| 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 | 91.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 23.5 Ų | 23.5 | 19% | 0.192 | 11% | 0.107 | C | C | . | . | 0 | 171 | 0 | -66.6 | -40.6 | -84.3 | 0 | 0 | 111 | G3 T69 V73 M77 G119 Y120 P121 | M1-G3 PolarHBondContact O-N 2.88Å; M1-T69 PolarHBondContact O-OG1 3.49Å; M1-V73 VanDerWaalsContact N-CG1 3.27Å; M1-M77 HydrophobicContact CE-CE 3.56Å; M1-M77 HydrophobicContact CE-SD 3.95Å; M1-M77 HydrophobicContact SD-CE 4.06Å; M1-G119 WeakPolarHBondContact CB-O 3.45Å; M1-G119 WeakPolarHBondContact CE-O 3.21Å; M1-Y120 HydrophobicContact CB-CE1 4.49Å; M1-Y120 HydrophobicContact CB-CE2 4.49Å; M1-Y120 HydrophobicContact CE-CD1 3.75Å; M1-Y120 HydrophobicContact CE-CE1 4.35Å; M1-Y120 HydrophobicContact CE-CG 4.25Å; M1-Y120 HydrophobicContact CG-CD1 3.59Å; M1-Y120 HydrophobicContact CG-CD2 4.32Å; M1-Y120 HydrophobicContact CG-CE1 3.34Å; M1-Y120 HydrophobicContact CG-CE2 4.09Å; M1-Y120 HydrophobicContact CG-CG 4.06Å; M1-Y120 HydrophobicContact SD-CD1 4.22Å; M1-Y120 HydrophobicContact SD-CE1 4.22Å; M1-P121 VanDerWaalsContact CE-CD 3.48Å | |||
| 2 | I | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | trans | -66.4 | 129.6 | -174.7 | -61.7 | 172.2 | 0 | 0 | 0 | 108.9 | A67 V78 F81 L116 G119 | I2-A67 HydrophobicContact CG2-CB 4.15Å; I2-V78 HydrophobicContact CD1-CG1 4.15Å; I2-V78 HydrophobicContact CD1-CG2 4.22Å; I2-V78 HydrophobicContact CG1-CG1 4.48Å; I2-V78 HydrophobicContact CG1-CG2 4.06Å; I2-F81 HydrophobicContact CD1-CD1 3.83Å; I2-F81 HydrophobicContact CD1-CE1 4.26Å; I2-F81 HydrophobicContact CD1-CG 4.49Å; I2-L116 HydrophobicContact CB-CD2 4.37Å; I2-L116 HydrophobicContact CD1-CD1 4.26Å; I2-L116 HydrophobicContact CD1-CD2 4.33Å; I2-L116 HydrophobicContact CG2-CD2 4.23Å; I2-G119 PolarHBondContact N-O 3.15Å; I2-G119 WeakPolarHBondContact O-CA 3.35Å | ||
| 3 | G | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -95.5 | -29.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 Y20 R21 I24 V68 | M1-G3 PolarHBondContact O-N 2.88Å; G3-Y20 PolarHBondContact O-N 2.98Å; G3-R21 PolarHBondContact O-N 3.11Å; G3-I24 VanDerWaalsContact C-CG1 3.46Å; G3-V68 WeakPolarHBondContact CA-O 3.39Å; G3-V68 PolarHBondContact N-O 3.4Å | ||
| 4 | G | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 153 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R18 A67 V68 | G4-R18 CarbonylContact C-O 3.6Å; G4-R18 WeakPolarHBondContact CA-O 3.43Å; G4-A67 CarbonylContact O-C 3.6Å; G4-A67 WeakPolarHBondContact O-CA 3.5Å; G4-V68 PolarHBondContact N-O 2.94Å; G4-V68 PolarHBondContact O-N 3.24Å |
| 5 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.8 | 178.9 | -168.2 | 138.1 | 0 | 0 | 0 | 109.8 | I7 R18 Y20 A66 F81 L82 M85 L112 | L5-I7 HydrophobicContact CD2-CG1 4.41Å; L5-R18 PolarHBondContact N-O 3.1Å; L5-R18 PolarHBondContact O-N 3.29Å; L5-Y20 HydrophobicContact CB-CE2 3.98Å; L5-A66 WeakPolarHBondContact CA-O 3.21Å; L5-F81 HydrophobicContact CD1-CD1 4.47Å; L5-F81 HydrophobicContact CD1-CE1 3.59Å; L5-F81 HydrophobicContact CD1-CZ 4.43Å; L5-L82 HydrophobicContact CD1-CD2 3.95Å; L5-M85 HydrophobicContact CD1-SD 3.81Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.75Å; L5-M85 HydrophobicContact CG-SD 4.41Å; L5-L112 HydrophobicContact CD2-CD1 4.23Å; L5-L112 HydrophobicContact CD2-CD2 3.98Å |
| 6 | F | 96.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.2 | -173.3 | -52 | -78.4 | 0 | 0 | 0 | 109.6 | Y8 I16 S17 V19 I24 V29 A66 V68 | F6-Y8 HydrophobicContact CB-CD2 4.22Å; F6-Y8 HydrophobicContact CB-CE2 3.34Å; F6-Y8 WeakPolarHBondContact CB-OH 3.03Å; F6-Y8 HydrophobicContact CG-CE2 4.35Å; F6-I16 VanDerWaalsContact CA-O 3.31Å; F6-I16 WeakPolarHBondContact CA-O 3.31Å; F6-S17 WeakPolarHBondContact CE1-OG 3.27Å; F6-V19 HydrophobicContact CE1-CG2 4.18Å; F6-V19 HydrophobicContact CZ-CG2 4.13Å; F6-I24 HydrophobicContact CE2-CG2 4.11Å; F6-I24 HydrophobicContact CZ-CG2 3.86Å; F6-V29 HydrophobicContact CD1-CG2 3.7Å; F6-V29 HydrophobicContact CE1-CG2 3.34Å; F6-V29 HydrophobicContact CE2-CG2 4.29Å; F6-V29 HydrophobicContact CG-CG2 4.33Å; F6-V29 HydrophobicContact CZ-CG2 3.67Å; F6-A66 PolarHBondContact N-O 3.23Å; F6-A66 PolarHBondContact O-N 3.37Å; F6-V68 HydrophobicContact CD2-CG2 3.61Å; F6-V68 HydrophobicContact CE2-CB 4.01Å; F6-V68 HydrophobicContact CE2-CG2 3.53Å |
| 7 | I | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.9 | 172.4 | -52.3 | -179.2 | 0 | 0 | 0 | 107.8 | L5 L15 I16 I63 W64 L65 M85 M89 I101 | L5-I7 HydrophobicContact CD2-CG1 4.41Å; I7-L15 WeakPolarHBondContact O-CA 3.47Å; I7-L15 PolarHBondContact O-N 3.1Å; I7-I16 HydrophobicContact CB-CB 3.93Å; I7-I16 HydrophobicContact CB-CG1 4.32Å; I7-I16 HydrophobicContact CD1-CB 3.96Å; I7-I16 HydrophobicContact CD1-CG1 3.83Å; I7-I16 HydrophobicContact CD1-CG2 4.49Å; I7-I16 HydrophobicContact CG1-CB 3.88Å; I7-I16 HydrophobicContact CG1-CG1 4.28Å; I7-I16 HydrophobicContact CG1-CG2 4.46Å; I7-I16 PolarHBondContact N-O 2.74Å; I7-I16 PolarHBondContact O-N 3.33Å; I7-I63 HydrophobicContact CG2-CG2 3.32Å; I7-W64 CarbonylContact C-O 3.6Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.49Å; I7-L65 HydrophobicContact CG1-CG 4.4Å; I7-M85 HydrophobicContact CD1-CE 3.49Å; I7-M85 VanDerWaalsContact CD1-CE 3.49Å; I7-M85 HydrophobicContact CG1-CE 4.1Å; I7-M89 HydrophobicContact CD1-CE 3.89Å; I7-M89 HydrophobicContact CD1-SD 4.49Å; I7-I101 HydrophobicContact CG2-CD1 3.81Å |
| 8 | Y | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 151.2 | -179.5 | -51.7 | -101.7 | 0 | 0 | 0 | 111.5 | F6 G12 E13 V14 V29 F32 I37 I63 W64 A66 | F6-Y8 HydrophobicContact CB-CD2 4.22Å; F6-Y8 HydrophobicContact CB-CE2 3.34Å; F6-Y8 WeakPolarHBondContact CB-OH 3.03Å; F6-Y8 HydrophobicContact CG-CE2 4.35Å; Y8-G12 WeakPolarHBondContact CD1-O 3.41Å; Y8-E13 CarbonylContact C-O 3.5Å; Y8-E13 WeakPolarHBondContact CA-O 3.11Å; Y8-V14 HydrophobicContact CD1-CG2 3.86Å; Y8-V14 HydrophobicContact CE1-CG2 3.55Å; Y8-V29 HydrophobicContact CE1-CG1 3.83Å; Y8-V29 WeakPolarHBondContact OH-CA 3.49Å; Y8-F32 AromaticContact CD2-CD1 3.8Å; Y8-F32 HydrophobicContact CD2-CD1 3.8Å; Y8-F32 AromaticContact CD2-CE1 3.78Å; Y8-F32 HydrophobicContact CD2-CE1 3.78Å; Y8-F32 HydrophobicContact CE1-CD1 4.32Å; Y8-F32 AromaticContact CE2-CD1 3.36Å; Y8-F32 HydrophobicContact CE2-CD1 3.36Å; Y8-F32 AromaticContact CE2-CE1 3.74Å; Y8-F32 HydrophobicContact CE2-CE1 3.74Å; Y8-F32 HydrophobicContact CE2-CG 4.3Å; Y8-F32 HydrophobicContact CG-CD1 4.45Å; Y8-F32 AromaticContact CZ-CD1 3.69Å; Y8-I37 HydrophobicContact CD1-CD1 4.03Å; Y8-I37 HydrophobicContact CD2-CD1 4.29Å; Y8-I37 HydrophobicContact CG-CD1 3.77Å; Y8-I63 WeakPolarHBondContact O-CA 3.34Å; Y8-W64 HydrophobicContact CD2-CB 4.48Å; Y8-W64 PolarHBondContact N-O 2.86Å; Y8-W64 PolarHBondContact O-N 3.12Å; Y8-A66 HydrophobicContact CD2-CB 4.49Å; Y8-A66 HydrophobicContact CE2-CB 3.9Å |
| 9 | N | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -81.5 | -178.2 | 165.2 | 71.9 | 10.7 | 0 | 0 | 0 | 111.6 | K11 G12 E13 L15 N62 E98 | N9-K11 PolarHBondContact O-N 3.16Å; N9-K11 WeakPolarHBondContact OD1-CA 3.44Å; N9-K11 WeakPolarHBondContact OD1-CB 3.15Å; N9-K11 PolarHBondContact OD1-N 3.24Å; N9-G12 PolarHBondContact O-N 3.09Å; N9-G12 PolarHBondContact OD1-N 2.83Å; N9-G12 VanDerWaalsContact OD1-N 3.09Å; N9-E13 PolarHBondContact N-O 2.63Å; N9-E13 PolarHBondContact ND2-OE2 3Å; N9-E13 PolarHBondContact OD1-N 2.84Å; N9-L15 HydrophobicContact CB-CD1 4.22Å; N9-L15 HydrophobicContact CB-CD2 4.38Å; N9-L15 HydrophobicContact CB-CG 4.33Å; N9-N62 CarbonylContact C-O 3.56Å; N9-E98 WeakPolarHBondContact CB-OE2 3.09Å | ||
| 10 | H | 91.3 | Very high | 95 | Very high | 101 Ų | 101 | 32.6 Ų | 32.6 | 47% | 0.468 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.5 | -178.9 | 73 | 86.1 | 0 | 0 | 0 | 114 | G12 N62 | H10-G12 VanDerWaalsContact C-N 3.33Å; H10-N62 HydrophobicContact CB-CB 4.24Å; H10-N62 PolarHBondContact N-O 3.24Å; H10-N62 VanDerWaalsContact N-O 3.11Å |
| 11 | K | 92.6 | Very high | 95 | Very high | 113 Ų | 113 | 32.2 Ų | 32.2 | 49% | 0.491 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.4 | 175.2 | -57 | -179.6 | -176.7 | 172.4 | 0 | 112 | N9 E13 H38 | N9-K11 PolarHBondContact O-N 3.16Å; N9-K11 WeakPolarHBondContact OD1-CA 3.44Å; N9-K11 WeakPolarHBondContact OD1-CB 3.15Å; N9-K11 PolarHBondContact OD1-N 3.24Å; K11-E13 HydrophobicContact CB-CG 4.36Å; K11-H38 PolarHBondContact O-CE1 3Å; K11-H38 PolarHBondContact O-NE2 3.3Å |
| 12 | G | 91.8 | Very high | 95 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | 82.7 | 17 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y8 N9 H10 R33 I37 | Y8-G12 WeakPolarHBondContact CD1-O 3.41Å; N9-G12 PolarHBondContact O-N 3.09Å; N9-G12 PolarHBondContact OD1-N 2.83Å; N9-G12 VanDerWaalsContact OD1-N 3.09Å; H10-G12 VanDerWaalsContact C-N 3.33Å; G12-R33 WeakPolarHBondContact O-CD 3.33Å; G12-I37 VanDerWaalsContact CA-CD1 3.49Å | ||
| 13 | E | 93.9 | Very high | 94.7 | Very high | 97 Ų | 97 | 41 Ų | 41 | 45% | 0.453 | 21% | 0.207 | S | C | . | . | trans | -76.3 | 139.8 | 168.2 | -62.3 | 163.3 | 173.7 | 0 | 0 | 109.2 | Y8 N9 K11 L15 | Y8-E13 CarbonylContact C-O 3.5Å; Y8-E13 WeakPolarHBondContact CA-O 3.11Å; N9-E13 PolarHBondContact N-O 2.63Å; N9-E13 PolarHBondContact ND2-OE2 3Å; N9-E13 PolarHBondContact OD1-N 2.84Å; K11-E13 HydrophobicContact CB-CG 4.36Å; E13-L15 PolarHBondContact O-N 2.91Å | ||
| 14 | V | 95.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.4 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | Y8 I16 V29 | Y8-V14 HydrophobicContact CD1-CG2 3.86Å; Y8-V14 HydrophobicContact CE1-CG2 3.55Å; V14-I16 WeakPolarHBondContact CG1-O 3.4Å; V14-V29 HydrophobicContact CG2-CG1 3.24Å |
| 15 | L | 95.8 | Very high | 94 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -55.7 | 168.4 | -57.6 | 179.1 | 0 | 0 | 0 | 109.3 | I7 N9 E13 I63 E98 I101 F105 | I7-L15 WeakPolarHBondContact O-CA 3.47Å; I7-L15 PolarHBondContact O-N 3.1Å; N9-L15 HydrophobicContact CB-CD1 4.22Å; N9-L15 HydrophobicContact CB-CD2 4.38Å; N9-L15 HydrophobicContact CB-CG 4.33Å; E13-L15 PolarHBondContact O-N 2.91Å; L15-I63 HydrophobicContact CD1-CD1 3.66Å; L15-E98 HydrophobicContact CD1-CB 4.23Å; L15-E98 HydrophobicContact CD1-CG 3.99Å; L15-E98 HydrophobicContact CD2-CG 3.85Å; L15-I101 HydrophobicContact CB-CG2 3.9Å; L15-I101 HydrophobicContact CD1-CB 4.45Å; L15-I101 HydrophobicContact CD1-CD1 3.91Å; L15-I101 HydrophobicContact CD1-CG2 4.33Å; L15-F105 WeakPolarHBondContact O-CE1 3.3Å; L15-F105 WeakPolarHBondContact O-CZ 3.27Å |
| 16 | I | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.1 | 178.5 | -64.7 | -79.2 | 0 | 0 | 0 | 109.5 | F6 I7 V14 I101 F105 I108 Y109 L112 | F6-I16 VanDerWaalsContact CA-O 3.31Å; F6-I16 WeakPolarHBondContact CA-O 3.31Å; I7-I16 HydrophobicContact CB-CB 3.93Å; I7-I16 HydrophobicContact CB-CG1 4.32Å; I7-I16 HydrophobicContact CD1-CB 3.96Å; I7-I16 HydrophobicContact CD1-CG1 3.83Å; I7-I16 HydrophobicContact CD1-CG2 4.49Å; I7-I16 HydrophobicContact CG1-CB 3.88Å; I7-I16 HydrophobicContact CG1-CG1 4.28Å; I7-I16 HydrophobicContact CG1-CG2 4.46Å; I7-I16 PolarHBondContact N-O 2.74Å; I7-I16 PolarHBondContact O-N 3.33Å; V14-I16 WeakPolarHBondContact CG1-O 3.4Å; I16-I101 HydrophobicContact CD1-CG2 4.4Å; I16-I101 HydrophobicContact CG1-CG2 3.87Å; I16-F105 HydrophobicContact CD1-CD1 3.24Å; I16-F105 HydrophobicContact CD1-CE1 3.31Å; I16-F105 HydrophobicContact CG1-CD1 4.25Å; I16-F105 HydrophobicContact CG1-CE1 3.84Å; I16-I108 HydrophobicContact CD1-CB 4.1Å; I16-I108 HydrophobicContact CD1-CG2 3.58Å; I16-I108 HydrophobicContact CG1-CG2 3.97Å; I16-Y109 HydrophobicContact CD1-CE2 4.04Å; I16-Y109 HydrophobicContact CG2-CE1 4.2Å; I16-L112 HydrophobicContact CG2-CD1 3.74Å |
| 17 | S | 95.2 | Very high | 92.8 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 110.4 | 169.4 | 175 | 0 | 0 | 0 | 0 | 109.6 | F6 | F6-S17 WeakPolarHBondContact CE1-OG 3.27Å |
| 18 | R | 96 | Very high | 92.2 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 119.5 | 173.5 | -165 | 63.1 | 178.8 | 178.9 | 7.4 | 110.8 | G4 L5 Y20 L112 D113 | G4-R18 CarbonylContact C-O 3.6Å; G4-R18 WeakPolarHBondContact CA-O 3.43Å; L5-R18 PolarHBondContact N-O 3.1Å; L5-R18 PolarHBondContact O-N 3.29Å; R18-Y20 HydrophobicContact CB-CE2 4.3Å; R18-Y20 HydrophobicContact CG-CE1 3.93Å; R18-Y20 HydrophobicContact CG-CE2 4Å; R18-Y20 WeakPolarHBondContact CG-OH 3.33Å; R18-L112 HydrophobicContact CB-CD1 3.98Å; R18-L112 HydrophobicContact CG-CB 4.5Å; R18-L112 HydrophobicContact CG-CD1 4.43Å; R18-D113 VanDerWaalsContact CZ-CG 3.5Å; R18-D113 IonicContact CZ-OD1 3.7Å; R18-D113 IonicContact CZ-OD2 3.42Å; R18-D113 VanDerWaalsContact CZ-OD2 3.22Å; R18-D113 IonicContact NE-OD1 2.93Å; R18-D113 PolarHBondContact NE-OD1 3.46Å; R18-D113 IonicContact NE-OD2 3.22Å; R18-D113 IonicContact NH1-OD2 3.76Å; R18-D113 IonicContact NH2-OD1 2.67Å; R18-D113 PolarHBondContact NH2-OD1 3.14Å; R18-D113 IonicContact NH2-OD2 2.69Å; R18-D113 PolarHBondContact NH2-OD2 3.06Å |
| 19 | V | 96.1 | Very high | 91.7 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.8 | -178.3 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | F6 R21 I24 | F6-V19 HydrophobicContact CE1-CG2 4.18Å; F6-V19 HydrophobicContact CZ-CG2 4.13Å; V19-R21 WeakPolarHBondContact CG1-O 3.48Å; V19-I24 HydrophobicContact CG1-CB 4.24Å |
| 20 | Y | 95.8 | Very high | 91.4 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 8% | 0.078 | 33% | 0.329 | C | S | . | . | trans | -118.9 | -7.9 | -177.7 | -57.7 | -79.5 | 0 | 0 | 0 | 113.3 | G3 L5 R18 L112 L116 F118 | G3-Y20 PolarHBondContact O-N 2.98Å; L5-Y20 HydrophobicContact CB-CE2 3.98Å; R18-Y20 HydrophobicContact CB-CE2 4.3Å; R18-Y20 HydrophobicContact CG-CE1 3.93Å; R18-Y20 HydrophobicContact CG-CE2 4Å; R18-Y20 WeakPolarHBondContact CG-OH 3.33Å; Y20-L112 WeakPolarHBondContact OH-CB 3.48Å; Y20-L112 PolarHBondContact OH-O 2.99Å; Y20-L116 WeakPolarHBondContact CD1-O 3.42Å; Y20-L116 HydrophobicContact CD2-CD2 3.75Å; Y20-L116 HydrophobicContact CD2-CG 4.43Å; Y20-L116 HydrophobicContact CE1-CB 4.2Å; Y20-L116 HydrophobicContact CE1-CD2 4.24Å; Y20-L116 HydrophobicContact CE1-CG 4.19Å; Y20-L116 WeakPolarHBondContact CE1-O 3.41Å; Y20-L116 HydrophobicContact CE2-CD2 3.27Å; Y20-L116 HydrophobicContact CE2-CG 4.09Å; Y20-L116 HydrophobicContact CG-CD2 4.41Å; Y20-F118 WeakPolarHBondContact O-CD2 3.43Å; Y20-F118 WeakPolarHBondContact O-CE2 3.37Å | ||
| 21 | R | 94.1 | Very high | 91.3 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -138.4 | 140.2 | 175.4 | -71.6 | -78.4 | -177.2 | -72.5 | 0.3 | 109.8 | G3 V19 D23 I24 F118 | G3-R21 PolarHBondContact O-N 3.11Å; V19-R21 WeakPolarHBondContact CG1-O 3.48Å; R21-D23 WeakPolarHBondContact CB-OD1 3.08Å; R21-D23 PolarHBondContact O-N 2.89Å; R21-D23 VanDerWaalsContact O-N 3.16Å; R21-I24 PolarHBondContact O-N 2.69Å; R21-F118 PolarHBondContact NH1-O 3.32Å; R21-F118 VanDerWaalsContact NH2-CE1 3.25Å; R21-F118 PolarHBondContact NH2-O 3.31Å |
| 22 | D | 92.1 | Very high | 91.2 | Very high | 165 Ų | 165 | 55.7 Ų | 55.7 | 88% | 0.882 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.3 | -179.8 | -54.7 | -31.3 | 0 | 0 | 0 | 113.2 | I24 | D22-I24 PolarHBondContact O-N 2.67Š|
| 23 | D | 90.4 | Very high | 91.2 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -7.1 | 179.3 | 74.7 | -25.5 | 0 | 0 | 0 | 113.7 | R21 K70 | R21-D23 WeakPolarHBondContact CB-OD1 3.08Å; R21-D23 PolarHBondContact O-N 2.89Å; R21-D23 VanDerWaalsContact O-N 3.16Å; D23-K70 HydrophobicContact CB-CD 4.35Å; D23-K70 VanDerWaalsContact O-CE 3.31Å; D23-K70 WeakPolarHBondContact O-CE 3.49Å; D23-K70 PolarHBondContact O-NZ 2.95Å |
| 24 | I | 92.3 | Very high | 91 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | trans | -101.6 | 99.4 | 175.6 | -54.8 | -50.4 | 0 | 0 | 0 | 110.2 | G3 F6 V19 R21 D22 A28 V68 K70 | G3-I24 VanDerWaalsContact C-CG1 3.46Å; F6-I24 HydrophobicContact CE2-CG2 4.11Å; F6-I24 HydrophobicContact CZ-CG2 3.86Å; V19-I24 HydrophobicContact CG1-CB 4.24Å; R21-I24 PolarHBondContact O-N 2.69Å; D22-I24 PolarHBondContact O-N 2.67Å; I24-A28 HydrophobicContact CG2-CB 3.99Å; I24-V68 HydrophobicContact CD1-CG1 4Å; I24-V68 HydrophobicContact CG2-CG1 4.36Å; I24-K70 HydrophobicContact CD1-CD 4.48Å; I24-K70 HydrophobicContact CD1-CG 4.19Å | ||
| 25 | G | 84.7 | Confident | 90.7 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | trans | -89.2 | 175.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N27 A28 | G25-N27 PolarHBondContact O-N 3.04Å; G25-N27 VanDerWaalsContact O-N 3.11Å; G25-A28 WeakPolarHBondContact O-CB 2.95Å; G25-A28 PolarHBondContact O-N 2.82Å | ||
| 26 | R | 81.5 | Confident | 90.4 | Very high | 216 Ų | 216 | 60.2 Ų | 60.2 | 82% | 0.815 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -54.7 | -30.1 | 175.5 | -64.9 | 179.8 | -175.5 | 173.8 | 1.1 | 112.8 | A28 V29 D30 | R26-A28 PolarHBondContact O-N 2.78Å; R26-A28 VanDerWaalsContact O-N 3.14Å; R26-V29 VanDerWaalsContact O-CB 3.27Å; R26-V29 WeakPolarHBondContact O-CB 3.44Å; R26-V29 PolarHBondContact O-N 3.23Å; R26-D30 PolarHBondContact O-N 2.78Å |
| 27 | N | 86.1 | Confident | 90.1 | Very high | 134 Ų | 134 | 61.4 Ų | 61.4 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.5 | -33 | 178.9 | -41 | 13.2 | 0 | 0 | 0 | 112 | G25 A31 | G25-N27 PolarHBondContact O-N 3.04Å; G25-N27 VanDerWaalsContact O-N 3.11Å; N27-A31 VanDerWaalsContact O-CB 3.3Å; N27-A31 WeakPolarHBondContact O-CB 3.35Å; N27-A31 PolarHBondContact O-N 3.05Å |
| 28 | A | 84.7 | Confident | 89.8 | Confident | 12 Ų | 12 | 64 Ų | 64 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I24 G25 R26 A31 F32 F55 V68 | I24-A28 HydrophobicContact CG2-CB 3.99Å; G25-A28 WeakPolarHBondContact O-CB 2.95Å; G25-A28 PolarHBondContact O-N 2.82Å; R26-A28 PolarHBondContact O-N 2.78Å; R26-A28 VanDerWaalsContact O-N 3.14Å; A28-A31 PolarHBondContact O-N 3.45Å; A28-F32 PolarHBondContact O-N 2.81Å; A28-F32 VanDerWaalsContact O-N 3.1Å; A28-F55 HydrophobicContact CB-CE1 4.32Å; A28-F55 HydrophobicContact CB-CZ 4.23Å; A28-F55 VanDerWaalsContact O-CE1 3.27Å; A28-F55 WeakPolarHBondContact O-CE1 3.47Å; A28-V68 HydrophobicContact CB-CG1 4.19Å |
| 29 | V | 84 | Confident | 89.3 | Confident | 22 Ų | 22 | 62 Ų | 62 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | F6 Y8 V14 R26 F32 R33 | F6-V29 HydrophobicContact CD1-CG2 3.7Å; F6-V29 HydrophobicContact CE1-CG2 3.34Å; F6-V29 HydrophobicContact CE2-CG2 4.29Å; F6-V29 HydrophobicContact CG-CG2 4.33Å; F6-V29 HydrophobicContact CZ-CG2 3.67Å; Y8-V29 HydrophobicContact CE1-CG1 3.83Å; Y8-V29 WeakPolarHBondContact OH-CA 3.49Å; V14-V29 HydrophobicContact CG2-CG1 3.24Å; R26-V29 VanDerWaalsContact O-CB 3.27Å; R26-V29 WeakPolarHBondContact O-CB 3.44Å; R26-V29 PolarHBondContact O-N 3.23Å; V29-F32 PolarHBondContact O-N 2.8Å; V29-R33 PolarHBondContact O-N 3.34Å |
| 30 | D | 88.7 | Confident | 88.4 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 178.5 | -72.1 | -40.9 | 0 | 0 | 0 | 112.2 | R26 F32 R33 V34 | R26-D30 PolarHBondContact O-N 2.78Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 2.97Å; D30-R33 PolarHBondContact O-N 3.29Å; D30-R33 IonicContact OD1-CZ 3.78Å; D30-R33 IonicContact OD1-NE 3.7Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.21Å; D30-V34 WeakPolarHBondContact O-CG2 3.47Å; D30-V34 PolarHBondContact O-N 3.27Å |
| 31 | A | 90 | Very high | 87.5 | Confident | 24 Ų | 24 | 76.1 Ų | 76.1 | 20% | 0.198 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N27 A28 N35 I50 F55 | N27-A31 VanDerWaalsContact O-CB 3.3Å; N27-A31 WeakPolarHBondContact O-CB 3.35Å; N27-A31 PolarHBondContact O-N 3.05Å; A28-A31 PolarHBondContact O-N 3.45Å; A31-N35 VanDerWaalsContact O-CB 3.29Å; A31-N35 WeakPolarHBondContact O-CB 3.41Å; A31-N35 PolarHBondContact O-N 2.82Å; A31-N35 PolarHBondContact O-ND2 3.03Å; A31-I50 HydrophobicContact CB-CG2 4.49Å; A31-F55 HydrophobicContact CB-CZ 4.27Å |
| 32 | F | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 177.4 | -173.8 | -104.2 | 0 | 0 | 0 | 112 | Y8 A28 V29 D30 V34 V36 I37 F55 H57 A66 | Y8-F32 AromaticContact CD2-CD1 3.8Å; Y8-F32 HydrophobicContact CD2-CD1 3.8Å; Y8-F32 AromaticContact CD2-CE1 3.78Å; Y8-F32 HydrophobicContact CD2-CE1 3.78Å; Y8-F32 HydrophobicContact CE1-CD1 4.32Å; Y8-F32 AromaticContact CE2-CD1 3.36Å; Y8-F32 HydrophobicContact CE2-CD1 3.36Å; Y8-F32 AromaticContact CE2-CE1 3.74Å; Y8-F32 HydrophobicContact CE2-CE1 3.74Å; Y8-F32 HydrophobicContact CE2-CG 4.3Å; Y8-F32 HydrophobicContact CG-CD1 4.45Å; Y8-F32 AromaticContact CZ-CD1 3.69Å; A28-F32 PolarHBondContact O-N 2.81Å; A28-F32 VanDerWaalsContact O-N 3.1Å; V29-F32 PolarHBondContact O-N 2.8Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 2.97Å; F32-V34 PolarHBondContact O-N 2.68Å; F32-V36 HydrophobicContact CD2-CB 3.9Å; F32-V36 HydrophobicContact CD2-CG1 4.39Å; F32-V36 HydrophobicContact CD2-CG2 3.65Å; F32-V36 HydrophobicContact CE2-CB 3.73Å; F32-V36 HydrophobicContact CE2-CG1 3.71Å; F32-V36 HydrophobicContact CE2-CG2 3.73Å; F32-V36 HydrophobicContact CG-CB 4.46Å; F32-V36 HydrophobicContact CG-CG2 4.48Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.9Å; F32-V36 WeakPolarHBondContact O-CA 3.49Å; F32-V36 VanDerWaalsContact O-CB 3.29Å; F32-V36 WeakPolarHBondContact O-CB 3.48Å; F32-V36 PolarHBondContact O-N 3.1Å; F32-I37 HydrophobicContact CD1-CD1 3.94Å; F32-I37 HydrophobicContact CD1-CG1 4.11Å; F32-I37 HydrophobicContact CE1-CD1 3.79Å; F32-I37 HydrophobicContact CE1-CG1 3.82Å; F32-I37 PolarHBondContact O-N 3.06Å; F32-F55 HydrophobicContact CB-CD1 3.83Å; F32-F55 HydrophobicContact CB-CE1 3.81Å; F32-F55 HydrophobicContact CD2-CB 3.93Å; F32-F55 AromaticContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CE1 4.43Å; F32-F55 AromaticContact CD2-CG 3.98Å; F32-F55 HydrophobicContact CD2-CG 3.98Å; F32-F55 HydrophobicContact CE2-CB 4.24Å; F32-F55 HydrophobicContact CG-CD1 4.07Å; F32-H57 HydrophobicContact CE2-CB 3.74Å; F32-H57 AromaticContact CE2-CG 3.7Å; F32-H57 AromaticContact CE2-ND1 3.68Å; F32-H57 HydrophobicContact CZ-CB 3.57Å; F32-H57 AromaticContact CZ-CG 3.75Å; F32-A66 HydrophobicContact CD1-CB 4.17Å; F32-A66 HydrophobicContact CD2-CB 4.35Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.07Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.82Å |
| 33 | R | 90.7 | Very high | 85.6 | Confident | 96 Ų | 96 | 78.7 Ų | 78.7 | 36% | 0.362 | 39% | 0.39 | S | S | . | . | I | π-helix | trans | -55.5 | -52.8 | 177.7 | 175.4 | 177.4 | 63.4 | 162.3 | -4.1 | 111.8 | G12 V29 D30 I37 H38 | G12-R33 WeakPolarHBondContact O-CD 3.33Å; V29-R33 PolarHBondContact O-N 3.34Å; D30-R33 PolarHBondContact O-N 3.29Å; D30-R33 IonicContact OD1-CZ 3.78Å; D30-R33 IonicContact OD1-NE 3.7Å; D30-R33 IonicContact OD1-NH2 2.68Å; D30-R33 PolarHBondContact OD1-NH2 3.21Å; R33-I37 WeakPolarHBondContact O-CB 3.29Å; R33-I37 PolarHBondContact O-N 3.28Å; R33-H38 PolarHBondContact O-N 3.46Å |
| 34 | V | 89.8 | Confident | 84.7 | Confident | 83 Ų | 83 | 85.8 Ų | 85.8 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | I | π-helix | trans | -70.8 | -45.4 | -174.4 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | D30 F32 | D30-V34 WeakPolarHBondContact O-CG2 3.47Å; D30-V34 PolarHBondContact O-N 3.27Å; F32-V34 PolarHBondContact O-N 2.68Å |
| 35 | N | 89.1 | Confident | 84.7 | Confident | 87 Ų | 87 | 87.9 Ų | 87.9 | 47% | 0.465 | 43% | 0.427 | S | S | . | . | I | π-helix | trans | -92.1 | -18.8 | -169 | -61.9 | -74.2 | 0 | 0 | 0 | 114.1 | A31 A39 I50 | A31-N35 VanDerWaalsContact O-CB 3.29Å; A31-N35 WeakPolarHBondContact O-CB 3.41Å; A31-N35 PolarHBondContact O-N 2.82Å; A31-N35 PolarHBondContact O-ND2 3.03Å; N35-A39 WeakPolarHBondContact O-CB 3.29Å; N35-I50 HydrophobicContact CB-CD1 3.65Å; N35-I50 HydrophobicContact CB-CG1 4.48Å |
| 36 | V | 90.1 | Very high | 85.1 | Confident | 3 Ų | 3 | 89.4 Ų | 89.4 | 2% | 0.018 | 43% | 0.43 | C | S | . | . | I | π-helix | trans | -113.6 | -55.3 | -179.4 | -173.9 | 0 | 0 | 0 | 0 | 111 | F32 A39 V43 T48 I50 | F32-V36 HydrophobicContact CD2-CB 3.9Å; F32-V36 HydrophobicContact CD2-CG1 4.39Å; F32-V36 HydrophobicContact CD2-CG2 3.65Å; F32-V36 HydrophobicContact CE2-CB 3.73Å; F32-V36 HydrophobicContact CE2-CG1 3.71Å; F32-V36 HydrophobicContact CE2-CG2 3.73Å; F32-V36 HydrophobicContact CG-CB 4.46Å; F32-V36 HydrophobicContact CG-CG2 4.48Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.9Å; F32-V36 WeakPolarHBondContact O-CA 3.49Å; F32-V36 VanDerWaalsContact O-CB 3.29Å; F32-V36 WeakPolarHBondContact O-CB 3.48Å; F32-V36 PolarHBondContact O-N 3.1Å; V36-A39 WeakPolarHBondContact O-CB 3.47Å; V36-V43 HydrophobicContact CG1-CG1 4.07Å; V36-V43 HydrophobicContact CG1-CG2 3.96Å; V36-V43 VanDerWaalsContact O-CG2 3.23Å; V36-V43 WeakPolarHBondContact O-CG2 3.44Å; V36-T48 HydrophobicContact CG2-CG2 4.26Å; V36-I50 HydrophobicContact CG2-CD1 4.33Å |
| 37 | I | 90.1 | Very high | 85.8 | Confident | 25 Ų | 25 | 81.5 Ų | 81.5 | 13% | 0.128 | 41% | 0.406 | C | S | . | . | I | π-helix | trans | -71.9 | -41.3 | -174.9 | -56.6 | 179.5 | 0 | 0 | 0 | 111.3 | Y8 G12 F32 R33 W64 | Y8-I37 HydrophobicContact CD1-CD1 4.03Å; Y8-I37 HydrophobicContact CD2-CD1 4.29Å; Y8-I37 HydrophobicContact CG-CD1 3.77Å; G12-I37 VanDerWaalsContact CA-CD1 3.49Å; F32-I37 HydrophobicContact CD1-CD1 3.94Å; F32-I37 HydrophobicContact CD1-CG1 4.11Å; F32-I37 HydrophobicContact CE1-CD1 3.79Å; F32-I37 HydrophobicContact CE1-CG1 3.82Å; F32-I37 PolarHBondContact O-N 3.06Å; R33-I37 WeakPolarHBondContact O-CB 3.29Å; R33-I37 PolarHBondContact O-N 3.28Å; I37-W64 HydrophobicContact CD1-CG 4.48Å |
| 38 | H | 89.1 | Confident | 86.2 | Confident | 107 Ų | 107 | 76.8 Ų | 76.8 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 16.3 | 178.3 | -62.2 | 164.7 | 0 | 0 | 0 | 113.8 | K11 R33 R40 | K11-H38 PolarHBondContact O-CE1 3Å; K11-H38 PolarHBondContact O-NE2 3.3Å; R33-H38 PolarHBondContact O-N 3.46Å; H38-R40 PolarHBondContact O-N 2.95Å |
| 39 | A | 85.9 | Confident | 86.6 | Confident | 40 Ų | 40 | 81 Ų | 81 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | trans | -57.2 | 125.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | N35 V36 Q41 | N35-A39 WeakPolarHBondContact O-CB 3.29Å; V36-A39 WeakPolarHBondContact O-CB 3.47Å; A39-Q41 CarbonylContact C-O 3.52Å; A39-Q41 VanDerWaalsContact CB-O 3.31Å; A39-Q41 WeakPolarHBondContact CB-O 3.42Å; A39-Q41 PolarHBondContact O-N 3.29Å | ||
| 40 | R | 76 | Confident | 86.9 | Confident | 259 Ų | 259 | 81.5 Ų | 81.5 | 98% | 0.977 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -63 | -30.5 | 175.7 | -68.4 | -175 | 180 | -176 | 0.5 | 112.1 | H38 | H38-R40 PolarHBondContact O-N 2.95Š|
| 41 | Q | 77.4 | Confident | 86.9 | Confident | 123 Ų | 123 | 82.6 Ų | 82.6 | 58% | 0.575 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -91.9 | 145.1 | 172 | -64.4 | -171.2 | -0.6 | 0 | 0 | 109.4 | A39 V43 | A39-Q41 CarbonylContact C-O 3.52Å; A39-Q41 VanDerWaalsContact CB-O 3.31Å; A39-Q41 WeakPolarHBondContact CB-O 3.42Å; A39-Q41 PolarHBondContact O-N 3.29Å; Q41-V43 PolarHBondContact O-N 3.18Å |
| 42 | Q | 74.6 | Confident | 86.9 | Confident | 183 Ų | 183 | 91.9 Ų | 91.9 | 86% | 0.855 | 45% | 0.453 | S | S | * | . | trans | -54.6 | 135.3 | 174.7 | -66.7 | -171.2 | -6.5 | 0 | 0 | 110.3 | R44 | Q42-R44 VanDerWaalsContact O-CG 3.27Å; Q42-R44 WeakPolarHBondContact O-CG 3.49Å; Q42-R44 PolarHBondContact O-N 3.4Å; Q42-R44 VanDerWaalsContact O-N 3.08Å | ||
| 43 | V | 70.8 | Confident | 87.1 | Confident | 60 Ų | 60 | 92.5 Ų | 92.5 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | trans | -55.5 | 114.9 | 177.7 | 179 | 0 | 0 | 0 | 0 | 109 | V36 Q41 H57 W64 | V36-V43 HydrophobicContact CG1-CG1 4.07Å; V36-V43 HydrophobicContact CG1-CG2 3.96Å; V36-V43 VanDerWaalsContact O-CG2 3.23Å; V36-V43 WeakPolarHBondContact O-CG2 3.44Å; Q41-V43 PolarHBondContact O-N 3.18Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.33Å; V43-W64 HydrophobicContact CG2-CH2 4.05Å | ||
| 44 | R | 72.6 | Confident | 87.3 | Confident | 209 Ų | 209 | 89.2 Ų | 89.2 | 79% | 0.789 | 45% | 0.449 | S | S | * | . | trans | -89 | -25.2 | -170.9 | -59.5 | -172.8 | -175.4 | -160.5 | 0.6 | 113.6 | Q42 | Q42-R44 VanDerWaalsContact O-CG 3.27Å; Q42-R44 WeakPolarHBondContact O-CG 3.49Å; Q42-R44 PolarHBondContact O-N 3.4Å; Q42-R44 VanDerWaalsContact O-N 3.08Å | ||
| 45 | S | 91.1 | Very high | 87.6 | Confident | 51 Ų | 51 | 85.3 Ų | 85.3 | 36% | 0.357 | 43% | 0.425 | S | S | . | . | trans | -142.3 | 136.7 | -169.9 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | V47 H57 | S45-V47 WeakPolarHBondContact CB-O 3.42Å; S45-V47 PolarHBondContact O-N 3.4Å; S45-V47 PolarHBondContact OG-N 2.85Å; S45-V47 VanDerWaalsContact OG-N 3.12Å; S45-V47 PolarHBondContact OG-O 2.75Å; S45-H57 PolarHBondContact O-CE1 3.43Å; S45-H57 PolarHBondContact O-NE2 3.28Å | ||
| 46 | P | 94.1 | Very high | 88 | Confident | 71 Ų | 71 | 81.6 Ų | 81.6 | 46% | 0.461 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -71.4 | -8.2 | 173.1 | 32.9 | -36.7 | 0 | 0 | 0 | 112.9 | F56 H57 F79 | P46-F56 WeakPolarHBondContact O-CA 3.49Å; P46-H57 PolarHBondContact O-N 3.01Å; P46-H57 PolarHBondContact O-ND1 3.08Å; P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.78Å; P46-F79 HydrophobicContact CG-CZ 4.15Å |
| 47 | V | 95.8 | Very high | 88.3 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 30% | 0.303 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.3 | 171.3 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | S45 F55 F56 F79 | S45-V47 WeakPolarHBondContact CB-O 3.42Å; S45-V47 PolarHBondContact O-N 3.4Å; S45-V47 PolarHBondContact OG-N 2.85Å; S45-V47 VanDerWaalsContact OG-N 3.12Å; S45-V47 PolarHBondContact OG-O 2.75Å; V47-F55 WeakPolarHBondContact CA-O 3.29Å; V47-F56 HydrophobicContact CB-CD1 4.48Å; V47-F56 HydrophobicContact CG1-CD1 4.12Å; V47-F56 HydrophobicContact CG1-CE1 3.85Å; V47-F56 HydrophobicContact CG1-CZ 4.35Å; V47-F56 HydrophobicContact CG2-CD1 3.65Å; V47-F56 HydrophobicContact CG2-CE1 3.86Å; V47-F79 HydrophobicContact CG2-CE2 3.57Å; V47-F79 HydrophobicContact CG2-CZ 3.6Å |
| 48 | T | 93.8 | Very high | 88.5 | Confident | 36 Ų | 36 | 81.1 Ų | 81.1 | 22% | 0.221 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.7 | 177.1 | -52.7 | 0 | 0 | 0 | 0 | 109.3 | V36 I50 F55 | V36-T48 HydrophobicContact CG2-CG2 4.26Å; T48-I50 HydrophobicContact CG2-CD1 4.19Å; T48-I50 HydrophobicContact CG2-CG1 3.84Å; T48-F55 PolarHBondContact N-O 3.27Å; T48-F55 PolarHBondContact O-N 2.89Å |
| 49 | N | 93.3 | Very high | 88.6 | Confident | 100 Ų | 100 | 81.2 Ų | 81.2 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.2 | 171.8 | -168.5 | -86.2 | 0 | 0 | 0 | 109.2 | R52 T53 S54 | N49-R52 WeakPolarHBondContact OD1-CA 3.45Å; N49-R52 PolarHBondContact OD1-N 2.7Å; N49-T53 CarbonylContact C-O 3.56Å; N49-T53 WeakPolarHBondContact CA-O 3.37Å; N49-S54 PolarHBondContact ND2-OG 2.69Å |
| 50 | I | 91.1 | Very high | 88.8 | Confident | 32 Ų | 32 | 84 Ų | 84 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.7 | 178.8 | -51.4 | 166 | 0 | 0 | 0 | 107.1 | A31 N35 V36 T48 R52 T53 F55 | A31-I50 HydrophobicContact CB-CG2 4.49Å; N35-I50 HydrophobicContact CB-CD1 3.65Å; N35-I50 HydrophobicContact CB-CG1 4.48Å; V36-I50 HydrophobicContact CG2-CD1 4.33Å; T48-I50 HydrophobicContact CG2-CD1 4.19Å; T48-I50 HydrophobicContact CG2-CG1 3.84Å; I50-R52 VanDerWaalsContact C-N 3.28Å; I50-R52 PolarHBondContact O-N 2.85Å; I50-T53 PolarHBondContact N-O 2.93Å; I50-T53 WeakPolarHBondContact O-CA 3.31Å; I50-T53 WeakPolarHBondContact O-CB 3.43Å; I50-T53 PolarHBondContact O-N 2.86Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.88Å; I50-F55 HydrophobicContact CD1-CD2 3.92Å; I50-F55 HydrophobicContact CD1-CE2 3.88Å; I50-F55 HydrophobicContact CG1-CD2 4.13Å; I50-F55 HydrophobicContact CG1-CE2 4.12Å |
| 51 | A | 88.8 | Confident | 89.4 | Confident | 95 Ų | 95 | 76 Ų | 76 | 79% | 0.785 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 49.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | T53 | A51-T53 PolarHBondContact O-N 2.78Å; A51-T53 VanDerWaalsContact O-N 3.15Å |
| 52 | R | 90.6 | Very high | 90 | Very high | 219 Ų | 219 | 75.1 Ų | 75.1 | 83% | 0.826 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 12.9 | -177.7 | -53.2 | -177.8 | 177.4 | -172.9 | -0.6 | 115.3 | N49 I50 | N49-R52 WeakPolarHBondContact OD1-CA 3.45Å; N49-R52 PolarHBondContact OD1-N 2.7Å; I50-R52 VanDerWaalsContact C-N 3.28Å; I50-R52 PolarHBondContact O-N 2.85Å |
| 53 | T | 94.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.1 | 172.2 | -53.3 | 0 | 0 | 0 | 0 | 109 | N49 I50 A51 F55 V68 K70 | N49-T53 CarbonylContact C-O 3.56Å; N49-T53 WeakPolarHBondContact CA-O 3.37Å; I50-T53 PolarHBondContact N-O 2.93Å; I50-T53 WeakPolarHBondContact O-CA 3.31Å; I50-T53 WeakPolarHBondContact O-CB 3.43Å; I50-T53 PolarHBondContact O-N 2.86Å; A51-T53 PolarHBondContact O-N 2.78Å; A51-T53 VanDerWaalsContact O-N 3.15Å; T53-F55 HydrophobicContact CG2-CD2 4.41Å; T53-F55 HydrophobicContact CG2-CE2 3.68Å; T53-F55 HydrophobicContact CG2-CZ 3.79Å; T53-F55 WeakPolarHBondContact O-CD2 3.48Å; T53-F55 WeakPolarHBondContact O-CE2 3.38Å; T53-V68 HydrophobicContact CG2-CG1 3.45Å; T53-V68 VanDerWaalsContact CG2-CG1 3.45Å; T53-K70 HydrophobicContact CG2-CG 4.11Å |
| 54 | S | 96 | Very high | 92.1 | Very high | 26 Ų | 26 | 64.9 Ų | 64.9 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130.6 | 179.6 | -65.3 | 0 | 0 | 0 | 0 | 110.6 | N49 V68 T69 | N49-S54 PolarHBondContact ND2-OG 2.69Å; S54-V68 WeakPolarHBondContact O-CA 3.34Å; S54-T69 PolarHBondContact N-O 3.2Å; S54-T69 PolarHBondContact O-N 3.06Å |
| 55 | F | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 105.2 | 179.1 | -64.3 | -94.7 | 0 | 0 | 0 | 109.3 | A28 A31 F32 V47 T48 I50 T53 V68 | A28-F55 HydrophobicContact CB-CE1 4.32Å; A28-F55 HydrophobicContact CB-CZ 4.23Å; A28-F55 VanDerWaalsContact O-CE1 3.27Å; A28-F55 WeakPolarHBondContact O-CE1 3.47Å; A31-F55 HydrophobicContact CB-CZ 4.27Å; F32-F55 HydrophobicContact CB-CD1 3.83Å; F32-F55 HydrophobicContact CB-CE1 3.81Å; F32-F55 HydrophobicContact CD2-CB 3.93Å; F32-F55 AromaticContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CD1 3.59Å; F32-F55 HydrophobicContact CD2-CE1 4.43Å; F32-F55 AromaticContact CD2-CG 3.98Å; F32-F55 HydrophobicContact CD2-CG 3.98Å; F32-F55 HydrophobicContact CE2-CB 4.24Å; F32-F55 HydrophobicContact CG-CD1 4.07Å; V47-F55 WeakPolarHBondContact CA-O 3.29Å; T48-F55 PolarHBondContact N-O 3.27Å; T48-F55 PolarHBondContact O-N 2.89Å; I50-F55 HydrophobicContact CB-CD2 4.32Å; I50-F55 HydrophobicContact CB-CE2 3.88Å; I50-F55 HydrophobicContact CD1-CD2 3.92Å; I50-F55 HydrophobicContact CD1-CE2 3.88Å; I50-F55 HydrophobicContact CG1-CD2 4.13Å; I50-F55 HydrophobicContact CG1-CE2 4.12Å; T53-F55 HydrophobicContact CG2-CD2 4.41Å; T53-F55 HydrophobicContact CG2-CE2 3.68Å; T53-F55 HydrophobicContact CG2-CZ 3.79Å; T53-F55 WeakPolarHBondContact O-CD2 3.48Å; T53-F55 WeakPolarHBondContact O-CE2 3.38Å; F55-V68 HydrophobicContact CD1-CB 4.41Å; F55-V68 HydrophobicContact CD1-CG1 4.12Å; F55-V68 HydrophobicContact CD1-CG2 3.53Å; F55-V68 HydrophobicContact CE1-CB 4.39Å; F55-V68 HydrophobicContact CE1-CG1 3.76Å; F55-V68 HydrophobicContact CE1-CG2 3.66Å; F55-V68 HydrophobicContact CZ-CG1 4.13Å |
