Q591 PolarHBondContact OH-NE2 3.14Å; Q587-Q591 WeakPolarHBondContact O-CB 3.44Å; Q587-Q591 VanDerWaalsContact O-CG 3.32Å; Q587-Q591 WeakPolarHBondContact O-CG 3.46Å; Q587-Q591 PolarHBondContact O-N 3.24Å; L589-Q591 PolarHBondContact O-N 3.44Å; Q591-K595 VanDerWaalsContact O-CB 3.3Å; Q591-K595 WeakPolarHBondContact O-CB 3.47Å; Q591-K595 WeakPolarHBondContact O-CD 3.17Å; Q591-K595 WeakPolarHBondContact O-CG 3.42Å; Q591-K595 PolarHBondContact O-N 3.44Å |
| 592 | G | 94.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -53.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | D588 L589 A590 K595 L596 Y686 | D588-G592 PolarHBondContact O-N 3.14Å; L589-G592 PolarHBondContact O-N 3.15Å; A590-G592 VanDerWaalsContact C-N 3.32Å; A590-G592 PolarHBondContact O-N 2.7Å; G592-K595 PolarHBondContact O-N 2.94Å; G592-L596 PolarHBondContact O-N 3.41Å; G592-Y686 WeakPolarHBondContact CA-OH 3.41Å |
| 593 | I | 92.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 177.3 | -62.6 | 168.8 | 0 | 0 | 0 | 110.5 | P510 L513 L589 A590 K595 L596 I597 Y686 F689 | P510-I593 HydrophobicContact CB-CG2 3.9Å; P510-I593 HydrophobicContact CG-CB 3.86Å; P510-I593 HydrophobicContact CG-CG2 3.54Å; L513-I593 HydrophobicContact CD1-CD1 4.39Å; L513-I593 HydrophobicContact CD2-CD1 4.43Å; L513-I593 HydrophobicContact CG-CD1 4.38Å; L589-I593 HydrophobicContact CD1-CD1 3.78Å; L589-I593 HydrophobicContact CD1-CG1 4.14Å; L589-I593 HydrophobicContact CG-CD1 4.06Å; L589-I593 WeakPolarHBondContact O-CG1 3.32Å; L589-I593 PolarHBondContact O-N 3.31Å; A590-I593 PolarHBondContact O-N 2.79Å; I593-K595 VanDerWaalsContact C-N 3.33Å; I593-K595 PolarHBondContact O-N 2.95Å; I593-L596 WeakPolarHBondContact O-CB 3.47Å; I593-L596 PolarHBondContact O-N 2.99Å; I593-L596 VanDerWaalsContact O-N 3.1Å; I593-I597 HydrophobicContact CG2-CD1 4.05Å; I593-I597 HydrophobicContact CG2-CG1 4.47Å; I593-I597 WeakPolarHBondContact O-CG1 3.29Å; I593-I597 PolarHBondContact O-N 3.39Å; I593-Y686 HydrophobicContact CB-CE2 4.5Å; I593-Y686 HydrophobicContact CG1-CD2 3.59Å; I593-Y686 HydrophobicContact CG1-CE2 3.71Å; I593-Y686 HydrophobicContact CG1-CG 4.02Å; I593-F689 HydrophobicContact CD1-CD1 4.1Å; I593-F689 HydrophobicContact CD1-CD2 4.26Å; I593-F689 HydrophobicContact CD1-CE1 3.91Å; I593-F689 HydrophobicContact CD1-CE2 4.07Å; I593-F689 HydrophobicContact CD1-CG 4.28Å; I593-F689 HydrophobicContact CD1-CZ 3.9Å |
| 594 | H | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 177.9 | 179 | 70.7 | 0 | 0 | 0 | 112.4 | G497 S505 E506 G508 P510 Y531 A590 L596 I597 R598 | G497-H594 PolarHBondContact O-CE1 3.32Å; S505-H594 PolarHBondContact O-NE2 2.88Å; S505-H594 VanDerWaalsContact O-NE2 3.1Å; E506-H594 PolarHBondContact O-CD2 3.38Å; E506-H594 PolarHBondContact O-NE2 3.5Å; G508-H594 PolarHBondContact N-CD2 3.33Å; P510-H594 HydrophobicContact CG-CB 4.39Å; Y531-H594 AromaticContact CE1-ND1 3.93Å; Y531-H594 AromaticContact CZ-ND1 3.63Å; Y531-H594 PolarHBondContact OH-ND1 3.05Å; A590-H594 WeakPolarHBondContact O-CB 3.18Å; A590-H594 PolarHBondContact O-N 2.82Å; H594-L596 VanDerWaalsContact C-N 3.33Å; H594-L596 PolarHBondContact O-N 2.98Å; H594-I597 PolarHBondContact O-N 3.39Å; H594-R598 WeakPolarHBondContact NE2-CD 3.49Å; H594-R598 WeakPolarHBondContact O-CG 3.5Å; H594-R598 PolarHBondContact O-N 2.96Å |
| 595 | K | 93.9 | Very high | 92.3 | Very high | 134 Ų | 134 | 42 Ų | 42 | 58% | 0.583 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -62.6 | -36.9 | 175 | -77 | 168.9 | -173.7 | 174 | 0 | 112.5 | Q591 G592 I593 K599 | Q591-K595 VanDerWaalsContact O-CB 3.3Å; Q591-K595 WeakPolarHBondContact O-CB 3.47Å; Q591-K595 WeakPolarHBondContact O-CD 3.17Å; Q591-K595 WeakPolarHBondContact O-CG 3.42Å; Q591-K595 PolarHBondContact O-N 3.44Å; G592-K595 PolarHBondContact O-N 2.94Å; I593-K595 VanDerWaalsContact C-N 3.33Å; I593-K595 PolarHBondContact O-N 2.95Å; K595-K599 WeakPolarHBondContact O-CB 3.48Å; K595-K599 PolarHBondContact O-N 2.94Å |
| 596 | L | 90.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 37.6 Ų | 37.6 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -47.6 | 173.2 | -70.8 | -178.3 | 0 | 0 | 0 | 111.3 | G592 I593 H594 R598 K599 H600 H685 Y686 | G592-L596 PolarHBondContact O-N 3.41Å; I593-L596 WeakPolarHBondContact O-CB 3.47Å; I593-L596 PolarHBondContact O-N 2.99Å; I593-L596 VanDerWaalsContact O-N 3.1Å; H594-L596 VanDerWaalsContact C-N 3.33Å; H594-L596 PolarHBondContact O-N 2.98Å; L596-R598 VanDerWaalsContact C-N 3.26Å; L596-R598 PolarHBondContact O-N 3.31Å; L596-K599 PolarHBondContact O-N 3.39Å; L596-H600 PolarHBondContact O-CD2 3.01Å; L596-H600 VanDerWaalsContact O-CD2 3.23Å; L596-H600 PolarHBondContact O-N 3.46Å; L596-H685 HydrophobicContact CD1-CB 3.58Å; L596-Y686 HydrophobicContact CD1-CD2 3.98Å; L596-Y686 HydrophobicContact CD1-CE2 3.53Å; L596-Y686 HydrophobicContact CG-CE2 4.39Å |
| 597 | I | 89.4 | Confident | 91.3 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.8 | -44.6 | 176.9 | -66.6 | 172.3 | 0 | 0 | 0 | 110.6 | M504 P510 Y531 I593 H594 D601 L602 | M504-I597 HydrophobicContact CE-CG2 3.74Å; P510-I597 HydrophobicContact CB-CD1 4.31Å; P510-I597 HydrophobicContact CG-CD1 4.11Å; Y531-I597 HydrophobicContact CE2-CD1 4.43Å; Y531-I597 HydrophobicContact CE2-CG2 4.03Å; Y531-I597 WeakPolarHBondContact OH-CD1 3.45Å; I593-I597 HydrophobicContact CG2-CD1 4.05Å; I593-I597 HydrophobicContact CG2-CG1 4.47Å; I593-I597 WeakPolarHBondContact O-CG1 3.29Å; I593-I597 PolarHBondContact O-N 3.39Å; H594-I597 PolarHBondContact O-N 3.39Å; I597-D601 PolarHBondContact O-N 2.75Å; I597-L602 HydrophobicContact CG1-CD1 4.41Å; I597-L602 HydrophobicContact CG2-CB 4.05Å; I597-L602 PolarHBondContact O-N 2.84Å |
| 598 | R | 91.5 | Very high | 90.9 | Very high | 109 Ų | 109 | 42.9 Ų | 42.9 | 41% | 0.411 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.6 | -48.2 | 176.1 | -73.2 | -176.7 | 64.5 | -162.2 | 4.5 | 113 | M504 S505 E506 H594 L596 H600 D601 | M504-R598 HydrophobicContact CB-CG 3.98Å; M504-R598 HydrophobicContact CE-CG 3.41Å; M504-R598 VanDerWaalsContact CE-CG 3.41Å; M504-R598 HydrophobicContact CG-CG 4.21Å; S505-R598 WeakPolarHBondContact O-CD 3.38Å; S505-R598 PolarHBondContact O-NE 2.83Å; E506-R598 PolarHBondContact O-NH1 2.64Å; H594-R598 WeakPolarHBondContact NE2-CD 3.49Å; H594-R598 WeakPolarHBondContact O-CG 3.5Å; H594-R598 PolarHBondContact O-N 2.96Å; L596-R598 VanDerWaalsContact C-N 3.26Å; L596-R598 PolarHBondContact O-N 3.31Å; R598-H600 PolarHBondContact O-N 3.05Å; R598-D601 PolarHBondContact O-N 3.2Å; R598-D601 VanDerWaalsContact O-N 3.15Å |
| 599 | K | 89.2 | Confident | 90.5 | Very high | 154 Ų | 154 | 38.4 Ų | 38.4 | 67% | 0.67 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -56.1 | -36.6 | -179.5 | 176.8 | -174.8 | 173.3 | -167.6 | 0 | 111.6 | K595 L596 | K595-K599 WeakPolarHBondContact O-CB 3.48Å; K595-K599 PolarHBondContact O-N 2.94Å; L596-K599 PolarHBondContact O-N 3.39Å |
| 600 | H | 84.9 | Confident | 90 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 21% | 0.213 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -2 | -176.9 | -72.7 | -77 | 0 | 0 | 0 | 114.4 | L596 R598 L602 L605 M678 | L596-H600 PolarHBondContact O-CD2 3.01Å; L596-H600 VanDerWaalsContact O-CD2 3.23Å; L596-H600 PolarHBondContact O-N 3.46Å; R598-H600 PolarHBondContact O-N 3.05Å; H600-L602 PolarHBondContact O-N 3.22Å; H600-L605 WeakPolarHBondContact O-CD1 3.26Å; H600-M678 HydrophobicContact CB-CG 3.51Å; H600-M678 HydrophobicContact CB-SD 4.24Å |
| 601 | D | 88.3 | Confident | 89.5 | Confident | 70 Ų | 70 | 46 Ų | 46 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 47.1 | -172.9 | -177.7 | 32.7 | 0 | 0 | 0 | 111.6 | I597 R598 P603 G604 L605 R608 | I597-D601 PolarHBondContact O-N 2.75Å; R598-D601 PolarHBondContact O-N 3.2Å; R598-D601 VanDerWaalsContact O-N 3.15Å; D601-P603 VanDerWaalsContact C-CD 3.47Å; D601-P603 VanDerWaalsContact C-N 3.34Å; D601-G604 PolarHBondContact O-N 2.95Å; D601-G604 WeakPolarHBondContact OD1-CA 3.45Å; D601-G604 PolarHBondContact OD1-N 3.25Å; D601-L605 WeakPolarHBondContact O-CB 3.4Å; D601-L605 WeakPolarHBondContact O-CG 3.47Å; D601-L605 PolarHBondContact O-N 3.23Å; D601-R608 IonicContact OD2-CZ 2.75Å; D601-R608 IonicContact OD2-NH1 3.66Å; D601-R608 PolarHBondContact OD2-NH1 3.18Å; D601-R608 IonicContact OD2-NH2 3.08Å; D601-R608 PolarHBondContact OD2-NH2 3.04Å |
| 602 | L | 85.6 | Confident | 89 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.1 | -44.9 | -176.2 | 176 | 159.5 | 0 | 0 | 0 | 112.6 | P530 I597 H600 L605 M606 M678 L679 | P530-L602 HydrophobicContact CB-CD2 4.26Å; P530-L602 HydrophobicContact CG-CD2 3.62Å; I597-L602 HydrophobicContact CG1-CD1 4.41Å; I597-L602 HydrophobicContact CG2-CB 4.05Å; I597-L602 PolarHBondContact O-N 2.84Å; H600-L602 PolarHBondContact O-N 3.22Å; L602-L605 PolarHBondContact O-N 3.01Å; L602-M606 VanDerWaalsContact O-CB 3.25Å; L602-M606 WeakPolarHBondContact O-CB 2.91Å; L602-M606 PolarHBondContact O-N 2.9Å; L602-M678 HydrophobicContact CB-CE 3.82Å; L602-M678 HydrophobicContact CB-SD 4.02Å; L602-M678 HydrophobicContact CD1-CE 3.58Å; L602-M678 HydrophobicContact CD1-SD 3.72Å; L602-M678 HydrophobicContact CG-CE 3.4Å; L602-M678 VanDerWaalsContact CG-CE 3.4Å; L602-M678 HydrophobicContact CG-SD 4.01Å; L602-L679 HydrophobicContact CD1-CD2 4.46Å |
| 603 | P | 85.2 | Confident | 88.9 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 177.6 | -22.8 | 34.8 | 0 | 0 | 0 | 112.7 | M498 M504 D601 M606 L607 | M498-P603 HydrophobicContact CE-CB 4.37Å; M498-P603 HydrophobicContact CE-CG 4.27Å; M498-P603 HydrophobicContact SD-CB 3.54Å; M498-P603 VanDerWaalsContact SD-CB 3.54Å; M498-P603 HydrophobicContact SD-CG 3.27Å; M498-P603 WeakPolarHBondContact SD-CG 3.45Å; M504-P603 HydrophobicContact SD-CG 3.91Å; D601-P603 VanDerWaalsContact C-CD 3.47Å; D601-P603 VanDerWaalsContact C-N 3.34Å; P603-M606 PolarHBondContact O-N 3.3Å; P603-L607 WeakPolarHBondContact O-CG 3.47Å; P603-L607 PolarHBondContact O-N 2.93Å |
| 604 | G | 87.2 | Confident | 89 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D601 R608 | D601-G604 PolarHBondContact O-N 2.95Å; D601-G604 WeakPolarHBondContact OD1-CA 3.45Å; D601-G604 PolarHBondContact OD1-N 3.25Å; G604-R608 WeakPolarHBondContact O-CB 3.48Å; G604-R608 VanDerWaalsContact O-CG 3.31Å; G604-R608 WeakPolarHBondContact O-CG 3.5Å; G604-R608 PolarHBondContact O-N 2.94Å; G604-R608 VanDerWaalsContact O-N 3.08Å; G604-R608 PolarHBondContact O-NE 2.99Å |
