| 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 | 54.1 | Low | 90.2 | Very high | 229 Ų | 229 | 59.6 Ų | 59.6 | 100% | 1.128 | 31% | 0.308 | S | S | * | . | 0 | 120.3 | 0 | -79.3 | -175.4 | 179.9 | 0 | 0 | 106.4 | R3 | M1-R3 PolarHBondContact O-N 3.13Š| |||
| 2 | A | 81.8 | Confident | 90.4 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 59% | 0.587 | 32% | 0.318 | S | S | * | . | trans | -62 | 125 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | I173 | A2-I173 HydrophobicContact CB-CG2 3.62Š| ||
| 3 | R | 92.9 | Very high | 90.7 | Very high | 133 Ų | 133 | 65.7 Ų | 65.7 | 50% | 0.502 | 33% | 0.332 | S | S | . | . | trans | -129.9 | 155.3 | 175 | 73.7 | 174.3 | -173.9 | -173.9 | -0.8 | 109.5 | M1 L5 E68 | M1-R3 PolarHBondContact O-N 3.13Å; R3-L5 HydrophobicContact CG-CD2 4.03Å; R3-L5 PolarHBondContact O-N 3.08Å; R3-E68 IonicContact CZ-OE2 2.83Å; R3-E68 PolarHBondContact NH2-O 2.58Å; R3-E68 IonicContact NH2-OE2 2.81Å; R3-E68 PolarHBondContact NH2-OE2 3.36Å | ||
| 4 | N | 95.6 | Very high | 91 | Very high | 58 Ų | 58 | 69 Ų | 69 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | trans | -68.8 | 128.6 | 169.7 | -169.8 | 3.4 | 0 | 0 | 0 | 109.8 | L6 S170 S171 V172 | N4-L6 PolarHBondContact OD1-N 2.81Å; N4-S170 PolarHBondContact ND2-O 2.64Å; N4-S171 WeakPolarHBondContact OD1-CA 3.49Å; N4-V172 WeakPolarHBondContact CA-O 2.88Å; N4-V172 PolarHBondContact OD1-N 2.94Å; N4-V172 PolarHBondContact OD1-O 2.74Å | ||
| 5 | L | 96.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | trans | -91.9 | -16.6 | 178.1 | -57.3 | -178.2 | 0 | 0 | 0 | 113 | R3 V63 L65 E68 Y70 V172 V174 | R3-L5 HydrophobicContact CG-CD2 4.03Å; R3-L5 PolarHBondContact O-N 3.08Å; L5-V63 HydrophobicContact CB-CG1 3.83Å; L5-V63 HydrophobicContact CB-CG2 4.29Å; L5-V63 HydrophobicContact CD1-CG1 4.01Å; L5-L65 HydrophobicContact CD1-CD2 3.7Å; L5-E68 HydrophobicContact CD2-CB 4.41Å; L5-E68 HydrophobicContact CD2-CG 4.42Å; L5-Y70 HydrophobicContact CD1-CE2 3.78Å; L5-Y70 HydrophobicContact CD2-CE2 3.91Å; L5-V172 HydrophobicContact CB-CB 4.48Å; L5-V172 HydrophobicContact CD1-CG1 4.46Å; L5-V172 PolarHBondContact N-O 3.26Å; L5-V174 HydrophobicContact CD1-CB 4.48Å; L5-V174 HydrophobicContact CD1-CG2 3.66Å | ||
| 6 | L | 97 | Very high | 91.5 | Very high | 8 Ų | 8 | 70.8 Ų | 70.8 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -74.9 | 131.2 | 172.7 | -64.8 | 178.3 | 0 | 0 | 0 | 110.3 | N4 W18 Q61 V63 F149 V172 | N4-L6 PolarHBondContact OD1-N 2.81Å; L6-W18 HydrophobicContact CD1-CH2 4.26Å; L6-W18 HydrophobicContact CD2-CH2 4.5Å; L6-Q61 HydrophobicContact CD2-CB 4.01Å; L6-Q61 HydrophobicContact CD2-CG 4.32Å; L6-V63 HydrophobicContact CD2-CG2 4.08Å; L6-F149 HydrophobicContact CD1-CD1 4.01Å; L6-F149 HydrophobicContact CD1-CD2 4.01Å; L6-F149 HydrophobicContact CD1-CE1 4.16Å; L6-F149 HydrophobicContact CD1-CE2 4.14Å; L6-F149 HydrophobicContact CD1-CG 3.94Å; L6-F149 HydrophobicContact CD1-CZ 4.22Å; L6-F149 HydrophobicContact CD2-CB 4.01Å; L6-F149 HydrophobicContact CD2-CG 4.26Å; L6-V172 HydrophobicContact CD1-CG2 3.83Å; L6-V172 HydrophobicContact CD2-CG2 3.99Å; L6-V172 HydrophobicContact CG-CB 4.09Å; L6-V172 HydrophobicContact CG-CG2 3.69Å |
| 7 | K | 96.8 | Very high | 91.7 | Very high | 94 Ų | 94 | 72.4 Ų | 72.4 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -87.5 | 144.9 | 173.7 | -61.7 | 176.6 | -173.7 | 167.9 | 0 | 109.8 | F17 W18 Q61 E68 | K7-F17 HydrophobicContact CB-CB 3.64Å; K7-F17 HydrophobicContact CB-CD1 4.02Å; K7-F17 HydrophobicContact CB-CD2 3.92Å; K7-F17 HydrophobicContact CB-CG 3.57Å; K7-F17 HydrophobicContact CD-CD1 3.58Å; K7-F17 HydrophobicContact CD-CE1 3.95Å; K7-F17 HydrophobicContact CD-CG 4.07Å; K7-F17 HydrophobicContact CG-CD1 4.41Å; K7-F17 HydrophobicContact CG-CG 4.44Å; K7-W18 PolarHBondContact O-NE1 3.38Å; K7-Q61 PolarHBondContact O-NE2 3.23Å; K7-E68 IonicContact NZ-OE1 3.47Å |
| 8 | N | 95.7 | Very high | 92 | Very high | 10 Ų | 10 | 69.3 Ų | 69.3 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 48.6 | 55.2 | 178.8 | -175.3 | 30.4 | 0 | 0 | 0 | 113.8 | A10 G11 E12 E13 Q14 E16 F17 W18 | N8-A10 VanDerWaalsContact C-N 3.27Å; N8-A10 PolarHBondContact O-N 3.08Å; N8-G11 WeakPolarHBondContact OD1-CA 3.31Å; N8-G11 PolarHBondContact OD1-N 3.15Å; N8-G11 VanDerWaalsContact OD1-N 3.15Å; N8-E12 PolarHBondContact OD1-N 3.26Å; N8-E13 HydrophobicContact CB-CB 4.47Å; N8-E13 PolarHBondContact OD1-N 2.93Å; N8-E13 VanDerWaalsContact OD1-N 3.11Å; N8-Q14 PolarHBondContact ND2-O 3.36Å; N8-E16 PolarHBondContact ND2-O 2.96Å; N8-F17 HydrophobicContact CB-CD2 3.82Å; N8-W18 PolarHBondContact O-NE1 3.41Å |
| 9 | P | 94.9 | Very high | 92.3 | Very high | 36 Ų | 36 | 70.8 Ų | 70.8 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -72.4 | -16.6 | -173.8 | 30.5 | -37.4 | 0 | 0 | 0 | 114.4 | G169 S170 | P9-G169 PolarHBondContact O-N 2.86Å; P9-S170 WeakPolarHBondContact CB-O 3.3Å |
| 10 | A | 93.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 70.8 Ų | 70.8 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -116.1 | -2.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N8 V46 K48 T168 | N8-A10 VanDerWaalsContact C-N 3.27Å; N8-A10 PolarHBondContact O-N 3.08Å; A10-V46 HydrophobicContact CB-CG1 4.22Å; A10-K48 CarbonylContact O-C 3.54Å; A10-K48 WeakPolarHBondContact O-CB 3.23Å; A10-T168 WeakPolarHBondContact CA-OG1 3.44Å |
| 11 | G | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 86.4 | 16.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N8 E13 Q14 V30 F50 | N8-G11 WeakPolarHBondContact OD1-CA 3.31Å; N8-G11 PolarHBondContact OD1-N 3.15Å; N8-G11 VanDerWaalsContact OD1-N 3.15Å; G11-E13 PolarHBondContact O-N 3.46Å; G11-Q14 PolarHBondContact O-N 2.97Å; G11-V30 WeakPolarHBondContact O-CG1 3.24Å; G11-F50 VanDerWaalsContact N-CZ 3.3Å |
| 12 | E | 93.1 | Very high | 94.8 | Very high | 91 Ų | 91 | 63.3 Ų | 63.3 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -32.7 | 176.1 | -66.7 | -58.4 | 161.1 | 0 | 0 | 112.8 | N8 T47 K48 | N8-E12 PolarHBondContact OD1-N 3.26Å; E12-T47 PolarHBondContact OE1-OG1 2.71Å; E12-K48 WeakPolarHBondContact OE2-CE 3.45Å; E12-K48 IonicContact OE2-NZ 3.78Å; E12-K48 PolarHBondContact OE2-NZ 2.87Å |
| 13 | E | 94.3 | Very high | 95.4 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 34.4 | 176.8 | -61.6 | 177 | -93.7 | 0 | 0 | 111.4 | N8 G11 M15 E16 F17 | N8-E13 HydrophobicContact CB-CB 4.47Å; N8-E13 PolarHBondContact OD1-N 2.93Å; N8-E13 VanDerWaalsContact OD1-N 3.11Å; G11-E13 PolarHBondContact O-N 3.46Å; E13-M15 PolarHBondContact O-N 3.14Å; E13-E16 HydrophobicContact CB-CB 4.01Å; E13-E16 HydrophobicContact CB-CG 4.43Å; E13-E16 VanDerWaalsContact O-CB 3.25Å; E13-E16 WeakPolarHBondContact O-CB 3.34Å; E13-E16 VanDerWaalsContact O-CG 3.28Å; E13-E16 WeakPolarHBondContact O-CG 3.44Å; E13-E16 PolarHBondContact O-N 3.23Å; E13-E16 VanDerWaalsContact O-N 3.07Å; E13-F17 WeakPolarHBondContact OE1-CE2 3.33Å |
| 14 | Q | 94.4 | Very high | 95.5 | Very high | 112 Ų | 112 | 56.8 Ų | 56.8 | 52% | 0.523 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -126.8 | -176.7 | -58.9 | -66.3 | -13 | 0 | 0 | 110.7 | N8 G11 F50 | N8-Q14 PolarHBondContact ND2-O 3.36Å; G11-Q14 PolarHBondContact O-N 2.97Å; Q14-F50 VanDerWaalsContact O-CE1 3.29Å; Q14-F50 WeakPolarHBondContact O-CE1 3.34Å |
| 15 | M | 93.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 9.5 | 177.9 | -56.9 | -58.4 | -73.2 | 0 | 0 | 113.4 | E13 W18 L20 W28 V30 F50 K59 | E13-M15 PolarHBondContact O-N 3.14Å; M15-W18 PolarHBondContact O-N 2.95Å; M15-L20 HydrophobicContact CE-CD2 3.31Å; M15-W28 HydrophobicContact CE-CB 3.41Å; M15-W28 VanDerWaalsContact CE-CB 3.41Å; M15-W28 HydrophobicContact CE-CD2 3.83Å; M15-W28 HydrophobicContact CE-CE3 4.39Å; M15-W28 HydrophobicContact CE-CG 3.4Å; M15-W28 HydrophobicContact SD-CB 3.91Å; M15-W28 HydrophobicContact SD-CG 4.46Å; M15-V30 HydrophobicContact SD-CG2 4.08Å; M15-F50 HydrophobicContact CE-CD1 4.2Å; M15-F50 HydrophobicContact CE-CE1 4.41Å; M15-F50 HydrophobicContact SD-CD1 3.45Å; M15-F50 WeakPolarHBondContact SD-CD1 3.21Å; M15-F50 HydrophobicContact SD-CE1 3.55Å; M15-F50 VanDerWaalsContact SD-CE1 3.55Å; M15-K59 HydrophobicContact CE-CD 3.72Å |
| 16 | E | 96.1 | Very high | 95.5 | Very high | 126 Ų | 126 | 57.1 Ų | 57.1 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 147.9 | 178.1 | -71.5 | -68.5 | 154.3 | 0 | 0 | 111.2 | N8 E13 W18 | N8-E16 PolarHBondContact ND2-O 2.96Å; E13-E16 HydrophobicContact CB-CB 4.01Å; E13-E16 HydrophobicContact CB-CG 4.43Å; E13-E16 VanDerWaalsContact O-CB 3.25Å; E13-E16 WeakPolarHBondContact O-CB 3.34Å; E13-E16 VanDerWaalsContact O-CG 3.28Å; E13-E16 WeakPolarHBondContact O-CG 3.44Å; E13-E16 PolarHBondContact O-N 3.23Å; E13-E16 VanDerWaalsContact O-N 3.07Å; E16-W18 PolarHBondContact O-N 3.01Å |
| 17 | F | 95.8 | Very high | 95.5 | Very high | 97 Ų | 97 | 61.8 Ų | 61.8 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -4 | -175.6 | -47.5 | -79.6 | 0 | 0 | 0 | 116.7 | K7 N8 E13 Q61 | K7-F17 HydrophobicContact CB-CB 3.64Å; K7-F17 HydrophobicContact CB-CD1 4.02Å; K7-F17 HydrophobicContact CB-CD2 3.92Å; K7-F17 HydrophobicContact CB-CG 3.57Å; K7-F17 HydrophobicContact CD-CD1 3.58Å; K7-F17 HydrophobicContact CD-CE1 3.95Å; K7-F17 HydrophobicContact CD-CG 4.07Å; K7-F17 HydrophobicContact CG-CD1 4.41Å; K7-F17 HydrophobicContact CG-CG 4.44Å; N8-F17 HydrophobicContact CB-CD2 3.82Å; E13-F17 WeakPolarHBondContact OE1-CE2 3.33Å; F17-Q61 WeakPolarHBondContact O-CG 3.5Å; F17-Q61 PolarHBondContact O-NE2 3.36Å |
| 18 | W | 97.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | trans | -103.1 | 128.3 | 175.8 | -67.9 | 96.7 | 0 | 0 | 0 | 111 | L6 K7 N8 M15 E16 F50 K59 Q61 F149 | L6-W18 HydrophobicContact CD1-CH2 4.26Å; L6-W18 HydrophobicContact CD2-CH2 4.5Å; K7-W18 PolarHBondContact O-NE1 3.38Å; N8-W18 PolarHBondContact O-NE1 3.41Å; M15-W18 PolarHBondContact O-N 2.95Å; E16-W18 PolarHBondContact O-N 3.01Å; W18-F50 AromaticContact NE1-CZ 3.89Å; W18-K59 HydrophobicContact CB-CB 4.28Å; W18-K59 HydrophobicContact CB-CD 4.24Å; W18-K59 HydrophobicContact CD2-CD 3.97Å; W18-K59 HydrophobicContact CD2-CG 4.16Å; W18-K59 VanDerWaalsContact CD2-NZ 3.26Å; W18-K59 HydrophobicContact CE3-CB 4.16Å; W18-K59 HydrophobicContact CE3-CD 4.06Å; W18-K59 HydrophobicContact CE3-CG 3.72Å; W18-K59 HydrophobicContact CG-CD 4.02Å; W18-K59 HydrophobicContact CZ3-CG 4.24Å; W18-Q61 HydrophobicContact CD2-CB 4.45Å; W18-Q61 HydrophobicContact CE3-CB 3.87Å; W18-Q61 HydrophobicContact CH2-CB 4.3Å; W18-Q61 HydrophobicContact CZ3-CB 3.79Å; W18-F149 AromaticContact CH2-CD1 3.82Å; W18-F149 HydrophobicContact CH2-CD1 3.82Å; W18-F149 HydrophobicContact CH2-CE1 4Å; W18-F149 AromaticContact CZ3-CD1 3.94Å; W18-F149 HydrophobicContact CZ3-CD1 3.94Å; W18-F149 HydrophobicContact CZ3-CE1 4.39Å | ||
| 19 | E | 97.6 | Very high | 95.5 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.3 | 167.5 | -177.6 | -171.1 | -171.9 | 0 | 0 | 108.7 | T21 K59 R60 | E19-T21 HydrophobicContact CG-CG2 4.41Å; E19-T21 PolarHBondContact O-N 3.36Å; E19-K59 CarbonylContact O-C 3.58Å; E19-K59 VanDerWaalsContact O-CA 3.26Å; E19-K59 WeakPolarHBondContact O-CA 3.46Å; E19-R60 VanDerWaalsContact CD-NH2 3.25Å; E19-R60 PolarHBondContact N-O 3.06Å; E19-R60 PolarHBondContact O-N 3.1Å; E19-R60 IonicContact OE1-NH2 3.71Å; E19-R60 PolarHBondContact OE1-NH2 3.12Å; E19-R60 IonicContact OE2-CZ 3.7Å; E19-R60 VanDerWaalsContact OE2-CZ 3.25Å; E19-R60 IonicContact OE2-NE 3.71Å; E19-R60 PolarHBondContact OE2-NE 3.01Å; E19-R60 IonicContact OE2-NH2 3.78Å; E19-R60 PolarHBondContact OE2-NH2 3.17Å |
| 20 | L | 97.1 | Very high | 95.6 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 37% | 0.366 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 101.3 | 176.6 | -49.8 | -175.7 | 0 | 0 | 0 | 108.9 | M15 K59 | M15-L20 HydrophobicContact CE-CD2 3.31Å; L20-K59 HydrophobicContact CD2-CB 3.94Å |
| 21 | T | 96.3 | Very high | 95.6 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -34.2 | 178.2 | 49 | 0 | 0 | 0 | 0 | 111.2 | E19 L58 R60 E150 | E19-T21 HydrophobicContact CG-CG2 4.41Å; E19-T21 PolarHBondContact O-N 3.36Å; T21-L58 PolarHBondContact N-O 3.41Å; T21-L58 VanDerWaalsContact N-O 3.07Å; T21-L58 VanDerWaalsContact OG1-CB 3.26Å; T21-L58 WeakPolarHBondContact OG1-CB 3.26Å; T21-L58 PolarHBondContact OG1-O 3.37Å; T21-R60 HydrophobicContact CG2-CB 3.93Å; T21-E150 WeakPolarHBondContact CB-OE2 3.35Å; T21-E150 VanDerWaalsContact CG2-OE2 3.3Å; T21-E150 WeakPolarHBondContact CG2-OE2 3.29Å; T21-E150 PolarHBondContact OG1-OE2 3.42Å |
| 22 | E | 96.8 | Very high | 95.6 | Very high | 102 Ų | 102 | 68.3 Ų | 68.3 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 140.3 | 170.3 | -64.9 | -66.7 | 145.3 | 0 | 0 | 109.8 | L56 C57 L58 | E22-L56 HydrophobicContact CB-CG 4.35Å; E22-L56 HydrophobicContact CG-CD2 4.24Å; E22-L56 HydrophobicContact CG-CG 4.45Å; E22-C57 CarbonylContact O-C 3.51Å; E22-C57 WeakPolarHBondContact O-CA 3.25Å; E22-L58 HydrophobicContact CB-CB 3.92Å; E22-L58 HydrophobicContact CB-CD1 4.36Å; E22-L58 HydrophobicContact CB-CG 4.1Å; E22-L58 HydrophobicContact CG-CB 4.29Å; E22-L58 HydrophobicContact CG-CD1 3.94Å; E22-L58 HydrophobicContact CG-CG 4.24Å; E22-L58 PolarHBondContact N-O 3.03Å; E22-L58 PolarHBondContact O-N 2.91Å |
| 23 | N | 95.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 55.4 | -176.4 | -163.1 | 32.3 | 0 | 0 | 0 | 111.2 | Q27 W28 | N23-Q27 WeakPolarHBondContact ND2-CG 3.41Å; N23-Q27 VanDerWaalsContact OD1-CA 3.27Å; N23-Q27 WeakPolarHBondContact OD1-CA 3.28Å; N23-Q27 VanDerWaalsContact OD1-CB 3.23Å; N23-Q27 WeakPolarHBondContact OD1-CB 3.26Å; N23-W28 PolarHBondContact OD1-N 3.35Å |
| 24 | G | 94.5 | Very high | 94.8 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | trans | -72.7 | 168.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S26 Q27 L56 C57 | G24-S26 PolarHBondContact O-N 3.28Å; G24-Q27 WeakPolarHBondContact O-CA 3.5Å; G24-Q27 PolarHBondContact O-N 2.68Å; G24-L56 PolarHBondContact N-O 3.03Å; G24-C57 PolarHBondContact O-SG 3.19Å; G24-C57 VanDerWaalsContact O-SG 3.41Å | ||
| 25 | G | 95.7 | Very high | 94.2 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -132.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q27 E55 | G25-Q27 PolarHBondContact O-N 2.95Å; G25-E55 PolarHBondContact N-OE2 2.86Å |