| 56 | F | 97.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 4% | 0.044 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.1 | 171.4 | -57.2 | -90.9 | 0 | 0 | 0 | 107.7 | P46 V47 A66 A67 T69 V73 A75 V78 F79 L82 | P46-F56 WeakPolarHBondContact O-CA 3.49Å; V47-F56 HydrophobicContact CB-CD1 4.48Å; V47-F56 HydrophobicContact CG1-CD1 4.12Å; V47-F56 HydrophobicContact CG1-CE1 3.85Å; V47-F56 HydrophobicContact CG1-CZ 4.35Å; V47-F56 HydrophobicContact CG2-CD1 3.65Å; V47-F56 HydrophobicContact CG2-CE1 3.86Å; F56-A66 CarbonylContact O-C 3.56Å; F56-A66 VanDerWaalsContact O-CA 3.29Å; F56-A66 WeakPolarHBondContact O-CA 3.31Å; F56-A67 HydrophobicContact CB-CB 4.32Å; F56-A67 PolarHBondContact N-O 2.88Å; F56-A67 PolarHBondContact O-N 3.37Å; F56-T69 HydrophobicContact CD2-CG2 4.36Å; F56-T69 HydrophobicContact CE2-CG2 3.66Å; F56-V73 HydrophobicContact CE2-CG2 3.93Å; F56-V73 HydrophobicContact CZ-CG2 3.95Å; F56-A75 HydrophobicContact CD1-CB 4.26Å; F56-A75 HydrophobicContact CE1-CB 3.49Å; F56-A75 VanDerWaalsContact CE1-CB 3.49Å; F56-A75 HydrophobicContact CZ-CB 4.32Å; F56-V78 HydrophobicContact CB-CG1 3.67Å; F56-V78 HydrophobicContact CD1-CB 4.37Å; F56-V78 HydrophobicContact CD1-CG1 4.32Å; F56-V78 HydrophobicContact CD2-CG1 3.97Å; F56-V78 HydrophobicContact CD2-CG2 4.49Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.72Å; F56-F79 HydrophobicContact CB-CE1 4.39Å; F56-F79 HydrophobicContact CB-CZ 4.21Å; F56-F79 HydrophobicContact CD1-CD2 4.47Å; F56-F79 AromaticContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CZ 4.02Å; F56-L82 HydrophobicContact CB-CD1 4.44Å |
| 57 | H | 95.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 145.9 | -176.7 | 63.1 | -87.6 | 0 | 0 | 0 | 113.5 | F32 V43 S45 P46 W64 L65 A66 | F32-H57 HydrophobicContact CE2-CB 3.74Å; F32-H57 AromaticContact CE2-CG 3.7Å; F32-H57 AromaticContact CE2-ND1 3.68Å; F32-H57 HydrophobicContact CZ-CB 3.57Å; F32-H57 AromaticContact CZ-CG 3.75Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.33Å; S45-H57 PolarHBondContact O-CE1 3.43Å; S45-H57 PolarHBondContact O-NE2 3.28Å; P46-H57 PolarHBondContact O-N 3.01Å; P46-H57 PolarHBondContact O-ND1 3.08Å; H57-W64 AromaticContact CD2-CE3 3.92Å; H57-W64 AromaticContact CD2-CZ3 3.63Å; H57-L65 CarbonylContact C-O 3.57Å; H57-L65 WeakPolarHBondContact CA-O 3.35Å; H57-L65 WeakPolarHBondContact CB-O 3.21Å; H57-A66 HydrophobicContact CB-CB 4.24Å |
| 58 | V | 95.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149 | 175.5 | -61.8 | 0 | 0 | 0 | 0 | 109.2 | L65 F79 L82 Y83 | V58-L65 HydrophobicContact CG2-CB 3.81Å; V58-L65 HydrophobicContact CG2-CD1 4.1Å; V58-L65 HydrophobicContact CG2-CG 4.43Å; V58-L65 PolarHBondContact N-O 3.33Å; V58-L65 PolarHBondContact O-N 2.93Å; V58-F79 HydrophobicContact CG1-CD1 3.76Å; V58-F79 HydrophobicContact CG1-CE1 3.95Å; V58-L82 HydrophobicContact CG1-CD1 4.31Å; V58-L82 HydrophobicContact CG2-CB 4.23Å; V58-L82 HydrophobicContact CG2-CD1 4.41Å; V58-Y83 HydrophobicContact CB-CE1 4.36Å; V58-Y83 HydrophobicContact CG1-CD1 4.46Å; V58-Y83 HydrophobicContact CG1-CE1 3.72Å |
| 59 | K | 91.7 | Very high | 93.8 | Very high | 110 Ų | 110 | 45.2 Ų | 45.2 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.4 | 177.2 | -165.9 | -178.5 | -173.3 | 177.9 | 0 | 109.9 | S61 I63 W64 | K59-S61 VanDerWaalsContact CE-O 3.22Å; K59-S61 WeakPolarHBondContact CE-O 3.17Å; K59-I63 CarbonylContact C-O 3.52Å; K59-I63 WeakPolarHBondContact CA-O 3.15Å; K59-W64 HydrophobicContact CB-CD2 4.32Å; K59-W64 HydrophobicContact CB-CE3 4.04Å; K59-W64 HydrophobicContact CB-CZ3 4.18Å; K59-W64 HydrophobicContact CD-CD2 4.26Å; K59-W64 HydrophobicContact CD-CE3 4.49Å; K59-W64 HydrophobicContact CD-CH2 3.91Å; K59-W64 HydrophobicContact CD-CZ2 3.63Å; K59-W64 HydrophobicContact CD-CZ3 4.32Å; K59-W64 HydrophobicContact CG-CD2 4.05Å; K59-W64 HydrophobicContact CG-CE3 4.26Å; K59-W64 HydrophobicContact CG-CZ2 4.33Å |
| 60 | R | 89.2 | Confident | 93.9 | Very high | 99 Ų | 99 | 45.7 Ų | 45.7 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 104 | 172.6 | -67.4 | -58.8 | -169.6 | -158 | 5 | 108.5 | N62 I63 L65 | R60-N62 PolarHBondContact O-N 3.12Å; R60-I63 PolarHBondContact N-O 3.46Å; R60-I63 PolarHBondContact O-N 2.93Å; R60-L65 HydrophobicContact CB-CD1 4.43Å; R60-L65 HydrophobicContact CG-CD1 4.19Å |
| 61 | S | 87.6 | Confident | 94.1 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -110.6 | -171.1 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | K59 | K59-S61 VanDerWaalsContact CE-O 3.22Å; K59-S61 WeakPolarHBondContact CE-O 3.17Å |
| 62 | N | 90 | Very high | 94.5 | Very high | 103 Ų | 103 | 52 Ų | 52 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 7.6 | -179.6 | -70 | -14.4 | 0 | 0 | 0 | 112.9 | N9 H10 R60 | N9-N62 CarbonylContact C-O 3.56Å; H10-N62 HydrophobicContact CB-CB 4.24Å; H10-N62 PolarHBondContact N-O 3.24Å; H10-N62 VanDerWaalsContact N-O 3.11Å; R60-N62 PolarHBondContact O-N 3.12Å |
| 63 | I | 95.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.3 | -179.6 | -57.8 | -61.8 | 0 | 0 | 0 | 109.4 | I7 Y8 L15 K59 R60 L65 I96 E98 I101 | I7-I63 HydrophobicContact CG2-CG2 3.32Å; Y8-I63 WeakPolarHBondContact O-CA 3.34Å; L15-I63 HydrophobicContact CD1-CD1 3.66Å; K59-I63 CarbonylContact C-O 3.52Å; K59-I63 WeakPolarHBondContact CA-O 3.15Å; R60-I63 PolarHBondContact N-O 3.46Å; R60-I63 PolarHBondContact O-N 2.93Å; I63-L65 HydrophobicContact CG2-CD1 4.21Å; I63-I96 HydrophobicContact CG2-CG2 4.43Å; I63-E98 HydrophobicContact CD1-CB 4.04Å; I63-I101 HydrophobicContact CD1-CD1 4.12Å; I63-I101 HydrophobicContact CG1-CD1 4.22Å; I63-I101 HydrophobicContact CG2-CD1 3.89Å |
| 64 | W | 95.4 | Very high | 94.9 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.4 | 173.3 | -63.2 | 88 | 0 | 0 | 0 | 109.2 | I7 Y8 I37 V43 H57 K59 | I7-W64 CarbonylContact C-O 3.6Å; I7-W64 VanDerWaalsContact CA-O 3.29Å; I7-W64 WeakPolarHBondContact CA-O 3.49Å; Y8-W64 HydrophobicContact CD2-CB 4.48Å; Y8-W64 PolarHBondContact N-O 2.86Å; Y8-W64 PolarHBondContact O-N 3.12Å; I37-W64 HydrophobicContact CD1-CG 4.48Å; V43-W64 HydrophobicContact CG2-CH2 4.05Å; H57-W64 AromaticContact CD2-CE3 3.92Å; H57-W64 AromaticContact CD2-CZ3 3.63Å; K59-W64 HydrophobicContact CB-CD2 4.32Å; K59-W64 HydrophobicContact CB-CE3 4.04Å; K59-W64 HydrophobicContact CB-CZ3 4.18Å; K59-W64 HydrophobicContact CD-CD2 4.26Å; K59-W64 HydrophobicContact CD-CE3 4.49Å; K59-W64 HydrophobicContact CD-CH2 3.91Å; K59-W64 HydrophobicContact CD-CZ2 3.63Å; K59-W64 HydrophobicContact CD-CZ3 4.32Å; K59-W64 HydrophobicContact CG-CD2 4.05Å; K59-W64 HydrophobicContact CG-CE3 4.26Å; K59-W64 HydrophobicContact CG-CZ2 4.33Å |
| 65 | L | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.2 | 169.1 | -60.9 | 85.4 | 0 | 0 | 0 | 107.1 | I7 H57 V58 R60 I63 L82 M85 C86 | I7-L65 HydrophobicContact CG1-CG 4.4Å; H57-L65 CarbonylContact C-O 3.57Å; H57-L65 WeakPolarHBondContact CA-O 3.35Å; H57-L65 WeakPolarHBondContact CB-O 3.21Å; V58-L65 HydrophobicContact CG2-CB 3.81Å; V58-L65 HydrophobicContact CG2-CD1 4.1Å; V58-L65 HydrophobicContact CG2-CG 4.43Å; V58-L65 PolarHBondContact N-O 3.33Å; V58-L65 PolarHBondContact O-N 2.93Å; R60-L65 HydrophobicContact CB-CD1 4.43Å; R60-L65 HydrophobicContact CG-CD1 4.19Å; I63-L65 HydrophobicContact CG2-CD1 4.21Å; L65-L82 HydrophobicContact CB-CD2 4.23Å; L65-M85 HydrophobicContact CD2-CE 3.65Å; L65-M85 HydrophobicContact CD2-SD 4.03Å; L65-C86 VanDerWaalsContact CD2-SG 3.56Å |
| 66 | A | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L5 F6 Y8 F32 F56 H57 | L5-A66 WeakPolarHBondContact CA-O 3.21Å; F6-A66 PolarHBondContact N-O 3.23Å; F6-A66 PolarHBondContact O-N 3.37Å; Y8-A66 HydrophobicContact CD2-CB 4.49Å; Y8-A66 HydrophobicContact CE2-CB 3.9Å; F32-A66 HydrophobicContact CD1-CB 4.17Å; F32-A66 HydrophobicContact CD2-CB 4.35Å; F32-A66 HydrophobicContact CE1-CB 3.86Å; F32-A66 HydrophobicContact CE2-CB 4.07Å; F32-A66 HydrophobicContact CG-CB 4.4Å; F32-A66 HydrophobicContact CZ-CB 3.82Å; F56-A66 CarbonylContact O-C 3.56Å; F56-A66 VanDerWaalsContact O-CA 3.29Å; F56-A66 WeakPolarHBondContact O-CA 3.31Å; H57-A66 HydrophobicContact CB-CB 4.24Å |
| 67 | A | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | I2 G4 F56 V78 L82 | I2-A67 HydrophobicContact CG2-CB 4.15Å; G4-A67 CarbonylContact O-C 3.6Å; G4-A67 WeakPolarHBondContact O-CA 3.5Å; F56-A67 HydrophobicContact CB-CB 4.32Å; F56-A67 PolarHBondContact N-O 2.88Å; F56-A67 PolarHBondContact O-N 3.37Å; A67-V78 HydrophobicContact CB-CG1 3.55Å; A67-L82 HydrophobicContact CB-CD1 4.19Å; A67-L82 HydrophobicContact CB-CD2 4.21Å; A67-L82 HydrophobicContact CB-CG 4.39Å |
| 68 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.8 | -172.7 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | G3 G4 F6 I24 A28 T53 S54 F55 | G3-V68 WeakPolarHBondContact CA-O 3.39Å; G3-V68 PolarHBondContact N-O 3.4Å; G4-V68 PolarHBondContact N-O 2.94Å; G4-V68 PolarHBondContact O-N 3.24Å; F6-V68 HydrophobicContact CD2-CG2 3.61Å; F6-V68 HydrophobicContact CE2-CB 4.01Å; F6-V68 HydrophobicContact CE2-CG2 3.53Å; I24-V68 HydrophobicContact CD1-CG1 4Å; I24-V68 HydrophobicContact CG2-CG1 4.36Å; A28-V68 HydrophobicContact CB-CG1 4.19Å; T53-V68 HydrophobicContact CG2-CG1 3.45Å; T53-V68 VanDerWaalsContact CG2-CG1 3.45Å; S54-V68 WeakPolarHBondContact O-CA 3.34Å; F55-V68 HydrophobicContact CD1-CB 4.41Å; F55-V68 HydrophobicContact CD1-CG1 4.12Å; F55-V68 HydrophobicContact CD1-CG2 3.53Å; F55-V68 HydrophobicContact CE1-CB 4.39Å; F55-V68 HydrophobicContact CE1-CG1 3.76Å; F55-V68 HydrophobicContact CE1-CG2 3.66Å; F55-V68 HydrophobicContact CZ-CG1 4.13Å |
| 69 | T | 96.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 147.9 | 175 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | M1 S54 F56 Q71 V73 | M1-T69 PolarHBondContact O-OG1 3.49Å; S54-T69 PolarHBondContact N-O 3.2Å; S54-T69 PolarHBondContact O-N 3.06Å; F56-T69 HydrophobicContact CD2-CG2 4.36Å; F56-T69 HydrophobicContact CE2-CG2 3.66Å; T69-Q71 PolarHBondContact OG1-N 3.42Å; T69-Q71 VanDerWaalsContact OG1-N 3.09Å; T69-V73 HydrophobicContact CG2-CG1 4.3Å; T69-V73 HydrophobicContact CG2-CG2 3.73Å |
| 70 | K | 95.7 | Very high | 95.3 | Very high | 110 Ų | 110 | 53.7 Ų | 53.7 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -96.1 | -3.7 | 168.8 | -67.9 | 175.9 | 175.2 | 171.6 | 0 | 112.5 | D23 I24 T53 | D23-K70 HydrophobicContact CB-CD 4.35Å; D23-K70 VanDerWaalsContact O-CE 3.31Å; D23-K70 WeakPolarHBondContact O-CE 3.49Å; D23-K70 PolarHBondContact O-NZ 2.95Å; I24-K70 HydrophobicContact CD1-CD 4.48Å; I24-K70 HydrophobicContact CD1-CG 4.19Å; T53-K70 HydrophobicContact CG2-CG 4.11Å |
| 71 | Q | 95.1 | Very high | 95.7 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -92.6 | 155.9 | -178.4 | -61.6 | -171.8 | -21.4 | 0 | 0 | 111.3 | T69 V73 | T69-Q71 PolarHBondContact OG1-N 3.42Å; T69-Q71 VanDerWaalsContact OG1-N 3.09Å; Q71-V73 HydrophobicContact CB-CG1 4.17Å; Q71-V73 PolarHBondContact O-N 3.49Å; Q71-V73 VanDerWaalsContact O-N 3.1Å |
| 72 | N | 95.6 | Very high | 96.1 | Very high | 172 Ų | 172 | 45.2 Ų | 45.2 | 92% | 0.92 | 24% | 0.24 | S | C | * | . | trans | -79.1 | 90.6 | 171.8 | -172.3 | 11 | 0 | 0 | 0 | 109.7 | ||||
| 73 | V | 96.4 | Very high | 96.4 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 11% | 0.109 | 23% | 0.23 | C | C | . | . | trans | -102.4 | 158.4 | -179.3 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | M1 F56 T69 Q71 A75 V78 | M1-V73 VanDerWaalsContact N-CG1 3.27Å; F56-V73 HydrophobicContact CE2-CG2 3.93Å; F56-V73 HydrophobicContact CZ-CG2 3.95Å; T69-V73 HydrophobicContact CG2-CG1 4.3Å; T69-V73 HydrophobicContact CG2-CG2 3.73Å; Q71-V73 HydrophobicContact CB-CG1 4.17Å; Q71-V73 PolarHBondContact O-N 3.49Å; Q71-V73 VanDerWaalsContact O-N 3.1Å; V73-A75 PolarHBondContact O-N 2.88Å; V73-V78 HydrophobicContact CG2-CG2 3.72Å | ||
| 74 | N | 97.2 | Very high | 96.4 | Very high | 104 Ų | 104 | 48.9 Ų | 48.9 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | trans | -65.6 | 108.8 | 169.5 | -174.6 | -40.6 | 0 | 0 | 0 | 110 | A76 M77 V78 | N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 3.19Å; N74-A76 WeakPolarHBondContact OD1-CA 3.41Å; N74-A76 WeakPolarHBondContact OD1-CB 3.13Å; N74-A76 PolarHBondContact OD1-N 3.5Å; N74-M77 HydrophobicContact CB-CB 4.1Å; N74-M77 WeakPolarHBondContact O-CB 3.47Å; N74-M77 PolarHBondContact O-N 3.16Å; N74-M77 PolarHBondContact OD1-N 2.91Å; N74-V78 PolarHBondContact O-N 2.93Å | ||
| 75 | A | 96.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.6 | -39.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F56 V73 M77 V78 F79 | F56-A75 HydrophobicContact CD1-CB 4.26Å; F56-A75 HydrophobicContact CE1-CB 3.49Å; F56-A75 VanDerWaalsContact CE1-CB 3.49Å; F56-A75 HydrophobicContact CZ-CB 4.32Å; V73-A75 PolarHBondContact O-N 2.88Å; A75-M77 PolarHBondContact O-N 3.2Å; A75-V78 PolarHBondContact O-N 3Å; A75-F79 WeakPolarHBondContact O-CD2 3.43Å; A75-F79 PolarHBondContact O-N 3.4Å |
| 76 | A | 96.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 50% | 0.504 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -41.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N74 V78 F79 E80 | N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 3.19Å; N74-A76 WeakPolarHBondContact OD1-CA 3.41Å; N74-A76 WeakPolarHBondContact OD1-CB 3.13Å; N74-A76 PolarHBondContact OD1-N 3.5Å; A76-V78 VanDerWaalsContact C-N 3.31Å; A76-V78 PolarHBondContact O-N 2.98Å; A76-F79 PolarHBondContact O-N 2.79Å; A76-E80 PolarHBondContact O-N 3.36Å |
| 77 | M | 96.3 | Very high | 96.2 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 174 | 178 | -163.3 | 72.5 | 0 | 0 | 111.9 | M1 N74 A75 E80 F81 P121 | M1-M77 HydrophobicContact CE-CE 3.56Å; M1-M77 HydrophobicContact CE-SD 3.95Å; M1-M77 HydrophobicContact SD-CE 4.06Å; N74-M77 HydrophobicContact CB-CB 4.1Å; N74-M77 WeakPolarHBondContact O-CB 3.47Å; N74-M77 PolarHBondContact O-N 3.16Å; N74-M77 PolarHBondContact OD1-N 2.91Å; A75-M77 PolarHBondContact O-N 3.2Å; M77-E80 PolarHBondContact O-N 3.19Å; M77-F81 WeakPolarHBondContact O-CB 3.45Å; M77-F81 PolarHBondContact O-N 3.35Å; M77-P121 HydrophobicContact SD-CG 4.49Å |
| 78 | V | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177.7 | -180 | 0 | 0 | 0 | 0 | 111.1 | I2 F56 A67 V73 N74 A75 A76 F81 L82 | I2-V78 HydrophobicContact CD1-CG1 4.15Å; I2-V78 HydrophobicContact CD1-CG2 4.22Å; I2-V78 HydrophobicContact CG1-CG1 4.48Å; I2-V78 HydrophobicContact CG1-CG2 4.06Å; F56-V78 HydrophobicContact CB-CG1 3.67Å; F56-V78 HydrophobicContact CD1-CB 4.37Å; F56-V78 HydrophobicContact CD1-CG1 4.32Å; F56-V78 HydrophobicContact CD2-CG1 3.97Å; F56-V78 HydrophobicContact CD2-CG2 4.49Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.72Å; A67-V78 HydrophobicContact CB-CG1 3.55Å; V73-V78 HydrophobicContact CG2-CG2 3.72Å; N74-V78 PolarHBondContact O-N 2.93Å; A75-V78 PolarHBondContact O-N 3Å; A76-V78 VanDerWaalsContact C-N 3.31Å; A76-V78 PolarHBondContact O-N 2.98Å; V78-F81 PolarHBondContact O-N 3.49Å; V78-L82 HydrophobicContact CG1-CD1 4.28Å; V78-L82 WeakPolarHBondContact O-CG 3.21Å; V78-L82 PolarHBondContact O-N 2.99Å |
| 79 | F | 97.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.5 | -75.5 | -65.2 | 0 | 0 | 0 | 112.9 | P46 V47 F56 V58 A75 A76 F81 L82 Y83 | P46-F79 HydrophobicContact CB-CE1 3.98Å; P46-F79 HydrophobicContact CB-CZ 3.78Å; P46-F79 HydrophobicContact CG-CZ 4.15Å; V47-F79 HydrophobicContact CG2-CE2 3.57Å; V47-F79 HydrophobicContact CG2-CZ 3.6Å; F56-F79 HydrophobicContact CB-CE1 4.39Å; F56-F79 HydrophobicContact CB-CZ 4.21Å; F56-F79 HydrophobicContact CD1-CD2 4.47Å; F56-F79 AromaticContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CE2 3.8Å; F56-F79 HydrophobicContact CD1-CZ 4.02Å; V58-F79 HydrophobicContact CG1-CD1 3.76Å; V58-F79 HydrophobicContact CG1-CE1 3.95Å; A75-F79 WeakPolarHBondContact O-CD2 3.43Å; A75-F79 PolarHBondContact O-N 3.4Å; A76-F79 PolarHBondContact O-N 2.79Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 3.45Å; F79-L82 HydrophobicContact CD1-CD1 4.35Å; F79-L82 PolarHBondContact O-N 3.43Å; F79-Y83 HydrophobicContact CB-CD2 4.48Å; F79-Y83 HydrophobicContact CB-CE2 4.05Å; F79-Y83 WeakPolarHBondContact O-CD2 2.97Å; F79-Y83 VanDerWaalsContact O-CG 3.3Å; F79-Y83 PolarHBondContact O-N 2.87Å |
| 80 | E | 95.4 | Very high | 95.7 | Very high | 114 Ų | 114 | 54.4 Ų | 54.4 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.5 | -46.3 | 173.3 | -79.7 | -58.5 | 135.5 | 0 | 0 | 110.8 | A76 M77 L82 Y83 K84 | A76-E80 PolarHBondContact O-N 3.36Å; M77-E80 PolarHBondContact O-N 3.19Å; E80-L82 PolarHBondContact O-N 3.14Å; E80-Y83 PolarHBondContact O-N 3.25Å; E80-K84 WeakPolarHBondContact O-CB 3.48Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.2Å; E80-K84 PolarHBondContact O-N 2.96Å |
| 81 | F | 96.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 174.5 | 172.1 | -101.1 | 0 | 0 | 0 | 112.7 | I2 L5 M77 V78 F79 Y83 K84 M85 I115 L116 P121 | I2-F81 HydrophobicContact CD1-CD1 3.83Å; I2-F81 HydrophobicContact CD1-CE1 4.26Å; I2-F81 HydrophobicContact CD1-CG 4.49Å; L5-F81 HydrophobicContact CD1-CD1 4.47Å; L5-F81 HydrophobicContact CD1-CE1 3.59Å; L5-F81 HydrophobicContact CD1-CZ 4.43Å; M77-F81 WeakPolarHBondContact O-CB 3.45Å; M77-F81 PolarHBondContact O-N 3.35Å; V78-F81 PolarHBondContact O-N 3.49Å; F79-F81 VanDerWaalsContact C-N 3.29Å; F79-F81 PolarHBondContact O-N 3.45Å; F81-Y83 VanDerWaalsContact C-N 3.29Å; F81-Y83 PolarHBondContact O-N 3.04Å; F81-K84 PolarHBondContact O-N 2.89Å; F81-M85 WeakPolarHBondContact O-CB 3.23Å; F81-M85 PolarHBondContact O-N 3.14Å; F81-I115 HydrophobicContact CE2-CB 4.44Å; F81-I115 HydrophobicContact CE2-CD1 4.13Å; F81-I115 HydrophobicContact CE2-CG1 3.86Å; F81-I115 HydrophobicContact CZ-CD1 4.25Å; F81-I115 HydrophobicContact CZ-CG1 4.09Å; F81-L116 HydrophobicContact CE1-CD1 4.28Å; F81-L116 HydrophobicContact CE1-CD2 3.73Å; F81-L116 HydrophobicContact CE1-CG 4.46Å; F81-L116 HydrophobicContact CE2-CB 4.04Å; F81-L116 HydrophobicContact CE2-CD1 4.08Å; F81-L116 HydrophobicContact CE2-CG 4.47Å; F81-L116 HydrophobicContact CZ-CB 3.71Å; F81-L116 HydrophobicContact CZ-CD1 3.96Å; F81-L116 HydrophobicContact CZ-CD2 3.67Å; F81-L116 HydrophobicContact CZ-CG 4Å; F81-P121 HydrophobicContact CB-CG 4.34Å; F81-P121 HydrophobicContact CD2-CB 3.88Å; F81-P121 HydrophobicContact CD2-CG 4.16Å; F81-P121 HydrophobicContact CE2-CB 4.5Å; F81-P121 HydrophobicContact CG-CB 4.45Å; F81-P121 HydrophobicContact CG-CG 4.27Å |
| 82 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 177.7 | -75.3 | 174.3 | 0 | 0 | 0 | 112.4 | L5 F56 V58 L65 A67 V78 F79 E80 C86 | L5-L82 HydrophobicContact CD1-CD2 3.95Å; F56-L82 HydrophobicContact CB-CD1 4.44Å; V58-L82 HydrophobicContact CG1-CD1 4.31Å; V58-L82 HydrophobicContact CG2-CB 4.23Å; V58-L82 HydrophobicContact CG2-CD1 4.41Å; L65-L82 HydrophobicContact CB-CD2 4.23Å; A67-L82 HydrophobicContact CB-CD1 4.19Å; A67-L82 HydrophobicContact CB-CD2 4.21Å; A67-L82 HydrophobicContact CB-CG 4.39Å; V78-L82 HydrophobicContact CG1-CD1 4.28Å; V78-L82 WeakPolarHBondContact O-CG 3.21Å; V78-L82 PolarHBondContact O-N 2.99Å; F79-L82 HydrophobicContact CD1-CD1 4.35Å; F79-L82 PolarHBondContact O-N 3.43Å; E80-L82 PolarHBondContact O-N 3.14Å; L82-C86 PolarHBondContact O-N 3.44Å; L82-C86 PolarHBondContact O-SG 3.19Å |
| 83 | Y | 95.9 | Very high | 95.1 | Very high | 88 Ų | 88 | 41.3 Ų | 41.3 | 35% | 0.345 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.6 | -44.2 | 175.1 | -64.2 | -43 | 0 | 0 | 0 | 111.5 | V58 F79 E80 F81 M85 C86 D87 | V58-Y83 HydrophobicContact CB-CE1 4.36Å; V58-Y83 HydrophobicContact CG1-CD1 4.46Å; V58-Y83 HydrophobicContact CG1-CE1 3.72Å; F79-Y83 HydrophobicContact CB-CD2 4.48Å; F79-Y83 HydrophobicContact CB-CE2 4.05Å; F79-Y83 WeakPolarHBondContact O-CD2 2.97Å; F79-Y83 VanDerWaalsContact O-CG 3.3Å; F79-Y83 PolarHBondContact O-N 2.87Å; E80-Y83 PolarHBondContact O-N 3.25Å; F81-Y83 VanDerWaalsContact C-N 3.29Å; F81-Y83 PolarHBondContact O-N 3.04Å; Y83-M85 PolarHBondContact O-N 3.37Å; Y83-C86 WeakPolarHBondContact O-CB 3.29Å; Y83-C86 PolarHBondContact O-N 3.33Å; Y83-C86 VanDerWaalsContact O-N 3.15Å; Y83-D87 PolarHBondContact O-N 3.4Å |
| 84 | K | 94.7 | Very high | 94.9 | Very high | 97 Ų | 97 | 42.3 Ų | 42.3 | 42% | 0.422 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.5 | -71.5 | -64.7 | 177.7 | -172.1 | 0 | 112.7 | E80 F81 C86 D87 V88 | E80-K84 WeakPolarHBondContact O-CB 3.48Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.2Å; E80-K84 PolarHBondContact O-N 2.96Å; F81-K84 PolarHBondContact O-N 2.89Å; K84-C86 VanDerWaalsContact C-N 3.31Å; K84-C86 PolarHBondContact O-N 3.21Å; K84-D87 PolarHBondContact O-N 2.74Å; K84-D87 VanDerWaalsContact O-N 3.13Å; K84-V88 VanDerWaalsContact O-CG2 3.3Å; K84-V88 WeakPolarHBondContact O-CG2 3.16Å; K84-V88 PolarHBondContact O-N 3.26Å |
| 85 | M | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.2 | -44.8 | 172.8 | 177.6 | -166.8 | 154.4 | 0 | 0 | 111.3 | L5 I7 L65 F81 Y83 V88 M89 L112 I115 | L5-M85 HydrophobicContact CD1-SD 3.81Å; L5-M85 HydrophobicContact CD2-CE 3.65Å; L5-M85 HydrophobicContact CD2-SD 3.75Å; L5-M85 HydrophobicContact CG-SD 4.41Å; I7-M85 HydrophobicContact CD1-CE 3.49Å; I7-M85 VanDerWaalsContact CD1-CE 3.49Å; I7-M85 HydrophobicContact CG1-CE 4.1Å; L65-M85 HydrophobicContact CD2-CE 3.65Å; L65-M85 HydrophobicContact CD2-SD 4.03Å; F81-M85 WeakPolarHBondContact O-CB 3.23Å; F81-M85 PolarHBondContact O-N 3.14Å; Y83-M85 PolarHBondContact O-N 3.37Å; M85-V88 PolarHBondContact O-N 2.97Å; M85-M89 HydrophobicContact CE-CE 3.19Å; M85-M89 HydrophobicContact CE-SD 3.86Å; M85-M89 HydrophobicContact CG-CE 4.2Å; M85-M89 HydrophobicContact CG-SD 4.45Å; M85-M89 WeakPolarHBondContact O-CB 3.31Å; M85-M89 VanDerWaalsContact O-CG 3.3Å; M85-M89 WeakPolarHBondContact O-CG 3.46Å; M85-M89 PolarHBondContact O-N 3.45Å; M85-L112 HydrophobicContact CE-CD2 3.95Å; M85-L112 HydrophobicContact CG-CD2 4.36Å; M85-L112 HydrophobicContact SD-CD2 3.89Å; M85-I115 HydrophobicContact CB-CD1 4.3Å; M85-I115 HydrophobicContact CG-CD1 4.23Å |
| 86 | C | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 174.4 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | L65 L82 Y83 K84 M89 A90 I96 | L65-C86 VanDerWaalsContact CD2-SG 3.56Å; L82-C86 PolarHBondContact O-N 3.44Å; L82-C86 PolarHBondContact O-SG 3.19Å; Y83-C86 WeakPolarHBondContact O-CB 3.29Å; Y83-C86 PolarHBondContact O-N 3.33Å; Y83-C86 VanDerWaalsContact O-N 3.15Å; K84-C86 VanDerWaalsContact C-N 3.31Å; K84-C86 PolarHBondContact O-N 3.21Å; C86-M89 PolarHBondContact O-N 2.99Å; C86-A90 WeakPolarHBondContact O-CB 3.16Å; C86-A90 PolarHBondContact O-N 3.27Å; C86-I96 HydrophobicContact CB-CD1 3.71Å |
| 87 | D | 93.5 | Very high | 94.5 | Very high | 89 Ų | 89 | 42.1 Ų | 42.1 | 48% | 0.476 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.6 | -41 | -179.1 | -67.6 | -15.7 | 0 | 0 | 0 | 111.5 | Y83 K84 A90 A91 | Y83-D87 PolarHBondContact O-N 3.4Å; K84-D87 PolarHBondContact O-N 2.74Å; K84-D87 VanDerWaalsContact O-N 3.13Å; D87-A90 PolarHBondContact O-N 2.94Å; D87-A91 WeakPolarHBondContact O-CB 3.27Å; D87-A91 PolarHBondContact O-N 2.82Å |
| 88 | V | 93.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -51.9 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | K84 M85 A90 A91 Y92 L111 S124 L129 | K84-V88 VanDerWaalsContact O-CG2 3.3Å; K84-V88 WeakPolarHBondContact O-CG2 3.16Å; K84-V88 PolarHBondContact O-N 3.26Å; M85-V88 PolarHBondContact O-N 2.97Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.35Å; V88-A91 WeakPolarHBondContact O-CB 3.38Å; V88-A91 PolarHBondContact O-N 2.8Å; V88-Y92 HydrophobicContact CG1-CD2 3.92Å; V88-Y92 HydrophobicContact CG1-CE2 3.89Å; V88-Y92 WeakPolarHBondContact O-CD2 3.42Å; V88-Y92 PolarHBondContact O-N 3.23Å; V88-L111 HydrophobicContact CG1-CD1 4.34Å; V88-L111 HydrophobicContact CG1-CD2 4.09Å; V88-S124 WeakPolarHBondContact CG2-O 3.32Å; V88-L129 HydrophobicContact CG1-CD1 3.91Å; V88-L129 HydrophobicContact CG2-CD1 4.3Å |
| 89 | M | 94.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.1 | -46.9 | 175.5 | -79.8 | -177.8 | 172.3 | 0 | 0 | 112.1 | I7 M85 C86 A91 Y92 F93 I96 I108 | I7-M89 HydrophobicContact CD1-CE 3.89Å; I7-M89 HydrophobicContact CD1-SD 4.49Å; M85-M89 HydrophobicContact CE-CE 3.19Å; M85-M89 HydrophobicContact CE-SD 3.86Å; M85-M89 HydrophobicContact CG-CE 4.2Å; M85-M89 HydrophobicContact CG-SD 4.45Å; M85-M89 WeakPolarHBondContact O-CB 3.31Å; M85-M89 VanDerWaalsContact O-CG 3.3Å; M85-M89 WeakPolarHBondContact O-CG 3.46Å; M85-M89 PolarHBondContact O-N 3.45Å; C86-M89 PolarHBondContact O-N 2.99Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 3.18Å; M89-Y92 PolarHBondContact O-N 3.32Å; M89-Y92 VanDerWaalsContact O-N 3.15Å; M89-F93 HydrophobicContact CB-CE1 3.82Å; M89-F93 HydrophobicContact CB-CE2 4.19Å; M89-F93 HydrophobicContact CB-CZ 3.46Å; M89-F93 VanDerWaalsContact CB-CZ 3.46Å; M89-F93 HydrophobicContact CG-CE1 3.91Å; M89-F93 HydrophobicContact CG-CZ 3.7Å; M89-F93 WeakPolarHBondContact O-CD1 3.46Å; M89-F93 WeakPolarHBondContact O-CG 3.4Å; M89-F93 PolarHBondContact O-N 3.35Å; M89-F93 HydrophobicContact SD-CZ 4.15Å; M89-I96 HydrophobicContact CB-CD1 4.19Å; M89-I96 HydrophobicContact CB-CG1 4.31Å; M89-I108 HydrophobicContact CE-CB 4.37Å; M89-I108 HydrophobicContact CE-CD1 4.34Å; M89-I108 HydrophobicContact CE-CG1 4.06Å; M89-I108 HydrophobicContact CE-CG2 3.51Å |
| 90 | A | 93.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 35% | 0.347 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.8 | -31.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | C86 D87 V88 Y92 G94 | C86-A90 WeakPolarHBondContact O-CB 3.16Å; C86-A90 PolarHBondContact O-N 3.27Å; D87-A90 PolarHBondContact O-N 2.94Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.35Å; A90-Y92 VanDerWaalsContact C-N 3.34Å; A90-G94 WeakPolarHBondContact CA-O 3.05Å; A90-G94 VanDerWaalsContact CB-O 3.32Å; A90-G94 WeakPolarHBondContact CB-O 3.31Å; A90-G94 WeakPolarHBondContact O-CA 3.15Å; A90-G94 PolarHBondContact O-N 3.05Å |
| 91 | A | 90.4 | Very high | 94 | Very high | 44 Ų | 44 | 42.7 Ų | 42.7 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.5 | -25.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D87 V88 M89 T126 K130 | D87-A91 WeakPolarHBondContact O-CB 3.27Å; D87-A91 PolarHBondContact O-N 2.82Å; V88-A91 WeakPolarHBondContact O-CB 3.38Å; V88-A91 PolarHBondContact O-N 2.8Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 3.18Å; A91-T126 HydrophobicContact CB-CG2 3.63Å; A91-K130 WeakPolarHBondContact O-CE 3.2Å; A91-K130 PolarHBondContact O-NZ 3.06Å |
| 92 | Y | 91.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -83.6 | -49.8 | 176 | -88.6 | -87 | 0 | 0 | 0 | 113.2 | V88 M89 A90 L107 L111 T126 L129 K130 I133 | V88-Y92 HydrophobicContact CG1-CD2 3.92Å; V88-Y92 HydrophobicContact CG1-CE2 3.89Å; V88-Y92 WeakPolarHBondContact O-CD2 3.42Å; V88-Y92 PolarHBondContact O-N 3.23Å; M89-Y92 PolarHBondContact O-N 3.32Å; M89-Y92 VanDerWaalsContact O-N 3.15Å; A90-Y92 VanDerWaalsContact C-N 3.34Å; Y92-L107 HydrophobicContact CD1-CD1 4.14Å; Y92-L107 HydrophobicContact CD1-CD2 3.99Å; Y92-L107 HydrophobicContact CE1-CD1 4.15Å; Y92-L107 HydrophobicContact CG-CD2 4.24Å; Y92-L111 HydrophobicContact CD2-CD1 3.96Å; Y92-L111 HydrophobicContact CD2-CD2 4.17Å; Y92-L111 HydrophobicContact CE2-CD1 4.18Å; Y92-L111 HydrophobicContact CE2-CD2 3.54Å; Y92-L111 HydrophobicContact CE2-CG 4.49Å; Y92-L111 HydrophobicContact CG-CD1 4.34Å; Y92-T126 HydrophobicContact CE2-CG2 4.25Å; Y92-L129 HydrophobicContact CE2-CB 4.41Å; Y92-L129 WeakPolarHBondContact OH-CB 3.38Å; Y92-L129 PolarHBondContact OH-O 3.04Å; Y92-K130 HydrophobicContact CD1-CG 4.4Å; Y92-K130 HydrophobicContact CE1-CG 3.66Å; Y92-K130 HydrophobicContact CE2-CG 3.99Å; Y92-K130 VanDerWaalsContact CZ-CG 3.44Å; Y92-K130 VanDerWaalsContact OH-CA 3.26Å; Y92-K130 WeakPolarHBondContact OH-CA 3.35Å; Y92-K130 WeakPolarHBondContact OH-CG 3.38Å; Y92-K130 PolarHBondContact OH-N 3.28Å; Y92-K130 VanDerWaalsContact OH-N 3.08Å; Y92-I133 HydrophobicContact CE1-CG2 4.36Å; Y92-I133 WeakPolarHBondContact CE1-O 3.24Å; Y92-I133 PolarHBondContact OH-O 3.08Å |
| 93 | F | 92.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -130.9 | 12.7 | -171.3 | 56.4 | -104.1 | 0 | 0 | 0 | 114.1 | M89 K95 I96 N100 N104 L107 I108 | M89-F93 HydrophobicContact CB-CE1 3.82Å; M89-F93 HydrophobicContact CB-CE2 4.19Å; M89-F93 HydrophobicContact CB-CZ 3.46Å; M89-F93 VanDerWaalsContact CB-CZ 3.46Å; M89-F93 HydrophobicContact CG-CE1 3.91Å; M89-F93 HydrophobicContact CG-CZ 3.7Å; M89-F93 WeakPolarHBondContact O-CD1 3.46Å; M89-F93 WeakPolarHBondContact O-CG 3.4Å; M89-F93 PolarHBondContact O-N 3.35Å; M89-F93 HydrophobicContact SD-CZ 4.15Å; F93-K95 PolarHBondContact O-N 3.22Å; F93-I96 HydrophobicContact CE2-CG1 4.44Å; F93-N100 HydrophobicContact CD2-CB 3.83Å; F93-N100 HydrophobicContact CE2-CB 4.1Å; F93-N100 PolarHBondContact O-ND2 3.19Å; F93-N104 HydrophobicContact CD1-CB 4.17Å; F93-N104 HydrophobicContact CE1-CB 4.45Å; F93-L107 HydrophobicContact CD1-CD2 4.24Å; F93-I108 HydrophobicContact CE1-CD1 4.22Å; F93-I108 HydrophobicContact CE1-CG1 4.07Å; F93-I108 HydrophobicContact CZ-CD1 4.2Å; F93-I108 HydrophobicContact CZ-CG1 4.47Å |
| 94 | G | 92 | Very high | 93.7 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 78.1 | -118.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A90 I96 | A90-G94 WeakPolarHBondContact CA-O 3.05Å; A90-G94 VanDerWaalsContact CB-O 3.32Å; A90-G94 WeakPolarHBondContact CB-O 3.31Å; A90-G94 WeakPolarHBondContact O-CA 3.15Å; A90-G94 PolarHBondContact O-N 3.05Å; G94-I96 PolarHBondContact O-N 2.93Å |
| 95 | K | 92.3 | Very high | 93.6 | Very high | 151 Ų | 151 | 47.7 Ų | 47.7 | 66% | 0.657 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -68 | 133.7 | -173.8 | -172.6 | 179.2 | 178.1 | -175.5 | 0 | 110.7 | F93 S97 N100 | F93-K95 PolarHBondContact O-N 3.22Å; K95-S97 PolarHBondContact O-N 2.9Å; K95-N100 PolarHBondContact O-ND2 3.27Å |
| 96 | I | 93.6 | Very high | 93.5 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | trans | -81.9 | 98.7 | 171.8 | -53.7 | 175.1 | 0 | 0 | 0 | 108.5 | I63 C86 M89 F93 G94 I101 | I63-I96 HydrophobicContact CG2-CG2 4.43Å; C86-I96 HydrophobicContact CB-CD1 3.71Å; M89-I96 HydrophobicContact CB-CD1 4.19Å; M89-I96 HydrophobicContact CB-CG1 4.31Å; F93-I96 HydrophobicContact CE2-CG1 4.44Å; G94-I96 PolarHBondContact O-N 2.93Å; I96-I101 HydrophobicContact CG2-CD1 4.05Å; I96-I101 HydrophobicContact CG2-CG1 4.49Å | ||
| 97 | S | 94.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | trans | -125.8 | 163.7 | 176 | 66.7 | 0 | 0 | 0 | 0 | 110.3 | K95 E99 N100 I101 | K95-S97 PolarHBondContact O-N 2.9Å; S97-E99 VanDerWaalsContact C-N 3.28Å; S97-E99 PolarHBondContact O-N 3.19Å; S97-N100 PolarHBondContact O-N 2.91Å; S97-N100 WeakPolarHBondContact OG-CB 3.38Å; S97-N100 PolarHBondContact OG-N 3.17Å; S97-N100 VanDerWaalsContact OG-N 3.15Å; S97-I101 WeakPolarHBondContact O-CG1 3.2Å; S97-I101 PolarHBondContact O-N 3.45Å | ||
| 98 | E | 95.3 | Very high | 93.5 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.6 | -43.1 | 175.1 | 179.3 | 169.8 | 170 | 0 | 0 | 112 | N9 L15 I63 I101 K102 | N9-E98 WeakPolarHBondContact CB-OE2 3.09Å; L15-E98 HydrophobicContact CD1-CB 4.23Å; L15-E98 HydrophobicContact CD1-CG 3.99Å; L15-E98 HydrophobicContact CD2-CG 3.85Å; I63-E98 HydrophobicContact CD1-CB 4.04Å; E98-I101 PolarHBondContact O-N 2.86Å; E98-K102 HydrophobicContact CG-CD 4.27Å; E98-K102 WeakPolarHBondContact O-CG 3.31Å; E98-K102 PolarHBondContact O-N 3.4Å; E98-K102 VanDerWaalsContact OE1-CE 3.3Å; E98-K102 WeakPolarHBondContact OE1-CE 3.22Å; E98-K102 IonicContact OE1-NZ 2.68Å; E98-K102 PolarHBondContact OE1-NZ 2.89Å |
| 99 | E | 94.3 | Very high | 93.6 | Very high | 131 Ų | 131 | 52.9 Ų | 52.9 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59 | -49.7 | 175.4 | -179.1 | -175.5 | 175.7 | 0 | 0 | 112 | S97 I101 K102 N103 | S97-E99 VanDerWaalsContact C-N 3.28Å; S97-E99 PolarHBondContact O-N 3.19Å; E99-I101 VanDerWaalsContact C-N 3.32Å; E99-I101 PolarHBondContact O-N 3.47Å; E99-K102 PolarHBondContact O-N 2.87Å; E99-K102 VanDerWaalsContact O-N 3.13Å; E99-N103 WeakPolarHBondContact O-CB 3.45Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 3.36Å |
| 100 | N | 94.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 19% | 0.193 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | -178.1 | -76.7 | -3.9 | 0 | 0 | 0 | 112.1 | F93 K95 S97 N104 | F93-N100 HydrophobicContact CD2-CB 3.83Å; F93-N100 HydrophobicContact CE2-CB 4.1Å; F93-N100 PolarHBondContact O-ND2 3.19Å; K95-N100 PolarHBondContact O-ND2 3.27Å; S97-N100 PolarHBondContact O-N 2.91Å; S97-N100 WeakPolarHBondContact OG-CB 3.38Å; S97-N100 PolarHBondContact OG-N 3.17Å; S97-N100 VanDerWaalsContact OG-N 3.15Å; N100-N104 WeakPolarHBondContact O-CB 3.42Å; N100-N104 PolarHBondContact O-N 3.5Å; N100-N104 VanDerWaalsContact O-N 3.15Å; N100-N104 PolarHBondContact O-ND2 3.22Å |
| 101 | I | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 173.1 | -69.4 | 161.8 | 0 | 0 | 0 | 110.2 | I7 L15 I16 I63 I96 S97 E98 E99 N103 N104 F105 I108 | I7-I101 HydrophobicContact CG2-CD1 3.81Å; L15-I101 HydrophobicContact CB-CG2 3.9Å; L15-I101 HydrophobicContact CD1-CB 4.45Å; L15-I101 HydrophobicContact CD1-CD1 3.91Å; L15-I101 HydrophobicContact CD1-CG2 4.33Å; I16-I101 HydrophobicContact CD1-CG2 4.4Å; I16-I101 HydrophobicContact CG1-CG2 3.87Å; I63-I101 HydrophobicContact CD1-CD1 4.12Å; I63-I101 HydrophobicContact CG1-CD1 4.22Å; I63-I101 HydrophobicContact CG2-CD1 3.89Å; I96-I101 HydrophobicContact CG2-CD1 4.05Å; I96-I101 HydrophobicContact CG2-CG1 4.49Å; S97-I101 WeakPolarHBondContact O-CG1 3.2Å; S97-I101 PolarHBondContact O-N 3.45Å; E98-I101 PolarHBondContact O-N 2.86Å; E99-I101 VanDerWaalsContact C-N 3.32Å; E99-I101 PolarHBondContact O-N 3.47Å; I101-N103 PolarHBondContact O-N 2.8Å; I101-N104 CarbonylContact O-C 3.55Å; I101-N104 PolarHBondContact O-N 2.82Å; I101-F105 HydrophobicContact CG2-CE1 3.93Å; I101-F105 HydrophobicContact CG2-CZ 4.25Å; I101-F105 PolarHBondContact O-N 3.35Å; I101-I108 HydrophobicContact CB-CD1 4.16Å; I101-I108 HydrophobicContact CG1-CD1 4.18Å; I101-I108 HydrophobicContact CG2-CD1 3.93Å |
| 102 | K | 93.9 | Very high | 94 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 179.9 | -70.7 | 179.6 | -176.6 | 174.1 | 0 | 112.9 | E98 E99 N104 F105 | E98-K102 HydrophobicContact CG-CD 4.27Å; E98-K102 WeakPolarHBondContact O-CG 3.31Å; E98-K102 PolarHBondContact O-N 3.4Å; E98-K102 VanDerWaalsContact OE1-CE 3.3Å; E98-K102 WeakPolarHBondContact OE1-CE 3.22Å; E98-K102 IonicContact OE1-NZ 2.68Å; E98-K102 PolarHBondContact OE1-NZ 2.89Å; E99-K102 PolarHBondContact O-N 2.87Å; E99-K102 VanDerWaalsContact O-N 3.13Å; K102-N104 VanDerWaalsContact C-N 3.25Å; K102-N104 PolarHBondContact O-N 3.29Å; K102-F105 HydrophobicContact CB-CD2 4.34Å; K102-F105 HydrophobicContact CB-CE2 3.88Å; K102-F105 HydrophobicContact CG-CE2 3.69Å; K102-F105 HydrophobicContact CG-CZ 4.06Å; K102-F105 WeakPolarHBondContact O-CD2 3.05Å |