| 605 | L | 87.8 | Confident | 89 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 173.1 | -75.5 | 177.8 | 0 | 0 | 0 | 111.9 | H600 D601 L602 R608 A609 D674 F675 M678 | H600-L605 WeakPolarHBondContact O-CD1 3.26Å; D601-L605 WeakPolarHBondContact O-CB 3.4Å; D601-L605 WeakPolarHBondContact O-CG 3.47Å; D601-L605 PolarHBondContact O-N 3.23Å; L602-L605 PolarHBondContact O-N 3.01Å; L605-R608 PolarHBondContact O-N 3.2Å; L605-A609 WeakPolarHBondContact O-CB 3.48Å; L605-A609 PolarHBondContact O-N 3.17Å; L605-D674 HydrophobicContact CD2-CB 4.26Å; L605-F675 HydrophobicContact CB-CD2 4.4Å; L605-M678 HydrophobicContact CD1-CB 4.04Å; L605-M678 HydrophobicContact CD1-CG 3.98Å |
| 606 | M | 87.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 177.9 | -179 | 175.9 | 53.5 | 0 | 0 | 111.1 | L602 P603 R608 A609 F610 F675 | L602-M606 VanDerWaalsContact O-CB 3.25Å; L602-M606 WeakPolarHBondContact O-CB 2.91Å; L602-M606 PolarHBondContact O-N 2.9Å; P603-M606 PolarHBondContact O-N 3.3Å; M606-R608 PolarHBondContact O-N 2.9Å; M606-A609 PolarHBondContact O-N 3.1Å; M606-F610 HydrophobicContact CG-CD2 4.21Å; M606-F610 HydrophobicContact CG-CE2 4.31Å; M606-F610 WeakPolarHBondContact O-CD2 3.31Å; M606-F610 PolarHBondContact O-N 2.92Å; M606-F675 HydrophobicContact CB-CD2 4.13Å; M606-F675 HydrophobicContact CB-CE2 3.7Å; M606-F675 HydrophobicContact CB-CZ 4.27Å; M606-F675 HydrophobicContact CG-CE2 4.06Å; M606-F675 HydrophobicContact CG-CZ 4.12Å |
| 607 | L | 87.2 | Confident | 89.4 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 31% | 0.314 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57 | -52 | 175.6 | -76.6 | 173.3 | 0 | 0 | 0 | 111.5 | R266 N267 A268 P603 A609 F610 D611 | R266-L607 HydrophobicContact CB-CD2 4.12Å; R266-L607 HydrophobicContact CG-CD2 4.04Å; N267-L607 WeakPolarHBondContact O-CD2 3.46Å; A268-L607 HydrophobicContact CB-CD1 4.28Å; P603-L607 WeakPolarHBondContact O-CG 3.47Å; P603-L607 PolarHBondContact O-N 2.93Å; L607-A609 VanDerWaalsContact C-N 3.3Å; L607-A609 PolarHBondContact O-N 2.91Å; L607-F610 PolarHBondContact O-N 3.16Å; L607-D611 PolarHBondContact O-N 3.31Å; L607-D611 VanDerWaalsContact O-N 3.17Å |
| 608 | R | 89.7 | Confident | 89.7 | Confident | 112 Ų | 112 | 53.2 Ų | 53.2 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.9 | -29.8 | -179.8 | -69.8 | -176.2 | -65.1 | -105.1 | -0.8 | 113.7 | D601 G604 L605 M606 T671 | D601-R608 IonicContact OD2-CZ 2.75Å; D601-R608 IonicContact OD2-NH1 3.66Å; D601-R608 PolarHBondContact OD2-NH1 3.18Å; D601-R608 IonicContact OD2-NH2 3.08Å; D601-R608 PolarHBondContact OD2-NH2 3.04Å; G604-R608 WeakPolarHBondContact O-CB 3.48Å; G604-R608 VanDerWaalsContact O-CG 3.31Å; G604-R608 WeakPolarHBondContact O-CG 3.5Å; G604-R608 PolarHBondContact O-N 2.94Å; G604-R608 VanDerWaalsContact O-N 3.08Å; G604-R608 PolarHBondContact O-NE 2.99Å; L605-R608 PolarHBondContact O-N 3.2Å; M606-R608 PolarHBondContact O-N 2.9Å; R608-T671 HydrophobicContact CB-CG2 4.1Å; R608-T671 PolarHBondContact O-OG1 3.02Å; R608-T671 VanDerWaalsContact O-OG1 3.13Å |
| 609 | A | 89.4 | Confident | 90 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.9 | -33.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L605 M606 L607 L658 V672 F675 | L605-A609 WeakPolarHBondContact O-CB 3.48Å; L605-A609 PolarHBondContact O-N 3.17Å; M606-A609 PolarHBondContact O-N 3.1Å; L607-A609 VanDerWaalsContact C-N 3.3Å; L607-A609 PolarHBondContact O-N 2.91Å; A609-L658 HydrophobicContact CB-CD1 4.45Å; A609-V672 WeakPolarHBondContact O-CG2 3.28Å; A609-F675 HydrophobicContact CB-CB 3.66Å; A609-F675 HydrophobicContact CB-CD1 4.14Å; A609-F675 HydrophobicContact CB-CG 3.98Å |
| 610 | F | 87 | Confident | 90.4 | Very high | 38 Ų | 38 | 41 Ų | 41 | 17% | 0.167 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -92.8 | -15.1 | -179.6 | -76.9 | -79.1 | 0 | 0 | 0 | 114.2 | M606 L607 P651 P654 V656 L658 F675 | M606-F610 HydrophobicContact CG-CD2 4.21Å; M606-F610 HydrophobicContact CG-CE2 4.31Å; M606-F610 WeakPolarHBondContact O-CD2 3.31Å; M606-F610 PolarHBondContact O-N 2.92Å; L607-F610 PolarHBondContact O-N 3.16Å; F610-P651 HydrophobicContact CZ-CG 4.45Å; F610-P654 HydrophobicContact CD2-CG 4.36Å; F610-P654 HydrophobicContact CE1-CG 4.45Å; F610-P654 VanDerWaalsContact CE2-CD 3.49Å; F610-P654 HydrophobicContact CE2-CG 3.56Å; F610-P654 VanDerWaalsContact CZ-CD 3.46Å; F610-P654 HydrophobicContact CZ-CG 3.61Å; F610-V656 HydrophobicContact CD1-CG2 4.06Å; F610-V656 HydrophobicContact CE1-CG2 3.34Å; F610-V656 HydrophobicContact CZ-CG2 3.85Å; F610-L658 HydrophobicContact CD1-CD1 3.81Å; F610-L658 HydrophobicContact CD2-CD1 4.38Å; F610-L658 HydrophobicContact CE1-CB 4.05Å; F610-L658 HydrophobicContact CE1-CD1 3.58Å; F610-L658 HydrophobicContact CE1-CG 4.36Å; F610-L658 HydrophobicContact CE2-CD1 4.18Å; F610-L658 HydrophobicContact CG-CD1 4.2Å; F610-L658 HydrophobicContact CZ-CB 4.14Å; F610-L658 HydrophobicContact CZ-CD1 3.79Å; F610-L658 HydrophobicContact CZ-CD2 4.49Å; F610-L658 HydrophobicContact CZ-CG 4.36Å; F610-F675 HydrophobicContact CE2-CE1 4.09Å |
| 611 | D | 86.7 | Confident | 91 | Very high | 121 Ų | 121 | 40.3 Ų | 40.3 | 65% | 0.647 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -74.6 | -38.1 | 177.6 | -167.4 | 43.7 | 0 | 0 | 0 | 112.4 | K263 L607 | K263-D611 PolarHBondContact NZ-O 3.2Å; L607-D611 PolarHBondContact O-N 3.31Å; L607-D611 VanDerWaalsContact O-N 3.17Å |
| 612 | T | 86.7 | Confident | 91.5 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 29% | 0.288 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -91.2 | 122.9 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 111 | ||
| 613 | L | 92.1 | Very high | 92.1 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 24% | 0.236 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 138.1 | 171.4 | -70.7 | 178.1 | 0 | 0 | 0 | 110.5 | R242 W261 K263 | R242-L613 HydrophobicContact CG-CD2 3.97Å; W261-L613 HydrophobicContact CB-CD1 3.91Å; W261-L613 HydrophobicContact CG-CD1 4.17Å; K263-L613 HydrophobicContact CD-CD1 4.41Å; K263-L613 HydrophobicContact CG-CD1 4.27Å |
| 614 | P | 94.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 154.3 | 162.5 | -27.1 | 38.1 | 0 | 0 | 0 | 112.5 | L659 E663 L665 | P614-L659 HydrophobicContact CB-CD1 3.41Å; P614-L659 VanDerWaalsContact CB-CD1 3.41Å; P614-L659 HydrophobicContact CG-CD1 3.42Å; P614-L659 VanDerWaalsContact CG-CD1 3.42Å; P614-E663 HydrophobicContact CB-CB 3.82Å; P614-E663 HydrophobicContact CB-CG 4.28Å; P614-L665 HydrophobicContact CB-CD2 4.03Å; P614-L665 HydrophobicContact CG-CD2 3.79Å |
| 615 | E | 95.2 | Very high | 93.2 | Very high | 104 Ų | 104 | 46.3 Ų | 46.3 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.7 | 178.5 | -172.7 | -178.5 | -173 | 0 | 0 | 110.3 | I617 E663 M664 T666 | E615-I617 HydrophobicContact CB-CD1 4.46Å; E615-I617 HydrophobicContact CG-CD1 3.89Å; E615-I617 PolarHBondContact O-N 2.98Å; E615-E663 CarbonylContact O-C 3.57Å; E615-E663 VanDerWaalsContact O-CA 3.25Å; E615-E663 WeakPolarHBondContact O-CA 3.48Å; E615-M664 PolarHBondContact N-O 2.83Å; E615-M664 PolarHBondContact O-N 2.96Å; E615-T666 HydrophobicContact CB-CG2 3.82Å; E615-T666 WeakPolarHBondContact OE2-CG2 3.22Å |
| 616 | M | 96.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 48 Ų | 48 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 97.3 | 176.5 | -173.3 | -180 | 71.8 | 0 | 0 | 110.4 | V258 P259 T292 M618 E663 | V258-M616 HydrophobicContact CG1-CE 4.25Å; P259-M616 HydrophobicContact CG-SD 3.69Å; T292-M616 HydrophobicContact CG2-CE 3.67Å; M616-M618 VanDerWaalsContact CG-O 3.29Å; M616-M618 WeakPolarHBondContact CG-O 3.32Å; M616-E663 HydrophobicContact CB-CG 4.3Å |
| 617 | I | 96.5 | Very high | 94.1 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -75.5 | -32.2 | 179.2 | -58.5 | -57.5 | 0 | 0 | 0 | 111.6 | E615 V644 G662 M664 | E615-I617 HydrophobicContact CB-CD1 4.46Å; E615-I617 HydrophobicContact CG-CD1 3.89Å; E615-I617 PolarHBondContact O-N 2.98Å; I617-V644 HydrophobicContact CB-CG2 4.14Å; I617-V644 HydrophobicContact CG1-CG2 4.1Å; I617-V644 HydrophobicContact CG2-CG2 4.14Å; I617-G662 PolarHBondContact N-O 2.9Å; I617-M664 HydrophobicContact CD1-CB 4.35Å; I617-M664 HydrophobicContact CD1-CE 3.8Å; I617-M664 HydrophobicContact CG1-CB 3.63Å; I617-M664 HydrophobicContact CG1-CE 4.23Å; I617-M664 HydrophobicContact CG1-SD 4.35Å |
| 618 | M | 96.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 50.5 Ų | 50.5 | 15% | 0.148 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -153.2 | 162.4 | 175.8 | 62.2 | -171.2 | 67.4 | 0 | 0 | 110.1 | M616 Q622 A623 G662 L709 | M616-M618 VanDerWaalsContact CG-O 3.29Å; M616-M618 WeakPolarHBondContact CG-O 3.32Å; M618-Q622 HydrophobicContact CB-CB 3.97Å; M618-Q622 VanDerWaalsContact CB-OE1 3.27Å; M618-Q622 HydrophobicContact CG-CB 4.23Å; M618-Q622 HydrophobicContact SD-CB 4.29Å; M618-A623 HydrophobicContact CG-CB 4.13Å; M618-A623 HydrophobicContact SD-CB 4.17Å; M618-G662 PolarHBondContact N-O 3.46Å; M618-L709 HydrophobicContact CE-CD1 4.03Å; M618-L709 HydrophobicContact SD-CD1 3.55Å; M618-L709 VanDerWaalsContact SD-CD1 3.55Å |
| 619 | T | 97.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -65.8 | 155.4 | 178 | 67.8 | 0 | 0 | 0 | 0 | 110.8 | V257 V258 H621 Q622 A623 | V257-T619 WeakPolarHBondContact O-CG2 3.41Å; V258-T619 HydrophobicContact CG2-CG2 4.33Å; T619-H621 PolarHBondContact O-N 3.21Å; T619-Q622 PolarHBondContact O-N 3.17Å; T619-Q622 WeakPolarHBondContact OG1-CG 3.42Å; T619-Q622 PolarHBondContact OG1-N 3.36Å; T619-A623 PolarHBondContact O-N 3.21Å | ||
| 620 | P | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.6 | -33.5 | 173.7 | -27.5 | 36 | 0 | 0 | 0 | 113.1 | L252 M253 P259 W624 M660 P661 | L252-P620 HydrophobicContact CB-CB 3.99Å; L252-P620 HydrophobicContact CB-CG 3.98Å; L252-P620 HydrophobicContact CD1-CG 4.34Å; M253-P620 HydrophobicContact CG-CB 4.01Å; P259-P620 HydrophobicContact CG-CG 4.49Å; P620-W624 VanDerWaalsContact O-CB 3.29Å; P620-W624 WeakPolarHBondContact O-CB 3.39Å; P620-W624 PolarHBondContact O-N 2.95Å; P620-M660 HydrophobicContact CG-CE 4.33Å; P620-P661 WeakPolarHBondContact CA-O 3.47Å; P620-P661 HydrophobicContact CB-CB 4.32Å |