| 26 | S | 96.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 63.1 Ų | 63.1 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 15.6 | 175.1 | -76 | 0 | 0 | 0 | 0 | 113.5 | G24 S53 D160 W162 | G24-S26 PolarHBondContact O-N 3.28Å; S26-S53 WeakPolarHBondContact CB-OG 3.46Å; S26-S53 PolarHBondContact N-OG 2.96Å; S26-D160 PolarHBondContact OG-OD1 2.8Å; S26-W162 WeakPolarHBondContact O-CZ2 3.43Å; S26-W162 PolarHBondContact O-NE1 2.84Å |
| 27 | Q | 96.9 | Very high | 92.7 | Very high | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | trans | 67 | 175 | 173.6 | -55.9 | -179 | 1 | 0 | 0 | 114 | N23 G24 G25 W162 | N23-Q27 WeakPolarHBondContact ND2-CG 3.41Å; N23-Q27 VanDerWaalsContact OD1-CA 3.27Å; N23-Q27 WeakPolarHBondContact OD1-CA 3.28Å; N23-Q27 VanDerWaalsContact OD1-CB 3.23Å; N23-Q27 WeakPolarHBondContact OD1-CB 3.26Å; G24-Q27 WeakPolarHBondContact O-CA 3.5Å; G24-Q27 PolarHBondContact O-N 2.68Å; G25-Q27 PolarHBondContact O-N 2.95Å; Q27-W162 PolarHBondContact O-NE1 3Å | ||
| 28 | W | 96.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 8% | 0.076 | 31% | 0.313 | C | S | . | . | trans | -62.5 | 140.5 | 169.9 | -75.5 | 101.3 | 0 | 0 | 0 | 112 | M15 N23 F50 T52 C57 K59 V167 | M15-W28 HydrophobicContact CE-CB 3.41Å; M15-W28 VanDerWaalsContact CE-CB 3.41Å; M15-W28 HydrophobicContact CE-CD2 3.83Å; M15-W28 HydrophobicContact CE-CE3 4.39Å; M15-W28 HydrophobicContact CE-CG 3.4Å; M15-W28 HydrophobicContact SD-CB 3.91Å; M15-W28 HydrophobicContact SD-CG 4.46Å; N23-W28 PolarHBondContact OD1-N 3.35Å; W28-F50 HydrophobicContact CE3-CB 3.83Å; W28-F50 HydrophobicContact CZ3-CB 3.64Å; W28-T52 HydrophobicContact CD2-CG2 4.26Å; W28-T52 HydrophobicContact CE3-CG2 3.81Å; W28-T52 HydrophobicContact CH2-CG2 3.24Å; W28-T52 HydrophobicContact CZ2-CG2 3.72Å; W28-T52 HydrophobicContact CZ3-CG2 3.28Å; W28-C57 HydrophobicContact CD2-CB 4.09Å; W28-C57 HydrophobicContact CG-CB 4.35Å; W28-C57 HydrophobicContact CZ2-CB 3.95Å; W28-C57 WeakPolarHBondContact CZ2-O 3.31Å; W28-K59 HydrophobicContact CD2-CD 4.46Å; W28-K59 HydrophobicContact CH2-CD 4.2Å; W28-K59 HydrophobicContact CH2-CG 4.26Å; W28-K59 HydrophobicContact CZ2-CB 4.17Å; W28-K59 HydrophobicContact CZ2-CD 4.08Å; W28-K59 HydrophobicContact CZ2-CG 3.87Å; W28-K59 HydrophobicContact CZ3-CD 4.47Å; W28-V167 HydrophobicContact CH2-CG2 4.07Å; W28-V167 HydrophobicContact CZ3-CG2 3.98Å | ||
| 29 | Q | 96.6 | Very high | 90.9 | Very high | 64 Ų | 64 | 60.6 Ų | 60.6 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 144.6 | 169 | -179.1 | 172.7 | 42.4 | 0 | 0 | 110.4 | E31 F50 S51 W162 | Q29-E31 HydrophobicContact CG-CG 4.03Å; Q29-F50 CarbonylContact O-C 3.59Å; Q29-F50 WeakPolarHBondContact O-CA 3.35Å; Q29-S51 PolarHBondContact N-O 2.99Å; Q29-S51 VanDerWaalsContact N-O 3.09Å; Q29-S51 PolarHBondContact O-N 2.83Å; Q29-W162 HydrophobicContact CB-CD2 4.1Å; Q29-W162 HydrophobicContact CB-CG 4.02Å; Q29-W162 HydrophobicContact CB-CZ2 4.24Å; Q29-W162 VanDerWaalsContact CB-NE1 3.3Å; Q29-W162 VanDerWaalsContact OE1-CE2 3.23Å |
| 30 | V | 96.5 | Very high | 90 | Very high | 20 Ų | 20 | 61 Ų | 61 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.3 | 166.6 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | G11 M15 K48 Y49 F50 | G11-V30 WeakPolarHBondContact O-CG1 3.24Å; M15-V30 HydrophobicContact SD-CG2 4.08Å; V30-K48 HydrophobicContact CG1-CB 4.08Å; V30-K48 HydrophobicContact CG1-CD 3.99Å; V30-K48 HydrophobicContact CG1-CG 4.38Å; V30-Y49 WeakPolarHBondContact CA-O 3.26Å; V30-F50 HydrophobicContact CG2-CD1 3.62Å; V30-F50 HydrophobicContact CG2-CE1 3.75Å |
| 31 | E | 94.1 | Very high | 89.1 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 158.4 | -179.6 | -63.9 | -175.9 | 103 | 0 | 0 | 110.6 | Q29 K48 Y49 S51 | Q29-E31 HydrophobicContact CG-CG 4.03Å; E31-K48 VanDerWaalsContact O-CA 3.27Å; E31-K48 WeakPolarHBondContact O-CA 3.39Å; E31-K48 WeakPolarHBondContact O-CB 3.47Å; E31-Y49 HydrophobicContact CB-CD2 4.49Å; E31-Y49 HydrophobicContact CB-CE1 4.02Å; E31-Y49 HydrophobicContact CB-CE2 3.77Å; E31-Y49 VanDerWaalsContact CB-CZ 3.45Å; E31-Y49 VanDerWaalsContact CB-OH 3.29Å; E31-Y49 WeakPolarHBondContact CB-OH 3.3Å; E31-Y49 VanDerWaalsContact CD-OH 3.28Å; E31-Y49 HydrophobicContact CG-CE2 4.37Å; E31-Y49 PolarHBondContact N-O 3.33Å; E31-Y49 PolarHBondContact O-N 2.99Å; E31-Y49 VanDerWaalsContact OE2-CE2 3.26Å; E31-Y49 WeakPolarHBondContact OE2-CE2 3.33Å; E31-Y49 PolarHBondContact OE2-OH 3.29Å; E31-S51 PolarHBondContact OE2-OG 3.02Å |
| 32 | E | 91.9 | Very high | 88 | Confident | 145 Ų | 145 | 60.5 Ų | 60.5 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 146.9 | 176.8 | -64.5 | -170.2 | 160.4 | 0 | 0 | 111.5 | P34 K48 Y49 | E32-P34 CarbonylContact O-C 3.58Å; E32-K48 HydrophobicContact CG-CG 4.31Å; E32-Y49 WeakPolarHBondContact O-CE1 3.49Å |
| 33 | M | 87.2 | Confident | 87.2 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 15% | 0.148 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -82.9 | 140.1 | 176.1 | -170.3 | 105.4 | 68.4 | 0 | 0 | 111 | F41 V46 T47 Y49 W130 | M33-F41 HydrophobicContact CE-CB 3.17Å; M33-F41 HydrophobicContact CE-CD1 4.4Å; M33-F41 HydrophobicContact CE-CG 3.85Å; M33-F41 HydrophobicContact SD-CB 3.43Å; M33-F41 WeakPolarHBondContact SD-CB 3.25Å; M33-V46 HydrophobicContact CE-CB 4.14Å; M33-V46 HydrophobicContact CE-CG1 3.68Å; M33-V46 WeakPolarHBondContact CE-O 3.48Å; M33-T47 VanDerWaalsContact CB-O 3.3Å; M33-T47 WeakPolarHBondContact CB-O 3.44Å; M33-T47 PolarHBondContact N-O 3.46Å; M33-Y49 HydrophobicContact SD-CD1 4.47Å; M33-W130 HydrophobicContact SD-CZ2 4.23Å |
| 34 | P | 83.9 | Confident | 86 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | S | Bend | cis | -78 | 139.7 | -8.2 | 32.5 | -33.4 | 0 | 0 | 0 | 111.8 | E32 | E32-P34 CarbonylContact O-C 3.58Š|
| 35 | G | 80.9 | Confident | 85.1 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 155.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C37 G38 Y49 | G35-C37 PolarHBondContact O-N 3.41Å; G35-G38 WeakPolarHBondContact O-CA 3.23Å; G35-G38 PolarHBondContact O-N 3.32Å; G35-Y49 WeakPolarHBondContact CA-OH 3.42Å |
| 36 | D | 80.4 | Confident | 84.6 | Confident | 119 Ų | 119 | 67 Ų | 67 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 133.9 | 173.1 | -82.1 | -21.3 | 0 | 0 | 0 | 111.1 | G38 R166 | D36-G38 PolarHBondContact O-N 2.91Å; D36-R166 PolarHBondContact O-NH1 3.49Å; D36-R166 PolarHBondContact O-NH2 3Å |
| 37 | C | 79.1 | Confident | 84.2 | Confident | 60 Ų | 60 | 68.2 Ų | 68.2 | 41% | 0.405 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 26.9 | -177 | -61 | 0 | 0 | 0 | 0 | 113.4 | G35 R90 T91 D92 | G35-C37 PolarHBondContact O-N 3.41Å; C37-R90 HydrophobicContact CB-CB 4.43Å; C37-R90 WeakPolarHBondContact O-CA 3.35Å; C37-T91 PolarHBondContact O-N 3.07Å; C37-T91 PolarHBondContact O-OG1 2.78Å; C37-D92 PolarHBondContact SG-OD2 2.86Å |
| 38 | G | 74.6 | Confident | 84.1 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 25% | 0.247 | 38% | 0.378 | C | S | . | . | trans | -115.7 | 166.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | G35 D36 | G35-G38 WeakPolarHBondContact O-CA 3.23Å; G35-G38 PolarHBondContact O-N 3.32Å; D36-G38 PolarHBondContact O-N 2.91Å | ||
| 39 | Y | 79.8 | Confident | 84 | Confident | 103 Ų | 103 | 64 Ų | 64 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | trans | -91.4 | 149.9 | 172.5 | -69.5 | -95.7 | 0 | 0 | 0 | 110.5 | T91 D127 W130 | Y39-T91 HydrophobicContact CE2-CG2 3.63Å; Y39-D127 WeakPolarHBondContact CE2-O 3.5Å; Y39-D127 VanDerWaalsContact CZ-O 3.3Å; Y39-D127 PolarHBondContact OH-O 3.32Å; Y39-W130 PolarHBondContact O-NE1 3.44Å | ||
| 40 | N | 79.8 | Confident | 84.1 | Confident | 106 Ų | 106 | 61 Ų | 61 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | trans | -70 | 137.4 | 167.1 | -166.8 | -11.1 | 0 | 0 | 0 | 109 | G42 | N40-G42 VanDerWaalsContact C-N 3.29Å; N40-G42 PolarHBondContact O-N 2.88Å; N40-G42 PolarHBondContact OD1-N 2.75Å | ||
| 41 | F | 78.7 | Confident | 84.1 | Confident | 33 Ų | 33 | 60 Ų | 60 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | trans | -69 | -28 | 179 | -173 | -100.7 | 0 | 0 | 0 | 112.8 | M33 D43 V46 W86 W130 T168 | M33-F41 HydrophobicContact CE-CB 3.17Å; M33-F41 HydrophobicContact CE-CD1 4.4Å; M33-F41 HydrophobicContact CE-CG 3.85Å; M33-F41 HydrophobicContact SD-CB 3.43Å; M33-F41 WeakPolarHBondContact SD-CB 3.25Å; F41-D43 HydrophobicContact CD1-CB 3.64Å; F41-D43 HydrophobicContact CE1-CB 3.77Å; F41-V46 HydrophobicContact CD1-CB 3.9Å; F41-V46 HydrophobicContact CD1-CG1 4.3Å; F41-V46 HydrophobicContact CD1-CG2 4.08Å; F41-V46 HydrophobicContact CE1-CB 4.09Å; F41-V46 HydrophobicContact CE1-CG1 4.45Å; F41-V46 HydrophobicContact CE1-CG2 3.75Å; F41-W86 HydrophobicContact CE2-CB 3.6Å; F41-W86 AromaticContact CE2-CD1 3.99Å; F41-W86 AromaticContact CE2-CD2 3.45Å; F41-W86 HydrophobicContact CE2-CD2 3.45Å; F41-W86 VanDerWaalsContact CE2-CD2 3.45Å; F41-W86 AromaticContact CE2-CE3 3.73Å; F41-W86 HydrophobicContact CE2-CE3 3.73Å; F41-W86 AromaticContact CE2-CG 3.42Å; F41-W86 HydrophobicContact CE2-CG 3.42Å; F41-W86 VanDerWaalsContact CE2-CG 3.42Å; F41-W86 HydrophobicContact CE2-CZ3 4.49Å; F41-W86 HydrophobicContact CZ-CB 4.24Å; F41-W86 AromaticContact CZ-CD1 3.73Å; F41-W86 AromaticContact CZ-CD2 3.63Å; F41-W86 HydrophobicContact CZ-CD2 3.63Å; F41-W86 AromaticContact CZ-CE2 3.72Å; F41-W86 HydrophobicContact CZ-CE3 4.21Å; F41-W86 AromaticContact CZ-CG 3.64Å; F41-W86 HydrophobicContact CZ-CG 3.64Å; F41-W86 HydrophobicContact CZ-CZ2 4.36Å; F41-W86 AromaticContact CZ-NE1 3.76Å; F41-W130 HydrophobicContact CB-CG 4.5Å; F41-W130 HydrophobicContact CD2-CB 4.14Å; F41-W130 AromaticContact CD2-CD2 3.62Å; F41-W130 HydrophobicContact CD2-CD2 3.62Å; F41-W130 AromaticContact CD2-CE2 3.98Å; F41-W130 AromaticContact CD2-CE3 3.98Å; F41-W130 HydrophobicContact CD2-CE3 3.98Å; F41-W130 AromaticContact CD2-CG 3.69Å; F41-W130 HydrophobicContact CD2-CG 3.69Å; F41-W130 HydrophobicContact CE2-CD2 4.3Å; F41-W130 HydrophobicContact CE2-CE3 4.24Å; F41-W130 HydrophobicContact CE2-CG 4.48Å; F41-T168 HydrophobicContact CD2-CG2 4Å; F41-T168 HydrophobicContact CE2-CG2 3.87Å; F41-T168 HydrophobicContact CZ-CG2 4.47Å | ||
| 42 | G | 73.3 | Confident | 84.2 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 83 | 6.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N40 | N40-G42 VanDerWaalsContact C-N 3.29Å; N40-G42 PolarHBondContact O-N 2.88Å; N40-G42 PolarHBondContact OD1-N 2.75Å |
| 43 | D | 78.2 | Confident | 84.4 | Confident | 89 Ų | 89 | 51.2 Ų | 51.2 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | trans | -111.2 | 117.2 | 167 | -170.5 | -20 | 0 | 0 | 0 | 109.4 | F41 G45 V46 | F41-D43 HydrophobicContact CD1-CB 3.64Å; F41-D43 HydrophobicContact CE1-CB 3.77Å; D43-G45 PolarHBondContact O-N 2.83Å; D43-G45 VanDerWaalsContact O-N 3.13Å; D43-G45 PolarHBondContact OD1-N 3Å; D43-V46 HydrophobicContact CB-CG2 4.38Å; D43-V46 PolarHBondContact O-N 3.19Å; D43-V46 VanDerWaalsContact O-N 3.12Å | ||
| 44 | D | 72 | Confident | 84.8 | Confident | 163 Ų | 163 | 51.7 Ų | 51.7 | 87% | 0.872 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16 | 179.5 | -67.9 | -27.3 | 0 | 0 | 0 | 112.8 | ||
| 45 | G | 75.1 | Confident | 85.3 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 63% | 0.629 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D43 | D43-G45 PolarHBondContact O-N 2.83Å; D43-G45 VanDerWaalsContact O-N 3.13Å; D43-G45 PolarHBondContact OD1-N 3Å |
| 46 | V | 84.9 | Confident | 86.1 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.127 | 32% | 0.318 | C | S | . | . | trans | -112.4 | 104.2 | -179.5 | -176.2 | 0 | 0 | 0 | 0 | 109 | A10 M33 F41 D43 T168 | A10-V46 HydrophobicContact CB-CG1 4.22Å; M33-V46 HydrophobicContact CE-CB 4.14Å; M33-V46 HydrophobicContact CE-CG1 3.68Å; M33-V46 WeakPolarHBondContact CE-O 3.48Å; F41-V46 HydrophobicContact CD1-CB 3.9Å; F41-V46 HydrophobicContact CD1-CG1 4.3Å; F41-V46 HydrophobicContact CD1-CG2 4.08Å; F41-V46 HydrophobicContact CE1-CB 4.09Å; F41-V46 HydrophobicContact CE1-CG1 4.45Å; F41-V46 HydrophobicContact CE1-CG2 3.75Å; D43-V46 HydrophobicContact CB-CG2 4.38Å; D43-V46 PolarHBondContact O-N 3.19Å; D43-V46 VanDerWaalsContact O-N 3.12Å; V46-T168 HydrophobicContact CG1-CG2 3.87Å; V46-T168 WeakPolarHBondContact CG1-OG1 3.29Å | ||
| 47 | T | 87.7 | Confident | 87 | Confident | 66 Ų | 66 | 48.6 Ų | 48.6 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | trans | -103.1 | -11.4 | -174 | 77.5 | 0 | 0 | 0 | 0 | 114.3 | E12 M33 | E12-T47 PolarHBondContact OE1-OG1 2.71Å; M33-T47 VanDerWaalsContact CB-O 3.3Å; M33-T47 WeakPolarHBondContact CB-O 3.44Å; M33-T47 PolarHBondContact N-O 3.46Å | ||
| 48 | K | 94.5 | Very high | 87.9 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 164.1 | -175.3 | -71.3 | 176.3 | -171.7 | 151 | 0 | 112.1 | A10 E12 V30 E31 E32 T168 | A10-K48 CarbonylContact O-C 3.54Å; A10-K48 WeakPolarHBondContact O-CB 3.23Å; E12-K48 WeakPolarHBondContact OE2-CE 3.45Å; E12-K48 IonicContact OE2-NZ 3.78Å; E12-K48 PolarHBondContact OE2-NZ 2.87Å; V30-K48 HydrophobicContact CG1-CB 4.08Å; V30-K48 HydrophobicContact CG1-CD 3.99Å; V30-K48 HydrophobicContact CG1-CG 4.38Å; E31-K48 VanDerWaalsContact O-CA 3.27Å; E31-K48 WeakPolarHBondContact O-CA 3.39Å; E31-K48 WeakPolarHBondContact O-CB 3.47Å; E32-K48 HydrophobicContact CG-CG 4.31Å; K48-T168 PolarHBondContact O-OG1 2.86Å |
| 49 | Y | 95.9 | Very high | 89 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 162.5 | 174.6 | 62.4 | -91.2 | 0 | 0 | 0 | 110.6 | V30 E31 E32 M33 G35 S51 W130 R166 | V30-Y49 WeakPolarHBondContact CA-O 3.26Å; E31-Y49 HydrophobicContact CB-CD2 4.49Å; E31-Y49 HydrophobicContact CB-CE1 4.02Å; E31-Y49 HydrophobicContact CB-CE2 3.77Å; E31-Y49 VanDerWaalsContact CB-CZ 3.45Å; E31-Y49 VanDerWaalsContact CB-OH 3.29Å; E31-Y49 WeakPolarHBondContact CB-OH 3.3Å; E31-Y49 VanDerWaalsContact CD-OH 3.28Å; E31-Y49 HydrophobicContact CG-CE2 4.37Å; E31-Y49 PolarHBondContact N-O 3.33Å; E31-Y49 PolarHBondContact O-N 2.99Å; E31-Y49 VanDerWaalsContact OE2-CE2 3.26Å; E31-Y49 WeakPolarHBondContact OE2-CE2 3.33Å; E31-Y49 PolarHBondContact OE2-OH 3.29Å; E32-Y49 WeakPolarHBondContact O-CE1 3.49Å; M33-Y49 HydrophobicContact SD-CD1 4.47Å; G35-Y49 WeakPolarHBondContact CA-OH 3.42Å; Y49-S51 WeakPolarHBondContact CE2-OG 3.1Å; Y49-W130 HydrophobicContact CD1-CZ2 4.4Å; Y49-W130 HydrophobicContact CG-CH2 4.2Å; Y49-W130 HydrophobicContact CG-CZ2 4.24Å; Y49-R166 HydrophobicContact CD2-CB 3.84Å; Y49-R166 HydrophobicContact CD2-CG 3.79Å; Y49-R166 HydrophobicContact CE2-CB 4.21Å; Y49-R166 HydrophobicContact CE2-CG 3.66Å |
