| 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 | F | 65.9 | Low | 93.7 | Very high | 128 Ų | 128 | 55 Ų | 55 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | 0 | -27.8 | 0 | 70.4 | -96.5 | 0 | 0 | 0 | 114.8 | A3 F152 V157 | F1-A3 VanDerWaalsContact C-N 3.32Å; F1-A3 PolarHBondContact O-N 3.33Å; F1-F152 HydrophobicContact CB-CB 4.38Å; F1-F152 HydrophobicContact CB-CD1 3.55Å; F1-F152 HydrophobicContact CB-CE1 3.94Å; F1-F152 HydrophobicContact CB-CG 4Å; F1-V157 HydrophobicContact CB-CG2 4.44Å | |||
| 2 | R | 86.2 | Confident | 94.1 | Very high | 201 Ų | 201 | 55.9 Ų | 55.9 | 76% | 0.758 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -31.4 | -179.2 | -67.7 | -174.3 | 179.9 | -174.9 | -0.5 | 114.4 | F4 | R2-F4 VanDerWaalsContact C-N 3.33Å; R2-F4 PolarHBondContact O-N 2.78Å |
| 3 | A | 94.8 | Very high | 94.3 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F1 L40 E41 A45 | F1-A3 VanDerWaalsContact C-N 3.32Å; F1-A3 PolarHBondContact O-N 3.33Å; A3-L40 PolarHBondContact O-N 2.82Å; A3-E41 VanDerWaalsContact CA-OE1 3.28Å; A3-E41 WeakPolarHBondContact CA-OE1 3.38Å; A3-E41 HydrophobicContact CB-CG 3.47Å; A3-E41 VanDerWaalsContact CB-CG 3.47Å; A3-A45 HydrophobicContact CB-CB 4.1Å |
| 4 | F | 97.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.4 | -174.6 | -65.9 | -85.1 | 0 | 0 | 0 | 111.8 | R2 L37 R38 C39 A45 E47 L48 F96 C100 L106 F152 | R2-F4 VanDerWaalsContact C-N 3.33Å; R2-F4 PolarHBondContact O-N 2.78Å; F4-L37 HydrophobicContact CB-CD2 4.2Å; F4-L37 HydrophobicContact CD1-CB 4.2Å; F4-R38 CarbonylContact C-O 3.57Å; F4-R38 VanDerWaalsContact CA-O 3.28Å; F4-R38 WeakPolarHBondContact CA-O 3.18Å; F4-C39 HydrophobicContact CD1-CB 4.18Å; F4-C39 HydrophobicContact CE1-CB 3.82Å; F4-A45 HydrophobicContact CE1-CB 4.4Å; F4-A45 HydrophobicContact CE2-CB 3.58Å; F4-A45 HydrophobicContact CZ-CB 3.42Å; F4-A45 VanDerWaalsContact CZ-CB 3.42Å; F4-E47 WeakPolarHBondContact CE2-O 3.33Å; F4-L48 HydrophobicContact CB-CD1 4.34Å; F4-L48 HydrophobicContact CD2-CD1 3.79Å; F4-L48 HydrophobicContact CE2-CB 4.35Å; F4-L48 HydrophobicContact CE2-CD1 4.41Å; F4-L48 HydrophobicContact CG-CD1 4.14Å; F4-F96 HydrophobicContact CE1-CE2 4.21Å; F4-F96 HydrophobicContact CE2-CE2 4.07Å; F4-F96 HydrophobicContact CZ-CD2 4.33Å; F4-F96 AromaticContact CZ-CE2 3.51Å; F4-F96 HydrophobicContact CZ-CE2 3.51Å; F4-F96 HydrophobicContact CZ-CZ 4.35Å; F4-C100 HydrophobicContact CE1-CB 4.18Å; F4-C100 HydrophobicContact CZ-CB 4.33Å; F4-L106 HydrophobicContact CD1-CD2 4.38Å; F4-L106 HydrophobicContact CE1-CD1 4.46Å; F4-L106 HydrophobicContact CE1-CD2 4.1Å; F4-F152 HydrophobicContact CB-CZ 4.12Å |
| 5 | E | 97.2 | Very high | 94.2 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.9 | 163.7 | -178.3 | -173.4 | -158.4 | 0 | 0 | 108.8 | L7 L37 R38 L40 | E5-L7 VanDerWaalsContact CD-CD2 3.47Å; E5-L7 HydrophobicContact CG-CD2 3.89Å; E5-L7 WeakPolarHBondContact OE2-CD2 3.28Å; E5-L37 CarbonylContact O-C 3.56Å; E5-L37 VanDerWaalsContact O-CA 3.28Å; E5-L37 WeakPolarHBondContact O-CA 3.32Å; E5-R38 HydrophobicContact CB-CB 4.23Å; E5-R38 PolarHBondContact N-O 2.85Å; E5-R38 PolarHBondContact O-N 3.36Å; E5-R38 IonicContact OE2-CZ 3.44Å; E5-R38 IonicContact OE2-NE 2.78Å; E5-R38 PolarHBondContact OE2-NE 2.86Å; E5-R38 IonicContact OE2-NH2 3.33Å; E5-R38 PolarHBondContact OE2-NH2 3.3Å; E5-L40 HydrophobicContact CB-CD1 4.07Å; E5-L40 HydrophobicContact CB-CD2 4.08Å; E5-L40 HydrophobicContact CB-CG 4.19Å |
| 6 | L | 97.7 | Very high | 94.1 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.4 | 169.4 | -178.4 | 58.6 | 0 | 0 | 0 | 109.2 | H8 L35 D36 L37 F152 Y159 | L6-H8 VanDerWaalsContact CD1-O 3.3Å; L6-H8 WeakPolarHBondContact CD1-O 3.42Å; L6-L35 HydrophobicContact CD1-CB 3.82Å; L6-L35 HydrophobicContact CD1-CD2 4.12Å; L6-L35 HydrophobicContact CD1-CG 4.23Å; L6-D36 WeakPolarHBondContact CD1-O 3.42Å; L6-L37 HydrophobicContact CB-CD2 4.24Å; L6-L37 HydrophobicContact CD1-CD2 3.84Å; L6-F152 HydrophobicContact CB-CD2 3.97Å; L6-F152 HydrophobicContact CB-CE2 3.94Å; L6-F152 HydrophobicContact CD2-CD2 4.38Å; L6-Y159 HydrophobicContact CB-CD1 4.41Å; L6-Y159 HydrophobicContact CB-CG 4.45Å; L6-Y159 HydrophobicContact CD2-CD1 3.6Å; L6-Y159 HydrophobicContact CD2-CD2 3.68Å; L6-Y159 HydrophobicContact CD2-CE1 3.75Å; L6-Y159 HydrophobicContact CD2-CE2 3.83Å; L6-Y159 HydrophobicContact CD2-CG 3.55Å; L6-Y159 HydrophobicContact CG-CD1 4.19Å; L6-Y159 HydrophobicContact CG-CD2 4.25Å; L6-Y159 HydrophobicContact CG-CG 3.89Å; L6-Y159 WeakPolarHBondContact O-CB 3.31Å |