| 621 | H | 97.9 | Very high | 95.6 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -52.2 | 172.4 | -176.1 | 75.7 | 0 | 0 | 0 | 112.1 | L252 M253 M254 N255 D256 T619 A623 W624 Q625 | L252-H621 PolarHBondContact O-N 3.45Å; L252-H621 VanDerWaalsContact O-N 3.1Å; M253-H621 PolarHBondContact O-ND1 3.11Å; M254-H621 PolarHBondContact O-ND1 2.84Å; N255-H621 WeakPolarHBondContact O-CB 3.31Å; D256-H621 IonicContact OD1-CD2 3.22Å; T619-H621 PolarHBondContact O-N 3.21Å; H621-A623 VanDerWaalsContact C-N 3.34Å; H621-A623 PolarHBondContact O-N 3.38Å; H621-W624 WeakPolarHBondContact O-CB 3.42Å; H621-W624 PolarHBondContact O-N 3.06Å; H621-W624 VanDerWaalsContact O-N 3.16Å; H621-Q625 PolarHBondContact CE1-NE2 2.73Å; H621-Q625 VanDerWaalsContact CE1-NE2 3.32Å; H621-Q625 WeakPolarHBondContact O-CG 3.19Å; H621-Q625 PolarHBondContact O-N 3.21Å |
| 622 | Q | 97.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61 | -42 | 179.6 | -71.6 | 168 | -8.5 | 0 | 0 | 112 | M618 T619 W624 Q625 R626 | M618-Q622 HydrophobicContact CB-CB 3.97Å; M618-Q622 VanDerWaalsContact CB-OE1 3.27Å; M618-Q622 HydrophobicContact CG-CB 4.23Å; M618-Q622 HydrophobicContact SD-CB 4.29Å; T619-Q622 PolarHBondContact O-N 3.17Å; T619-Q622 WeakPolarHBondContact OG1-CG 3.42Å; T619-Q622 PolarHBondContact OG1-N 3.36Å; Q622-W624 VanDerWaalsContact C-N 3.35Å; Q622-W624 PolarHBondContact O-N 3.26Å; Q622-Q625 PolarHBondContact O-N 3.05Å; Q622-R626 PolarHBondContact O-N 2.78Å; Q622-R626 VanDerWaalsContact O-N 3.09Å |
| 623 | A | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | M618 T619 H621 R626 Q627 P661 G662 L709 | M618-A623 HydrophobicContact CG-CB 4.13Å; M618-A623 HydrophobicContact SD-CB 4.17Å; T619-A623 PolarHBondContact O-N 3.21Å; H621-A623 VanDerWaalsContact C-N 3.34Å; H621-A623 PolarHBondContact O-N 3.38Å; A623-R626 PolarHBondContact O-N 3.47Å; A623-Q627 PolarHBondContact O-N 3.46Å; A623-P661 HydrophobicContact CB-CB 3.95Å; A623-G662 VanDerWaalsContact CB-CA 3.5Å; A623-L709 HydrophobicContact CB-CD1 4.31Å |
| 624 | W | 97.7 | Very high | 96.8 | Very high | 86 Ų | 86 | 53.6 Ų | 53.6 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.1 | 179.1 | -116.6 | 0 | 0 | 0 | 112.2 | M253 P620 H621 Q622 R626 Q627 I628 | M253-W624 HydrophobicContact CB-CB 4.16Å; M253-W624 HydrophobicContact CB-CG 4.26Å; M253-W624 HydrophobicContact CE-CB 4.33Å; M253-W624 HydrophobicContact CE-CD2 3.63Å; M253-W624 HydrophobicContact CE-CE3 3.31Å; M253-W624 HydrophobicContact CE-CG 4.07Å; M253-W624 HydrophobicContact CE-CZ3 3.79Å; M253-W624 HydrophobicContact CG-CB 4.42Å; P620-W624 VanDerWaalsContact O-CB 3.29Å; P620-W624 WeakPolarHBondContact O-CB 3.39Å; P620-W624 PolarHBondContact O-N 2.95Å; H621-W624 WeakPolarHBondContact O-CB 3.42Å; H621-W624 PolarHBondContact O-N 3.06Å; H621-W624 VanDerWaalsContact O-N 3.16Å; Q622-W624 VanDerWaalsContact C-N 3.35Å; Q622-W624 PolarHBondContact O-N 3.26Å; W624-R626 VanDerWaalsContact C-N 3.31Å; W624-R626 PolarHBondContact O-N 2.56Å; W624-Q627 HydrophobicContact CE3-CB 4.45Å; W624-Q627 HydrophobicContact CE3-CG 4.35Å; W624-Q627 HydrophobicContact CZ3-CG 4.34Å; W624-Q627 WeakPolarHBondContact O-CB 3.29Å; W624-Q627 PolarHBondContact O-N 3.41Å; W624-Q627 VanDerWaalsContact O-N 3.14Å; W624-I628 HydrophobicContact CD2-CG2 4.05Å; W624-I628 HydrophobicContact CE3-CG2 4.46Å; W624-I628 HydrophobicContact CH2-CG2 4.14Å; W624-I628 HydrophobicContact CZ2-CG2 3.66Å; W624-I628 PolarHBondContact O-N 2.73Å |
| 625 | Q | 98 | Very high | 96.9 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 175.5 | -67.7 | -55.1 | -42.5 | 0 | 0 | 112.5 | H621 Q622 I628 K629 | H621-Q625 PolarHBondContact CE1-NE2 2.73Å; H621-Q625 VanDerWaalsContact CE1-NE2 3.32Å; H621-Q625 WeakPolarHBondContact O-CG 3.19Å; H621-Q625 PolarHBondContact O-N 3.21Å; Q622-Q625 PolarHBondContact O-N 3.05Å; Q625-I628 WeakPolarHBondContact O-CG1 3.23Å; Q625-K629 VanDerWaalsContact O-CG 3.29Å; Q625-K629 WeakPolarHBondContact O-CG 3.35Å; Q625-K629 PolarHBondContact O-N 3.42Å |
| 626 | R | 97.7 | Very high | 97 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 23% | 0.226 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.8 | -39.1 | 175.2 | -68.1 | -174.3 | 66.6 | -158.8 | -4.2 | 112 | Q622 A623 W624 I628 K629 G630 E631 L709 K710 | Q622-R626 PolarHBondContact O-N 2.78Å; Q622-R626 VanDerWaalsContact O-N 3.09Å; A623-R626 PolarHBondContact O-N 3.47Å; W624-R626 VanDerWaalsContact C-N 3.31Å; W624-R626 PolarHBondContact O-N 2.56Å; R626-I628 PolarHBondContact O-N 3.05Å; R626-K629 PolarHBondContact O-N 3.1Å; R626-G630 PolarHBondContact O-N 3.41Å; R626-E631 HydrophobicContact CB-CB 4.28Å; R626-E631 WeakPolarHBondContact CG-OE2 3.47Å; R626-E631 IonicContact CZ-OE2 3.31Å; R626-E631 IonicContact NE-OE2 2.64Å; R626-E631 PolarHBondContact NE-OE2 3.35Å; R626-E631 IonicContact NH2-OE2 3.47Å; R626-E631 PolarHBondContact NH2-OE2 2.72Å; R626-E631 WeakPolarHBondContact O-CB 3.33Å; R626-E631 PolarHBondContact O-N 2.99Å; R626-E631 VanDerWaalsContact O-N 3.1Å; R626-L709 HydrophobicContact CB-CD1 4.43Å; R626-L709 HydrophobicContact CB-CD2 3.94Å; R626-K710 PolarHBondContact NH2-O 2.93Å |
| 627 | Q | 96.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 176.3 | 171.3 | 156.5 | -47.6 | 0 | 0 | 112.6 | A623 W624 K629 G630 V632 A646 N647 | A623-Q627 PolarHBondContact O-N 3.46Å; W624-Q627 HydrophobicContact CE3-CB 4.45Å; W624-Q627 HydrophobicContact CE3-CG 4.35Å; W624-Q627 HydrophobicContact CZ3-CG 4.34Å; W624-Q627 WeakPolarHBondContact O-CB 3.29Å; W624-Q627 PolarHBondContact O-N 3.41Å; W624-Q627 VanDerWaalsContact O-N 3.14Å; Q627-K629 VanDerWaalsContact C-N 3.25Å; Q627-K629 PolarHBondContact O-N 2.9Å; Q627-G630 PolarHBondContact O-N 3.41Å; Q627-V632 HydrophobicContact CB-CG1 3.96Å; Q627-V632 HydrophobicContact CG-CG1 4.11Å; Q627-A646 VanDerWaalsContact OE1-C 3.29Å; Q627-A646 PolarHBondContact OE1-O 3.38Å; Q627-A646 VanDerWaalsContact OE1-O 3.05Å; Q627-N647 PolarHBondContact NE2-OD1 3.39Å; Q627-N647 PolarHBondContact OE1-OD1 3.27Å |
| 628 | I | 96 | Very high | 96.8 | Very high | 98 Ų | 98 | 48.9 Ų | 48.9 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.4 | -22.9 | 179.5 | 63.9 | 175.6 | 0 | 0 | 0 | 113 | W624 Q625 R626 G630 | W624-I628 HydrophobicContact CD2-CG2 4.05Å; W624-I628 HydrophobicContact CE3-CG2 4.46Å; W624-I628 HydrophobicContact CH2-CG2 4.14Å; W624-I628 HydrophobicContact CZ2-CG2 3.66Å; W624-I628 PolarHBondContact O-N 2.73Å; Q625-I628 WeakPolarHBondContact O-CG1 3.23Å; R626-I628 PolarHBondContact O-N 3.05Å; I628-G630 PolarHBondContact O-N 2.99Å |
| 629 | K | 96.8 | Very high | 96.8 | Very high | 146 Ų | 146 | 53.1 Ų | 53.1 | 64% | 0.635 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -3.4 | 169.9 | -70.7 | 172 | -176.1 | 177.9 | 0 | 113.6 | Q625 R626 Q627 E631 | Q625-K629 VanDerWaalsContact O-CG 3.29Å; Q625-K629 WeakPolarHBondContact O-CG 3.35Å; Q625-K629 PolarHBondContact O-N 3.42Å; R626-K629 PolarHBondContact O-N 3.1Å; Q627-K629 VanDerWaalsContact C-N 3.25Å; Q627-K629 PolarHBondContact O-N 2.9Å; K629-E631 VanDerWaalsContact C-N 3.34Å; K629-E631 HydrophobicContact CB-CG 4.07Å; K629-E631 WeakPolarHBondContact CD-OE1 3.48Å |
| 630 | G | 96.2 | Very high | 96.7 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 16.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | R626 Q627 I628 V632 | R626-G630 PolarHBondContact O-N 3.41Å; Q627-G630 PolarHBondContact O-N 3.41Å; I628-G630 PolarHBondContact O-N 2.99Å; G630-V632 PolarHBondContact O-N 2.77Å |
| 631 | E | 97 | Very high | 96.6 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | trans | -81.5 | 46.7 | 179.8 | -59.4 | 175.1 | -156.5 | 0 | 0 | 112.3 | R626 K629 L709 K710 | R626-E631 HydrophobicContact CB-CB 4.28Å; R626-E631 WeakPolarHBondContact CG-OE2 3.47Å; R626-E631 IonicContact CZ-OE2 3.31Å; R626-E631 IonicContact NE-OE2 2.64Å; R626-E631 PolarHBondContact NE-OE2 3.35Å; R626-E631 IonicContact NH2-OE2 3.47Å; R626-E631 PolarHBondContact NH2-OE2 2.72Å; R626-E631 WeakPolarHBondContact O-CB 3.33Å; R626-E631 PolarHBondContact O-N 2.99Å; R626-E631 VanDerWaalsContact O-N 3.1Å; K629-E631 VanDerWaalsContact C-N 3.34Å; K629-E631 HydrophobicContact CB-CG 4.07Å; K629-E631 WeakPolarHBondContact CD-OE1 3.48Å; E631-L709 WeakPolarHBondContact O-CA 3.41Å; E631-K710 PolarHBondContact O-N 3.29Å | ||
| 632 | V | 97.2 | Very high | 96.5 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.2 | -170.9 | -73.7 | 0 | 0 | 0 | 0 | 111 | Q627 G630 A646 V708 L709 K710 | Q627-V632 HydrophobicContact CB-CG1 3.96Å; Q627-V632 HydrophobicContact CG-CG1 4.11Å; G630-V632 PolarHBondContact O-N 2.77Å; V632-A646 HydrophobicContact CG1-CB 3.73Å; V632-V708 VanDerWaalsContact CA-O 3.27Å; V632-V708 WeakPolarHBondContact CA-O 3.13Å; V632-L709 HydrophobicContact CG1-CD2 3.85Å; V632-K710 VanDerWaalsContact O-CE 3.23Å; V632-K710 WeakPolarHBondContact O-CE 3.45Å |
| 633 | E | 97 | Very high | 96.5 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 164.1 | 169.4 | 63.4 | 178.7 | 175.3 | 0 | 0 | 110.1 | I635 R643 R707 V708 K710 | E633-I635 HydrophobicContact CG-CG2 4.23Å; E633-R643 IonicContact OE1-CZ 3.53Å; E633-R643 IonicContact OE1-NH1 3.4Å; E633-R643 PolarHBondContact OE1-NH1 3.37Å; E633-R643 IonicContact OE1-NH2 2.78Å; E633-R643 PolarHBondContact OE1-NH2 3.24Å; E633-R707 WeakPolarHBondContact O-CA 3.36Å; E633-V708 HydrophobicContact CG-CG2 3.84Å; E633-V708 PolarHBondContact N-O 3.34Å; E633-V708 PolarHBondContact O-N 3.34Å; E633-K710 HydrophobicContact CB-CG 4.25Å; E633-K710 HydrophobicContact CG-CG 4.27Å |
| 634 | T | 96.4 | Very high | 96.5 | Very high | 78 Ų | 78 | 54.6 Ų | 54.6 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.9 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 108.2 | R705 V706 | T634-R705 HydrophobicContact CG2-CB 3.63Å; T634-R705 HydrophobicContact CG2-CG 4.36Å; T634-V706 WeakPolarHBondContact CA-O 3.39Å |
| 635 | I | 96.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 164.6 | 179.8 | 64.1 | 169.7 | 0 | 0 | 0 | 110.5 | E633 Q639 R643 R705 V706 V708 | E633-I635 HydrophobicContact CG-CG2 4.23Å; I635-Q639 HydrophobicContact CD1-CB 4.09Å; I635-Q639 WeakPolarHBondContact CD1-O 3.3Å; I635-R643 HydrophobicContact CD1-CB 4.14Å; I635-R643 HydrophobicContact CD1-CG 3.79Å; I635-R705 VanDerWaalsContact O-CA 3.23Å; I635-R705 WeakPolarHBondContact O-CA 3.38Å; I635-R705 WeakPolarHBondContact O-CB 3.47Å; I635-V706 HydrophobicContact CG1-CG2 3.94Å; I635-V706 PolarHBondContact N-O 3.11Å; I635-V706 PolarHBondContact O-N 3.35Å; I635-V708 HydrophobicContact CD1-CB 4.38Å; I635-V708 HydrophobicContact CD1-CG1 3.66Å; I635-V708 HydrophobicContact CD1-CG2 3.83Å; I635-V708 HydrophobicContact CG1-CG1 3.96Å; I635-V708 HydrophobicContact CG1-CG2 3.9Å; I635-V708 HydrophobicContact CG2-CG2 3.87Å |