| 50 | F | 97.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.4 | 173.8 | -56.5 | -87.9 | 0 | 0 | 0 | 110 | G11 Q14 M15 W18 W28 Q29 V30 K59 R166 V167 | G11-F50 VanDerWaalsContact N-CZ 3.3Å; Q14-F50 VanDerWaalsContact O-CE1 3.29Å; Q14-F50 WeakPolarHBondContact O-CE1 3.34Å; M15-F50 HydrophobicContact CE-CD1 4.2Å; M15-F50 HydrophobicContact CE-CE1 4.41Å; M15-F50 HydrophobicContact SD-CD1 3.45Å; M15-F50 WeakPolarHBondContact SD-CD1 3.21Å; M15-F50 HydrophobicContact SD-CE1 3.55Å; M15-F50 VanDerWaalsContact SD-CE1 3.55Å; W18-F50 AromaticContact NE1-CZ 3.89Å; W28-F50 HydrophobicContact CE3-CB 3.83Å; W28-F50 HydrophobicContact CZ3-CB 3.64Å; Q29-F50 CarbonylContact O-C 3.59Å; Q29-F50 WeakPolarHBondContact O-CA 3.35Å; V30-F50 HydrophobicContact CG2-CD1 3.62Å; V30-F50 HydrophobicContact CG2-CE1 3.75Å; F50-K59 HydrophobicContact CD1-CD 4.5Å; F50-R166 CarbonylContact O-C 3.58Å; F50-R166 WeakPolarHBondContact O-CA 3.25Å; F50-V167 HydrophobicContact CB-CG2 3.85Å; F50-V167 HydrophobicContact CD2-CG2 4.34Å; F50-V167 WeakPolarHBondContact CD2-O 3.37Å; F50-V167 PolarHBondContact N-O 2.8Å; F50-V167 PolarHBondContact O-N 2.85Å |
| 51 | S | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.4 | 175.1 | -79.5 | 0 | 0 | 0 | 0 | 111.5 | Q29 E31 Y49 | Q29-S51 PolarHBondContact N-O 2.99Å; Q29-S51 VanDerWaalsContact N-O 3.09Å; Q29-S51 PolarHBondContact O-N 2.83Å; E31-S51 PolarHBondContact OE2-OG 3.02Å; Y49-S51 WeakPolarHBondContact CE2-OG 3.1Å |
| 52 | T | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -91.4 | 164.8 | 169.5 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | W28 C57 G153 W162 G164 V165 | W28-T52 HydrophobicContact CD2-CG2 4.26Å; W28-T52 HydrophobicContact CE3-CG2 3.81Å; W28-T52 HydrophobicContact CH2-CG2 3.24Å; W28-T52 HydrophobicContact CZ2-CG2 3.72Å; W28-T52 HydrophobicContact CZ3-CG2 3.28Å; T52-C57 HydrophobicContact CG2-CB 3.61Å; T52-G153 VanDerWaalsContact CB-O 3.31Å; T52-G153 WeakPolarHBondContact CB-O 3.48Å; T52-G153 WeakPolarHBondContact CG2-O 3.26Å; T52-G153 PolarHBondContact OG1-O 3.31Å; T52-W162 WeakPolarHBondContact O-CA 3.12Å; T52-G164 WeakPolarHBondContact O-CA 3.47Å; T52-G164 PolarHBondContact O-N 3.41Å; T52-G164 WeakPolarHBondContact OG1-CA 3.46Å; T52-V165 HydrophobicContact CG2-CG1 3.85Å; T52-V165 PolarHBondContact N-O 3.07Å; T52-V165 PolarHBondContact OG1-N 3.31Å; T52-V165 PolarHBondContact OG1-O 3.26Å | ||
| 53 | S | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -100.4 | -158.1 | -179.7 | -165.1 | 0 | 0 | 0 | 0 | 112 | S26 Q154 D155 G161 | S26-S53 WeakPolarHBondContact CB-OG 3.46Å; S26-S53 PolarHBondContact N-OG 2.96Å; S53-Q154 CarbonylContact O-C 3.54Å; S53-Q154 WeakPolarHBondContact O-CA 3.43Å; S53-D155 PolarHBondContact O-N 2.78Å; S53-G161 WeakPolarHBondContact CA-O 3.28Å; S53-G161 WeakPolarHBondContact CB-O 3.47Å; S53-G161 PolarHBondContact OG-O 3.18Å | ||
| 54 | F | 94.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 36.3 Ų | 36.3 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -84.3 | -15.4 | -176.4 | 58.5 | -92.3 | 0 | 0 | 0 | 114.9 | D155 Y158 D160 | F54-D155 VanDerWaalsContact CA-CG 3.46Å; F54-D155 VanDerWaalsContact CB-OD2 3.24Å; F54-D155 WeakPolarHBondContact CB-OD2 3.3Å; F54-Y158 HydrophobicContact CD2-CD1 4.41Å; F54-D160 HydrophobicContact CE1-CB 4.38Å; F54-D160 WeakPolarHBondContact CE1-OD1 3.4Å |
| 55 | E | 96.1 | Very high | 94.8 | Very high | 96 Ų | 96 | 28.6 Ų | 28.6 | 45% | 0.449 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -110.2 | 163.4 | 167 | -65.2 | 177.8 | 154 | 0 | 0 | 109.8 | G25 C57 | G25-E55 PolarHBondContact N-OE2 2.86Å; E55-C57 PolarHBondContact O-N 2.96Å; E55-C57 PolarHBondContact O-SG 3.43Å |
| 56 | L | 97.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 28.1 Ų | 28.1 | 27% | 0.272 | 14% | 0.144 | S | C | . | . | trans | -53.4 | 123.4 | -176.5 | -173.2 | 61.4 | 0 | 0 | 0 | 111.8 | E22 G24 L58 | E22-L56 HydrophobicContact CB-CG 4.35Å; E22-L56 HydrophobicContact CG-CD2 4.24Å; E22-L56 HydrophobicContact CG-CG 4.45Å; G24-L56 PolarHBondContact N-O 3.03Å; L56-L58 HydrophobicContact CD1-CD1 4.42Å; L56-L58 HydrophobicContact CD1-CD2 4.05Å; L56-L58 HydrophobicContact CD1-CG 4.04Å; L56-L58 HydrophobicContact CD2-CD1 4.02Å; L56-L58 HydrophobicContact CD2-CG 4.37Å; L56-L58 HydrophobicContact CG-CD1 4.22Å; L56-L58 HydrophobicContact CG-CG 4.02Å | ||
| 57 | C | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.7 | 172.2 | -61.7 | 0 | 0 | 0 | 0 | 108 | E22 G24 W28 T52 E55 G152 G153 | E22-C57 CarbonylContact O-C 3.51Å; E22-C57 WeakPolarHBondContact O-CA 3.25Å; G24-C57 PolarHBondContact O-SG 3.19Å; G24-C57 VanDerWaalsContact O-SG 3.41Å; W28-C57 HydrophobicContact CD2-CB 4.09Å; W28-C57 HydrophobicContact CG-CB 4.35Å; W28-C57 HydrophobicContact CZ2-CB 3.95Å; W28-C57 WeakPolarHBondContact CZ2-O 3.31Å; T52-C57 HydrophobicContact CG2-CB 3.61Å; E55-C57 PolarHBondContact O-N 2.96Å; E55-C57 PolarHBondContact O-SG 3.43Å; C57-G152 CarbonylContact O-C 3.54Å; C57-G152 WeakPolarHBondContact O-CA 3.39Å; C57-G153 PolarHBondContact N-O 2.83Å; C57-G153 PolarHBondContact O-N 3.47Å |
| 58 | L | 98.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 139.5 | 178.3 | -62.3 | 175.8 | 0 | 0 | 0 | 109.9 | T21 E22 L56 Q98 E150 | T21-L58 PolarHBondContact N-O 3.41Å; T21-L58 VanDerWaalsContact N-O 3.07Å; T21-L58 VanDerWaalsContact OG1-CB 3.26Å; T21-L58 WeakPolarHBondContact OG1-CB 3.26Å; T21-L58 PolarHBondContact OG1-O 3.37Å; E22-L58 HydrophobicContact CB-CB 3.92Å; E22-L58 HydrophobicContact CB-CD1 4.36Å; E22-L58 HydrophobicContact CB-CG 4.1Å; E22-L58 HydrophobicContact CG-CB 4.29Å; E22-L58 HydrophobicContact CG-CD1 3.94Å; E22-L58 HydrophobicContact CG-CG 4.24Å; E22-L58 PolarHBondContact N-O 3.03Å; E22-L58 PolarHBondContact O-N 2.91Å; L56-L58 HydrophobicContact CD1-CD1 4.42Å; L56-L58 HydrophobicContact CD1-CD2 4.05Å; L56-L58 HydrophobicContact CD1-CG 4.04Å; L56-L58 HydrophobicContact CD2-CD1 4.02Å; L56-L58 HydrophobicContact CD2-CG 4.37Å; L56-L58 HydrophobicContact CG-CD1 4.22Å; L56-L58 HydrophobicContact CG-CG 4.02Å; L58-Q98 HydrophobicContact CD2-CG 3.8Å; L58-E150 HydrophobicContact CB-CG 4.45Å |
| 59 | K | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 143.1 | 173.6 | 69.3 | -175.9 | -177.9 | 70.1 | 0 | 110.7 | M15 W18 E19 L20 W28 F50 E150 H151 | M15-K59 HydrophobicContact CE-CD 3.72Å; W18-K59 HydrophobicContact CB-CB 4.28Å; W18-K59 HydrophobicContact CB-CD 4.24Å; W18-K59 HydrophobicContact CD2-CD 3.97Å; W18-K59 HydrophobicContact CD2-CG 4.16Å; W18-K59 VanDerWaalsContact CD2-NZ 3.26Å; W18-K59 HydrophobicContact CE3-CB 4.16Å; W18-K59 HydrophobicContact CE3-CD 4.06Å; W18-K59 HydrophobicContact CE3-CG 3.72Å; W18-K59 HydrophobicContact CG-CD 4.02Å; W18-K59 HydrophobicContact CZ3-CG 4.24Å; E19-K59 CarbonylContact O-C 3.58Å; E19-K59 VanDerWaalsContact O-CA 3.26Å; E19-K59 WeakPolarHBondContact O-CA 3.46Å; L20-K59 HydrophobicContact CD2-CB 3.94Å; W28-K59 HydrophobicContact CD2-CD 4.46Å; W28-K59 HydrophobicContact CH2-CD 4.2Å; W28-K59 HydrophobicContact CH2-CG 4.26Å; W28-K59 HydrophobicContact CZ2-CB 4.17Å; W28-K59 HydrophobicContact CZ2-CD 4.08Å; W28-K59 HydrophobicContact CZ2-CG 3.87Å; W28-K59 HydrophobicContact CZ3-CD 4.47Å; F50-K59 HydrophobicContact CD1-CD 4.5Å; K59-E150 WeakPolarHBondContact O-CA 3.14Å; K59-H151 WeakPolarHBondContact CE-NE2 3.43Å; K59-H151 PolarHBondContact N-O 2.84Å; K59-H151 PolarHBondContact NZ-NE2 3.42Å; K59-H151 PolarHBondContact O-N 3.47Å; K59-H151 VanDerWaalsContact O-N 3.08Å |
| 60 | R | 98.2 | Very high | 96.3 | Very high | 77 Ų | 77 | 31.9 Ų | 31.9 | 29% | 0.291 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.5 | -173.1 | -175 | 172.3 | 67.5 | 179.8 | 0.6 | 111.4 | E19 T21 V62 F149 E150 | E19-R60 VanDerWaalsContact CD-NH2 3.25Å; E19-R60 PolarHBondContact N-O 3.06Å; E19-R60 PolarHBondContact O-N 3.1Å; E19-R60 IonicContact OE1-NH2 3.71Å; E19-R60 PolarHBondContact OE1-NH2 3.12Å; E19-R60 IonicContact OE2-CZ 3.7Å; E19-R60 VanDerWaalsContact OE2-CZ 3.25Å; E19-R60 IonicContact OE2-NE 3.71Å; E19-R60 PolarHBondContact OE2-NE 3.01Å; E19-R60 IonicContact OE2-NH2 3.78Å; E19-R60 PolarHBondContact OE2-NH2 3.17Å; T21-R60 HydrophobicContact CG2-CB 3.93Å; R60-V62 HydrophobicContact CG-CG2 4.4Å; R60-F149 CarbonylContact C-O 3.48Å; R60-F149 VanDerWaalsContact CA-O 3.25Å; R60-F149 WeakPolarHBondContact CA-O 3.5Å; R60-E150 HydrophobicContact CB-CB 4.08Å; R60-E150 HydrophobicContact CB-CG 4.12Å; R60-E150 HydrophobicContact CG-CB 4.06Å |
| 61 | Q | 98.3 | Very high | 96 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.9 | 166 | -162.7 | 173.2 | 135.6 | 0 | 0 | 109.1 | L6 K7 F17 W18 F149 | L6-Q61 HydrophobicContact CD2-CB 4.01Å; L6-Q61 HydrophobicContact CD2-CG 4.32Å; K7-Q61 PolarHBondContact O-NE2 3.23Å; F17-Q61 WeakPolarHBondContact O-CG 3.5Å; F17-Q61 PolarHBondContact O-NE2 3.36Å; W18-Q61 HydrophobicContact CD2-CB 4.45Å; W18-Q61 HydrophobicContact CE3-CB 3.87Å; W18-Q61 HydrophobicContact CH2-CB 4.3Å; W18-Q61 HydrophobicContact CZ3-CB 3.79Å; Q61-F149 PolarHBondContact N-O 3.38Å; Q61-F149 PolarHBondContact O-N 3.25Å |
| 62 | V | 98.1 | Very high | 95.6 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 44% | 0.442 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.6 | 175.7 | -176 | 0 | 0 | 0 | 0 | 108.2 | R60 F146 I147 | R60-V62 HydrophobicContact CG-CG2 4.4Å; V62-F146 HydrophobicContact CG1-CB 3.98Å; V62-F146 HydrophobicContact CG1-CD1 4.35Å; V62-F146 HydrophobicContact CG1-CG 4.43Å; V62-I147 CarbonylContact C-O 3.59Å; V62-I147 WeakPolarHBondContact CA-O 3.42Å |
| 63 | V | 97.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.4 | 179.4 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | L5 L6 L65 E68 F146 I147 | L5-V63 HydrophobicContact CB-CG1 3.83Å; L5-V63 HydrophobicContact CB-CG2 4.29Å; L5-V63 HydrophobicContact CD1-CG1 4.01Å; L6-V63 HydrophobicContact CD2-CG2 4.08Å; V63-L65 HydrophobicContact CG1-CD2 4.18Å; V63-E68 HydrophobicContact CG1-CG 3.88Å; V63-F146 CarbonylContact O-C 3.56Å; V63-F146 WeakPolarHBondContact O-CA 3.4Å; V63-I147 HydrophobicContact CB-CB 4.33Å; V63-I147 PolarHBondContact N-O 2.9Å; V63-I147 PolarHBondContact O-N 2.81Å |
| 64 | D | 96.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 108.2 | 168.2 | -179.4 | -16.2 | 0 | 0 | 0 | 109.6 | V66 A67 E68 R145 F146 | D64-V66 VanDerWaalsContact C-N 3.31Å; D64-V66 PolarHBondContact O-N 3.44Å; D64-V66 PolarHBondContact OD1-N 3.18Å; D64-A67 HydrophobicContact CB-CB 3.75Å; D64-A67 PolarHBondContact O-N 3.08Å; D64-A67 PolarHBondContact OD1-N 2.88Å; D64-A67 VanDerWaalsContact OD1-N 3.14Å; D64-E68 WeakPolarHBondContact O-CG 3.27Å; D64-E68 PolarHBondContact O-N 2.88Å; D64-R145 IonicContact OD1-CZ 3.71Å; D64-R145 VanDerWaalsContact OD1-CZ 3.27Å; D64-R145 IonicContact OD1-NE 3.53Å; D64-R145 PolarHBondContact OD1-NE 2.85Å; D64-R145 IonicContact OD1-NH2 3.57Å; D64-R145 PolarHBondContact OD1-NH2 3.04Å; D64-R145 IonicContact OD2-CZ 3.69Å; D64-R145 IonicContact OD2-NE 3.57Å; D64-R145 IonicContact OD2-NH2 2.69Å; D64-R145 PolarHBondContact OD2-NH2 2.85Å; D64-F146 HydrophobicContact CB-CD1 3.75Å; D64-F146 HydrophobicContact CB-CE1 3.7Å |
| 65 | L | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -35.8 | -175.1 | -64.5 | 174.5 | 0 | 0 | 0 | 112.4 | L5 V63 E68 G69 Y70 L75 L144 R145 I147 V174 | L5-L65 HydrophobicContact CD1-CD2 3.7Å; V63-L65 HydrophobicContact CG1-CD2 4.18Å; L65-E68 CarbonylContact O-C 3.18Å; L65-E68 PolarHBondContact O-N 2.88Å; L65-G69 PolarHBondContact O-N 3.22Å; L65-G69 VanDerWaalsContact O-N 3.15Å; L65-Y70 HydrophobicContact CB-CD2 4.08Å; L65-Y70 HydrophobicContact CB-CG 4.42Å; L65-Y70 HydrophobicContact CD2-CD2 3.98Å; L65-Y70 HydrophobicContact CD2-CE2 4.15Å; L65-Y70 WeakPolarHBondContact O-CB 3.42Å; L65-Y70 VanDerWaalsContact O-CD2 3.24Å; L65-Y70 WeakPolarHBondContact O-CD2 3.46Å; L65-Y70 PolarHBondContact O-N 3.04Å; L65-L75 HydrophobicContact CB-CD1 3.89Å; L65-L75 HydrophobicContact CB-CD2 4.17Å; L65-L75 HydrophobicContact CD1-CD1 4.32Å; L65-L75 HydrophobicContact CD1-CD2 3.69Å; L65-L75 HydrophobicContact CG-CD2 4.5Å; L65-L144 HydrophobicContact CD1-CD1 4.06Å; L65-L144 HydrophobicContact CD1-CD2 3.6Å; L65-L144 HydrophobicContact CD1-CG 3.52Å; L65-R145 WeakPolarHBondContact CB-O 3.24Å; L65-R145 PolarHBondContact N-O 2.8Å; L65-R145 VanDerWaalsContact N-O 3.1Å; L65-I147 HydrophobicContact CD1-CD1 4.22Å; L65-I147 HydrophobicContact CD1-CG1 4.24Å; L65-I147 HydrophobicContact CD2-CD1 3.81Å; L65-I147 HydrophobicContact CD2-CG1 4.35Å; L65-I147 HydrophobicContact CG-CD1 4.36Å; L65-I147 HydrophobicContact CG-CG1 4.43Å; L65-V174 HydrophobicContact CD2-CG2 3.89Å |
| 66 | V | 94 | Very high | 94.4 | Very high | 51 Ų | 51 | 45 Ų | 45 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -34.7 | 179.2 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | D64 E68 G69 L75 R145 | D64-V66 VanDerWaalsContact C-N 3.31Å; D64-V66 PolarHBondContact O-N 3.44Å; D64-V66 PolarHBondContact OD1-N 3.18Å; V66-E68 VanDerWaalsContact C-N 3.26Å; V66-E68 PolarHBondContact O-N 2.9Å; V66-G69 PolarHBondContact O-N 2.79Å; V66-G69 VanDerWaalsContact O-N 3.08Å; V66-L75 HydrophobicContact CG2-CD1 4.12Å; V66-R145 VanDerWaalsContact CB-NH1 3.31Å |
| 67 | A | 94.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D64 G69 | D64-A67 HydrophobicContact CB-CB 3.75Å; D64-A67 PolarHBondContact O-N 3.08Å; D64-A67 PolarHBondContact OD1-N 2.88Å; D64-A67 VanDerWaalsContact OD1-N 3.14Å; A67-G69 PolarHBondContact O-N 2.79Å |
| 68 | E | 94.2 | Very high | 93.8 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -6 | 172.8 | -69.8 | -61.2 | 141.5 | 0 | 0 | 113.4 | R3 L5 K7 V63 D64 L65 V66 Y70 | R3-E68 IonicContact CZ-OE2 2.83Å; R3-E68 PolarHBondContact NH2-O 2.58Å; R3-E68 IonicContact NH2-OE2 2.81Å; R3-E68 PolarHBondContact NH2-OE2 3.36Å; L5-E68 HydrophobicContact CD2-CB 4.41Å; L5-E68 HydrophobicContact CD2-CG 4.42Å; K7-E68 IonicContact NZ-OE1 3.47Å; V63-E68 HydrophobicContact CG1-CG 3.88Å; D64-E68 WeakPolarHBondContact O-CG 3.27Å; D64-E68 PolarHBondContact O-N 2.88Å; L65-E68 CarbonylContact O-C 3.18Å; L65-E68 PolarHBondContact O-N 2.88Å; V66-E68 VanDerWaalsContact C-N 3.26Å; V66-E68 PolarHBondContact O-N 2.9Å; E68-Y70 HydrophobicContact CB-CD2 4.11Å; E68-Y70 HydrophobicContact CB-CE2 4.19Å |