| 7 | L | 97.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 54.7 Ų | 54.7 | 19% | 0.194 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -43.7 | -178.3 | -56.5 | 178 | 0 | 0 | 0 | 111.1 | E5 D36 R38 R105 | E5-L7 VanDerWaalsContact CD-CD2 3.47Å; E5-L7 HydrophobicContact CG-CD2 3.89Å; E5-L7 WeakPolarHBondContact OE2-CD2 3.28Å; L7-D36 HydrophobicContact CB-CB 4.12Å; L7-D36 WeakPolarHBondContact CB-O 3.41Å; L7-D36 PolarHBondContact N-O 3.37Å; L7-R38 HydrophobicContact CD1-CB 4.28Å; L7-R38 HydrophobicContact CD2-CB 4.39Å; L7-R38 VanDerWaalsContact CD2-NH2 3.31Å; L7-R38 HydrophobicContact CG-CB 4.45Å; L7-R105 HydrophobicContact CD1-CG 4.49Å |
| 8 | H | 98.4 | Very high | 93.7 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 149.5 | 179.7 | -159.9 | 96.6 | 0 | 0 | 0 | 110.8 | L6 H10 D36 K160 S162 | L6-H8 VanDerWaalsContact CD1-O 3.3Å; L6-H8 WeakPolarHBondContact CD1-O 3.42Å; H8-H10 AromaticContact CD2-CD2 3.64Å; H8-H10 AromaticContact CD2-CE1 3.19Å; H8-H10 PolarHBondContact CD2-CE1 3.44Å; H8-H10 AromaticContact CD2-CG 3.8Å; H8-H10 AromaticContact CD2-ND1 3.54Å; H8-H10 AromaticContact CD2-NE2 3.23Å; H8-H10 PolarHBondContact CD2-NE2 3.22Å; H8-H10 AromaticContact CG-NE2 3.93Å; H8-H10 AromaticContact NE2-CE1 3.43Å; H8-H10 PolarHBondContact NE2-CE1 3.45Å; H8-H10 AromaticContact NE2-ND1 3.62Å; H8-H10 AromaticContact NE2-NE2 3.96Å; H8-D36 HydrophobicContact CB-CB 4.17Å; H8-D36 PolarHBondContact O-N 2.8Å; H8-K160 WeakPolarHBondContact CA-O 3.42Å; H8-K160 WeakPolarHBondContact ND1-CB 3.41Å; H8-S162 PolarHBondContact NE2-N 3Å; H8-S162 PolarHBondContact NE2-OG 3.1Å |
| 9 | L | 98.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.7 | 171.8 | 173.5 | 66.1 | 0 | 0 | 0 | 109.8 | L11 A33 L35 F149 Y159 K160 Y161 S162 | L9-L11 HydrophobicContact CD1-CD2 4.07Å; L9-L11 HydrophobicContact CD2-CD1 4.29Å; L9-L11 HydrophobicContact CD2-CD2 4.13Å; L9-L11 HydrophobicContact CD2-CG 4.14Å; L9-L11 HydrophobicContact CG-CD2 4.11Å; L9-L11 HydrophobicContact CG-CG 4.07Å; L9-A33 HydrophobicContact CD1-CB 4.16Å; L9-L35 HydrophobicContact CD1-CG 4.13Å; L9-F149 HydrophobicContact CD2-CD2 3.66Å; L9-F149 HydrophobicContact CD2-CE2 3.41Å; L9-F149 VanDerWaalsContact CD2-CE2 3.41Å; L9-F149 HydrophobicContact CD2-CG 4.48Å; L9-F149 HydrophobicContact CD2-CZ 4.07Å; L9-Y159 HydrophobicContact CB-CD2 4.11Å; L9-Y159 HydrophobicContact CB-CE2 4.13Å; L9-Y159 HydrophobicContact CD2-CE2 3.99Å; L9-K160 PolarHBondContact N-O 3.12Å; L9-Y161 CarbonylContact O-C 3.48Å; L9-Y161 WeakPolarHBondContact O-CA 3.16Å; L9-Y161 VanDerWaalsContact O-CB 3.32Å; L9-Y161 WeakPolarHBondContact O-CB 3.36Å; L9-S162 PolarHBondContact O-N 2.67Å |
| 10 | H | 98.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.4 | 170 | -54 | -87.7 | 0 | 0 | 0 | 109.4 | H8 A33 V34 D36 S162 | H8-H10 AromaticContact CD2-CD2 3.64Å; H8-H10 AromaticContact CD2-CE1 3.19Å; H8-H10 PolarHBondContact CD2-CE1 3.44Å; H8-H10 AromaticContact CD2-CG 3.8Å; H8-H10 AromaticContact CD2-ND1 3.54Å; H8-H10 AromaticContact CD2-NE2 3.23Å; H8-H10 PolarHBondContact CD2-NE2 3.22Å; H8-H10 AromaticContact CG-NE2 3.93Å; H8-H10 AromaticContact NE2-CE1 3.43Å; H8-H10 PolarHBondContact NE2-CE1 3.45Å; H8-H10 AromaticContact NE2-ND1 3.62Å; H8-H10 AromaticContact NE2-NE2 3.96Å; H10-A33 CarbonylContact O-C 3.49Å; H10-A33 WeakPolarHBondContact O-CA 3.42Å; H10-V34 HydrophobicContact CB-CB 4.17Å; H10-V34 PolarHBondContact N-O 3.21Å; H10-V34 PolarHBondContact O-N 3.39Å; H10-D36 IonicContact NE2-OD2 3.49Å; H10-S162 WeakPolarHBondContact CA-O 3.04Å; H10-S162 PolarHBondContact ND1-OG 3.15Å |
| 11 | L | 98.4 | Very high | 92.8 | Very high | 12 Ų | 12 | 55.5 Ų | 55.5 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.6 | 173.7 | -64.1 | 175.7 | 0 | 0 | 0 | 109.1 | L9 L13 A33 F149 S162 A163 L164 | L9-L11 HydrophobicContact CD1-CD2 4.07Å; L9-L11 HydrophobicContact CD2-CD1 4.29Å; L9-L11 HydrophobicContact CD2-CD2 4.13Å; L9-L11 HydrophobicContact CD2-CG 4.14Å; L9-L11 HydrophobicContact CG-CD2 4.11Å; L9-L11 HydrophobicContact CG-CG 4.07Å; L11-L13 HydrophobicContact CB-CD1 4.1Å; L11-L13 HydrophobicContact CB-CG 4.15Å; L11-L13 HydrophobicContact CD1-CD1 4.26Å; L11-A33 HydrophobicContact CD2-CB 3.88Å; L11-F149 HydrophobicContact CD1-CD1 4.26Å; L11-F149 HydrophobicContact CD2-CB 4.19Å; L11-F149 HydrophobicContact CD2-CG 4.34Å; L11-S162 PolarHBondContact N-O 2.85Å; L11-A163 HydrophobicContact CB-CB 4.14Å; L11-A163 CarbonylContact O-C 3.38Å; L11-A163 VanDerWaalsContact O-CA 3.26Å; L11-A163 WeakPolarHBondContact O-CA 3.4Å; L11-L164 PolarHBondContact O-N 3.02Å |