| 636 | A | 96.2 | Very high | 96.5 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 144.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E638 Q639 V703 | A636-E638 WeakPolarHBondContact CB-OE2 3.48Å; A636-E638 PolarHBondContact O-N 3.37Å; A636-Q639 HydrophobicContact CB-CG 4.33Å; A636-Q639 WeakPolarHBondContact O-CB 3.22Å; A636-Q639 PolarHBondContact O-N 3.43Å; A636-V703 HydrophobicContact CB-CG1 4.13Å |
| 637 | L | 94.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -57.7 | -36 | -177.6 | 177.2 | 61.7 | 0 | 0 | 0 | 111.9 | Q639 L640 L673 L676 L677 Y704 V706 | L637-Q639 PolarHBondContact O-N 3.1Å; L637-Q639 VanDerWaalsContact O-N 3.09Å; L637-L640 HydrophobicContact CD1-CD2 3.98Å; L637-L640 WeakPolarHBondContact O-CB 3.42Å; L637-L640 PolarHBondContact O-N 3.01Å; L637-L640 VanDerWaalsContact O-N 3.11Å; L637-L673 HydrophobicContact CD1-CD1 4.14Å; L637-L673 HydrophobicContact CG-CD1 3.99Å; L637-L673 WeakPolarHBondContact O-CD1 3.41Å; L637-L676 HydrophobicContact CD1-CB 4.47Å; L637-L676 HydrophobicContact CD1-CD1 4.16Å; L637-L676 HydrophobicContact CD2-CB 4.09Å; L637-L677 HydrophobicContact CB-CD2 4.43Å; L637-L677 HydrophobicContact CD2-CD2 3.97Å; L637-L677 HydrophobicContact CG-CD2 4Å; L637-Y704 VanDerWaalsContact CB-O 3.26Å; L637-Y704 WeakPolarHBondContact CB-O 3.48Å; L637-Y704 PolarHBondContact N-O 3.07Å; L637-V706 HydrophobicContact CD1-CG1 3.83Å; L637-V706 HydrophobicContact CD1-CG2 4.5Å |
| 638 | E | 94.8 | Very high | 96.3 | Very high | 103 Ų | 103 | 47.3 Ų | 47.3 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -59.7 | -21.1 | 177.3 | -59.8 | 77.1 | -173.8 | 0 | 0 | 113 | A636 L677 | A636-E638 WeakPolarHBondContact CB-OE2 3.48Å; A636-E638 PolarHBondContact O-N 3.37Å; E638-L677 HydrophobicContact CG-CD1 4.34Å; E638-L677 HydrophobicContact CG-CD2 3.73Å |
| 639 | Q | 95.6 | Very high | 96.3 | Very high | 119 Ų | 119 | 42.8 Ų | 42.8 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -96 | 8.9 | -178 | -60.1 | 175.5 | -28.9 | 0 | 0 | 113 | I635 A636 L637 V641 R643 | I635-Q639 HydrophobicContact CD1-CB 4.09Å; I635-Q639 WeakPolarHBondContact CD1-O 3.3Å; A636-Q639 HydrophobicContact CB-CG 4.33Å; A636-Q639 WeakPolarHBondContact O-CB 3.22Å; A636-Q639 PolarHBondContact O-N 3.43Å; L637-Q639 PolarHBondContact O-N 3.1Å; L637-Q639 VanDerWaalsContact O-N 3.09Å; Q639-V641 VanDerWaalsContact C-N 3.34Å; Q639-V641 PolarHBondContact O-N 2.88Å; Q639-R643 VanDerWaalsContact O-CG 3.27Å; Q639-R643 WeakPolarHBondContact O-CG 3.46Å |
| 640 | L | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -70.1 | -24.6 | -172.6 | -173.9 | 57.9 | 0 | 0 | 0 | 114.3 | L637 G642 R643 I649 L659 L665 L673 V706 V708 | L637-L640 HydrophobicContact CD1-CD2 3.98Å; L637-L640 WeakPolarHBondContact O-CB 3.42Å; L637-L640 PolarHBondContact O-N 3.01Å; L637-L640 VanDerWaalsContact O-N 3.11Å; L640-G642 PolarHBondContact O-N 3.38Å; L640-R643 WeakPolarHBondContact O-CB 3.43Å; L640-R643 PolarHBondContact O-N 3.12Å; L640-R643 VanDerWaalsContact O-N 3.11Å; L640-I649 HydrophobicContact CD2-CD1 3.72Å; L640-L659 HydrophobicContact CD1-CD2 4.44Å; L640-L659 HydrophobicContact CD2-CD2 4.01Å; L640-L665 HydrophobicContact CB-CD1 4.4Å; L640-L665 HydrophobicContact CD2-CD1 3.62Å; L640-L665 HydrophobicContact CD2-CG 4.35Å; L640-L665 HydrophobicContact CG-CD1 3.79Å; L640-L665 HydrophobicContact CG-CG 4.24Å; L640-L673 HydrophobicContact CB-CD1 4.43Å; L640-V706 HydrophobicContact CD1-CG2 3.99Å; L640-V708 HydrophobicContact CD1-CG1 3.81Å | ||
| 641 | V | 96.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 34.1 Ų | 34.1 | 34% | 0.339 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -63.2 | 129.6 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | Q639 R643 L665 L673 | Q639-V641 VanDerWaalsContact C-N 3.34Å; Q639-V641 PolarHBondContact O-N 2.88Å; V641-R643 VanDerWaalsContact C-N 3.3Å; V641-L665 HydrophobicContact CG2-CB 4.42Å; V641-L673 HydrophobicContact CG2-CD2 3.71Å |
| 642 | G | 96.2 | Very high | 95.2 | Very high | 30 Ų | 30 | 35.6 Ų | 35.6 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 9.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L640 M664 L665 | L640-G642 PolarHBondContact O-N 3.38Å; G642-M664 VanDerWaalsContact C-SD 3.53Å; G642-L665 PolarHBondContact N-O 3.47Å |
| 643 | R | 97.3 | Very high | 94 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | trans | -115 | 137.7 | 178.7 | -54.2 | -57.7 | -49 | -87.3 | -4.1 | 110.4 | E633 I635 Q639 L640 V641 V708 L709 | E633-R643 IonicContact OE1-CZ 3.53Å; E633-R643 IonicContact OE1-NH1 3.4Å; E633-R643 PolarHBondContact OE1-NH1 3.37Å; E633-R643 IonicContact OE1-NH2 2.78Å; E633-R643 PolarHBondContact OE1-NH2 3.24Å; I635-R643 HydrophobicContact CD1-CB 4.14Å; I635-R643 HydrophobicContact CD1-CG 3.79Å; Q639-R643 VanDerWaalsContact O-CG 3.27Å; Q639-R643 WeakPolarHBondContact O-CG 3.46Å; L640-R643 WeakPolarHBondContact O-CB 3.43Å; L640-R643 PolarHBondContact O-N 3.12Å; L640-R643 VanDerWaalsContact O-N 3.11Å; V641-R643 VanDerWaalsContact C-N 3.3Å; R643-V708 HydrophobicContact CB-CB 4.17Å; R643-V708 HydrophobicContact CB-CG1 3.87Å; R643-V708 HydrophobicContact CB-CG2 4.48Å; R643-V708 VanDerWaalsContact NH2-CG2 3.33Å; R643-L709 PolarHBondContact NH2-O 2.96Å | ||
| 644 | V | 97.5 | Very high | 92.7 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -81.9 | 121.2 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | I617 E663 M664 V708 L709 | I617-V644 HydrophobicContact CB-CG2 4.14Å; I617-V644 HydrophobicContact CG1-CG2 4.1Å; I617-V644 HydrophobicContact CG2-CG2 4.14Å; V644-E663 WeakPolarHBondContact CA-O 3.27Å; V644-M664 HydrophobicContact CG2-CB 4.35Å; V644-V708 CarbonylContact O-C 3.58Å; V644-V708 VanDerWaalsContact O-CA 3.27Å; V644-V708 WeakPolarHBondContact O-CA 3.16Å; V644-V708 WeakPolarHBondContact O-CB 3.49Å; V644-L709 HydrophobicContact CB-CB 4.35Å; V644-L709 HydrophobicContact CB-CD1 4.18Å; V644-L709 HydrophobicContact CB-CG 4.37Å; V644-L709 HydrophobicContact CG1-CD1 3.7Å; V644-L709 HydrophobicContact CG1-CG 4.21Å; V644-L709 PolarHBondContact O-N 3.26Å |
| 645 | S | 97.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -66.5 | 134.1 | 179.2 | -164 | 0 | 0 | 0 | 0 | 111.1 | N647 G662 E663 | S645-N647 PolarHBondContact OG-O 3.06Å; S645-G662 PolarHBondContact O-N 2.91Å; S645-E663 PolarHBondContact N-O 3.47Å |
| 646 | A | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -91.5 | -26 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q627 V632 R707 L709 | Q627-A646 VanDerWaalsContact OE1-C 3.29Å; Q627-A646 PolarHBondContact OE1-O 3.38Å; Q627-A646 VanDerWaalsContact OE1-O 3.05Å; V632-A646 HydrophobicContact CG1-CB 3.73Å; A646-R707 HydrophobicContact CB-CB 4.3Å; A646-R707 WeakPolarHBondContact CB-O 3.28Å; A646-R707 PolarHBondContact N-O 3.43Å; A646-L709 HydrophobicContact CB-CD2 3.82Å; A646-L709 HydrophobicContact CB-CG 4.34Å |
| 647 | N | 95.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 29.1 Ų | 29.1 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -115 | 163.3 | 178.3 | -73.2 | -22.6 | 0 | 0 | 0 | 111.4 | Q627 S645 | Q627-N647 PolarHBondContact NE2-OD1 3.39Å; Q627-N647 PolarHBondContact OE1-OD1 3.27Å; S645-N647 PolarHBondContact OG-O 3.06Å |
| 648 | M | 95.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 15% | 0.153 | 16% | 0.156 | C | C | . | . | trans | -70.7 | 136.6 | 163.8 | -174.8 | 179.1 | 65.9 | 0 | 0 | 109.8 | K246 A249 L650 P657 L659 M660 | K246-M648 HydrophobicContact CB-CE 3.83Å; A249-M648 HydrophobicContact CB-SD 3.72Å; M648-L650 HydrophobicContact CE-CB 4.26Å; M648-L650 HydrophobicContact CE-CD1 3.83Å; M648-L650 HydrophobicContact SD-CD1 4.47Å; M648-P657 HydrophobicContact CG-CB 4.07Å; M648-P657 HydrophobicContact SD-CB 3.78Å; M648-P657 HydrophobicContact SD-CG 3.65Å; M648-L659 CarbonylContact C-O 3.57Å; M648-L659 VanDerWaalsContact CA-O 3.26Å; M648-L659 WeakPolarHBondContact CA-O 3.23Å; M648-M660 HydrophobicContact CG-SD 4.3Å; M648-M660 HydrophobicContact SD-SD 4.35Å | ||
| 649 | I | 95.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -107.3 | 120.8 | 168.9 | -54.2 | -176.6 | 0 | 0 | 0 | 108.4 | L640 L658 L659 L676 I693 H694 V706 | L640-I649 HydrophobicContact CD2-CD1 3.72Å; I649-L658 PolarHBondContact O-N 3.38Å; I649-L659 HydrophobicContact CB-CB 3.98Å; I649-L659 HydrophobicContact CD1-CB 4.36Å; I649-L659 HydrophobicContact CD1-CD2 3.69Å; I649-L659 HydrophobicContact CG1-CB 4.21Å; I649-L659 HydrophobicContact CG1-CD2 4.24Å; I649-L659 PolarHBondContact N-O 3.43Å; I649-L659 PolarHBondContact O-N 2.97Å; I649-L676 HydrophobicContact CG2-CD1 4.06Å; I649-L676 HydrophobicContact CG2-CD2 3.91Å; I649-I693 HydrophobicContact CG2-CG2 3.6Å; I649-H694 WeakPolarHBondContact CA-O 3.38Å; I649-V706 HydrophobicContact CD1-CG1 4.1Å |
| 650 | L | 92.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 100.6 | -175.6 | -173.8 | 168 | 0 | 0 | 0 | 109 | M648 Y652 P657 H694 | M648-L650 HydrophobicContact CE-CB 4.26Å; M648-L650 HydrophobicContact CE-CD1 3.83Å; M648-L650 HydrophobicContact SD-CD1 4.47Å; L650-Y652 HydrophobicContact CD2-CD2 3.86Å; L650-Y652 HydrophobicContact CD2-CE1 4.25Å; L650-Y652 HydrophobicContact CD2-CE2 3.22Å; L650-Y652 VanDerWaalsContact CD2-CZ 3.44Å; L650-P657 HydrophobicContact CD1-CG 4.38Å; L650-H694 HydrophobicContact CB-CB 4.16Å; L650-H694 PolarHBondContact N-O 2.92Å; L650-H694 PolarHBondContact O-N 3.43Å |
| 651 | P | 90.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 147.9 | 178.7 | 31.8 | -32.6 | 0 | 0 | 0 | 112.9 | F610 P653 G655 L658 F675 L676 L679 I693 | F610-P651 HydrophobicContact CZ-CG 4.45Å; P651-P653 CarbonylContact C-O 3.51Å; P651-P653 CarbonylContact O-C 3.52Å; P651-P653 VanDerWaalsContact O-C 3.28Å; P651-G655 WeakPolarHBondContact O-CA 3.09Å; P651-G655 PolarHBondContact O-N 2.94Å; P651-L658 HydrophobicContact CG-CB 4.21Å; P651-L658 HydrophobicContact CG-CD2 3.93Å; P651-F675 HydrophobicContact CB-CE1 4.18Å; P651-F675 HydrophobicContact CG-CE1 3.77Å; P651-L676 HydrophobicContact CB-CD2 4.1Å; P651-L676 HydrophobicContact CG-CD2 4.22Å; P651-L679 HydrophobicContact CB-CD1 3.56Å; P651-I693 HydrophobicContact CB-CG1 4.19Å |
| 652 | Y | 83.3 | Confident | 90.7 | Very high | 97 Ų | 97 | 16 Ų | 16 | 38% | 0.38 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120 | 165.9 | -68.4 | -89.5 | 0 | 0 | 0 | 110.3 | L650 G655 D692 H694 | L650-Y652 HydrophobicContact CD2-CD2 3.86Å; L650-Y652 HydrophobicContact CD2-CE1 4.25Å; L650-Y652 HydrophobicContact CD2-CE2 3.22Å; L650-Y652 VanDerWaalsContact CD2-CZ 3.44Å; Y652-G655 VanDerWaalsContact CD1-CA 3.42Å; Y652-D692 HydrophobicContact CD2-CB 4.43Å; Y652-D692 PolarHBondContact N-O 3.37Å; Y652-H694 AromaticContact CE2-CE1 3.89Å; Y652-H694 AromaticContact CE2-NE2 3.98Å |