| 69 | G | 92.8 | Very high | 93.6 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.1 | 8.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L65 V66 A67 | L65-G69 PolarHBondContact O-N 3.22Å; L65-G69 VanDerWaalsContact O-N 3.15Å; V66-G69 PolarHBondContact O-N 2.79Å; V66-G69 VanDerWaalsContact O-N 3.08Å; A67-G69 PolarHBondContact O-N 2.79Å |
| 70 | Y | 92.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | trans | -74.4 | 125.3 | 174.6 | -67.2 | -84.8 | 0 | 0 | 0 | 110.5 | L5 L65 E68 L75 V174 T176 | L5-Y70 HydrophobicContact CD1-CE2 3.78Å; L5-Y70 HydrophobicContact CD2-CE2 3.91Å; L65-Y70 HydrophobicContact CB-CD2 4.08Å; L65-Y70 HydrophobicContact CB-CG 4.42Å; L65-Y70 HydrophobicContact CD2-CD2 3.98Å; L65-Y70 HydrophobicContact CD2-CE2 4.15Å; L65-Y70 WeakPolarHBondContact O-CB 3.42Å; L65-Y70 VanDerWaalsContact O-CD2 3.24Å; L65-Y70 WeakPolarHBondContact O-CD2 3.46Å; L65-Y70 PolarHBondContact O-N 3.04Å; E68-Y70 HydrophobicContact CB-CD2 4.11Å; E68-Y70 HydrophobicContact CB-CE2 4.19Å; Y70-L75 HydrophobicContact CG-CD2 4.28Å; Y70-V174 HydrophobicContact CD1-CG1 4.44Å; Y70-V174 HydrophobicContact CE1-CB 3.89Å; Y70-V174 HydrophobicContact CE1-CG1 3.94Å; Y70-T176 HydrophobicContact CD1-CG2 3.63Å; Y70-T176 HydrophobicContact CE1-CG2 3.65Å | ||
| 71 | A | 91.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | trans | -73.6 | 149.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | D73 D74 L75 | A71-D73 PolarHBondContact O-N 2.78Å; A71-D74 WeakPolarHBondContact CB-OD2 3.11Å; A71-D74 PolarHBondContact N-OD2 3.11Å; A71-D74 WeakPolarHBondContact O-CB 3.47Å; A71-D74 PolarHBondContact O-N 3.2Å; A71-L75 PolarHBondContact O-N 3.11Å; A71-L75 VanDerWaalsContact O-N 3.12Å | ||
| 72 | P | 88.2 | Confident | 93.3 | Very high | 92 Ų | 92 | 47.8 Ų | 47.8 | 60% | 0.597 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55 | -34.9 | 176 | -27.3 | 35.5 | 0 | 0 | 0 | 113.5 | L75 A76 | P72-L75 PolarHBondContact O-N 2.99Å; P72-A76 WeakPolarHBondContact O-CB 3.04Å; P72-A76 PolarHBondContact O-N 3.15Å |
| 73 | D | 89.1 | Confident | 93.3 | Very high | 136 Ų | 136 | 44.5 Ų | 44.5 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.8 | -36.2 | 177.1 | -65.7 | -48.9 | 0 | 0 | 0 | 112.3 | A71 A76 A77 | A71-D73 PolarHBondContact O-N 2.78Å; D73-A76 PolarHBondContact O-N 3.32Å; D73-A77 PolarHBondContact O-N 2.92Å |
| 74 | D | 90.2 | Very high | 93.3 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 176.5 | -59 | -37.4 | 0 | 0 | 0 | 110.3 | A71 A76 A77 P79 T176 | A71-D74 WeakPolarHBondContact CB-OD2 3.11Å; A71-D74 PolarHBondContact N-OD2 3.11Å; A71-D74 WeakPolarHBondContact O-CB 3.47Å; A71-D74 PolarHBondContact O-N 3.2Å; D74-A76 VanDerWaalsContact C-N 3.31Å; D74-A76 PolarHBondContact O-N 2.87Å; D74-A77 VanDerWaalsContact O-CB 3.31Å; D74-A77 WeakPolarHBondContact O-CB 3.27Å; D74-A77 PolarHBondContact O-N 3.35Å; D74-P79 WeakPolarHBondContact O-CD 3.44Å; D74-T176 HydrophobicContact CB-CG2 4.1Å |
| 75 | L | 90.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68 | -31.7 | 177 | -60.6 | 176.6 | 0 | 0 | 0 | 112 | L65 V66 Y70 A71 P72 A77 K78 P79 L144 | L65-L75 HydrophobicContact CB-CD1 3.89Å; L65-L75 HydrophobicContact CB-CD2 4.17Å; L65-L75 HydrophobicContact CD1-CD1 4.32Å; L65-L75 HydrophobicContact CD1-CD2 3.69Å; L65-L75 HydrophobicContact CG-CD2 4.5Å; V66-L75 HydrophobicContact CG2-CD1 4.12Å; Y70-L75 HydrophobicContact CG-CD2 4.28Å; A71-L75 PolarHBondContact O-N 3.11Å; A71-L75 VanDerWaalsContact O-N 3.12Å; P72-L75 PolarHBondContact O-N 2.99Å; L75-A77 PolarHBondContact O-N 2.87Å; L75-K78 PolarHBondContact O-N 3.09Å; L75-P79 HydrophobicContact CD2-CG 4.46Å; L75-L144 WeakPolarHBondContact CD1-O 3.44Å; L75-L144 HydrophobicContact CD2-CD2 4.43Å |
| 76 | A | 88.8 | Confident | 93.4 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.3 | -22.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | P72 D73 D74 K78 | P72-A76 WeakPolarHBondContact O-CB 3.04Å; P72-A76 PolarHBondContact O-N 3.15Å; D73-A76 PolarHBondContact O-N 3.32Å; D74-A76 VanDerWaalsContact C-N 3.31Å; D74-A76 PolarHBondContact O-N 2.87Å; A76-K78 PolarHBondContact O-N 2.77Å |
| 77 | A | 90.1 | Very high | 93.5 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 63% | 0.628 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | D73 D74 L75 | D73-A77 PolarHBondContact O-N 2.92Å; D74-A77 VanDerWaalsContact O-CB 3.31Å; D74-A77 WeakPolarHBondContact O-CB 3.27Å; D74-A77 PolarHBondContact O-N 3.35Å; L75-A77 PolarHBondContact O-N 2.87Å |
| 78 | K | 92.4 | Very high | 93.6 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | trans | 56.8 | 60 | -177 | -55.1 | 167 | -72.8 | 154.5 | 0 | 111.3 | L75 A76 Y140 | L75-K78 PolarHBondContact O-N 3.09Å; A76-K78 PolarHBondContact O-N 2.77Å; K78-Y140 WeakPolarHBondContact CA-OH 3.21Å; K78-Y140 HydrophobicContact CB-CE2 4.13Å; K78-Y140 HydrophobicContact CG-CE2 4.35Å | ||
| 79 | P | 93.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.071 | 25% | 0.248 | C | C | . | . | trans | -57.9 | 149.6 | 179.5 | 26.6 | -35.6 | 0 | 0 | 0 | 111 | D74 L75 V81 Y140 V174 E175 T176 | D74-P79 WeakPolarHBondContact O-CD 3.44Å; L75-P79 HydrophobicContact CD2-CG 4.46Å; P79-V81 PolarHBondContact O-N 2.97Å; P79-Y140 VanDerWaalsContact CD-OH 3.23Å; P79-Y140 WeakPolarHBondContact CD-OH 3.43Å; P79-Y140 VanDerWaalsContact N-OH 3.16Å; P79-Y140 VanDerWaalsContact O-CE1 3.28Å; P79-Y140 WeakPolarHBondContact O-CE1 3.47Å; P79-Y140 PolarHBondContact O-OH 2.83Å; P79-V174 HydrophobicContact CB-CG1 3.77Å; P79-V174 HydrophobicContact CG-CG1 3.49Å; P79-V174 VanDerWaalsContact CG-CG1 3.49Å; P79-E175 WeakPolarHBondContact CB-O 3.35Å; P79-T176 HydrophobicContact CB-CG2 3.88Å; P79-T176 HydrophobicContact CG-CG2 3.95Å | ||
| 80 | A | 95.6 | Very high | 93.6 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 133.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | T136 E175 | A80-T136 HydrophobicContact CB-CG2 3.94Å; A80-E175 HydrophobicContact CB-CB 4.28Å; A80-E175 PolarHBondContact O-N 3.04Å |
| 81 | V | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 107.7 | 175.5 | -177.5 | 0 | 0 | 0 | 0 | 108 | P79 V83 L103 T136 F137 Y140 L144 I147 V172 I173 V174 | P79-V81 PolarHBondContact O-N 2.97Å; V81-V83 HydrophobicContact CG1-CG1 4.32Å; V81-L103 HydrophobicContact CB-CD2 4.42Å; V81-L103 HydrophobicContact CG1-CD2 4.17Å; V81-L103 HydrophobicContact CG2-CD2 4.41Å; V81-T136 CarbonylContact O-C 3.51Å; V81-T136 WeakPolarHBondContact O-CA 3.15Å; V81-F137 HydrophobicContact CB-CB 4.23Å; V81-F137 HydrophobicContact CB-CD2 4.25Å; V81-F137 HydrophobicContact CG1-CD2 4.31Å; V81-F137 PolarHBondContact N-O 2.74Å; V81-F137 PolarHBondContact O-N 2.87Å; V81-Y140 HydrophobicContact CG2-CE1 4.09Å; V81-L144 HydrophobicContact CG2-CD2 3.99Å; V81-I147 HydrophobicContact CG1-CD1 3.63Å; V81-I147 HydrophobicContact CG2-CD1 4.46Å; V81-V172 HydrophobicContact CG1-CG1 4.24Å; V81-I173 CarbonylContact C-O 3.59Å; V81-I173 WeakPolarHBondContact CA-O 3.49Å; V81-V174 HydrophobicContact CG1-CG2 4.38Å; V81-V174 HydrophobicContact CG2-CG1 4.46Å; V81-V174 HydrophobicContact CG2-CG2 4.19Å |
| 82 | S | 97.3 | Very high | 93.4 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.4 | 176.9 | -70.4 | 0 | 0 | 0 | 0 | 110.5 | H135 T136 V172 I173 | S82-H135 WeakPolarHBondContact CA-O 3.42Å; S82-T136 PolarHBondContact OG-OG1 3.21Å; S82-V172 WeakPolarHBondContact O-CA 3.28Å; S82-I173 PolarHBondContact N-O 3.24Å; S82-I173 PolarHBondContact O-N 2.93Å |
| 83 | V | 97.5 | Very high | 93.6 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.7 | 175.1 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | V81 V101 N134 H135 F137 S171 V172 | V81-V83 HydrophobicContact CG1-CG1 4.32Å; V83-V101 HydrophobicContact CG1-CG1 4.03Å; V83-V101 HydrophobicContact CG2-CG1 4.45Å; V83-V101 HydrophobicContact CG2-CG2 4.25Å; V83-N134 CarbonylContact O-C 3.52Å; V83-N134 WeakPolarHBondContact O-CA 3.34Å; V83-H135 HydrophobicContact CG2-CB 3.9Å; V83-H135 PolarHBondContact N-O 2.55Å; V83-H135 PolarHBondContact O-N 2.89Å; V83-F137 HydrophobicContact CG1-CE2 4.17Å; V83-F137 HydrophobicContact CG2-CE2 4.15Å; V83-S171 VanDerWaalsContact CA-O 3.28Å; V83-S171 WeakPolarHBondContact CA-O 3.49Å; V83-V172 HydrophobicContact CB-CG2 4.5Å; V83-V172 HydrophobicContact CG1-CB 4.41Å; V83-V172 HydrophobicContact CG1-CG1 4.29Å; V83-V172 HydrophobicContact CG1-CG2 3.84Å |
| 84 | A | 97.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 148.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V133 N134 S170 S171 | A84-V133 CarbonylContact C-O 3.54Å; A84-V133 VanDerWaalsContact CA-O 3.25Å; A84-V133 WeakPolarHBondContact CA-O 3.47Å; A84-N134 HydrophobicContact CB-CB 4.1Å; A84-S170 CarbonylContact O-C 3.46Å; A84-S170 WeakPolarHBondContact O-CA 3.48Å; A84-S171 PolarHBondContact N-O 2.92Å; A84-S171 PolarHBondContact O-N 2.95Å |
| 85 | D | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 152.5 | 173.4 | -161.2 | 35.6 | 0 | 0 | 0 | 110.2 | Y97 Q132 V133 F149 H151 S170 | D85-Y97 PolarHBondContact OD2-OH 2.99Å; D85-Q132 WeakPolarHBondContact O-CA 3.31Å; D85-V133 HydrophobicContact CB-CG1 3.8Å; D85-V133 PolarHBondContact N-O 3.31Å; D85-V133 PolarHBondContact O-N 2.9Å; D85-F149 HydrophobicContact CB-CZ 3.95Å; D85-H151 IonicContact OD1-CE1 2.86Å; D85-H151 IonicContact OD1-ND1 3.27Å; D85-H151 IonicContact OD2-CE1 3.75Å; D85-H151 IonicContact OD2-CG 3.01Å; D85-H151 IonicContact OD2-ND1 2.96Å; D85-H151 PolarHBondContact OD2-ND1 3.13Å; D85-S170 WeakPolarHBondContact OD1-CA 3.1Å; D85-S170 VanDerWaalsContact OD1-CB 3.27Å; D85-S170 WeakPolarHBondContact OD1-CB 3.36Å; D85-S170 PolarHBondContact OD1-OG 3.32Å |
| 86 | W | 96.8 | Very high | 94.3 | Very high | 70 Ų | 70 | 26.9 Ų | 26.9 | 27% | 0.265 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.5 | 174.4 | -65.2 | 83.3 | 0 | 0 | 0 | 110.6 | F41 W130 K131 Q132 V167 T168 | F41-W86 HydrophobicContact CE2-CB 3.6Å; F41-W86 AromaticContact CE2-CD1 3.99Å; F41-W86 AromaticContact CE2-CD2 3.45Å; F41-W86 HydrophobicContact CE2-CD2 3.45Å; F41-W86 VanDerWaalsContact CE2-CD2 3.45Å; F41-W86 AromaticContact CE2-CE3 3.73Å; F41-W86 HydrophobicContact CE2-CE3 3.73Å; F41-W86 AromaticContact CE2-CG 3.42Å; F41-W86 HydrophobicContact CE2-CG 3.42Å; F41-W86 VanDerWaalsContact CE2-CG 3.42Å; F41-W86 HydrophobicContact CE2-CZ3 4.49Å; F41-W86 HydrophobicContact CZ-CB 4.24Å; F41-W86 AromaticContact CZ-CD1 3.73Å; F41-W86 AromaticContact CZ-CD2 3.63Å; F41-W86 HydrophobicContact CZ-CD2 3.63Å; F41-W86 AromaticContact CZ-CE2 3.72Å; F41-W86 HydrophobicContact CZ-CE3 4.21Å; F41-W86 AromaticContact CZ-CG 3.64Å; F41-W86 HydrophobicContact CZ-CG 3.64Å; F41-W86 HydrophobicContact CZ-CZ2 4.36Å; F41-W86 AromaticContact CZ-NE1 3.76Å; W86-W130 HydrophobicContact CB-CE3 4.06Å; W86-W130 HydrophobicContact CB-CZ3 4.38Å; W86-W130 HydrophobicContact CE3-CB 4.19Å; W86-K131 WeakPolarHBondContact CA-O 3.41Å; W86-Q132 HydrophobicContact CD2-CB 3.82Å; W86-Q132 HydrophobicContact CD2-CG 3.95Å; W86-Q132 HydrophobicContact CE3-CB 3.79Å; W86-Q132 HydrophobicContact CE3-CG 4.44Å; W86-Q132 HydrophobicContact CG-CG 4.41Å; W86-Q132 HydrophobicContact CH2-CB 3.83Å; W86-Q132 HydrophobicContact CH2-CG 4.38Å; W86-Q132 HydrophobicContact CZ2-CB 3.84Å; W86-Q132 HydrophobicContact CZ2-CG 3.87Å; W86-Q132 HydrophobicContact CZ3-CB 3.8Å; W86-V167 VanDerWaalsContact O-CA 3.24Å; W86-V167 WeakPolarHBondContact O-CA 3.37Å; W86-T168 WeakPolarHBondContact CB-O 3.48Å; W86-T168 PolarHBondContact N-O 2.97Å; W86-T168 PolarHBondContact O-N 3.22Å |
| 87 | Y | 96.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 24.2 Ų | 24.2 | 9% | 0.09 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 150.8 | 177.6 | 66.9 | -83 | 0 | 0 | 0 | 111.3 | Y97 V119 L121 W130 K131 V133 R166 | Y87-Y97 AromaticContact CD1-CD1 3.73Å; Y87-Y97 HydrophobicContact CD1-CD1 3.73Å; Y87-Y97 AromaticContact CD1-CE1 3.52Å; Y87-Y97 HydrophobicContact CD1-CE1 3.52Å; Y87-Y97 HydrophobicContact CD1-CE2 4.34Å; Y87-Y97 HydrophobicContact CD1-CG 4.22Å; Y87-Y97 AromaticContact CD1-CZ 3.83Å; Y87-Y97 AromaticContact CD2-CD1 3.97Å; Y87-Y97 HydrophobicContact CD2-CD1 3.97Å; Y87-Y97 AromaticContact CD2-CG 3.91Å; Y87-Y97 HydrophobicContact CD2-CG 3.91Å; Y87-Y97 AromaticContact CE1-CD1 3.96Å; Y87-Y97 HydrophobicContact CE1-CD1 3.96Å; Y87-Y97 AromaticContact CE1-CE1 3.83Å; Y87-Y97 HydrophobicContact CE1-CE1 3.83Å; Y87-Y97 HydrophobicContact CE2-CD1 4.18Å; Y87-Y97 HydrophobicContact CE2-CG 4.48Å; Y87-Y97 AromaticContact CG-CD1 3.75Å; Y87-Y97 HydrophobicContact CG-CD1 3.75Å; Y87-Y97 HydrophobicContact CG-CD2 4.03Å; Y87-Y97 AromaticContact CG-CE1 3.95Å; Y87-Y97 HydrophobicContact CG-CE1 3.95Å; Y87-Y97 HydrophobicContact CG-CE2 4.21Å; Y87-Y97 AromaticContact CG-CG 3.77Å; Y87-Y97 HydrophobicContact CG-CG 3.77Å; Y87-V119 HydrophobicContact CE2-CB 4.36Å; Y87-V119 HydrophobicContact CE2-CG1 4.03Å; Y87-L121 HydrophobicContact CD2-CD1 4.06Å; Y87-L121 HydrophobicContact CE2-CD1 4.22Å; Y87-L121 HydrophobicContact CE2-CD2 4.4Å; Y87-W130 WeakPolarHBondContact O-CA 3.44Å; Y87-K131 WeakPolarHBondContact CD1-O 3.35Å; Y87-K131 HydrophobicContact CE1-CB 3.99Å; Y87-K131 HydrophobicContact CE2-CB 4.09Å; Y87-K131 HydrophobicContact CE2-CD 4.38Å; Y87-K131 PolarHBondContact N-O 2.78Å; Y87-K131 PolarHBondContact O-N 3.01Å; Y87-V133 HydrophobicContact CD1-CG1 4.38Å; Y87-V133 HydrophobicContact CE1-CB 4.27Å; Y87-V133 HydrophobicContact CE1-CG1 4.37Å; Y87-R166 CarbonylContact C-O 3.56Å; Y87-R166 WeakPolarHBondContact CA-O 3.04Å |
| 88 | S | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 169.4 | 172.6 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | W130 V165 R166 | S88-W130 VanDerWaalsContact OG-CE2 3.25Å; S88-W130 WeakPolarHBondContact OG-CH2 3.26Å; S88-W130 VanDerWaalsContact OG-CZ2 3.31Å; S88-W130 WeakPolarHBondContact OG-CZ2 3.21Å; S88-W130 WeakPolarHBondContact OG-CZ3 3.34Å; S88-V165 WeakPolarHBondContact O-CG2 3.49Å; S88-R166 PolarHBondContact N-O 2.81Å; S88-R166 PolarHBondContact O-N 3.49Å; S88-R166 WeakPolarHBondContact OG-CB 3.43Å |