| 103 | N | 94.4 | Very high | 94.1 | Very high | 113 Ų | 113 | 54.8 Ų | 54.8 | 60% | 0.604 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -73.2 | -18.3 | -178.9 | -65.5 | -12.1 | 0 | 0 | 0 | 113 | E99 I101 | E99-N103 WeakPolarHBondContact O-CB 3.45Å; E99-N103 VanDerWaalsContact O-CG 3.25Å; E99-N103 PolarHBondContact O-N 3.36Å; I101-N103 PolarHBondContact O-N 2.8Å |
| 104 | N | 94.3 | Very high | 94.2 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 24.6 | -176.6 | -64.5 | -87.4 | 0 | 0 | 0 | 112.8 | F93 N100 I101 K102 V106 L107 I108 Q135 | F93-N104 HydrophobicContact CD1-CB 4.17Å; F93-N104 HydrophobicContact CE1-CB 4.45Å; N100-N104 WeakPolarHBondContact O-CB 3.42Å; N100-N104 PolarHBondContact O-N 3.5Å; N100-N104 VanDerWaalsContact O-N 3.15Å; N100-N104 PolarHBondContact O-ND2 3.22Å; I101-N104 CarbonylContact O-C 3.55Å; I101-N104 PolarHBondContact O-N 2.82Å; K102-N104 VanDerWaalsContact C-N 3.25Å; K102-N104 PolarHBondContact O-N 3.29Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 2.93Å; N104-L107 HydrophobicContact CB-CB 4.45Å; N104-L107 HydrophobicContact CB-CD2 4.39Å; N104-L107 PolarHBondContact O-N 2.93Å; N104-I108 HydrophobicContact CB-CD1 4.34Å; N104-I108 HydrophobicContact CB-CG1 4.44Å; N104-I108 WeakPolarHBondContact O-CG1 3.27Å; N104-I108 PolarHBondContact O-N 2.86Å; N104-Q135 PolarHBondContact OD1-NE2 3.06Å |
| 105 | F | 93.5 | Very high | 94.4 | Very high | 63 Ų | 63 | 55.8 Ų | 55.8 | 28% | 0.276 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -52.9 | -46.9 | -174.2 | -93.8 | -55.2 | 0 | 0 | 0 | 114 | L15 I16 I101 K102 I108 Y109 | L15-F105 WeakPolarHBondContact O-CE1 3.3Å; L15-F105 WeakPolarHBondContact O-CZ 3.27Å; I16-F105 HydrophobicContact CD1-CD1 3.24Å; I16-F105 HydrophobicContact CD1-CE1 3.31Å; I16-F105 HydrophobicContact CG1-CD1 4.25Å; I16-F105 HydrophobicContact CG1-CE1 3.84Å; I101-F105 HydrophobicContact CG2-CE1 3.93Å; I101-F105 HydrophobicContact CG2-CZ 4.25Å; I101-F105 PolarHBondContact O-N 3.35Å; K102-F105 HydrophobicContact CB-CD2 4.34Å; K102-F105 HydrophobicContact CB-CE2 3.88Å; K102-F105 HydrophobicContact CG-CE2 3.69Å; K102-F105 HydrophobicContact CG-CZ 4.06Å; K102-F105 WeakPolarHBondContact O-CD2 3.05Å; F105-I108 PolarHBondContact O-N 3.26Å; F105-Y109 HydrophobicContact CD1-CE2 4.21Å; F105-Y109 WeakPolarHBondContact O-CD2 3.36Å; F105-Y109 PolarHBondContact O-N 2.77Å |
| 106 | V | 93 | Very high | 94.6 | Very high | 120 Ų | 120 | 48.7 Ų | 48.7 | 73% | 0.727 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.9 | -51.3 | -179.2 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | N104 I108 Y109 E110 | N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 2.93Å; V106-I108 VanDerWaalsContact C-N 3.28Å; V106-I108 PolarHBondContact O-N 3.46Å; V106-Y109 PolarHBondContact O-N 3.1Å; V106-E110 PolarHBondContact O-N 3.07Å |
| 107 | L | 92.7 | Very high | 94.6 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.5 | -42.3 | 176.4 | 171.9 | 68.2 | 0 | 0 | 0 | 111.9 | Y92 F93 N104 E110 L111 I133 Q135 | Y92-L107 HydrophobicContact CD1-CD1 4.14Å; Y92-L107 HydrophobicContact CD1-CD2 3.99Å; Y92-L107 HydrophobicContact CE1-CD1 4.15Å; Y92-L107 HydrophobicContact CG-CD2 4.24Å; F93-L107 HydrophobicContact CD1-CD2 4.24Å; N104-L107 HydrophobicContact CB-CB 4.45Å; N104-L107 HydrophobicContact CB-CD2 4.39Å; N104-L107 PolarHBondContact O-N 2.93Å; L107-E110 PolarHBondContact O-N 3.17Å; L107-L111 HydrophobicContact CD1-CD1 4.02Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CD2-CD1 4.42Å; L107-L111 HydrophobicContact CG-CD1 3.85Å; L107-L111 HydrophobicContact CG-CG 4.28Å; L107-L111 WeakPolarHBondContact O-CB 3.03Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 3.32Å; L107-I133 HydrophobicContact CD1-CG2 3.33Å; L107-Q135 HydrophobicContact CD2-CG 3.69Å; L107-Q135 VanDerWaalsContact CD2-NE2 3.28Å |
| 108 | I | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | -179 | -68.3 | 169 | 0 | 0 | 0 | 110.7 | I16 M89 F93 I101 N104 F105 V106 L111 L112 | I16-I108 HydrophobicContact CD1-CB 4.1Å; I16-I108 HydrophobicContact CD1-CG2 3.58Å; I16-I108 HydrophobicContact CG1-CG2 3.97Å; M89-I108 HydrophobicContact CE-CB 4.37Å; M89-I108 HydrophobicContact CE-CD1 4.34Å; M89-I108 HydrophobicContact CE-CG1 4.06Å; M89-I108 HydrophobicContact CE-CG2 3.51Å; F93-I108 HydrophobicContact CE1-CD1 4.22Å; F93-I108 HydrophobicContact CE1-CG1 4.07Å; F93-I108 HydrophobicContact CZ-CD1 4.2Å; F93-I108 HydrophobicContact CZ-CG1 4.47Å; I101-I108 HydrophobicContact CB-CD1 4.16Å; I101-I108 HydrophobicContact CG1-CD1 4.18Å; I101-I108 HydrophobicContact CG2-CD1 3.93Å; N104-I108 HydrophobicContact CB-CD1 4.34Å; N104-I108 HydrophobicContact CB-CG1 4.44Å; N104-I108 WeakPolarHBondContact O-CG1 3.27Å; N104-I108 PolarHBondContact O-N 2.86Å; F105-I108 PolarHBondContact O-N 3.26Å; V106-I108 VanDerWaalsContact C-N 3.28Å; V106-I108 PolarHBondContact O-N 3.46Å; I108-L111 PolarHBondContact O-N 3.25Å; I108-L112 HydrophobicContact CG2-CD1 3.98Å; I108-L112 HydrophobicContact CG2-CG 4.23Å; I108-L112 VanDerWaalsContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CB 3.08Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 3.15Å |
| 109 | Y | 95.6 | Very high | 94.5 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 29% | 0.29 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.3 | -79.9 | -63.8 | 0 | 0 | 0 | 112 | I16 F105 V106 L112 D113 | I16-Y109 HydrophobicContact CD1-CE2 4.04Å; I16-Y109 HydrophobicContact CG2-CE1 4.2Å; F105-Y109 HydrophobicContact CD1-CE2 4.21Å; F105-Y109 WeakPolarHBondContact O-CD2 3.36Å; F105-Y109 PolarHBondContact O-N 2.77Å; V106-Y109 PolarHBondContact O-N 3.1Å; Y109-L112 PolarHBondContact O-N 3.03Å; Y109-D113 PolarHBondContact O-N 3.11Å |
| 110 | E | 94.6 | Very high | 94.5 | Very high | 85 Ų | 85 | 53 Ų | 53 | 40% | 0.397 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.9 | -171.9 | 177.6 | -167.7 | 0 | 0 | 111.8 | V106 L107 L112 D113 E114 I133 | V106-E110 PolarHBondContact O-N 3.07Å; L107-E110 PolarHBondContact O-N 3.17Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 3.07Å; E110-D113 PolarHBondContact O-N 2.85Å; E110-E114 PolarHBondContact O-N 2.94Å; E110-E114 VanDerWaalsContact O-N 3.08Å; E110-I133 HydrophobicContact CG-CD1 4.24Å; E110-I133 HydrophobicContact CG-CG1 4.15Å; E110-I133 HydrophobicContact CG-CG2 4.22Å |
| 111 | L | 95.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 175.3 | -74 | 171.2 | 0 | 0 | 0 | 111.9 | V88 Y92 L107 I108 D113 E114 I115 L129 I133 | V88-L111 HydrophobicContact CG1-CD1 4.34Å; V88-L111 HydrophobicContact CG1-CD2 4.09Å; Y92-L111 HydrophobicContact CD2-CD1 3.96Å; Y92-L111 HydrophobicContact CD2-CD2 4.17Å; Y92-L111 HydrophobicContact CE2-CD1 4.18Å; Y92-L111 HydrophobicContact CE2-CD2 3.54Å; Y92-L111 HydrophobicContact CE2-CG 4.49Å; Y92-L111 HydrophobicContact CG-CD1 4.34Å; L107-L111 HydrophobicContact CD1-CD1 4.02Å; L107-L111 HydrophobicContact CD1-CG 4.03Å; L107-L111 HydrophobicContact CD2-CD1 4.42Å; L107-L111 HydrophobicContact CG-CD1 3.85Å; L107-L111 HydrophobicContact CG-CG 4.28Å; L107-L111 WeakPolarHBondContact O-CB 3.03Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 3.32Å; I108-L111 PolarHBondContact O-N 3.25Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-E114 PolarHBondContact O-N 3.39Å; L111-I115 WeakPolarHBondContact O-CG1 3.04Å; L111-I115 WeakPolarHBondContact O-CG2 3.4Å; L111-I115 PolarHBondContact O-N 3.43Å; L111-L129 HydrophobicContact CD2-CD1 4.33Å; L111-I133 HydrophobicContact CD2-CB 4.48Å; L111-I133 HydrophobicContact CD2-CD1 3.8Å; L111-I133 HydrophobicContact CD2-CG2 3.94Å; L111-I133 HydrophobicContact CG-CG2 4.22Å |
| 112 | L | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | -178.7 | -79.6 | -178.8 | 0 | 0 | 0 | 112.2 | L5 I16 R18 Y20 M85 I108 Y109 E110 E114 I115 L116 | L5-L112 HydrophobicContact CD2-CD1 4.23Å; L5-L112 HydrophobicContact CD2-CD2 3.98Å; I16-L112 HydrophobicContact CG2-CD1 3.74Å; R18-L112 HydrophobicContact CB-CD1 3.98Å; R18-L112 HydrophobicContact CG-CB 4.5Å; R18-L112 HydrophobicContact CG-CD1 4.43Å; Y20-L112 WeakPolarHBondContact OH-CB 3.48Å; Y20-L112 PolarHBondContact OH-O 2.99Å; M85-L112 HydrophobicContact CE-CD2 3.95Å; M85-L112 HydrophobicContact CG-CD2 4.36Å; M85-L112 HydrophobicContact SD-CD2 3.89Å; I108-L112 HydrophobicContact CG2-CD1 3.98Å; I108-L112 HydrophobicContact CG2-CG 4.23Å; I108-L112 VanDerWaalsContact O-CB 3.31Å; I108-L112 WeakPolarHBondContact O-CB 3.08Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 3.15Å; Y109-L112 PolarHBondContact O-N 3.03Å; E110-L112 VanDerWaalsContact C-N 3.34Å; E110-L112 PolarHBondContact O-N 3.07Å; L112-E114 VanDerWaalsContact C-N 3.33Å; L112-I115 HydrophobicContact CD2-CD1 4.46Å; L112-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact O-N 3.12Å |
| 113 | D | 94.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 177.8 | -72.9 | -16.9 | 0 | 0 | 0 | 112.3 | R18 Y109 E110 L111 | R18-D113 VanDerWaalsContact CZ-CG 3.5Å; R18-D113 IonicContact CZ-OD1 3.7Å; R18-D113 IonicContact CZ-OD2 3.42Å; R18-D113 VanDerWaalsContact CZ-OD2 3.22Å; R18-D113 IonicContact NE-OD1 2.93Å; R18-D113 PolarHBondContact NE-OD1 3.46Å; R18-D113 IonicContact NE-OD2 3.22Å; R18-D113 IonicContact NH1-OD2 3.76Å; R18-D113 IonicContact NH2-OD1 2.67Å; R18-D113 PolarHBondContact NH2-OD1 3.14Å; R18-D113 IonicContact NH2-OD2 2.69Å; R18-D113 PolarHBondContact NH2-OD2 3.06Å; Y109-D113 PolarHBondContact O-N 3.11Å; E110-D113 PolarHBondContact O-N 2.85Å; L111-D113 VanDerWaalsContact C-N 3.33Å |
| 114 | E | 93.7 | Very high | 93.9 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -75.9 | -43.2 | 177.5 | -170.2 | 63.7 | -155.6 | 0 | 0 | 112.7 | E110 L111 L112 Q122 L129 F132 I133 | E110-E114 PolarHBondContact O-N 2.94Å; E110-E114 VanDerWaalsContact O-N 3.08Å; L111-E114 PolarHBondContact O-N 3.39Å; L112-E114 VanDerWaalsContact C-N 3.33Å; E114-Q122 WeakPolarHBondContact O-CB 3.47Å; E114-L129 HydrophobicContact CB-CD2 4.43Å; E114-L129 HydrophobicContact CG-CD2 3.67Å; E114-F132 HydrophobicContact CG-CE2 3.77Å; E114-F132 HydrophobicContact CG-CZ 4.11Å; E114-I133 HydrophobicContact CB-CD1 3.85Å; E114-I133 HydrophobicContact CG-CD1 4.05Å |
| 115 | I | 95.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85.5 | -9.7 | -173.8 | 72.7 | -173.3 | 0 | 0 | 0 | 113.5 | F81 M85 L111 L112 Q122 L129 | F81-I115 HydrophobicContact CE2-CB 4.44Å; F81-I115 HydrophobicContact CE2-CD1 4.13Å; F81-I115 HydrophobicContact CE2-CG1 3.86Å; F81-I115 HydrophobicContact CZ-CD1 4.25Å; F81-I115 HydrophobicContact CZ-CG1 4.09Å; M85-I115 HydrophobicContact CB-CD1 4.3Å; M85-I115 HydrophobicContact CG-CD1 4.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.04Å; L111-I115 WeakPolarHBondContact O-CG2 3.4Å; L111-I115 PolarHBondContact O-N 3.43Å; L112-I115 HydrophobicContact CD2-CD1 4.46Å; I115-Q122 PolarHBondContact O-N 2.93Å; I115-L129 HydrophobicContact CG2-CD1 3.73Å; I115-L129 HydrophobicContact CG2-CD2 4.14Å |
| 116 | L | 96.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 98.1 | -178.1 | -169.5 | 68.8 | 0 | 0 | 0 | 110.7 | I2 Y20 F81 L112 G119 P121 | I2-L116 HydrophobicContact CB-CD2 4.37Å; I2-L116 HydrophobicContact CD1-CD1 4.26Å; I2-L116 HydrophobicContact CD1-CD2 4.33Å; I2-L116 HydrophobicContact CG2-CD2 4.23Å; Y20-L116 WeakPolarHBondContact CD1-O 3.42Å; Y20-L116 HydrophobicContact CD2-CD2 3.75Å; Y20-L116 HydrophobicContact CD2-CG 4.43Å; Y20-L116 HydrophobicContact CE1-CB 4.2Å; Y20-L116 HydrophobicContact CE1-CD2 4.24Å; Y20-L116 HydrophobicContact CE1-CG 4.19Å; Y20-L116 WeakPolarHBondContact CE1-O 3.41Å; Y20-L116 HydrophobicContact CE2-CD2 3.27Å; Y20-L116 HydrophobicContact CE2-CG 4.09Å; Y20-L116 HydrophobicContact CG-CD2 4.41Å; F81-L116 HydrophobicContact CE1-CD1 4.28Å; F81-L116 HydrophobicContact CE1-CD2 3.73Å; F81-L116 HydrophobicContact CE1-CG 4.46Å; F81-L116 HydrophobicContact CE2-CB 4.04Å; F81-L116 HydrophobicContact CE2-CD1 4.08Å; F81-L116 HydrophobicContact CE2-CG 4.47Å; F81-L116 HydrophobicContact CZ-CB 3.71Å; F81-L116 HydrophobicContact CZ-CD1 3.96Å; F81-L116 HydrophobicContact CZ-CD2 3.67Å; F81-L116 HydrophobicContact CZ-CG 4Å; L112-L116 PolarHBondContact O-N 3.04Å; L112-L116 VanDerWaalsContact O-N 3.12Å; L116-G119 VanDerWaalsContact CD1-C 3.5Å; L116-P121 HydrophobicContact CD1-CB 4.28Å; L116-P121 HydrophobicContact CD1-CG 3.88Å |
| 117 | D | 95 | Very high | 92.5 | Very high | 102 Ų | 102 | 47.3 Ų | 47.3 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126 | 178 | -176.8 | 19.4 | 0 | 0 | 0 | 110.8 | G119 Y120 Q122 | D117-G119 PolarHBondContact O-N 2.68Å; D117-Y120 PolarHBondContact N-O 2.97Å; D117-Y120 VanDerWaalsContact N-O 3.1Å; D117-Y120 WeakPolarHBondContact O-CA 3.47Å; D117-Y120 WeakPolarHBondContact O-CB 3.41Å; D117-Y120 WeakPolarHBondContact O-CD2 3.49Å; D117-Y120 PolarHBondContact O-N 3.26Å; D117-Q122 HydrophobicContact CB-CG 4.1Å |
| 118 | F | 94.4 | Very high | 92 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 41.3 | -178.3 | -161.3 | -123 | 0 | 0 | 0 | 111.3 | Y20 R21 Y120 | Y20-F118 WeakPolarHBondContact O-CD2 3.43Å; Y20-F118 WeakPolarHBondContact O-CE2 3.37Å; R21-F118 PolarHBondContact NH1-O 3.32Å; R21-F118 VanDerWaalsContact NH2-CE1 3.25Å; R21-F118 PolarHBondContact NH2-O 3.31Å; F118-Y120 VanDerWaalsContact C-N 3.26Å; F118-Y120 HydrophobicContact CB-CD2 4.31Å; F118-Y120 HydrophobicContact CD1-CD2 4.48Å; F118-Y120 AromaticContact CD1-CE2 3.95Å; F118-Y120 HydrophobicContact CD1-CE2 3.95Å; F118-Y120 WeakPolarHBondContact O-CD2 3.45Å; F118-Y120 WeakPolarHBondContact O-CE2 3.06Å; F118-Y120 PolarHBondContact O-N 3.11Å |
| 119 | G | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -1.5 | 179 | 0 | 0 | 0 | 0 | 0 | 116.4 | M1 I2 L116 D117 P121 | M1-G119 WeakPolarHBondContact CB-O 3.45Å; M1-G119 WeakPolarHBondContact CE-O 3.21Å; I2-G119 PolarHBondContact N-O 3.15Å; I2-G119 WeakPolarHBondContact O-CA 3.35Å; L116-G119 VanDerWaalsContact CD1-C 3.5Å; D117-G119 PolarHBondContact O-N 2.68Å; G119-P121 WeakPolarHBondContact O-CD 3.45Å |
| 120 | Y | 94.7 | Very high | 91.1 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 114.4 | 175.8 | -63.4 | -91.3 | 0 | 0 | 0 | 109.9 | M1 D117 F118 Q122 | M1-Y120 HydrophobicContact CB-CE1 4.49Å; M1-Y120 HydrophobicContact CB-CE2 4.49Å; M1-Y120 HydrophobicContact CE-CD1 3.75Å; M1-Y120 HydrophobicContact CE-CE1 4.35Å; M1-Y120 HydrophobicContact CE-CG 4.25Å; M1-Y120 HydrophobicContact CG-CD1 3.59Å; M1-Y120 HydrophobicContact CG-CD2 4.32Å; M1-Y120 HydrophobicContact CG-CE1 3.34Å; M1-Y120 HydrophobicContact CG-CE2 4.09Å; M1-Y120 HydrophobicContact CG-CG 4.06Å; M1-Y120 HydrophobicContact SD-CD1 4.22Å; M1-Y120 HydrophobicContact SD-CE1 4.22Å; D117-Y120 PolarHBondContact N-O 2.97Å; D117-Y120 VanDerWaalsContact N-O 3.1Å; D117-Y120 WeakPolarHBondContact O-CA 3.47Å; D117-Y120 WeakPolarHBondContact O-CB 3.41Å; D117-Y120 WeakPolarHBondContact O-CD2 3.49Å; D117-Y120 PolarHBondContact O-N 3.26Å; F118-Y120 VanDerWaalsContact C-N 3.26Å; F118-Y120 HydrophobicContact CB-CD2 4.31Å; F118-Y120 HydrophobicContact CD1-CD2 4.48Å; F118-Y120 AromaticContact CD1-CE2 3.95Å; F118-Y120 HydrophobicContact CD1-CE2 3.95Å; F118-Y120 WeakPolarHBondContact O-CD2 3.45Å; F118-Y120 WeakPolarHBondContact O-CE2 3.06Å; F118-Y120 PolarHBondContact O-N 3.11Å; Y120-Q122 PolarHBondContact O-N 2.99Å; Y120-Q122 PolarHBondContact O-NE2 2.94Å |
| 121 | P | 95.6 | Very high | 90.4 | Very high | 43 Ų | 43 | 45.3 Ų | 45.3 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 126.7 | 176.3 | -26.2 | 35.7 | 0 | 0 | 0 | 110.5 | M1 M77 F81 L116 G119 | M1-P121 VanDerWaalsContact CE-CD 3.48Å; M77-P121 HydrophobicContact SD-CG 4.49Å; F81-P121 HydrophobicContact CB-CG 4.34Å; F81-P121 HydrophobicContact CD2-CB 3.88Å; F81-P121 HydrophobicContact CD2-CG 4.16Å; F81-P121 HydrophobicContact CE2-CB 4.5Å; F81-P121 HydrophobicContact CG-CB 4.45Å; F81-P121 HydrophobicContact CG-CG 4.27Å; L116-P121 HydrophobicContact CD1-CB 4.28Å; L116-P121 HydrophobicContact CD1-CG 3.88Å; G119-P121 WeakPolarHBondContact O-CD 3.45Å |
| 122 | Q | 93.5 | Very high | 89.8 | Confident | 93 Ų | 93 | 47.6 Ų | 47.6 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | trans | -99.8 | -171.8 | 177.1 | -57.7 | -57 | -29.9 | 0 | 0 | 110.2 | E114 I115 D117 Y120 S124 | E114-Q122 WeakPolarHBondContact O-CB 3.47Å; I115-Q122 PolarHBondContact O-N 2.93Å; D117-Q122 HydrophobicContact CB-CG 4.1Å; Y120-Q122 PolarHBondContact O-N 2.99Å; Y120-Q122 PolarHBondContact O-NE2 2.94Å; Q122-S124 PolarHBondContact O-N 2.8Å; Q122-S124 VanDerWaalsContact O-N 3.16Å | ||
| 123 | N | 86.1 | Confident | 89.3 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | trans | -64.5 | 114.7 | 176.8 | -172.4 | -17.5 | 0 | 0 | 0 | 110.7 | E125 | N123-E125 WeakPolarHBondContact OD1-CB 3.46Å; N123-E125 WeakPolarHBondContact OD1-CG 3.36Å; N123-E125 PolarHBondContact OD1-N 3.35Å | ||
| 124 | S | 89.9 | Confident | 88.6 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | trans | -105.7 | 29.2 | 179.5 | 75.5 | 0 | 0 | 0 | 0 | 112.9 | V88 Q122 T126 | V88-S124 WeakPolarHBondContact CG2-O 3.32Å; Q122-S124 PolarHBondContact O-N 2.8Å; Q122-S124 VanDerWaalsContact O-N 3.16Å; S124-T126 PolarHBondContact O-N 2.87Å | ||
| 125 | E | 86.3 | Confident | 87.5 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | trans | -74.2 | 107.5 | 178.2 | -76.5 | -139.6 | -131.1 | 0 | 0 | 111.8 | N123 G127 A128 L129 W159 Q248 | N123-E125 WeakPolarHBondContact OD1-CB 3.46Å; N123-E125 WeakPolarHBondContact OD1-CG 3.36Å; N123-E125 PolarHBondContact OD1-N 3.35Å; E125-G127 PolarHBondContact O-N 3.25Å; E125-G127 VanDerWaalsContact O-N 3.07Å; E125-A128 HydrophobicContact CB-CB 4.33Å; E125-A128 PolarHBondContact O-N 3.06Å; E125-L129 WeakPolarHBondContact O-CG 3.3Å; E125-L129 PolarHBondContact O-N 3.33Å; E125-W159 PolarHBondContact OE1-N 3.24Å; E125-W159 WeakPolarHBondContact OE2-CA 3.43Å; E125-W159 WeakPolarHBondContact OE2-CB 3.34Å; E125-Q248 PolarHBondContact OE1-NE2 2.8Å; E125-Q248 PolarHBondContact OE2-NE2 2.91Å | ||
| 126 | T | 85.8 | Confident | 86 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.9 | -35.6 | -178.6 | -48.1 | 0 | 0 | 0 | 0 | 113.6 | A91 Y92 S124 A128 L129 K130 | A91-T126 HydrophobicContact CB-CG2 3.63Å; Y92-T126 HydrophobicContact CE2-CG2 4.25Å; S124-T126 PolarHBondContact O-N 2.87Å; T126-A128 VanDerWaalsContact C-N 3.29Å; T126-A128 PolarHBondContact O-N 2.85Å; T126-L129 PolarHBondContact O-N 2.85Å; T126-K130 HydrophobicContact CG2-CD 3.91Å; T126-K130 HydrophobicContact CG2-CG 4.05Å; T126-K130 WeakPolarHBondContact O-CB 3.36Å; T126-K130 WeakPolarHBondContact O-CG 3.4Å; T126-K130 PolarHBondContact O-N 3.27Å |
| 127 | G | 79.4 | Confident | 83.7 | Confident | 40 Ų | 40 | 60 Ų | 60 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.9 | -30.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | E125 T131 Q152 | E125-G127 PolarHBondContact O-N 3.25Å; E125-G127 VanDerWaalsContact O-N 3.07Å; G127-T131 WeakPolarHBondContact O-CG2 3.48Å; G127-Q152 PolarHBondContact O-NE2 3.13Å |
| 128 | A | 81.4 | Confident | 81.4 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -81.1 | -50.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E125 T126 K130 T131 F132 V153 | E125-A128 HydrophobicContact CB-CB 4.33Å; E125-A128 PolarHBondContact O-N 3.06Å; T126-A128 VanDerWaalsContact C-N 3.29Å; T126-A128 PolarHBondContact O-N 2.85Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 3.25Å; A128-K130 VanDerWaalsContact O-N 3.17Å; A128-T131 PolarHBondContact O-N 2.96Å; A128-T131 PolarHBondContact O-OG1 3.23Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.35Å; A128-F132 WeakPolarHBondContact O-CE1 3.46Å; A128-V153 HydrophobicContact CB-CG2 4.44Å |
| 129 | L | 86.9 | Confident | 79.5 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.2 | -42.5 | -177.9 | -62.9 | 172.5 | 0 | 0 | 0 | 112.4 | V88 Y92 L111 E114 I115 E125 T126 T131 F132 I133 | V88-L129 HydrophobicContact CG1-CD1 3.91Å; V88-L129 HydrophobicContact CG2-CD1 4.3Å; Y92-L129 HydrophobicContact CE2-CB 4.41Å; Y92-L129 WeakPolarHBondContact OH-CB 3.38Å; Y92-L129 PolarHBondContact OH-O 3.04Å; L111-L129 HydrophobicContact CD2-CD1 4.33Å; E114-L129 HydrophobicContact CB-CD2 4.43Å; E114-L129 HydrophobicContact CG-CD2 3.67Å; I115-L129 HydrophobicContact CG2-CD1 3.73Å; I115-L129 HydrophobicContact CG2-CD2 4.14Å; E125-L129 WeakPolarHBondContact O-CG 3.3Å; E125-L129 PolarHBondContact O-N 3.33Å; T126-L129 PolarHBondContact O-N 2.85Å; L129-T131 PolarHBondContact O-N 3.39Å; L129-T131 VanDerWaalsContact O-N 3.1Å; L129-F132 HydrophobicContact CD2-CE2 4.34Å; L129-F132 HydrophobicContact CD2-CZ 3.87Å; L129-F132 PolarHBondContact O-N 2.87Å; L129-I133 HydrophobicContact CD2-CD1 4.21Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 PolarHBondContact O-N 2.84Å |
| 130 | K | 85.9 | Confident | 77.7 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 43% | 0.426 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.8 | -10.4 | -177.3 | -80 | -174.7 | 174.9 | -171.8 | 0 | 114.7 | A91 Y92 T126 A128 | A91-K130 WeakPolarHBondContact O-CE 3.2Å; A91-K130 PolarHBondContact O-NZ 3.06Å; Y92-K130 HydrophobicContact CD1-CG 4.4Å; Y92-K130 HydrophobicContact CE1-CG 3.66Å; Y92-K130 HydrophobicContact CE2-CG 3.99Å; Y92-K130 VanDerWaalsContact CZ-CG 3.44Å; Y92-K130 VanDerWaalsContact OH-CA 3.26Å; Y92-K130 WeakPolarHBondContact OH-CA 3.35Å; Y92-K130 WeakPolarHBondContact OH-CG 3.38Å; Y92-K130 PolarHBondContact OH-N 3.28Å; Y92-K130 VanDerWaalsContact OH-N 3.08Å; T126-K130 HydrophobicContact CG2-CD 3.91Å; T126-K130 HydrophobicContact CG2-CG 4.05Å; T126-K130 WeakPolarHBondContact O-CB 3.36Å; T126-K130 WeakPolarHBondContact O-CG 3.4Å; T126-K130 PolarHBondContact O-N 3.27Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 3.25Å; A128-K130 VanDerWaalsContact O-N 3.17Å |
| 131 | T | 80.1 | Confident | 76.2 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 15% | 0.153 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -81.9 | -27.8 | 177.7 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | G127 A128 L129 Q141 | G127-T131 WeakPolarHBondContact O-CG2 3.48Å; A128-T131 PolarHBondContact O-N 2.96Å; A128-T131 PolarHBondContact O-OG1 3.23Å; L129-T131 PolarHBondContact O-N 3.39Å; L129-T131 VanDerWaalsContact O-N 3.1Å; T131-Q141 PolarHBondContact O-NE2 3.11Å |
| 132 | F | 82.1 | Confident | 75.1 | Confident | 52 Ų | 52 | 71.9 Ų | 71.9 | 23% | 0.228 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -121.3 | -22.4 | -178 | 57 | -90.5 | 0 | 0 | 0 | 114.3 | E114 A128 L129 I149 V153 | E114-F132 HydrophobicContact CG-CE2 3.77Å; E114-F132 HydrophobicContact CG-CZ 4.11Å; A128-F132 VanDerWaalsContact O-CD1 3.31Å; A128-F132 WeakPolarHBondContact O-CD1 3.35Å; A128-F132 WeakPolarHBondContact O-CE1 3.46Å; L129-F132 HydrophobicContact CD2-CE2 4.34Å; L129-F132 HydrophobicContact CD2-CZ 3.87Å; L129-F132 PolarHBondContact O-N 2.87Å; F132-I149 HydrophobicContact CB-CD1 4.47Å; F132-I149 HydrophobicContact CB-CG2 4.23Å; F132-I149 HydrophobicContact CD1-CG2 3.64Å; F132-I149 HydrophobicContact CE1-CG2 4.4Å; F132-I149 HydrophobicContact CG-CG2 4.28Å; F132-V153 HydrophobicContact CE1-CG2 3.84Å |
| 133 | I | 86 | Confident | 74.1 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.015 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -99.2 | 102.4 | 170.7 | -60.5 | 176.5 | 0 | 0 | 0 | 108 | Y92 L107 E110 L111 E114 L129 | Y92-I133 HydrophobicContact CE1-CG2 4.36Å; Y92-I133 WeakPolarHBondContact CE1-O 3.24Å; Y92-I133 PolarHBondContact OH-O 3.08Å; L107-I133 HydrophobicContact CD1-CG2 3.33Å; E110-I133 HydrophobicContact CG-CD1 4.24Å; E110-I133 HydrophobicContact CG-CG1 4.15Å; E110-I133 HydrophobicContact CG-CG2 4.22Å; L111-I133 HydrophobicContact CD2-CB 4.48Å; L111-I133 HydrophobicContact CD2-CD1 3.8Å; L111-I133 HydrophobicContact CD2-CG2 3.94Å; L111-I133 HydrophobicContact CG-CG2 4.22Å; E114-I133 HydrophobicContact CB-CD1 3.85Å; E114-I133 HydrophobicContact CG-CD1 4.05Å; L129-I133 HydrophobicContact CD2-CD1 4.21Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 PolarHBondContact O-N 2.84Å |
| 134 | T | 79.6 | Confident | 73.5 | Confident | 67 Ų | 67 | 80 Ų | 80 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | trans | -118.6 | 136.6 | -175.6 | 61.4 | 0 | 0 | 0 | 0 | 112.2 | Q136 | T134-Q136 PolarHBondContact O-N 2.81Å; T134-Q136 PolarHBondContact OG1-O 3.09Å | ||
| 135 | Q | 70.4 | Confident | 72.7 | Confident | 106 Ų | 106 | 83 Ų | 83 | 50% | 0.495 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -70.8 | -20.9 | 170 | -76.4 | -179.3 | -13.1 | 0 | 0 | 113.1 | N104 L107 | N104-Q135 PolarHBondContact OD1-NE2 3.06Å; L107-Q135 HydrophobicContact CD2-CG 3.69Å; L107-Q135 VanDerWaalsContact CD2-NE2 3.28Å |
| 136 | Q | 63 | Low | 72 | Confident | 168 Ų | 168 | 86.2 Ų | 86.2 | 79% | 0.785 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -86.7 | 139.4 | 176 | -62.5 | -175.3 | -2 | 0 | 0 | 108.5 | T134 | T134-Q136 PolarHBondContact O-N 2.81Å; T134-Q136 PolarHBondContact OG1-O 3.09Å |
| 137 | G | 48.6 | Very low | 71.4 | Confident | 70 Ų | 70 | 88 Ų | 88 | 72% | 0.722 | 47% | 0.469 | S | S | * | . | trans | -52.4 | 153.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K139 | G137-K139 PolarHBondContact O-N 3.24Š| ||
| 138 | I | 47.9 | Very low | 71.2 | Confident | 168 Ų | 168 | 92.2 Ų | 92.2 | 86% | 0.862 | 48% | 0.478 | S | S | * | . | trans | -52 | 98 | -173.7 | -54.4 | -177 | 0 | 0 | 0 | 110 | ||||
| 139 | K | 54 | Low | 70.8 | Confident | 186 Ų | 186 | 93.3 Ų | 93.3 | 81% | 0.809 | 48% | 0.484 | S | S | * | . | trans | -74.6 | 127.9 | 162.8 | -124.2 | -178.1 | 179.6 | -175.2 | 0 | 105.8 | G137 Q141 | G137-K139 PolarHBondContact O-N 3.24Å; K139-Q141 PolarHBondContact O-N 2.98Å | ||
| 140 | S | 54 | Low | 70.3 | Confident | 118 Ų | 118 | 97 Ų | 97 | 83% | 0.825 | 51% | 0.507 | S | S | * | . | trans | -54.3 | 105.9 | 176.1 | -53 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 141 | Q | 64.2 | Low | 69.8 | Low | 75 Ų | 75 | 95.6 Ų | 95.6 | 35% | 0.35 | 51% | 0.509 | S | S | . | . | trans | -71 | 133.8 | 177.1 | -73.1 | -177.4 | -8.1 | 0 | 0 | 109 | T131 K139 E145 Q146 | T131-Q141 PolarHBondContact O-NE2 3.11Å; K139-Q141 PolarHBondContact O-N 2.98Å; Q141-E145 WeakPolarHBondContact CA-OE2 3.26Å; Q141-Q146 HydrophobicContact CB-CG 4.14Å | ||
| 142 | T | 72.9 | Confident | 69.6 | Low | 72 Ų | 72 | 95.3 Ų | 95.3 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | trans | -69.8 | 155.6 | 173.1 | 58.5 | 0 | 0 | 0 | 0 | 110.5 | E144 E145 Q146 | T142-E144 PolarHBondContact O-N 2.95Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E145 PolarHBondContact N-OE2 2.99Å; T142-E145 PolarHBondContact O-N 3.37Å; T142-E145 VanDerWaalsContact O-N 3.11Å; T142-E145 VanDerWaalsContact OG1-CD 3.31Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.41Å; T142-E145 PolarHBondContact OG1-N 2.87Å; T142-E145 PolarHBondContact OG1-OE2 3.48Å; T142-Q146 PolarHBondContact O-N 3.29Å; T142-Q146 VanDerWaalsContact O-N 3.07Å | ||
| 143 | K | 71.8 | Confident | 69.2 | Low | 185 Ų | 185 | 95.5 Ų | 95.5 | 80% | 0.804 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.4 | -30.1 | 175.1 | -79 | -174.6 | 176.1 | -179.4 | 0 | 112.7 | S147 | K143-S147 PolarHBondContact O-N 3.24Å; K143-S147 VanDerWaalsContact O-N 3.14Å |
| 144 | E | 72.9 | Confident | 68.8 | Low | 147 Ų | 147 | 100.6 Ų | 100.6 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.9 | -40.9 | 177.5 | -67.1 | 174.1 | -175.7 | 0 | 0 | 112 | T142 S147 Q148 | T142-E144 PolarHBondContact O-N 2.95Å; T142-E144 VanDerWaalsContact O-N 3.15Å; E144-S147 PolarHBondContact O-N 3.26Å; E144-S147 PolarHBondContact O-OG 3.44Å; E144-Q148 WeakPolarHBondContact O-CG 3.3Å; E144-Q148 PolarHBondContact O-N 2.8Å; E144-Q148 VanDerWaalsContact O-N 3.11Å |
| 145 | E | 72.7 | Confident | 68.6 | Low | 90 Ų | 90 | 99 Ų | 99 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 173.5 | -74 | 164.8 | 148.7 | 0 | 0 | 111.2 | Q141 T142 S147 Q148 I149 | Q141-E145 WeakPolarHBondContact CA-OE2 3.26Å; T142-E145 PolarHBondContact N-OE2 2.99Å; T142-E145 PolarHBondContact O-N 3.37Å; T142-E145 VanDerWaalsContact O-N 3.11Å; T142-E145 VanDerWaalsContact OG1-CD 3.31Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.41Å; T142-E145 PolarHBondContact OG1-N 2.87Å; T142-E145 PolarHBondContact OG1-OE2 3.48Å; E145-S147 PolarHBondContact O-N 2.93Å; E145-Q148 PolarHBondContact O-N 2.89Å; E145-I149 VanDerWaalsContact O-CG1 3.22Å; E145-I149 WeakPolarHBondContact O-CG1 3.36Å; E145-I149 PolarHBondContact O-N 3.41Å |
| 146 | Q | 72.8 | Confident | 68.9 | Low | 101 Ų | 101 | 103.1 Ų | 103.1 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -40.6 | 177.3 | -70.8 | -178.9 | -14.7 | 0 | 0 | 112.7 | Q141 T142 I149 T150 | Q141-Q146 HydrophobicContact CB-CG 4.14Å; T142-Q146 PolarHBondContact O-N 3.29Å; T142-Q146 VanDerWaalsContact O-N 3.07Å; Q146-I149 PolarHBondContact O-N 3.22Å; Q146-T150 WeakPolarHBondContact O-CB 3.33Å; Q146-T150 PolarHBondContact O-N 3.48Å; Q146-T150 PolarHBondContact O-OG1 3.3Å |
| 147 | S | 73.8 | Confident | 69.9 | Low | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 178 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | K143 E144 E145 T150 S151 | K143-S147 PolarHBondContact O-N 3.24Å; K143-S147 VanDerWaalsContact O-N 3.14Å; E144-S147 PolarHBondContact O-N 3.26Å; E144-S147 PolarHBondContact O-OG 3.44Å; E145-S147 PolarHBondContact O-N 2.93Å; S147-T150 PolarHBondContact O-N 2.97Å; S147-S151 WeakPolarHBondContact O-CB 3.37Å; S147-S151 PolarHBondContact O-N 3.08Å; S147-S151 PolarHBondContact O-OG 2.84Å |
| 148 | Q | 74.1 | Confident | 71.6 | Confident | 128 Ų | 128 | 94.3 Ų | 94.3 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.7 | -39.6 | 173.1 | -73.2 | 179.1 | 11.3 | 0 | 0 | 112.9 | E144 E145 S151 Q152 | E144-Q148 WeakPolarHBondContact O-CG 3.3Å; E144-Q148 PolarHBondContact O-N 2.8Å; E144-Q148 VanDerWaalsContact O-N 3.11Å; E145-Q148 PolarHBondContact O-N 2.89Å; Q148-S151 PolarHBondContact O-N 3.2Å; Q148-S151 PolarHBondContact O-OG 2.88Å; Q148-Q152 WeakPolarHBondContact O-CB 3.5Å; Q148-Q152 PolarHBondContact O-N 3.42Å |
| 149 | I | 73.9 | Confident | 73.5 | Confident | 27 Ų | 27 | 88.5 Ų | 88.5 | 14% | 0.138 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 175.7 | -68.2 | 165 | 0 | 0 | 0 | 109.8 | F132 E145 Q146 S151 Q152 V153 | F132-I149 HydrophobicContact CB-CD1 4.47Å; F132-I149 HydrophobicContact CB-CG2 4.23Å; F132-I149 HydrophobicContact CD1-CG2 3.64Å; F132-I149 HydrophobicContact CE1-CG2 4.4Å; F132-I149 HydrophobicContact CG-CG2 4.28Å; E145-I149 VanDerWaalsContact O-CG1 3.22Å; E145-I149 WeakPolarHBondContact O-CG1 3.36Å; E145-I149 PolarHBondContact O-N 3.41Å; Q146-I149 PolarHBondContact O-N 3.22Å; I149-S151 VanDerWaalsContact C-N 3.33Å; I149-S151 PolarHBondContact O-N 3.28Å; I149-Q152 PolarHBondContact O-N 3.15Å; I149-V153 HydrophobicContact CG2-CG2 4.44Å; I149-V153 WeakPolarHBondContact O-CG2 3.43Å; I149-V153 PolarHBondContact O-N 2.94Å |
| 150 | T | 74.9 | Confident | 75.2 | Confident | 81 Ų | 81 | 80 Ų | 80 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 178.5 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | Q146 S147 Q152 V153 T154 | Q146-T150 WeakPolarHBondContact O-CB 3.33Å; Q146-T150 PolarHBondContact O-N 3.48Å; Q146-T150 PolarHBondContact O-OG1 3.3Å; S147-T150 PolarHBondContact O-N 2.97Å; T150-Q152 VanDerWaalsContact C-N 3.31Å; T150-Q152 PolarHBondContact O-N 3.06Å; T150-V153 PolarHBondContact O-N 2.84Å; T150-T154 HydrophobicContact CG2-CG2 4.22Å; T150-T154 WeakPolarHBondContact O-CG2 3.32Å; T150-T154 PolarHBondContact O-N 3.45Å; T150-T154 PolarHBondContact O-OG1 3.04Å |
| 151 | S | 76.5 | Confident | 76.6 | Confident | 68 Ų | 68 | 80.4 Ų | 80.4 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.8 | -31.1 | -179.8 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | S147 Q148 I149 G155 | S147-S151 WeakPolarHBondContact O-CB 3.37Å; S147-S151 PolarHBondContact O-N 3.08Å; S147-S151 PolarHBondContact O-OG 2.84Å; Q148-S151 PolarHBondContact O-N 3.2Å; Q148-S151 PolarHBondContact O-OG 2.88Å; I149-S151 VanDerWaalsContact C-N 3.33Å; I149-S151 PolarHBondContact O-N 3.28Å; S151-G155 WeakPolarHBondContact O-CA 3.41Å; S151-G155 PolarHBondContact O-N 2.96Å |
| 152 | Q | 74.9 | Confident | 77.7 | Confident | 19 Ų | 19 | 83.1 Ų | 83.1 | 9% | 0.089 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69 | -41.7 | 173.4 | -173.4 | -173.3 | -9.5 | 0 | 0 | 111.8 | G127 Q148 I149 T150 R161 | G127-Q152 PolarHBondContact O-NE2 3.13Å; Q148-Q152 WeakPolarHBondContact O-CB 3.5Å; Q148-Q152 PolarHBondContact O-N 3.42Å; I149-Q152 PolarHBondContact O-N 3.15Å; T150-Q152 VanDerWaalsContact C-N 3.31Å; T150-Q152 PolarHBondContact O-N 3.06Å; Q152-R161 VanDerWaalsContact CD-CG 3.42Å; Q152-R161 HydrophobicContact CG-CG 4.4Å; Q152-R161 VanDerWaalsContact NE2-CG 3.32Å; Q152-R161 VanDerWaalsContact OE1-CG 3.29Å |
| 153 | V | 74.8 | Confident | 78.4 | Confident | 55 Ų | 55 | 82.6 Ų | 82.6 | 33% | 0.333 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.1 | -41.2 | -178 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | A128 F132 I149 T150 | A128-V153 HydrophobicContact CB-CG2 4.44Å; F132-V153 HydrophobicContact CE1-CG2 3.84Å; I149-V153 HydrophobicContact CG2-CG2 4.44Å; I149-V153 WeakPolarHBondContact O-CG2 3.43Å; I149-V153 PolarHBondContact O-N 2.94Å; T150-V153 PolarHBondContact O-N 2.84Å |
| 154 | T | 77.6 | Confident | 79.3 | Confident | 110 Ų | 110 | 74.9 Ų | 74.9 | 68% | 0.675 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -89 | -10.6 | -179.7 | 66 | 0 | 0 | 0 | 0 | 113.4 | T150 | T150-T154 HydrophobicContact CG2-CG2 4.22Å; T150-T154 WeakPolarHBondContact O-CG2 3.32Å; T150-T154 PolarHBondContact O-N 3.45Å; T150-T154 PolarHBondContact O-OG1 3.04Å |
| 155 | G | 75.6 | Confident | 80.3 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -72.8 | 159.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S151 I157 | S151-G155 WeakPolarHBondContact O-CA 3.41Å; S151-G155 PolarHBondContact O-N 2.96Å; G155-I157 PolarHBondContact O-N 3.22Å |
| 156 | Q | 76.5 | Confident | 81.4 | Confident | 191 Ų | 191 | 75.5 Ų | 75.5 | 89% | 0.893 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -66.4 | -17.4 | 178.2 | -162.7 | -178.8 | 8.9 | 0 | 0 | 113.1 | ||
| 157 | I | 84.6 | Confident | 82.5 | Confident | 46 Ų | 46 | 82.3 Ų | 82.3 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | trans | -121.1 | 96.7 | -179.1 | -57.8 | 170.6 | 0 | 0 | 0 | 108.8 | G155 W159 R160 M207 I264 | G155-I157 PolarHBondContact O-N 3.22Å; I157-W159 HydrophobicContact CG1-CZ2 4.48Å; I157-W159 HydrophobicContact CG2-CD2 4.14Å; I157-W159 HydrophobicContact CG2-CG 4.39Å; I157-W159 HydrophobicContact CG2-CZ2 4.04Å; I157-R160 HydrophobicContact CG2-CB 4.25Å; I157-M207 HydrophobicContact CB-CE 4.28Å; I157-M207 HydrophobicContact CD1-CE 3.89Å; I157-M207 HydrophobicContact CG2-CE 3.83Å; I157-I264 HydrophobicContact CD1-CD1 3.44Å; I157-I264 VanDerWaalsContact CD1-CD1 3.44Å | ||