| 12 | D | 98.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.353 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 107 | 168.5 | -174.3 | -5.4 | 0 | 0 | 0 | 107 | G31 T32 L164 | D12-G31 CarbonylContact O-C 3.49Å; D12-G31 VanDerWaalsContact O-CA 3.24Å; D12-G31 WeakPolarHBondContact O-CA 3.08Å; D12-T32 PolarHBondContact N-O 3.23Å; D12-T32 PolarHBondContact O-N 3.43Å; D12-L164 WeakPolarHBondContact CA-O 3.21Å |
| 13 | L | 96.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143 | -165 | -54.6 | 173.9 | 0 | 0 | 0 | 111.8 | L11 S30 Y112 F148 L164 I165 E166 | L11-L13 HydrophobicContact CB-CD1 4.1Å; L11-L13 HydrophobicContact CB-CG 4.15Å; L11-L13 HydrophobicContact CD1-CD1 4.26Å; L13-S30 CarbonylContact C-O 3.58Å; L13-S30 WeakPolarHBondContact CA-O 3.42Å; L13-Y112 HydrophobicContact CD2-CE1 4.1Å; L13-Y112 HydrophobicContact CD2-CE2 4.46Å; L13-Y112 WeakPolarHBondContact CD2-OH 3.31Å; L13-F148 HydrophobicContact CD1-CE2 3.61Å; L13-F148 HydrophobicContact CD1-CZ 3.64Å; L13-L164 PolarHBondContact N-O 2.9Å; L13-I165 HydrophobicContact CB-CD1 3.83Å; L13-I165 HydrophobicContact CD1-CD1 3.9Å; L13-I165 HydrophobicContact CG-CD1 4.22Å; L13-I165 CarbonylContact O-C 3.5Å; L13-I165 VanDerWaalsContact O-CA 3.3Å; L13-I165 WeakPolarHBondContact O-CA 3.48Å; L13-E166 PolarHBondContact O-N 3.24Å |
| 14 | R | 95.1 | Very high | 92.2 | Very high | 113 Ų | 113 | 53.5 Ų | 53.5 | 43% | 0.426 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.3 | 170.9 | -174.5 | 173.5 | -171.4 | -136.2 | 9.4 | 110.2 | E16 L29 S30 E166 | R14-E16 IonicContact CZ-OE1 3.81Å; R14-E16 IonicContact NH1-OE1 2.9Å; R14-E16 PolarHBondContact NH1-OE1 3Å; R14-L29 WeakPolarHBondContact O-CA 3.49Å; R14-S30 PolarHBondContact N-O 3.23Å; R14-S30 PolarHBondContact O-N 3.23Å; R14-S30 VanDerWaalsContact O-N 3.08Å; R14-E166 HydrophobicContact CB-CB 4.31Å; R14-E166 HydrophobicContact CG-CB 4.26Å |
| 15 | A | 93.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F17 L29 E166 P168 | A15-F17 HydrophobicContact CB-CE2 4.14Å; A15-L29 HydrophobicContact CB-CD2 3.69Å; A15-E166 PolarHBondContact N-O 2.67Å; A15-P168 WeakPolarHBondContact O-CD 3.31Å; A15-P168 WeakPolarHBondContact O-CG 3.37Å |
| 16 | E | 92.2 | Very high | 91.1 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.1 | 176.1 | -63.4 | -176.2 | 166.8 | 0 | 0 | 109.3 | R14 R27 G28 W122 | R14-E16 IonicContact CZ-OE1 3.81Å; R14-E16 IonicContact NH1-OE1 2.9Å; R14-E16 PolarHBondContact NH1-OE1 3Å; E16-R27 WeakPolarHBondContact O-CA 3.45Å; E16-R27 WeakPolarHBondContact O-CB 3.45Å; E16-G28 PolarHBondContact N-O 3.22Å; E16-G28 PolarHBondContact O-N 3.42Å; E16-G28 VanDerWaalsContact O-N 3.15Å; E16-W122 WeakPolarHBondContact O-CH2 3.44Å; E16-W122 VanDerWaalsContact O-CZ3 3.29Å; E16-W122 WeakPolarHBondContact O-CZ3 3.38Å |
| 17 | F | 90.4 | Very high | 90.8 | Very high | 81 Ų | 81 | 54.8 Ų | 54.8 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | trans | -104.7 | 78.6 | 179.9 | -68.6 | -87.3 | 0 | 0 | 0 | 110.1 | A15 W122 P134 V136 P168 | A15-F17 HydrophobicContact CB-CE2 4.14Å; F17-W122 HydrophobicContact CD1-CE3 4.14Å; F17-W122 AromaticContact CD1-CZ3 3.98Å; F17-W122 HydrophobicContact CD1-CZ3 3.98Å; F17-W122 HydrophobicContact CE1-CE3 4.2Å; F17-W122 AromaticContact CE1-CZ3 4Å; F17-W122 HydrophobicContact CE1-CZ3 4Å; F17-W122 HydrophobicContact CG-CZ3 4.48Å; F17-W122 HydrophobicContact CZ-CZ3 4.49Å; F17-P134 HydrophobicContact CB-CG 3.9Å; F17-P134 HydrophobicContact CD1-CB 3.59Å; F17-P134 HydrophobicContact CD1-CG 3.4Å; F17-P134 VanDerWaalsContact CD1-CG 3.4Å; F17-P134 HydrophobicContact CE1-CB 4.11Å; F17-P134 HydrophobicContact CE1-CG 4.02Å; F17-P134 HydrophobicContact CG-CB 4.39Å; F17-P134 HydrophobicContact CG-CG 3.75Å; F17-V136 HydrophobicContact CE1-CB 3.99Å; F17-V136 HydrophobicContact CE1-CG1 4.01Å; F17-V136 HydrophobicContact CZ-CB 4.22Å; F17-V136 HydrophobicContact CZ-CG1 3.71Å; F17-P168 HydrophobicContact CD2-CG 3.91Å | ||
| 18 | G | 89.6 | Confident | 90.6 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | trans | -106.6 | -176.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G25 R27 | G18-G25 WeakPolarHBondContact CA-O 3.28Å; G18-R27 WeakPolarHBondContact O-CB 3.35Å | ||