| 89 | G | 93.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -119.1 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C128 | G89-C128 PolarHBondContact N-O 2.87Š| ||
| 90 | R | 92.1 | Very high | 95.6 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | trans | -88.6 | 156.7 | 166.6 | -64.9 | 173.1 | 64 | 118.1 | 4.9 | 110.3 | C37 D92 C93 C128 R166 | C37-R90 HydrophobicContact CB-CB 4.43Å; C37-R90 WeakPolarHBondContact O-CA 3.35Å; R90-D92 VanDerWaalsContact C-N 3.29Å; R90-D92 WeakPolarHBondContact CB-OD1 3.28Å; R90-D92 IonicContact CZ-OD1 3.64Å; R90-D92 IonicContact CZ-OD2 3.06Å; R90-D92 IonicContact NE-OD1 2.68Å; R90-D92 PolarHBondContact NE-OD1 2.99Å; R90-D92 IonicContact NE-OD2 3.65Å; R90-D92 PolarHBondContact NE-OD2 3.47Å; R90-D92 IonicContact NH2-OD1 2.91Å; R90-D92 IonicContact NH2-OD2 3.25Å; R90-D92 PolarHBondContact NH2-OD2 3.41Å; R90-C93 VanDerWaalsContact O-O 3.06Å; R90-C128 PolarHBondContact O-SG 2.66Å; R90-C128 VanDerWaalsContact O-SG 3.4Å; R90-R166 VanDerWaalsContact CG-CZ 3.43Å | ||
| 91 | T | 90.6 | Very high | 95.8 | Very high | 65 Ų | 65 | 19 Ų | 19 | 40% | 0.399 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -82.7 | -2.5 | 175.1 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | C37 Y39 P123 C128 | C37-T91 PolarHBondContact O-N 3.07Å; C37-T91 PolarHBondContact O-OG1 2.78Å; Y39-T91 HydrophobicContact CE2-CG2 3.63Å; T91-P123 VanDerWaalsContact O-CB 3.28Å; T91-P123 WeakPolarHBondContact O-CB 3.47Å; T91-C128 HydrophobicContact CG2-CB 4.46Å |
| 92 | D | 90.7 | Very high | 95.8 | Very high | 50 Ų | 50 | 19.6 Ų | 19.6 | 27% | 0.267 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -110.5 | -17.1 | 179.3 | 58.4 | 1.6 | 0 | 0 | 0 | 113.7 | C37 R90 K157 | C37-D92 PolarHBondContact SG-OD2 2.86Å; R90-D92 VanDerWaalsContact C-N 3.29Å; R90-D92 WeakPolarHBondContact CB-OD1 3.28Å; R90-D92 IonicContact CZ-OD1 3.64Å; R90-D92 IonicContact CZ-OD2 3.06Å; R90-D92 IonicContact NE-OD1 2.68Å; R90-D92 PolarHBondContact NE-OD1 2.99Å; R90-D92 IonicContact NE-OD2 3.65Å; R90-D92 PolarHBondContact NE-OD2 3.47Å; R90-D92 IonicContact NH2-OD1 2.91Å; R90-D92 IonicContact NH2-OD2 3.25Å; R90-D92 PolarHBondContact NH2-OD2 3.41Å; D92-K157 PolarHBondContact O-NZ 3.24Å |
| 93 | C | 91.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -141.8 | 138.1 | -179.9 | -171 | 0 | 0 | 0 | 0 | 111.7 | R90 K157 W159 F163 | R90-C93 VanDerWaalsContact O-O 3.06Å; C93-K157 HydrophobicContact CB-CD 4.39Å; C93-W159 HydrophobicContact CB-CE3 4.22Å; C93-W159 HydrophobicContact CB-CZ3 4.25Å; C93-F163 HydrophobicContact CB-CB 3.96Å; C93-F163 HydrophobicContact CB-CD1 4Å; C93-F163 HydrophobicContact CB-CG 4.39Å |
| 94 | G | 93.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | trans | -77.3 | 158.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L121 P123 T156 | G94-L121 CarbonylContact C-O 3.6Å; G94-L121 WeakPolarHBondContact CA-O 3.46Å; G94-P123 VanDerWaalsContact CA-CD 3.47Å; G94-T156 WeakPolarHBondContact CA-OG1 3.47Å; G94-T156 PolarHBondContact O-N 2.86Å; G94-T156 PolarHBondContact O-OG1 3.28Å; G94-T156 VanDerWaalsContact O-OG1 3.11Å | ||
| 95 | C | 95.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 161.3 | 180 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | T120 L121 Q154 V165 | C95-T120 WeakPolarHBondContact O-CA 3.46Å; C95-L121 PolarHBondContact N-O 2.64Å; C95-L121 PolarHBondContact O-N 2.69Å; C95-Q154 CarbonylContact C-O 3.55Å; C95-Q154 VanDerWaalsContact CA-O 3.29Å; C95-Q154 WeakPolarHBondContact CA-O 3.21Å; C95-Q154 WeakPolarHBondContact CB-O 3.29Å; C95-V165 HydrophobicContact CB-CB 4.29Å |
| 96 | T | 97.3 | Very high | 95.7 | Very high | 35 Ų | 35 | 26.9 Ų | 26.9 | 22% | 0.215 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.9 | 171.5 | 61.8 | 0 | 0 | 0 | 0 | 110.3 | V119 T120 G153 Q154 T156 V165 | T96-V119 CarbonylContact C-O 3.44Å; T96-V119 VanDerWaalsContact CA-O 3.29Å; T96-V119 WeakPolarHBondContact CA-O 3.29Å; T96-T120 HydrophobicContact CG2-CG2 4.42Å; T96-G153 VanDerWaalsContact O-CA 3.31Å; T96-G153 WeakPolarHBondContact O-CA 3.32Å; T96-Q154 PolarHBondContact N-O 3.05Å; T96-Q154 PolarHBondContact O-N 2.73Å; T96-Q154 WeakPolarHBondContact OG1-CG 3.3Å; T96-Q154 PolarHBondContact OG1-O 2.95Å; T96-T156 HydrophobicContact CG2-CG2 3.96Å; T96-V165 WeakPolarHBondContact O-CB 3.31Å; T96-V165 WeakPolarHBondContact O-CG1 3.4Å |
| 97 | Y | 97.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.6 | 176.5 | 171.7 | -109.8 | 0 | 0 | 0 | 109.9 | D85 Y87 L99 S118 V119 V133 H151 G152 V165 V167 | D85-Y97 PolarHBondContact OD2-OH 2.99Å; Y87-Y97 AromaticContact CD1-CD1 3.73Å; Y87-Y97 HydrophobicContact CD1-CD1 3.73Å; Y87-Y97 AromaticContact CD1-CE1 3.52Å; Y87-Y97 HydrophobicContact CD1-CE1 3.52Å; Y87-Y97 HydrophobicContact CD1-CE2 4.34Å; Y87-Y97 HydrophobicContact CD1-CG 4.22Å; Y87-Y97 AromaticContact CD1-CZ 3.83Å; Y87-Y97 AromaticContact CD2-CD1 3.97Å; Y87-Y97 HydrophobicContact CD2-CD1 3.97Å; Y87-Y97 AromaticContact CD2-CG 3.91Å; Y87-Y97 HydrophobicContact CD2-CG 3.91Å; Y87-Y97 AromaticContact CE1-CD1 3.96Å; Y87-Y97 HydrophobicContact CE1-CD1 3.96Å; Y87-Y97 AromaticContact CE1-CE1 3.83Å; Y87-Y97 HydrophobicContact CE1-CE1 3.83Å; Y87-Y97 HydrophobicContact CE2-CD1 4.18Å; Y87-Y97 HydrophobicContact CE2-CG 4.48Å; Y87-Y97 AromaticContact CG-CD1 3.75Å; Y87-Y97 HydrophobicContact CG-CD1 3.75Å; Y87-Y97 HydrophobicContact CG-CD2 4.03Å; Y87-Y97 AromaticContact CG-CE1 3.95Å; Y87-Y97 HydrophobicContact CG-CE1 3.95Å; Y87-Y97 HydrophobicContact CG-CE2 4.21Å; Y87-Y97 AromaticContact CG-CG 3.77Å; Y87-Y97 HydrophobicContact CG-CG 3.77Å; Y97-L99 HydrophobicContact CE1-CB 4.13Å; Y97-L99 WeakPolarHBondContact OH-CB 3.33Å; Y97-S118 CarbonylContact O-C 3.59Å; Y97-S118 VanDerWaalsContact O-CA 3.3Å; Y97-S118 WeakPolarHBondContact O-CA 3.31Å; Y97-V119 HydrophobicContact CD1-CB 4.44Å; Y97-V119 HydrophobicContact CD1-CG2 4.43Å; Y97-V119 PolarHBondContact N-O 2.95Å; Y97-V119 PolarHBondContact O-N 2.81Å; Y97-V133 HydrophobicContact CE1-CG1 4.07Å; Y97-V133 WeakPolarHBondContact OH-CG1 3.49Å; Y97-H151 HydrophobicContact CE2-CB 4.32Å; Y97-G152 WeakPolarHBondContact CA-O 3.29Å; Y97-V165 HydrophobicContact CD2-CG2 3.97Å; Y97-V165 HydrophobicContact CG-CG2 4.32Å; Y97-V167 HydrophobicContact CD2-CG1 4.05Å; Y97-V167 HydrophobicContact CE2-CG1 3.86Å |
| 98 | Q | 97.9 | Very high | 95.4 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 146 | 171.4 | 61.4 | -178.2 | 47.7 | 0 | 0 | 111.4 | L58 H151 G152 | L58-Q98 HydrophobicContact CD2-CG 3.8Å; Q98-H151 CarbonylContact O-C 3.52Å; Q98-H151 VanDerWaalsContact O-CA 3.26Å; Q98-H151 WeakPolarHBondContact O-CA 3.39Å; Q98-G152 PolarHBondContact N-O 2.87Å; Q98-G152 PolarHBondContact O-N 2.88Å |
| 99 | L | 98.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.6 | 177.2 | 177.3 | 66.1 | 0 | 0 | 0 | 108.5 | Y97 V101 F114 P116 V133 F149 E150 H151 | Y97-L99 HydrophobicContact CE1-CB 4.13Å; Y97-L99 WeakPolarHBondContact OH-CB 3.33Å; L99-V101 HydrophobicContact CD1-CG2 3.84Å; L99-V101 HydrophobicContact CD2-CG2 4.38Å; L99-V101 HydrophobicContact CG-CG2 4.04Å; L99-F114 HydrophobicContact CD2-CD1 4.42Å; L99-F114 HydrophobicContact CD2-CE1 4.02Å; L99-P116 HydrophobicContact CB-CG 4.23Å; L99-V133 HydrophobicContact CD2-CG1 3.65Å; L99-V133 HydrophobicContact CD2-CG2 4.16Å; L99-F149 HydrophobicContact CD1-CD2 4.46Å; L99-F149 HydrophobicContact CD1-CE1 4.12Å; L99-F149 HydrophobicContact CD1-CE2 3.88Å; L99-F149 HydrophobicContact CD1-CZ 3.69Å; L99-E150 CarbonylContact C-O 3.52Å; L99-E150 WeakPolarHBondContact CA-O 3.24Å; L99-H151 HydrophobicContact CD1-CB 3.81Å |
| 100 | T | 98.3 | Very high | 95.6 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 122.5 | 170.6 | -62 | 0 | 0 | 0 | 0 | 108.2 | E113 E150 | T100-E113 HydrophobicContact CG2-CG 4.46Å; T100-E150 PolarHBondContact N-O 3.12Å; T100-E150 PolarHBondContact O-N 2.81Å; T100-E150 VanDerWaalsContact O-O 3.13Å |
| 101 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 125.8 | 177.5 | -175 | 0 | 0 | 0 | 0 | 109 | V83 L99 F114 F137 I147 S148 F149 | V83-V101 HydrophobicContact CG1-CG1 4.03Å; V83-V101 HydrophobicContact CG2-CG1 4.45Å; V83-V101 HydrophobicContact CG2-CG2 4.25Å; L99-V101 HydrophobicContact CD1-CG2 3.84Å; L99-V101 HydrophobicContact CD2-CG2 4.38Å; L99-V101 HydrophobicContact CG-CG2 4.04Å; V101-F114 PolarHBondContact N-O 2.82Å; V101-F114 PolarHBondContact O-N 2.99Å; V101-F137 HydrophobicContact CB-CE2 4.26Å; V101-F137 HydrophobicContact CB-CZ 4.05Å; V101-F137 HydrophobicContact CG1-CE2 3.71Å; V101-F137 HydrophobicContact CG1-CZ 3.86Å; V101-I147 HydrophobicContact CG1-CG2 4.15Å; V101-S148 CarbonylContact C-O 3.6Å; V101-S148 VanDerWaalsContact CA-O 3.26Å; V101-S148 WeakPolarHBondContact CA-O 3.29Å; V101-F149 HydrophobicContact CG2-CD2 3.66Å; V101-F149 HydrophobicContact CG2-CE2 4.08Å; V101-F149 HydrophobicContact CG2-CG 4.36Å |
| 102 | C | 98.1 | Very high | 96 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 8% | 0.081 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.6 | -178.8 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | L104 I110 Q112 I147 S148 | C102-L104 HydrophobicContact CB-CD2 3.8Å; C102-L104 HydrophobicContact CB-CG 4.35Å; C102-I110 HydrophobicContact CB-CG1 4.49Å; C102-Q112 WeakPolarHBondContact CA-O 3.48Å; C102-I147 WeakPolarHBondContact O-CA 3.25Å; C102-S148 PolarHBondContact N-O 3.32Å; C102-S148 PolarHBondContact O-N 2.92Å |
| 103 | L | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 126.8 | 163.8 | -61.5 | -168.2 | 0 | 0 | 0 | 108.4 | V81 L111 Q112 F137 Y140 L144 I147 | V81-L103 HydrophobicContact CB-CD2 4.42Å; V81-L103 HydrophobicContact CG1-CD2 4.17Å; V81-L103 HydrophobicContact CG2-CD2 4.41Å; L103-L111 HydrophobicContact CB-CB 4.29Å; L103-L111 PolarHBondContact O-N 2.74Å; L103-Q112 HydrophobicContact CB-CB 4.49Å; L103-Q112 HydrophobicContact CD1-CB 4.45Å; L103-Q112 PolarHBondContact N-O 2.82Å; L103-F137 HydrophobicContact CD1-CB 3.58Å; L103-F137 HydrophobicContact CD1-CD1 3.84Å; L103-F137 HydrophobicContact CD1-CD2 4.26Å; L103-F137 HydrophobicContact CD1-CG 3.65Å; L103-F137 HydrophobicContact CD2-CD2 4.15Å; L103-F137 HydrophobicContact CD2-CE2 4.35Å; L103-F137 HydrophobicContact CD2-CG 4.35Å; L103-F137 HydrophobicContact CG-CB 4.42Å; L103-F137 HydrophobicContact CG-CD1 3.97Å; L103-F137 HydrophobicContact CG-CD2 4.23Å; L103-F137 HydrophobicContact CG-CE1 4.2Å; L103-F137 HydrophobicContact CG-CE2 4.45Å; L103-F137 HydrophobicContact CG-CG 3.96Å; L103-F137 HydrophobicContact CG-CZ 4.41Å; L103-Y140 HydrophobicContact CD1-CD1 3.37Å; L103-Y140 HydrophobicContact CD1-CD2 3.98Å; L103-Y140 HydrophobicContact CD1-CE1 3.93Å; L103-Y140 HydrophobicContact CD1-CE2 4.48Å; L103-Y140 HydrophobicContact CD1-CG 3.38Å; L103-L144 HydrophobicContact CB-CD1 3.89Å; L103-L144 HydrophobicContact CD1-CD1 4.39Å; L103-L144 HydrophobicContact CD2-CD1 3.98Å; L103-L144 HydrophobicContact CG-CD1 4.3Å; L103-I147 HydrophobicContact CD2-CB 4.49Å; L103-I147 HydrophobicContact CD2-CD1 4.37Å; L103-I147 HydrophobicContact CD2-CG1 3.84Å; L103-I147 HydrophobicContact CD2-CG2 4.18Å |
| 104 | L | 97.8 | Very high | 96.7 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 9% | 0.094 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.3 | -172.5 | -51.3 | 174.2 | 0 | 0 | 0 | 111.4 | C102 E109 I110 R145 F146 | C102-L104 HydrophobicContact CB-CD2 3.8Å; C102-L104 HydrophobicContact CB-CG 4.35Å; L104-E109 CarbonylContact C-O 3.56Å; L104-E109 VanDerWaalsContact CA-O 3.26Å; L104-E109 WeakPolarHBondContact CA-O 3.26Å; L104-I110 HydrophobicContact CD2-CB 4.35Å; L104-I110 HydrophobicContact CD2-CG1 3.7Å; L104-R145 PolarHBondContact O-N 2.74Å; L104-F146 HydrophobicContact CB-CB 4.11Å; L104-F146 HydrophobicContact CD1-CB 4.33Å; L104-F146 PolarHBondContact N-O 3.33Å; L104-F146 PolarHBondContact O-N 3.45Å |
| 105 | D | 95.8 | Very high | 96.9 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | trans | -85.1 | -173.8 | 174 | 87.3 | -17.9 | 0 | 0 | 0 | 113.3 | N107 E108 E109 L111 G143 F146 | D105-N107 PolarHBondContact O-N 2.94Å; D105-N107 VanDerWaalsContact OD1-CA 3.31Å; D105-N107 WeakPolarHBondContact OD1-CA 3.44Å; D105-N107 WeakPolarHBondContact OD1-CB 3.33Å; D105-N107 PolarHBondContact OD1-N 3.06Å; D105-N107 PolarHBondContact OD2-ND2 2.93Å; D105-E108 PolarHBondContact O-N 2.84Å; D105-E108 VanDerWaalsContact O-N 3.13Å; D105-E108 PolarHBondContact OD1-N 2.99Å; D105-E108 VanDerWaalsContact OD1-N 3.08Å; D105-E109 PolarHBondContact N-O 3.48Å; D105-E109 WeakPolarHBondContact OD1-CB 3.45Å; D105-E109 PolarHBondContact OD1-N 2.84Å; D105-L111 HydrophobicContact CB-CD1 4.32Å; D105-L111 HydrophobicContact CB-CD2 4.05Å; D105-L111 HydrophobicContact CB-CG 4.19Å; D105-G143 VanDerWaalsContact CA-O 3.25Å; D105-G143 WeakPolarHBondContact CA-O 3.4Å; D105-F146 VanDerWaalsContact O-CD2 3.29Å; D105-F146 WeakPolarHBondContact O-CD2 3.43Å | ||
| 106 | E | 94.6 | Very high | 96.8 | Very high | 157 Ų | 157 | 59 Ų | 59 | 73% | 0.734 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.1 | 178.3 | 71.5 | 180 | 137.7 | 0 | 0 | 114.5 | ||
| 107 | N | 95 | Very high | 96.7 | Very high | 109 Ų | 109 | 66 Ų | 66 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 8.1 | 178.4 | -53.6 | -69.2 | 0 | 0 | 0 | 112.1 | D105 E109 | D105-N107 PolarHBondContact O-N 2.94Å; D105-N107 VanDerWaalsContact OD1-CA 3.31Å; D105-N107 WeakPolarHBondContact OD1-CA 3.44Å; D105-N107 WeakPolarHBondContact OD1-CB 3.33Å; D105-N107 PolarHBondContact OD1-N 3.06Å; D105-N107 PolarHBondContact OD2-ND2 2.93Å; N107-E109 HydrophobicContact CB-CG 4.26Å; N107-E109 PolarHBondContact O-N 3.21Å |
| 108 | E | 92.6 | Very high | 96.5 | Very high | 144 Ų | 144 | 69.1 Ų | 69.1 | 67% | 0.673 | 34% | 0.343 | S | S | * | . | trans | 63.1 | 22.6 | -173 | -55.5 | 177.7 | -157.8 | 0 | 0 | 113.8 | D105 F146 | D105-E108 PolarHBondContact O-N 2.84Å; D105-E108 VanDerWaalsContact O-N 3.13Å; D105-E108 PolarHBondContact OD1-N 2.99Å; D105-E108 VanDerWaalsContact OD1-N 3.08Å; E108-F146 HydrophobicContact CG-CD2 4.45Å; E108-F146 HydrophobicContact CG-CE2 4.4Å | ||
| 109 | E | 96.2 | Very high | 96.4 | Very high | 132 Ų | 132 | 68.6 Ų | 68.6 | 62% | 0.617 | 34% | 0.343 | S | S | * | . | trans | -78.7 | 140.3 | 172 | -64.4 | -163.8 | 143.6 | 0 | 0 | 111.1 | L104 D105 N107 L111 | L104-E109 CarbonylContact C-O 3.56Å; L104-E109 VanDerWaalsContact CA-O 3.26Å; L104-E109 WeakPolarHBondContact CA-O 3.26Å; D105-E109 PolarHBondContact N-O 3.48Å; D105-E109 WeakPolarHBondContact OD1-CB 3.45Å; D105-E109 PolarHBondContact OD1-N 2.84Å; N107-E109 HydrophobicContact CB-CG 4.26Å; N107-E109 PolarHBondContact O-N 3.21Å; E109-L111 PolarHBondContact O-N 3.1Å | ||