| 158 | G | 83.3 | Confident | 83.5 | Confident | 7 Ų | 7 | 86.8 Ų | 86.8 | 7% | 0.072 | 43% | 0.429 | C | S | . | . | trans | -82.3 | -23 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 159 | W | 87.4 | Confident | 84.6 | Confident | 47 Ų | 47 | 81.9 Ų | 81.9 | 18% | 0.178 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -91.6 | -3.4 | -168.6 | 57.4 | 79.7 | 0 | 0 | 0 | 115.8 | E125 I157 Q248 C249 I264 P266 | E125-W159 PolarHBondContact OE1-N 3.24Å; E125-W159 WeakPolarHBondContact OE2-CA 3.43Å; E125-W159 WeakPolarHBondContact OE2-CB 3.34Å; I157-W159 HydrophobicContact CG1-CZ2 4.48Å; I157-W159 HydrophobicContact CG2-CD2 4.14Å; I157-W159 HydrophobicContact CG2-CG 4.39Å; I157-W159 HydrophobicContact CG2-CZ2 4.04Å; W159-Q248 HydrophobicContact CD2-CG 4.48Å; W159-Q248 HydrophobicContact CE3-CG 3.85Å; W159-Q248 HydrophobicContact CZ3-CG 4.16Å; W159-C249 HydrophobicContact CD2-CB 4.05Å; W159-C249 VanDerWaalsContact CE2-CB 3.46Å; W159-C249 HydrophobicContact CG-CB 4.29Å; W159-C249 VanDerWaalsContact CZ2-CA 3.46Å; W159-C249 HydrophobicContact CZ2-CB 3.84Å; W159-C249 VanDerWaalsContact NE1-CB 3.3Å; W159-I264 PolarHBondContact NE1-O 3.29Å; W159-P266 HydrophobicContact CB-CG 4.12Å; W159-P266 HydrophobicContact CG-CG 4.21Å |
| 160 | R | 89.8 | Confident | 85.7 | Confident | 6 Ų | 6 | 83.1 Ų | 83.1 | 2% | 0.023 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -143.9 | 132 | 179.7 | -168.8 | -174.9 | -179.5 | 68.8 | 9.2 | 111.1 | I157 I164 L204 G206 M207 I264 P265 D267 | I157-R160 HydrophobicContact CG2-CB 4.25Å; R160-I164 HydrophobicContact CG-CD1 4.2Å; R160-L204 PolarHBondContact NH2-O 2.78Å; R160-G206 VanDerWaalsContact CZ-O 3.26Å; R160-G206 PolarHBondContact NE-O 3.41Å; R160-G206 PolarHBondContact NH2-O 2.74Å; R160-M207 HydrophobicContact CB-CE 4.11Å; R160-M207 HydrophobicContact CB-SD 4.07Å; R160-M207 VanDerWaalsContact CD-SD 3.55Å; R160-M207 HydrophobicContact CG-CE 4.33Å; R160-M207 HydrophobicContact CG-SD 3.65Å; R160-I264 HydrophobicContact CB-CG2 4.37Å; R160-P265 WeakPolarHBondContact CD-O 3.44Å; R160-P265 PolarHBondContact NH1-O 2.65Å; R160-D267 IonicContact NH1-OD1 2.7Å |
| 161 | R | 84.4 | Confident | 86.7 | Confident | 127 Ų | 127 | 79.2 Ų | 79.2 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | trans | -85.8 | 143.6 | 178.4 | -67.5 | -175.1 | -67.1 | 174.4 | 0.2 | 111.8 | Q152 I164 M207 | Q152-R161 VanDerWaalsContact CD-CG 3.42Å; Q152-R161 HydrophobicContact CG-CG 4.4Å; Q152-R161 VanDerWaalsContact NE2-CG 3.32Å; Q152-R161 VanDerWaalsContact OE1-CG 3.29Å; R161-I164 HydrophobicContact CB-CD1 4.22Å; R161-I164 HydrophobicContact CB-CG1 4.31Å; R161-I164 VanDerWaalsContact O-CD1 3.32Å; R161-I164 WeakPolarHBondContact O-CD1 3.46Å; R161-I164 WeakPolarHBondContact O-CG1 3.3Å; R161-M207 VanDerWaalsContact O-SD 3.42Å | ||
| 162 | E | 85.9 | Confident | 87.8 | Confident | 133 Ų | 133 | 78.7 Ų | 78.7 | 62% | 0.621 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 158.5 | 167.3 | -61.5 | -154.6 | 134.9 | 0 | 0 | 110.9 | I164 M207 K408 | E162-I164 VanDerWaalsContact C-N 3.3Å; E162-I164 PolarHBondContact O-N 2.68Å; E162-M207 HydrophobicContact CG-CG 4Å; E162-M207 HydrophobicContact CG-SD 4.26Å; E162-K408 IonicContact OE1-NZ 2.76Å; E162-K408 PolarHBondContact OE1-NZ 2.75Å |
| 163 | G | 87.4 | Confident | 88.8 | Confident | 60 Ų | 60 | 78 Ų | 78 | 62% | 0.619 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 1.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | K165 | G163-K165 PolarHBondContact O-N 2.9Š|
| 164 | I | 91.8 | Very high | 89.9 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | trans | -57.1 | 132.7 | 173.2 | -62 | 172 | 0 | 0 | 0 | 109.5 | R160 R161 E162 Y166 L204 S205 G206 D267 | R160-I164 HydrophobicContact CG-CD1 4.2Å; R161-I164 HydrophobicContact CB-CD1 4.22Å; R161-I164 HydrophobicContact CB-CG1 4.31Å; R161-I164 VanDerWaalsContact O-CD1 3.32Å; R161-I164 WeakPolarHBondContact O-CD1 3.46Å; R161-I164 WeakPolarHBondContact O-CG1 3.3Å; E162-I164 VanDerWaalsContact C-N 3.3Å; E162-I164 PolarHBondContact O-N 2.68Å; I164-Y166 HydrophobicContact CG2-CD2 3.91Å; I164-Y166 HydrophobicContact CG2-CE2 3.44Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.44Å; I164-L204 WeakPolarHBondContact CG2-O 3.18Å; I164-S205 CarbonylContact O-C 3.58Å; I164-S205 VanDerWaalsContact O-CA 3.22Å; I164-S205 WeakPolarHBondContact O-CA 3.37Å; I164-G206 PolarHBondContact O-N 3.19Å; I164-D267 HydrophobicContact CD1-CB 3.81Å | ||
| 165 | K | 94.4 | Very high | 90.9 | Very high | 173 Ų | 173 | 70.7 Ų | 70.7 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | trans | -133.9 | 132 | 178.2 | -72 | -176.9 | -179.4 | 179.5 | 0 | 110.6 | G163 | G163-K165 PolarHBondContact O-N 2.9Š| ||
| 166 | Y | 95.7 | Very high | 92 | Very high | 77 Ų | 77 | 70.4 Ų | 70.4 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | trans | -118.6 | 148.5 | 170.4 | -72.2 | -83.5 | 0 | 0 | 0 | 110.4 | I164 R168 Y203 L204 S205 D267 | I164-Y166 HydrophobicContact CG2-CD2 3.91Å; I164-Y166 HydrophobicContact CG2-CE2 3.44Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.44Å; Y166-R168 VanDerWaalsContact CB-O 3.31Å; Y166-R168 WeakPolarHBondContact CB-O 3.35Å; Y166-R168 PolarHBondContact O-N 2.85Å; Y166-Y203 AromaticContact CE1-CD1 3.72Å; Y166-Y203 HydrophobicContact CE1-CD1 3.72Å; Y166-Y203 HydrophobicContact CE1-CG 4.24Å; Y166-Y203 AromaticContact CZ-CD1 3.79Å; Y166-L204 VanDerWaalsContact CD2-C 3.44Å; Y166-L204 VanDerWaalsContact CD2-O 3.29Å; Y166-L204 WeakPolarHBondContact CD2-O 3.1Å; Y166-L204 WeakPolarHBondContact CE2-O 3.1Å; Y166-S205 PolarHBondContact N-OG 3.39Å; Y166-S205 PolarHBondContact O-OG 3.15Å; Y166-D267 WeakPolarHBondContact CE2-OD1 3.38Å; Y166-D267 VanDerWaalsContact OH-CG 3.27Å; Y166-D267 PolarHBondContact OH-OD1 2.85Å; Y166-D267 VanDerWaalsContact OH-OD1 3.07Å; Y166-D267 PolarHBondContact OH-OD2 3.36Å | ||
| 167 | R | 94.5 | Very high | 93 | Very high | 245 Ų | 245 | 61.3 Ų | 61.3 | 93% | 0.925 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -64.5 | -31.5 | 172.2 | -175.4 | 177.6 | 176.3 | 178.7 | 0.5 | 111.8 | ||
| 168 | R | 95.2 | Very high | 93.7 | Very high | 165 Ų | 165 | 60.1 Ų | 60.1 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -140.1 | 136 | 176.1 | -69.9 | -175.6 | 177.8 | 169.4 | -1.1 | 108.8 | Y166 E170 | Y166-R168 VanDerWaalsContact CB-O 3.31Å; Y166-R168 WeakPolarHBondContact CB-O 3.35Å; Y166-R168 PolarHBondContact O-N 2.85Å; R168-E170 HydrophobicContact CB-CG 4.31Å |
| 169 | N | 97.4 | Very high | 94.3 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.1 | 177.1 | -63.1 | -51.2 | 0 | 0 | 0 | 109.3 | Y203 L204 S205 V416 I417 | N169-Y203 CarbonylContact C-O 3.58Å; N169-Y203 VanDerWaalsContact CA-O 3.3Å; N169-Y203 WeakPolarHBondContact CA-O 3.32Å; N169-L204 HydrophobicContact CB-CD2 3.82Å; N169-S205 WeakPolarHBondContact OD1-CB 3.37Å; N169-S205 PolarHBondContact OD1-N 2.88Å; N169-S205 PolarHBondContact OD1-OG 3.15Å; N169-V416 HydrophobicContact CB-CB 4.5Å; N169-V416 HydrophobicContact CB-CG1 4.48Å; N169-V416 HydrophobicContact CB-CG2 3.94Å; N169-V416 WeakPolarHBondContact O-CA 3.45Å; N169-I417 PolarHBondContact O-N 2.84Å |
| 170 | E | 97.3 | Very high | 94.8 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.6 | -175.2 | -56.3 | -172.6 | 144 | 0 | 0 | 111.4 | R168 F172 Y203 I417 | R168-E170 HydrophobicContact CB-CG 4.31Å; E170-F172 HydrophobicContact CB-CE2 3.79Å; E170-F172 HydrophobicContact CB-CZ 4.25Å; E170-Y203 PolarHBondContact N-O 3.28Å; E170-Y203 PolarHBondContact O-N 2.98Å; E170-I417 CarbonylContact C-O 3.6Å; E170-I417 WeakPolarHBondContact CA-O 3.42Å; E170-I417 HydrophobicContact CG-CB 4.26Å |
| 171 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.1 | 175.5 | -68.3 | 179.4 | 0 | 0 | 0 | 110.7 | M200 K201 S202 L204 L402 V404 V416 I417 K418 W419 | L171-M200 HydrophobicContact CB-CE 4.47Å; L171-M200 HydrophobicContact CD1-CE 3.71Å; L171-M200 HydrophobicContact CD2-CE 3.24Å; L171-M200 HydrophobicContact CG-CE 3.98Å; L171-K201 WeakPolarHBondContact CA-O 3.47Å; L171-S202 WeakPolarHBondContact CD2-OG 3.39Å; L171-L204 HydrophobicContact CD1-CD1 4.08Å; L171-L204 HydrophobicContact CD1-CD2 4.38Å; L171-L204 HydrophobicContact CD2-CD1 3.67Å; L171-L204 HydrophobicContact CD2-CD2 3.96Å; L171-L204 HydrophobicContact CD2-CG 3.63Å; L171-L204 HydrophobicContact CG-CD1 4.15Å; L171-L204 HydrophobicContact CG-CD2 3.93Å; L171-L204 HydrophobicContact CG-CG 4.15Å; L171-L402 HydrophobicContact CB-CD2 4.2Å; L171-L402 HydrophobicContact CD1-CD2 3.64Å; L171-L402 HydrophobicContact CD1-CG 4.32Å; L171-V404 HydrophobicContact CD1-CG2 3.42Å; L171-V404 VanDerWaalsContact CD1-CG2 3.42Å; L171-V416 HydrophobicContact CD1-CG1 4.06Å; L171-V416 HydrophobicContact CG-CG1 3.96Å; L171-I417 PolarHBondContact N-O 2.85Å; L171-K418 HydrophobicContact CB-CG 4.47Å; L171-K418 CarbonylContact O-C 3.57Å; L171-K418 WeakPolarHBondContact O-CA 3.44Å; L171-W419 PolarHBondContact O-N 2.63Å |
| 172 | F | 97.9 | Very high | 95.7 | Very high | 57 Ų | 57 | 54.6 Ų | 54.6 | 25% | 0.25 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.9 | 174.8 | -54.9 | -96.3 | 0 | 0 | 0 | 109.4 | E170 M200 K201 Y203 W419 | E170-F172 HydrophobicContact CB-CE2 3.79Å; E170-F172 HydrophobicContact CB-CZ 4.25Å; F172-M200 CarbonylContact O-C 3.33Å; F172-M200 WeakPolarHBondContact O-CA 3.45Å; F172-K201 HydrophobicContact CB-CB 4.15Å; F172-K201 HydrophobicContact CB-CG 4.5Å; F172-K201 HydrophobicContact CD2-CB 4.31Å; F172-K201 PolarHBondContact N-O 3.43Å; F172-K201 PolarHBondContact O-N 3.01Å; F172-Y203 HydrophobicContact CD2-CD2 4.12Å; F172-Y203 HydrophobicContact CD2-CE2 4.05Å; F172-Y203 AromaticContact CE2-CD2 3.87Å; F172-Y203 HydrophobicContact CE2-CD2 3.87Å; F172-Y203 AromaticContact CE2-CE2 3.97Å; F172-Y203 HydrophobicContact CE2-CE2 3.97Å; F172-W419 HydrophobicContact CD1-CB 3.61Å; F172-W419 AromaticContact CD1-CD1 3.55Å; F172-W419 AromaticContact CD1-CG 3.71Å; F172-W419 HydrophobicContact CD1-CG 3.71Å; F172-W419 HydrophobicContact CE1-CB 4.14Å; F172-W419 AromaticContact CE1-CD1 3.2Å; F172-W419 HydrophobicContact CE1-CD2 4.48Å; F172-W419 AromaticContact CE1-CG 3.7Å; F172-W419 HydrophobicContact CE1-CG 3.7Å; F172-W419 AromaticContact CE1-NE1 3.72Å; F172-W419 HydrophobicContact CG-CB 4.38Å; F172-W419 AromaticContact CZ-CD1 3.84Å |
| 173 | L | 97.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.1 | 175.5 | -68.3 | -177.6 | 0 | 0 | 0 | 111 | V198 M200 F212 V399 L402 W419 V420 R421 | L173-V198 HydrophobicContact CD2-CG1 4.17Å; L173-M200 HydrophobicContact CD2-CB 3.74Å; L173-M200 HydrophobicContact CD2-CG 3.68Å; L173-M200 HydrophobicContact CD2-SD 3.95Å; L173-F212 HydrophobicContact CD1-CD2 4.1Å; L173-F212 HydrophobicContact CD1-CE2 3.93Å; L173-V399 HydrophobicContact CD1-CG1 4.27Å; L173-V399 HydrophobicContact CD1-CG2 4.4Å; L173-L402 HydrophobicContact CD1-CD2 3.81Å; L173-L402 HydrophobicContact CG-CD2 4.16Å; L173-W419 PolarHBondContact N-O 2.84Å; L173-V420 HydrophobicContact CB-CB 4.34Å; L173-V420 HydrophobicContact CB-CG2 4.17Å; L173-V420 CarbonylContact O-C 3.43Å; L173-V420 VanDerWaalsContact O-CA 3.29Å; L173-V420 WeakPolarHBondContact O-CA 3.23Å; L173-R421 PolarHBondContact O-N 2.88Å |
| 174 | D | 97.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 108 | 175 | -64.1 | -12.8 | 0 | 0 | 0 | 108.9 | L176 V198 V199 R421 | D174-L176 HydrophobicContact CB-CD2 4.14Å; D174-L176 HydrophobicContact CB-CG 4.08Å; D174-L176 PolarHBondContact O-N 2.6Å; D174-V198 WeakPolarHBondContact O-CA 3.34Å; D174-V199 HydrophobicContact CB-CB 4.2Å; D174-V199 PolarHBondContact N-O 3.41Å; D174-V199 PolarHBondContact O-N 3.05Å; D174-R421 HydrophobicContact CB-CG 4.4Å; D174-R421 WeakPolarHBondContact OD1-CD 3.49Å; D174-R421 WeakPolarHBondContact OD1-CG 3.28Å; D174-R421 IonicContact OD1-CZ 3.22Å; D174-R421 IonicContact OD1-NE 2.74Å; D174-R421 PolarHBondContact OD1-NE 2.9Å; D174-R421 IonicContact OD1-NH2 3.63Å; D174-R421 IonicContact OD2-CZ 2.7Å; D174-R421 IonicContact OD2-NE 3.07Å; D174-R421 PolarHBondContact OD2-NE 2.8Å; D174-R421 IonicContact OD2-NH2 3.97Å; D174-R421 PolarHBondContact OD2-NH2 3.14Å |
| 175 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 102.5 | 169.9 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | E177 Y275 A393 L397 V399 V420 R421 Y422 I423 | V175-E177 HydrophobicContact CG1-CG 4.33Å; V175-Y275 VanDerWaalsContact CG1-OH 3.25Å; V175-Y275 WeakPolarHBondContact CG1-OH 3.28Å; V175-A393 HydrophobicContact CG1-CB 4.38Å; V175-L397 HydrophobicContact CG1-CD2 3.86Å; V175-L397 HydrophobicContact CG2-CD2 4.03Å; V175-V399 HydrophobicContact CG2-CG2 4.16Å; V175-V420 HydrophobicContact CG2-CG2 4.48Å; V175-R421 PolarHBondContact N-O 2.8Å; V175-Y422 HydrophobicContact CB-CD1 3.57Å; V175-Y422 HydrophobicContact CB-CE1 4Å; V175-Y422 HydrophobicContact CB-CG 4.38Å; V175-Y422 HydrophobicContact CG1-CD1 3.87Å; V175-Y422 HydrophobicContact CG1-CE1 4.29Å; V175-Y422 HydrophobicContact CG2-CD1 3.85Å; V175-Y422 HydrophobicContact CG2-CE1 3.72Å; V175-I423 PolarHBondContact O-N 2.78Å |
| 176 | L | 98.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.152 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120 | -175.8 | -56.5 | 178.8 | 0 | 0 | 0 | 109.9 | D174 G196 R197 V199 I423 | D174-L176 HydrophobicContact CB-CD2 4.14Å; D174-L176 HydrophobicContact CB-CG 4.08Å; D174-L176 PolarHBondContact O-N 2.6Å; L176-G196 CarbonylContact O-C 3.59Å; L176-G196 WeakPolarHBondContact O-CA 3.33Å; L176-R197 HydrophobicContact CB-CG 3.94Å; L176-R197 PolarHBondContact N-O 2.95Å; L176-R197 PolarHBondContact O-N 3.06Å; L176-V199 HydrophobicContact CD1-CG2 4.02Å; L176-I423 WeakPolarHBondContact CA-O 3.33Å; L176-I423 HydrophobicContact CD2-CB 3.81Å; L176-I423 HydrophobicContact CD2-CD1 3.88Å; L176-I423 HydrophobicContact CD2-CG1 4.14Å |
| 177 | E | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.1 | -175.4 | -68.5 | -165.3 | 160.6 | 0 | 0 | 112.2 | V175 V194 Y275 A393 P394 S395 I423 G424 R425 | V175-E177 HydrophobicContact CG1-CG 4.33Å; E177-V194 HydrophobicContact CB-CG1 3.75Å; E177-V194 HydrophobicContact CG-CG1 3.94Å; E177-Y275 WeakPolarHBondContact CG-OH 3.21Å; E177-Y275 WeakPolarHBondContact OE1-CE2 3.33Å; E177-Y275 PolarHBondContact OE1-OH 2.92Å; E177-A393 HydrophobicContact CG-CB 4.47Å; E177-A393 WeakPolarHBondContact OE2-CA 3.45Å; E177-A393 WeakPolarHBondContact OE2-CB 3.15Å; E177-P394 WeakPolarHBondContact OE2-CD 3.19Å; E177-S395 VanDerWaalsContact CD-OG 3.27Å; E177-S395 VanDerWaalsContact OE1-CB 3.28Å; E177-S395 WeakPolarHBondContact OE1-CB 3.39Å; E177-S395 PolarHBondContact OE1-OG 2.86Å; E177-S395 PolarHBondContact OE2-N 2.85Å; E177-S395 PolarHBondContact OE2-OG 2.78Å; E177-I423 PolarHBondContact N-O 3.44Å; E177-G424 CarbonylContact O-C 3.5Å; E177-G424 WeakPolarHBondContact O-CA 3.47Å; E177-R425 VanDerWaalsContact O-CG 3.31Å; E177-R425 WeakPolarHBondContact O-CG 3.19Å; E177-R425 PolarHBondContact O-N 2.78Å |
| 178 | S | 98 | Very high | 94.6 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 15% | 0.154 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.1 | 175.3 | -161.6 | 0 | 0 | 0 | 0 | 109.5 | V194 S195 R425 G427 | S178-V194 WeakPolarHBondContact O-CA 3.3Å; S178-S195 PolarHBondContact N-O 2.7Å; S178-S195 PolarHBondContact O-N 3.38Å; S178-R425 CarbonylContact C-O 3.54Å; S178-R425 WeakPolarHBondContact CA-O 3.46Å; S178-G427 WeakPolarHBondContact OG-CA 3.38Å; S178-G427 PolarHBondContact OG-N 2.71Å |
| 179 | V | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 115.5 | 177 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | V194 L283 P394 R425 G427 Y429 | V179-V194 HydrophobicContact CG2-CG2 4.36Å; V179-L283 HydrophobicContact CG1-CD2 4.22Å; V179-P394 HydrophobicContact CG2-CB 3.43Å; V179-P394 VanDerWaalsContact CG2-CB 3.43Å; V179-P394 HydrophobicContact CG2-CG 3.28Å; V179-R425 PolarHBondContact N-O 2.86Å; V179-G427 PolarHBondContact O-N 2.86Å; V179-Y429 HydrophobicContact CB-CD2 4.33Å; V179-Y429 HydrophobicContact CG1-CD2 4.1Å; V179-Y429 HydrophobicContact CG1-CE2 3.95Å |
| 180 | N | 97.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 36 Ų | 36 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.4 | 170.8 | -59.1 | -50.3 | 0 | 0 | 0 | 108.3 | A192 H193 G427 I428 | N180-A192 VanDerWaalsContact O-CA 3.28Å; N180-A192 WeakPolarHBondContact O-CA 3.44Å; N180-H193 WeakPolarHBondContact CB-CE1 3.49Å; N180-H193 PolarHBondContact N-O 2.97Å; N180-H193 PolarHBondContact ND2-CD2 2.76Å; N180-H193 PolarHBondContact ND2-CE1 3.29Å; N180-H193 PolarHBondContact ND2-NE2 3.15Å; N180-H193 PolarHBondContact O-N 2.92Å; N180-G427 VanDerWaalsContact OD1-CA 3.3Å; N180-G427 WeakPolarHBondContact OD1-CA 3.27Å; N180-I428 CarbonylContact C-O 3.55Å; N180-I428 VanDerWaalsContact CA-O 3.24Å; N180-I428 WeakPolarHBondContact CA-O 3.47Å; N180-I428 PolarHBondContact OD1-N 3.4Å |
| 181 | L | 96.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131.9 | -178.7 | -178 | 109.8 | 0 | 0 | 0 | 109.4 | M183 V189 S191 A192 L283 I428 Y429 E430 | L181-M183 HydrophobicContact CD2-CB 3.9Å; L181-V189 HydrophobicContact CD1-CG1 4.14Å; L181-V189 HydrophobicContact CD1-CG2 4.31Å; L181-S191 CarbonylContact C-O 3.54Å; L181-S191 WeakPolarHBondContact CA-O 3.33Å; L181-A192 HydrophobicContact CD1-CB 4.35Å; L181-L283 HydrophobicContact CD1-CD1 3.42Å; L181-L283 VanDerWaalsContact CD1-CD1 3.42Å; L181-L283 HydrophobicContact CD1-CD2 3.44Å; L181-L283 VanDerWaalsContact CD1-CD2 3.44Å; L181-L283 HydrophobicContact CD1-CG 4.01Å; L181-I428 PolarHBondContact N-O 3.31Å; L181-I428 VanDerWaalsContact O-O 3.09Å; L181-Y429 HydrophobicContact CB-CD2 3.59Å; L181-Y429 HydrophobicContact CB-CE2 3.61Å; L181-Y429 HydrophobicContact CB-CG 4.09Å; L181-Y429 HydrophobicContact CD1-CE2 4.41Å; L181-Y429 HydrophobicContact CD2-CD1 4.15Å; L181-Y429 HydrophobicContact CD2-CD2 4.45Å; L181-Y429 HydrophobicContact CD2-CE1 3.73Å; L181-Y429 HydrophobicContact CD2-CE2 4.04Å; L181-Y429 HydrophobicContact CG-CE2 4.23Å; L181-E430 PolarHBondContact O-N 2.81Å |
| 182 | L | 96.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.3 | 161 | 179.9 | 64.3 | 0 | 0 | 0 | 108.7 | L190 S191 E430 R432 | L182-L190 HydrophobicContact CD2-CB 4.39Å; L182-L190 HydrophobicContact CD2-CD1 4.33Å; L182-L190 HydrophobicContact CG-CB 4.28Å; L182-L190 HydrophobicContact CG-CD1 4.24Å; L182-L190 WeakPolarHBondContact O-CA 3.31Å; L182-L190 WeakPolarHBondContact O-CB 3.17Å; L182-L190 PolarHBondContact O-N 3.19Å; L182-S191 PolarHBondContact N-O 2.66Å; L182-S191 PolarHBondContact O-N 2.86Å; L182-S191 VanDerWaalsContact O-N 3.13Å; L182-E430 CarbonylContact C-O 3.41Å; L182-E430 WeakPolarHBondContact CA-O 3.34Å; L182-E430 HydrophobicContact CD1-CB 4.32Å; L182-R432 HydrophobicContact CD1-CG 4.19Å |
| 183 | M | 94.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 143.7 | 179 | -166.3 | 165.2 | 65.2 | 0 | 0 | 111.3 | L181 Q188 R286 V287 E430 T431 R432 | L181-M183 HydrophobicContact CD2-CB 3.9Å; M183-Q188 WeakPolarHBondContact CG-O 3.38Å; M183-R286 HydrophobicContact CE-CG 4.24Å; M183-R286 HydrophobicContact SD-CG 4.42Å; M183-V287 WeakPolarHBondContact CE-O 3.24Å; M183-E430 PolarHBondContact N-O 3.19Å; M183-T431 HydrophobicContact CB-CG2 4.1Å; M183-T431 HydrophobicContact CE-CG2 3.53Å; M183-T431 WeakPolarHBondContact CE-OG1 3.38Å; M183-T431 HydrophobicContact CG-CG2 4.41Å; M183-R432 PolarHBondContact O-N 3.28Å |
| 184 | S | 91.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | trans | -70 | 163.4 | 172.4 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | Q186 G187 Q188 | S184-Q186 PolarHBondContact O-N 2.85Å; S184-G187 PolarHBondContact O-N 2.91Å; S184-G187 PolarHBondContact OG-N 3.48Å; S184-Q188 PolarHBondContact N-O 2.91Å; S184-Q188 WeakPolarHBondContact OG-CA 3.42Å; S184-Q188 WeakPolarHBondContact OG-CB 3.35Å; S184-Q188 PolarHBondContact OG-N 3.31Å; S184-Q188 PolarHBondContact OG-O 3.29Å | ||
| 185 | P | 82.9 | Confident | 94.2 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.2 | 174.2 | -21.8 | 33.8 | 0 | 0 | 0 | 113.6 | G187 R432 | P185-G187 PolarHBondContact O-N 3.43Å; P185-R432 VanDerWaalsContact CA-O 3.25Å; P185-R432 WeakPolarHBondContact CA-O 3.18Å; P185-R432 HydrophobicContact CG-CB 3.9Å |
| 186 | Q | 84.1 | Confident | 94.1 | Very high | 158 Ų | 158 | 37.8 Ų | 37.8 | 74% | 0.738 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3.1 | 177.8 | -61.7 | 74.8 | 17.9 | 0 | 0 | 112.7 | S184 | S184-Q186 PolarHBondContact O-N 2.85Š|
| 187 | G | 83.5 | Confident | 94.1 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 82.8 | 14.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S184 P185 R286 | S184-G187 PolarHBondContact O-N 2.91Å; S184-G187 PolarHBondContact OG-N 3.48Å; P185-G187 PolarHBondContact O-N 3.43Å; G187-R286 PolarHBondContact O-NH2 3.13Å |
| 188 | Q | 91.3 | Very high | 94.1 | Very high | 134 Ų | 134 | 40.5 Ų | 40.5 | 63% | 0.626 | 22% | 0.219 | S | C | * | . | trans | -81 | 131.2 | 167.8 | -177.8 | -173.8 | -5.1 | 0 | 0 | 109.9 | M183 S184 L190 | M183-Q188 WeakPolarHBondContact CG-O 3.38Å; S184-Q188 PolarHBondContact N-O 2.91Å; S184-Q188 WeakPolarHBondContact OG-CA 3.42Å; S184-Q188 WeakPolarHBondContact OG-CB 3.35Å; S184-Q188 PolarHBondContact OG-N 3.31Å; S184-Q188 PolarHBondContact OG-O 3.29Å; Q188-L190 PolarHBondContact O-N 3.5Å | ||
| 189 | V | 93.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 39.8 Ų | 39.8 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 119 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | L181 A192 L283 | L181-V189 HydrophobicContact CD1-CG1 4.14Å; L181-V189 HydrophobicContact CD1-CG2 4.31Å; V189-A192 HydrophobicContact CG1-CB 3.71Å; V189-L283 HydrophobicContact CG2-CD1 3.7Å |
| 190 | L | 94.3 | Very high | 94.1 | Very high | 83 Ų | 83 | 39.8 Ų | 39.8 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -37.7 | 177.6 | -60.1 | 177.4 | 0 | 0 | 0 | 111.4 | L182 Q188 | L182-L190 HydrophobicContact CD2-CB 4.39Å; L182-L190 HydrophobicContact CD2-CD1 4.33Å; L182-L190 HydrophobicContact CG-CB 4.28Å; L182-L190 HydrophobicContact CG-CD1 4.24Å; L182-L190 WeakPolarHBondContact O-CA 3.31Å; L182-L190 WeakPolarHBondContact O-CB 3.17Å; L182-L190 PolarHBondContact O-N 3.19Å; Q188-L190 PolarHBondContact O-N 3.5Å |
| 191 | S | 95.1 | Very high | 94.1 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 42% | 0.42 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 135.3 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 109.1 | L181 L182 | L181-S191 CarbonylContact C-O 3.54Å; L181-S191 WeakPolarHBondContact CA-O 3.33Å; L182-S191 PolarHBondContact N-O 2.66Å; L182-S191 PolarHBondContact O-N 2.86Å; L182-S191 VanDerWaalsContact O-N 3.13Å |
| 192 | A | 95.6 | Very high | 94.1 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 130.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | N180 L181 V189 I281 L283 | N180-A192 VanDerWaalsContact O-CA 3.28Å; N180-A192 WeakPolarHBondContact O-CA 3.44Å; L181-A192 HydrophobicContact CD1-CB 4.35Å; V189-A192 HydrophobicContact CG1-CB 3.71Å; A192-I281 HydrophobicContact CB-CD1 4.29Å; A192-L283 HydrophobicContact CB-CD2 4.35Å |
| 193 | H | 96.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 43 Ų | 43 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 150.5 | 169.6 | 67.8 | -82.2 | 0 | 0 | 0 | 110.5 | N180 T277 T278 I281 | N180-H193 WeakPolarHBondContact CB-CE1 3.49Å; N180-H193 PolarHBondContact N-O 2.97Å; N180-H193 PolarHBondContact ND2-CD2 2.76Å; N180-H193 PolarHBondContact ND2-CE1 3.29Å; N180-H193 PolarHBondContact ND2-NE2 3.15Å; N180-H193 PolarHBondContact O-N 2.92Å; H193-T277 CarbonylContact C-O 3.55Å; H193-T277 WeakPolarHBondContact CA-O 3.35Å; H193-T278 HydrophobicContact CB-CG2 3.81Å; H193-I281 VanDerWaalsContact CA-CD1 3.47Å |
| 194 | V | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.9 | 172.7 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | E177 S178 V179 R276 T277 I281 P394 | E177-V194 HydrophobicContact CB-CG1 3.75Å; E177-V194 HydrophobicContact CG-CG1 3.94Å; S178-V194 WeakPolarHBondContact O-CA 3.3Å; V179-V194 HydrophobicContact CG2-CG2 4.36Å; V194-R276 WeakPolarHBondContact O-CA 3.4Å; V194-T277 PolarHBondContact N-O 3.41Å; V194-T277 PolarHBondContact O-N 3.43Å; V194-I281 HydrophobicContact CG2-CB 4.34Å; V194-I281 HydrophobicContact CG2-CD1 4.09Å; V194-I281 HydrophobicContact CG2-CG1 3.93Å; V194-I281 HydrophobicContact CG2-CG2 3.48Å; V194-I281 VanDerWaalsContact CG2-CG2 3.48Å; V194-P394 HydrophobicContact CG2-CB 3.99Å |
| 195 | S | 97.6 | Very high | 94.5 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 21% | 0.21 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 107.4 | 165.6 | -58.7 | 0 | 0 | 0 | 0 | 108.2 | S178 | S178-S195 PolarHBondContact N-O 2.7Å; S178-S195 PolarHBondContact O-N 3.38Å |
| 196 | G | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L176 R274 Y275 | L176-G196 CarbonylContact O-C 3.59Å; L176-G196 WeakPolarHBondContact O-CA 3.33Å; G196-R274 WeakPolarHBondContact O-CA 3.22Å; G196-R274 WeakPolarHBondContact O-CG 3.4Å; G196-Y275 PolarHBondContact N-O 2.83Å; G196-Y275 PolarHBondContact O-N 2.94Å; G196-Y275 VanDerWaalsContact O-O 3.12Å |
| 197 | R | 97.7 | Very high | 95.5 | Very high | 86 Ų | 86 | 34.6 Ų | 34.6 | 33% | 0.325 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.4 | 167.4 | 61.7 | 174.3 | 178.5 | -179.9 | 7.1 | 110.7 | L176 V199 E271 M273 R274 | L176-R197 HydrophobicContact CB-CG 3.94Å; L176-R197 PolarHBondContact N-O 2.95Å; L176-R197 PolarHBondContact O-N 3.06Å; R197-V199 HydrophobicContact CG-CG2 4.3Å; R197-E271 HydrophobicContact CB-CG 4.19Å; R197-E271 WeakPolarHBondContact CD-OE2 3.38Å; R197-E271 IonicContact NE-OE2 3.18Å; R197-E271 IonicContact NH1-OE2 2.76Å; R197-E271 PolarHBondContact NH1-OE2 2.87Å; R197-M273 CarbonylContact C-O 3.51Å; R197-M273 VanDerWaalsContact CA-O 3.28Å; R197-M273 WeakPolarHBondContact CA-O 3.39Å; R197-R274 HydrophobicContact CB-CG 4.31Å |
| 198 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 107.6 | 174.3 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | L173 D174 F212 L272 M273 Y275 | L173-V198 HydrophobicContact CD2-CG1 4.17Å; D174-V198 WeakPolarHBondContact O-CA 3.34Å; V198-F212 HydrophobicContact CG2-CZ 4.42Å; V198-L272 PolarHBondContact O-N 2.88Å; V198-M273 HydrophobicContact CB-CG 3.78Å; V198-M273 HydrophobicContact CG2-CG 3.64Å; V198-M273 HydrophobicContact CG2-SD 4.1Å; V198-M273 PolarHBondContact N-O 2.89Å; V198-Y275 HydrophobicContact CG2-CE1 4.03Å |
| 199 | V | 98.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.6 | 174 | 179.6 | 0 | 0 | 0 | 0 | 108 | D174 L176 R197 E269 | D174-V199 HydrophobicContact CB-CB 4.2Å; D174-V199 PolarHBondContact N-O 3.41Å; D174-V199 PolarHBondContact O-N 3.05Å; L176-V199 HydrophobicContact CD1-CG2 4.02Å; R197-V199 HydrophobicContact CG-CG2 4.3Å; V199-E269 HydrophobicContact CG1-CG 3.78Å |
| 200 | M | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.5 | -178.2 | -178.5 | 167.3 | 178.3 | 0 | 0 | 109.3 | L171 F172 L173 F263 P265 E269 F270 | L171-M200 HydrophobicContact CB-CE 4.47Å; L171-M200 HydrophobicContact CD1-CE 3.71Å; L171-M200 HydrophobicContact CD2-CE 3.24Å; L171-M200 HydrophobicContact CG-CE 3.98Å; F172-M200 CarbonylContact O-C 3.33Å; F172-M200 WeakPolarHBondContact O-CA 3.45Å; L173-M200 HydrophobicContact CD2-CB 3.74Å; L173-M200 HydrophobicContact CD2-CG 3.68Å; L173-M200 HydrophobicContact CD2-SD 3.95Å; M200-F263 HydrophobicContact CE-CE2 4.2Å; M200-F263 HydrophobicContact CE-CZ 4.41Å; M200-F263 HydrophobicContact SD-CE2 3.71Å; M200-F263 HydrophobicContact SD-CZ 3.88Å; M200-P265 HydrophobicContact CE-CB 4.14Å; M200-P265 HydrophobicContact CE-CG 4.4Å; M200-P265 HydrophobicContact SD-CB 4.46Å; M200-E269 CarbonylContact O-C 3.53Å; M200-E269 WeakPolarHBondContact O-CA 3.44Å; M200-F270 HydrophobicContact CB-CD1 4.33Å; M200-F270 HydrophobicContact CB-CE1 3.76Å; M200-F270 HydrophobicContact CB-CZ 3.86Å; M200-F270 HydrophobicContact CG-CE1 3.8Å; M200-F270 HydrophobicContact CG-CZ 4.01Å; M200-F270 PolarHBondContact N-O 2.83Å; M200-F270 PolarHBondContact O-N 3.13Å; M200-F270 HydrophobicContact SD-CE1 3.99Å; M200-F270 HydrophobicContact SD-CZ 3.69Å |
| 201 | K | 97.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 27.1 Ų | 27.1 | 24% | 0.239 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116.2 | 165.5 | -47.3 | -169.4 | -169.5 | -143.7 | 0 | 108.3 | L171 F172 Y203 G268 E269 | L171-K201 WeakPolarHBondContact CA-O 3.47Å; F172-K201 HydrophobicContact CB-CB 4.15Å; F172-K201 HydrophobicContact CB-CG 4.5Å; F172-K201 HydrophobicContact CD2-CB 4.31Å; F172-K201 PolarHBondContact N-O 3.43Å; F172-K201 PolarHBondContact O-N 3.01Å; K201-Y203 HydrophobicContact CB-CE2 4.13Å; K201-G268 CarbonylContact C-O 3.47Å; K201-G268 VanDerWaalsContact CA-O 3.32Å; K201-G268 WeakPolarHBondContact CA-O 3.44Å; K201-E269 HydrophobicContact CD-CB 4.49Å; K201-E269 WeakPolarHBondContact CE-OE2 3.37Å; K201-E269 HydrophobicContact CG-CB 4.06Å; K201-E269 HydrophobicContact CG-CG 4.09Å; K201-E269 IonicContact NZ-OE2 2.71Å; K201-E269 PolarHBondContact NZ-OE2 2.9Å |
| 202 | S | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.8 | -174.4 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | L171 L204 P266 G268 | L171-S202 WeakPolarHBondContact CD2-OG 3.39Å; S202-L204 WeakPolarHBondContact OG-CG 3.49Å; S202-P266 WeakPolarHBondContact CB-O 3.25Å; S202-G268 PolarHBondContact N-O 2.85Å; S202-G268 PolarHBondContact O-N 2.81Å |
| 203 | Y | 97 | Very high | 96.2 | Very high | 81 Ų | 81 | 23.5 Ų | 23.5 | 32% | 0.318 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 74.7 | 172 | -55.9 | -68 | 0 | 0 | 0 | 107.8 | Y166 N169 E170 F172 K201 | Y166-Y203 AromaticContact CE1-CD1 3.72Å; Y166-Y203 HydrophobicContact CE1-CD1 3.72Å; Y166-Y203 HydrophobicContact CE1-CG 4.24Å; Y166-Y203 AromaticContact CZ-CD1 3.79Å; N169-Y203 CarbonylContact C-O 3.58Å; N169-Y203 VanDerWaalsContact CA-O 3.3Å; N169-Y203 WeakPolarHBondContact CA-O 3.32Å; E170-Y203 PolarHBondContact N-O 3.28Å; E170-Y203 PolarHBondContact O-N 2.98Å; F172-Y203 HydrophobicContact CD2-CD2 4.12Å; F172-Y203 HydrophobicContact CD2-CE2 4.05Å; F172-Y203 AromaticContact CE2-CD2 3.87Å; F172-Y203 HydrophobicContact CE2-CD2 3.87Å; F172-Y203 AromaticContact CE2-CE2 3.97Å; F172-Y203 HydrophobicContact CE2-CE2 3.97Å; K201-Y203 HydrophobicContact CB-CE2 4.13Å |
| 204 | L | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -120 | 144 | -174.1 | -64.8 | -177.5 | 0 | 0 | 0 | 110.8 | R160 I164 Y166 N169 L171 S202 P208 P265 V404 V416 | R160-L204 PolarHBondContact NH2-O 2.78Å; I164-L204 WeakPolarHBondContact CG2-O 3.18Å; Y166-L204 VanDerWaalsContact CD2-C 3.44Å; Y166-L204 VanDerWaalsContact CD2-O 3.29Å; Y166-L204 WeakPolarHBondContact CD2-O 3.1Å; Y166-L204 WeakPolarHBondContact CE2-O 3.1Å; N169-L204 HydrophobicContact CB-CD2 3.82Å; L171-L204 HydrophobicContact CD1-CD1 4.08Å; L171-L204 HydrophobicContact CD1-CD2 4.38Å; L171-L204 HydrophobicContact CD2-CD1 3.67Å; L171-L204 HydrophobicContact CD2-CD2 3.96Å; L171-L204 HydrophobicContact CD2-CG 3.63Å; L171-L204 HydrophobicContact CG-CD1 4.15Å; L171-L204 HydrophobicContact CG-CD2 3.93Å; L171-L204 HydrophobicContact CG-CG 4.15Å; S202-L204 WeakPolarHBondContact OG-CG 3.49Å; L204-P208 HydrophobicContact CB-CG 3.77Å; L204-P208 HydrophobicContact CD1-CB 4.06Å; L204-P208 HydrophobicContact CD1-CG 3.41Å; L204-P208 VanDerWaalsContact CD1-CG 3.41Å; L204-P208 HydrophobicContact CG-CG 4.25Å; L204-P265 HydrophobicContact CD1-CG 4.09Å; L204-V404 HydrophobicContact CD1-CG1 3.97Å; L204-V416 HydrophobicContact CD2-CG1 3.77Å; L204-V416 HydrophobicContact CD2-CG2 4.14Å | ||
| 205 | S | 96.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 7% | 0.07 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -83.3 | 149.4 | 175.9 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | I164 Y166 N169 Y411 | I164-S205 CarbonylContact O-C 3.58Å; I164-S205 VanDerWaalsContact O-CA 3.22Å; I164-S205 WeakPolarHBondContact O-CA 3.37Å; Y166-S205 PolarHBondContact N-OG 3.39Å; Y166-S205 PolarHBondContact O-OG 3.15Å; N169-S205 WeakPolarHBondContact OD1-CB 3.37Å; N169-S205 PolarHBondContact OD1-N 2.88Å; N169-S205 PolarHBondContact OD1-OG 3.15Å; S205-Y411 PolarHBondContact N-OH 3.13Å; S205-Y411 WeakPolarHBondContact O-CE1 3.2Å; S205-Y411 PolarHBondContact O-OH 3.14Å |
| 206 | G | 94.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 21.1 Ų | 21.1 | 8% | 0.082 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 73.1 | -145.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R160 I164 P208 | R160-G206 VanDerWaalsContact CZ-O 3.26Å; R160-G206 PolarHBondContact NE-O 3.41Å; R160-G206 PolarHBondContact NH2-O 2.74Å; I164-G206 PolarHBondContact O-N 3.19Å; G206-P208 VanDerWaalsContact C-CD 3.41Å; G206-P208 WeakPolarHBondContact O-CD 3.04Å |
| 207 | M | 94.5 | Very high | 93.8 | Very high | 27 Ų | 27 | 24.8 Ų | 24.8 | 13% | 0.133 | 11% | 0.112 | C | C | . | . | trans | -123.8 | 61.8 | -176.8 | -66 | -64.5 | -75.6 | 0 | 0 | 111.6 | I157 R160 R161 E162 I264 E406 | I157-M207 HydrophobicContact CB-CE 4.28Å; I157-M207 HydrophobicContact CD1-CE 3.89Å; I157-M207 HydrophobicContact CG2-CE 3.83Å; R160-M207 HydrophobicContact CB-CE 4.11Å; R160-M207 HydrophobicContact CB-SD 4.07Å; R160-M207 VanDerWaalsContact CD-SD 3.55Å; R160-M207 HydrophobicContact CG-CE 4.33Å; R160-M207 HydrophobicContact CG-SD 3.65Å; R161-M207 VanDerWaalsContact O-SD 3.42Å; E162-M207 HydrophobicContact CG-CG 4Å; E162-M207 HydrophobicContact CG-SD 4.26Å; M207-I264 HydrophobicContact CE-CG2 4.29Å; M207-E406 VanDerWaalsContact CA-OE2 3.24Å; M207-E406 WeakPolarHBondContact CA-OE2 3.44Å; M207-E406 PolarHBondContact N-OE2 2.69Å | ||
| 208 | P | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -70.8 | 138.1 | -168.4 | 27.4 | -36.3 | 0 | 0 | 0 | 111.9 | L204 G206 P265 V404 F405 E406 | L204-P208 HydrophobicContact CB-CG 3.77Å; L204-P208 HydrophobicContact CD1-CB 4.06Å; L204-P208 HydrophobicContact CD1-CG 3.41Å; L204-P208 VanDerWaalsContact CD1-CG 3.41Å; L204-P208 HydrophobicContact CG-CG 4.25Å; G206-P208 VanDerWaalsContact C-CD 3.41Å; G206-P208 WeakPolarHBondContact O-CD 3.04Å; P208-P265 HydrophobicContact CG-CG 4.41Å; P208-P265 WeakPolarHBondContact O-CD 3.37Å; P208-V404 HydrophobicContact CB-CG1 3.95Å; P208-F405 CarbonylContact C-O 3.58Å; P208-F405 WeakPolarHBondContact CA-O 3.38Å; P208-E406 WeakPolarHBondContact CA-OE2 3.28Å; P208-E406 HydrophobicContact CB-CB 4.24Å | ||