| 19 | P | 89.1 | Confident | 90.4 | Very high | 90 Ų | 90 | 52.3 Ų | 52.3 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | trans | -62.6 | 156.1 | 164.6 | 28.4 | -34.9 | 0 | 0 | 0 | 111.3 | G25 S26 R27 | P19-G25 WeakPolarHBondContact CD-O 3.17Å; P19-S26 VanDerWaalsContact O-CA 3.31Å; P19-S26 WeakPolarHBondContact O-CA 3.35Å; P19-S26 WeakPolarHBondContact O-CB 3.48Å; P19-R27 PolarHBondContact O-N 2.99Å | ||
| 20 | P | 87.5 | Confident | 90.3 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -65.9 | 148.5 | 170.1 | 28.3 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 21 | G | 85.7 | Confident | 90.2 | Very high | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 126 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S26 | G21-S26 WeakPolarHBondContact O-CB 3.28Å; G21-S26 PolarHBondContact O-OG 2.77Å |
| 22 | P | 78.3 | Confident | 90.2 | Very high | 140 Ų | 140 | 52.8 Ų | 52.8 | 91% | 0.909 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -79.2 | 138 | 176.5 | 31.7 | -32.6 | 0 | 0 | 0 | 110.8 | ||
| 23 | G | 77.2 | Confident | 90.3 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 54% | 0.536 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 137 | 172.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G25 S26 | G23-G25 PolarHBondContact O-N 2.91Å; G23-S26 WeakPolarHBondContact O-CB 2.92Å; G23-S26 PolarHBondContact O-N 2.89Å; G23-S26 PolarHBondContact O-OG 2.93Å |
| 24 | A | 78.8 | Confident | 90.4 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 95% | 0.95 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 133.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S26 | A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 2.82Å |
| 25 | G | 82.6 | Confident | 90.5 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 6.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G18 P19 G23 | G18-G25 WeakPolarHBondContact CA-O 3.28Å; P19-G25 WeakPolarHBondContact CD-O 3.17Å; G23-G25 PolarHBondContact O-N 2.91Å |
| 26 | S | 89.1 | Confident | 90.7 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | trans | -70.6 | 161.3 | 166.9 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | P19 G21 G23 A24 | P19-S26 VanDerWaalsContact O-CA 3.31Å; P19-S26 WeakPolarHBondContact O-CA 3.35Å; P19-S26 WeakPolarHBondContact O-CB 3.48Å; G21-S26 WeakPolarHBondContact O-CB 3.28Å; G21-S26 PolarHBondContact O-OG 2.77Å; G23-S26 WeakPolarHBondContact O-CB 2.92Å; G23-S26 PolarHBondContact O-N 2.89Å; G23-S26 PolarHBondContact O-OG 2.93Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 2.82Å | ||
| 27 | R | 91.6 | Very high | 91 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 18% | 0.177 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -69.2 | 143.9 | 172.9 | 65.7 | -165.5 | -170.3 | 178.7 | 5.7 | 111.5 | E16 G18 P19 E116 W122 | E16-R27 WeakPolarHBondContact O-CA 3.45Å; E16-R27 WeakPolarHBondContact O-CB 3.45Å; G18-R27 WeakPolarHBondContact O-CB 3.35Å; P19-R27 PolarHBondContact O-N 2.99Å; R27-E116 VanDerWaalsContact CG-OE1 3.31Å; R27-E116 WeakPolarHBondContact CG-OE1 3.41Å; R27-E116 IonicContact CZ-OE1 2.85Å; R27-E116 IonicContact CZ-OE2 3.42Å; R27-E116 IonicContact NE-OE1 3.56Å; R27-E116 PolarHBondContact NE-OE1 3.35Å; R27-E116 IonicContact NE-OE2 2.67Å; R27-E116 IonicContact NH2-OE1 2.86Å; R27-E116 PolarHBondContact NH2-OE1 3.38Å; R27-E116 IonicContact NH2-OE2 3.61Å; R27-E116 PolarHBondContact NH2-OE2 3.23Å; R27-W122 HydrophobicContact CB-CD2 4.11Å; R27-W122 HydrophobicContact CB-CE3 4.03Å; R27-W122 HydrophobicContact CB-CZ3 4.25Å; R27-W122 HydrophobicContact CG-CD2 4.12Å; R27-W122 HydrophobicContact CG-CG 4.17Å; R27-W122 VanDerWaalsContact CZ-CB 3.43Å; R27-W122 VanDerWaalsContact NH1-CB 3.33Å; R27-W122 PolarHBondContact NH1-O 3.37Å |
| 28 | G | 93.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 43.7 Ų | 43.7 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | 170.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E16 V114 W122 | E16-G28 PolarHBondContact N-O 3.22Å; E16-G28 PolarHBondContact O-N 3.42Å; E16-G28 VanDerWaalsContact O-N 3.15Å; G28-V114 WeakPolarHBondContact CA-O 3.26Å; G28-W122 VanDerWaalsContact C-CZ2 3.48Å; G28-W122 VanDerWaalsContact CA-CZ2 3.5Å; G28-W122 VanDerWaalsContact O-CH2 3.29Å; G28-W122 WeakPolarHBondContact O-CH2 3.17Å |