| 110 | I | 96.8 | Very high | 96.2 | Very high | 103 Ų | 103 | 72.4 Ų | 72.4 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 116.5 | -177.9 | -59.6 | 172 | 0 | 0 | 0 | 110.1 | C102 L104 E113 | C102-I110 HydrophobicContact CB-CG1 4.49Å; L104-I110 HydrophobicContact CD2-CB 4.35Å; L104-I110 HydrophobicContact CD2-CG1 3.7Å; I110-E113 HydrophobicContact CG2-CB 4.13Å |
| 111 | L | 96.2 | Very high | 96 | Very high | 55 Ų | 55 | 71.5 Ų | 71.5 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -47.8 | 170.6 | -62.3 | 177.4 | 0 | 0 | 0 | 111.2 | L103 D105 E109 L144 | L103-L111 HydrophobicContact CB-CB 4.29Å; L103-L111 PolarHBondContact O-N 2.74Å; D105-L111 HydrophobicContact CB-CD1 4.32Å; D105-L111 HydrophobicContact CB-CD2 4.05Å; D105-L111 HydrophobicContact CB-CG 4.19Å; E109-L111 PolarHBondContact O-N 3.1Å; L111-L144 HydrophobicContact CD1-CB 4.14Å |
| 112 | Q | 96.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 142.4 | 176.5 | -165.4 | 172.1 | 8.2 | 0 | 0 | 110.1 | C102 L103 F137 Y140 | C102-Q112 WeakPolarHBondContact CA-O 3.48Å; L103-Q112 HydrophobicContact CB-CB 4.49Å; L103-Q112 HydrophobicContact CD1-CB 4.45Å; L103-Q112 PolarHBondContact N-O 2.82Å; Q112-F137 HydrophobicContact CB-CD1 4.08Å; Q112-F137 HydrophobicContact CB-CE1 4.31Å; Q112-F137 HydrophobicContact CG-CD1 3.81Å; Q112-F137 HydrophobicContact CG-CE1 4.05Å; Q112-Y140 VanDerWaalsContact OE1-CB 3.3Å |
| 113 | E | 97.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.6 | 177.6 | -179.7 | -179.4 | 67.3 | 0 | 0 | 109.9 | T100 I110 K115 | T100-E113 HydrophobicContact CG2-CG 4.46Å; I110-E113 HydrophobicContact CG2-CB 4.13Å; E113-K115 HydrophobicContact CG-CB 4.22Å |
| 114 | F | 97.8 | Very high | 94.9 | Very high | 34 Ų | 34 | 81.8 Ų | 81.8 | 15% | 0.149 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111 | 165.2 | 175.9 | -112.7 | 0 | 0 | 0 | 109 | L99 V101 P116 V133 H135 F137 | L99-F114 HydrophobicContact CD2-CD1 4.42Å; L99-F114 HydrophobicContact CD2-CE1 4.02Å; V101-F114 PolarHBondContact N-O 2.82Å; V101-F114 PolarHBondContact O-N 2.99Å; F114-P116 HydrophobicContact CE1-CG 3.96Å; F114-P116 HydrophobicContact CZ-CB 4.07Å; F114-P116 HydrophobicContact CZ-CG 3.91Å; F114-V133 HydrophobicContact CE1-CG2 4.15Å; F114-V133 HydrophobicContact CZ-CG2 4.21Å; F114-H135 HydrophobicContact CD1-CB 3.63Å; F114-H135 AromaticContact CD1-CG 3.94Å; F114-H135 HydrophobicContact CD2-CB 3.94Å; F114-H135 AromaticContact CD2-CD2 3.75Å; F114-H135 AromaticContact CD2-CE1 3.75Å; F114-H135 AromaticContact CD2-CG 3.44Å; F114-H135 VanDerWaalsContact CD2-CG 3.44Å; F114-H135 AromaticContact CD2-ND1 3.45Å; F114-H135 WeakPolarHBondContact CD2-ND1 3.43Å; F114-H135 AromaticContact CD2-NE2 3.95Å; F114-H135 HydrophobicContact CE1-CB 3.57Å; F114-H135 HydrophobicContact CE2-CB 3.9Å; F114-H135 AromaticContact CE2-CG 3.73Å; F114-H135 AromaticContact CE2-ND1 3.55Å; F114-H135 HydrophobicContact CG-CB 3.81Å; F114-H135 AromaticContact CG-CD2 3.63Å; F114-H135 AromaticContact CG-CG 3.56Å; F114-H135 HydrophobicContact CZ-CB 3.71Å; F114-F137 HydrophobicContact CB-CE1 3.67Å; F114-F137 HydrophobicContact CB-CE2 4.29Å; F114-F137 HydrophobicContact CB-CZ 3.36Å |
| 115 | K | 97.1 | Very high | 94.4 | Very high | 135 Ų | 135 | 86 Ų | 86 | 59% | 0.587 | 45% | 0.447 | S | S | * | . | trans | -134.2 | 90.6 | 177.6 | -175.1 | 172 | -175.9 | 169.8 | 0 | 109.1 | E113 | E113-K115 HydrophobicContact CG-CB 4.22Š| ||
| 116 | P | 95.3 | Very high | 94 | Very high | 39 Ų | 39 | 87.8 Ų | 87.8 | 25% | 0.253 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 158.5 | 173.8 | 27.8 | -33.9 | 0 | 0 | 0 | 110.3 | L99 F114 S118 V133 | L99-P116 HydrophobicContact CB-CG 4.23Å; F114-P116 HydrophobicContact CE1-CG 3.96Å; F114-P116 HydrophobicContact CZ-CB 4.07Å; F114-P116 HydrophobicContact CZ-CG 3.91Å; P116-S118 PolarHBondContact O-N 3.05Å; P116-V133 HydrophobicContact CG-CG2 4.49Å |
| 117 | E | 95.1 | Very high | 93.5 | Very high | 180 Ų | 180 | 84.1 Ų | 84.1 | 84% | 0.841 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 139.5 | 171.3 | -68.5 | -173 | 163.4 | 0 | 0 | 110.1 | V119 | E117-V119 PolarHBondContact O-N 2.79Š|
| 118 | S | 93.4 | Very high | 93.2 | Very high | 72 Ų | 72 | 78.9 Ų | 78.9 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 130.3 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | Y97 P116 | Y97-S118 CarbonylContact O-C 3.59Å; Y97-S118 VanDerWaalsContact O-CA 3.3Å; Y97-S118 WeakPolarHBondContact O-CA 3.31Å; P116-S118 PolarHBondContact O-N 3.05Å |
| 119 | V | 94.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 73.2 Ų | 73.2 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 134.3 | -179 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | Y87 T96 Y97 E117 L121 | Y87-V119 HydrophobicContact CE2-CB 4.36Å; Y87-V119 HydrophobicContact CE2-CG1 4.03Å; T96-V119 CarbonylContact C-O 3.44Å; T96-V119 VanDerWaalsContact CA-O 3.29Å; T96-V119 WeakPolarHBondContact CA-O 3.29Å; Y97-V119 HydrophobicContact CD1-CB 4.44Å; Y97-V119 HydrophobicContact CD1-CG2 4.43Å; Y97-V119 PolarHBondContact N-O 2.95Å; Y97-V119 PolarHBondContact O-N 2.81Å; E117-V119 PolarHBondContact O-N 2.79Å; V119-L121 HydrophobicContact CG1-CD2 4.23Å; V119-L121 HydrophobicContact CG1-CG 4.48Å |
| 120 | T | 95.4 | Very high | 93 | Very high | 85 Ų | 85 | 68.2 Ų | 68.2 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.3 | 168 | -56.4 | 0 | 0 | 0 | 0 | 108 | C95 T96 T156 | C95-T120 WeakPolarHBondContact O-CA 3.46Å; T96-T120 HydrophobicContact CG2-CG2 4.42Å; T120-T156 HydrophobicContact CG2-CG2 4.23Å |
| 121 | L | 93.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.5 | 172.5 | -64.5 | 176.5 | 0 | 0 | 0 | 108 | Y87 G94 C95 V119 K131 | Y87-L121 HydrophobicContact CD2-CD1 4.06Å; Y87-L121 HydrophobicContact CE2-CD1 4.22Å; Y87-L121 HydrophobicContact CE2-CD2 4.4Å; G94-L121 CarbonylContact C-O 3.6Å; G94-L121 WeakPolarHBondContact CA-O 3.46Å; C95-L121 PolarHBondContact N-O 2.64Å; C95-L121 PolarHBondContact O-N 2.69Å; V119-L121 HydrophobicContact CG1-CD2 4.23Å; V119-L121 HydrophobicContact CG1-CG 4.48Å; L121-K131 HydrophobicContact CD2-CD 4.39Å |
| 122 | D | 92.3 | Very high | 92.9 | Very high | 61 Ų | 61 | 67.8 Ų | 67.8 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | trans | -115.5 | 114.2 | 177.1 | -175.3 | -10.5 | 0 | 0 | 0 | 110 | D124 C125 D126 | D122-D124 PolarHBondContact O-N 3.04Å; D122-D124 WeakPolarHBondContact OD1-CB 3.27Å; D122-D124 PolarHBondContact OD1-N 3.11Å; D122-C125 HydrophobicContact CB-CB 4.46Å; D122-C125 PolarHBondContact O-N 2.85Å; D122-D126 PolarHBondContact N-OD2 3.23Å; D122-D126 WeakPolarHBondContact O-CA 3.13Å; D122-D126 VanDerWaalsContact O-CB 3.3Å; D122-D126 WeakPolarHBondContact O-CB 3.43Å; D122-D126 PolarHBondContact O-N 2.87Å | ||
| 123 | P | 90 | Very high | 92.9 | Very high | 26 Ų | 26 | 66 Ų | 66 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.4 | -179.4 | 26.8 | -37.1 | 0 | 0 | 0 | 114.3 | T91 G94 C125 | T91-P123 VanDerWaalsContact O-CB 3.28Å; T91-P123 WeakPolarHBondContact O-CB 3.47Å; G94-P123 VanDerWaalsContact CA-CD 3.47Å; P123-C125 VanDerWaalsContact C-N 3.33Å |
| 124 | D | 88.7 | Confident | 92.8 | Very high | 140 Ų | 140 | 66.1 Ų | 66.1 | 75% | 0.749 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -20.5 | 175.5 | -68.5 | -34.9 | 0 | 0 | 0 | 112.5 | D122 | D122-D124 PolarHBondContact O-N 3.04Å; D122-D124 WeakPolarHBondContact OD1-CB 3.27Å; D122-D124 PolarHBondContact OD1-N 3.11Å |
| 125 | C | 86.9 | Confident | 92.8 | Very high | 107 Ų | 107 | 67 Ų | 67 | 72% | 0.723 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | -23.1 | -174.2 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | D122 P123 | D122-C125 HydrophobicContact CB-CB 4.46Å; D122-C125 PolarHBondContact O-N 2.85Å; P123-C125 VanDerWaalsContact C-N 3.33Å |
| 126 | D | 87.9 | Confident | 92.8 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -112.9 | 159.9 | -175.1 | -68.3 | -70.5 | 0 | 0 | 0 | 111.6 | D122 C128 K131 | D122-D126 PolarHBondContact N-OD2 3.23Å; D122-D126 WeakPolarHBondContact O-CA 3.13Å; D122-D126 VanDerWaalsContact O-CB 3.3Å; D122-D126 WeakPolarHBondContact O-CB 3.43Å; D122-D126 PolarHBondContact O-N 2.87Å; D126-C128 VanDerWaalsContact C-N 3.27Å; D126-K131 IonicContact OD1-NZ 2.78Å |
| 127 | D | 84.4 | Confident | 92.9 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | trans | -78.2 | -11.3 | 171.8 | 68 | -13.2 | 0 | 0 | 0 | 113.2 | Y39 S129 K131 | Y39-D127 WeakPolarHBondContact CE2-O 3.5Å; Y39-D127 VanDerWaalsContact CZ-O 3.3Å; Y39-D127 PolarHBondContact OH-O 3.32Å; D127-S129 PolarHBondContact O-N 2.99Å; D127-S129 PolarHBondContact OD1-N 2.94Å; D127-S129 PolarHBondContact OD1-OG 3.07Å; D127-S129 WeakPolarHBondContact OD2-CB 3.21Å; D127-S129 PolarHBondContact OD2-OG 3.18Å; D127-K131 WeakPolarHBondContact OD1-CE 3.38Å; D127-K131 IonicContact OD1-NZ 2.75Å | ||
| 128 | C | 88.9 | Confident | 92.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.319 | C | S | . | . | trans | 50.2 | 21.1 | -175.3 | -64.1 | 0 | 0 | 0 | 0 | 114.6 | G89 R90 T91 D126 | G89-C128 PolarHBondContact N-O 2.87Å; R90-C128 PolarHBondContact O-SG 2.66Å; R90-C128 VanDerWaalsContact O-SG 3.4Å; T91-C128 HydrophobicContact CG2-CB 4.46Å; D126-C128 VanDerWaalsContact C-N 3.27Å | ||
| 129 | S | 91.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | trans | -75.4 | 169.6 | -179.2 | 73.1 | 0 | 0 | 0 | 0 | 111.6 | D127 K131 | D127-S129 PolarHBondContact O-N 2.99Å; D127-S129 PolarHBondContact OD1-N 2.94Å; D127-S129 PolarHBondContact OD1-OG 3.07Å; D127-S129 WeakPolarHBondContact OD2-CB 3.21Å; D127-S129 PolarHBondContact OD2-OG 3.18Å; S129-K131 PolarHBondContact O-N 2.86Å | ||
| 130 | W | 94.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 58.6 Ų | 58.6 | 10% | 0.102 | 32% | 0.32 | C | S | . | . | trans | -64.2 | 119.5 | 175.6 | -71.9 | 103.3 | 0 | 0 | 0 | 111.1 | M33 Y39 F41 Y49 W86 Y87 S88 R166 T168 | M33-W130 HydrophobicContact SD-CZ2 4.23Å; Y39-W130 PolarHBondContact O-NE1 3.44Å; F41-W130 HydrophobicContact CB-CG 4.5Å; F41-W130 HydrophobicContact CD2-CB 4.14Å; F41-W130 AromaticContact CD2-CD2 3.62Å; F41-W130 HydrophobicContact CD2-CD2 3.62Å; F41-W130 AromaticContact CD2-CE2 3.98Å; F41-W130 AromaticContact CD2-CE3 3.98Å; F41-W130 HydrophobicContact CD2-CE3 3.98Å; F41-W130 AromaticContact CD2-CG 3.69Å; F41-W130 HydrophobicContact CD2-CG 3.69Å; F41-W130 HydrophobicContact CE2-CD2 4.3Å; F41-W130 HydrophobicContact CE2-CE3 4.24Å; F41-W130 HydrophobicContact CE2-CG 4.48Å; Y49-W130 HydrophobicContact CD1-CZ2 4.4Å; Y49-W130 HydrophobicContact CG-CH2 4.2Å; Y49-W130 HydrophobicContact CG-CZ2 4.24Å; W86-W130 HydrophobicContact CB-CE3 4.06Å; W86-W130 HydrophobicContact CB-CZ3 4.38Å; W86-W130 HydrophobicContact CE3-CB 4.19Å; Y87-W130 WeakPolarHBondContact O-CA 3.44Å; S88-W130 VanDerWaalsContact OG-CE2 3.25Å; S88-W130 WeakPolarHBondContact OG-CH2 3.26Å; S88-W130 VanDerWaalsContact OG-CZ2 3.31Å; S88-W130 WeakPolarHBondContact OG-CZ2 3.21Å; S88-W130 WeakPolarHBondContact OG-CZ3 3.34Å; W130-R166 HydrophobicContact CH2-CB 3.91Å; W130-R166 HydrophobicContact CZ2-CB 4.47Å; W130-R166 HydrophobicContact CZ3-CB 4.47Å; W130-T168 HydrophobicContact CE3-CG2 4.35Å; W130-T168 HydrophobicContact CH2-CG2 3.62Å; W130-T168 HydrophobicContact CZ2-CG2 4.26Å; W130-T168 HydrophobicContact CZ3-CG2 3.67Å | ||
| 131 | K | 94.1 | Very high | 92.3 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.7 | 177 | -66.7 | 175.1 | -173.1 | 175 | 0 | 108.9 | W86 Y87 L121 D126 D127 S129 | W86-K131 WeakPolarHBondContact CA-O 3.41Å; Y87-K131 WeakPolarHBondContact CD1-O 3.35Å; Y87-K131 HydrophobicContact CE1-CB 3.99Å; Y87-K131 HydrophobicContact CE2-CB 4.09Å; Y87-K131 HydrophobicContact CE2-CD 4.38Å; Y87-K131 PolarHBondContact N-O 2.78Å; Y87-K131 PolarHBondContact O-N 3.01Å; L121-K131 HydrophobicContact CD2-CD 4.39Å; D126-K131 IonicContact OD1-NZ 2.78Å; D127-K131 WeakPolarHBondContact OD1-CE 3.38Å; D127-K131 IonicContact OD1-NZ 2.75Å; S129-K131 PolarHBondContact O-N 2.86Å |
| 132 | Q | 95.6 | Very high | 92.2 | Very high | 92 Ų | 92 | 60.7 Ų | 60.7 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.9 | 174.9 | -164.6 | 179.3 | 42.3 | 0 | 0 | 109.9 | D85 W86 | D85-Q132 WeakPolarHBondContact O-CA 3.31Å; W86-Q132 HydrophobicContact CD2-CB 3.82Å; W86-Q132 HydrophobicContact CD2-CG 3.95Å; W86-Q132 HydrophobicContact CE3-CB 3.79Å; W86-Q132 HydrophobicContact CE3-CG 4.44Å; W86-Q132 HydrophobicContact CG-CG 4.41Å; W86-Q132 HydrophobicContact CH2-CB 3.83Å; W86-Q132 HydrophobicContact CH2-CG 4.38Å; W86-Q132 HydrophobicContact CZ2-CB 3.84Å; W86-Q132 HydrophobicContact CZ2-CG 3.87Å; W86-Q132 HydrophobicContact CZ3-CB 3.8Å |
| 133 | V | 96.4 | Very high | 92.2 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.8 | 159.4 | 59.5 | 0 | 0 | 0 | 0 | 108.3 | A84 D85 Y87 Y97 L99 F114 P116 | A84-V133 CarbonylContact C-O 3.54Å; A84-V133 VanDerWaalsContact CA-O 3.25Å; A84-V133 WeakPolarHBondContact CA-O 3.47Å; D85-V133 HydrophobicContact CB-CG1 3.8Å; D85-V133 PolarHBondContact N-O 3.31Å; D85-V133 PolarHBondContact O-N 2.9Å; Y87-V133 HydrophobicContact CD1-CG1 4.38Å; Y87-V133 HydrophobicContact CE1-CB 4.27Å; Y87-V133 HydrophobicContact CE1-CG1 4.37Å; Y97-V133 HydrophobicContact CE1-CG1 4.07Å; Y97-V133 WeakPolarHBondContact OH-CG1 3.49Å; L99-V133 HydrophobicContact CD2-CG1 3.65Å; L99-V133 HydrophobicContact CD2-CG2 4.16Å; F114-V133 HydrophobicContact CE1-CG2 4.15Å; F114-V133 HydrophobicContact CZ-CG2 4.21Å; P116-V133 HydrophobicContact CG-CG2 4.49Å |
| 134 | N | 96.8 | Very high | 92.5 | Very high | 103 Ų | 103 | 59 Ų | 59 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 155.2 | 174.7 | 63 | 54 | 0 | 0 | 0 | 110.7 | V83 A84 | V83-N134 CarbonylContact O-C 3.52Å; V83-N134 WeakPolarHBondContact O-CA 3.34Å; A84-N134 HydrophobicContact CB-CB 4.1Å |