| 209 | E | 95.7 | Very high | 91.2 | Very high | 49 Ų | 49 | 25.1 Ų | 25.1 | 23% | 0.229 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.2 | 167.3 | -172.1 | 169.3 | 172.6 | 0 | 0 | 109.6 | R251 K254 S262 F405 | E209-R251 IonicContact OE1-NH1 2.87Å; E209-R251 PolarHBondContact OE1-NH1 2.93Å; E209-R251 IonicContact OE2-NH1 3.81Å; E209-R251 PolarHBondContact OE2-NH1 3.35Å; E209-K254 IonicContact OE1-NZ 2.69Å; E209-K254 PolarHBondContact OE1-NZ 3.43Å; E209-S262 PolarHBondContact OE1-OG 2.85Å; E209-F405 PolarHBondContact N-O 3.18Å; E209-F405 PolarHBondContact O-N 2.88Å |
| 210 | C | 96.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 146.5 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | S262 F263 K403 | C210-S262 WeakPolarHBondContact O-CA 3.4Å; C210-F263 HydrophobicContact CB-CD1 4.24Å; C210-F263 HydrophobicContact CB-CD2 4.11Å; C210-F263 HydrophobicContact CB-CE1 3.85Å; C210-F263 HydrophobicContact CB-CE2 3.72Å; C210-F263 HydrophobicContact CB-CG 4.36Å; C210-F263 HydrophobicContact CB-CZ 3.57Å; C210-F263 PolarHBondContact N-O 3.25Å; C210-F263 PolarHBondContact O-N 2.82Å; C210-K403 CarbonylContact C-O 3.52Å; C210-K403 WeakPolarHBondContact CA-O 3.41Å |
| 211 | K | 94.8 | Very high | 88.2 | Confident | 83 Ų | 83 | 32 Ų | 32 | 36% | 0.361 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.5 | 169 | -60.4 | -173.9 | -179.8 | -176.6 | 0 | 110.5 | I261 Y401 L402 K403 | K211-I261 CarbonylContact C-O 3.59Å; K211-I261 VanDerWaalsContact CA-O 3.31Å; K211-I261 WeakPolarHBondContact CA-O 3.04Å; K211-Y401 HydrophobicContact CB-CE2 4.46Å; K211-L402 CarbonylContact O-C 3.53Å; K211-L402 WeakPolarHBondContact O-CA 3.34Å; K211-K403 HydrophobicContact CB-CB 4.24Å; K211-K403 PolarHBondContact N-O 3Å; K211-K403 PolarHBondContact O-N 3.18Å |
| 212 | F | 93.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.9 | 179.3 | 173.7 | -99.2 | 0 | 0 | 0 | 110.6 | L173 V198 M214 I261 F263 L272 M273 V399 L402 | L173-F212 HydrophobicContact CD1-CD2 4.1Å; L173-F212 HydrophobicContact CD1-CE2 3.93Å; V198-F212 HydrophobicContact CG2-CZ 4.42Å; F212-M214 HydrophobicContact CE1-CB 4.15Å; F212-M214 HydrophobicContact CE1-CG 4.43Å; F212-M214 HydrophobicContact CE1-SD 4.08Å; F212-M214 HydrophobicContact CZ-CB 4.37Å; F212-I261 HydrophobicContact CB-CB 4.22Å; F212-I261 HydrophobicContact CB-CG2 4.27Å; F212-I261 HydrophobicContact CD1-CB 4.35Å; F212-I261 HydrophobicContact CD1-CD1 3.66Å; F212-I261 HydrophobicContact CE1-CD1 4.17Å; F212-I261 PolarHBondContact N-O 2.75Å; F212-F263 HydrophobicContact CB-CE1 3.8Å; F212-F263 HydrophobicContact CB-CZ 4.45Å; F212-L272 HydrophobicContact CB-CD2 4.38Å; F212-L272 HydrophobicContact CG-CD2 4.33Å; F212-M273 HydrophobicContact CD1-SD 4.48Å; F212-M273 HydrophobicContact CE1-SD 3.95Å; F212-V399 HydrophobicContact CD2-CG1 4.15Å; F212-V399 HydrophobicContact CE2-CB 4.18Å; F212-V399 HydrophobicContact CE2-CG1 3.64Å; F212-V399 HydrophobicContact CE2-CG2 3.63Å; F212-V399 HydrophobicContact CZ-CG2 4.01Å; F212-L402 HydrophobicContact CB-CD1 4.24Å; F212-L402 HydrophobicContact CD2-CD1 4.38Å |
| 213 | G | 90.2 | Very high | 85 | Confident | 6 Ų | 6 | 41 Ų | 41 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R400 Y401 | G213-R400 PolarHBondContact O-N 3.15Å; G213-Y401 PolarHBondContact N-O 2.84Å; G213-Y401 PolarHBondContact O-N 3.39Å |
| 214 | M | 90.7 | Very high | 83.1 | Confident | 12 Ų | 12 | 39.8 Ų | 39.8 | 6% | 0.059 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 167 | 176.9 | 61.4 | -166.2 | 154.4 | 0 | 0 | 111.4 | F212 D216 I241 I261 M273 L397 K398 R400 | F212-M214 HydrophobicContact CE1-CB 4.15Å; F212-M214 HydrophobicContact CE1-CG 4.43Å; F212-M214 HydrophobicContact CE1-SD 4.08Å; F212-M214 HydrophobicContact CZ-CB 4.37Å; M214-D216 HydrophobicContact CG-CB 4.16Å; M214-D216 PolarHBondContact O-N 2.74Å; M214-I241 HydrophobicContact CE-CD1 3.79Å; M214-I241 HydrophobicContact SD-CD1 3.66Å; M214-I261 HydrophobicContact CE-CD1 3.52Å; M214-M273 HydrophobicContact CE-CE 3.95Å; M214-M273 HydrophobicContact CE-SD 4.21Å; M214-M273 HydrophobicContact SD-CE 4.17Å; M214-M273 HydrophobicContact SD-SD 4.23Å; M214-L397 HydrophobicContact SD-CD1 3.99Å; M214-K398 WeakPolarHBondContact CA-O 3.33Å; M214-R400 WeakPolarHBondContact O-CD 3.39Å |
| 215 | N | 89.4 | Confident | 81 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | trans | -76 | 43.3 | 177.1 | 63.8 | -33 | 0 | 0 | 0 | 113.4 | K217 I220 Q237 S238 I239 G396 K398 R400 | N215-K217 PolarHBondContact O-N 3.44Å; N215-I220 HydrophobicContact CB-CD1 3.95Å; N215-I220 WeakPolarHBondContact O-CD1 3.48Å; N215-Q237 PolarHBondContact ND2-O 2.7Å; N215-S238 CarbonylContact O-C 3.59Å; N215-S238 VanDerWaalsContact O-CA 3.25Å; N215-S238 WeakPolarHBondContact O-CA 3.26Å; N215-I239 PolarHBondContact O-N 2.85Å; N215-G396 PolarHBondContact ND2-O 3.17Å; N215-K398 PolarHBondContact N-O 2.86Å; N215-K398 PolarHBondContact OD1-N 2.9Å; N215-K398 PolarHBondContact OD1-O 3.37Å; N215-R400 HydrophobicContact CB-CG 4.28Å | ||
| 216 | D | 82.4 | Confident | 78.7 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 128.9 | 176.3 | -179.9 | 4.6 | 0 | 0 | 0 | 110.5 | M214 I218 V219 I220 | M214-D216 HydrophobicContact CG-CB 4.16Å; M214-D216 PolarHBondContact O-N 2.74Å; D216-I218 VanDerWaalsContact C-N 3.26Å; D216-I218 PolarHBondContact O-N 2.9Å; D216-I218 PolarHBondContact OD1-N 3.49Å; D216-V219 HydrophobicContact CB-CB 4.28Å; D216-V219 HydrophobicContact CB-CG2 3.92Å; D216-V219 PolarHBondContact O-N 2.87Å; D216-V219 VanDerWaalsContact O-N 3.13Å; D216-I220 WeakPolarHBondContact O-CG1 3.42Å; D216-I220 PolarHBondContact O-N 2.88Å |
| 217 | K | 76.3 | Confident | 76.3 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.1 | -41 | -179 | -173.3 | 170.6 | -178.8 | 176.4 | 0 | 112.1 | N215 V219 I220 E221 I239 | N215-K217 PolarHBondContact O-N 3.44Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 2.86Å; K217-I220 PolarHBondContact O-N 3.22Å; K217-E221 WeakPolarHBondContact CE-OE1 3.46Å; K217-E221 HydrophobicContact CG-CG 4.43Å; K217-E221 WeakPolarHBondContact CG-OE1 3.44Å; K217-E221 WeakPolarHBondContact O-CB 3.35Å; K217-E221 WeakPolarHBondContact O-CG 3.28Å; K217-E221 PolarHBondContact O-N 2.84Å; K217-I239 WeakPolarHBondContact CB-O 3.29Å; K217-I239 PolarHBondContact N-O 2.77Å |
| 218 | I | 73.6 | Confident | 73.9 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 36% | 0.359 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 179.7 | -61.5 | 173.1 | 0 | 0 | 0 | 110.8 | D216 K222 R259 | D216-I218 VanDerWaalsContact C-N 3.26Å; D216-I218 PolarHBondContact O-N 2.9Å; D216-I218 PolarHBondContact OD1-N 3.49Å; I218-K222 WeakPolarHBondContact O-CG 3.45Å; I218-K222 PolarHBondContact O-N 2.95Å; I218-R259 HydrophobicContact CG2-CG 4.49Å |
| 219 | V | 67.4 | Low | 71.1 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | D216 K217 K222 Q223 R259 | D216-V219 HydrophobicContact CB-CB 4.28Å; D216-V219 HydrophobicContact CB-CG2 3.92Å; D216-V219 PolarHBondContact O-N 2.87Å; D216-V219 VanDerWaalsContact O-N 3.13Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 2.86Å; V219-K222 PolarHBondContact O-N 2.92Å; V219-Q223 WeakPolarHBondContact O-CG 3.38Å; V219-Q223 PolarHBondContact O-N 3.04Å; V219-Q223 VanDerWaalsContact O-N 3.15Å; V219-R259 HydrophobicContact CG2-CB 3.48Å; V219-R259 VanDerWaalsContact CG2-CB 3.48Å; V219-R259 HydrophobicContact CG2-CG 4.31Å |
| 220 | I | 64.3 | Low | 68.5 | Low | 38 Ų | 38 | 71.8 Ų | 71.8 | 20% | 0.195 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.1 | -42.3 | -179.3 | -68.6 | 168 | 0 | 0 | 0 | 110.9 | N215 D216 K217 Q223 G224 | N215-I220 HydrophobicContact CB-CD1 3.95Å; N215-I220 WeakPolarHBondContact O-CD1 3.48Å; D216-I220 WeakPolarHBondContact O-CG1 3.42Å; D216-I220 PolarHBondContact O-N 2.88Å; K217-I220 PolarHBondContact O-N 3.22Å; I220-Q223 PolarHBondContact O-N 3.07Å; I220-G224 PolarHBondContact O-N 3.39Å |
| 221 | E | 67.6 | Low | 65.7 | Low | 114 Ų | 114 | 78 Ų | 78 | 53% | 0.533 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 178.2 | -74.4 | 175.7 | -175.1 | 0 | 0 | 112.4 | K217 G224 | K217-E221 WeakPolarHBondContact CE-OE1 3.46Å; K217-E221 HydrophobicContact CG-CG 4.43Å; K217-E221 WeakPolarHBondContact CG-OE1 3.44Å; K217-E221 WeakPolarHBondContact O-CB 3.35Å; K217-E221 WeakPolarHBondContact O-CG 3.28Å; K217-E221 PolarHBondContact O-N 2.84Å; E221-G224 PolarHBondContact O-N 2.8Å |
| 222 | K | 64.9 | Low | 63 | Low | 135 Ų | 135 | 78.6 Ų | 78.6 | 59% | 0.587 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.8 | -38.6 | 173.7 | -76 | -174.6 | 177.8 | -172.3 | 0 | 112.6 | I218 V219 | I218-K222 WeakPolarHBondContact O-CG 3.45Å; I218-K222 PolarHBondContact O-N 2.95Å; V219-K222 PolarHBondContact O-N 2.92Å |
| 223 | Q | 62.1 | Low | 60.5 | Low | 111 Ų | 111 | 86.7 Ų | 86.7 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74.6 | -27.1 | 177 | -72.8 | 179.2 | -5.6 | 0 | 0 | 113 | V219 I220 K225 | V219-Q223 WeakPolarHBondContact O-CG 3.38Å; V219-Q223 PolarHBondContact O-N 3.04Å; V219-Q223 VanDerWaalsContact O-N 3.15Å; I220-Q223 PolarHBondContact O-N 3.07Å; Q223-K225 VanDerWaalsContact C-N 3.32Å; Q223-K225 PolarHBondContact O-N 2.87Å |
| 224 | G | 57.1 | Low | 58 | Low | 54 Ų | 54 | 91.6 Ų | 91.6 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -75.5 | -9.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I220 E221 G226 | I220-G224 PolarHBondContact O-N 3.39Å; E221-G224 PolarHBondContact O-N 2.8Å; G224-G226 VanDerWaalsContact C-N 3.28Å; G224-G226 PolarHBondContact O-N 2.81Å |
| 225 | K | 53.6 | Low | 55.9 | Low | 196 Ų | 196 | 94.2 Ų | 94.2 | 85% | 0.852 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -80.7 | 0.6 | 177.4 | -75.8 | -172.2 | 175 | -175.3 | 0 | 114.7 | Q223 | Q223-K225 VanDerWaalsContact C-N 3.32Å; Q223-K225 PolarHBondContact O-N 2.87Å |
| 226 | G | 47.7 | Very low | 54.2 | Low | 64 Ų | 64 | 102.7 Ų | 102.7 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -98.4 | -11.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | G224 | G224-G226 VanDerWaalsContact C-N 3.28Å; G224-G226 PolarHBondContact O-N 2.81Å |
| 227 | T | 44.1 | Very low | 53.5 | Low | 123 Ų | 123 | 107.5 Ų | 107.5 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | trans | -151.5 | 105.2 | -178 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | D229 | T227-D229 PolarHBondContact O-N 2.85Š| ||
| 228 | A | 43.6 | Very low | 53.6 | Low | 105 Ų | 105 | 105.4 Ų | 105.4 | 87% | 0.868 | 60% | 0.602 | S | S | * | * | trans | -70.2 | 104.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 229 | D | 37.5 | Very low | 54.1 | Low | 132 Ų | 132 | 102.2 Ų | 102.2 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | trans | -144.3 | 95.5 | 158.4 | -129.8 | -11.1 | 0 | 0 | 0 | 107.9 | T227 T231 | T227-D229 PolarHBondContact O-N 2.85Å; D229-T231 PolarHBondContact O-N 2.83Å | ||
| 230 | E | 40.8 | Very low | 55 | Low | 147 Ų | 147 | 102.1 Ų | 102.1 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 7.2 | -167.7 | -82.7 | -147 | 115.4 | 0 | 0 | 115 | K233 | E230-K233 IonicContact OE1-NZ 3.67Å; E230-K233 PolarHBondContact OE1-NZ 2.95Å |
| 231 | T | 37.6 | Very low | 56.2 | Low | 130 Ų | 130 | 101.7 Ų | 101.7 | 80% | 0.798 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 7 | -170.2 | 45.9 | 0 | 0 | 0 | 0 | 115.4 | D229 | D229-T231 PolarHBondContact O-N 2.83Š|
| 232 | S | 38.4 | Very low | 57.3 | Low | 95 Ų | 95 | 99.1 Ų | 99.1 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | trans | -128.3 | 42.9 | 177.5 | 65.1 | 0 | 0 | 0 | 0 | 114.9 | S234 | S232-S234 PolarHBondContact O-N 2.87Š| ||
| 233 | K | 40.4 | Very low | 58.6 | Low | 172 Ų | 172 | 96 Ų | 96 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | trans | -70.8 | 33.7 | 172.1 | -74.6 | 179.4 | -177.4 | 160.5 | 0 | 113.9 | E230 | E230-K233 IonicContact OE1-NZ 3.67Å; E230-K233 PolarHBondContact OE1-NZ 2.95Å | ||
| 234 | S | 38.1 | Very low | 60 | Low | 108 Ų | 108 | 92.5 Ų | 92.5 | 76% | 0.755 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -109.5 | 100.7 | 170.9 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | S232 | S232-S234 PolarHBondContact O-N 2.87Š|
| 235 | G | 46.8 | Very low | 61.8 | Low | 68 Ų | 68 | 94 Ų | 94 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | trans | 94.3 | 19.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | Q237 | G235-Q237 PolarHBondContact O-N 3.46Š| ||
| 236 | K | 54.9 | Low | 63.8 | Low | 185 Ų | 185 | 86.7 Ų | 86.7 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | trans | -72.2 | 84.7 | 163.6 | -78.6 | -178 | -176.3 | 168.8 | 0 | 109.8 | S238 | K236-S238 PolarHBondContact O-N 2.78Š| ||
| 237 | Q | 65.9 | Low | 66.1 | Low | 109 Ų | 109 | 86.1 Ų | 86.1 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | trans | -55.4 | 109 | 170.8 | -72.4 | 177.7 | -32.1 | 0 | 0 | 108.6 | N215 G235 | N215-Q237 PolarHBondContact ND2-O 2.7Å; G235-Q237 PolarHBondContact O-N 3.46Å | ||
| 238 | S | 79 | Confident | 68.4 | Low | 36 Ų | 36 | 85.4 Ų | 85.4 | 25% | 0.252 | 49% | 0.487 | S | S | . | . | trans | -106.7 | 148.4 | 173.2 | 58.7 | 0 | 0 | 0 | 0 | 109 | N215 K236 | N215-S238 CarbonylContact O-C 3.59Å; N215-S238 VanDerWaalsContact O-CA 3.25Å; N215-S238 WeakPolarHBondContact O-CA 3.26Å; K236-S238 PolarHBondContact O-N 2.78Å | ||
| 239 | I | 85.3 | Confident | 70.8 | Confident | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.01 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 132.1 | 174.4 | -177.4 | 171.9 | 0 | 0 | 0 | 109.6 | N215 K217 I241 Y275 T277 S395 L397 | N215-I239 PolarHBondContact O-N 2.85Å; K217-I239 WeakPolarHBondContact CB-O 3.29Å; K217-I239 PolarHBondContact N-O 2.77Å; I239-I241 HydrophobicContact CD1-CG1 3.98Å; I239-I241 HydrophobicContact CG1-CG1 3.96Å; I239-I241 HydrophobicContact CG2-CD1 4.28Å; I239-I241 HydrophobicContact CG2-CG1 4.14Å; I239-Y275 HydrophobicContact CD1-CD2 4.39Å; I239-Y275 HydrophobicContact CD1-CE2 4.17Å; I239-T277 HydrophobicContact CG1-CG2 4.47Å; I239-S395 WeakPolarHBondContact CD1-OG 3.37Å; I239-L397 HydrophobicContact CD1-CB 3.84Å; I239-L397 HydrophobicContact CD1-CD1 4.15Å; I239-L397 HydrophobicContact CD1-CG 4.45Å |
| 240 | A | 85.3 | Confident | 73.6 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 17% | 0.165 | 42% | 0.416 | C | S | . | . | trans | -90.7 | 105.2 | 165 | 0 | 0 | 0 | 0 | 0 | 108.5 | T277 | A240-T277 WeakPolarHBondContact O-CB 3.45Å; A240-T277 WeakPolarHBondContact O-CG2 3.33Å; A240-T277 PolarHBondContact O-OG1 3.42Å | ||
| 241 | I | 90.1 | Very high | 76.1 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | trans | -87 | 122.4 | 175.6 | -62.7 | 174.7 | 0 | 0 | 0 | 107.7 | M214 I239 D243 C244 | M214-I241 HydrophobicContact CE-CD1 3.79Å; M214-I241 HydrophobicContact SD-CD1 3.66Å; I239-I241 HydrophobicContact CD1-CG1 3.98Å; I239-I241 HydrophobicContact CG1-CG1 3.96Å; I239-I241 HydrophobicContact CG2-CD1 4.28Å; I239-I241 HydrophobicContact CG2-CG1 4.14Å; I241-D243 VanDerWaalsContact CG2-O 3.27Å; I241-D243 WeakPolarHBondContact CG2-O 3.06Å; I241-C244 HydrophobicContact CG2-CB 4.05Å | ||
| 242 | D | 90.9 | Very high | 78.7 | Confident | 60 Ų | 60 | 70.6 Ų | 70.6 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -77.7 | -45 | 179 | -62.6 | -36 | 0 | 0 | 0 | 110.8 | R276 T277 T278 | D242-R276 PolarHBondContact N-O 3.48Å; D242-T277 WeakPolarHBondContact OD2-CA 3.49Å; D242-T278 PolarHBondContact OD1-OG1 3.15Å; D242-T278 WeakPolarHBondContact OD2-CB 3.22Å; D242-T278 WeakPolarHBondContact OD2-CG2 3.17Å; D242-T278 PolarHBondContact OD2-N 3.09Å; D242-T278 PolarHBondContact OD2-OG1 2.84Å |
| 243 | D | 90.6 | Very high | 81.2 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 150.1 | 176.1 | 50.8 | -94.5 | 0 | 0 | 0 | 110.4 | I241 Y275 R276 | I241-D243 VanDerWaalsContact CG2-O 3.27Å; I241-D243 WeakPolarHBondContact CG2-O 3.06Å; D243-Y275 CarbonylContact O-C 3.57Å; D243-Y275 VanDerWaalsContact O-CA 3.26Å; D243-Y275 WeakPolarHBondContact O-CA 3.47Å; D243-R276 PolarHBondContact O-N 2.91Å; D243-R276 IonicContact OD1-CZ 3.39Å; D243-R276 IonicContact OD1-NE 3.13Å; D243-R276 PolarHBondContact OD1-NE 2.9Å; D243-R276 IonicContact OD1-NH2 3.23Å; D243-R276 PolarHBondContact OD1-NH2 2.93Å; D243-R276 VanDerWaalsContact OD2-CB 3.3Å; D243-R276 WeakPolarHBondContact OD2-CB 3.34Å; D243-R276 IonicContact OD2-NE 2.87Å |
| 244 | C | 93 | Very high | 83.4 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 26% | 0.257 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 147.4 | 174.2 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | I241 F246 M273 R274 | I241-C244 HydrophobicContact CG2-CB 4.05Å; C244-F246 HydrophobicContact CB-CE2 4.39Å; C244-F246 HydrophobicContact CB-CZ 4.2Å; C244-F246 VanDerWaalsContact SG-CE2 3.57Å; C244-F246 VanDerWaalsContact SG-CZ 3.59Å; C244-M273 HydrophobicContact CB-CE 4.08Å; C244-R274 CarbonylContact C-O 3.59Å; C244-R274 WeakPolarHBondContact CA-O 3.34Å; C244-R274 WeakPolarHBondContact CB-O 3.32Å |
| 245 | T | 94.9 | Very high | 85.7 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.4 | 173.3 | 62.4 | 0 | 0 | 0 | 0 | 108.2 | M273 R274 | T245-M273 CarbonylContact O-C 3.56Å; T245-M273 VanDerWaalsContact O-CA 3.23Å; T245-M273 WeakPolarHBondContact O-CA 3.3Å; T245-M273 WeakPolarHBondContact O-CB 3.07Å; T245-R274 PolarHBondContact N-O 2.79Å; T245-R274 PolarHBondContact O-N 2.9Å; T245-R274 WeakPolarHBondContact OG1-CB 3.04Å |
| 246 | F | 95.8 | Very high | 87.5 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 18% | 0.184 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 154.7 | -176.2 | -62.9 | -75.7 | 0 | 0 | 0 | 111.3 | C244 V250 L252 F255 I261 M273 | C244-F246 HydrophobicContact CB-CE2 4.39Å; C244-F246 HydrophobicContact CB-CZ 4.2Å; C244-F246 VanDerWaalsContact SG-CE2 3.57Å; C244-F246 VanDerWaalsContact SG-CZ 3.59Å; F246-V250 HydrophobicContact CB-CB 3.79Å; F246-V250 HydrophobicContact CB-CG1 4.17Å; F246-V250 HydrophobicContact CB-CG2 3.86Å; F246-V250 HydrophobicContact CD1-CB 4.38Å; F246-V250 HydrophobicContact CD1-CG1 4.1Å; F246-V250 HydrophobicContact CD1-CG2 4.04Å; F246-V250 HydrophobicContact CG-CB 4.19Å; F246-V250 HydrophobicContact CG-CG1 4.03Å; F246-V250 HydrophobicContact CG-CG2 4.25Å; F246-L252 HydrophobicContact CB-CD2 4.19Å; F246-L252 HydrophobicContact CD2-CD2 3.59Å; F246-L252 HydrophobicContact CE2-CD2 4.4Å; F246-L252 HydrophobicContact CG-CD2 4.19Å; F246-F255 AromaticContact CE2-CD1 3.82Å; F246-F255 HydrophobicContact CE2-CD1 3.82Å; F246-F255 HydrophobicContact CE2-CD2 4.4Å; F246-F255 AromaticContact CE2-CE1 3.69Å; F246-F255 HydrophobicContact CE2-CE1 3.69Å; F246-F255 HydrophobicContact CE2-CE2 4.31Å; F246-F255 HydrophobicContact CE2-CG 4.16Å; F246-F255 AromaticContact CE2-CZ 3.96Å; F246-F255 HydrophobicContact CE2-CZ 3.96Å; F246-F255 HydrophobicContact CZ-CD1 4.21Å; F246-F255 HydrophobicContact CZ-CD2 4.02Å; F246-F255 AromaticContact CZ-CE1 3.92Å; F246-F255 HydrophobicContact CZ-CE1 3.92Å; F246-F255 AromaticContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CG 4.24Å; F246-F255 AromaticContact CZ-CZ 3.67Å; F246-F255 HydrophobicContact CZ-CZ 3.67Å; F246-I261 HydrophobicContact CE1-CD1 3.54Å; F246-I261 HydrophobicContact CE1-CG1 3.76Å; F246-I261 HydrophobicContact CE1-CG2 4.47Å; F246-I261 HydrophobicContact CZ-CD1 4.11Å; F246-I261 HydrophobicContact CZ-CG1 4.19Å; F246-M273 HydrophobicContact CD1-CB 3.63Å; F246-M273 HydrophobicContact CE1-CB 3.87Å; F246-M273 HydrophobicContact CE1-CE 4Å; F246-M273 HydrophobicContact CE1-SD 4.01Å; F246-M273 HydrophobicContact CZ-CE 4.48Å |
| 247 | H | 94.8 | Very high | 88.7 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | trans | -61.9 | 149.8 | 161.3 | -165.9 | -94.5 | 0 | 0 | 0 | 110 | C249 V250 E271 L272 | H247-C249 PolarHBondContact ND1-N 2.79Å; H247-C249 PolarHBondContact ND1-SG 3.27Å; H247-C249 PolarHBondContact O-N 2.92Å; H247-V250 WeakPolarHBondContact O-CB 3.43Å; H247-V250 PolarHBondContact O-N 2.9Å; H247-E271 WeakPolarHBondContact CB-O 3.39Å; H247-L272 WeakPolarHBondContact CB-O 3.24Å; H247-L272 PolarHBondContact N-O 3.41Å | ||
| 248 | Q | 92.6 | Very high | 89.2 | Confident | 108 Ų | 108 | 58 Ų | 58 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.2 | 177.9 | 61.4 | 175.6 | 0.1 | 0 | 0 | 114.5 | E125 W159 V250 | E125-Q248 PolarHBondContact OE1-NE2 2.8Å; E125-Q248 PolarHBondContact OE2-NE2 2.91Å; W159-Q248 HydrophobicContact CD2-CG 4.48Å; W159-Q248 HydrophobicContact CE3-CG 3.85Å; W159-Q248 HydrophobicContact CZ3-CG 4.16Å; Q248-V250 PolarHBondContact O-N 2.83Å |
| 249 | C | 94.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.2 | 177.1 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | W159 H247 F263 I264 | W159-C249 HydrophobicContact CD2-CB 4.05Å; W159-C249 VanDerWaalsContact CE2-CB 3.46Å; W159-C249 HydrophobicContact CG-CB 4.29Å; W159-C249 VanDerWaalsContact CZ2-CA 3.46Å; W159-C249 HydrophobicContact CZ2-CB 3.84Å; W159-C249 VanDerWaalsContact NE1-CB 3.3Å; H247-C249 PolarHBondContact ND1-N 2.79Å; H247-C249 PolarHBondContact ND1-SG 3.27Å; H247-C249 PolarHBondContact O-N 2.92Å; C249-F263 HydrophobicContact CB-CB 4.33Å; C249-F263 WeakPolarHBondContact O-CA 3.35Å; C249-F263 WeakPolarHBondContact O-CB 3.38Å; C249-I264 WeakPolarHBondContact CB-O 3.48Å |
| 250 | V | 96.2 | Very high | 89 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 129.5 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | F246 H247 Q248 L252 I261 F263 L272 | F246-V250 HydrophobicContact CB-CB 3.79Å; F246-V250 HydrophobicContact CB-CG1 4.17Å; F246-V250 HydrophobicContact CB-CG2 3.86Å; F246-V250 HydrophobicContact CD1-CB 4.38Å; F246-V250 HydrophobicContact CD1-CG1 4.1Å; F246-V250 HydrophobicContact CD1-CG2 4.04Å; F246-V250 HydrophobicContact CG-CB 4.19Å; F246-V250 HydrophobicContact CG-CG1 4.03Å; F246-V250 HydrophobicContact CG-CG2 4.25Å; H247-V250 WeakPolarHBondContact O-CB 3.43Å; H247-V250 PolarHBondContact O-N 2.9Å; Q248-V250 PolarHBondContact O-N 2.83Å; V250-L252 HydrophobicContact CG1-CD2 4.47Å; V250-L252 PolarHBondContact O-N 3.29Å; V250-I261 HydrophobicContact CG1-CG2 3.94Å; V250-I261 HydrophobicContact CG2-CG2 3.93Å; V250-F263 HydrophobicContact CG2-CB 4.11Å; V250-L272 HydrophobicContact CG2-CD1 3.78Å |
| 251 | R | 93.8 | Very high | 89.4 | Confident | 95 Ų | 95 | 60 Ų | 60 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | trans | -76.5 | 89 | 175.1 | -64.8 | 174.6 | 172.5 | 170.6 | -10.4 | 110.1 | E209 S253 K254 F255 S262 | E209-R251 IonicContact OE1-NH1 2.87Å; E209-R251 PolarHBondContact OE1-NH1 2.93Å; E209-R251 IonicContact OE2-NH1 3.81Å; E209-R251 PolarHBondContact OE2-NH1 3.35Å; R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 PolarHBondContact O-N 2.9Å; R251-K254 HydrophobicContact CB-CB 4.34Å; R251-K254 HydrophobicContact CB-CD 4.31Å; R251-K254 HydrophobicContact CB-CG 4.25Å; R251-K254 PolarHBondContact O-N 3.18Å; R251-F255 PolarHBondContact O-N 2.63Å; R251-S262 PolarHBondContact N-O 2.85Å | ||
| 252 | L | 92.1 | Very high | 89.7 | Confident | 95 Ų | 95 | 58.5 Ų | 58.5 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.3 | -37.2 | -176.9 | -64.1 | -179.3 | 0 | 0 | 0 | 113.2 | F246 V250 K254 F255 D256 | F246-L252 HydrophobicContact CB-CD2 4.19Å; F246-L252 HydrophobicContact CD2-CD2 3.59Å; F246-L252 HydrophobicContact CE2-CD2 4.4Å; F246-L252 HydrophobicContact CG-CD2 4.19Å; V250-L252 HydrophobicContact CG1-CD2 4.47Å; V250-L252 PolarHBondContact O-N 3.29Å; L252-K254 VanDerWaalsContact C-N 3.27Å; L252-K254 PolarHBondContact O-N 2.95Å; L252-F255 CarbonylContact O-C 3.5Å; L252-F255 WeakPolarHBondContact O-CA 3.41Å; L252-F255 WeakPolarHBondContact O-CB 3.39Å; L252-F255 PolarHBondContact O-N 3.03Å; L252-D256 PolarHBondContact O-N 2.9Å |
| 253 | S | 89.3 | Confident | 89.9 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 65% | 0.65 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58 | -36.8 | 176.6 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | R251 S257 | R251-S253 VanDerWaalsContact C-N 3.26Å; R251-S253 PolarHBondContact O-N 2.9Å; S253-S257 PolarHBondContact O-N 3.42Å; S253-S257 PolarHBondContact O-OG 2.97Å; S253-S257 VanDerWaalsContact O-OG 3.14Å |
| 254 | K | 86.8 | Confident | 90.2 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 27% | 0.265 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.5 | -31.8 | 174 | -67.4 | -171.1 | -179.8 | -176 | 0 | 112.1 | E209 R251 L252 S257 E258 | E209-K254 IonicContact OE1-NZ 2.69Å; E209-K254 PolarHBondContact OE1-NZ 3.43Å; R251-K254 HydrophobicContact CB-CB 4.34Å; R251-K254 HydrophobicContact CB-CD 4.31Å; R251-K254 HydrophobicContact CB-CG 4.25Å; R251-K254 PolarHBondContact O-N 3.18Å; L252-K254 VanDerWaalsContact C-N 3.27Å; L252-K254 PolarHBondContact O-N 2.95Å; K254-S257 PolarHBondContact O-OG 2.74Å; K254-E258 WeakPolarHBondContact O-CB 3.4Å; K254-E258 PolarHBondContact O-N 3.19Å |
| 255 | F | 88 | Confident | 90.4 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | 175.4 | -179.6 | -103.4 | 0 | 0 | 0 | 111.4 | F246 R251 L252 R259 I261 | F246-F255 AromaticContact CE2-CD1 3.82Å; F246-F255 HydrophobicContact CE2-CD1 3.82Å; F246-F255 HydrophobicContact CE2-CD2 4.4Å; F246-F255 AromaticContact CE2-CE1 3.69Å; F246-F255 HydrophobicContact CE2-CE1 3.69Å; F246-F255 HydrophobicContact CE2-CE2 4.31Å; F246-F255 HydrophobicContact CE2-CG 4.16Å; F246-F255 AromaticContact CE2-CZ 3.96Å; F246-F255 HydrophobicContact CE2-CZ 3.96Å; F246-F255 HydrophobicContact CZ-CD1 4.21Å; F246-F255 HydrophobicContact CZ-CD2 4.02Å; F246-F255 AromaticContact CZ-CE1 3.92Å; F246-F255 HydrophobicContact CZ-CE1 3.92Å; F246-F255 AromaticContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CG 4.24Å; F246-F255 AromaticContact CZ-CZ 3.67Å; F246-F255 HydrophobicContact CZ-CZ 3.67Å; R251-F255 PolarHBondContact O-N 2.63Å; L252-F255 CarbonylContact O-C 3.5Å; L252-F255 WeakPolarHBondContact O-CA 3.41Å; L252-F255 WeakPolarHBondContact O-CB 3.39Å; L252-F255 PolarHBondContact O-N 3.03Å; F255-R259 WeakPolarHBondContact O-CA 3.1Å; F255-R259 WeakPolarHBondContact O-CD 3.41Å; F255-R259 PolarHBondContact O-N 3.45Å; F255-I261 HydrophobicContact CD2-CG1 3.77Å; F255-I261 HydrophobicContact CE2-CD1 4.41Å; F255-I261 HydrophobicContact CE2-CG1 4.05Å |
| 256 | D | 83.7 | Confident | 90.3 | Very high | 112 Ų | 112 | 48 Ų | 48 | 60% | 0.599 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.6 | -40.2 | -180 | -68.2 | -25.4 | 0 | 0 | 0 | 112.3 | L252 | L252-D256 PolarHBondContact O-N 2.9Å |
| 257 | S | 80.8 | Confident | 90.2 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.3 | -53.1 | 179.4 | 59.4 | 0 | 0 | 0 | 0 | 113 | S253 K254 | S253-S257 PolarHBondContact O-N 3.42Å; S253-S257 PolarHBondContact O-OG 2.97Å; S253-S257 VanDerWaalsContact O-OG 3.14Å; K254-S257 PolarHBondContact O-OG 2.74Å |
| 258 | E | 76.7 | Confident | 90.1 | Very high | 124 Ų | 124 | 47 Ų | 47 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -105.5 | -9.3 | -168.3 | -64.1 | 170.8 | -157.6 | 0 | 0 | 113.4 | K254 S260 | K254-E258 WeakPolarHBondContact O-CB 3.4Å; K254-E258 PolarHBondContact O-N 3.19Å; E258-S260 PolarHBondContact O-N 2.82Å |
| 259 | R | 77.7 | Confident | 90.2 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | trans | 54 | 32.7 | -168.7 | -63.4 | -69.7 | -174.5 | 179.8 | 1.7 | 112.5 | I218 V219 F255 | I218-R259 HydrophobicContact CG2-CG 4.49Å; V219-R259 HydrophobicContact CG2-CB 3.48Å; V219-R259 VanDerWaalsContact CG2-CB 3.48Å; V219-R259 HydrophobicContact CG2-CG 4.31Å; F255-R259 WeakPolarHBondContact O-CA 3.1Å; F255-R259 WeakPolarHBondContact O-CD 3.41Å; F255-R259 PolarHBondContact O-N 3.45Å | ||
| 260 | S | 81.5 | Confident | 90.2 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | trans | -108.3 | 124.1 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 110 | E258 S262 | E258-S260 PolarHBondContact O-N 2.82Å; S260-S262 PolarHBondContact O-N 2.82Å | ||
| 261 | I | 93.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 96.1 | 179.3 | -63 | 162.1 | 0 | 0 | 0 | 107.8 | K211 F212 M214 F246 V250 F255 F263 M273 | K211-I261 CarbonylContact C-O 3.59Å; K211-I261 VanDerWaalsContact CA-O 3.31Å; K211-I261 WeakPolarHBondContact CA-O 3.04Å; F212-I261 HydrophobicContact CB-CB 4.22Å; F212-I261 HydrophobicContact CB-CG2 4.27Å; F212-I261 HydrophobicContact CD1-CB 4.35Å; F212-I261 HydrophobicContact CD1-CD1 3.66Å; F212-I261 HydrophobicContact CE1-CD1 4.17Å; F212-I261 PolarHBondContact N-O 2.75Å; M214-I261 HydrophobicContact CE-CD1 3.52Å; F246-I261 HydrophobicContact CE1-CD1 3.54Å; F246-I261 HydrophobicContact CE1-CG1 3.76Å; F246-I261 HydrophobicContact CE1-CG2 4.47Å; F246-I261 HydrophobicContact CZ-CD1 4.11Å; F246-I261 HydrophobicContact CZ-CG1 4.19Å; V250-I261 HydrophobicContact CG1-CG2 3.94Å; V250-I261 HydrophobicContact CG2-CG2 3.93Å; F255-I261 HydrophobicContact CD2-CG1 3.77Å; F255-I261 HydrophobicContact CE2-CD1 4.41Å; F255-I261 HydrophobicContact CE2-CG1 4.05Å; I261-F263 HydrophobicContact CG2-CD1 3.89Å; I261-F263 HydrophobicContact CG2-CE1 4.13Å; I261-M273 HydrophobicContact CD1-SD 3.86Å |
| 262 | S | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.5 | 178.8 | 166.3 | 0 | 0 | 0 | 0 | 109.9 | E209 C210 R251 S260 | E209-S262 PolarHBondContact OE1-OG 2.85Å; C210-S262 WeakPolarHBondContact O-CA 3.4Å; R251-S262 PolarHBondContact N-O 2.85Å; S260-S262 PolarHBondContact O-N 2.82Å |
| 263 | F | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 160.5 | -172.8 | 60.7 | -77.9 | 0 | 0 | 0 | 112.5 | M200 C210 F212 C249 V250 I261 P265 F270 L272 L402 | M200-F263 HydrophobicContact CE-CE2 4.2Å; M200-F263 HydrophobicContact CE-CZ 4.41Å; M200-F263 HydrophobicContact SD-CE2 3.71Å; M200-F263 HydrophobicContact SD-CZ 3.88Å; C210-F263 HydrophobicContact CB-CD1 4.24Å; C210-F263 HydrophobicContact CB-CD2 4.11Å; C210-F263 HydrophobicContact CB-CE1 3.85Å; C210-F263 HydrophobicContact CB-CE2 3.72Å; C210-F263 HydrophobicContact CB-CG 4.36Å; C210-F263 HydrophobicContact CB-CZ 3.57Å; C210-F263 PolarHBondContact N-O 3.25Å; C210-F263 PolarHBondContact O-N 2.82Å; F212-F263 HydrophobicContact CB-CE1 3.8Å; F212-F263 HydrophobicContact CB-CZ 4.45Å; C249-F263 HydrophobicContact CB-CB 4.33Å; C249-F263 WeakPolarHBondContact O-CA 3.35Å; C249-F263 WeakPolarHBondContact O-CB 3.38Å; V250-F263 HydrophobicContact CG2-CB 4.11Å; I261-F263 HydrophobicContact CG2-CD1 3.89Å; I261-F263 HydrophobicContact CG2-CE1 4.13Å; F263-P265 HydrophobicContact CD2-CB 4.11Å; F263-P265 HydrophobicContact CE2-CB 3.93Å; F263-P265 HydrophobicContact CE2-CG 4.48Å; F263-F270 HydrophobicContact CE2-CZ 4.22Å; F263-L272 HydrophobicContact CD1-CD1 3.98Å; F263-L272 HydrophobicContact CD2-CD1 3.78Å; F263-L272 HydrophobicContact CE1-CD1 3.95Å; F263-L272 HydrophobicContact CE1-CD2 3.87Å; F263-L272 HydrophobicContact CE2-CD1 3.73Å; F263-L272 HydrophobicContact CE2-CD2 4.26Å; F263-L272 HydrophobicContact CG-CD1 3.91Å; F263-L272 HydrophobicContact CZ-CD1 3.82Å; F263-L272 HydrophobicContact CZ-CD2 3.63Å; F263-L272 HydrophobicContact CZ-CG 4.39Å; F263-L402 HydrophobicContact CZ-CD1 4.45Å |
| 264 | I | 96.3 | Very high | 91 | Very high | 17 Ų | 17 | 44.7 Ų | 44.7 | 9% | 0.087 | 22% | 0.218 | C | C | . | . | trans | -106.3 | 113.1 | 165.7 | -67.4 | 167 | 0 | 0 | 0 | 106.5 | I157 W159 R160 M207 C249 | I157-I264 HydrophobicContact CD1-CD1 3.44Å; I157-I264 VanDerWaalsContact CD1-CD1 3.44Å; W159-I264 PolarHBondContact NE1-O 3.29Å; R160-I264 HydrophobicContact CB-CG2 4.37Å; M207-I264 HydrophobicContact CE-CG2 4.29Å; C249-I264 WeakPolarHBondContact CB-O 3.48Å | ||
| 265 | P | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 135.8 | -170.9 | 26.2 | -32.2 | 0 | 0 | 0 | 111.9 | R160 M200 L204 P208 F263 F270 | R160-P265 WeakPolarHBondContact CD-O 3.44Å; R160-P265 PolarHBondContact NH1-O 2.65Å; M200-P265 HydrophobicContact CE-CB 4.14Å; M200-P265 HydrophobicContact CE-CG 4.4Å; M200-P265 HydrophobicContact SD-CB 4.46Å; L204-P265 HydrophobicContact CD1-CG 4.09Å; P208-P265 HydrophobicContact CG-CG 4.41Å; P208-P265 WeakPolarHBondContact O-CD 3.37Å; F263-P265 HydrophobicContact CD2-CB 4.11Å; F263-P265 HydrophobicContact CE2-CB 3.93Å; F263-P265 HydrophobicContact CE2-CG 4.48Å; P265-F270 HydrophobicContact CB-CE1 3.74Å; P265-F270 HydrophobicContact CB-CZ 3.71Å |
| 266 | P | 94.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -49 | 152.4 | 157.9 | -22.6 | 31.3 | 0 | 0 | 0 | 111.4 | W159 S202 F270 | W159-P266 HydrophobicContact CB-CG 4.12Å; W159-P266 HydrophobicContact CG-CG 4.21Å; S202-P266 WeakPolarHBondContact CB-O 3.25Å; P266-F270 HydrophobicContact CB-CB 4.39Å; P266-F270 HydrophobicContact CB-CD1 4Å; P266-F270 HydrophobicContact CB-CE1 4.5Å; P266-F270 HydrophobicContact CB-CG 4.1Å; P266-F270 HydrophobicContact CG-CB 4.36Å; P266-F270 HydrophobicContact CG-CD1 4.12Å; P266-F270 HydrophobicContact CG-CD2 3.95Å; P266-F270 HydrophobicContact CG-CE1 4.44Å; P266-F270 HydrophobicContact CG-CE2 4.28Å; P266-F270 HydrophobicContact CG-CG 3.88Å |
| 267 | D | 93.2 | Very high | 92.4 | Very high | 59 Ų | 59 | 40.7 Ų | 40.7 | 32% | 0.316 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -78.6 | 140.5 | 176.2 | -164.6 | 61.9 | 0 | 0 | 0 | 111.3 | R160 I164 Y166 | R160-D267 IonicContact NH1-OD1 2.7Å; I164-D267 HydrophobicContact CD1-CB 3.81Å; Y166-D267 WeakPolarHBondContact CE2-OD1 3.38Å; Y166-D267 VanDerWaalsContact OH-CG 3.27Å; Y166-D267 PolarHBondContact OH-OD1 2.85Å; Y166-D267 VanDerWaalsContact OH-OD1 3.07Å; Y166-D267 PolarHBondContact OH-OD2 3.36Å |
| 268 | G | 93.5 | Very high | 93 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.4 | -148.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K201 S202 | K201-G268 CarbonylContact C-O 3.47Å; K201-G268 VanDerWaalsContact CA-O 3.32Å; K201-G268 WeakPolarHBondContact CA-O 3.44Å; S202-G268 PolarHBondContact N-O 2.85Å; S202-G268 PolarHBondContact O-N 2.81Å |
| 269 | E | 94.4 | Very high | 93.5 | Very high | 125 Ų | 125 | 40.3 Ų | 40.3 | 58% | 0.584 | 19% | 0.185 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.1 | -173.9 | -176.7 | 172.7 | 147.3 | 0 | 0 | 112.1 | V199 M200 K201 | V199-E269 HydrophobicContact CG1-CG 3.78Å; M200-E269 CarbonylContact O-C 3.53Å; M200-E269 WeakPolarHBondContact O-CA 3.44Å; K201-E269 HydrophobicContact CD-CB 4.49Å; K201-E269 WeakPolarHBondContact CE-OE2 3.37Å; K201-E269 HydrophobicContact CG-CB 4.06Å; K201-E269 HydrophobicContact CG-CG 4.09Å; K201-E269 IonicContact NZ-OE2 2.71Å; K201-E269 PolarHBondContact NZ-OE2 2.9Å |
| 270 | F | 94.4 | Very high | 93.9 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 9% | 0.088 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 158.5 | 173.9 | 71.9 | -78 | 0 | 0 | 0 | 111.7 | M200 F263 P265 P266 L272 | M200-F270 HydrophobicContact CB-CD1 4.33Å; M200-F270 HydrophobicContact CB-CE1 3.76Å; M200-F270 HydrophobicContact CB-CZ 3.86Å; M200-F270 HydrophobicContact CG-CE1 3.8Å; M200-F270 HydrophobicContact CG-CZ 4.01Å; M200-F270 PolarHBondContact N-O 2.83Å; M200-F270 PolarHBondContact O-N 3.13Å; M200-F270 HydrophobicContact SD-CE1 3.99Å; M200-F270 HydrophobicContact SD-CZ 3.69Å; F263-F270 HydrophobicContact CE2-CZ 4.22Å; P265-F270 HydrophobicContact CB-CE1 3.74Å; P265-F270 HydrophobicContact CB-CZ 3.71Å; P266-F270 HydrophobicContact CB-CB 4.39Å; P266-F270 HydrophobicContact CB-CD1 4Å; P266-F270 HydrophobicContact CB-CE1 4.5Å; P266-F270 HydrophobicContact CB-CG 4.1Å; P266-F270 HydrophobicContact CG-CB 4.36Å; P266-F270 HydrophobicContact CG-CD1 4.12Å; P266-F270 HydrophobicContact CG-CD2 3.95Å; P266-F270 HydrophobicContact CG-CE1 4.44Å; P266-F270 HydrophobicContact CG-CE2 4.28Å; P266-F270 HydrophobicContact CG-CG 3.88Å; F270-L272 HydrophobicContact CE2-CB 3.89Å; F270-L272 HydrophobicContact CE2-CD1 3.97Å; F270-L272 HydrophobicContact CZ-CB 4.49Å; F270-L272 HydrophobicContact CZ-CD1 4.47Å |