| 29 | L | 95 | Very high | 91.7 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.6 | 168.8 | -55.3 | 175.5 | 0 | 0 | 0 | 109 | R14 A15 R113 V114 V120 W122 F148 | R14-L29 WeakPolarHBondContact O-CA 3.49Å; A15-L29 HydrophobicContact CB-CD2 3.69Å; L29-R113 CarbonylContact O-C 3.51Å; L29-R113 WeakPolarHBondContact O-CA 3.11Å; L29-V114 HydrophobicContact CB-CB 4.05Å; L29-V114 HydrophobicContact CB-CG2 4.17Å; L29-V114 PolarHBondContact N-O 2.97Å; L29-V114 PolarHBondContact O-N 2.91Å; L29-V120 HydrophobicContact CD1-CG1 4.07Å; L29-V120 HydrophobicContact CD1-CG2 3.95Å; L29-W122 HydrophobicContact CD2-CH2 3.78Å; L29-W122 HydrophobicContact CD2-CZ2 4.03Å; L29-W122 HydrophobicContact CG-CH2 4.23Å; L29-W122 HydrophobicContact CG-CZ2 3.96Å; L29-F148 HydrophobicContact CD1-CD2 3.61Å; L29-F148 HydrophobicContact CD1-CE2 3.41Å; L29-F148 VanDerWaalsContact CD1-CE2 3.41Å |
| 30 | S | 96 | Very high | 92.1 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 155.6 | 171.6 | 63 | 0 | 0 | 0 | 0 | 110.5 | L13 R14 Y112 | L13-S30 CarbonylContact C-O 3.58Å; L13-S30 WeakPolarHBondContact CA-O 3.42Å; R14-S30 PolarHBondContact N-O 3.23Å; R14-S30 PolarHBondContact O-N 3.23Å; R14-S30 VanDerWaalsContact O-N 3.08Å; S30-Y112 WeakPolarHBondContact CA-O 3.1Å |
| 31 | G | 97 | Very high | 92.5 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.2 | -144.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | D12 T111 Y112 | D12-G31 CarbonylContact O-C 3.49Å; D12-G31 VanDerWaalsContact O-CA 3.24Å; D12-G31 WeakPolarHBondContact O-CA 3.08Å; G31-T111 WeakPolarHBondContact O-CA 3.38Å; G31-Y112 PolarHBondContact N-O 2.79Å; G31-Y112 PolarHBondContact O-N 2.77Å |
| 32 | T | 98.4 | Very high | 92.9 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 149.6 | -175.2 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | D12 L110 | D12-T32 PolarHBondContact N-O 3.23Å; D12-T32 PolarHBondContact O-N 3.43Å; T32-L110 CarbonylContact C-O 3.56Å; T32-L110 WeakPolarHBondContact CA-O 3.28Å |
| 33 | A | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | L9 H10 L11 L35 L110 Y112 | L9-A33 HydrophobicContact CD1-CB 4.16Å; H10-A33 CarbonylContact O-C 3.49Å; H10-A33 WeakPolarHBondContact O-CA 3.42Å; L11-A33 HydrophobicContact CD2-CB 3.88Å; A33-L35 HydrophobicContact CB-CD1 4.45Å; A33-L110 HydrophobicContact CB-CB 4.48Å; A33-L110 PolarHBondContact N-O 3.19Å; A33-L110 PolarHBondContact O-N 2.83Å; A33-Y112 HydrophobicContact CB-CD1 4.33Å; A33-Y112 HydrophobicContact CB-CE1 3.66Å |
| 34 | V | 98.5 | Very high | 94.5 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.1 | 173 | -175 | 0 | 0 | 0 | 0 | 108.4 | H10 Q107 V108 L109 | H10-V34 HydrophobicContact CB-CB 4.17Å; H10-V34 PolarHBondContact N-O 3.21Å; H10-V34 PolarHBondContact O-N 3.39Å; V34-Q107 HydrophobicContact CG1-CB 3.98Å; V34-Q107 HydrophobicContact CG1-CG 4.39Å; V34-V108 WeakPolarHBondContact CA-O 3.42Å; V34-L109 HydrophobicContact CG1-CG 4.08Å; V34-L109 HydrophobicContact CG2-CB 4.41Å; V34-L109 HydrophobicContact CG2-CD2 4.19Å; V34-L109 HydrophobicContact CG2-CG 3.93Å |
| 35 | L | 98.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 113.2 | 178.8 | -63.4 | 92.3 | 0 | 0 | 0 | 109.1 | L6 L9 A33 L37 L50 Q107 V108 L110 | L6-L35 HydrophobicContact CD1-CB 3.82Å; L6-L35 HydrophobicContact CD1-CD2 4.12Å; L6-L35 HydrophobicContact CD1-CG 4.23Å; L9-L35 HydrophobicContact CD1-CG 4.13Å; A33-L35 HydrophobicContact CB-CD1 4.45Å; L35-L37 HydrophobicContact CB-CD1 4.17Å; L35-L37 HydrophobicContact CB-CD2 4.26Å; L35-L37 HydrophobicContact CB-CG 4.03Å; L35-L50 HydrophobicContact CD1-CD1 4.26Å; L35-L50 HydrophobicContact CD2-CD1 3.75Å; L35-L50 HydrophobicContact CD2-CD2 3.8Å; L35-L50 HydrophobicContact CD2-CG 4.46Å; L35-Q107 VanDerWaalsContact O-CA 3.26Å; L35-Q107 WeakPolarHBondContact O-CA 3.33Å; L35-V108 PolarHBondContact N-O 3.08Å; L35-V108 PolarHBondContact O-N 2.93Å; L35-L110 HydrophobicContact CD1-CD1 3.83Å; L35-L110 HydrophobicContact CD1-CG 4.21Å |
| 36 | D | 97.9 | Very high | 96 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.1 | 169.9 | -72.1 | 0 | 0 | 0 | 0 | 108.8 | L6 L7 H8 H10 Q107 | L6-D36 WeakPolarHBondContact CD1-O 3.42Å; L7-D36 HydrophobicContact CB-CB 4.12Å; L7-D36 WeakPolarHBondContact CB-O 3.41Å; L7-D36 PolarHBondContact N-O 3.37Å; H8-D36 HydrophobicContact CB-CB 4.17Å; H8-D36 PolarHBondContact O-N 2.8Å; H10-D36 IonicContact NE2-OD2 3.49Å; D36-Q107 WeakPolarHBondContact OD1-CG 3.3Å; D36-Q107 PolarHBondContact OD1-NE2 2.95Å |