| 653 | P | 71.4 | Confident | 90.7 | Very high | 27 Ų | 27 | 14.7 Ų | 14.7 | 18% | 0.175 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -71.6 | 163 | -6.1 | 31.3 | -35.7 | 0 | 0 | 0 | 113.2 | P530 P651 | P530-P653 HydrophobicContact CG-CG 4.35Å; P651-P653 CarbonylContact C-O 3.51Å; P651-P653 CarbonylContact O-C 3.52Å; P651-P653 VanDerWaalsContact O-C 3.28Å |
| 654 | P | 70.1 | Confident | 90.7 | Very high | 10 Ų | 10 | 14.7 Ų | 14.7 | 7% | 0.065 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -100.9 | 6.4 | 2.1 | 33.4 | -22.8 | 0 | 0 | 0 | 114.4 | L272 F610 V656 | L272-P654 HydrophobicContact CD1-CB 4.34Å; F610-P654 HydrophobicContact CD2-CG 4.36Å; F610-P654 HydrophobicContact CE1-CG 4.45Å; F610-P654 VanDerWaalsContact CE2-CD 3.49Å; F610-P654 HydrophobicContact CE2-CG 3.56Å; F610-P654 VanDerWaalsContact CZ-CD 3.46Å; F610-P654 HydrophobicContact CZ-CG 3.61Å; P654-V656 HydrophobicContact CG-CG2 4.1Å |
| 655 | G | 75.4 | Confident | 90.7 | Very high | 22 Ų | 22 | 14 Ų | 14 | 23% | 0.227 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 26.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | P651 Y652 | P651-G655 WeakPolarHBondContact O-CA 3.09Å; P651-G655 PolarHBondContact O-N 2.94Å; Y652-G655 VanDerWaalsContact CD1-CA 3.42Å |
| 656 | V | 81.8 | Confident | 90.5 | Very high | 11 Ų | 11 | 15 Ų | 15 | 7% | 0.067 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -125.6 | 149.9 | 178.2 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | N243 L272 F610 P654 L658 | N243-V656 WeakPolarHBondContact OD1-CG1 3.34Å; L272-V656 HydrophobicContact CD1-CG1 3.77Å; L272-V656 HydrophobicContact CD2-CG1 3.94Å; L272-V656 HydrophobicContact CD2-CG2 4.3Å; F610-V656 HydrophobicContact CD1-CG2 4.06Å; F610-V656 HydrophobicContact CE1-CG2 3.34Å; F610-V656 HydrophobicContact CZ-CG2 3.85Å; P654-V656 HydrophobicContact CG-CG2 4.1Å; V656-L658 PolarHBondContact O-N 3.39Å; V656-L658 VanDerWaalsContact O-N 3.16Å |
| 657 | P | 89.4 | Confident | 90.3 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | trans | -56.9 | 120.7 | -178.7 | -24.5 | 34.9 | 0 | 0 | 0 | 111.7 | C244 M648 L650 M660 | C244-P657 WeakPolarHBondContact O-CD 3.26Å; M648-P657 HydrophobicContact CG-CB 4.07Å; M648-P657 HydrophobicContact SD-CB 3.78Å; M648-P657 HydrophobicContact SD-CG 3.65Å; L650-P657 HydrophobicContact CD1-CG 4.38Å; P657-M660 HydrophobicContact CB-SD 3.84Å | ||
| 658 | L | 92.3 | Very high | 90 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -93.7 | -42.3 | 177.4 | -178.1 | 57.9 | 0 | 0 | 0 | 110.8 | R242 A609 F610 I649 P651 V656 V672 F675 L676 | R242-L658 PolarHBondContact NH2-O 3.17Å; A609-L658 HydrophobicContact CB-CD1 4.45Å; F610-L658 HydrophobicContact CD1-CD1 3.81Å; F610-L658 HydrophobicContact CD2-CD1 4.38Å; F610-L658 HydrophobicContact CE1-CB 4.05Å; F610-L658 HydrophobicContact CE1-CD1 3.58Å; F610-L658 HydrophobicContact CE1-CG 4.36Å; F610-L658 HydrophobicContact CE2-CD1 4.18Å; F610-L658 HydrophobicContact CG-CD1 4.2Å; F610-L658 HydrophobicContact CZ-CB 4.14Å; F610-L658 HydrophobicContact CZ-CD1 3.79Å; F610-L658 HydrophobicContact CZ-CD2 4.49Å; F610-L658 HydrophobicContact CZ-CG 4.36Å; I649-L658 PolarHBondContact O-N 3.38Å; P651-L658 HydrophobicContact CG-CB 4.21Å; P651-L658 HydrophobicContact CG-CD2 3.93Å; V656-L658 PolarHBondContact O-N 3.39Å; V656-L658 VanDerWaalsContact O-N 3.16Å; L658-V672 HydrophobicContact CD1-CG1 4.12Å; L658-V672 HydrophobicContact CD1-CG2 4.22Å; L658-V672 HydrophobicContact CD2-CG1 3.74Å; L658-V672 HydrophobicContact CG-CG1 3.67Å; L658-F675 HydrophobicContact CD2-CD1 3.82Å; L658-F675 HydrophobicContact CD2-CE1 4.28Å; L658-L676 HydrophobicContact CD2-CD1 4.42Å; L658-L676 HydrophobicContact CD2-CD2 3.98Å; L658-L676 HydrophobicContact CD2-CG 4.06Å |
| 659 | L | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -129 | 130.5 | 176.4 | -171.6 | 64.1 | 0 | 0 | 0 | 109.8 | P614 L640 M648 I649 E663 L665 | P614-L659 HydrophobicContact CB-CD1 3.41Å; P614-L659 VanDerWaalsContact CB-CD1 3.41Å; P614-L659 HydrophobicContact CG-CD1 3.42Å; P614-L659 VanDerWaalsContact CG-CD1 3.42Å; L640-L659 HydrophobicContact CD1-CD2 4.44Å; L640-L659 HydrophobicContact CD2-CD2 4.01Å; M648-L659 CarbonylContact C-O 3.57Å; M648-L659 VanDerWaalsContact CA-O 3.26Å; M648-L659 WeakPolarHBondContact CA-O 3.23Å; I649-L659 HydrophobicContact CB-CB 3.98Å; I649-L659 HydrophobicContact CD1-CB 4.36Å; I649-L659 HydrophobicContact CD1-CD2 3.69Å; I649-L659 HydrophobicContact CG1-CB 4.21Å; I649-L659 HydrophobicContact CG1-CD2 4.24Å; I649-L659 PolarHBondContact N-O 3.43Å; I649-L659 PolarHBondContact O-N 2.97Å; L659-E663 HydrophobicContact CD1-CB 3.47Å; L659-E663 VanDerWaalsContact CD1-CB 3.47Å; L659-E663 HydrophobicContact CG-CB 4.37Å; L659-L665 HydrophobicContact CD1-CD2 3.84Å; L659-L665 HydrophobicContact CD1-CG 4.42Å; L659-L665 HydrophobicContact CD2-CD2 4.43Å; L659-L665 HydrophobicContact CD2-CG 4.32Å |
| 660 | M | 96.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | trans | -94.8 | 156.3 | 177.2 | -64 | -69.5 | -69.2 | 0 | 0 | 111.3 | A249 L252 W261 P620 M648 P657 G662 E663 | A249-M660 HydrophobicContact CB-CE 3.5Å; A249-M660 VanDerWaalsContact CB-CE 3.5Å; A249-M660 HydrophobicContact CB-SD 4.11Å; L252-M660 HydrophobicContact CD1-CE 3.97Å; W261-M660 HydrophobicContact CH2-CE 3.84Å; W261-M660 HydrophobicContact CH2-CG 3.98Å; W261-M660 HydrophobicContact CH2-SD 4.26Å; W261-M660 HydrophobicContact CZ2-CE 4.38Å; W261-M660 HydrophobicContact CZ2-CG 3.91Å; P620-M660 HydrophobicContact CG-CE 4.33Å; M648-M660 HydrophobicContact CG-SD 4.3Å; M648-M660 HydrophobicContact SD-SD 4.35Å; P657-M660 HydrophobicContact CB-SD 3.84Å; M660-G662 PolarHBondContact O-N 3.37Å; M660-E663 HydrophobicContact CB-CG 4.12Å; M660-E663 PolarHBondContact N-OE2 2.99Å; M660-E663 WeakPolarHBondContact O-CB 3.41Å; M660-E663 PolarHBondContact O-N 2.9Å | ||
| 661 | P | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 134.6 | 165.9 | -22.5 | 33 | 0 | 0 | 0 | 110.7 | M253 P620 A623 E663 | M253-P661 HydrophobicContact CG-CG 4.25Å; M253-P661 HydrophobicContact SD-CG 4.03Å; P620-P661 WeakPolarHBondContact CA-O 3.47Å; P620-P661 HydrophobicContact CB-CB 4.32Å; A623-P661 HydrophobicContact CB-CB 3.95Å; P661-E663 VanDerWaalsContact C-N 3.33Å |
| 662 | G | 97.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -7.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | I617 M618 A623 S645 M660 | I617-G662 PolarHBondContact N-O 2.9Å; M618-G662 PolarHBondContact N-O 3.46Å; A623-G662 VanDerWaalsContact CB-CA 3.5Å; S645-G662 PolarHBondContact O-N 2.91Å; M660-G662 PolarHBondContact O-N 3.37Å |
| 663 | E | 97.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 152.1 | 174 | -70.8 | 176.6 | 173 | 0 | 0 | 112.6 | R242 P614 E615 M616 V644 S645 L659 M660 P661 | R242-E663 IonicContact CZ-OE1 3.4Å; R242-E663 IonicContact CZ-OE2 2.76Å; R242-E663 IonicContact NH1-OE1 3.61Å; R242-E663 PolarHBondContact NH1-OE1 3.39Å; R242-E663 IonicContact NH1-OE2 3.06Å; R242-E663 VanDerWaalsContact NH2-CD 3.32Å; R242-E663 IonicContact NH2-OE1 2.77Å; R242-E663 PolarHBondContact NH2-OE1 3.49Å; R242-E663 VanDerWaalsContact NH2-OE1 3.08Å; R242-E663 IonicContact NH2-OE2 2.71Å; R242-E663 PolarHBondContact NH2-OE2 3.31Å; P614-E663 HydrophobicContact CB-CB 3.82Å; P614-E663 HydrophobicContact CB-CG 4.28Å; E615-E663 CarbonylContact O-C 3.57Å; E615-E663 VanDerWaalsContact O-CA 3.25Å; E615-E663 WeakPolarHBondContact O-CA 3.48Å; M616-E663 HydrophobicContact CB-CG 4.3Å; V644-E663 WeakPolarHBondContact CA-O 3.27Å; S645-E663 PolarHBondContact N-O 3.47Å; L659-E663 HydrophobicContact CD1-CB 3.47Å; L659-E663 VanDerWaalsContact CD1-CB 3.47Å; L659-E663 HydrophobicContact CG-CB 4.37Å; M660-E663 HydrophobicContact CB-CG 4.12Å; M660-E663 PolarHBondContact N-OE2 2.99Å; M660-E663 WeakPolarHBondContact O-CB 3.41Å; M660-E663 PolarHBondContact O-N 2.9Å; P661-E663 VanDerWaalsContact C-N 3.33Å |
| 664 | M | 97.3 | Very high | 91.3 | Very high | 37 Ų | 37 | 30.6 Ų | 30.6 | 18% | 0.182 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.5 | 177.7 | -179 | 173.4 | 75.9 | 0 | 0 | 110.3 | E615 I617 G642 V644 T666 | E615-M664 PolarHBondContact N-O 2.83Å; E615-M664 PolarHBondContact O-N 2.96Å; I617-M664 HydrophobicContact CD1-CB 4.35Å; I617-M664 HydrophobicContact CD1-CE 3.8Å; I617-M664 HydrophobicContact CG1-CB 3.63Å; I617-M664 HydrophobicContact CG1-CE 4.23Å; I617-M664 HydrophobicContact CG1-SD 4.35Å; G642-M664 VanDerWaalsContact C-SD 3.53Å; V644-M664 HydrophobicContact CG2-CB 4.35Å; M664-T666 HydrophobicContact CE-CG2 4.16Å |
| 665 | L | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 125.2 | 168.8 | -60.6 | -172.5 | 0 | 0 | 0 | 110 | P614 L640 V641 G642 L659 S669 V672 L673 | P614-L665 HydrophobicContact CB-CD2 4.03Å; P614-L665 HydrophobicContact CG-CD2 3.79Å; L640-L665 HydrophobicContact CB-CD1 4.4Å; L640-L665 HydrophobicContact CD2-CD1 3.62Å; L640-L665 HydrophobicContact CD2-CG 4.35Å; L640-L665 HydrophobicContact CG-CD1 3.79Å; L640-L665 HydrophobicContact CG-CG 4.24Å; V641-L665 HydrophobicContact CG2-CB 4.42Å; G642-L665 PolarHBondContact N-O 3.47Å; L659-L665 HydrophobicContact CD1-CD2 3.84Å; L659-L665 HydrophobicContact CD1-CG 4.42Å; L659-L665 HydrophobicContact CD2-CD2 4.43Å; L659-L665 HydrophobicContact CD2-CG 4.32Å; L665-S669 VanDerWaalsContact CA-OG 3.31Å; L665-S669 WeakPolarHBondContact CA-OG 3.35Å; L665-V672 HydrophobicContact CD1-CB 4.22Å; L665-V672 HydrophobicContact CD1-CG1 3.94Å; L665-V672 HydrophobicContact CD2-CB 3.78Å; L665-V672 HydrophobicContact CD2-CG1 3.63Å; L665-V672 HydrophobicContact CD2-CG2 4.18Å; L665-V672 HydrophobicContact CG-CG1 4.46Å; L665-L673 HydrophobicContact CD1-CB 3.97Å |
| 666 | T | 94.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 14% | 0.141 | 13% | 0.134 | C | C | . | . | trans | -101.4 | -172.6 | 176 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | E615 M664 E668 S669 R670 | E615-T666 HydrophobicContact CB-CG2 3.82Å; E615-T666 WeakPolarHBondContact OE2-CG2 3.22Å; M664-T666 HydrophobicContact CE-CG2 4.16Å; T666-E668 VanDerWaalsContact C-N 3.27Å; T666-E668 WeakPolarHBondContact CB-OE2 3.32Å; T666-E668 PolarHBondContact OG1-N 3.24Å; T666-E668 PolarHBondContact OG1-OE2 3.18Å; T666-S669 PolarHBondContact N-OG 3.41Å; T666-S669 PolarHBondContact OG1-N 3.48Å; T666-R670 PolarHBondContact O-N 2.8Å | ||