| 271 | E | 96.7 | Very high | 94.4 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 111.9 | 172.4 | -171 | 174.4 | 123.9 | 0 | 0 | 109 | R197 H247 | R197-E271 HydrophobicContact CB-CG 4.19Å; R197-E271 WeakPolarHBondContact CD-OE2 3.38Å; R197-E271 IonicContact NE-OE2 3.18Å; R197-E271 IonicContact NH1-OE2 2.76Å; R197-E271 PolarHBondContact NH1-OE2 2.87Å; H247-E271 WeakPolarHBondContact CB-O 3.39Å |
| 272 | L | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -44.6 | -178.7 | 173.4 | 63.1 | 0 | 0 | 0 | 111.6 | V198 F212 H247 V250 F263 F270 | V198-L272 PolarHBondContact O-N 2.88Å; F212-L272 HydrophobicContact CB-CD2 4.38Å; F212-L272 HydrophobicContact CG-CD2 4.33Å; H247-L272 WeakPolarHBondContact CB-O 3.24Å; H247-L272 PolarHBondContact N-O 3.41Å; V250-L272 HydrophobicContact CG2-CD1 3.78Å; F263-L272 HydrophobicContact CD1-CD1 3.98Å; F263-L272 HydrophobicContact CD2-CD1 3.78Å; F263-L272 HydrophobicContact CE1-CD1 3.95Å; F263-L272 HydrophobicContact CE1-CD2 3.87Å; F263-L272 HydrophobicContact CE2-CD1 3.73Å; F263-L272 HydrophobicContact CE2-CD2 4.26Å; F263-L272 HydrophobicContact CG-CD1 3.91Å; F263-L272 HydrophobicContact CZ-CD1 3.82Å; F263-L272 HydrophobicContact CZ-CD2 3.63Å; F263-L272 HydrophobicContact CZ-CG 4.39Å; F270-L272 HydrophobicContact CE2-CB 3.89Å; F270-L272 HydrophobicContact CE2-CD1 3.97Å; F270-L272 HydrophobicContact CZ-CB 4.49Å; F270-L272 HydrophobicContact CZ-CD1 4.47Å |
| 273 | M | 96.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 155.3 | 179.8 | 65.7 | 174.2 | -67.7 | 0 | 0 | 111.9 | R197 V198 F212 M214 C244 T245 F246 I261 Y275 | R197-M273 CarbonylContact C-O 3.51Å; R197-M273 VanDerWaalsContact CA-O 3.28Å; R197-M273 WeakPolarHBondContact CA-O 3.39Å; V198-M273 HydrophobicContact CB-CG 3.78Å; V198-M273 HydrophobicContact CG2-CG 3.64Å; V198-M273 HydrophobicContact CG2-SD 4.1Å; V198-M273 PolarHBondContact N-O 2.89Å; F212-M273 HydrophobicContact CD1-SD 4.48Å; F212-M273 HydrophobicContact CE1-SD 3.95Å; M214-M273 HydrophobicContact CE-CE 3.95Å; M214-M273 HydrophobicContact CE-SD 4.21Å; M214-M273 HydrophobicContact SD-CE 4.17Å; M214-M273 HydrophobicContact SD-SD 4.23Å; C244-M273 HydrophobicContact CB-CE 4.08Å; T245-M273 CarbonylContact O-C 3.56Å; T245-M273 VanDerWaalsContact O-CA 3.23Å; T245-M273 WeakPolarHBondContact O-CA 3.3Å; T245-M273 WeakPolarHBondContact O-CB 3.07Å; F246-M273 HydrophobicContact CD1-CB 3.63Å; F246-M273 HydrophobicContact CE1-CB 3.87Å; F246-M273 HydrophobicContact CE1-CE 4Å; F246-M273 HydrophobicContact CE1-SD 4.01Å; F246-M273 HydrophobicContact CZ-CE 4.48Å; I261-M273 HydrophobicContact CD1-SD 3.86Å; M273-Y275 HydrophobicContact CE-CD1 3.95Å; M273-Y275 HydrophobicContact CE-CG 4.35Å |
| 274 | R | 97.4 | Very high | 94.3 | Very high | 140 Ų | 140 | 47.2 Ų | 47.2 | 53% | 0.528 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.2 | 167.7 | -158.7 | 176.1 | -172.6 | 178.1 | 2.1 | 108.6 | G196 R197 C244 T245 | G196-R274 WeakPolarHBondContact O-CA 3.22Å; G196-R274 WeakPolarHBondContact O-CG 3.4Å; R197-R274 HydrophobicContact CB-CG 4.31Å; C244-R274 CarbonylContact C-O 3.59Å; C244-R274 WeakPolarHBondContact CA-O 3.34Å; C244-R274 WeakPolarHBondContact CB-O 3.32Å; T245-R274 PolarHBondContact N-O 2.79Å; T245-R274 PolarHBondContact O-N 2.9Å; T245-R274 WeakPolarHBondContact OG1-CB 3.04Å |
| 275 | Y | 95.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.7 | 178.6 | 59.3 | -83.1 | 0 | 0 | 0 | 111.1 | V175 E177 G196 V198 I239 D243 M273 L397 | V175-Y275 VanDerWaalsContact CG1-OH 3.25Å; V175-Y275 WeakPolarHBondContact CG1-OH 3.28Å; E177-Y275 WeakPolarHBondContact CG-OH 3.21Å; E177-Y275 WeakPolarHBondContact OE1-CE2 3.33Å; E177-Y275 PolarHBondContact OE1-OH 2.92Å; G196-Y275 PolarHBondContact N-O 2.83Å; G196-Y275 PolarHBondContact O-N 2.94Å; G196-Y275 VanDerWaalsContact O-O 3.12Å; V198-Y275 HydrophobicContact CG2-CE1 4.03Å; I239-Y275 HydrophobicContact CD1-CD2 4.39Å; I239-Y275 HydrophobicContact CD1-CE2 4.17Å; D243-Y275 CarbonylContact O-C 3.57Å; D243-Y275 VanDerWaalsContact O-CA 3.26Å; D243-Y275 WeakPolarHBondContact O-CA 3.47Å; M273-Y275 HydrophobicContact CE-CD1 3.95Å; M273-Y275 HydrophobicContact CE-CG 4.35Å; Y275-L397 HydrophobicContact CD1-CD1 4.43Å; Y275-L397 HydrophobicContact CD2-CD1 4.39Å; Y275-L397 HydrophobicContact CE1-CD1 3.89Å; Y275-L397 HydrophobicContact CE2-CD1 3.84Å |
| 276 | R | 96 | Very high | 94.2 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 37% | 0.366 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.6 | 173.6 | -169.2 | 177.6 | 63.4 | 108.7 | 5.2 | 110.2 | V194 D242 D243 | V194-R276 WeakPolarHBondContact O-CA 3.4Å; D242-R276 PolarHBondContact N-O 3.48Å; D243-R276 PolarHBondContact O-N 2.91Å; D243-R276 IonicContact OD1-CZ 3.39Å; D243-R276 IonicContact OD1-NE 3.13Å; D243-R276 PolarHBondContact OD1-NE 2.9Å; D243-R276 IonicContact OD1-NH2 3.23Å; D243-R276 PolarHBondContact OD1-NH2 2.93Å; D243-R276 VanDerWaalsContact OD2-CB 3.3Å; D243-R276 WeakPolarHBondContact OD2-CB 3.34Å; D243-R276 IonicContact OD2-NE 2.87Å |
| 277 | T | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 134 | 175.5 | -70.1 | 0 | 0 | 0 | 0 | 109.6 | H193 V194 I239 A240 D242 K279 I281 | H193-T277 CarbonylContact C-O 3.55Å; H193-T277 WeakPolarHBondContact CA-O 3.35Å; V194-T277 PolarHBondContact N-O 3.41Å; V194-T277 PolarHBondContact O-N 3.43Å; I239-T277 HydrophobicContact CG1-CG2 4.47Å; A240-T277 WeakPolarHBondContact O-CB 3.45Å; A240-T277 WeakPolarHBondContact O-CG2 3.33Å; A240-T277 PolarHBondContact O-OG1 3.42Å; D242-T277 WeakPolarHBondContact OD2-CA 3.49Å; T277-K279 WeakPolarHBondContact CG2-O 3.3Å; T277-I281 HydrophobicContact CG2-CG1 4.34Å; T277-I281 WeakPolarHBondContact O-CD1 3.47Å |
| 278 | T | 94 | Very high | 94.2 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 36% | 0.362 | 24% | 0.24 | S | C | . | . | trans | -111.4 | -10.4 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | H193 D242 | H193-T278 HydrophobicContact CB-CG2 3.81Å; D242-T278 PolarHBondContact OD1-OG1 3.15Å; D242-T278 WeakPolarHBondContact OD2-CB 3.22Å; D242-T278 WeakPolarHBondContact OD2-CG2 3.17Å; D242-T278 PolarHBondContact OD2-N 3.09Å; D242-T278 PolarHBondContact OD2-OG1 2.84Å | ||
| 279 | K | 87.4 | Confident | 94.2 | Very high | 129 Ų | 129 | 51.8 Ų | 51.8 | 56% | 0.561 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -112.2 | 152 | -174.8 | -62.5 | 179.7 | -176.9 | 174.5 | 0 | 111.7 | T277 I281 | T277-K279 WeakPolarHBondContact CG2-O 3.3Å; K279-I281 PolarHBondContact O-N 3.31Å; K279-I281 VanDerWaalsContact O-N 3.09Å |
| 280 | D | 87.2 | Confident | 94.1 | Very high | 118 Ų | 118 | 51.3 Ų | 51.3 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 54.8 | 30.3 | 172.4 | -53.7 | -39.3 | 0 | 0 | 0 | 114.9 | ||
| 281 | I | 91.6 | Very high | 94 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.138 | 24% | 0.242 | C | C | . | . | trans | -77.5 | 131.5 | -179.3 | -57.5 | 162.2 | 0 | 0 | 0 | 110.3 | A192 H193 V194 T277 K279 L283 P394 | A192-I281 HydrophobicContact CB-CD1 4.29Å; H193-I281 VanDerWaalsContact CA-CD1 3.47Å; V194-I281 HydrophobicContact CG2-CB 4.34Å; V194-I281 HydrophobicContact CG2-CD1 4.09Å; V194-I281 HydrophobicContact CG2-CG1 3.93Å; V194-I281 HydrophobicContact CG2-CG2 3.48Å; V194-I281 VanDerWaalsContact CG2-CG2 3.48Å; T277-I281 HydrophobicContact CG2-CG1 4.34Å; T277-I281 WeakPolarHBondContact O-CD1 3.47Å; K279-I281 PolarHBondContact O-N 3.31Å; K279-I281 VanDerWaalsContact O-N 3.09Å; I281-L283 HydrophobicContact CG2-CD2 4.1Å; I281-L283 PolarHBondContact O-N 3Å; I281-P394 HydrophobicContact CG2-CB 4.48Å | ||
| 282 | I | 92.3 | Very high | 93.8 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | trans | -82.8 | 109.6 | 170.1 | -57.1 | 170.3 | 0 | 0 | 0 | 108.5 | P284 F392 P394 | I282-P284 VanDerWaalsContact O-CD 3.22Å; I282-P284 WeakPolarHBondContact O-CD 3.35Å; I282-F392 HydrophobicContact CB-CE2 4.26Å; I282-F392 HydrophobicContact CG2-CE2 4.03Å; I282-F392 HydrophobicContact CG2-CZ 4.3Å; I282-P394 PolarHBondContact N-O 2.49Å | ||
| 283 | L | 94.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | trans | -77.5 | 113.4 | 174.1 | -60.7 | -178.1 | 0 | 0 | 0 | 110 | V179 L181 V189 A192 I281 F285 | V179-L283 HydrophobicContact CG1-CD2 4.22Å; L181-L283 HydrophobicContact CD1-CD1 3.42Å; L181-L283 VanDerWaalsContact CD1-CD1 3.42Å; L181-L283 HydrophobicContact CD1-CD2 3.44Å; L181-L283 VanDerWaalsContact CD1-CD2 3.44Å; L181-L283 HydrophobicContact CD1-CG 4.01Å; V189-L283 HydrophobicContact CG2-CD1 3.7Å; A192-L283 HydrophobicContact CB-CD2 4.35Å; I281-L283 HydrophobicContact CG2-CD2 4.1Å; I281-L283 PolarHBondContact O-N 3Å; L283-F285 VanDerWaalsContact C-N 3.28Å; L283-F285 PolarHBondContact O-N 2.95Å | ||
| 284 | P | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -70.9 | -24.7 | -171.8 | -20.7 | 34.6 | 0 | 0 | 0 | 113.5 | I282 S307 N308 F309 F388 V390 F392 P394 | I282-P284 VanDerWaalsContact O-CD 3.22Å; I282-P284 WeakPolarHBondContact O-CD 3.35Å; P284-S307 WeakPolarHBondContact O-CA 3.31Å; P284-N308 PolarHBondContact O-N 2.54Å; P284-F309 HydrophobicContact CB-CD1 4.1Å; P284-F309 VanDerWaalsContact O-CD1 3.24Å; P284-F309 WeakPolarHBondContact O-CD1 3.28Å; P284-F388 HydrophobicContact CB-CE2 4.07Å; P284-F388 HydrophobicContact CB-CZ 4.27Å; P284-F388 HydrophobicContact CG-CE2 3.8Å; P284-F388 HydrophobicContact CG-CZ 3.95Å; P284-V390 HydrophobicContact CB-CG1 4.09Å; P284-V390 HydrophobicContact CG-CG2 4.25Å; P284-F392 HydrophobicContact CB-CE1 4.47Å; P284-F392 HydrophobicContact CB-CZ 4.07Å; P284-F392 HydrophobicContact CG-CZ 3.91Å; P284-P394 HydrophobicContact CG-CG 4.35Å |
| 285 | F | 96.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 163.4 | 179.5 | -68 | -81 | 0 | 0 | 0 | 111.2 | L283 K306 F309 A315 I318 M356 M386 F388 V390 Y429 | L283-F285 VanDerWaalsContact C-N 3.28Å; L283-F285 PolarHBondContact O-N 2.95Å; F285-K306 CarbonylContact C-O 3.51Å; F285-K306 VanDerWaalsContact CA-O 3.24Å; F285-K306 WeakPolarHBondContact CA-O 3.32Å; F285-F309 HydrophobicContact CE1-CE1 4.22Å; F285-F309 HydrophobicContact CE2-CE1 4.29Å; F285-F309 AromaticContact CZ-CE1 3.94Å; F285-F309 HydrophobicContact CZ-CE1 3.94Å; F285-F309 HydrophobicContact CZ-CZ 4.45Å; F285-A315 HydrophobicContact CE2-CB 4.08Å; F285-A315 HydrophobicContact CZ-CB 3.54Å; F285-I318 HydrophobicContact CE1-CD1 4.35Å; F285-I318 HydrophobicContact CZ-CD1 3.91Å; F285-I318 HydrophobicContact CZ-CG1 4.29Å; F285-M356 HydrophobicContact CE1-SD 3.9Å; F285-M386 HydrophobicContact CB-CE 4Å; F285-M386 HydrophobicContact CB-SD 3.73Å; F285-M386 HydrophobicContact CD1-CE 3.47Å; F285-M386 VanDerWaalsContact CD1-CE 3.47Å; F285-M386 HydrophobicContact CD1-SD 4.34Å; F285-M386 HydrophobicContact CD2-CE 3.64Å; F285-M386 HydrophobicContact CD2-SD 4.15Å; F285-M386 HydrophobicContact CE1-CE 3.72Å; F285-M386 HydrophobicContact CE2-CE 3.91Å; F285-M386 HydrophobicContact CG-CE 3.41Å; F285-M386 VanDerWaalsContact CG-CE 3.41Å; F285-M386 HydrophobicContact CG-SD 3.82Å; F285-M386 HydrophobicContact CZ-CE 3.93Å; F285-F388 HydrophobicContact CD2-CB 4.34Å; F285-F388 AromaticContact CD2-CD1 3.57Å; F285-F388 HydrophobicContact CD2-CD1 3.57Å; F285-F388 HydrophobicContact CD2-CD2 4.16Å; F285-F388 AromaticContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE2 4.37Å; F285-F388 AromaticContact CD2-CG 3.76Å; F285-F388 HydrophobicContact CD2-CG 3.76Å; F285-F388 HydrophobicContact CD2-CZ 4.2Å; F285-F388 HydrophobicContact CE2-CB 3.73Å; F285-F388 AromaticContact CE2-CD1 3.85Å; F285-F388 HydrophobicContact CE2-CD1 3.85Å; F285-F388 AromaticContact CE2-CD2 3.89Å; F285-F388 HydrophobicContact CE2-CD2 3.89Å; F285-F388 HydrophobicContact CE2-CE1 4.44Å; F285-F388 HydrophobicContact CE2-CE2 4.47Å; F285-F388 AromaticContact CE2-CG 3.54Å; F285-F388 HydrophobicContact CE2-CG 3.54Å; F285-V390 HydrophobicContact CE2-CG1 4.27Å; F285-Y429 HydrophobicContact CB-CE1 4.49Å; F285-Y429 PolarHBondContact O-OH 2.71Å |
| 286 | R | 94.6 | Very high | 92 | Very high | 119 Ų | 119 | 68.9 Ų | 68.9 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 122.5 | 164 | -174.1 | 175.2 | -178.1 | 167.7 | 0.1 | 107.3 | M183 G187 I288 I305 K306 | M183-R286 HydrophobicContact CE-CG 4.24Å; M183-R286 HydrophobicContact SD-CG 4.42Å; G187-R286 PolarHBondContact O-NH2 3.13Å; R286-I288 HydrophobicContact CG-CG1 4.18Å; R286-I305 WeakPolarHBondContact O-CA 3.25Å; R286-K306 PolarHBondContact N-O 3.36Å; R286-K306 PolarHBondContact O-N 3.19Å |
| 287 | V | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.7 | 178.2 | -175.1 | 0 | 0 | 0 | 0 | 108 | M183 P289 V303 V304 I305 I384 M386 | M183-V287 WeakPolarHBondContact CE-O 3.24Å; V287-P289 WeakPolarHBondContact O-CD 3.38Å; V287-V303 HydrophobicContact CG1-CG1 3.74Å; V287-V304 CarbonylContact C-O 3.6Å; V287-I305 HydrophobicContact CG1-CG2 4.29Å; V287-I305 HydrophobicContact CG2-CG2 4.12Å; V287-I384 HydrophobicContact CG1-CG2 4Å; V287-M386 HydrophobicContact CG2-CB 4.37Å; V287-M386 HydrophobicContact CG2-SD 3.75Å |
| 288 | I | 93.8 | Very high | 91.6 | Very high | 63 Ų | 63 | 70.5 Ų | 70.5 | 32% | 0.323 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 98.3 | -178.7 | -55 | 172.1 | 0 | 0 | 0 | 106.9 | R286 V304 K306 | R286-I288 HydrophobicContact CG-CG1 4.18Å; I288-V304 HydrophobicContact CB-CB 4.31Å; I288-V304 PolarHBondContact N-O 2.78Å; I288-V304 PolarHBondContact O-N 2.82Å; I288-K306 HydrophobicContact CD1-CD 4.27Å |
| 289 | P | 93.7 | Very high | 91.5 | Very high | 15 Ų | 15 | 67.8 Ų | 67.8 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 138.1 | 176.1 | 35.5 | -34 | 0 | 0 | 0 | 111.6 | V287 V303 I384 T431 C433 | V287-P289 WeakPolarHBondContact O-CD 3.38Å; P289-V303 HydrophobicContact CB-CG2 4.47Å; P289-I384 HydrophobicContact CB-CD1 3.36Å; P289-I384 HydrophobicContact CG-CD1 4.17Å; P289-T431 HydrophobicContact CG-CG2 3.86Å; P289-C433 HydrophobicContact CB-CB 4.04Å; P289-C433 HydrophobicContact CG-CB 4.03Å |
| 290 | L | 92.6 | Very high | 91.9 | Very high | 115 Ų | 115 | 64 Ų | 64 | 60% | 0.602 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 115.9 | 170.6 | -174 | 85.8 | 0 | 0 | 0 | 107.2 | V301 K302 | L290-V301 WeakPolarHBondContact O-CA 3.46Å; L290-K302 HydrophobicContact CB-CB 4.27Å; L290-K302 HydrophobicContact CD2-CB 4.48Å; L290-K302 PolarHBondContact N-O 3.02Å; L290-K302 PolarHBondContact O-N 3.16Å |
| 291 | V | 91.5 | Very high | 92.2 | Very high | 26 Ų | 26 | 58.8 Ų | 58.8 | 16% | 0.158 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.9 | -179.2 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | L299 E300 V301 C433 | V291-L299 HydrophobicContact CG1-CD1 3.56Å; V291-L299 HydrophobicContact CG1-CD2 4.34Å; V291-L299 HydrophobicContact CG1-CG 4.13Å; V291-E300 WeakPolarHBondContact CA-O 3.07Å; V291-V301 HydrophobicContact CG1-CG2 4.35Å; V291-V301 HydrophobicContact CG2-CG1 4.31Å; V291-V301 HydrophobicContact CG2-CG2 4.33Å; V291-C433 HydrophobicContact CG2-CB 3.96Å |
| 292 | R | 91.4 | Very high | 92.4 | Very high | 142 Ų | 142 | 61.4 Ų | 61.4 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.4 | 178.9 | -173.2 | 178.4 | 78.8 | 176.1 | 5.1 | 109.9 | V294 E300 | R292-V294 HydrophobicContact CG-CG2 4.38Å; R292-E300 HydrophobicContact CB-CB 4.41Å; R292-E300 IonicContact CZ-OE1 2.68Å; R292-E300 IonicContact CZ-OE2 3.19Å; R292-E300 PolarHBondContact N-O 2.79Å; R292-E300 IonicContact NE-OE2 3.41Å; R292-E300 PolarHBondContact NE-OE2 2.91Å; R292-E300 VanDerWaalsContact NE-OE2 3.14Å; R292-E300 IonicContact NH2-OE1 2.65Å; R292-E300 PolarHBondContact NH2-OE1 3.17Å; R292-E300 IonicContact NH2-OE2 3.76Å; R292-E300 PolarHBondContact NH2-OE2 3.28Å; R292-E300 PolarHBondContact O-N 3.14Å |
| 293 | E | 88.9 | Confident | 92.6 | Very high | 96 Ų | 96 | 58.5 Ų | 58.5 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.5 | 169.8 | -75.7 | 168.3 | -150.3 | 0 | 0 | 109.2 | L299 R381 | E293-L299 HydrophobicContact CB-CD1 4.38Å; E293-L299 HydrophobicContact CG-CD1 3.43Å; E293-L299 VanDerWaalsContact CG-CD1 3.43Å; E293-R381 IonicContact OE1-CZ 2.9Å; E293-R381 IonicContact OE1-NE 3.33Å; E293-R381 IonicContact OE1-NH2 3.14Å; E293-R381 PolarHBondContact OE1-NH2 2.8Å |
| 294 | V | 89.9 | Confident | 92.6 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 98.8 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | R292 K298 E300 | R292-V294 HydrophobicContact CG-CG2 4.38Å; V294-K298 HydrophobicContact CB-CB 4.18Å; V294-K298 PolarHBondContact N-O 2.67Å; V294-K298 PolarHBondContact O-N 3.49Å; V294-E300 HydrophobicContact CG2-CG 4.22Å |
| 295 | G | 85.8 | Confident | 92.6 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 68% | 0.68 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -138.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 296 | R | 84.8 | Confident | 92.6 | Very high | 221 Ų | 221 | 61.2 Ų | 61.2 | 83% | 0.834 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -4.9 | 178.9 | -65.9 | -172.5 | 178.7 | 173.7 | 2.2 | 114.1 | ||
| 297 | T | 89.6 | Confident | 92.7 | Very high | 77 Ų | 77 | 55.9 Ų | 55.9 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -5.3 | -168.1 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | L370 P372 | T297-L370 PolarHBondContact O-N 3.45Å; T297-P372 HydrophobicContact CG2-CG 4.08Å |
| 298 | K | 92.3 | Very high | 92.7 | Very high | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 139.4 | -177.1 | -170.5 | 179.1 | -174.5 | -175.8 | 0 | 111.7 | V294 E300 E367 I368 | V294-K298 HydrophobicContact CB-CB 4.18Å; V294-K298 PolarHBondContact N-O 2.67Å; V294-K298 PolarHBondContact O-N 3.49Å; K298-E300 IonicContact NZ-OE1 2.76Å; K298-E367 VanDerWaalsContact CE-CD 3.42Å; K298-E367 WeakPolarHBondContact CE-OE2 3.21Å; K298-E367 IonicContact NZ-OE1 3.96Å; K298-E367 PolarHBondContact NZ-OE1 2.77Å; K298-E367 IonicContact NZ-OE2 3.06Å; K298-E367 PolarHBondContact NZ-OE2 2.89Å; K298-I368 CarbonylContact C-O 3.56Å; K298-I368 WeakPolarHBondContact CA-O 3.5Å |
| 299 | L | 92.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.7 | 173.6 | -176.1 | 76.5 | 0 | 0 | 0 | 108.7 | V291 E293 V301 P325 I368 L370 W379 | V291-L299 HydrophobicContact CG1-CD1 3.56Å; V291-L299 HydrophobicContact CG1-CD2 4.34Å; V291-L299 HydrophobicContact CG1-CG 4.13Å; E293-L299 HydrophobicContact CB-CD1 4.38Å; E293-L299 HydrophobicContact CG-CD1 3.43Å; E293-L299 VanDerWaalsContact CG-CD1 3.43Å; L299-V301 HydrophobicContact CD2-CG2 4.03Å; L299-V301 HydrophobicContact CG-CG2 4.07Å; L299-P325 HydrophobicContact CD2-CG 3.92Å; L299-I368 HydrophobicContact CB-CB 4.19Å; L299-I368 HydrophobicContact CD2-CD1 4.13Å; L299-I368 PolarHBondContact N-O 2.8Å; L299-I368 PolarHBondContact O-N 3.05Å; L299-L370 HydrophobicContact CB-CD1 4.15Å; L299-W379 HydrophobicContact CD2-CE3 4.19Å; L299-W379 HydrophobicContact CD2-CH2 4.37Å; L299-W379 HydrophobicContact CD2-CZ3 3.64Å |
| 300 | E | 95.1 | Very high | 92.9 | Very high | 50 Ų | 50 | 64 Ų | 64 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.6 | 174.5 | -70 | 175.2 | -158.9 | 0 | 0 | 109.5 | V291 R292 V294 K298 | V291-E300 WeakPolarHBondContact CA-O 3.07Å; R292-E300 HydrophobicContact CB-CB 4.41Å; R292-E300 IonicContact CZ-OE1 2.68Å; R292-E300 IonicContact CZ-OE2 3.19Å; R292-E300 PolarHBondContact N-O 2.79Å; R292-E300 IonicContact NE-OE2 3.41Å; R292-E300 PolarHBondContact NE-OE2 2.91Å; R292-E300 VanDerWaalsContact NE-OE2 3.14Å; R292-E300 IonicContact NH2-OE1 2.65Å; R292-E300 PolarHBondContact NH2-OE1 3.17Å; R292-E300 IonicContact NH2-OE2 3.76Å; R292-E300 PolarHBondContact NH2-OE2 3.28Å; R292-E300 PolarHBondContact O-N 3.14Å; V294-E300 HydrophobicContact CG2-CG 4.22Å; K298-E300 IonicContact NZ-OE1 2.76Å |
| 301 | V | 94.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122 | -178.4 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | L290 V291 L299 V303 I322 S365 A366 I368 | L290-V301 WeakPolarHBondContact O-CA 3.46Å; V291-V301 HydrophobicContact CG1-CG2 4.35Å; V291-V301 HydrophobicContact CG2-CG1 4.31Å; V291-V301 HydrophobicContact CG2-CG2 4.33Å; L299-V301 HydrophobicContact CD2-CG2 4.03Å; L299-V301 HydrophobicContact CG-CG2 4.07Å; V301-V303 HydrophobicContact CG1-CG2 3.91Å; V301-I322 HydrophobicContact CG1-CG2 3.89Å; V301-S365 CarbonylContact O-C 3.54Å; V301-S365 WeakPolarHBondContact O-CA 3.41Å; V301-A366 PolarHBondContact N-O 2.95Å; V301-A366 PolarHBondContact O-N 2.76Å; V301-I368 HydrophobicContact CG2-CD1 3.8Å |
| 302 | K | 95.5 | Very high | 93.3 | Very high | 81 Ų | 81 | 66.4 Ų | 66.4 | 35% | 0.352 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.5 | 170.1 | -178.1 | 177.3 | -177.9 | 177.2 | 0 | 108.9 | L290 I364 | L290-K302 HydrophobicContact CB-CB 4.27Å; L290-K302 HydrophobicContact CD2-CB 4.48Å; L290-K302 PolarHBondContact N-O 3.02Å; L290-K302 PolarHBondContact O-N 3.16Å; K302-I364 WeakPolarHBondContact CA-O 3.33Å |
| 303 | V | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121.9 | 177.8 | -179.6 | 0 | 0 | 0 | 0 | 109 | V287 P289 V301 I305 I322 Q363 I364 I384 | V287-V303 HydrophobicContact CG1-CG1 3.74Å; P289-V303 HydrophobicContact CB-CG2 4.47Å; V301-V303 HydrophobicContact CG1-CG2 3.91Å; V303-I305 HydrophobicContact CG1-CG2 4.37Å; V303-I322 HydrophobicContact CB-CD1 3.94Å; V303-I322 HydrophobicContact CG1-CD1 4.38Å; V303-I322 HydrophobicContact CG2-CD1 3.55Å; V303-I322 HydrophobicContact CG2-CG1 3.99Å; V303-I322 HydrophobicContact CG2-CG2 4.48Å; V303-Q363 CarbonylContact O-C 3.6Å; V303-Q363 VanDerWaalsContact O-CA 3.28Å; V303-Q363 WeakPolarHBondContact O-CA 3.45Å; V303-I364 HydrophobicContact CB-CG1 4.09Å; V303-I364 PolarHBondContact N-O 3.02Å; V303-I364 PolarHBondContact O-N 2.86Å; V303-I384 HydrophobicContact CG2-CD1 3.85Å |
| 304 | V | 95.6 | Very high | 94 | Very high | 17 Ų | 17 | 61 Ų | 61 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.5 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | V287 I288 K306 E361 Q363 | V287-V304 CarbonylContact C-O 3.6Å; I288-V304 HydrophobicContact CB-CB 4.31Å; I288-V304 PolarHBondContact N-O 2.78Å; I288-V304 PolarHBondContact O-N 2.82Å; V304-K306 HydrophobicContact CG1-CG 4.18Å; V304-E361 HydrophobicContact CG1-CG 3.68Å; V304-E361 WeakPolarHBondContact CG1-OE1 3Å; V304-Q363 HydrophobicContact CG2-CB 4.01Å |
| 305 | I | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 131.5 | 170.6 | 64.1 | 175.4 | 0 | 0 | 0 | 109.7 | R286 V287 V303 V320 W351 I353 M356 E361 S362 M386 | R286-I305 WeakPolarHBondContact O-CA 3.25Å; V287-I305 HydrophobicContact CG1-CG2 4.29Å; V287-I305 HydrophobicContact CG2-CG2 4.12Å; V303-I305 HydrophobicContact CG1-CG2 4.37Å; I305-V320 HydrophobicContact CD1-CG2 4.3Å; I305-V320 HydrophobicContact CG2-CG2 4.11Å; I305-W351 HydrophobicContact CB-CZ3 4.44Å; I305-W351 HydrophobicContact CD1-CE3 4.39Å; I305-W351 HydrophobicContact CD1-CH2 3.63Å; I305-W351 HydrophobicContact CD1-CZ2 4.38Å; I305-W351 HydrophobicContact CD1-CZ3 3.63Å; I305-W351 HydrophobicContact CG1-CH2 3.66Å; I305-W351 HydrophobicContact CG1-CZ3 3.72Å; I305-W351 HydrophobicContact CG2-CZ3 3.95Å; I305-I353 HydrophobicContact CD1-CD1 3.55Å; I305-M356 HydrophobicContact CD1-CE 3.76Å; I305-M356 HydrophobicContact CD1-SD 4.32Å; I305-M356 HydrophobicContact CG1-CE 4.09Å; I305-E361 WeakPolarHBondContact O-CA 3.48Å; I305-S362 WeakPolarHBondContact CG1-O 3.48Å; I305-S362 PolarHBondContact N-O 2.8Å; I305-S362 PolarHBondContact O-N 2.86Å; I305-M386 HydrophobicContact CD1-CE 4.25Å |
| 306 | K | 96.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 60 Ų | 60 | 35% | 0.348 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.9 | 175.2 | -55.6 | -168.5 | -173.4 | -129.2 | 0 | 108.8 | F285 R286 I288 V304 K360 E361 | F285-K306 CarbonylContact C-O 3.51Å; F285-K306 VanDerWaalsContact CA-O 3.24Å; F285-K306 WeakPolarHBondContact CA-O 3.32Å; R286-K306 PolarHBondContact N-O 3.36Å; R286-K306 PolarHBondContact O-N 3.19Å; I288-K306 HydrophobicContact CD1-CD 4.27Å; V304-K306 HydrophobicContact CG1-CG 4.18Å; K306-K360 CarbonylContact C-O 3.5Å; K306-K360 WeakPolarHBondContact CA-O 3.31Å; K306-E361 VanDerWaalsContact CE-OE2 3.28Å; K306-E361 WeakPolarHBondContact CE-OE2 3.23Å; K306-E361 HydrophobicContact CG-CB 4.47Å; K306-E361 HydrophobicContact CG-CG 4.05Å; K306-E361 VanDerWaalsContact NZ-CD 3.35Å; K306-E361 IonicContact NZ-OE1 2.71Å; K306-E361 PolarHBondContact NZ-OE1 2.76Å; K306-E361 IonicContact NZ-OE2 3.67Å; K306-E361 PolarHBondContact NZ-OE2 2.87Å |
| 307 | S | 96.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 133 | 171.8 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | P284 F309 A357 M359 K360 | P284-S307 WeakPolarHBondContact O-CA 3.31Å; S307-F309 VanDerWaalsContact CB-CE1 3.49Å; S307-A357 PolarHBondContact OG-O 3.47Å; S307-M359 VanDerWaalsContact O-CA 3.24Å; S307-M359 WeakPolarHBondContact O-CA 3.37Å; S307-M359 PolarHBondContact O-N 2.8Å; S307-M359 VanDerWaalsContact O-N 3.1Å; S307-M359 PolarHBondContact OG-N 2.65Å; S307-K360 PolarHBondContact N-O 3.19Å; S307-K360 PolarHBondContact OG-N 3.32Å; S307-K360 PolarHBondContact OG-O 3.34Å; S307-K360 VanDerWaalsContact OG-O 3.12Å |
| 308 | N | 94.8 | Very high | 95.8 | Very high | 88 Ų | 88 | 52.5 Ų | 52.5 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | trans | -125.7 | 66.3 | -175.6 | -173.6 | 48 | 0 | 0 | 0 | 111 | P284 | P284-N308 PolarHBondContact O-N 2.54Š| ||
| 309 | F | 95.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -153.1 | 174.3 | 175.7 | 54.7 | -94.9 | 0 | 0 | 0 | 109.4 | P284 F285 S307 L313 A315 G358 M359 V390 F392 | P284-F309 HydrophobicContact CB-CD1 4.1Å; P284-F309 VanDerWaalsContact O-CD1 3.24Å; P284-F309 WeakPolarHBondContact O-CD1 3.28Å; F285-F309 HydrophobicContact CE1-CE1 4.22Å; F285-F309 HydrophobicContact CE2-CE1 4.29Å; F285-F309 AromaticContact CZ-CE1 3.94Å; F285-F309 HydrophobicContact CZ-CE1 3.94Å; F285-F309 HydrophobicContact CZ-CZ 4.45Å; S307-F309 VanDerWaalsContact CB-CE1 3.49Å; F309-L313 HydrophobicContact CD2-CB 3.92Å; F309-L313 HydrophobicContact CE2-CB 4.1Å; F309-L313 WeakPolarHBondContact CE2-O 3.47Å; F309-A315 HydrophobicContact CE1-CB 4.15Å; F309-A315 HydrophobicContact CZ-CB 3.63Å; F309-G358 VanDerWaalsContact CD2-CA 3.46Å; F309-G358 CarbonylContact O-C 3.49Å; F309-G358 VanDerWaalsContact O-CA 3.23Å; F309-G358 WeakPolarHBondContact O-CA 3.42Å; F309-M359 WeakPolarHBondContact O-CG 3.48Å; F309-M359 PolarHBondContact O-N 3.41Å; F309-V390 HydrophobicContact CE1-CG1 4.37Å; F309-F392 HydrophobicContact CB-CE1 3.77Å; F309-F392 HydrophobicContact CB-CZ 3.91Å; F309-F392 HydrophobicContact CD1-CE1 4.32Å; F309-F392 HydrophobicContact CD2-CE1 4.5Å; F309-F392 AromaticContact CG-CE1 3.97Å; F309-F392 HydrophobicContact CG-CE1 3.97Å; F309-F392 HydrophobicContact CG-CZ 4.46Å |
| 310 | K | 95.8 | Very high | 96.4 | Very high | 148 Ų | 148 | 52.2 Ų | 52.2 | 64% | 0.643 | 26% | 0.264 | S | S | * | . | trans | -51.9 | 131.1 | -175.4 | -69.1 | -175.4 | 178.4 | -177.3 | 0 | 112.1 | S312 L313 | K310-S312 PolarHBondContact O-N 3.42Å; K310-S312 VanDerWaalsContact O-N 3.14Å; K310-L313 HydrophobicContact CB-CD1 4.13Å; K310-L313 HydrophobicContact CB-CG 4.1Å; K310-L313 PolarHBondContact O-N 3.21Å | ||
| 311 | P | 96.3 | Very high | 96.5 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.7 | -178.9 | -26.9 | 34 | 0 | 0 | 0 | 115.2 | L313 M359 | P311-L313 VanDerWaalsContact C-N 3.28Å; P311-L313 PolarHBondContact O-N 2.89Å; P311-M359 HydrophobicContact CG-CB 4.12Å; P311-M359 HydrophobicContact CG-CG 3.83Å |
| 312 | S | 96.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 53.2 Ų | 53.2 | 72% | 0.72 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.5 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | K310 | K310-S312 PolarHBondContact O-N 3.42Å; K310-S312 VanDerWaalsContact O-N 3.14Å |
| 313 | L | 96.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 50 Ų | 50 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | trans | -86.9 | 148.9 | 178.2 | -57.2 | 178.7 | 0 | 0 | 0 | 110.2 | F309 K310 P311 A357 G358 P391 F392 | F309-L313 HydrophobicContact CD2-CB 3.92Å; F309-L313 HydrophobicContact CE2-CB 4.1Å; F309-L313 WeakPolarHBondContact CE2-O 3.47Å; K310-L313 HydrophobicContact CB-CD1 4.13Å; K310-L313 HydrophobicContact CB-CG 4.1Å; K310-L313 PolarHBondContact O-N 3.21Å; P311-L313 VanDerWaalsContact C-N 3.28Å; P311-L313 PolarHBondContact O-N 2.89Å; L313-A357 WeakPolarHBondContact O-CA 3.32Å; L313-G358 PolarHBondContact O-N 3.07Å; L313-P391 HydrophobicContact CB-CG 4.24Å; L313-P391 HydrophobicContact CD2-CG 4.23Å; L313-F392 HydrophobicContact CD1-CB 4.27Å; L313-F392 HydrophobicContact CD1-CD1 3.96Å; L313-F392 HydrophobicContact CD1-CG 4.4Å | ||
| 314 | L | 97.4 | Very high | 96.6 | Very high | 77 Ų | 77 | 50.3 Ų | 50.3 | 40% | 0.403 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.5 | 177.8 | -62 | 178.8 | 0 | 0 | 0 | 109.4 | A357 P391 | L314-A357 HydrophobicContact CD2-CB 3.7Å; L314-P391 WeakPolarHBondContact O-CD 3.41Å |
| 315 | A | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 146.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F285 F309 I318 R355 M356 E389 V390 | F285-A315 HydrophobicContact CE2-CB 4.08Å; F285-A315 HydrophobicContact CZ-CB 3.54Å; F309-A315 HydrophobicContact CE1-CB 4.15Å; F309-A315 HydrophobicContact CZ-CB 3.63Å; A315-I318 HydrophobicContact CB-CD1 3.92Å; A315-I318 HydrophobicContact CB-CG1 4.3Å; A315-R355 CarbonylContact O-C 3.57Å; A315-R355 WeakPolarHBondContact O-CA 3.3Å; A315-M356 PolarHBondContact N-O 3.33Å; A315-M356 PolarHBondContact O-N 2.81Å; A315-E389 CarbonylContact C-O 3.44Å; A315-E389 VanDerWaalsContact CA-O 3.29Å; A315-E389 WeakPolarHBondContact CA-O 3.48Å; A315-V390 HydrophobicContact CB-CG1 3.78Å |
| 316 | Q | 97.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 56.4 Ų | 56.4 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 169.6 | -178.3 | -57.7 | -172.5 | 12.3 | 0 | 0 | 111 | I318 E389 | Q316-I318 PolarHBondContact O-N 3.33Å; Q316-I318 VanDerWaalsContact O-N 3.17Å; Q316-E389 PolarHBondContact N-O 2.85Å; Q316-E389 PolarHBondContact O-N 2.7Å |
| 317 | K | 96.3 | Very high | 95.9 | Very high | 138 Ų | 138 | 54.3 Ų | 54.3 | 60% | 0.6 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.8 | 42.1 | 176.6 | -58.7 | 177.4 | -171.7 | 157.8 | 0 | 112.5 | E319 E389 | K317-E319 PolarHBondContact O-N 3.17Å; K317-E389 IonicContact NZ-OE2 3.55Å; K317-E389 PolarHBondContact NZ-OE2 3.26Å |
| 318 | I | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123 | -176.3 | -54.8 | 167.6 | 0 | 0 | 0 | 108.5 | F285 A315 Q316 K352 I353 M356 M386 N387 F388 | F285-I318 HydrophobicContact CE1-CD1 4.35Å; F285-I318 HydrophobicContact CZ-CD1 3.91Å; F285-I318 HydrophobicContact CZ-CG1 4.29Å; A315-I318 HydrophobicContact CB-CD1 3.92Å; A315-I318 HydrophobicContact CB-CG1 4.3Å; Q316-I318 PolarHBondContact O-N 3.33Å; Q316-I318 VanDerWaalsContact O-N 3.17Å; I318-K352 CarbonylContact O-C 3.44Å; I318-K352 WeakPolarHBondContact O-CA 3.34Å; I318-I353 HydrophobicContact CB-CB 4.13Å; I318-I353 WeakPolarHBondContact CB-O 3.33Å; I318-I353 HydrophobicContact CG2-CB 4.43Å; I318-I353 PolarHBondContact N-O 2.9Å; I318-I353 PolarHBondContact O-N 3.1Å; I318-M356 HydrophobicContact CD1-CB 3.36Å; I318-M386 HydrophobicContact CG2-CE 3.43Å; I318-M386 VanDerWaalsContact CG2-CE 3.43Å; I318-N387 CarbonylContact C-O 3.58Å; I318-N387 VanDerWaalsContact CA-O 3.28Å; I318-N387 WeakPolarHBondContact CA-O 3.47Å; I318-F388 HydrophobicContact CG1-CB 4.29Å |
| 319 | E | 98 | Very high | 95.6 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 112.4 | 178.9 | 177.4 | 164.6 | 178.4 | 0 | 0 | 109.6 | K317 V350 W351 K352 M386 N387 | K317-E319 PolarHBondContact O-N 3.17Å; E319-V350 HydrophobicContact CG-CG1 3.84Å; E319-V350 WeakPolarHBondContact OE1-CG1 3.43Å; E319-W351 CarbonylContact C-O 3.57Å; E319-W351 WeakPolarHBondContact CA-O 3.11Å; E319-K352 HydrophobicContact CB-CG 4.44Å; E319-K352 HydrophobicContact CG-CG 4.17Å; E319-K352 WeakPolarHBondContact OE1-CE 3.25Å; E319-K352 IonicContact OE1-NZ 3.4Å; E319-K352 PolarHBondContact OE1-NZ 2.66Å; E319-K352 WeakPolarHBondContact OE2-CE 3.29Å; E319-K352 IonicContact OE2-NZ 2.66Å; E319-K352 PolarHBondContact OE2-NZ 3.29Å; E319-M386 CarbonylContact O-C 3.54Å; E319-M386 WeakPolarHBondContact O-CA 3.46Å; E319-N387 HydrophobicContact CB-CB 4.31Å; E319-N387 PolarHBondContact N-O 2.84Å; E319-N387 PolarHBondContact O-N 2.84Å |
| 320 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.9 | 175.2 | -171.2 | 0 | 0 | 0 | 0 | 108 | I305 I322 W351 I384 S385 M386 | I305-V320 HydrophobicContact CD1-CG2 4.3Å; I305-V320 HydrophobicContact CG2-CG2 4.11Å; V320-I322 HydrophobicContact CG1-CD1 4.41Å; V320-I322 HydrophobicContact CG1-CG1 4.08Å; V320-W351 HydrophobicContact CB-CB 4.33Å; V320-W351 HydrophobicContact CB-CE3 4Å; V320-W351 HydrophobicContact CG2-CE3 3.82Å; V320-W351 HydrophobicContact CG2-CZ3 4.35Å; V320-W351 PolarHBondContact N-O 3.06Å; V320-W351 PolarHBondContact O-N 3.14Å; V320-I384 HydrophobicContact CG1-CG2 3.72Å; V320-S385 WeakPolarHBondContact CA-O 3.39Å; V320-M386 HydrophobicContact CG2-CE 4.38Å; V320-M386 HydrophobicContact CG2-CG 4.06Å; V320-M386 HydrophobicContact CG2-SD 4.43Å |
| 321 | R | 97.8 | Very high | 95.5 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.1 | 176.4 | 179.8 | -170.7 | -179.4 | 78.3 | 3.5 | 108.9 | E346 A348 I384 S385 | R321-E346 IonicContact CZ-OE2 2.65Å; R321-E346 IonicContact NH1-OE2 2.67Å; R321-E346 PolarHBondContact NH1-OE2 3.19Å; R321-E346 PolarHBondContact NH2-O 2.92Å; R321-A348 HydrophobicContact CG-CB 3.92Å; R321-I384 WeakPolarHBondContact O-CA 3.46Å; R321-I384 WeakPolarHBondContact O-CG2 3.46Å; R321-S385 PolarHBondContact N-O 2.82Å; R321-S385 PolarHBondContact O-N 2.88Å; R321-S385 VanDerWaalsContact O-N 3.1Å |
| 322 | I | 97.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 107.3 | -178.8 | -60.5 | 161.4 | 0 | 0 | 0 | 108.1 | V301 V303 V320 A348 I349 I364 I384 | V301-I322 HydrophobicContact CG1-CG2 3.89Å; V303-I322 HydrophobicContact CB-CD1 3.94Å; V303-I322 HydrophobicContact CG1-CD1 4.38Å; V303-I322 HydrophobicContact CG2-CD1 3.55Å; V303-I322 HydrophobicContact CG2-CG1 3.99Å; V303-I322 HydrophobicContact CG2-CG2 4.48Å; V320-I322 HydrophobicContact CG1-CD1 4.41Å; V320-I322 HydrophobicContact CG1-CG1 4.08Å; I322-A348 CarbonylContact O-C 3.57Å; I322-A348 VanDerWaalsContact O-CA 3.23Å; I322-A348 WeakPolarHBondContact O-CA 3.43Å; I322-I349 HydrophobicContact CB-CB 4.27Å; I322-I349 PolarHBondContact N-O 2.91Å; I322-I349 PolarHBondContact O-N 3.49Å; I322-I364 HydrophobicContact CD1-CD1 3.16Å; I322-I364 HydrophobicContact CD1-CG1 4.01Å; I322-I384 HydrophobicContact CB-CG1 4.42Å; I322-I384 HydrophobicContact CG1-CD1 4.44Å; I322-I384 HydrophobicContact CG1-CG1 4.2Å; I322-I384 HydrophobicContact CG1-CG2 4.1Å; I322-I384 HydrophobicContact CG2-CD1 4.35Å; I322-I384 HydrophobicContact CG2-CG1 4.25Å |