| 37 | L | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 152.8 | -170.2 | -61.3 | 163.9 | 0 | 0 | 0 | 111.3 | F4 E5 L6 L35 L48 R105 L106 V108 F152 | F4-L37 HydrophobicContact CB-CD2 4.2Å; F4-L37 HydrophobicContact CD1-CB 4.2Å; E5-L37 CarbonylContact O-C 3.56Å; E5-L37 VanDerWaalsContact O-CA 3.28Å; E5-L37 WeakPolarHBondContact O-CA 3.32Å; L6-L37 HydrophobicContact CB-CD2 4.24Å; L6-L37 HydrophobicContact CD1-CD2 3.84Å; L35-L37 HydrophobicContact CB-CD1 4.17Å; L35-L37 HydrophobicContact CB-CD2 4.26Å; L35-L37 HydrophobicContact CB-CG 4.03Å; L37-L48 HydrophobicContact CD1-CD1 4.12Å; L37-L48 HydrophobicContact CD1-CD2 3.58Å; L37-L48 HydrophobicContact CD1-CG 4.43Å; L37-R105 WeakPolarHBondContact O-CA 3.27Å; L37-L106 HydrophobicContact CB-CD2 4.01Å; L37-L106 HydrophobicContact CB-CG 4.11Å; L37-L106 PolarHBondContact N-O 2.86Å; L37-L106 PolarHBondContact O-N 2.75Å; L37-L106 VanDerWaalsContact O-N 3.08Å; L37-V108 HydrophobicContact CD1-CB 4.22Å; L37-V108 HydrophobicContact CD1-CG2 3.84Å; L37-F152 HydrophobicContact CD2-CE2 4.19Å |
| 38 | R | 97.3 | Very high | 96.7 | Very high | 89 Ų | 89 | 40 Ų | 40 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 127.1 | 163.8 | -165.3 | -164.8 | -40.9 | -113.5 | -2.7 | 109.3 | F4 E5 L7 E104 R105 | F4-R38 CarbonylContact C-O 3.57Å; F4-R38 VanDerWaalsContact CA-O 3.28Å; F4-R38 WeakPolarHBondContact CA-O 3.18Å; E5-R38 HydrophobicContact CB-CB 4.23Å; E5-R38 PolarHBondContact N-O 2.85Å; E5-R38 PolarHBondContact O-N 3.36Å; E5-R38 IonicContact OE2-CZ 3.44Å; E5-R38 IonicContact OE2-NE 2.78Å; E5-R38 PolarHBondContact OE2-NE 2.86Å; E5-R38 IonicContact OE2-NH2 3.33Å; E5-R38 PolarHBondContact OE2-NH2 3.3Å; L7-R38 HydrophobicContact CD1-CB 4.28Å; L7-R38 HydrophobicContact CD2-CB 4.39Å; L7-R38 VanDerWaalsContact CD2-NH2 3.31Å; L7-R38 HydrophobicContact CG-CB 4.45Å; R38-E104 WeakPolarHBondContact CA-O 3.41Å; R38-R105 HydrophobicContact CG-CG 4.44Å |
| 39 | C | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 130.5 | 173.4 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | F4 C100 R101 A103 E104 | F4-C39 HydrophobicContact CD1-CB 4.18Å; F4-C39 HydrophobicContact CE1-CB 3.82Å; C39-C100 HydrophobicContact CB-CB 3.95Å; C39-C100 PolarHBondContact SG-O 3.4Å; C39-C100 VanDerWaalsContact SG-O 3.38Å; C39-R101 WeakPolarHBondContact CB-O 3.24Å; C39-A103 WeakPolarHBondContact O-CA 3.32Å; C39-A103 PolarHBondContact O-N 3.08Å; C39-E104 PolarHBondContact N-O 3.37Å |
| 40 | L | 96.9 | Very high | 97 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 46% | 0.461 | 24% | 0.24 | S | C | . | . | trans | -106.1 | -18 | -179.9 | -60 | -178.8 | 0 | 0 | 0 | 112.9 | A3 E5 P42 | A3-L40 PolarHBondContact O-N 2.82Å; E5-L40 HydrophobicContact CB-CD1 4.07Å; E5-L40 HydrophobicContact CB-CD2 4.08Å; E5-L40 HydrophobicContact CB-CG 4.19Å; L40-P42 WeakPolarHBondContact O-CD 3.3Å | ||
| 41 | E | 96.1 | Very high | 97.1 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 33% | 0.327 | 24% | 0.241 | S | C | . | . | trans | -71.2 | 123.8 | -177.5 | -66.5 | -57.5 | 158.8 | 0 | 0 | 111.3 | A3 E43 G44 A45 A102 | A3-E41 VanDerWaalsContact CA-OE1 3.28Å; A3-E41 WeakPolarHBondContact CA-OE1 3.38Å; A3-E41 HydrophobicContact CB-CG 3.47Å; A3-E41 VanDerWaalsContact CB-CG 3.47Å; E41-E43 VanDerWaalsContact C-N 3.29Å; E41-E43 PolarHBondContact O-N 2.98Å; E41-G44 WeakPolarHBondContact O-CA 3.48Å; E41-G44 PolarHBondContact O-N 2.76Å; E41-A45 HydrophobicContact CB-CB 4.33Å; E41-A45 HydrophobicContact CG-CB 4.14Å; E41-A102 WeakPolarHBondContact O-CB 3.22Å | ||
| 42 | P | 93.5 | Very high | 97.1 | Very high | 109 Ų | 109 | 44 Ų | 44 | 71% | 0.708 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -37 | 178.3 | -25.7 | 35.5 | 0 | 0 | 0 | 113.5 | L40 G44 | L40-P42 WeakPolarHBondContact O-CD 3.3Å; P42-G44 PolarHBondContact O-N 2.86Å |
| 43 | E | 94.1 | Very high | 97 | Very high | 196 Ų | 196 | 43.5 Ų | 43.5 | 92% | 0.916 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -2.9 | 177.8 | -61.3 | -176.9 | -177.5 | 0 | 0 | 112.6 | E41 | E41-E43 VanDerWaalsContact C-N 3.29Å; E41-E43 PolarHBondContact O-N 2.98Å |
| 44 | G | 94.9 | Very high | 96.8 | Very high | 19 Ų | 19 | 48 Ų | 48 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | trans | 82 | 166.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E41 P42 C100 | E41-G44 WeakPolarHBondContact O-CA 3.48Å; E41-G44 PolarHBondContact O-N 2.76Å; P42-G44 PolarHBondContact O-N 2.86Å; G44-C100 CarbonylContact C-O 3.5Å; G44-C100 WeakPolarHBondContact CA-O 3.47Å | ||