| 135 | H | 97.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 147.2 | 175.1 | -173.6 | 70.8 | 0 | 0 | 0 | 109.9 | S82 V83 F114 F137 | S82-H135 WeakPolarHBondContact CA-O 3.42Å; V83-H135 HydrophobicContact CG2-CB 3.9Å; V83-H135 PolarHBondContact N-O 2.55Å; V83-H135 PolarHBondContact O-N 2.89Å; F114-H135 HydrophobicContact CD1-CB 3.63Å; F114-H135 AromaticContact CD1-CG 3.94Å; F114-H135 HydrophobicContact CD2-CB 3.94Å; F114-H135 AromaticContact CD2-CD2 3.75Å; F114-H135 AromaticContact CD2-CE1 3.75Å; F114-H135 AromaticContact CD2-CG 3.44Å; F114-H135 VanDerWaalsContact CD2-CG 3.44Å; F114-H135 AromaticContact CD2-ND1 3.45Å; F114-H135 WeakPolarHBondContact CD2-ND1 3.43Å; F114-H135 AromaticContact CD2-NE2 3.95Å; F114-H135 HydrophobicContact CE1-CB 3.57Å; F114-H135 HydrophobicContact CE2-CB 3.9Å; F114-H135 AromaticContact CE2-CG 3.73Å; F114-H135 AromaticContact CE2-ND1 3.55Å; F114-H135 HydrophobicContact CG-CB 3.81Å; F114-H135 AromaticContact CG-CD2 3.63Å; F114-H135 AromaticContact CG-CG 3.56Å; F114-H135 HydrophobicContact CZ-CB 3.71Å; H135-F137 AromaticContact CD2-CD1 3.94Å; H135-F137 AromaticContact CD2-CD2 3.89Å; H135-F137 AromaticContact CD2-CE1 3.93Å; H135-F137 AromaticContact CD2-CE2 3.85Å; H135-F137 AromaticContact CD2-CG 3.94Å; H135-F137 AromaticContact CD2-CZ 3.9Å; H135-F137 AromaticContact NE2-CD1 3.87Å |
| 136 | T | 97.5 | Very high | 93.4 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 36% | 0.356 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 115.5 | 171.9 | -58.1 | 0 | 0 | 0 | 0 | 109.2 | A80 V81 S82 N138 | A80-T136 HydrophobicContact CB-CG2 3.94Å; V81-T136 CarbonylContact O-C 3.51Å; V81-T136 WeakPolarHBondContact O-CA 3.15Å; S82-T136 PolarHBondContact OG-OG1 3.21Å; T136-N138 PolarHBondContact O-ND2 2.9Å; T136-N138 VanDerWaalsContact O-ND2 3.1Å |
| 137 | F | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 131.2 | 172.4 | -61.3 | -89.8 | 0 | 0 | 0 | 109.8 | V81 V83 V101 L103 Q112 F114 H135 Y140 | V81-F137 HydrophobicContact CB-CB 4.23Å; V81-F137 HydrophobicContact CB-CD2 4.25Å; V81-F137 HydrophobicContact CG1-CD2 4.31Å; V81-F137 PolarHBondContact N-O 2.74Å; V81-F137 PolarHBondContact O-N 2.87Å; V83-F137 HydrophobicContact CG1-CE2 4.17Å; V83-F137 HydrophobicContact CG2-CE2 4.15Å; V101-F137 HydrophobicContact CB-CE2 4.26Å; V101-F137 HydrophobicContact CB-CZ 4.05Å; V101-F137 HydrophobicContact CG1-CE2 3.71Å; V101-F137 HydrophobicContact CG1-CZ 3.86Å; L103-F137 HydrophobicContact CD1-CB 3.58Å; L103-F137 HydrophobicContact CD1-CD1 3.84Å; L103-F137 HydrophobicContact CD1-CD2 4.26Å; L103-F137 HydrophobicContact CD1-CG 3.65Å; L103-F137 HydrophobicContact CD2-CD2 4.15Å; L103-F137 HydrophobicContact CD2-CE2 4.35Å; L103-F137 HydrophobicContact CD2-CG 4.35Å; L103-F137 HydrophobicContact CG-CB 4.42Å; L103-F137 HydrophobicContact CG-CD1 3.97Å; L103-F137 HydrophobicContact CG-CD2 4.23Å; L103-F137 HydrophobicContact CG-CE1 4.2Å; L103-F137 HydrophobicContact CG-CE2 4.45Å; L103-F137 HydrophobicContact CG-CG 3.96Å; L103-F137 HydrophobicContact CG-CZ 4.41Å; Q112-F137 HydrophobicContact CB-CD1 4.08Å; Q112-F137 HydrophobicContact CB-CE1 4.31Å; Q112-F137 HydrophobicContact CG-CD1 3.81Å; Q112-F137 HydrophobicContact CG-CE1 4.05Å; F114-F137 HydrophobicContact CB-CE1 3.67Å; F114-F137 HydrophobicContact CB-CE2 4.29Å; F114-F137 HydrophobicContact CB-CZ 3.36Å; H135-F137 AromaticContact CD2-CD1 3.94Å; H135-F137 AromaticContact CD2-CD2 3.89Å; H135-F137 AromaticContact CD2-CE1 3.93Å; H135-F137 AromaticContact CD2-CE2 3.85Å; H135-F137 AromaticContact CD2-CG 3.94Å; H135-F137 AromaticContact CD2-CZ 3.9Å; H135-F137 AromaticContact NE2-CD1 3.87Å; F137-Y140 HydrophobicContact CB-CD1 3.92Å; F137-Y140 HydrophobicContact CB-CE1 4.41Å |
| 138 | N | 94.4 | Very high | 94.5 | Very high | 87 Ų | 87 | 46.6 Ų | 46.6 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | trans | -137.3 | 150.7 | 175.5 | -64.1 | -83.2 | 0 | 0 | 0 | 107.8 | T136 Y140 | T136-N138 PolarHBondContact O-ND2 2.9Å; T136-N138 VanDerWaalsContact O-ND2 3.1Å; N138-Y140 PolarHBondContact O-N 2.87Å; N138-Y140 VanDerWaalsContact O-N 3.11Å | ||
| 139 | D | 91.2 | Very high | 95 | Very high | 137 Ų | 137 | 46.6 Ų | 46.6 | 73% | 0.733 | 26% | 0.26 | S | S | * | . | trans | 54.8 | 30.5 | 173.7 | -63.8 | -49.9 | 0 | 0 | 0 | 115.3 | G141 | D139-G141 PolarHBondContact O-N 3.42Š| ||
| 140 | Y | 91.6 | Very high | 95.3 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | trans | -69.1 | 8.4 | 179.4 | 44.8 | -98.9 | 0 | 0 | 0 | 115.5 | K78 P79 V81 L103 Q112 F137 N138 L144 | K78-Y140 WeakPolarHBondContact CA-OH 3.21Å; K78-Y140 HydrophobicContact CB-CE2 4.13Å; K78-Y140 HydrophobicContact CG-CE2 4.35Å; P79-Y140 VanDerWaalsContact CD-OH 3.23Å; P79-Y140 WeakPolarHBondContact CD-OH 3.43Å; P79-Y140 VanDerWaalsContact N-OH 3.16Å; P79-Y140 VanDerWaalsContact O-CE1 3.28Å; P79-Y140 WeakPolarHBondContact O-CE1 3.47Å; P79-Y140 PolarHBondContact O-OH 2.83Å; V81-Y140 HydrophobicContact CG2-CE1 4.09Å; L103-Y140 HydrophobicContact CD1-CD1 3.37Å; L103-Y140 HydrophobicContact CD1-CD2 3.98Å; L103-Y140 HydrophobicContact CD1-CE1 3.93Å; L103-Y140 HydrophobicContact CD1-CE2 4.48Å; L103-Y140 HydrophobicContact CD1-CG 3.38Å; Q112-Y140 VanDerWaalsContact OE1-CB 3.3Å; F137-Y140 HydrophobicContact CB-CD1 3.92Å; F137-Y140 HydrophobicContact CB-CE1 4.41Å; N138-Y140 PolarHBondContact O-N 2.87Å; N138-Y140 VanDerWaalsContact O-N 3.11Å; Y140-L144 HydrophobicContact CD2-CB 4.21Å; Y140-L144 HydrophobicContact CE2-CB 3.65Å; Y140-L144 HydrophobicContact CE2-CD2 3.63Å; Y140-L144 HydrophobicContact CE2-CG 4.16Å; Y140-L144 WeakPolarHBondContact OH-CD2 3.43Å | ||
| 141 | G | 89.6 | Confident | 95.5 | Very high | 24 Ų | 24 | 46 Ų | 46 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | trans | 78.7 | 174.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D139 | D139-G141 PolarHBondContact O-N 3.42Š| ||
| 142 | P | 90.7 | Very high | 95.7 | Very high | 106 Ų | 106 | 43.3 Ų | 43.3 | 69% | 0.688 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -76.3 | 164 | 177.6 | 33.8 | -35.4 | 0 | 0 | 0 | 111.5 | ||
| 143 | G | 92.4 | Very high | 95.8 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 46% | 0.464 | 22% | 0.223 | S | C | . | . | trans | 98.7 | 5.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D105 R145 | D105-G143 VanDerWaalsContact CA-O 3.25Å; D105-G143 WeakPolarHBondContact CA-O 3.4Å; G143-R145 PolarHBondContact O-N 3.19Å | ||
| 144 | L | 95.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -53.6 | 123.4 | 176.8 | 175.7 | 65.9 | 0 | 0 | 0 | 111.1 | L65 L75 V81 L103 L111 Y140 I147 | L65-L144 HydrophobicContact CD1-CD1 4.06Å; L65-L144 HydrophobicContact CD1-CD2 3.6Å; L65-L144 HydrophobicContact CD1-CG 3.52Å; L75-L144 WeakPolarHBondContact CD1-O 3.44Å; L75-L144 HydrophobicContact CD2-CD2 4.43Å; V81-L144 HydrophobicContact CG2-CD2 3.99Å; L103-L144 HydrophobicContact CB-CD1 3.89Å; L103-L144 HydrophobicContact CD1-CD1 4.39Å; L103-L144 HydrophobicContact CD2-CD1 3.98Å; L103-L144 HydrophobicContact CG-CD1 4.3Å; L111-L144 HydrophobicContact CD1-CB 4.14Å; Y140-L144 HydrophobicContact CD2-CB 4.21Å; Y140-L144 HydrophobicContact CE2-CB 3.65Å; Y140-L144 HydrophobicContact CE2-CD2 3.63Å; Y140-L144 HydrophobicContact CE2-CG 4.16Å; Y140-L144 WeakPolarHBondContact OH-CD2 3.43Å; L144-I147 HydrophobicContact CD1-CG1 4.38Å | ||
| 145 | R | 96.2 | Very high | 95.7 | Very high | 74 Ų | 74 | 35 Ų | 35 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | trans | -130.2 | -45.2 | 178.8 | 177.3 | 59.9 | -167.6 | -136.3 | -0.5 | 112.7 | D64 L65 V66 L104 G143 | D64-R145 IonicContact OD1-CZ 3.71Å; D64-R145 VanDerWaalsContact OD1-CZ 3.27Å; D64-R145 IonicContact OD1-NE 3.53Å; D64-R145 PolarHBondContact OD1-NE 2.85Å; D64-R145 IonicContact OD1-NH2 3.57Å; D64-R145 PolarHBondContact OD1-NH2 3.04Å; D64-R145 IonicContact OD2-CZ 3.69Å; D64-R145 IonicContact OD2-NE 3.57Å; D64-R145 IonicContact OD2-NH2 2.69Å; D64-R145 PolarHBondContact OD2-NH2 2.85Å; L65-R145 WeakPolarHBondContact CB-O 3.24Å; L65-R145 PolarHBondContact N-O 2.8Å; L65-R145 VanDerWaalsContact N-O 3.1Å; V66-R145 VanDerWaalsContact CB-NH1 3.31Å; L104-R145 PolarHBondContact O-N 2.74Å; G143-R145 PolarHBondContact O-N 3.19Å | ||
| 146 | F | 97.5 | Very high | 95.5 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 156.1 | -179.6 | -47.5 | -85.5 | 0 | 0 | 0 | 112 | V62 V63 D64 L104 D105 E108 | V62-F146 HydrophobicContact CG1-CB 3.98Å; V62-F146 HydrophobicContact CG1-CD1 4.35Å; V62-F146 HydrophobicContact CG1-CG 4.43Å; V63-F146 CarbonylContact O-C 3.56Å; V63-F146 WeakPolarHBondContact O-CA 3.4Å; D64-F146 HydrophobicContact CB-CD1 3.75Å; D64-F146 HydrophobicContact CB-CE1 3.7Å; L104-F146 HydrophobicContact CB-CB 4.11Å; L104-F146 HydrophobicContact CD1-CB 4.33Å; L104-F146 PolarHBondContact N-O 3.33Å; L104-F146 PolarHBondContact O-N 3.45Å; D105-F146 VanDerWaalsContact O-CD2 3.29Å; D105-F146 WeakPolarHBondContact O-CD2 3.43Å; E108-F146 HydrophobicContact CG-CD2 4.45Å; E108-F146 HydrophobicContact CG-CE2 4.4Å |
| 147 | I | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.9 | 169.8 | -54.8 | 172 | 0 | 0 | 0 | 107.4 | V62 V63 L65 V81 V101 C102 L103 L144 V172 V174 | V62-I147 CarbonylContact C-O 3.59Å; V62-I147 WeakPolarHBondContact CA-O 3.42Å; V63-I147 HydrophobicContact CB-CB 4.33Å; V63-I147 PolarHBondContact N-O 2.9Å; V63-I147 PolarHBondContact O-N 2.81Å; L65-I147 HydrophobicContact CD1-CD1 4.22Å; L65-I147 HydrophobicContact CD1-CG1 4.24Å; L65-I147 HydrophobicContact CD2-CD1 3.81Å; L65-I147 HydrophobicContact CD2-CG1 4.35Å; L65-I147 HydrophobicContact CG-CD1 4.36Å; L65-I147 HydrophobicContact CG-CG1 4.43Å; V81-I147 HydrophobicContact CG1-CD1 3.63Å; V81-I147 HydrophobicContact CG2-CD1 4.46Å; V101-I147 HydrophobicContact CG1-CG2 4.15Å; C102-I147 WeakPolarHBondContact O-CA 3.25Å; L103-I147 HydrophobicContact CD2-CB 4.49Å; L103-I147 HydrophobicContact CD2-CD1 4.37Å; L103-I147 HydrophobicContact CD2-CG1 3.84Å; L103-I147 HydrophobicContact CD2-CG2 4.18Å; L144-I147 HydrophobicContact CD1-CG1 4.38Å; I147-V172 HydrophobicContact CD1-CG1 3.63Å; I147-V172 HydrophobicContact CG2-CG1 4.12Å; I147-V174 HydrophobicContact CD1-CG2 4.02Å |
| 148 | S | 98.3 | Very high | 95 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.2 | 171.8 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | V101 C102 | V101-S148 CarbonylContact C-O 3.6Å; V101-S148 VanDerWaalsContact CA-O 3.26Å; V101-S148 WeakPolarHBondContact CA-O 3.29Å; C102-S148 PolarHBondContact N-O 3.32Å; C102-S148 PolarHBondContact O-N 2.92Å |
| 149 | F | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 116.1 | 175.5 | -177.1 | -77.4 | 0 | 0 | 0 | 108.8 | L6 W18 R60 Q61 D85 L99 V101 H151 V172 | L6-F149 HydrophobicContact CD1-CD1 4.01Å; L6-F149 HydrophobicContact CD1-CD2 4.01Å; L6-F149 HydrophobicContact CD1-CE1 4.16Å; L6-F149 HydrophobicContact CD1-CE2 4.14Å; L6-F149 HydrophobicContact CD1-CG 3.94Å; L6-F149 HydrophobicContact CD1-CZ 4.22Å; L6-F149 HydrophobicContact CD2-CB 4.01Å; L6-F149 HydrophobicContact CD2-CG 4.26Å; W18-F149 AromaticContact CH2-CD1 3.82Å; W18-F149 HydrophobicContact CH2-CD1 3.82Å; W18-F149 HydrophobicContact CH2-CE1 4Å; W18-F149 AromaticContact CZ3-CD1 3.94Å; W18-F149 HydrophobicContact CZ3-CD1 3.94Å; W18-F149 HydrophobicContact CZ3-CE1 4.39Å; R60-F149 CarbonylContact C-O 3.48Å; R60-F149 VanDerWaalsContact CA-O 3.25Å; R60-F149 WeakPolarHBondContact CA-O 3.5Å; Q61-F149 PolarHBondContact N-O 3.38Å; Q61-F149 PolarHBondContact O-N 3.25Å; D85-F149 HydrophobicContact CB-CZ 3.95Å; L99-F149 HydrophobicContact CD1-CD2 4.46Å; L99-F149 HydrophobicContact CD1-CE1 4.12Å; L99-F149 HydrophobicContact CD1-CE2 3.88Å; L99-F149 HydrophobicContact CD1-CZ 3.69Å; V101-F149 HydrophobicContact CG2-CD2 3.66Å; V101-F149 HydrophobicContact CG2-CE2 4.08Å; V101-F149 HydrophobicContact CG2-CG 4.36Å; F149-H151 HydrophobicContact CE1-CB 4.28Å; F149-H151 AromaticContact CE1-CG 3.86Å; F149-H151 AromaticContact CE1-ND1 3.78Å; F149-V172 HydrophobicContact CB-CG2 4.47Å; F149-V172 HydrophobicContact CD2-CG2 3.87Å; F149-V172 HydrophobicContact CG-CG2 4.47Å |
| 150 | E | 98.6 | Very high | 94.9 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.6 | 178.5 | -176.6 | 175.4 | 77.9 | 0 | 0 | 110.9 | T21 L58 K59 R60 L99 T100 | T21-E150 WeakPolarHBondContact CB-OE2 3.35Å; T21-E150 VanDerWaalsContact CG2-OE2 3.3Å; T21-E150 WeakPolarHBondContact CG2-OE2 3.29Å; T21-E150 PolarHBondContact OG1-OE2 3.42Å; L58-E150 HydrophobicContact CB-CG 4.45Å; K59-E150 WeakPolarHBondContact O-CA 3.14Å; R60-E150 HydrophobicContact CB-CB 4.08Å; R60-E150 HydrophobicContact CB-CG 4.12Å; R60-E150 HydrophobicContact CG-CB 4.06Å; L99-E150 CarbonylContact C-O 3.52Å; L99-E150 WeakPolarHBondContact CA-O 3.24Å; T100-E150 PolarHBondContact N-O 3.12Å; T100-E150 PolarHBondContact O-N 2.81Å; T100-E150 VanDerWaalsContact O-O 3.13Å |
| 151 | H | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 166.8 | 176.7 | 70 | 170.1 | 0 | 0 | 0 | 112.3 | K59 D85 Y97 Q98 L99 F149 V167 S170 | K59-H151 WeakPolarHBondContact CE-NE2 3.43Å; K59-H151 PolarHBondContact N-O 2.84Å; K59-H151 PolarHBondContact NZ-NE2 3.42Å; K59-H151 PolarHBondContact O-N 3.47Å; K59-H151 VanDerWaalsContact O-N 3.08Å; D85-H151 IonicContact OD1-CE1 2.86Å; D85-H151 IonicContact OD1-ND1 3.27Å; D85-H151 IonicContact OD2-CE1 3.75Å; D85-H151 IonicContact OD2-CG 3.01Å; D85-H151 IonicContact OD2-ND1 2.96Å; D85-H151 PolarHBondContact OD2-ND1 3.13Å; Y97-H151 HydrophobicContact CE2-CB 4.32Å; Q98-H151 CarbonylContact O-C 3.52Å; Q98-H151 VanDerWaalsContact O-CA 3.26Å; Q98-H151 WeakPolarHBondContact O-CA 3.39Å; L99-H151 HydrophobicContact CD1-CB 3.81Å; F149-H151 HydrophobicContact CE1-CB 4.28Å; F149-H151 AromaticContact CE1-CG 3.86Å; F149-H151 AromaticContact CE1-ND1 3.78Å; H151-V167 VanDerWaalsContact CE1-CG2 3.44Å; H151-V167 WeakPolarHBondContact CE1-CG2 3.48Å; H151-S170 PolarHBondContact CE1-OG 3.3Å; H151-S170 VanDerWaalsContact CE1-OG 3.31Å |
| 152 | G | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.2 | -147.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C57 Y97 Q98 | C57-G152 CarbonylContact O-C 3.54Å; C57-G152 WeakPolarHBondContact O-CA 3.39Å; Y97-G152 WeakPolarHBondContact CA-O 3.29Å; Q98-G152 PolarHBondContact N-O 2.87Å; Q98-G152 PolarHBondContact O-N 2.88Å |
| 153 | G | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.2 | -158.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.4 | T52 C57 T96 | T52-G153 VanDerWaalsContact CB-O 3.31Å; T52-G153 WeakPolarHBondContact CB-O 3.48Å; T52-G153 WeakPolarHBondContact CG2-O 3.26Å; T52-G153 PolarHBondContact OG1-O 3.31Å; C57-G153 PolarHBondContact N-O 2.83Å; C57-G153 PolarHBondContact O-N 3.47Å; T96-G153 VanDerWaalsContact O-CA 3.31Å; T96-G153 WeakPolarHBondContact O-CA 3.32Å |