| 667 | K | 92.3 | Very high | 93.5 | Very high | 176 Ų | 176 | 30.8 Ų | 30.8 | 77% | 0.765 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -66.8 | -35.1 | 172.7 | -70.9 | -177.6 | 179.8 | 176.7 | 0 | 111.2 | R670 | K667-R670 WeakPolarHBondContact O-CB 3.5Å; K667-R670 PolarHBondContact O-N 2.99Å |
| 668 | E | 90.8 | Very high | 93.3 | Very high | 142 Ų | 142 | 31 Ų | 31 | 66% | 0.664 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -36.4 | -179.6 | -60.4 | 68.4 | -147 | 0 | 0 | 111 | T666 | T666-E668 VanDerWaalsContact C-N 3.27Å; T666-E668 WeakPolarHBondContact CB-OE2 3.32Å; T666-E668 PolarHBondContact OG1-N 3.24Å; T666-E668 PolarHBondContact OG1-OE2 3.18Å |
| 669 | S | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 20.1 | 177.3 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | L665 T666 T671 V672 | L665-S669 VanDerWaalsContact CA-OG 3.31Å; L665-S669 WeakPolarHBondContact CA-OG 3.35Å; T666-S669 PolarHBondContact N-OG 3.41Å; T666-S669 PolarHBondContact OG1-N 3.48Å; S669-T671 PolarHBondContact O-N 3Å; S669-V672 VanDerWaalsContact O-CB 3.3Å; S669-V672 WeakPolarHBondContact O-CB 3.39Å; S669-V672 WeakPolarHBondContact O-CG2 3.42Å; S669-V672 PolarHBondContact O-N 2.97Å; S669-V672 VanDerWaalsContact O-N 3.15Å |
| 670 | R | 92.6 | Very high | 92.6 | Very high | 131 Ų | 131 | 31.6 Ų | 31.6 | 49% | 0.494 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.3 | -26.8 | -179.1 | -176.4 | 175.1 | -174.3 | -77.9 | -2.3 | 113.1 | T666 K667 V672 L673 D674 | T666-R670 PolarHBondContact O-N 2.8Å; K667-R670 WeakPolarHBondContact O-CB 3.5Å; K667-R670 PolarHBondContact O-N 2.99Å; R670-V672 PolarHBondContact O-N 3.01Å; R670-L673 WeakPolarHBondContact O-CB 3.37Å; R670-L673 PolarHBondContact O-N 3.37Å; R670-D674 IonicContact CZ-OD1 3.35Å; R670-D674 IonicContact NH1-OD1 3.35Å; R670-D674 PolarHBondContact NH1-OD1 3.36Å; R670-D674 IonicContact NH1-OD2 3.56Å; R670-D674 PolarHBondContact NH1-OD2 3.36Å; R670-D674 IonicContact NH2-OD1 3.73Å; R670-D674 PolarHBondContact O-N 3.31Å |
| 671 | T | 91.7 | Very high | 91.9 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 18% | 0.184 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -30.2 | 175.8 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | R608 S669 D674 F675 | R608-T671 HydrophobicContact CB-CG2 4.1Å; R608-T671 PolarHBondContact O-OG1 3.02Å; R608-T671 VanDerWaalsContact O-OG1 3.13Å; S669-T671 PolarHBondContact O-N 3Å; T671-D674 PolarHBondContact O-N 3.41Å; T671-F675 WeakPolarHBondContact O-CB 3.43Å; T671-F675 PolarHBondContact O-N 3.03Å |
| 672 | V | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 172.8 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | A609 L658 L665 S669 R670 F675 L676 | A609-V672 WeakPolarHBondContact O-CG2 3.28Å; L658-V672 HydrophobicContact CD1-CG1 4.12Å; L658-V672 HydrophobicContact CD1-CG2 4.22Å; L658-V672 HydrophobicContact CD2-CG1 3.74Å; L658-V672 HydrophobicContact CG-CG1 3.67Å; L665-V672 HydrophobicContact CD1-CB 4.22Å; L665-V672 HydrophobicContact CD1-CG1 3.94Å; L665-V672 HydrophobicContact CD2-CB 3.78Å; L665-V672 HydrophobicContact CD2-CG1 3.63Å; L665-V672 HydrophobicContact CD2-CG2 4.18Å; L665-V672 HydrophobicContact CG-CG1 4.46Å; S669-V672 VanDerWaalsContact O-CB 3.3Å; S669-V672 WeakPolarHBondContact O-CB 3.39Å; S669-V672 WeakPolarHBondContact O-CG2 3.42Å; S669-V672 PolarHBondContact O-N 2.97Å; S669-V672 VanDerWaalsContact O-N 3.15Å; R670-V672 PolarHBondContact O-N 3.01Å; V672-F675 PolarHBondContact O-N 3.42Å; V672-L676 HydrophobicContact CG1-CD1 4.3Å; V672-L676 WeakPolarHBondContact O-CG 3.1Å; V672-L676 PolarHBondContact O-N 3.33Å; V672-L676 VanDerWaalsContact O-N 3.14Å |
| 673 | L | 93.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 177.7 | 176.9 | 60.4 | 0 | 0 | 0 | 111 | L637 L640 V641 L665 R670 F675 L676 L677 | L637-L673 HydrophobicContact CD1-CD1 4.14Å; L637-L673 HydrophobicContact CG-CD1 3.99Å; L637-L673 WeakPolarHBondContact O-CD1 3.41Å; L640-L673 HydrophobicContact CB-CD1 4.43Å; V641-L673 HydrophobicContact CG2-CD2 3.71Å; L665-L673 HydrophobicContact CD1-CB 3.97Å; R670-L673 WeakPolarHBondContact O-CB 3.37Å; R670-L673 PolarHBondContact O-N 3.37Å; L673-F675 PolarHBondContact O-N 3.07Å; L673-L676 PolarHBondContact O-N 3.35Å; L673-L676 VanDerWaalsContact O-N 3.15Å; L673-L677 HydrophobicContact CD1-CD1 3.95Å; L673-L677 HydrophobicContact CD1-CD2 4.21Å; L673-L677 HydrophobicContact CD1-CG 3.76Å; L673-L677 HydrophobicContact CD2-CD1 4.32Å; L673-L677 HydrophobicContact CG-CD1 3.81Å; L673-L677 HydrophobicContact CG-CG 4.09Å; L673-L677 WeakPolarHBondContact O-CG 3.43Å; L673-L677 PolarHBondContact O-N 3.2Å |
| 674 | D | 91.5 | Very high | 89.5 | Confident | 45 Ų | 45 | 40.3 Ų | 40.3 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -39.1 | 179 | -65.5 | -38.1 | 0 | 0 | 0 | 111.1 | L605 R670 T671 M678 | L605-D674 HydrophobicContact CD2-CB 4.26Å; R670-D674 IonicContact CZ-OD1 3.35Å; R670-D674 IonicContact NH1-OD1 3.35Å; R670-D674 PolarHBondContact NH1-OD1 3.36Å; R670-D674 IonicContact NH1-OD2 3.56Å; R670-D674 PolarHBondContact NH1-OD2 3.36Å; R670-D674 IonicContact NH2-OD1 3.73Å; R670-D674 PolarHBondContact O-N 3.31Å; T671-D674 PolarHBondContact O-N 3.41Å; D674-M678 VanDerWaalsContact O-CB 3.23Å; D674-M678 WeakPolarHBondContact O-CB 3.46Å; D674-M678 PolarHBondContact O-N 3.15Å |
| 675 | F | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -46.7 | 173.6 | 175.1 | -114 | 0 | 0 | 0 | 112.8 | L605 M606 A609 F610 P651 L658 T671 V672 L673 M678 L679 | L605-F675 HydrophobicContact CB-CD2 4.4Å; M606-F675 HydrophobicContact CB-CD2 4.13Å; M606-F675 HydrophobicContact CB-CE2 3.7Å; M606-F675 HydrophobicContact CB-CZ 4.27Å; M606-F675 HydrophobicContact CG-CE2 4.06Å; M606-F675 HydrophobicContact CG-CZ 4.12Å; A609-F675 HydrophobicContact CB-CB 3.66Å; A609-F675 HydrophobicContact CB-CD1 4.14Å; A609-F675 HydrophobicContact CB-CG 3.98Å; F610-F675 HydrophobicContact CE2-CE1 4.09Å; P651-F675 HydrophobicContact CB-CE1 4.18Å; P651-F675 HydrophobicContact CG-CE1 3.77Å; L658-F675 HydrophobicContact CD2-CD1 3.82Å; L658-F675 HydrophobicContact CD2-CE1 4.28Å; T671-F675 WeakPolarHBondContact O-CB 3.43Å; T671-F675 PolarHBondContact O-N 3.03Å; V672-F675 PolarHBondContact O-N 3.42Å; L673-F675 PolarHBondContact O-N 3.07Å; F675-M678 HydrophobicContact CD2-CE 3.64Å; F675-M678 HydrophobicContact CE2-CE 3.8Å; F675-M678 PolarHBondContact O-N 2.93Å; F675-L679 HydrophobicContact CD1-CD1 4.23Å; F675-L679 HydrophobicContact CD2-CG 4.42Å; F675-L679 HydrophobicContact CE1-CD1 3.63Å; F675-L679 HydrophobicContact CE1-CG 4.36Å; F675-L679 HydrophobicContact CE2-CD1 4.12Å; F675-L679 HydrophobicContact CE2-CD2 4.22Å; F675-L679 HydrophobicContact CE2-CG 4.02Å; F675-L679 HydrophobicContact CZ-CD1 3.57Å; F675-L679 HydrophobicContact CZ-CD2 4.28Å; F675-L679 HydrophobicContact CZ-CG 3.99Å; F675-L679 WeakPolarHBondContact O-CG 3.37Å; F675-L679 PolarHBondContact O-N 3.42Å |
| 676 | L | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.6 | -67.4 | 169.8 | 0 | 0 | 0 | 112 | L637 I649 P651 L658 V672 L673 M678 L679 C680 I693 | L637-L676 HydrophobicContact CD1-CB 4.47Å; L637-L676 HydrophobicContact CD1-CD1 4.16Å; L637-L676 HydrophobicContact CD2-CB 4.09Å; I649-L676 HydrophobicContact CG2-CD1 4.06Å; I649-L676 HydrophobicContact CG2-CD2 3.91Å; P651-L676 HydrophobicContact CB-CD2 4.1Å; P651-L676 HydrophobicContact CG-CD2 4.22Å; L658-L676 HydrophobicContact CD2-CD1 4.42Å; L658-L676 HydrophobicContact CD2-CD2 3.98Å; L658-L676 HydrophobicContact CD2-CG 4.06Å; V672-L676 HydrophobicContact CG1-CD1 4.3Å; V672-L676 WeakPolarHBondContact O-CG 3.1Å; V672-L676 PolarHBondContact O-N 3.33Å; V672-L676 VanDerWaalsContact O-N 3.14Å; L673-L676 PolarHBondContact O-N 3.35Å; L673-L676 VanDerWaalsContact O-N 3.15Å; L676-M678 VanDerWaalsContact C-N 3.33Å; L676-M678 PolarHBondContact O-N 2.69Å; L676-L679 WeakPolarHBondContact O-CB 3.39Å; L676-L679 PolarHBondContact O-N 2.75Å; L676-C680 PolarHBondContact O-N 2.83Å; L676-C680 PolarHBondContact O-SG 2.81Å; L676-I693 HydrophobicContact CD2-CD1 3.96Å; L676-I693 HydrophobicContact CD2-CG2 4.04Å |
| 677 | L | 90.4 | Very high | 88.5 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -37.7 | 177.4 | -67.5 | 176.8 | 0 | 0 | 0 | 112 | L637 E638 L673 C680 S681 | L637-L677 HydrophobicContact CB-CD2 4.43Å; L637-L677 HydrophobicContact CD2-CD2 3.97Å; L637-L677 HydrophobicContact CG-CD2 4Å; E638-L677 HydrophobicContact CG-CD1 4.34Å; E638-L677 HydrophobicContact CG-CD2 3.73Å; L673-L677 HydrophobicContact CD1-CD1 3.95Å; L673-L677 HydrophobicContact CD1-CD2 4.21Å; L673-L677 HydrophobicContact CD1-CG 3.76Å; L673-L677 HydrophobicContact CD2-CD1 4.32Å; L673-L677 HydrophobicContact CG-CD1 3.81Å; L673-L677 HydrophobicContact CG-CG 4.09Å; L673-L677 WeakPolarHBondContact O-CG 3.43Å; L673-L677 PolarHBondContact O-N 3.2Å; L677-C680 PolarHBondContact O-N 2.85Å; L677-S681 WeakPolarHBondContact O-CB 3.44Å; L677-S681 PolarHBondContact O-N 3.06Å |
| 678 | M | 86.3 | Confident | 88.4 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.034 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 174.1 | 177.7 | -73.7 | -59.5 | 0 | 0 | 110.9 | H600 L602 L605 D674 F675 L676 C680 S681 V682 | H600-M678 HydrophobicContact CB-CG 3.51Å; H600-M678 HydrophobicContact CB-SD 4.24Å; L602-M678 HydrophobicContact CB-CE 3.82Å; L602-M678 HydrophobicContact CB-SD 4.02Å; L602-M678 HydrophobicContact CD1-CE 3.58Å; L602-M678 HydrophobicContact CD1-SD 3.72Å; L602-M678 HydrophobicContact CG-CE 3.4Å; L602-M678 VanDerWaalsContact CG-CE 3.4Å; L602-M678 HydrophobicContact CG-SD 4.01Å; L605-M678 HydrophobicContact CD1-CB 4.04Å; L605-M678 HydrophobicContact CD1-CG 3.98Å; D674-M678 VanDerWaalsContact O-CB 3.23Å; D674-M678 WeakPolarHBondContact O-CB 3.46Å; D674-M678 PolarHBondContact O-N 3.15Å; F675-M678 HydrophobicContact CD2-CE 3.64Å; F675-M678 HydrophobicContact CE2-CE 3.8Å; F675-M678 PolarHBondContact O-N 2.93Å; L676-M678 VanDerWaalsContact C-N 3.33Å; L676-M678 PolarHBondContact O-N 2.69Å; M678-C680 VanDerWaalsContact C-N 3.34Å; M678-C680 PolarHBondContact O-N 2.8Å; M678-S681 WeakPolarHBondContact O-CB 3.17Å; M678-S681 PolarHBondContact O-N 2.97Å; M678-S681 VanDerWaalsContact O-N 3.09Å; M678-V682 WeakPolarHBondContact O-CG2 3.49Å; M678-V682 PolarHBondContact O-N 2.63Å; M678-V682 HydrophobicContact SD-CG2 3.71Å |