| 45 | A | 96.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 48 Ų | 48 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111 | A3 F4 E41 P99 C100 | A3-A45 HydrophobicContact CB-CB 4.1Å; F4-A45 HydrophobicContact CE1-CB 4.4Å; F4-A45 HydrophobicContact CE2-CB 3.58Å; F4-A45 HydrophobicContact CZ-CB 3.42Å; F4-A45 VanDerWaalsContact CZ-CB 3.42Å; E41-A45 HydrophobicContact CB-CB 4.33Å; E41-A45 HydrophobicContact CG-CB 4.14Å; A45-P99 CarbonylContact O-C 3.58Å; A45-P99 WeakPolarHBondContact O-CA 3.38Å; A45-C100 PolarHBondContact N-O 2.92Å; A45-C100 PolarHBondContact O-N 2.87Å |
| 46 | A | 96.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 48.1 Ų | 48.1 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F96 P99 | A46-F96 PolarHBondContact O-N 2.91Å; A46-P99 HydrophobicContact CB-CG 4.27Å |
| 47 | E | 97.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 53 Ų | 53 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 135.8 | -173.8 | -172.2 | -177.6 | 70.7 | 0 | 0 | 111.4 | F4 R49 Y81 C93 V94 | F4-E47 WeakPolarHBondContact CE2-O 3.33Å; E47-R49 HydrophobicContact CG-CG 4.44Å; E47-R49 IonicContact OE1-CZ 3.59Å; E47-R49 IonicContact OE1-NE 3.57Å; E47-R49 PolarHBondContact OE1-NE 3.4Å; E47-R49 IonicContact OE1-NH2 3.64Å; E47-R49 PolarHBondContact OE1-NH2 2.87Å; E47-Y81 VanDerWaalsContact OE2-CE1 3.31Å; E47-Y81 WeakPolarHBondContact OE2-CE1 3.16Å; E47-Y81 PolarHBondContact OE2-OH 2.7Å; E47-C93 HydrophobicContact CG-CB 4.2Å; E47-V94 VanDerWaalsContact CA-O 3.31Å; E47-V94 WeakPolarHBondContact CA-O 3.3Å; E47-V94 WeakPolarHBondContact CG-O 3.46Å |
| 48 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.6 | 167.3 | 171.7 | 69.4 | 0 | 0 | 0 | 109.7 | F4 L37 L50 C93 V94 F96 V108 F152 | F4-L48 HydrophobicContact CB-CD1 4.34Å; F4-L48 HydrophobicContact CD2-CD1 3.79Å; F4-L48 HydrophobicContact CE2-CB 4.35Å; F4-L48 HydrophobicContact CE2-CD1 4.41Å; F4-L48 HydrophobicContact CG-CD1 4.14Å; L37-L48 HydrophobicContact CD1-CD1 4.12Å; L37-L48 HydrophobicContact CD1-CD2 3.58Å; L37-L48 HydrophobicContact CD1-CG 4.43Å; L48-L50 HydrophobicContact CD1-CD2 4.03Å; L48-L50 HydrophobicContact CD1-CG 4.44Å; L48-L50 HydrophobicContact CD2-CD1 4.03Å; L48-L50 HydrophobicContact CD2-CD2 4.24Å; L48-L50 HydrophobicContact CD2-CG 4.09Å; L48-L50 HydrophobicContact CG-CD1 4.5Å; L48-L50 HydrophobicContact CG-CD2 4.17Å; L48-L50 HydrophobicContact CG-CG 4.04Å; L48-C93 CarbonylContact O-C 3.57Å; L48-C93 WeakPolarHBondContact O-CA 3.26Å; L48-V94 HydrophobicContact CB-CB 4.36Å; L48-V94 PolarHBondContact N-O 3.12Å; L48-V94 PolarHBondContact O-N 3.01Å; L48-F96 HydrophobicContact CB-CE2 3.95Å; L48-F96 HydrophobicContact CB-CZ 3.56Å; L48-V108 HydrophobicContact CD2-CB 4.11Å; L48-V108 HydrophobicContact CD2-CG1 4.15Å; L48-V108 HydrophobicContact CD2-CG2 3.9Å; L48-F152 HydrophobicContact CD1-CE1 4.08Å; L48-F152 HydrophobicContact CD1-CZ 3.68Å |
| 49 | R | 97.4 | Very high | 96.4 | Very high | 116 Ų | 116 | 52.8 Ų | 52.8 | 44% | 0.438 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120 | 175.2 | -63.4 | -174.3 | 175.9 | -122.4 | -8 | 111.1 | E47 L92 F152 | E47-R49 HydrophobicContact CG-CG 4.44Å; E47-R49 IonicContact OE1-CZ 3.59Å; E47-R49 IonicContact OE1-NE 3.57Å; E47-R49 PolarHBondContact OE1-NE 3.4Å; E47-R49 IonicContact OE1-NH2 3.64Å; E47-R49 PolarHBondContact OE1-NH2 2.87Å; R49-L92 WeakPolarHBondContact CA-O 3.48Å; R49-F152 VanDerWaalsContact O-CE1 3.24Å; R49-F152 WeakPolarHBondContact O-CE1 3.39Å |
| 50 | L | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.7 | 177.5 | -58.8 | 174.4 | 0 | 0 | 0 | 110 | L35 L48 A91 L92 L110 P150 C151 F152 | L35-L50 HydrophobicContact CD1-CD1 4.26Å; L35-L50 HydrophobicContact CD2-CD1 3.75Å; L35-L50 HydrophobicContact CD2-CD2 3.8Å; L35-L50 HydrophobicContact CD2-CG 4.46Å; L48-L50 HydrophobicContact CD1-CD2 4.03Å; L48-L50 HydrophobicContact CD1-CG 4.44Å; L48-L50 HydrophobicContact CD2-CD1 4.03Å; L48-L50 HydrophobicContact CD2-CD2 4.24Å; L48-L50 HydrophobicContact CD2-CG 4.09Å; L48-L50 HydrophobicContact CG-CD1 4.5Å; L48-L50 HydrophobicContact CG-CD2 4.17Å; L48-L50 HydrophobicContact CG-CG 4.04Å; L50-A91 CarbonylContact O-C 3.5Å; L50-A91 WeakPolarHBondContact O-CA 3.31Å; L50-L92 HydrophobicContact CB-CB 4.41Å; L50-L92 HydrophobicContact CD1-CD2 4.35Å; L50-L92 PolarHBondContact N-O 2.72Å; L50-L92 PolarHBondContact O-N 2.85Å; L50-L110 HydrophobicContact CD1-CD1 3.81Å; L50-P150 HydrophobicContact CB-CB 4.21Å; L50-P150 HydrophobicContact CD1-CB 3.87Å; L50-C151 CarbonylContact C-O 3.51Å; L50-F152 HydrophobicContact CD2-CD1 4Å; L50-F152 HydrophobicContact CD2-CE1 3.75Å; L50-F152 HydrophobicContact CD2-CE2 4.49Å; L50-F152 HydrophobicContact CD2-CG 4.48Å; L50-F152 HydrophobicContact CD2-CZ 4.02Å |