| 323 | P | 96.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 144.7 | 178.2 | -25.9 | 37.3 | 0 | 0 | 0 | 112 | W379 P382 P383 | P323-W379 HydrophobicContact CB-CZ2 4.23Å; P323-W379 WeakPolarHBondContact O-CH2 3.45Å; P323-P382 HydrophobicContact CB-CB 3.96Å; P323-P382 HydrophobicContact CB-CG 3.91Å; P323-P382 HydrophobicContact CG-CB 3.85Å; P323-P382 HydrophobicContact CG-CG 4.37Å; P323-P382 WeakPolarHBondContact CG-O 3.29Å; P323-P383 WeakPolarHBondContact CG-O 3.4Å |
| 324 | T | 94.5 | Very high | 95.4 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -118.6 | 155.8 | 172.1 | 67.3 | 0 | 0 | 0 | 0 | 109.6 | T328 Y342 N347 I349 I368 W379 | T324-T328 PolarHBondContact OG1-OG1 2.85Å; T324-Y342 HydrophobicContact CG2-CD2 4.31Å; T324-Y342 HydrophobicContact CG2-CE2 4.14Å; T324-Y342 WeakPolarHBondContact OG1-CE2 3.4Å; T324-N347 PolarHBondContact N-O 3.24Å; T324-N347 PolarHBondContact OG1-O 2.79Å; T324-I349 HydrophobicContact CG2-CD1 4.19Å; T324-I349 HydrophobicContact CG2-CG1 3.9Å; T324-I368 HydrophobicContact CG2-CD1 3.7Å; T324-I368 HydrophobicContact CG2-CG1 4.44Å; T324-W379 VanDerWaalsContact C-CZ2 3.5Å | ||
| 325 | P | 92.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | trans | -59.2 | 154.1 | 173.7 | -25.9 | 36.9 | 0 | 0 | 0 | 113.1 | L299 N327 T328 L370 W379 | L299-P325 HydrophobicContact CD2-CG 3.92Å; P325-N327 VanDerWaalsContact C-N 3.26Å; P325-N327 WeakPolarHBondContact CB-OD1 3.28Å; P325-N327 PolarHBondContact O-N 3.23Å; P325-T328 WeakPolarHBondContact O-CB 3.33Å; P325-T328 PolarHBondContact O-N 2.76Å; P325-T328 PolarHBondContact O-OG1 2.98Å; P325-L370 HydrophobicContact CB-CD2 3.77Å; P325-L370 HydrophobicContact CG-CD1 4.5Å; P325-L370 HydrophobicContact CG-CD2 3.67Å; P325-W379 HydrophobicContact CB-CD2 4.26Å; P325-W379 HydrophobicContact CB-CG 4.38Å; P325-W379 HydrophobicContact CG-CD2 3.71Å; P325-W379 HydrophobicContact CG-CE3 3.75Å; P325-W379 HydrophobicContact CG-CG 4.25Å; P325-W379 HydrophobicContact CG-CH2 4.21Å; P325-W379 HydrophobicContact CG-CZ2 4.13Å; P325-W379 HydrophobicContact CG-CZ3 4.02Å | ||
| 326 | L | 89.6 | Confident | 94.6 | Very high | 143 Ų | 143 | 56.2 Ų | 56.2 | 75% | 0.749 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -27.8 | 179.3 | -65.8 | 177 | 0 | 0 | 0 | 113 | T328 N347 | L326-T328 PolarHBondContact O-N 3.36Å; L326-N347 HydrophobicContact CD2-CB 4.3Å; L326-N347 WeakPolarHBondContact CD2-ND2 3.44Å |
| 327 | N | 90.8 | Very high | 94.3 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 19% | 0.193 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 24.3 | 177.8 | 64.5 | -33.5 | 0 | 0 | 0 | 112.9 | P325 S329 L370 L371 T373 | P325-N327 VanDerWaalsContact C-N 3.26Å; P325-N327 WeakPolarHBondContact CB-OD1 3.28Å; P325-N327 PolarHBondContact O-N 3.23Å; N327-S329 PolarHBondContact O-N 2.9Å; N327-L370 WeakPolarHBondContact O-CA 3.21Å; N327-L371 HydrophobicContact CB-CB 4.43Å; N327-L371 PolarHBondContact ND2-O 2.66Å; N327-L371 PolarHBondContact O-N 2.83Å; N327-T373 HydrophobicContact CB-CG2 3.94Å |
| 328 | T | 93.5 | Very high | 94.2 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 120.7 | 177.3 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | T324 P325 L326 V331 Y342 I368 E369 | T324-T328 PolarHBondContact OG1-OG1 2.85Å; P325-T328 WeakPolarHBondContact O-CB 3.33Å; P325-T328 PolarHBondContact O-N 2.76Å; P325-T328 PolarHBondContact O-OG1 2.98Å; L326-T328 PolarHBondContact O-N 3.36Å; T328-V331 HydrophobicContact CG2-CG2 3.53Å; T328-Y342 HydrophobicContact CG2-CE1 4.34Å; T328-Y342 HydrophobicContact CG2-CE2 4.29Å; T328-I368 HydrophobicContact CG2-CG2 3.68Å; T328-E369 CarbonylContact C-O 3.59Å; T328-E369 WeakPolarHBondContact CA-O 3.45Å |
| 329 | S | 92.5 | Very high | 94.1 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -35.3 | 173.5 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | N327 E369 | N327-S329 PolarHBondContact O-N 2.9Å; S329-E369 PolarHBondContact N-O 2.76Å; S329-E369 VanDerWaalsContact OG-CB 3.28Å; S329-E369 WeakPolarHBondContact OG-CB 3.31Å; S329-E369 PolarHBondContact OG-O 2.97Å |
| 330 | G | 93.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 57 Ų | 57 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 149.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I368 E369 | G330-I368 WeakPolarHBondContact O-CA 3.41Å; G330-E369 PolarHBondContact O-N 3.32Å |
| 331 | V | 96.8 | Very high | 94 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 22% | 0.218 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 120.7 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | T328 V333 Y342 I349 E367 I368 | T328-V331 HydrophobicContact CG2-CG2 3.53Å; V331-V333 HydrophobicContact CG1-CG2 3.67Å; V331-Y342 HydrophobicContact CB-CD1 4.34Å; V331-Y342 HydrophobicContact CB-CD2 4.47Å; V331-Y342 HydrophobicContact CB-CG 4.02Å; V331-Y342 HydrophobicContact CG2-CD1 3.84Å; V331-Y342 HydrophobicContact CG2-CD2 3.69Å; V331-Y342 HydrophobicContact CG2-CE1 4.15Å; V331-Y342 HydrophobicContact CG2-CE2 4.02Å; V331-Y342 HydrophobicContact CG2-CG 3.59Å; V331-I349 HydrophobicContact CG1-CD1 3.67Å; V331-I349 HydrophobicContact CG1-CG1 3.96Å; V331-E367 CarbonylContact C-O 3.54Å; V331-E367 WeakPolarHBondContact CA-O 3.43Å; V331-I368 HydrophobicContact CG1-CG1 4.2Å; V331-I368 HydrophobicContact CG2-CG1 4.31Å; V331-I368 HydrophobicContact CG2-CG2 4.4Å |
| 332 | Q | 96.3 | Very high | 94 | Very high | 114 Ų | 114 | 62.8 Ų | 62.8 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.1 | 169.6 | -58.5 | -173.4 | -1.3 | 0 | 0 | 108.8 | A366 E367 | Q332-A366 CarbonylContact O-C 3.54Å; Q332-A366 WeakPolarHBondContact O-CA 3.42Å; Q332-E367 HydrophobicContact CB-CB 4.38Å; Q332-E367 PolarHBondContact N-O 2.93Å; Q332-E367 PolarHBondContact O-N 2.76Å |
| 333 | V | 95.8 | Very high | 93.9 | Very high | 49 Ų | 49 | 65.6 Ų | 65.6 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.6 | -177 | -177 | 0 | 0 | 0 | 0 | 111.1 | V331 C335 A340 I349 A366 | V331-V333 HydrophobicContact CG1-CG2 3.67Å; V333-C335 HydrophobicContact CG1-CB 4.26Å; V333-A340 HydrophobicContact CG1-CB 3.6Å; V333-I349 HydrophobicContact CG2-CD1 4.21Å; V333-I349 HydrophobicContact CG2-CG2 4.26Å; V333-A366 HydrophobicContact CG2-CB 4.13Å |
| 334 | I | 95 | Very high | 93.7 | Very high | 113 Ų | 113 | 67.8 Ų | 67.8 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.4 | 170.7 | -55.8 | 175.1 | 0 | 0 | 0 | 107.9 | I364 S365 | I334-I364 WeakPolarHBondContact O-CA 3.18Å; I334-S365 PolarHBondContact N-O 3.1Å; I334-S365 PolarHBondContact O-N 2.8Å |
| 335 | C | 93.3 | Very high | 93.7 | Very high | 38 Ų | 38 | 73 Ų | 73 | 26% | 0.257 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 111.6 | -176.2 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | V333 K337 A340 W351 I364 | V333-C335 HydrophobicContact CG1-CB 4.26Å; C335-K337 PolarHBondContact SG-O 2.88Å; C335-A340 HydrophobicContact CB-CB 3.94Å; C335-W351 PolarHBondContact SG-NE1 2.61Å; C335-W351 VanDerWaalsContact SG-NE1 3.41Å; C335-I364 HydrophobicContact CB-CG2 4.02Å |
| 336 | M | 83.8 | Confident | 93.7 | Very high | 159 Ų | 159 | 76 Ų | 76 | 78% | 0.783 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -82.5 | -24.6 | -178.6 | -63.1 | -61 | -72 | 0 | 0 | 113.4 | ||
| 337 | K | 91.4 | Very high | 93.9 | Very high | 75 Ų | 75 | 71.6 Ų | 71.6 | 33% | 0.326 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -141.5 | 129.9 | -176.3 | -177.2 | -180 | -178.2 | 176.2 | 0 | 110.9 | C335 W351 I353 M356 S362 | C335-K337 PolarHBondContact SG-O 2.88Å; K337-W351 PolarHBondContact O-NE1 2.81Å; K337-I353 HydrophobicContact CG-CG2 4.39Å; K337-M356 HydrophobicContact CD-CE 4.41Å; K337-S362 WeakPolarHBondContact CB-OG 3.14Å |
| 338 | G | 94.1 | Very high | 94.2 | Very high | 48 Ų | 48 | 69.9 Ų | 69.9 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 82.4 | -162.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K352 | G338-K352 CarbonylContact C-O 3.57Å; G338-K352 VanDerWaalsContact CA-O 3.25Å; G338-K352 WeakPolarHBondContact CA-O 3.37Å |
| 339 | K | 96.7 | Very high | 94.4 | Very high | 158 Ų | 158 | 69 Ų | 69 | 69% | 0.687 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.7 | -178.2 | -175.4 | 175.2 | -176.7 | 172.9 | 0 | 109.2 | K352 | K339-K352 PolarHBondContact N-O 3.2Å; K339-K352 PolarHBondContact O-N 2.68Å |
| 340 | A | 97.2 | Very high | 94.6 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 20% | 0.198 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | V333 C335 I349 V350 W351 | V333-A340 HydrophobicContact CG1-CB 3.6Å; C335-A340 HydrophobicContact CB-CB 3.94Å; A340-I349 HydrophobicContact CB-CG2 4.39Å; A340-V350 WeakPolarHBondContact CA-O 3.32Å; A340-W351 HydrophobicContact CB-CB 4.22Å; A340-W351 HydrophobicContact CB-CG 4.36Å |
| 341 | K | 96.2 | Very high | 94.8 | Very high | 139 Ų | 139 | 65.2 Ų | 65.2 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 134.8 | 176.9 | -178.3 | 174.8 | 178.7 | -179.7 | 0 | 109.8 | V350 | K341-V350 PolarHBondContact N-O 2.85Å; K341-V350 PolarHBondContact O-N 2.82Å |
| 342 | Y | 97 | Very high | 94.9 | Very high | 57 Ų | 57 | 68.2 Ų | 68.2 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 131.9 | 167.4 | 175.3 | -121.9 | 0 | 0 | 0 | 110.7 | T324 T328 V331 A344 I349 | T324-Y342 HydrophobicContact CG2-CD2 4.31Å; T324-Y342 HydrophobicContact CG2-CE2 4.14Å; T324-Y342 WeakPolarHBondContact OG1-CE2 3.4Å; T328-Y342 HydrophobicContact CG2-CE1 4.34Å; T328-Y342 HydrophobicContact CG2-CE2 4.29Å; V331-Y342 HydrophobicContact CB-CD1 4.34Å; V331-Y342 HydrophobicContact CB-CD2 4.47Å; V331-Y342 HydrophobicContact CB-CG 4.02Å; V331-Y342 HydrophobicContact CG2-CD1 3.84Å; V331-Y342 HydrophobicContact CG2-CD2 3.69Å; V331-Y342 HydrophobicContact CG2-CE1 4.15Å; V331-Y342 HydrophobicContact CG2-CE2 4.02Å; V331-Y342 HydrophobicContact CG2-CG 3.59Å; Y342-A344 HydrophobicContact CE1-CB 3.88Å; Y342-I349 HydrophobicContact CD2-CG1 4.35Å |
| 343 | K | 95.8 | Very high | 95 | Very high | 63 Ų | 63 | 63 Ų | 63 | 27% | 0.274 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 102.1 | 175 | -68.8 | -170.2 | -179.8 | 178.3 | 0 | 109.6 | S345 E346 N347 A348 V350 | K343-S345 PolarHBondContact O-N 3.4Å; K343-E346 HydrophobicContact CB-CB 4.03Å; K343-E346 VanDerWaalsContact CD-CD 3.42Å; K343-E346 HydrophobicContact CD-CG 4.36Å; K343-E346 WeakPolarHBondContact CD-OE1 2.86Å; K343-E346 WeakPolarHBondContact CD-OE2 3.22Å; K343-E346 IonicContact NZ-OE1 2.63Å; K343-E346 PolarHBondContact NZ-OE1 2.82Å; K343-E346 IonicContact NZ-OE2 3.88Å; K343-E346 PolarHBondContact NZ-OE2 2.83Å; K343-E346 CarbonylContact O-C 3.59Å; K343-E346 PolarHBondContact O-N 2.84Å; K343-E346 VanDerWaalsContact O-N 3.14Å; K343-N347 PolarHBondContact O-N 3.02Å; K343-N347 VanDerWaalsContact O-N 3.07Å; K343-A348 PolarHBondContact N-O 3.05Å; K343-A348 PolarHBondContact O-N 3.37Å; K343-V350 HydrophobicContact CD-CB 4.48Å; K343-V350 HydrophobicContact CD-CG2 3.71Å; K343-V350 HydrophobicContact CG-CG2 4.12Å |
| 344 | A | 92.4 | Very high | 95 | Very high | 61 Ų | 61 | 69.1 Ų | 69.1 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -59.6 | -43.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y342 E346 N347 | Y342-A344 HydrophobicContact CE1-CB 3.88Å; A344-E346 PolarHBondContact O-N 3.44Å; A344-N347 PolarHBondContact O-N 3.42Å |
| 345 | S | 93.1 | Very high | 95.1 | Very high | 114 Ų | 114 | 71.2 Ų | 71.2 | 80% | 0.797 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -59.8 | -21.7 | 178.1 | 58.5 | 0 | 0 | 0 | 0 | 114 | K343 | K343-S345 PolarHBondContact O-N 3.4Š|
| 346 | E | 92.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 69.5 Ų | 69.5 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -107.6 | -5.4 | -177.6 | -74.5 | 179 | -141.6 | 0 | 0 | 112.2 | R321 K343 A344 A348 | R321-E346 IonicContact CZ-OE2 2.65Å; R321-E346 IonicContact NH1-OE2 2.67Å; R321-E346 PolarHBondContact NH1-OE2 3.19Å; R321-E346 PolarHBondContact NH2-O 2.92Å; K343-E346 HydrophobicContact CB-CB 4.03Å; K343-E346 VanDerWaalsContact CD-CD 3.42Å; K343-E346 HydrophobicContact CD-CG 4.36Å; K343-E346 WeakPolarHBondContact CD-OE1 2.86Å; K343-E346 WeakPolarHBondContact CD-OE2 3.22Å; K343-E346 IonicContact NZ-OE1 2.63Å; K343-E346 PolarHBondContact NZ-OE1 2.82Å; K343-E346 IonicContact NZ-OE2 3.88Å; K343-E346 PolarHBondContact NZ-OE2 2.83Å; K343-E346 CarbonylContact O-C 3.59Å; K343-E346 PolarHBondContact O-N 2.84Å; K343-E346 VanDerWaalsContact O-N 3.14Å; A344-E346 PolarHBondContact O-N 3.44Å; E346-A348 HydrophobicContact CB-CB 4.48Å; E346-A348 PolarHBondContact O-N 3.34Å |
| 347 | N | 94 | Very high | 95.9 | Very high | 49 Ų | 49 | 63 Ų | 63 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 50.3 | -171.1 | -61.7 | -73 | 0 | 0 | 0 | 112 | T324 L326 K343 A344 | T324-N347 PolarHBondContact N-O 3.24Å; T324-N347 PolarHBondContact OG1-O 2.79Å; L326-N347 HydrophobicContact CD2-CB 4.3Å; L326-N347 WeakPolarHBondContact CD2-ND2 3.44Å; K343-N347 PolarHBondContact O-N 3.02Å; K343-N347 VanDerWaalsContact O-N 3.07Å; A344-N347 PolarHBondContact O-N 3.42Å |
| 348 | A | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 147.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | R321 I322 K343 E346 | R321-A348 HydrophobicContact CG-CB 3.92Å; I322-A348 CarbonylContact O-C 3.57Å; I322-A348 VanDerWaalsContact O-CA 3.23Å; I322-A348 WeakPolarHBondContact O-CA 3.43Å; K343-A348 PolarHBondContact N-O 3.05Å; K343-A348 PolarHBondContact O-N 3.37Å; E346-A348 HydrophobicContact CB-CB 4.48Å; E346-A348 PolarHBondContact O-N 3.34Å |
| 349 | I | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 125 | 162.6 | -59.2 | 165.5 | 0 | 0 | 0 | 107.5 | I322 T324 V331 V333 A340 Y342 A366 I368 | I322-I349 HydrophobicContact CB-CB 4.27Å; I322-I349 PolarHBondContact N-O 2.91Å; I322-I349 PolarHBondContact O-N 3.49Å; T324-I349 HydrophobicContact CG2-CD1 4.19Å; T324-I349 HydrophobicContact CG2-CG1 3.9Å; V331-I349 HydrophobicContact CG1-CD1 3.67Å; V331-I349 HydrophobicContact CG1-CG1 3.96Å; V333-I349 HydrophobicContact CG2-CD1 4.21Å; V333-I349 HydrophobicContact CG2-CG2 4.26Å; A340-I349 HydrophobicContact CB-CG2 4.39Å; Y342-I349 HydrophobicContact CD2-CG1 4.35Å; I349-A366 HydrophobicContact CD1-CB 3.47Å; I349-A366 VanDerWaalsContact CD1-CB 3.47Å; I349-I368 HydrophobicContact CD1-CD1 4.27Å; I349-I368 HydrophobicContact CD1-CG1 4.43Å |
| 350 | V | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 112.8 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | E319 A340 K341 K343 K352 | E319-V350 HydrophobicContact CG-CG1 3.84Å; E319-V350 WeakPolarHBondContact OE1-CG1 3.43Å; A340-V350 WeakPolarHBondContact CA-O 3.32Å; K341-V350 PolarHBondContact N-O 2.85Å; K341-V350 PolarHBondContact O-N 2.82Å; K343-V350 HydrophobicContact CD-CB 4.48Å; K343-V350 HydrophobicContact CD-CG2 3.71Å; K343-V350 HydrophobicContact CG-CG2 4.12Å; V350-K352 HydrophobicContact CG1-CD 4.47Å; V350-K352 HydrophobicContact CG1-CG 4.02Å |
| 351 | W | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 112.1 | 180 | 177.4 | 35.9 | 0 | 0 | 0 | 111 | I305 E319 V320 C335 K337 A340 I353 S362 I364 | I305-W351 HydrophobicContact CB-CZ3 4.44Å; I305-W351 HydrophobicContact CD1-CE3 4.39Å; I305-W351 HydrophobicContact CD1-CH2 3.63Å; I305-W351 HydrophobicContact CD1-CZ2 4.38Å; I305-W351 HydrophobicContact CD1-CZ3 3.63Å; I305-W351 HydrophobicContact CG1-CH2 3.66Å; I305-W351 HydrophobicContact CG1-CZ3 3.72Å; I305-W351 HydrophobicContact CG2-CZ3 3.95Å; E319-W351 CarbonylContact C-O 3.57Å; E319-W351 WeakPolarHBondContact CA-O 3.11Å; V320-W351 HydrophobicContact CB-CB 4.33Å; V320-W351 HydrophobicContact CB-CE3 4Å; V320-W351 HydrophobicContact CG2-CE3 3.82Å; V320-W351 HydrophobicContact CG2-CZ3 4.35Å; V320-W351 PolarHBondContact N-O 3.06Å; V320-W351 PolarHBondContact O-N 3.14Å; C335-W351 PolarHBondContact SG-NE1 2.61Å; C335-W351 VanDerWaalsContact SG-NE1 3.41Å; K337-W351 PolarHBondContact O-NE1 2.81Å; A340-W351 HydrophobicContact CB-CB 4.22Å; A340-W351 HydrophobicContact CB-CG 4.36Å; W351-I353 HydrophobicContact CD2-CD1 4.35Å; W351-I353 HydrophobicContact CD2-CG1 4.44Å; W351-I353 HydrophobicContact CH2-CD1 3.92Å; W351-I353 HydrophobicContact CZ2-CD1 3.39Å; W351-I353 HydrophobicContact CZ2-CG1 4.04Å; W351-S362 VanDerWaalsContact CZ2-OG 3.31Å; W351-S362 WeakPolarHBondContact CZ2-OG 3.23Å; W351-I364 HydrophobicContact CB-CD1 3.84Å; W351-I364 HydrophobicContact CD2-CB 4.43Å; W351-I364 HydrophobicContact CD2-CD1 3.92Å; W351-I364 HydrophobicContact CD2-CG1 4.17Å; W351-I364 HydrophobicContact CD2-CG2 3.42Å; W351-I364 VanDerWaalsContact CD2-CG2 3.42Å; W351-I364 HydrophobicContact CE3-CB 4.44Å; W351-I364 HydrophobicContact CE3-CD1 3.77Å; W351-I364 HydrophobicContact CE3-CG1 3.79Å; W351-I364 HydrophobicContact CE3-CG2 3.79Å; W351-I364 HydrophobicContact CG-CD1 3.98Å; W351-I364 HydrophobicContact CG-CG2 3.88Å; W351-I364 HydrophobicContact CH2-CG2 3.84Å; W351-I364 HydrophobicContact CZ2-CG2 3.49Å; W351-I364 VanDerWaalsContact CZ2-CG2 3.49Å; W351-I364 HydrophobicContact CZ3-CG1 4.06Å; W351-I364 HydrophobicContact CZ3-CG2 3.98Å |
| 352 | K | 98.2 | Very high | 96.2 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129 | -177.1 | -57.9 | -167.6 | -174.3 | -129.3 | 0 | 111.4 | I318 E319 G338 K339 V350 | I318-K352 CarbonylContact O-C 3.44Å; I318-K352 WeakPolarHBondContact O-CA 3.34Å; E319-K352 HydrophobicContact CB-CG 4.44Å; E319-K352 HydrophobicContact CG-CG 4.17Å; E319-K352 WeakPolarHBondContact OE1-CE 3.25Å; E319-K352 IonicContact OE1-NZ 3.4Å; E319-K352 PolarHBondContact OE1-NZ 2.66Å; E319-K352 WeakPolarHBondContact OE2-CE 3.29Å; E319-K352 IonicContact OE2-NZ 2.66Å; E319-K352 PolarHBondContact OE2-NZ 3.29Å; G338-K352 CarbonylContact C-O 3.57Å; G338-K352 VanDerWaalsContact CA-O 3.25Å; G338-K352 WeakPolarHBondContact CA-O 3.37Å; K339-K352 PolarHBondContact N-O 3.2Å; K339-K352 PolarHBondContact O-N 2.68Å; V350-K352 HydrophobicContact CG1-CD 4.47Å; V350-K352 HydrophobicContact CG1-CG 4.02Å |
| 353 | I | 97.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.2 | 173.9 | -52 | 174.8 | 0 | 0 | 0 | 108.1 | I305 I318 K337 W351 R355 M356 | I305-I353 HydrophobicContact CD1-CD1 3.55Å; I318-I353 HydrophobicContact CB-CB 4.13Å; I318-I353 WeakPolarHBondContact CB-O 3.33Å; I318-I353 HydrophobicContact CG2-CB 4.43Å; I318-I353 PolarHBondContact N-O 2.9Å; I318-I353 PolarHBondContact O-N 3.1Å; K337-I353 HydrophobicContact CG-CG2 4.39Å; W351-I353 HydrophobicContact CD2-CD1 4.35Å; W351-I353 HydrophobicContact CD2-CG1 4.44Å; W351-I353 HydrophobicContact CH2-CD1 3.92Å; W351-I353 HydrophobicContact CZ2-CD1 3.39Å; W351-I353 HydrophobicContact CZ2-CG1 4.04Å; I353-R355 VanDerWaalsContact C-N 3.32Å; I353-R355 WeakPolarHBondContact CG2-O 3.18Å; I353-R355 PolarHBondContact O-N 3.36Å; I353-M356 HydrophobicContact CD1-CE 3.68Å |
| 354 | K | 95.9 | Very high | 96.3 | Very high | 177 Ų | 177 | 56.6 Ų | 56.6 | 77% | 0.77 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.6 | -44.6 | -177.1 | -175 | 175.4 | -178.9 | 176.2 | 0 | 112.1 | ||
| 355 | R | 96.3 | Very high | 96.5 | Very high | 158 Ų | 158 | 55.5 Ų | 55.5 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 147.8 | 179.6 | 56.1 | -177.6 | 161.3 | -166.5 | -3.5 | 112.9 | A315 I353 | A315-R355 CarbonylContact O-C 3.57Å; A315-R355 WeakPolarHBondContact O-CA 3.3Å; I353-R355 VanDerWaalsContact C-N 3.32Å; I353-R355 WeakPolarHBondContact CG2-O 3.18Å; I353-R355 PolarHBondContact O-N 3.36Å |
| 356 | M | 97 | Very high | 96.7 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 127.8 | 174 | -176.9 | 173.8 | -78.4 | 0 | 0 | 110.3 | F285 I305 A315 I318 K337 I353 K360 | F285-M356 HydrophobicContact CE1-SD 3.9Å; I305-M356 HydrophobicContact CD1-CE 3.76Å; I305-M356 HydrophobicContact CD1-SD 4.32Å; I305-M356 HydrophobicContact CG1-CE 4.09Å; A315-M356 PolarHBondContact N-O 3.33Å; A315-M356 PolarHBondContact O-N 2.81Å; I318-M356 HydrophobicContact CD1-CB 3.36Å; K337-M356 HydrophobicContact CD-CE 4.41Å; I353-M356 HydrophobicContact CD1-CE 3.68Å; M356-K360 HydrophobicContact CG-CB 4.23Å |
| 357 | A | 97.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 159.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S307 L313 L314 K360 | S307-A357 PolarHBondContact OG-O 3.47Å; L313-A357 WeakPolarHBondContact O-CA 3.32Å; L314-A357 HydrophobicContact CD2-CB 3.7Å; A357-K360 HydrophobicContact CB-CG 4.05Å |
| 358 | G | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 155.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F309 L313 K360 | F309-G358 VanDerWaalsContact CD2-CA 3.46Å; F309-G358 CarbonylContact O-C 3.49Å; F309-G358 VanDerWaalsContact O-CA 3.23Å; F309-G358 WeakPolarHBondContact O-CA 3.42Å; L313-G358 PolarHBondContact O-N 3.07Å; G358-K360 VanDerWaalsContact C-N 3.26Å; G358-K360 PolarHBondContact O-N 2.76Å |
| 359 | M | 97.1 | Very high | 96.9 | Very high | 119 Ų | 119 | 52.4 Ų | 52.4 | 59% | 0.586 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 39.2 | -178.8 | -52.6 | -58.9 | -75.5 | 0 | 0 | 113.4 | S307 F309 P311 | S307-M359 VanDerWaalsContact O-CA 3.24Å; S307-M359 WeakPolarHBondContact O-CA 3.37Å; S307-M359 PolarHBondContact O-N 2.8Å; S307-M359 VanDerWaalsContact O-N 3.1Å; S307-M359 PolarHBondContact OG-N 2.65Å; F309-M359 WeakPolarHBondContact O-CG 3.48Å; F309-M359 PolarHBondContact O-N 3.41Å; P311-M359 HydrophobicContact CG-CB 4.12Å; P311-M359 HydrophobicContact CG-CG 3.83Å |
| 360 | K | 96.5 | Very high | 96.6 | Very high | 117 Ų | 117 | 53.6 Ų | 53.6 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | trans | -120 | 156 | 175.5 | -64.7 | -59.6 | 179.2 | -173 | 0 | 110.5 | K306 S307 M356 A357 G358 | K306-K360 CarbonylContact C-O 3.5Å; K306-K360 WeakPolarHBondContact CA-O 3.31Å; S307-K360 PolarHBondContact N-O 3.19Å; S307-K360 PolarHBondContact OG-N 3.32Å; S307-K360 PolarHBondContact OG-O 3.34Å; S307-K360 VanDerWaalsContact OG-O 3.12Å; M356-K360 HydrophobicContact CG-CB 4.23Å; A357-K360 HydrophobicContact CB-CG 4.05Å; G358-K360 VanDerWaalsContact C-N 3.26Å; G358-K360 PolarHBondContact O-N 2.76Å | ||
| 361 | E | 96 | Very high | 96.2 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.1 | 176.8 | -175 | 164.1 | 166.1 | 0 | 0 | 109.9 | V304 I305 K306 | V304-E361 HydrophobicContact CG1-CG 3.68Å; V304-E361 WeakPolarHBondContact CG1-OE1 3Å; I305-E361 WeakPolarHBondContact O-CA 3.48Å; K306-E361 VanDerWaalsContact CE-OE2 3.28Å; K306-E361 WeakPolarHBondContact CE-OE2 3.23Å; K306-E361 HydrophobicContact CG-CB 4.47Å; K306-E361 HydrophobicContact CG-CG 4.05Å; K306-E361 VanDerWaalsContact NZ-CD 3.35Å; K306-E361 IonicContact NZ-OE1 2.71Å; K306-E361 PolarHBondContact NZ-OE1 2.76Å; K306-E361 IonicContact NZ-OE2 3.67Å; K306-E361 PolarHBondContact NZ-OE2 2.87Å |
| 362 | S | 96.7 | Very high | 95.4 | Very high | 10 Ų | 10 | 62.8 Ų | 62.8 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 149.3 | 169.7 | -163.8 | 0 | 0 | 0 | 0 | 109.4 | I305 K337 W351 | I305-S362 WeakPolarHBondContact CG1-O 3.48Å; I305-S362 PolarHBondContact N-O 2.8Å; I305-S362 PolarHBondContact O-N 2.86Å; K337-S362 WeakPolarHBondContact CB-OG 3.14Å; W351-S362 VanDerWaalsContact CZ2-OG 3.31Å; W351-S362 WeakPolarHBondContact CZ2-OG 3.23Å |
| 363 | Q | 96.1 | Very high | 94.3 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 152.6 | -177.8 | 66.5 | 178.3 | 1.1 | 0 | 0 | 111 | V303 V304 | V303-Q363 CarbonylContact O-C 3.6Å; V303-Q363 VanDerWaalsContact O-CA 3.28Å; V303-Q363 WeakPolarHBondContact O-CA 3.45Å; V304-Q363 HydrophobicContact CG2-CB 4.01Å |
| 364 | I | 97.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.8 | 164.3 | 59.7 | 167.4 | 0 | 0 | 0 | 109.6 | K302 V303 I322 I334 C335 W351 | K302-I364 WeakPolarHBondContact CA-O 3.33Å; V303-I364 HydrophobicContact CB-CG1 4.09Å; V303-I364 PolarHBondContact N-O 3.02Å; V303-I364 PolarHBondContact O-N 2.86Å; I322-I364 HydrophobicContact CD1-CD1 3.16Å; I322-I364 HydrophobicContact CD1-CG1 4.01Å; I334-I364 WeakPolarHBondContact O-CA 3.18Å; C335-I364 HydrophobicContact CB-CG2 4.02Å; W351-I364 HydrophobicContact CB-CD1 3.84Å; W351-I364 HydrophobicContact CD2-CB 4.43Å; W351-I364 HydrophobicContact CD2-CD1 3.92Å; W351-I364 HydrophobicContact CD2-CG1 4.17Å; W351-I364 HydrophobicContact CD2-CG2 3.42Å; W351-I364 VanDerWaalsContact CD2-CG2 3.42Å; W351-I364 HydrophobicContact CE3-CB 4.44Å; W351-I364 HydrophobicContact CE3-CD1 3.77Å; W351-I364 HydrophobicContact CE3-CG1 3.79Å; W351-I364 HydrophobicContact CE3-CG2 3.79Å; W351-I364 HydrophobicContact CG-CD1 3.98Å; W351-I364 HydrophobicContact CG-CG2 3.88Å; W351-I364 HydrophobicContact CH2-CG2 3.84Å; W351-I364 HydrophobicContact CZ2-CG2 3.49Å; W351-I364 VanDerWaalsContact CZ2-CG2 3.49Å; W351-I364 HydrophobicContact CZ3-CG1 4.06Å; W351-I364 HydrophobicContact CZ3-CG2 3.98Å |
| 365 | S | 97.3 | Very high | 91.5 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140.8 | 171.1 | -50.5 | 0 | 0 | 0 | 0 | 108.2 | V301 I334 | V301-S365 CarbonylContact O-C 3.54Å; V301-S365 WeakPolarHBondContact O-CA 3.41Å; I334-S365 PolarHBondContact N-O 3.1Å; I334-S365 PolarHBondContact O-N 2.8Å |
| 366 | A | 97.1 | Very high | 90 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 138.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V301 Q332 V333 I349 | V301-A366 PolarHBondContact N-O 2.95Å; V301-A366 PolarHBondContact O-N 2.76Å; Q332-A366 CarbonylContact O-C 3.54Å; Q332-A366 WeakPolarHBondContact O-CA 3.42Å; V333-A366 HydrophobicContact CG2-CB 4.13Å; I349-A366 HydrophobicContact CD1-CB 3.47Å; I349-A366 VanDerWaalsContact CD1-CB 3.47Å |
| 367 | E | 97 | Very high | 88.7 | Confident | 71 Ų | 71 | 78.8 Ų | 78.8 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124 | 167.8 | -54.9 | -163.7 | 155.5 | 0 | 0 | 107.9 | K298 V331 Q332 | K298-E367 VanDerWaalsContact CE-CD 3.42Å; K298-E367 WeakPolarHBondContact CE-OE2 3.21Å; K298-E367 IonicContact NZ-OE1 3.96Å; K298-E367 PolarHBondContact NZ-OE1 2.77Å; K298-E367 IonicContact NZ-OE2 3.06Å; K298-E367 PolarHBondContact NZ-OE2 2.89Å; V331-E367 CarbonylContact C-O 3.54Å; V331-E367 WeakPolarHBondContact CA-O 3.43Å; Q332-E367 HydrophobicContact CB-CB 4.38Å; Q332-E367 PolarHBondContact N-O 2.93Å; Q332-E367 PolarHBondContact O-N 2.76Å |
| 368 | I | 96.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.9 | -177 | -59.3 | 165.9 | 0 | 0 | 0 | 107.1 | K298 L299 V301 T324 T328 G330 V331 I349 L370 | K298-I368 CarbonylContact C-O 3.56Å; K298-I368 WeakPolarHBondContact CA-O 3.5Å; L299-I368 HydrophobicContact CB-CB 4.19Å; L299-I368 HydrophobicContact CD2-CD1 4.13Å; L299-I368 PolarHBondContact N-O 2.8Å; L299-I368 PolarHBondContact O-N 3.05Å; V301-I368 HydrophobicContact CG2-CD1 3.8Å; T324-I368 HydrophobicContact CG2-CD1 3.7Å; T324-I368 HydrophobicContact CG2-CG1 4.44Å; T328-I368 HydrophobicContact CG2-CG2 3.68Å; G330-I368 WeakPolarHBondContact O-CA 3.41Å; V331-I368 HydrophobicContact CG1-CG1 4.2Å; V331-I368 HydrophobicContact CG2-CG1 4.31Å; V331-I368 HydrophobicContact CG2-CG2 4.4Å; I349-I368 HydrophobicContact CD1-CD1 4.27Å; I349-I368 HydrophobicContact CD1-CG1 4.43Å; I368-L370 HydrophobicContact CG2-CD2 3.85Å |
| 369 | E | 94.6 | Very high | 86.9 | Confident | 89 Ų | 89 | 89.6 Ų | 89.6 | 42% | 0.416 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 136.3 | 173.3 | -65 | 174.1 | -170.5 | 0 | 0 | 109.4 | T328 S329 G330 | T328-E369 CarbonylContact C-O 3.59Å; T328-E369 WeakPolarHBondContact CA-O 3.45Å; S329-E369 PolarHBondContact N-O 2.76Å; S329-E369 VanDerWaalsContact OG-CB 3.28Å; S329-E369 WeakPolarHBondContact OG-CB 3.31Å; S329-E369 PolarHBondContact OG-O 2.97Å; G330-E369 PolarHBondContact O-N 3.32Å |
| 370 | L | 91.8 | Very high | 85.8 | Confident | 24 Ų | 24 | 88.1 Ų | 88.1 | 13% | 0.126 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.5 | -176.1 | -56 | 179.8 | 0 | 0 | 0 | 109.8 | T297 L299 P325 N327 I368 | T297-L370 PolarHBondContact O-N 3.45Å; L299-L370 HydrophobicContact CB-CD1 4.15Å; P325-L370 HydrophobicContact CB-CD2 3.77Å; P325-L370 HydrophobicContact CG-CD1 4.5Å; P325-L370 HydrophobicContact CG-CD2 3.67Å; N327-L370 WeakPolarHBondContact O-CA 3.21Å; I368-L370 HydrophobicContact CG2-CD2 3.85Å |
| 371 | L | 88.8 | Confident | 85.4 | Confident | 101 Ų | 101 | 86.4 Ų | 86.4 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | trans | -70.8 | 133 | 166.1 | -66.3 | 172 | 0 | 0 | 0 | 109.3 | N327 T373 | N327-L371 HydrophobicContact CB-CB 4.43Å; N327-L371 PolarHBondContact ND2-O 2.66Å; N327-L371 PolarHBondContact O-N 2.83Å; L371-T373 PolarHBondContact O-N 2.89Å | ||
| 372 | P | 81.1 | Confident | 85.2 | Confident | 98 Ų | 98 | 84.2 Ų | 84.2 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | trans | -54.2 | 127.7 | 173.2 | -21.8 | 30.4 | 0 | 0 | 0 | 110.5 | T297 | T297-P372 HydrophobicContact CG2-CG 4.08Š| ||
| 373 | T | 75.8 | Confident | 85.1 | Confident | 76 Ų | 76 | 85.6 Ų | 85.6 | 47% | 0.466 | 44% | 0.44 | S | S | . | . | trans | -113.4 | 143.2 | 173.2 | 44.4 | 0 | 0 | 0 | 0 | 109.2 | N327 L371 D375 | N327-T373 HydrophobicContact CB-CG2 3.94Å; L371-T373 PolarHBondContact O-N 2.89Å; T373-D375 PolarHBondContact O-N 2.88Å | ||
| 374 | N | 67.8 | Low | 85.1 | Confident | 173 Ų | 173 | 82 Ų | 82 | 93% | 0.925 | 42% | 0.423 | S | S | * | . | trans | -75.9 | -3.7 | 174.5 | -72.3 | -20.4 | 0 | 0 | 0 | 112.3 | K376 | N374-K376 PolarHBondContact O-N 3.36Š| ||
| 375 | D | 67.1 | Low | 85.1 | Confident | 122 Ų | 122 | 83 Ų | 83 | 65% | 0.652 | 43% | 0.43 | S | S | * | . | trans | -73.6 | 122.8 | -178.3 | -74.3 | -39.1 | 0 | 0 | 0 | 111.7 | T373 K377 | T373-D375 PolarHBondContact O-N 2.88Å; D375-K377 PolarHBondContact O-N 3.22Å | ||
| 376 | K | 65.6 | Low | 85.1 | Confident | 213 Ų | 213 | 81.3 Ų | 81.3 | 93% | 0.926 | 42% | 0.418 | S | S | * | . | trans | -74.5 | -5.1 | 171.2 | -64.8 | -177.2 | -179.3 | 178.8 | 0 | 113.1 | N374 K378 | N374-K376 PolarHBondContact O-N 3.36Å; K376-K378 PolarHBondContact O-N 3.3Å | ||
| 377 | K | 69.6 | Low | 85.2 | Confident | 191 Ų | 191 | 84.5 Ų | 84.5 | 83% | 0.83 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -79.2 | 117.4 | -177.5 | -75.4 | -176.3 | 180 | 177.6 | 0 | 109.7 | D375 | D375-K377 PolarHBondContact O-N 3.22Š|
| 378 | K | 72.9 | Confident | 85.2 | Confident | 186 Ų | 186 | 81.4 Ų | 81.4 | 81% | 0.809 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 138.9 | 171.7 | -69.3 | -174.4 | 175.9 | -177.3 | 0 | 109.8 | K376 A380 | K376-K378 PolarHBondContact O-N 3.3Å; K378-A380 PolarHBondContact O-N 3.44Å |
| 379 | W | 81.8 | Confident | 85.3 | Confident | 65 Ų | 65 | 84.3 Ų | 84.3 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 122.6 | 176.1 | 175.3 | 49.4 | 0 | 0 | 0 | 110 | L299 P323 T324 P325 R381 P382 | L299-W379 HydrophobicContact CD2-CE3 4.19Å; L299-W379 HydrophobicContact CD2-CH2 4.37Å; L299-W379 HydrophobicContact CD2-CZ3 3.64Å; P323-W379 HydrophobicContact CB-CZ2 4.23Å; P323-W379 WeakPolarHBondContact O-CH2 3.45Å; T324-W379 VanDerWaalsContact C-CZ2 3.5Å; P325-W379 HydrophobicContact CB-CD2 4.26Å; P325-W379 HydrophobicContact CB-CG 4.38Å; P325-W379 HydrophobicContact CG-CD2 3.71Å; P325-W379 HydrophobicContact CG-CE3 3.75Å; P325-W379 HydrophobicContact CG-CG 4.25Å; P325-W379 HydrophobicContact CG-CH2 4.21Å; P325-W379 HydrophobicContact CG-CZ2 4.13Å; P325-W379 HydrophobicContact CG-CZ3 4.02Å; W379-R381 HydrophobicContact CD2-CG 4.03Å; W379-R381 HydrophobicContact CE3-CB 4.36Å; W379-R381 HydrophobicContact CE3-CG 3.47Å; W379-R381 VanDerWaalsContact CE3-CG 3.47Å; W379-R381 HydrophobicContact CH2-CG 4.43Å; W379-R381 HydrophobicContact CZ3-CB 4.35Å; W379-R381 HydrophobicContact CZ3-CG 3.69Å; W379-R381 PolarHBondContact O-N 2.78Å; W379-P382 HydrophobicContact CZ2-CG 4.46Å |
| 380 | A | 75.5 | Confident | 85.5 | Confident | 87 Ų | 87 | 80.1 Ų | 80.1 | 72% | 0.719 | 41% | 0.414 | S | S | * | . | trans | -75.4 | 79.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | K378 P382 | K378-A380 PolarHBondContact O-N 3.44Å; A380-P382 WeakPolarHBondContact O-CD 3.28Å; A380-P382 WeakPolarHBondContact O-CG 3.4Å | ||
| 381 | R | 86.6 | Confident | 85.7 | Confident | 82 Ų | 82 | 82.2 Ų | 82.2 | 31% | 0.309 | 43% | 0.429 | S | S | . | . | trans | -44.9 | 101.7 | -177.5 | -65.4 | 176.9 | -173.9 | -178.7 | 2.1 | 111.2 | E293 W379 C433 | E293-R381 IonicContact OE1-CZ 2.9Å; E293-R381 IonicContact OE1-NE 3.33Å; E293-R381 IonicContact OE1-NH2 3.14Å; E293-R381 PolarHBondContact OE1-NH2 2.8Å; W379-R381 HydrophobicContact CD2-CG 4.03Å; W379-R381 HydrophobicContact CE3-CB 4.36Å; W379-R381 HydrophobicContact CE3-CG 3.47Å; W379-R381 VanDerWaalsContact CE3-CG 3.47Å; W379-R381 HydrophobicContact CH2-CG 4.43Å; W379-R381 HydrophobicContact CZ3-CB 4.35Å; W379-R381 HydrophobicContact CZ3-CG 3.69Å; W379-R381 PolarHBondContact O-N 2.78Å; R381-C433 WeakPolarHBondContact CB-O 3.41Å; R381-C433 VanDerWaalsContact CD-O 3.23Å; R381-C433 WeakPolarHBondContact CD-O 3.42Å; R381-C433 VanDerWaalsContact CD-OXT 3.31Å; R381-C433 WeakPolarHBondContact CD-OXT 3.24Å; R381-C433 PolarHBondContact NH1-OXT 3.41Å | ||
| 382 | P | 91.6 | Very high | 86.1 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 148.2 | 178.4 | -13.6 | 29.1 | 0 | 0 | 0 | 108.8 | P323 W379 A380 C433 | P323-P382 HydrophobicContact CB-CB 3.96Å; P323-P382 HydrophobicContact CB-CG 3.91Å; P323-P382 HydrophobicContact CG-CB 3.85Å; P323-P382 HydrophobicContact CG-CG 4.37Å; P323-P382 WeakPolarHBondContact CG-O 3.29Å; W379-P382 HydrophobicContact CZ2-CG 4.46Å; A380-P382 WeakPolarHBondContact O-CD 3.28Å; A380-P382 WeakPolarHBondContact O-CG 3.4Å; P382-C433 PolarHBondContact O-SG 3.48Å; P382-C433 VanDerWaalsContact O-SG 3.33Å |
| 383 | P | 95.3 | Very high | 86.8 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 26% | 0.26 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 147.3 | -177.5 | 26.9 | -34.1 | 0 | 0 | 0 | 111.7 | P323 E430 T431 | P323-P383 WeakPolarHBondContact CG-O 3.4Å; P383-E430 HydrophobicContact CB-CB 4.01Å; P383-E430 HydrophobicContact CB-CG 4.44Å; P383-E430 HydrophobicContact CG-CB 4.32Å; P383-E430 HydrophobicContact CG-CG 4.35Å; P383-E430 WeakPolarHBondContact CG-OE2 3.28Å; P383-T431 CarbonylContact C-O 3.56Å; P383-T431 VanDerWaalsContact CA-O 3.32Å; P383-T431 WeakPolarHBondContact CA-O 3.31Å; P383-T431 WeakPolarHBondContact CB-O 3.43Å |