| 154 | Q | 96.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 42 Ų | 42 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 171.4 | -175.3 | 55.1 | 171 | 75.5 | 0 | 0 | 111.3 | S53 C95 T96 | S53-Q154 CarbonylContact O-C 3.54Å; S53-Q154 WeakPolarHBondContact O-CA 3.43Å; C95-Q154 CarbonylContact C-O 3.55Å; C95-Q154 VanDerWaalsContact CA-O 3.29Å; C95-Q154 WeakPolarHBondContact CA-O 3.21Å; C95-Q154 WeakPolarHBondContact CB-O 3.29Å; T96-Q154 PolarHBondContact N-O 3.05Å; T96-Q154 PolarHBondContact O-N 2.73Å; T96-Q154 WeakPolarHBondContact OG1-CG 3.3Å; T96-Q154 PolarHBondContact OG1-O 2.95Å |
| 155 | D | 95 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 169.4 | 168.7 | 88.4 | 15.5 | 0 | 0 | 0 | 112.7 | S53 F54 K157 Y158 W159 F163 | S53-D155 PolarHBondContact O-N 2.78Å; F54-D155 VanDerWaalsContact CA-CG 3.46Å; F54-D155 VanDerWaalsContact CB-OD2 3.24Å; F54-D155 WeakPolarHBondContact CB-OD2 3.3Å; D155-K157 PolarHBondContact OD1-N 3.33Å; D155-Y158 VanDerWaalsContact OD1-CA 3.29Å; D155-Y158 WeakPolarHBondContact OD1-CA 3.02Å; D155-Y158 PolarHBondContact OD1-N 2.98Å; D155-Y158 PolarHBondContact OD2-N 2.95Å; D155-W159 PolarHBondContact OD2-N 3.01Å; D155-F163 HydrophobicContact CB-CB 4.11Å |
| 156 | T | 92.9 | Very high | 95.6 | Very high | 63 Ų | 63 | 38.2 Ų | 38.2 | 39% | 0.387 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -107.1 | -9.4 | 172.8 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | G94 T96 T120 | G94-T156 WeakPolarHBondContact CA-OG1 3.47Å; G94-T156 PolarHBondContact O-N 2.86Å; G94-T156 PolarHBondContact O-OG1 3.28Å; G94-T156 VanDerWaalsContact O-OG1 3.11Å; T96-T156 HydrophobicContact CG2-CG2 3.96Å; T120-T156 HydrophobicContact CG2-CG2 4.23Å |
| 157 | K | 91.3 | Very high | 95.6 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 36% | 0.357 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -105.5 | -4.1 | -173.7 | -63.9 | -170.8 | -179.7 | 173.7 | 0 | 114.2 | D92 C93 D155 W159 | D92-K157 PolarHBondContact O-NZ 3.24Å; C93-K157 HydrophobicContact CB-CD 4.39Å; D155-K157 PolarHBondContact OD1-N 3.33Å; K157-W159 VanDerWaalsContact C-N 3.35Å; K157-W159 HydrophobicContact CB-CD2 4.09Å; K157-W159 HydrophobicContact CB-CG 4.04Å; K157-W159 HydrophobicContact CD-CD2 4.36Å; K157-W159 HydrophobicContact CD-CH2 3.95Å; K157-W159 HydrophobicContact CD-CZ2 3.69Å; K157-W159 HydrophobicContact CD-CZ3 4.37Å; K157-W159 VanDerWaalsContact O-CD1 3.28Å |
| 158 | Y | 92.5 | Very high | 95.6 | Very high | 157 Ų | 157 | 36.5 Ų | 36.5 | 62% | 0.616 | 17% | 0.168 | S | C | * | . | trans | 54.4 | 47 | -175.2 | -75.9 | -100.2 | 0 | 0 | 0 | 112.8 | F54 D155 | F54-Y158 HydrophobicContact CD2-CD1 4.41Å; D155-Y158 VanDerWaalsContact OD1-CA 3.29Å; D155-Y158 WeakPolarHBondContact OD1-CA 3.02Å; D155-Y158 PolarHBondContact OD1-N 2.98Å; D155-Y158 PolarHBondContact OD2-N 2.95Å | ||
| 159 | W | 90.2 | Very high | 95.3 | Very high | 109 Ų | 109 | 36.7 Ų | 36.7 | 41% | 0.413 | 17% | 0.172 | S | C | . | . | trans | -95 | 124.5 | -179.8 | -74.5 | 2.4 | 0 | 0 | 0 | 110.5 | C93 D155 K157 G161 F163 | C93-W159 HydrophobicContact CB-CE3 4.22Å; C93-W159 HydrophobicContact CB-CZ3 4.25Å; D155-W159 PolarHBondContact OD2-N 3.01Å; K157-W159 VanDerWaalsContact C-N 3.35Å; K157-W159 HydrophobicContact CB-CD2 4.09Å; K157-W159 HydrophobicContact CB-CG 4.04Å; K157-W159 HydrophobicContact CD-CD2 4.36Å; K157-W159 HydrophobicContact CD-CH2 3.95Å; K157-W159 HydrophobicContact CD-CZ2 3.69Å; K157-W159 HydrophobicContact CD-CZ3 4.37Å; K157-W159 VanDerWaalsContact O-CD1 3.28Å; W159-G161 PolarHBondContact O-N 3.11Å; W159-F163 HydrophobicContact CB-CB 4.5Å; W159-F163 HydrophobicContact CB-CD2 3.71Å; W159-F163 HydrophobicContact CB-CE2 4.13Å; W159-F163 HydrophobicContact CB-CG 4.13Å; W159-F163 AromaticContact CE3-CD1 3.92Å; W159-F163 HydrophobicContact CE3-CD1 3.92Å; W159-F163 AromaticContact CE3-CE1 3.98Å; W159-F163 HydrophobicContact CE3-CE1 3.98Å; W159-F163 HydrophobicContact CE3-CG 4.25Å; W159-F163 HydrophobicContact CE3-CZ 4.35Å; W159-F163 HydrophobicContact CZ3-CE1 4.46Å | ||
| 160 | D | 93.4 | Very high | 95.2 | Very high | 122 Ų | 122 | 36.7 Ų | 36.7 | 65% | 0.652 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -59.9 | 130.2 | 178.1 | -174.1 | 26.7 | 0 | 0 | 0 | 111.3 | S26 F54 F163 | S26-D160 PolarHBondContact OG-OD1 2.8Å; F54-D160 HydrophobicContact CE1-CB 4.38Å; F54-D160 WeakPolarHBondContact CE1-OD1 3.4Å; D160-F163 WeakPolarHBondContact O-CE2 3.38Å |
| 161 | G | 93.4 | Very high | 95.1 | Very high | 10 Ų | 10 | 36 Ų | 36 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 117.6 | -152.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113 | S53 W159 | S53-G161 WeakPolarHBondContact CA-O 3.28Å; S53-G161 WeakPolarHBondContact CB-O 3.47Å; S53-G161 PolarHBondContact OG-O 3.18Å; W159-G161 PolarHBondContact O-N 3.11Å |
| 162 | W | 95.8 | Very high | 95.1 | Very high | 82 Ų | 82 | 35.9 Ų | 35.9 | 31% | 0.311 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -114.3 | 71 | -172.3 | -61.5 | -83.5 | 0 | 0 | 0 | 110.9 | S26 Q27 Q29 T52 | S26-W162 WeakPolarHBondContact O-CZ2 3.43Å; S26-W162 PolarHBondContact O-NE1 2.84Å; Q27-W162 PolarHBondContact O-NE1 3Å; Q29-W162 HydrophobicContact CB-CD2 4.1Å; Q29-W162 HydrophobicContact CB-CG 4.02Å; Q29-W162 HydrophobicContact CB-CZ2 4.24Å; Q29-W162 VanDerWaalsContact CB-NE1 3.3Å; Q29-W162 VanDerWaalsContact OE1-CE2 3.23Å; T52-W162 WeakPolarHBondContact O-CA 3.12Å |
| 163 | F | 93.9 | Very high | 95 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 18% | 0.18 | 18% | 0.183 | C | C | . | . | trans | -105.4 | 3 | 179.1 | -65.1 | -84.8 | 0 | 0 | 0 | 113.3 | C93 D155 W159 D160 | C93-F163 HydrophobicContact CB-CB 3.96Å; C93-F163 HydrophobicContact CB-CD1 4Å; C93-F163 HydrophobicContact CB-CG 4.39Å; D155-F163 HydrophobicContact CB-CB 4.11Å; W159-F163 HydrophobicContact CB-CB 4.5Å; W159-F163 HydrophobicContact CB-CD2 3.71Å; W159-F163 HydrophobicContact CB-CE2 4.13Å; W159-F163 HydrophobicContact CB-CG 4.13Å; W159-F163 AromaticContact CE3-CD1 3.92Å; W159-F163 HydrophobicContact CE3-CD1 3.92Å; W159-F163 AromaticContact CE3-CE1 3.98Å; W159-F163 HydrophobicContact CE3-CE1 3.98Å; W159-F163 HydrophobicContact CE3-CG 4.25Å; W159-F163 HydrophobicContact CE3-CZ 4.35Å; W159-F163 HydrophobicContact CZ3-CE1 4.46Å; D160-F163 WeakPolarHBondContact O-CE2 3.38Å | ||
| 164 | G | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -78.4 | -163.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | T52 | T52-G164 WeakPolarHBondContact O-CA 3.47Å; T52-G164 PolarHBondContact O-N 3.41Å; T52-G164 WeakPolarHBondContact OG1-CA 3.46Å |
| 165 | V | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -69.9 | 143.4 | -179.7 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | T52 S88 C95 T96 Y97 V167 | T52-V165 HydrophobicContact CG2-CG1 3.85Å; T52-V165 PolarHBondContact N-O 3.07Å; T52-V165 PolarHBondContact OG1-N 3.31Å; T52-V165 PolarHBondContact OG1-O 3.26Å; S88-V165 WeakPolarHBondContact O-CG2 3.49Å; C95-V165 HydrophobicContact CB-CB 4.29Å; T96-V165 WeakPolarHBondContact O-CB 3.31Å; T96-V165 WeakPolarHBondContact O-CG1 3.4Å; Y97-V165 HydrophobicContact CD2-CG2 3.97Å; Y97-V165 HydrophobicContact CG-CG2 4.32Å; V165-V167 HydrophobicContact CG2-CG1 4.15Å | ||
| 166 | R | 96.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.1 | 171.9 | -65 | 171.6 | 170.4 | 165.2 | -8.7 | 109.5 | D36 Y49 F50 Y87 S88 R90 W130 | D36-R166 PolarHBondContact O-NH1 3.49Å; D36-R166 PolarHBondContact O-NH2 3Å; Y49-R166 HydrophobicContact CD2-CB 3.84Å; Y49-R166 HydrophobicContact CD2-CG 3.79Å; Y49-R166 HydrophobicContact CE2-CB 4.21Å; Y49-R166 HydrophobicContact CE2-CG 3.66Å; F50-R166 CarbonylContact O-C 3.58Å; F50-R166 WeakPolarHBondContact O-CA 3.25Å; Y87-R166 CarbonylContact C-O 3.56Å; Y87-R166 WeakPolarHBondContact CA-O 3.04Å; S88-R166 PolarHBondContact N-O 2.81Å; S88-R166 PolarHBondContact O-N 3.49Å; S88-R166 WeakPolarHBondContact OG-CB 3.43Å; R90-R166 VanDerWaalsContact CG-CZ 3.43Å; W130-R166 HydrophobicContact CH2-CB 3.91Å; W130-R166 HydrophobicContact CZ2-CB 4.47Å; W130-R166 HydrophobicContact CZ3-CB 4.47Å |
| 167 | V | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.9 | 179.2 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | W28 F50 W86 Y97 H151 V165 | W28-V167 HydrophobicContact CH2-CG2 4.07Å; W28-V167 HydrophobicContact CZ3-CG2 3.98Å; F50-V167 HydrophobicContact CB-CG2 3.85Å; F50-V167 HydrophobicContact CD2-CG2 4.34Å; F50-V167 WeakPolarHBondContact CD2-O 3.37Å; F50-V167 PolarHBondContact N-O 2.8Å; F50-V167 PolarHBondContact O-N 2.85Å; W86-V167 VanDerWaalsContact O-CA 3.24Å; W86-V167 WeakPolarHBondContact O-CA 3.37Å; Y97-V167 HydrophobicContact CD2-CG1 4.05Å; Y97-V167 HydrophobicContact CE2-CG1 3.86Å; H151-V167 VanDerWaalsContact CE1-CG2 3.44Å; H151-V167 WeakPolarHBondContact CE1-CG2 3.48Å; V165-V167 HydrophobicContact CG2-CG1 4.15Å |
| 168 | T | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 175.3 | 176.7 | -163.4 | 0 | 0 | 0 | 0 | 111 | A10 F41 V46 K48 W86 W130 S170 | A10-T168 WeakPolarHBondContact CA-OG1 3.44Å; F41-T168 HydrophobicContact CD2-CG2 4Å; F41-T168 HydrophobicContact CE2-CG2 3.87Å; F41-T168 HydrophobicContact CZ-CG2 4.47Å; V46-T168 HydrophobicContact CG1-CG2 3.87Å; V46-T168 WeakPolarHBondContact CG1-OG1 3.29Å; K48-T168 PolarHBondContact O-OG1 2.86Å; W86-T168 WeakPolarHBondContact CB-O 3.48Å; W86-T168 PolarHBondContact N-O 2.97Å; W86-T168 PolarHBondContact O-N 3.22Å; W130-T168 HydrophobicContact CE3-CG2 4.35Å; W130-T168 HydrophobicContact CH2-CG2 3.62Å; W130-T168 HydrophobicContact CZ2-CG2 4.26Å; W130-T168 HydrophobicContact CZ3-CG2 3.67Å; T168-S170 PolarHBondContact O-N 3.4Å; T168-S170 VanDerWaalsContact O-N 3.11Å |
| 169 | G | 93.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.7 | 23.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P9 | P9-G169 PolarHBondContact O-N 2.86Å |
| 170 | S | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 139.6 | 179.8 | -43.9 | 0 | 0 | 0 | 0 | 110.8 | N4 P9 A84 D85 H151 T168 | N4-S170 PolarHBondContact ND2-O 2.64Å; P9-S170 WeakPolarHBondContact CB-O 3.3Å; A84-S170 CarbonylContact O-C 3.46Å; A84-S170 WeakPolarHBondContact O-CA 3.48Å; D85-S170 WeakPolarHBondContact OD1-CA 3.1Å; D85-S170 VanDerWaalsContact OD1-CB 3.27Å; D85-S170 WeakPolarHBondContact OD1-CB 3.36Å; D85-S170 PolarHBondContact OD1-OG 3.32Å; H151-S170 PolarHBondContact CE1-OG 3.3Å; H151-S170 VanDerWaalsContact CE1-OG 3.31Å; T168-S170 PolarHBondContact O-N 3.4Å; T168-S170 VanDerWaalsContact O-N 3.11Å |
| 171 | S | 96.4 | Very high | 94.1 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 145.8 | 178 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | N4 V83 A84 | N4-S171 WeakPolarHBondContact OD1-CA 3.49Å; V83-S171 VanDerWaalsContact CA-O 3.28Å; V83-S171 WeakPolarHBondContact CA-O 3.49Å; A84-S171 PolarHBondContact N-O 2.92Å; A84-S171 PolarHBondContact O-N 2.95Å |
| 172 | V | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 123.1 | 168.6 | 174.6 | 0 | 0 | 0 | 0 | 107.1 | N4 L5 L6 V81 S82 V83 I147 F149 | N4-V172 WeakPolarHBondContact CA-O 2.88Å; N4-V172 PolarHBondContact OD1-N 2.94Å; N4-V172 PolarHBondContact OD1-O 2.74Å; L5-V172 HydrophobicContact CB-CB 4.48Å; L5-V172 HydrophobicContact CD1-CG1 4.46Å; L5-V172 PolarHBondContact N-O 3.26Å; L6-V172 HydrophobicContact CD1-CG2 3.83Å; L6-V172 HydrophobicContact CD2-CG2 3.99Å; L6-V172 HydrophobicContact CG-CB 4.09Å; L6-V172 HydrophobicContact CG-CG2 3.69Å; V81-V172 HydrophobicContact CG1-CG1 4.24Å; S82-V172 WeakPolarHBondContact O-CA 3.28Å; V83-V172 HydrophobicContact CB-CG2 4.5Å; V83-V172 HydrophobicContact CG1-CB 4.41Å; V83-V172 HydrophobicContact CG1-CG1 4.29Å; V83-V172 HydrophobicContact CG1-CG2 3.84Å; I147-V172 HydrophobicContact CD1-CG1 3.63Å; I147-V172 HydrophobicContact CG2-CG1 4.12Å; F149-V172 HydrophobicContact CB-CG2 4.47Å; F149-V172 HydrophobicContact CD2-CG2 3.87Å; F149-V172 HydrophobicContact CG-CG2 4.47Å |
| 173 | I | 96.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 26.8 Ų | 26.8 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.2 | -176.7 | -61.9 | 175.4 | 0 | 0 | 0 | 108.1 | A2 V81 S82 | A2-I173 HydrophobicContact CB-CG2 3.62Å; V81-I173 CarbonylContact C-O 3.59Å; V81-I173 WeakPolarHBondContact CA-O 3.49Å; S82-I173 PolarHBondContact N-O 3.24Å; S82-I173 PolarHBondContact O-N 2.93Å |
| 174 | V | 94.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.3 | 174 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | L5 L65 Y70 P79 V81 I147 T176 | L5-V174 HydrophobicContact CD1-CB 4.48Å; L5-V174 HydrophobicContact CD1-CG2 3.66Å; L65-V174 HydrophobicContact CD2-CG2 3.89Å; Y70-V174 HydrophobicContact CD1-CG1 4.44Å; Y70-V174 HydrophobicContact CE1-CB 3.89Å; Y70-V174 HydrophobicContact CE1-CG1 3.94Å; P79-V174 HydrophobicContact CB-CG1 3.77Å; P79-V174 HydrophobicContact CG-CG1 3.49Å; P79-V174 VanDerWaalsContact CG-CG1 3.49Å; V81-V174 HydrophobicContact CG1-CG2 4.38Å; V81-V174 HydrophobicContact CG2-CG1 4.46Å; V81-V174 HydrophobicContact CG2-CG2 4.19Å; I147-V174 HydrophobicContact CD1-CG2 4.02Å; V174-T176 HydrophobicContact CG1-CG2 4.07Å; V174-T176 PolarHBondContact O-N 2.98Å |
| 175 | E | 89.1 | Confident | 94 | Very high | 116 Ų | 116 | 27.8 Ų | 27.8 | 54% | 0.542 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 84 | -178.5 | -59.2 | -170.2 | 156.1 | 0 | 0 | 110.6 | P79 A80 | P79-E175 WeakPolarHBondContact CB-O 3.35Å; A80-E175 HydrophobicContact CB-CB 4.28Å; A80-E175 PolarHBondContact O-N 3.04Å |
| 176 | T | 76.7 | Confident | 93.7 | Very high | 123 Ų | 123 | 30.4 Ų | 30.4 | 76% | 0.755 | 18% | 0.175 | S | C | * | . | trans | -95.4 | 0 | 170.9 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | Y70 D74 P79 V174 | Y70-T176 HydrophobicContact CD1-CG2 3.63Å; Y70-T176 HydrophobicContact CE1-CG2 3.65Å; D74-T176 HydrophobicContact CB-CG2 4.1Å; P79-T176 HydrophobicContact CB-CG2 3.88Å; P79-T176 HydrophobicContact CG-CG2 3.95Å; V174-T176 HydrophobicContact CG1-CG2 4.07Å; V174-T176 PolarHBondContact O-N 2.98Å |
Retrieved 176 of 176 residues in 1088.6 ms
(Link to these results)