| 679 | L | 86.2 | Confident | 88.2 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.2 | -47.1 | 176.3 | -77.9 | -175.9 | 0 | 0 | 0 | 111.3 | L602 P651 F675 L676 S681 V682 G683 T691 I693 | L602-L679 HydrophobicContact CD1-CD2 4.46Å; P651-L679 HydrophobicContact CB-CD1 3.56Å; F675-L679 HydrophobicContact CD1-CD1 4.23Å; F675-L679 HydrophobicContact CD2-CG 4.42Å; F675-L679 HydrophobicContact CE1-CD1 3.63Å; F675-L679 HydrophobicContact CE1-CG 4.36Å; F675-L679 HydrophobicContact CE2-CD1 4.12Å; F675-L679 HydrophobicContact CE2-CD2 4.22Å; F675-L679 HydrophobicContact CE2-CG 4.02Å; F675-L679 HydrophobicContact CZ-CD1 3.57Å; F675-L679 HydrophobicContact CZ-CD2 4.28Å; F675-L679 HydrophobicContact CZ-CG 3.99Å; F675-L679 WeakPolarHBondContact O-CG 3.37Å; F675-L679 PolarHBondContact O-N 3.42Å; L676-L679 WeakPolarHBondContact O-CB 3.39Å; L676-L679 PolarHBondContact O-N 2.75Å; L679-S681 VanDerWaalsContact C-N 3.31Å; L679-S681 PolarHBondContact O-N 3.4Å; L679-V682 PolarHBondContact O-N 3.27Å; L679-G683 PolarHBondContact O-N 3.01Å; L679-G683 VanDerWaalsContact O-N 3.16Å; L679-T691 VanDerWaalsContact C-CG2 3.43Å; L679-T691 VanDerWaalsContact C-OG1 3.3Å; L679-T691 HydrophobicContact CB-CG2 3.47Å; L679-T691 VanDerWaalsContact CB-CG2 3.47Å; L679-T691 HydrophobicContact CG-CG2 4.47Å; L679-T691 WeakPolarHBondContact O-CG2 3.39Å; L679-T691 PolarHBondContact O-OG1 2.9Å; L679-I693 HydrophobicContact CB-CD1 4.27Å; L679-I693 HydrophobicContact CD1-CD1 4.49Å |
| 680 | C | 86 | Confident | 87.8 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.054 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -40.7 | 174.3 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | L676 L677 M678 Q684 T691 Y704 | L676-C680 PolarHBondContact O-N 2.83Å; L676-C680 PolarHBondContact O-SG 2.81Å; L677-C680 PolarHBondContact O-N 2.85Å; M678-C680 VanDerWaalsContact C-N 3.34Å; M678-C680 PolarHBondContact O-N 2.8Å; C680-Q684 WeakPolarHBondContact O-CG 3.49Å; C680-Q684 PolarHBondContact O-N 3.48Å; C680-T691 WeakPolarHBondContact CA-OG1 3.43Å; C680-Y704 HydrophobicContact CB-CD2 3.73Å; C680-Y704 HydrophobicContact CB-CE2 3.78Å; C680-Y704 HydrophobicContact CB-CG 4.39Å; C680-Y704 WeakPolarHBondContact SG-CD2 3.34Å |
| 681 | S | 81.6 | Confident | 87 | Confident | 34 Ų | 34 | 31 Ų | 31 | 24% | 0.238 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 178.8 | -171 | 0 | 0 | 0 | 0 | 112 | L677 M678 L679 G683 Q684 H685 | L677-S681 WeakPolarHBondContact O-CB 3.44Å; L677-S681 PolarHBondContact O-N 3.06Å; M678-S681 WeakPolarHBondContact O-CB 3.17Å; M678-S681 PolarHBondContact O-N 2.97Å; M678-S681 VanDerWaalsContact O-N 3.09Å; L679-S681 VanDerWaalsContact C-N 3.31Å; L679-S681 PolarHBondContact O-N 3.4Å; S681-G683 VanDerWaalsContact C-N 3.34Å; S681-G683 PolarHBondContact O-N 2.77Å; S681-Q684 PolarHBondContact O-N 3.43Å; S681-H685 PolarHBondContact O-CE1 3.19Å; S681-H685 PolarHBondContact O-ND1 2.81Å |
| 682 | V | 76.4 | Confident | 86.7 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 15% | 0.145 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | M678 L679 Q684 H685 | M678-V682 WeakPolarHBondContact O-CG2 3.49Å; M678-V682 PolarHBondContact O-N 2.63Å; M678-V682 HydrophobicContact SD-CG2 3.71Å; L679-V682 PolarHBondContact O-N 3.27Å; V682-Q684 PolarHBondContact O-N 2.85Å; V682-H685 PolarHBondContact O-N 2.83Å; V682-H685 VanDerWaalsContact O-N 3.17Å |
| 683 | G | 79.6 | Confident | 86.6 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -18.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L679 S681 F689 | L679-G683 PolarHBondContact O-N 3.01Å; L679-G683 VanDerWaalsContact O-N 3.16Å; S681-G683 VanDerWaalsContact C-N 3.34Å; S681-G683 PolarHBondContact O-N 2.77Å; G683-F689 WeakPolarHBondContact CA-O 3.31Å |
| 684 | Q | 83.4 | Confident | 86.6 | Confident | 119 Ų | 119 | 36.9 Ų | 36.9 | 56% | 0.556 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -17.6 | 176.1 | -73.2 | 173.3 | -7.3 | 0 | 0 | 113.9 | C680 S681 V682 G702 | C680-Q684 WeakPolarHBondContact O-CG 3.49Å; C680-Q684 PolarHBondContact O-N 3.48Å; S681-Q684 PolarHBondContact O-N 3.43Å; V682-Q684 PolarHBondContact O-N 2.85Å; Q684-G702 PolarHBondContact NE2-O 2.93Å |
| 685 | H | 87.1 | Confident | 86.7 | Confident | 79 Ų | 79 | 36.1 Ų | 36.1 | 37% | 0.366 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -27.7 | -172.1 | -74 | 79.1 | 0 | 0 | 0 | 114.1 | F580 L596 S681 V682 | F580-H685 WeakPolarHBondContact CZ-O 3.42Å; L596-H685 HydrophobicContact CD1-CB 3.58Å; S681-H685 PolarHBondContact O-CE1 3.19Å; S681-H685 PolarHBondContact O-ND1 2.81Å; V682-H685 PolarHBondContact O-N 2.83Å; V682-H685 VanDerWaalsContact O-N 3.17Å |
| 686 | Y | 89.9 | Confident | 86.8 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -135.9 | 106.5 | -172.7 | -67.5 | -75.8 | 0 | 0 | 0 | 110.4 | F580 L589 G592 I593 L596 G688 F689 | F580-Y686 AromaticContact CE1-CD1 3.88Å; F580-Y686 HydrophobicContact CE1-CD1 3.88Å; F580-Y686 HydrophobicContact CE1-CE1 4.43Å; F580-Y686 AromaticContact CZ-CD1 3.94Å; F580-Y686 HydrophobicContact CZ-CD1 3.94Å; F580-Y686 HydrophobicContact CZ-CE1 4.28Å; L589-Y686 HydrophobicContact CD1-CD1 3.38Å; L589-Y686 HydrophobicContact CD1-CE1 3.65Å; L589-Y686 HydrophobicContact CD1-CG 4.12Å; G592-Y686 WeakPolarHBondContact CA-OH 3.41Å; I593-Y686 HydrophobicContact CB-CE2 4.5Å; I593-Y686 HydrophobicContact CG1-CD2 3.59Å; I593-Y686 HydrophobicContact CG1-CE2 3.71Å; I593-Y686 HydrophobicContact CG1-CG 4.02Å; L596-Y686 HydrophobicContact CD1-CD2 3.98Å; L596-Y686 HydrophobicContact CD1-CE2 3.53Å; L596-Y686 HydrophobicContact CG-CE2 4.39Å; Y686-G688 PolarHBondContact O-N 3.35Å; Y686-F689 WeakPolarHBondContact O-CB 3.15Å; Y686-F689 PolarHBondContact O-N 3.22Å |
| 687 | P | 90.1 | Very high | 86.7 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 20% | 0.201 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 135.6 | 177.5 | -25.6 | 34.5 | 0 | 0 | 0 | 112.1 | L573 D577 F580 Y581 | L573-P687 VanDerWaalsContact CD1-O 3.31Å; L573-P687 WeakPolarHBondContact CD1-O 3.32Å; D577-P687 HydrophobicContact CB-CB 3.94Å; D577-P687 HydrophobicContact CB-CG 3.99Å; F580-P687 HydrophobicContact CD1-CG 4.29Å; F580-P687 HydrophobicContact CG-CG 4.24Å; Y581-P687 HydrophobicContact CE2-CB 4.23Å; Y581-P687 WeakPolarHBondContact CE2-O 3.43Å; Y581-P687 PolarHBondContact OH-O 3.14Å |
| 688 | G | 89.5 | Confident | 86.6 | Confident | 9 Ų | 9 | 47 Ų | 47 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -1.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K516 Y686 E690 | K516-G688 WeakPolarHBondContact CE-O 3.28Å; K516-G688 PolarHBondContact NZ-O 2.89Å; Y686-G688 PolarHBondContact O-N 3.35Å; G688-E690 WeakPolarHBondContact CA-OE2 3.31Å; G688-E690 VanDerWaalsContact N-CD 3.28Å; G688-E690 PolarHBondContact N-OE1 2.93Å; G688-E690 PolarHBondContact N-OE2 3.43Å; G688-E690 VanDerWaalsContact N-OE2 3.12Å |
| 689 | F | 88.4 | Confident | 86.7 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | trans | -117.3 | 30.5 | 172 | -61.2 | -92.6 | 0 | 0 | 0 | 111.4 | A512 L513 K516 L573 L589 I593 G683 Y686 | A512-F689 HydrophobicContact CB-CD1 3.93Å; A512-F689 HydrophobicContact CB-CE1 3.81Å; L513-F689 HydrophobicContact CD2-CE1 4.1Å; L513-F689 HydrophobicContact CD2-CE2 4.48Å; L513-F689 HydrophobicContact CD2-CZ 3.51Å; L513-F689 HydrophobicContact CG-CE1 4.3Å; L513-F689 HydrophobicContact CG-CZ 4.2Å; K516-F689 HydrophobicContact CD-CE1 4.08Å; K516-F689 HydrophobicContact CD-CE2 4.48Å; K516-F689 HydrophobicContact CD-CZ 3.84Å; L573-F689 HydrophobicContact CD1-CD2 4.42Å; L573-F689 HydrophobicContact CD1-CE2 3.85Å; L573-F689 HydrophobicContact CD2-CE2 3.8Å; L573-F689 HydrophobicContact CD2-CZ 4.04Å; L573-F689 HydrophobicContact CG-CE2 4.49Å; L589-F689 HydrophobicContact CD1-CE2 4.5Å; L589-F689 HydrophobicContact CD2-CE2 4.29Å; L589-F689 HydrophobicContact CD2-CZ 4.42Å; I593-F689 HydrophobicContact CD1-CD1 4.1Å; I593-F689 HydrophobicContact CD1-CD2 4.26Å; I593-F689 HydrophobicContact CD1-CE1 3.91Å; I593-F689 HydrophobicContact CD1-CE2 4.07Å; I593-F689 HydrophobicContact CD1-CG 4.28Å; I593-F689 HydrophobicContact CD1-CZ 3.9Å; G683-F689 WeakPolarHBondContact CA-O 3.31Å; Y686-F689 WeakPolarHBondContact O-CB 3.15Å; Y686-F689 PolarHBondContact O-N 3.22Å | ||
| 690 | E | 82.8 | Confident | 86.7 | Confident | 106 Ų | 106 | 57.7 Ų | 57.7 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | trans | -57.9 | 151.1 | -179.6 | -64.3 | 75.1 | -164.8 | 0 | 0 | 111.6 | G688 D692 | G688-E690 WeakPolarHBondContact CA-OE2 3.31Å; G688-E690 VanDerWaalsContact N-CD 3.28Å; G688-E690 PolarHBondContact N-OE1 2.93Å; G688-E690 PolarHBondContact N-OE2 3.43Å; G688-E690 VanDerWaalsContact N-OE2 3.12Å; E690-D692 PolarHBondContact O-N 3.07Å | ||
| 691 | T | 77.7 | Confident | 86.6 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 12% | 0.117 | 33% | 0.325 | C | S | . | . | trans | -77.2 | 120.9 | -177.7 | -37.2 | 0 | 0 | 0 | 0 | 111.3 | L679 C680 I693 | L679-T691 VanDerWaalsContact C-CG2 3.43Å; L679-T691 VanDerWaalsContact C-OG1 3.3Å; L679-T691 HydrophobicContact CB-CG2 3.47Å; L679-T691 VanDerWaalsContact CB-CG2 3.47Å; L679-T691 HydrophobicContact CG-CG2 4.47Å; L679-T691 WeakPolarHBondContact O-CG2 3.39Å; L679-T691 PolarHBondContact O-OG1 2.9Å; C680-T691 WeakPolarHBondContact CA-OG1 3.43Å; T691-I693 HydrophobicContact CG2-CD1 3.71Å; T691-I693 HydrophobicContact CG2-CG1 3.65Å; T691-I693 PolarHBondContact O-N 3.37Å | ||
| 692 | D | 84.7 | Confident | 86.7 | Confident | 76 Ų | 76 | 63 Ų | 63 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 99.3 | 171.5 | -174.1 | 11.9 | 0 | 0 | 0 | 110.6 | Y652 E690 H694 | Y652-D692 HydrophobicContact CD2-CB 4.43Å; Y652-D692 PolarHBondContact N-O 3.37Å; E690-D692 PolarHBondContact O-N 3.07Å; D692-H694 IonicContact OD1-CD2 3.76Å; D692-H694 PolarHBondContact OD1-CD2 2.78Å; D692-H694 IonicContact OD1-NE2 2.62Å; D692-H694 IonicContact OD2-NE2 3.92Å |
| 693 | I | 91.1 | Very high | 87.3 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 98.8 | 174.3 | -54.7 | 173.7 | 0 | 0 | 0 | 108.7 | I649 P651 L676 L679 T691 G695 A696 | I649-I693 HydrophobicContact CG2-CG2 3.6Å; P651-I693 HydrophobicContact CB-CG1 4.19Å; L676-I693 HydrophobicContact CD2-CD1 3.96Å; L676-I693 HydrophobicContact CD2-CG2 4.04Å; L679-I693 HydrophobicContact CB-CD1 4.27Å; L679-I693 HydrophobicContact CD1-CD1 4.49Å; T691-I693 HydrophobicContact CG2-CD1 3.71Å; T691-I693 HydrophobicContact CG2-CG1 3.65Å; T691-I693 PolarHBondContact O-N 3.37Å; I693-G695 PolarHBondContact O-N 3.1Å; I693-A696 HydrophobicContact CB-CB 4.13Å; I693-A696 HydrophobicContact CG2-CB 3.9Å; I693-A696 PolarHBondContact O-N 2.95Å; I693-A696 VanDerWaalsContact O-N 3.11Å; I693-A696 VanDerWaalsContact O-O 3.14Å |