| 384 | I | 96.9 | Very high | 87.7 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.6 | 169.3 | -70 | 159.7 | 0 | 0 | 0 | 107.8 | V287 P289 V303 V320 R321 I322 E430 T431 C433 | V287-I384 HydrophobicContact CG1-CG2 4Å; P289-I384 HydrophobicContact CB-CD1 3.36Å; P289-I384 HydrophobicContact CG-CD1 4.17Å; V303-I384 HydrophobicContact CG2-CD1 3.85Å; V320-I384 HydrophobicContact CG1-CG2 3.72Å; R321-I384 WeakPolarHBondContact O-CA 3.46Å; R321-I384 WeakPolarHBondContact O-CG2 3.46Å; I322-I384 HydrophobicContact CB-CG1 4.42Å; I322-I384 HydrophobicContact CG1-CD1 4.44Å; I322-I384 HydrophobicContact CG1-CG1 4.2Å; I322-I384 HydrophobicContact CG1-CG2 4.1Å; I322-I384 HydrophobicContact CG2-CD1 4.35Å; I322-I384 HydrophobicContact CG2-CG1 4.25Å; I384-E430 CarbonylContact O-C 3.52Å; I384-E430 WeakPolarHBondContact O-CA 3.24Å; I384-T431 PolarHBondContact N-O 3.06Å; I384-T431 PolarHBondContact O-N 2.85Å; I384-C433 HydrophobicContact CD1-CB 4.23Å |
| 385 | S | 97.4 | Very high | 89 | Confident | 24 Ų | 24 | 63 Ų | 63 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 148.9 | 178 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | V320 R321 Y429 | V320-S385 WeakPolarHBondContact CA-O 3.39Å; R321-S385 PolarHBondContact N-O 2.82Å; R321-S385 PolarHBondContact O-N 2.88Å; R321-S385 VanDerWaalsContact O-N 3.1Å; S385-Y429 WeakPolarHBondContact CA-O 3.41Å |
| 386 | M | 97.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 124.8 | -179.5 | -173.1 | 178.1 | -176.2 | 0 | 0 | 110.7 | F285 V287 I305 I318 E319 V320 F388 S426 Y429 | F285-M386 HydrophobicContact CB-CE 4Å; F285-M386 HydrophobicContact CB-SD 3.73Å; F285-M386 HydrophobicContact CD1-CE 3.47Å; F285-M386 VanDerWaalsContact CD1-CE 3.47Å; F285-M386 HydrophobicContact CD1-SD 4.34Å; F285-M386 HydrophobicContact CD2-CE 3.64Å; F285-M386 HydrophobicContact CD2-SD 4.15Å; F285-M386 HydrophobicContact CE1-CE 3.72Å; F285-M386 HydrophobicContact CE2-CE 3.91Å; F285-M386 HydrophobicContact CG-CE 3.41Å; F285-M386 VanDerWaalsContact CG-CE 3.41Å; F285-M386 HydrophobicContact CG-SD 3.82Å; F285-M386 HydrophobicContact CZ-CE 3.93Å; V287-M386 HydrophobicContact CG2-CB 4.37Å; V287-M386 HydrophobicContact CG2-SD 3.75Å; I305-M386 HydrophobicContact CD1-CE 4.25Å; I318-M386 HydrophobicContact CG2-CE 3.43Å; I318-M386 VanDerWaalsContact CG2-CE 3.43Å; E319-M386 CarbonylContact O-C 3.54Å; E319-M386 WeakPolarHBondContact O-CA 3.46Å; V320-M386 HydrophobicContact CG2-CE 4.38Å; V320-M386 HydrophobicContact CG2-CG 4.06Å; V320-M386 HydrophobicContact CG2-SD 4.43Å; M386-F388 HydrophobicContact CE-CD1 4.43Å; M386-F388 HydrophobicContact CG-CD1 4.07Å; M386-F388 HydrophobicContact SD-CD1 4.32Å; M386-S426 VanDerWaalsContact O-CB 3.28Å; M386-S426 WeakPolarHBondContact O-CB 3.38Å; M386-Y429 HydrophobicContact CB-CD1 3.94Å; M386-Y429 PolarHBondContact N-O 2.8Å; M386-Y429 WeakPolarHBondContact O-CB 3.25Å |
| 387 | N | 98.2 | Very high | 91.6 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 40% | 0.401 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.9 | 169.9 | -67.4 | -60.8 | 0 | 0 | 0 | 110.8 | I318 E319 S426 | I318-N387 CarbonylContact C-O 3.58Å; I318-N387 VanDerWaalsContact CA-O 3.28Å; I318-N387 WeakPolarHBondContact CA-O 3.47Å; E319-N387 HydrophobicContact CB-CB 4.31Å; E319-N387 PolarHBondContact N-O 2.84Å; E319-N387 PolarHBondContact O-N 2.84Å; N387-S426 WeakPolarHBondContact CA-OG 3.15Å; N387-S426 PolarHBondContact OD1-OG 3.18Å |
| 388 | F | 98 | Very high | 92.6 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 165.7 | 177.6 | 59.6 | -98.7 | 0 | 0 | 0 | 112.3 | P284 F285 I318 M386 V390 R425 S426 Y429 | P284-F388 HydrophobicContact CB-CE2 4.07Å; P284-F388 HydrophobicContact CB-CZ 4.27Å; P284-F388 HydrophobicContact CG-CE2 3.8Å; P284-F388 HydrophobicContact CG-CZ 3.95Å; F285-F388 HydrophobicContact CD2-CB 4.34Å; F285-F388 AromaticContact CD2-CD1 3.57Å; F285-F388 HydrophobicContact CD2-CD1 3.57Å; F285-F388 HydrophobicContact CD2-CD2 4.16Å; F285-F388 AromaticContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE2 4.37Å; F285-F388 AromaticContact CD2-CG 3.76Å; F285-F388 HydrophobicContact CD2-CG 3.76Å; F285-F388 HydrophobicContact CD2-CZ 4.2Å; F285-F388 HydrophobicContact CE2-CB 3.73Å; F285-F388 AromaticContact CE2-CD1 3.85Å; F285-F388 HydrophobicContact CE2-CD1 3.85Å; F285-F388 AromaticContact CE2-CD2 3.89Å; F285-F388 HydrophobicContact CE2-CD2 3.89Å; F285-F388 HydrophobicContact CE2-CE1 4.44Å; F285-F388 HydrophobicContact CE2-CE2 4.47Å; F285-F388 AromaticContact CE2-CG 3.54Å; F285-F388 HydrophobicContact CE2-CG 3.54Å; I318-F388 HydrophobicContact CG1-CB 4.29Å; M386-F388 HydrophobicContact CE-CD1 4.43Å; M386-F388 HydrophobicContact CG-CD1 4.07Å; M386-F388 HydrophobicContact SD-CD1 4.32Å; F388-V390 HydrophobicContact CD2-CG1 3.95Å; F388-V390 HydrophobicContact CE2-CG1 4.35Å; F388-V390 HydrophobicContact CE2-CG2 4.46Å; F388-R425 WeakPolarHBondContact O-CA 3.1Å; F388-S426 PolarHBondContact N-OG 2.81Å; F388-S426 VanDerWaalsContact N-OG 3.1Å; F388-S426 PolarHBondContact O-N 2.94Å; F388-Y429 HydrophobicContact CE1-CD1 4.14Å; F388-Y429 AromaticContact CE1-CD2 3.75Å; F388-Y429 HydrophobicContact CE1-CD2 3.75Å; F388-Y429 HydrophobicContact CE1-CE1 4.27Å; F388-Y429 AromaticContact CE1-CE2 3.92Å; F388-Y429 HydrophobicContact CE1-CE2 3.92Å; F388-Y429 AromaticContact CE1-CG 3.86Å; F388-Y429 HydrophobicContact CE1-CG 3.86Å; F388-Y429 AromaticContact CZ-CD2 3.95Å; F388-Y429 HydrophobicContact CZ-CD2 3.95Å; F388-Y429 AromaticContact CZ-CE2 3.98Å; F388-Y429 HydrophobicContact CZ-CE2 3.98Å |
| 389 | E | 98.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 36 Ų | 36 | 29% | 0.285 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.1 | 168.6 | -166.6 | 179.5 | 122.1 | 0 | 0 | 109.4 | A315 Q316 K317 I423 G424 | A315-E389 CarbonylContact C-O 3.44Å; A315-E389 VanDerWaalsContact CA-O 3.29Å; A315-E389 WeakPolarHBondContact CA-O 3.48Å; Q316-E389 PolarHBondContact N-O 2.85Å; Q316-E389 PolarHBondContact O-N 2.7Å; K317-E389 IonicContact NZ-OE2 3.55Å; K317-E389 PolarHBondContact NZ-OE2 3.26Å; E389-I423 HydrophobicContact CG-CG2 3.8Å; E389-G424 CarbonylContact C-O 3.57Å; E389-G424 WeakPolarHBondContact CA-O 3.4Å |
| 390 | V | 97.8 | Very high | 94 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.7 | 179.1 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | P284 F285 F309 A315 F388 F392 P394 G424 | P284-V390 HydrophobicContact CB-CG1 4.09Å; P284-V390 HydrophobicContact CG-CG2 4.25Å; F285-V390 HydrophobicContact CE2-CG1 4.27Å; F309-V390 HydrophobicContact CE1-CG1 4.37Å; A315-V390 HydrophobicContact CB-CG1 3.78Å; F388-V390 HydrophobicContact CD2-CG1 3.95Å; F388-V390 HydrophobicContact CE2-CG1 4.35Å; F388-V390 HydrophobicContact CE2-CG2 4.46Å; V390-F392 HydrophobicContact CB-CD1 3.68Å; V390-F392 HydrophobicContact CB-CE1 3.49Å; V390-F392 VanDerWaalsContact CB-CE1 3.49Å; V390-F392 HydrophobicContact CB-CZ 4.44Å; V390-F392 HydrophobicContact CG1-CE1 4.05Å; V390-F392 HydrophobicContact CG2-CD1 3.65Å; V390-F392 HydrophobicContact CG2-CE1 3.39Å; V390-F392 HydrophobicContact CG2-CG 4.38Å; V390-F392 HydrophobicContact CG2-CZ 3.93Å; V390-F392 PolarHBondContact O-N 2.84Å; V390-P394 HydrophobicContact CG2-CG 4.5Å; V390-G424 PolarHBondContact N-O 3.41Å; V390-G424 PolarHBondContact O-N 3.01Å |
| 391 | P | 96.7 | Very high | 94.7 | Very high | 67 Ų | 67 | 38.3 Ų | 38.3 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -85.4 | 48.8 | -174.3 | 36.3 | -38.1 | 0 | 0 | 0 | 112.3 | L313 L314 Y422 | L313-P391 HydrophobicContact CB-CG 4.24Å; L313-P391 HydrophobicContact CD2-CG 4.23Å; L314-P391 WeakPolarHBondContact O-CD 3.41Å; P391-Y422 CarbonylContact C-O 3.55Å |
| 392 | F | 96.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 13% | 0.132 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -153.6 | 169.9 | 174.3 | 71.1 | -85.8 | 0 | 0 | 0 | 110.3 | I282 P284 F309 L313 V390 P394 Y422 G424 | I282-F392 HydrophobicContact CB-CE2 4.26Å; I282-F392 HydrophobicContact CG2-CE2 4.03Å; I282-F392 HydrophobicContact CG2-CZ 4.3Å; P284-F392 HydrophobicContact CB-CE1 4.47Å; P284-F392 HydrophobicContact CB-CZ 4.07Å; P284-F392 HydrophobicContact CG-CZ 3.91Å; F309-F392 HydrophobicContact CB-CE1 3.77Å; F309-F392 HydrophobicContact CB-CZ 3.91Å; F309-F392 HydrophobicContact CD1-CE1 4.32Å; F309-F392 HydrophobicContact CD2-CE1 4.5Å; F309-F392 AromaticContact CG-CE1 3.97Å; F309-F392 HydrophobicContact CG-CE1 3.97Å; F309-F392 HydrophobicContact CG-CZ 4.46Å; L313-F392 HydrophobicContact CD1-CB 4.27Å; L313-F392 HydrophobicContact CD1-CD1 3.96Å; L313-F392 HydrophobicContact CD1-CG 4.4Å; V390-F392 HydrophobicContact CB-CD1 3.68Å; V390-F392 HydrophobicContact CB-CE1 3.49Å; V390-F392 VanDerWaalsContact CB-CE1 3.49Å; V390-F392 HydrophobicContact CB-CZ 4.44Å; V390-F392 HydrophobicContact CG1-CE1 4.05Å; V390-F392 HydrophobicContact CG2-CD1 3.65Å; V390-F392 HydrophobicContact CG2-CE1 3.39Å; V390-F392 HydrophobicContact CG2-CG 4.38Å; V390-F392 HydrophobicContact CG2-CZ 3.93Å; V390-F392 PolarHBondContact O-N 2.84Å; F392-P394 HydrophobicContact CE2-CG 4.31Å; F392-P394 WeakPolarHBondContact O-CD 3.47Å; F392-Y422 PolarHBondContact N-O 2.76Å; F392-G424 WeakPolarHBondContact O-CA 3.37Å; F392-G424 PolarHBondContact O-N 2.91Å |
| 393 | A | 96.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | trans | -92 | 107 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V175 E177 S395 G396 Y422 | V175-A393 HydrophobicContact CG1-CB 4.38Å; E177-A393 HydrophobicContact CG-CB 4.47Å; E177-A393 WeakPolarHBondContact OE2-CA 3.45Å; E177-A393 WeakPolarHBondContact OE2-CB 3.15Å; A393-S395 PolarHBondContact O-N 3.48Å; A393-S395 VanDerWaalsContact O-N 3.15Å; A393-G396 PolarHBondContact O-N 2.83Å; A393-Y422 HydrophobicContact CB-CD1 3.89Å | ||
| 394 | P | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -31.5 | 171.4 | -32.8 | 35.9 | 0 | 0 | 0 | 116.3 | E177 V179 V194 I281 I282 P284 V390 F392 G396 | E177-P394 WeakPolarHBondContact OE2-CD 3.19Å; V179-P394 HydrophobicContact CG2-CB 3.43Å; V179-P394 VanDerWaalsContact CG2-CB 3.43Å; V179-P394 HydrophobicContact CG2-CG 3.28Å; V194-P394 HydrophobicContact CG2-CB 3.99Å; I281-P394 HydrophobicContact CG2-CB 4.48Å; I282-P394 PolarHBondContact N-O 2.49Å; P284-P394 HydrophobicContact CG-CG 4.35Å; V390-P394 HydrophobicContact CG2-CG 4.5Å; F392-P394 HydrophobicContact CE2-CG 4.31Å; F392-P394 WeakPolarHBondContact O-CD 3.47Å; P394-G396 VanDerWaalsContact C-N 3.25Å; P394-G396 PolarHBondContact O-N 2.82Å |
| 395 | S | 94.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -14.4 | 177.1 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | E177 I239 A393 L397 | E177-S395 VanDerWaalsContact CD-OG 3.27Å; E177-S395 VanDerWaalsContact OE1-CB 3.28Å; E177-S395 WeakPolarHBondContact OE1-CB 3.39Å; E177-S395 PolarHBondContact OE1-OG 2.86Å; E177-S395 PolarHBondContact OE2-N 2.85Å; E177-S395 PolarHBondContact OE2-OG 2.78Å; I239-S395 WeakPolarHBondContact CD1-OG 3.37Å; A393-S395 PolarHBondContact O-N 3.48Å; A393-S395 VanDerWaalsContact O-N 3.15Å; S395-L397 VanDerWaalsContact C-N 3.29Å; S395-L397 WeakPolarHBondContact OG-CB 3.5Å; S395-L397 PolarHBondContact OG-N 2.98Å |
| 396 | G | 92.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 13% | 0.134 | 19% | 0.191 | C | C | . | . | trans | 77.5 | 8.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N215 A393 P394 K398 | N215-G396 PolarHBondContact ND2-O 3.17Å; A393-G396 PolarHBondContact O-N 2.83Å; P394-G396 VanDerWaalsContact C-N 3.25Å; P394-G396 PolarHBondContact O-N 2.82Å; G396-K398 PolarHBondContact O-N 3.24Å | ||
| 397 | L | 93.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -56.5 | 131.6 | 173.5 | -170.3 | 143.2 | 0 | 0 | 0 | 110.6 | V175 M214 I239 Y275 S395 Y422 | V175-L397 HydrophobicContact CG1-CD2 3.86Å; V175-L397 HydrophobicContact CG2-CD2 4.03Å; M214-L397 HydrophobicContact SD-CD1 3.99Å; I239-L397 HydrophobicContact CD1-CB 3.84Å; I239-L397 HydrophobicContact CD1-CD1 4.15Å; I239-L397 HydrophobicContact CD1-CG 4.45Å; Y275-L397 HydrophobicContact CD1-CD1 4.43Å; Y275-L397 HydrophobicContact CD2-CD1 4.39Å; Y275-L397 HydrophobicContact CE1-CD1 3.89Å; Y275-L397 HydrophobicContact CE2-CD1 3.84Å; S395-L397 VanDerWaalsContact C-N 3.29Å; S395-L397 WeakPolarHBondContact OG-CB 3.5Å; S395-L397 PolarHBondContact OG-N 2.98Å; L397-Y422 HydrophobicContact CD2-CE1 4.43Å; L397-Y422 VanDerWaalsContact O-CE1 3.3Å; L397-Y422 WeakPolarHBondContact O-CE1 3.39Å | ||
| 398 | K | 92.6 | Very high | 94.4 | Very high | 99 Ų | 99 | 47.3 Ų | 47.3 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | trans | -133 | 132.3 | 173.4 | -66.3 | 177.5 | -169.2 | 166.1 | 0 | 109.4 | M214 N215 G396 R400 | M214-K398 WeakPolarHBondContact CA-O 3.33Å; N215-K398 PolarHBondContact N-O 2.86Å; N215-K398 PolarHBondContact OD1-N 2.9Å; N215-K398 PolarHBondContact OD1-O 3.37Å; G396-K398 PolarHBondContact O-N 3.24Å; K398-R400 PolarHBondContact O-N 2.92Å | ||
| 399 | V | 92.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 114.9 | 167.5 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | L173 V175 F212 V420 Y422 | L173-V399 HydrophobicContact CD1-CG1 4.27Å; L173-V399 HydrophobicContact CD1-CG2 4.4Å; V175-V399 HydrophobicContact CG2-CG2 4.16Å; F212-V399 HydrophobicContact CD2-CG1 4.15Å; F212-V399 HydrophobicContact CE2-CB 4.18Å; F212-V399 HydrophobicContact CE2-CG1 3.64Å; F212-V399 HydrophobicContact CE2-CG2 3.63Å; F212-V399 HydrophobicContact CZ-CG2 4.01Å; V399-V420 HydrophobicContact CB-CG2 4.45Å; V399-V420 HydrophobicContact CG2-CG2 3.85Å; V399-Y422 PolarHBondContact N-OH 2.99Å |
| 400 | R | 90.6 | Very high | 93.7 | Very high | 119 Ų | 119 | 55.1 Ų | 55.1 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -42.2 | 176.6 | -73 | -176.2 | 66.6 | -171.7 | -0.5 | 111.1 | G213 M214 N215 K398 | G213-R400 PolarHBondContact O-N 3.15Å; M214-R400 WeakPolarHBondContact O-CD 3.39Å; N215-R400 HydrophobicContact CB-CG 4.28Å; K398-R400 PolarHBondContact O-N 2.92Å |
| 401 | Y | 91.3 | Very high | 93.5 | Very high | 83 Ų | 83 | 56 Ų | 56 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 153.8 | 177.3 | 60.3 | -98.7 | 0 | 0 | 0 | 110.9 | K211 G213 K403 | K211-Y401 HydrophobicContact CB-CE2 4.46Å; G213-Y401 PolarHBondContact N-O 2.84Å; G213-Y401 PolarHBondContact O-N 3.39Å; Y401-K403 HydrophobicContact CD2-CG 4Å |
| 402 | L | 93.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 110.8 | 164.5 | 176.6 | 66.1 | 0 | 0 | 0 | 106.5 | L171 L173 K211 F212 F263 K418 | L171-L402 HydrophobicContact CB-CD2 4.2Å; L171-L402 HydrophobicContact CD1-CD2 3.64Å; L171-L402 HydrophobicContact CD1-CG 4.32Å; L173-L402 HydrophobicContact CD1-CD2 3.81Å; L173-L402 HydrophobicContact CG-CD2 4.16Å; K211-L402 CarbonylContact O-C 3.53Å; K211-L402 WeakPolarHBondContact O-CA 3.34Å; F212-L402 HydrophobicContact CB-CD1 4.24Å; F212-L402 HydrophobicContact CD2-CD1 4.38Å; F263-L402 HydrophobicContact CZ-CD1 4.45Å; L402-K418 HydrophobicContact CD2-CD 4.49Å; L402-K418 HydrophobicContact CD2-CG 4.43Å; L402-K418 WeakPolarHBondContact O-CE 3.03Å; L402-K418 PolarHBondContact O-NZ 2.71Å |
| 403 | K | 94.9 | Very high | 93 | Very high | 109 Ų | 109 | 55.6 Ų | 55.6 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 146.5 | 176.5 | -57.3 | -169.7 | 177.7 | -172.5 | 0 | 110.6 | C210 K211 Y401 D413 | C210-K403 CarbonylContact C-O 3.52Å; C210-K403 WeakPolarHBondContact CA-O 3.41Å; K211-K403 HydrophobicContact CB-CB 4.24Å; K211-K403 PolarHBondContact N-O 3Å; K211-K403 PolarHBondContact O-N 3.18Å; Y401-K403 HydrophobicContact CD2-CG 4Å; K403-D413 VanDerWaalsContact C-OD1 3.28Å; K403-D413 WeakPolarHBondContact CA-OD1 3.46Å; K403-D413 WeakPolarHBondContact CB-OD2 3.43Å; K403-D413 WeakPolarHBondContact CG-OD2 3.38Å |
| 404 | V | 96.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130.3 | -177.4 | -171.5 | 0 | 0 | 0 | 0 | 107.4 | L171 L204 P208 Y411 S412 D413 V416 | L171-V404 HydrophobicContact CD1-CG2 3.42Å; L171-V404 VanDerWaalsContact CD1-CG2 3.42Å; L204-V404 HydrophobicContact CD1-CG1 3.97Å; P208-V404 HydrophobicContact CB-CG1 3.95Å; V404-Y411 HydrophobicContact CG1-CE2 4.1Å; V404-S412 CarbonylContact O-C 3.56Å; V404-D413 PolarHBondContact N-OD1 3.1Å; V404-D413 PolarHBondContact O-N 3.42Å; V404-V416 HydrophobicContact CB-CG2 4.21Å; V404-V416 HydrophobicContact CG1-CG2 4.02Å; V404-V416 HydrophobicContact CG2-CG1 4.36Å |
| 405 | F | 95.4 | Very high | 92.6 | Very high | 109 Ų | 109 | 68 Ų | 68 | 48% | 0.478 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 122.6 | 178.7 | 179.2 | -108.6 | 0 | 0 | 0 | 109.4 | P208 E209 P407 | P208-F405 CarbonylContact C-O 3.58Å; P208-F405 WeakPolarHBondContact CA-O 3.38Å; E209-F405 PolarHBondContact N-O 3.18Å; E209-F405 PolarHBondContact O-N 2.88Å; F405-P407 HydrophobicContact CD1-CB 4.49Å; F405-P407 HydrophobicContact CD1-CG 4.48Å; F405-P407 HydrophobicContact CE1-CB 3.68Å; F405-P407 HydrophobicContact CE1-CG 4.08Å; F405-P407 HydrophobicContact CZ-CB 4.03Å |
| 406 | E | 95.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -117.1 | 99.5 | 174.4 | 174.6 | 49.2 | -112 | 0 | 0 | 109.8 | M207 P208 K408 L409 N410 Y411 | M207-E406 VanDerWaalsContact CA-OE2 3.24Å; M207-E406 WeakPolarHBondContact CA-OE2 3.44Å; M207-E406 PolarHBondContact N-OE2 2.69Å; P208-E406 WeakPolarHBondContact CA-OE2 3.28Å; P208-E406 HydrophobicContact CB-CB 4.24Å; E406-K408 PolarHBondContact O-N 3.12Å; E406-K408 WeakPolarHBondContact OE1-CB 3.24Å; E406-K408 PolarHBondContact OE1-N 2.86Å; E406-L409 HydrophobicContact CG-CB 3.69Å; E406-L409 HydrophobicContact CG-CD1 4.32Å; E406-L409 HydrophobicContact CG-CG 4.07Å; E406-N410 WeakPolarHBondContact O-CA 3.23Å; E406-N410 PolarHBondContact O-N 2.85Å; E406-Y411 HydrophobicContact CB-CD1 3.69Å; E406-Y411 HydrophobicContact CB-CD2 4.16Å; E406-Y411 HydrophobicContact CB-CE1 3.4Å; E406-Y411 VanDerWaalsContact CB-CE1 3.4Å; E406-Y411 HydrophobicContact CB-CE2 3.87Å; E406-Y411 HydrophobicContact CB-CG 4.04Å; E406-Y411 VanDerWaalsContact CB-CZ 3.48Å; E406-Y411 HydrophobicContact CG-CD1 3.87Å; E406-Y411 HydrophobicContact CG-CE1 3.51Å; E406-Y411 PolarHBondContact N-O 3.02Å; E406-Y411 PolarHBondContact O-N 3.22Å |
| 407 | P | 90.3 | Very high | 92.8 | Very high | 79 Ų | 79 | 71.1 Ų | 71.1 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -33.5 | -175.4 | 24.6 | -31.8 | 0 | 0 | 0 | 113.6 | F405 | F405-P407 HydrophobicContact CD1-CB 4.49Å; F405-P407 HydrophobicContact CD1-CG 4.48Å; F405-P407 HydrophobicContact CE1-CB 3.68Å; F405-P407 HydrophobicContact CE1-CG 4.08Å; F405-P407 HydrophobicContact CZ-CB 4.03Å |
| 408 | K | 91.4 | Very high | 93 | Very high | 148 Ų | 148 | 74.5 Ų | 74.5 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -37 | -173.8 | -64.5 | -176.9 | 178.7 | -178.9 | 0 | 112.3 | E162 E406 | E162-K408 IonicContact OE1-NZ 2.76Å; E162-K408 PolarHBondContact OE1-NZ 2.75Å; E406-K408 PolarHBondContact O-N 3.12Å; E406-K408 WeakPolarHBondContact OE1-CB 3.24Å; E406-K408 PolarHBondContact OE1-N 2.86Å |
| 409 | L | 90.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 77.2 Ų | 77.2 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 2.7 | 179.5 | -56.1 | 177.1 | 0 | 0 | 0 | 113 | E406 Y411 | E406-L409 HydrophobicContact CG-CB 3.69Å; E406-L409 HydrophobicContact CG-CD1 4.32Å; E406-L409 HydrophobicContact CG-CG 4.07Å; L409-Y411 VanDerWaalsContact C-N 3.31Å; L409-Y411 HydrophobicContact CB-CD1 4Å; L409-Y411 HydrophobicContact CB-CE1 4.36Å; L409-Y411 HydrophobicContact CD1-CE1 4.39Å; L409-Y411 PolarHBondContact O-N 3.45Å |
| 410 | N | 89.4 | Confident | 93.4 | Very high | 145 Ų | 145 | 79 Ų | 79 | 78% | 0.775 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 42.6 | 175.1 | -162.3 | 36.5 | 0 | 0 | 0 | 114.2 | E406 | E406-N410 WeakPolarHBondContact O-CA 3.23Å; E406-N410 PolarHBondContact O-N 2.85Å |
| 411 | Y | 93.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 79.6 Ų | 79.6 | 7% | 0.071 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 151.4 | 170.7 | 81 | -105.5 | 0 | 0 | 0 | 110.9 | S205 V404 E406 L409 D415 V416 | S205-Y411 PolarHBondContact N-OH 3.13Å; S205-Y411 WeakPolarHBondContact O-CE1 3.2Å; S205-Y411 PolarHBondContact O-OH 3.14Å; V404-Y411 HydrophobicContact CG1-CE2 4.1Å; E406-Y411 HydrophobicContact CB-CD1 3.69Å; E406-Y411 HydrophobicContact CB-CD2 4.16Å; E406-Y411 HydrophobicContact CB-CE1 3.4Å; E406-Y411 VanDerWaalsContact CB-CE1 3.4Å; E406-Y411 HydrophobicContact CB-CE2 3.87Å; E406-Y411 HydrophobicContact CB-CG 4.04Å; E406-Y411 VanDerWaalsContact CB-CZ 3.48Å; E406-Y411 HydrophobicContact CG-CD1 3.87Å; E406-Y411 HydrophobicContact CG-CE1 3.51Å; E406-Y411 PolarHBondContact N-O 3.02Å; E406-Y411 PolarHBondContact O-N 3.22Å; L409-Y411 VanDerWaalsContact C-N 3.31Å; L409-Y411 HydrophobicContact CB-CD1 4Å; L409-Y411 HydrophobicContact CB-CE1 4.36Å; L409-Y411 HydrophobicContact CD1-CE1 4.39Å; L409-Y411 PolarHBondContact O-N 3.45Å; Y411-D415 HydrophobicContact CD2-CB 4.35Å; Y411-V416 HydrophobicContact CD2-CG2 3.84Å; Y411-V416 HydrophobicContact CE2-CG2 3.65Å |
| 412 | S | 92.8 | Very high | 94 | Very high | 41 Ų | 41 | 78.3 Ų | 78.3 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | trans | -134.2 | -168.1 | -167.5 | 73 | 0 | 0 | 0 | 0 | 111.9 | V404 H414 D415 | V404-S412 CarbonylContact O-C 3.56Å; S412-H414 PolarHBondContact O-N 2.83Å; S412-H414 VanDerWaalsContact O-N 3.14Å; S412-D415 PolarHBondContact N-OD2 2.81Å; S412-D415 PolarHBondContact O-N 2.84Å; S412-D415 PolarHBondContact OG-OD2 2.86Å | ||
| 413 | D | 89.1 | Confident | 94.2 | Very high | 49 Ų | 49 | 79.2 Ų | 79.2 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -53.2 | -33.3 | -179.5 | -85.7 | -29.8 | 0 | 0 | 0 | 115.1 | K403 V404 D415 K418 | K403-D413 VanDerWaalsContact C-OD1 3.28Å; K403-D413 WeakPolarHBondContact CA-OD1 3.46Å; K403-D413 WeakPolarHBondContact CB-OD2 3.43Å; K403-D413 WeakPolarHBondContact CG-OD2 3.38Å; V404-D413 PolarHBondContact N-OD1 3.1Å; V404-D413 PolarHBondContact O-N 3.42Å; D413-D415 VanDerWaalsContact C-N 3.31Å; D413-K418 PolarHBondContact O-NZ 2.98Å; D413-K418 IonicContact OD1-NZ 2.75Å; D413-K418 PolarHBondContact OD1-NZ 2.82Å |
| 414 | H | 89.9 | Confident | 94.3 | Very high | 179 Ų | 179 | 74 Ų | 74 | 83% | 0.829 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -78.2 | -19.5 | -177 | -62.4 | -72.7 | 0 | 0 | 0 | 112.8 | S412 V416 | S412-H414 PolarHBondContact O-N 2.83Å; S412-H414 VanDerWaalsContact O-N 3.14Å; H414-V416 VanDerWaalsContact C-N 3.35Å |
| 415 | D | 93.6 | Very high | 94.4 | Very high | 89 Ų | 89 | 79.4 Ų | 79.4 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -93.9 | 2.3 | -176.5 | -51.1 | -62.8 | 0 | 0 | 0 | 112.4 | Y411 S412 D413 | Y411-D415 HydrophobicContact CD2-CB 4.35Å; S412-D415 PolarHBondContact N-OD2 2.81Å; S412-D415 PolarHBondContact O-N 2.84Å; S412-D415 PolarHBondContact OG-OD2 2.86Å; D413-D415 VanDerWaalsContact C-N 3.31Å |
| 416 | V | 96 | Very high | 94.4 | Very high | 11 Ų | 11 | 75 Ų | 75 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.6 | -174.6 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | N169 L171 L204 V404 Y411 H414 K418 | N169-V416 HydrophobicContact CB-CB 4.5Å; N169-V416 HydrophobicContact CB-CG1 4.48Å; N169-V416 HydrophobicContact CB-CG2 3.94Å; N169-V416 WeakPolarHBondContact O-CA 3.45Å; L171-V416 HydrophobicContact CD1-CG1 4.06Å; L171-V416 HydrophobicContact CG-CG1 3.96Å; L204-V416 HydrophobicContact CD2-CG1 3.77Å; L204-V416 HydrophobicContact CD2-CG2 4.14Å; V404-V416 HydrophobicContact CB-CG2 4.21Å; V404-V416 HydrophobicContact CG1-CG2 4.02Å; V404-V416 HydrophobicContact CG2-CG1 4.36Å; Y411-V416 HydrophobicContact CD2-CG2 3.84Å; Y411-V416 HydrophobicContact CE2-CG2 3.65Å; H414-V416 VanDerWaalsContact C-N 3.35Å; V416-K418 HydrophobicContact CG1-CG 4.15Å |
| 417 | I | 96.8 | Very high | 94.5 | Very high | 75 Ų | 75 | 76 Ų | 76 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 128.1 | 173.6 | -56.7 | 175.2 | 0 | 0 | 0 | 108.7 | N169 E170 L171 W419 | N169-I417 PolarHBondContact O-N 2.84Å; E170-I417 CarbonylContact C-O 3.6Å; E170-I417 WeakPolarHBondContact CA-O 3.42Å; E170-I417 HydrophobicContact CG-CB 4.26Å; L171-I417 PolarHBondContact N-O 2.85Å; I417-W419 VanDerWaalsContact CG2-NE1 3.33Å |
| 418 | K | 96.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 77.6 Ų | 77.6 | 32% | 0.317 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.2 | -174.6 | -60.2 | 165.3 | -167.7 | 174.4 | 0 | 110.3 | L171 L402 D413 V416 | L171-K418 HydrophobicContact CB-CG 4.47Å; L171-K418 CarbonylContact O-C 3.57Å; L171-K418 WeakPolarHBondContact O-CA 3.44Å; L402-K418 HydrophobicContact CD2-CD 4.49Å; L402-K418 HydrophobicContact CD2-CG 4.43Å; L402-K418 WeakPolarHBondContact O-CE 3.03Å; L402-K418 PolarHBondContact O-NZ 2.71Å; D413-K418 PolarHBondContact O-NZ 2.98Å; D413-K418 IonicContact OD1-NZ 2.75Å; D413-K418 PolarHBondContact OD1-NZ 2.82Å; V416-K418 HydrophobicContact CG1-CG 4.15Å |
| 419 | W | 97.1 | Very high | 94.9 | Very high | 155 Ų | 155 | 70.8 Ų | 70.8 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 144.7 | 176.1 | -63.4 | 90.4 | 0 | 0 | 0 | 110.2 | L171 F172 L173 I417 | L171-W419 PolarHBondContact O-N 2.63Å; F172-W419 HydrophobicContact CD1-CB 3.61Å; F172-W419 AromaticContact CD1-CD1 3.55Å; F172-W419 AromaticContact CD1-CG 3.71Å; F172-W419 HydrophobicContact CD1-CG 3.71Å; F172-W419 HydrophobicContact CE1-CB 4.14Å; F172-W419 AromaticContact CE1-CD1 3.2Å; F172-W419 HydrophobicContact CE1-CD2 4.48Å; F172-W419 AromaticContact CE1-CG 3.7Å; F172-W419 HydrophobicContact CE1-CG 3.7Å; F172-W419 AromaticContact CE1-NE1 3.72Å; F172-W419 HydrophobicContact CG-CB 4.38Å; F172-W419 AromaticContact CZ-CD1 3.84Å; L173-W419 PolarHBondContact N-O 2.84Å; I417-W419 VanDerWaalsContact CG2-NE1 3.33Å |
| 420 | V | 96.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 69.6 Ų | 69.6 | 42% | 0.418 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.8 | 170.6 | 62.2 | 0 | 0 | 0 | 0 | 109.7 | L173 V175 V399 Y422 | L173-V420 HydrophobicContact CB-CB 4.34Å; L173-V420 HydrophobicContact CB-CG2 4.17Å; L173-V420 CarbonylContact O-C 3.43Å; L173-V420 VanDerWaalsContact O-CA 3.29Å; L173-V420 WeakPolarHBondContact O-CA 3.23Å; V175-V420 HydrophobicContact CG2-CG2 4.48Å; V399-V420 HydrophobicContact CB-CG2 4.45Å; V399-V420 HydrophobicContact CG2-CG2 3.85Å; V420-Y422 HydrophobicContact CG1-CE2 4.13Å; V420-Y422 HydrophobicContact CG2-CD2 4.38Å; V420-Y422 HydrophobicContact CG2-CE1 4.41Å; V420-Y422 HydrophobicContact CG2-CE2 3.71Å |
| 421 | R | 96.6 | Very high | 95.5 | Very high | 131 Ų | 131 | 62.8 Ų | 62.8 | 49% | 0.494 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.7 | 168.8 | 64.8 | 177.4 | -176.9 | 173.5 | 1.1 | 110.8 | L173 D174 V175 | L173-R421 PolarHBondContact O-N 2.88Å; D174-R421 HydrophobicContact CB-CG 4.4Å; D174-R421 WeakPolarHBondContact OD1-CD 3.49Å; D174-R421 WeakPolarHBondContact OD1-CG 3.28Å; D174-R421 IonicContact OD1-CZ 3.22Å; D174-R421 IonicContact OD1-NE 2.74Å; D174-R421 PolarHBondContact OD1-NE 2.9Å; D174-R421 IonicContact OD1-NH2 3.63Å; D174-R421 IonicContact OD2-CZ 2.7Å; D174-R421 IonicContact OD2-NE 3.07Å; D174-R421 PolarHBondContact OD2-NE 2.8Å; D174-R421 IonicContact OD2-NH2 3.97Å; D174-R421 PolarHBondContact OD2-NH2 3.14Å; V175-R421 PolarHBondContact N-O 2.8Å |
| 422 | Y | 97.7 | Very high | 95.5 | Very high | 56 Ų | 56 | 68 Ų | 68 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.1 | 179.8 | -59.5 | -92.4 | 0 | 0 | 0 | 109 | V175 P391 F392 A393 L397 V399 V420 | V175-Y422 HydrophobicContact CB-CD1 3.57Å; V175-Y422 HydrophobicContact CB-CE1 4Å; V175-Y422 HydrophobicContact CB-CG 4.38Å; V175-Y422 HydrophobicContact CG1-CD1 3.87Å; V175-Y422 HydrophobicContact CG1-CE1 4.29Å; V175-Y422 HydrophobicContact CG2-CD1 3.85Å; V175-Y422 HydrophobicContact CG2-CE1 3.72Å; P391-Y422 CarbonylContact C-O 3.55Å; F392-Y422 PolarHBondContact N-O 2.76Å; A393-Y422 HydrophobicContact CB-CD1 3.89Å; L397-Y422 HydrophobicContact CD2-CE1 4.43Å; L397-Y422 VanDerWaalsContact O-CE1 3.3Å; L397-Y422 WeakPolarHBondContact O-CE1 3.39Å; V399-Y422 PolarHBondContact N-OH 2.99Å; V420-Y422 HydrophobicContact CG1-CE2 4.13Å; V420-Y422 HydrophobicContact CG2-CD2 4.38Å; V420-Y422 HydrophobicContact CG2-CE1 4.41Å; V420-Y422 HydrophobicContact CG2-CE2 3.71Å |
| 423 | I | 97.8 | Very high | 95 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 18% | 0.179 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 110.8 | -178.4 | -52.1 | 177.8 | 0 | 0 | 0 | 108.7 | V175 L176 E177 E389 | V175-I423 PolarHBondContact O-N 2.78Å; L176-I423 WeakPolarHBondContact CA-O 3.33Å; L176-I423 HydrophobicContact CD2-CB 3.81Å; L176-I423 HydrophobicContact CD2-CD1 3.88Å; L176-I423 HydrophobicContact CD2-CG1 4.14Å; E177-I423 PolarHBondContact N-O 3.44Å; E389-I423 HydrophobicContact CG-CG2 3.8Å |
| 424 | G | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 138.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E177 E389 V390 F392 | E177-G424 CarbonylContact O-C 3.5Å; E177-G424 WeakPolarHBondContact O-CA 3.47Å; E389-G424 CarbonylContact C-O 3.57Å; E389-G424 WeakPolarHBondContact CA-O 3.4Å; V390-G424 PolarHBondContact N-O 3.41Å; V390-G424 PolarHBondContact O-N 3.01Å; F392-G424 WeakPolarHBondContact O-CA 3.37Å; F392-G424 PolarHBondContact O-N 2.91Å |
| 425 | R | 97.8 | Very high | 95.6 | Very high | 117 Ų | 117 | 62.5 Ų | 62.5 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 160.2 | 172.6 | 59.6 | 179.4 | 179.9 | -171.4 | 2.1 | 110.1 | E177 S178 V179 F388 | E177-R425 VanDerWaalsContact O-CG 3.31Å; E177-R425 WeakPolarHBondContact O-CG 3.19Å; E177-R425 PolarHBondContact O-N 2.78Å; S178-R425 CarbonylContact C-O 3.54Å; S178-R425 WeakPolarHBondContact CA-O 3.46Å; V179-R425 PolarHBondContact N-O 2.86Å; F388-R425 WeakPolarHBondContact O-CA 3.1Å |
| 426 | S | 96.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 61.1 Ų | 61.1 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 133.2 | 164.9 | 51.9 | 0 | 0 | 0 | 0 | 110.5 | M386 N387 F388 | M386-S426 VanDerWaalsContact O-CB 3.28Å; M386-S426 WeakPolarHBondContact O-CB 3.38Å; N387-S426 WeakPolarHBondContact CA-OG 3.15Å; N387-S426 PolarHBondContact OD1-OG 3.18Å; F388-S426 PolarHBondContact N-OG 2.81Å; F388-S426 VanDerWaalsContact N-OG 3.1Å; F388-S426 PolarHBondContact O-N 2.94Å |
| 427 | G | 95.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 64 Ų | 64 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -119.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S178 V179 N180 Y429 | S178-G427 WeakPolarHBondContact OG-CA 3.38Å; S178-G427 PolarHBondContact OG-N 2.71Å; V179-G427 PolarHBondContact O-N 2.86Å; N180-G427 VanDerWaalsContact OD1-CA 3.3Å; N180-G427 WeakPolarHBondContact OD1-CA 3.27Å; G427-Y429 PolarHBondContact O-N 3.35Å |
| 428 | I | 94.7 | Very high | 95.7 | Very high | 111 Ų | 111 | 63.3 Ų | 63.3 | 57% | 0.569 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 97.3 | 168.4 | -57.4 | 173.3 | 0 | 0 | 0 | 107.6 | N180 L181 E430 | N180-I428 CarbonylContact C-O 3.55Å; N180-I428 VanDerWaalsContact CA-O 3.24Å; N180-I428 WeakPolarHBondContact CA-O 3.47Å; N180-I428 PolarHBondContact OD1-N 3.4Å; L181-I428 PolarHBondContact N-O 3.31Å; L181-I428 VanDerWaalsContact O-O 3.09Å; I428-E430 HydrophobicContact CG2-CG 3.99Å |
| 429 | Y | 97.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 92.9 | -176.5 | -160.2 | -79.5 | 0 | 0 | 0 | 110.3 | V179 L181 F285 S385 M386 F388 G427 | V179-Y429 HydrophobicContact CB-CD2 4.33Å; V179-Y429 HydrophobicContact CG1-CD2 4.1Å; V179-Y429 HydrophobicContact CG1-CE2 3.95Å; L181-Y429 HydrophobicContact CB-CD2 3.59Å; L181-Y429 HydrophobicContact CB-CE2 3.61Å; L181-Y429 HydrophobicContact CB-CG 4.09Å; L181-Y429 HydrophobicContact CD1-CE2 4.41Å; L181-Y429 HydrophobicContact CD2-CD1 4.15Å; L181-Y429 HydrophobicContact CD2-CD2 4.45Å; L181-Y429 HydrophobicContact CD2-CE1 3.73Å; L181-Y429 HydrophobicContact CD2-CE2 4.04Å; L181-Y429 HydrophobicContact CG-CE2 4.23Å; F285-Y429 HydrophobicContact CB-CE1 4.49Å; F285-Y429 PolarHBondContact O-OH 2.71Å; S385-Y429 WeakPolarHBondContact CA-O 3.41Å; M386-Y429 HydrophobicContact CB-CD1 3.94Å; M386-Y429 PolarHBondContact N-O 2.8Å; M386-Y429 WeakPolarHBondContact O-CB 3.25Å; F388-Y429 HydrophobicContact CE1-CD1 4.14Å; F388-Y429 AromaticContact CE1-CD2 3.75Å; F388-Y429 HydrophobicContact CE1-CD2 3.75Å; F388-Y429 HydrophobicContact CE1-CE1 4.27Å; F388-Y429 AromaticContact CE1-CE2 3.92Å; F388-Y429 HydrophobicContact CE1-CE2 3.92Å; F388-Y429 AromaticContact CE1-CG 3.86Å; F388-Y429 HydrophobicContact CE1-CG 3.86Å; F388-Y429 AromaticContact CZ-CD2 3.95Å; F388-Y429 HydrophobicContact CZ-CD2 3.95Å; F388-Y429 AromaticContact CZ-CE2 3.98Å; F388-Y429 HydrophobicContact CZ-CE2 3.98Å; G427-Y429 PolarHBondContact O-N 3.35Å |
| 430 | E | 96.9 | Very high | 95.5 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.2 | -163.6 | -72.6 | -173.3 | 171.9 | 0 | 0 | 112.6 | L181 L182 M183 P383 I384 I428 | L181-E430 PolarHBondContact O-N 2.81Å; L182-E430 CarbonylContact C-O 3.41Å; L182-E430 WeakPolarHBondContact CA-O 3.34Å; L182-E430 HydrophobicContact CD1-CB 4.32Å; M183-E430 PolarHBondContact N-O 3.19Å; P383-E430 HydrophobicContact CB-CB 4.01Å; P383-E430 HydrophobicContact CB-CG 4.44Å; P383-E430 HydrophobicContact CG-CB 4.32Å; P383-E430 HydrophobicContact CG-CG 4.35Å; P383-E430 WeakPolarHBondContact CG-OE2 3.28Å; I384-E430 CarbonylContact O-C 3.52Å; I384-E430 WeakPolarHBondContact O-CA 3.24Å; I428-E430 HydrophobicContact CG2-CG 3.99Å |
| 431 | T | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.9 | 174.6 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | M183 P289 P383 I384 | M183-T431 HydrophobicContact CB-CG2 4.1Å; M183-T431 HydrophobicContact CE-CG2 3.53Å; M183-T431 WeakPolarHBondContact CE-OG1 3.38Å; M183-T431 HydrophobicContact CG-CG2 4.41Å; P289-T431 HydrophobicContact CG-CG2 3.86Å; P383-T431 CarbonylContact C-O 3.56Å; P383-T431 VanDerWaalsContact CA-O 3.32Å; P383-T431 WeakPolarHBondContact CA-O 3.31Å; P383-T431 WeakPolarHBondContact CB-O 3.43Å; I384-T431 PolarHBondContact N-O 3.06Å; I384-T431 PolarHBondContact O-N 2.85Å |
| 432 | R | 92.7 | Very high | 95.3 | Very high | 127 Ų | 127 | 48.8 Ų | 48.8 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | trans | -68 | 151.6 | 176.2 | -66 | 179.7 | 176.9 | 175.3 | -1.5 | 110.4 | L182 M183 P185 | L182-R432 HydrophobicContact CD1-CG 4.19Å; M183-R432 PolarHBondContact O-N 3.28Å; P185-R432 VanDerWaalsContact CA-O 3.25Å; P185-R432 WeakPolarHBondContact CA-O 3.18Å; P185-R432 HydrophobicContact CG-CB 3.9Å | ||
| 433 | C | 83.9 | Confident | 95.1 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | trans | -138.4 | 0 | -178.3 | 54.5 | 0 | 0 | 0 | 0 | 113 | P289 V291 R381 P382 I384 | P289-C433 HydrophobicContact CB-CB 4.04Å; P289-C433 HydrophobicContact CG-CB 4.03Å; V291-C433 HydrophobicContact CG2-CB 3.96Å; R381-C433 WeakPolarHBondContact CB-O 3.41Å; R381-C433 VanDerWaalsContact CD-O 3.23Å; R381-C433 WeakPolarHBondContact CD-O 3.42Å; R381-C433 VanDerWaalsContact CD-OXT 3.31Å; R381-C433 WeakPolarHBondContact CD-OXT 3.24Å; R381-C433 PolarHBondContact NH1-OXT 3.41Å; P382-C433 PolarHBondContact O-SG 3.48Å; P382-C433 VanDerWaalsContact O-SG 3.33Å; I384-C433 HydrophobicContact CD1-CB 4.23Å |
Retrieved 433 of 433 residues in 118.5 ms
(Link to these results)