| 694 | H | 92.4 | Very high | 88 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 129.5 | 170.8 | -71.1 | -170.5 | 0 | 0 | 0 | 109.9 | I649 L650 Y652 D692 | I649-H694 WeakPolarHBondContact CA-O 3.38Å; L650-H694 HydrophobicContact CB-CB 4.16Å; L650-H694 PolarHBondContact N-O 2.92Å; L650-H694 PolarHBondContact O-N 3.43Å; Y652-H694 AromaticContact CE2-CE1 3.89Å; Y652-H694 AromaticContact CE2-NE2 3.98Å; D692-H694 IonicContact OD1-CD2 3.76Å; D692-H694 PolarHBondContact OD1-CD2 2.78Å; D692-H694 IonicContact OD1-NE2 2.62Å; D692-H694 IonicContact OD2-NE2 3.92Å |
| 695 | G | 93 | Very high | 88.5 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | -14.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I693 | I693-G695 PolarHBondContact O-N 3.1Š|
| 696 | A | 93.3 | Very high | 89 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 11% | 0.107 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 147.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I693 Y704 R705 V706 | I693-A696 HydrophobicContact CB-CB 4.13Å; I693-A696 HydrophobicContact CG2-CB 3.9Å; I693-A696 PolarHBondContact O-N 2.95Å; I693-A696 VanDerWaalsContact O-N 3.11Å; I693-A696 VanDerWaalsContact O-O 3.14Å; A696-Y704 HydrophobicContact CB-CD1 4.08Å; A696-R705 WeakPolarHBondContact CA-O 3.28Å; A696-V706 HydrophobicContact CB-CG1 3.85Å |
| 697 | K | 90.8 | Very high | 89.3 | Confident | 168 Ų | 168 | 63 Ų | 63 | 73% | 0.73 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 131.5 | 174.3 | -68.1 | -170.9 | 176.6 | -169.8 | 0 | 109.7 | R705 | K697-R705 PolarHBondContact N-O 2.62Å; K697-R705 PolarHBondContact O-N 3.16Å |
| 698 | Q | 88.9 | Confident | 89.7 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 134.1 | 170.6 | -161.3 | 174.7 | 27.6 | 0 | 0 | 109.6 | G702 V703 Y704 | Q698-G702 VanDerWaalsContact NE2-CA 3.34Å; Q698-G702 PolarHBondContact NE2-O 2.81Å; Q698-V703 WeakPolarHBondContact CA-O 3.41Å; Q698-Y704 HydrophobicContact CB-CD1 4.43Å; Q698-Y704 HydrophobicContact CB-CE1 4.24Å; Q698-Y704 HydrophobicContact CB-CE2 4.34Å; Q698-Y704 HydrophobicContact CG-CD2 4.31Å; Q698-Y704 HydrophobicContact CG-CE2 4.11Å |
| 699 | D | 87.9 | Confident | 90.1 | Very high | 39 Ų | 39 | 61.2 Ų | 61.2 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | trans | -89.2 | 179.5 | 170.6 | 66.4 | 14.1 | 0 | 0 | 0 | 111.9 | D701 G702 V703 R705 | D699-D701 PolarHBondContact O-N 3.04Å; D699-D701 PolarHBondContact OD1-N 2.93Å; D699-D701 VanDerWaalsContact OD1-N 3.11Å; D699-G702 PolarHBondContact O-N 2.98Å; D699-G702 PolarHBondContact OD1-N 3.25Å; D699-V703 PolarHBondContact N-O 3.12Å; D699-V703 WeakPolarHBondContact OD1-CB 3.46Å; D699-V703 PolarHBondContact OD1-N 3.17Å; D699-R705 IonicContact OD2-CZ 3.05Å; D699-R705 IonicContact OD2-NE 3.84Å; D699-R705 PolarHBondContact OD2-NE 2.91Å; D699-R705 IonicContact OD2-NH2 3.84Å; D699-R705 PolarHBondContact OD2-NH2 3.04Å | ||
| 700 | E | 85.7 | Confident | 90.4 | Very high | 203 Ų | 203 | 64.6 Ų | 64.6 | 95% | 0.949 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23 | 179.8 | -64.1 | 178.7 | -179.4 | 0 | 0 | 113.1 | G702 | E700-G702 VanDerWaalsContact C-N 3.27Š|
| 701 | D | 84.8 | Confident | 90.4 | Very high | 135 Ų | 135 | 65.2 Ų | 65.2 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -0.6 | 177.5 | -62.3 | -45.5 | 0 | 0 | 0 | 112.3 | D699 V703 | D699-D701 PolarHBondContact O-N 3.04Å; D699-D701 PolarHBondContact OD1-N 2.93Å; D699-D701 VanDerWaalsContact OD1-N 3.11Å; D701-V703 VanDerWaalsContact C-N 3.33Å; D701-V703 HydrophobicContact CB-CG2 4.36Å |
| 702 | G | 84 | Confident | 90 | Very high | 19 Ų | 19 | 69 Ų | 69 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 82.4 | 7.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q684 Q698 D699 E700 | Q684-G702 PolarHBondContact NE2-O 2.93Å; Q698-G702 VanDerWaalsContact NE2-CA 3.34Å; Q698-G702 PolarHBondContact NE2-O 2.81Å; D699-G702 PolarHBondContact O-N 2.98Å; D699-G702 PolarHBondContact OD1-N 3.25Å; E700-G702 VanDerWaalsContact C-N 3.27Å |
| 703 | V | 88.8 | Confident | 88.3 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 30% | 0.303 | 41% | 0.409 | S | S | . | . | trans | -89.1 | 130.3 | -178.6 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | A636 Q698 D699 D701 | A636-V703 HydrophobicContact CB-CG1 4.13Å; Q698-V703 WeakPolarHBondContact CA-O 3.41Å; D699-V703 PolarHBondContact N-O 3.12Å; D699-V703 WeakPolarHBondContact OD1-CB 3.46Å; D699-V703 PolarHBondContact OD1-N 3.17Å; D701-V703 VanDerWaalsContact C-N 3.33Å; D701-V703 HydrophobicContact CB-CG2 4.36Å | ||
| 704 | Y | 93.1 | Very high | 88.2 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 7% | 0.067 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 126.7 | 174.5 | -76.8 | -100.7 | 0 | 0 | 0 | 110.3 | L637 C680 A696 Q698 | L637-Y704 VanDerWaalsContact CB-O 3.26Å; L637-Y704 WeakPolarHBondContact CB-O 3.48Å; L637-Y704 PolarHBondContact N-O 3.07Å; C680-Y704 HydrophobicContact CB-CD2 3.73Å; C680-Y704 HydrophobicContact CB-CE2 3.78Å; C680-Y704 HydrophobicContact CB-CG 4.39Å; C680-Y704 WeakPolarHBondContact SG-CD2 3.34Å; A696-Y704 HydrophobicContact CB-CD1 4.08Å; Q698-Y704 HydrophobicContact CB-CD1 4.43Å; Q698-Y704 HydrophobicContact CB-CE1 4.24Å; Q698-Y704 HydrophobicContact CB-CE2 4.34Å; Q698-Y704 HydrophobicContact CG-CD2 4.31Å; Q698-Y704 HydrophobicContact CG-CE2 4.11Å |
| 705 | R | 95.3 | Very high | 88 | Confident | 106 Ų | 106 | 75.7 Ų | 75.7 | 40% | 0.4 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 145.9 | 178.6 | -60.6 | -164.5 | -174.8 | -159.6 | 4.7 | 112.3 | T634 I635 A696 K697 D699 | T634-R705 HydrophobicContact CG2-CB 3.63Å; T634-R705 HydrophobicContact CG2-CG 4.36Å; I635-R705 VanDerWaalsContact O-CA 3.23Å; I635-R705 WeakPolarHBondContact O-CA 3.38Å; I635-R705 WeakPolarHBondContact O-CB 3.47Å; A696-R705 WeakPolarHBondContact CA-O 3.28Å; K697-R705 PolarHBondContact N-O 2.62Å; K697-R705 PolarHBondContact O-N 3.16Å; D699-R705 IonicContact OD2-CZ 3.05Å; D699-R705 IonicContact OD2-NE 3.84Å; D699-R705 PolarHBondContact OD2-NE 2.91Å; D699-R705 IonicContact OD2-NH2 3.84Å; D699-R705 PolarHBondContact OD2-NH2 3.04Å |
| 706 | V | 96.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 153.5 | -179.3 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | T634 I635 L637 L640 I649 A696 V708 | T634-V706 WeakPolarHBondContact CA-O 3.39Å; I635-V706 HydrophobicContact CG1-CG2 3.94Å; I635-V706 PolarHBondContact N-O 3.11Å; I635-V706 PolarHBondContact O-N 3.35Å; L637-V706 HydrophobicContact CD1-CG1 3.83Å; L637-V706 HydrophobicContact CD1-CG2 4.5Å; L640-V706 HydrophobicContact CD1-CG2 3.99Å; I649-V706 HydrophobicContact CD1-CG1 4.1Å; A696-V706 HydrophobicContact CB-CG1 3.85Å; V706-V708 HydrophobicContact CG2-CG1 4.44Å |
| 707 | R | 96.8 | Very high | 87.4 | Confident | 92 Ų | 92 | 82.1 Ų | 82.1 | 35% | 0.347 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.4 | 176.4 | -69.8 | -177.9 | 70.6 | -173.6 | 3.1 | 110.5 | E633 A646 | E633-R707 WeakPolarHBondContact O-CA 3.36Å; A646-R707 HydrophobicContact CB-CB 4.3Å; A646-R707 WeakPolarHBondContact CB-O 3.28Å; A646-R707 PolarHBondContact N-O 3.43Å |
| 708 | V | 97.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 158.4 | 178.7 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | V632 E633 I635 L640 R643 V644 V706 | V632-V708 VanDerWaalsContact CA-O 3.27Å; V632-V708 WeakPolarHBondContact CA-O 3.13Å; E633-V708 HydrophobicContact CG-CG2 3.84Å; E633-V708 PolarHBondContact N-O 3.34Å; E633-V708 PolarHBondContact O-N 3.34Å; I635-V708 HydrophobicContact CD1-CB 4.38Å; I635-V708 HydrophobicContact CD1-CG1 3.66Å; I635-V708 HydrophobicContact CD1-CG2 3.83Å; I635-V708 HydrophobicContact CG1-CG1 3.96Å; I635-V708 HydrophobicContact CG1-CG2 3.9Å; I635-V708 HydrophobicContact CG2-CG2 3.87Å; L640-V708 HydrophobicContact CD1-CG1 3.81Å; R643-V708 HydrophobicContact CB-CB 4.17Å; R643-V708 HydrophobicContact CB-CG1 3.87Å; R643-V708 HydrophobicContact CB-CG2 4.48Å; R643-V708 VanDerWaalsContact NH2-CG2 3.33Å; V644-V708 CarbonylContact O-C 3.58Å; V644-V708 VanDerWaalsContact O-CA 3.27Å; V644-V708 WeakPolarHBondContact O-CA 3.16Å; V644-V708 WeakPolarHBondContact O-CB 3.49Å; V706-V708 HydrophobicContact CG2-CG1 4.44Å |
| 709 | L | 97.5 | Very high | 87.1 | Confident | 3 Ų | 3 | 75.7 Ų | 75.7 | 2% | 0.016 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 141.3 | 171.9 | -57.1 | -178.1 | 0 | 0 | 0 | 109.7 | M618 A623 R626 E631 V632 R643 V644 A646 M711 | M618-L709 HydrophobicContact CE-CD1 4.03Å; M618-L709 HydrophobicContact SD-CD1 3.55Å; M618-L709 VanDerWaalsContact SD-CD1 3.55Å; A623-L709 HydrophobicContact CB-CD1 4.31Å; R626-L709 HydrophobicContact CB-CD1 4.43Å; R626-L709 HydrophobicContact CB-CD2 3.94Å; E631-L709 WeakPolarHBondContact O-CA 3.41Å; V632-L709 HydrophobicContact CG1-CD2 3.85Å; R643-L709 PolarHBondContact NH2-O 2.96Å; V644-L709 HydrophobicContact CB-CB 4.35Å; V644-L709 HydrophobicContact CB-CD1 4.18Å; V644-L709 HydrophobicContact CB-CG 4.37Å; V644-L709 HydrophobicContact CG1-CD1 3.7Å; V644-L709 HydrophobicContact CG1-CG 4.21Å; V644-L709 PolarHBondContact O-N 3.26Å; A646-L709 HydrophobicContact CB-CD2 3.82Å; A646-L709 HydrophobicContact CB-CG 4.34Å; L709-M711 PolarHBondContact O-N 2.74Å |
| 710 | K | 95.9 | Very high | 87 | Confident | 101 Ų | 101 | 78.3 Ų | 78.3 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 135.8 | 170.3 | -72.9 | 178.1 | 178.8 | 169.7 | 0 | 109 | R626 E631 V632 E633 | R626-K710 PolarHBondContact NH2-O 2.93Å; E631-K710 PolarHBondContact O-N 3.29Å; V632-K710 VanDerWaalsContact O-CE 3.23Å; V632-K710 WeakPolarHBondContact O-CE 3.45Å; E633-K710 HydrophobicContact CB-CG 4.25Å; E633-K710 HydrophobicContact CG-CG 4.27Å |
| 711 | M | 83.5 | Confident | 87.1 | Confident | 119 Ų | 119 | 68.7 Ų | 68.7 | 59% | 0.586 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 138.2 | 170.2 | -59.2 | -60.9 | -77.4 | 0 | 0 | 108.1 | L709 G713 | L709-M711 PolarHBondContact O-N 2.74Å; M711-G713 PolarHBondContact O-N 3.31Å |
| 712 | A | 69.3 | Low | 87.3 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 81% | 0.81 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 121.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 713 | G | 49.1 | Very low | 87.6 | Confident | 151 Ų | 151 | 67.2 Ų | 67.2 | 100% | 1.557 | 41% | 0.412 | S | S | * | . | trans | -73.2 | 0 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M711 | M711-G713 PolarHBondContact O-N 3.31Š|
Retrieved 713 of 713 residues in 391.8 ms
(Link to these results)