| 51 | D | 97.1 | Very high | 96.6 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 135.8 | 165.8 | -66 | -76.5 | 0 | 0 | 0 | 109.9 | R146 P150 C151 D153 | D51-R146 HydrophobicContact CB-CB 3.85Å; D51-R146 IonicContact OD1-CZ 3.92Å; D51-R146 VanDerWaalsContact OD1-CZ 3.31Å; D51-R146 IonicContact OD1-NH1 2.72Å; D51-R146 PolarHBondContact OD1-NH1 2.77Å; D51-R146 IonicContact OD1-NH2 3.33Å; D51-R146 PolarHBondContact OD1-NH2 2.84Å; D51-R146 IonicContact OD2-NH2 3.74Å; D51-P150 WeakPolarHBondContact O-CA 3.08Å; D51-C151 WeakPolarHBondContact CB-O 3.23Å; D51-C151 PolarHBondContact N-O 2.99Å; D51-C151 PolarHBondContact O-N 2.86Å; D51-C151 VanDerWaalsContact O-N 3.14Å; D51-D153 HydrophobicContact CB-CB 3.73Å; D51-D153 PolarHBondContact OD2-N 3.17Å |
| 52 | S | 97 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 176.5 | 174.6 | -179.1 | 0 | 0 | 0 | 0 | 110.2 | G89 Q90 R146 | S52-G89 WeakPolarHBondContact O-CA 3.41Å; S52-Q90 CarbonylContact C-O 3.59Å; S52-Q90 PolarHBondContact N-O 2.82Å; S52-Q90 PolarHBondContact O-N 2.85Å; S52-Q90 VanDerWaalsContact O-O 3.07Å; S52-R146 CarbonylContact C-O 3.54Å; S52-R146 WeakPolarHBondContact CA-O 3.46Å |
| 53 | H | 96.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | trans | -131.7 | 152.2 | 178.7 | -169.4 | -96.3 | 0 | 0 | 0 | 110.6 | C55 L56 Q90 P118 R146 A147 | H53-C55 PolarHBondContact ND1-N 2.89Å; H53-C55 PolarHBondContact ND1-SG 3.39Å; H53-C55 PolarHBondContact O-N 2.86Å; H53-C55 VanDerWaalsContact O-N 3.07Å; H53-L56 PolarHBondContact O-N 2.83Å; H53-Q90 PolarHBondContact O-NE2 3.39Å; H53-P118 VanDerWaalsContact CE1-CD 3.5Å; H53-P118 WeakPolarHBondContact CE1-CD 3.42Å; H53-R146 HydrophobicContact CB-CG 4.41Å; H53-R146 PolarHBondContact N-O 2.83Å; H53-R146 VanDerWaalsContact N-O 3.11Å; H53-A147 HydrophobicContact CB-CB 3.7Å | ||
| 54 | P | 94.3 | Very high | 97 | Very high | 95 Ų | 95 | 36.4 Ų | 36.4 | 62% | 0.617 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18.7 | 177 | -30.6 | 38 | 0 | 0 | 0 | 116.5 | L56 | P54-L56 VanDerWaalsContact C-N 3.25Š|
| 55 | C | 94.2 | Very high | 96.9 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 14% | 0.135 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.9 | 174.1 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | H53 G115 E116 | H53-C55 PolarHBondContact ND1-N 2.89Å; H53-C55 PolarHBondContact ND1-SG 3.39Å; H53-C55 PolarHBondContact O-N 2.86Å; H53-C55 VanDerWaalsContact O-N 3.07Å; C55-G115 PolarHBondContact O-N 3.1Å; C55-E116 WeakPolarHBondContact CB-O 3.48Å |
| 56 | L | 95.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.4 | -179.2 | -170.3 | 155.9 | 0 | 0 | 0 | 109.4 | H53 P54 V58 Y112 R113 V114 P150 | H53-L56 PolarHBondContact O-N 2.83Å; P54-L56 VanDerWaalsContact C-N 3.25Å; L56-V58 HydrophobicContact CD2-CG2 3.87Å; L56-Y112 HydrophobicContact CD1-CD2 3.85Å; L56-Y112 HydrophobicContact CD1-CE2 4.03Å; L56-Y112 HydrophobicContact CD2-CD2 4.04Å; L56-Y112 HydrophobicContact CD2-CG 4.37Å; L56-Y112 HydrophobicContact CG-CD2 3.87Å; L56-R113 WeakPolarHBondContact CA-O 3.44Å; L56-V114 HydrophobicContact CD1-CG2 4.12Å; L56-V114 HydrophobicContact CG-CG2 4.23Å; L56-P150 HydrophobicContact CD1-CG 4.22Å; L56-P150 HydrophobicContact CD2-CG 3.77Å |
| 57 | E | 96.4 | Very high | 95.4 | Very high | 124 Ų | 124 | 47.1 Ų | 47.1 | 58% | 0.579 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.6 | 178.6 | -176.7 | -176.5 | -166.4 | 0 | 0 | 109.8 | T59 Y112 R113 | E57-T59 HydrophobicContact CG-CG2 4.27Å; E57-Y112 CarbonylContact O-C 3.48Å; E57-Y112 WeakPolarHBondContact O-CA 3.31Å; E57-Y112 VanDerWaalsContact O-CB 3.26Å; E57-Y112 WeakPolarHBondContact O-CB 3.34Å; E57-R113 PolarHBondContact N-O 2.81Å; E57-R113 PolarHBondContact O-N 2.8Å |
| 58 | V | 98.4 | Very high | 94 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.3 | 168.3 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | L56 A60 F80 L92 L110 T111 P150 | L56-V58 HydrophobicContact CD2-CG2 3.87Å; V58-A60 WeakPolarHBondContact CG1-O 3.26Å; V58-F80 HydrophobicContact CB-CD2 4.26Å; V58-F80 HydrophobicContact CB-CE2 3.87Å; V58-F80 HydrophobicContact CB-CZ 4.4Å; V58-F80 HydrophobicContact CG1-CD2 4.01Å; V58-F80 HydrophobicContact CG1-CE1 4.33Å; V58-F80 HydrophobicContact CG1-CE2 3.72Å; V58-F80 HydrophobicContact CG1-CG 4.44Å; V58-F80 HydrophobicContact CG1-CZ 3.89Å; V58-F80 WeakPolarHBondContact O-CE2 3.49Å; V58-F80 WeakPolarHBondContact O-CZ 3.47Å; V58-L92 HydrophobicContact CB-CD1 4.31Å; V58-L92 HydrophobicContact CG2-CD1 4.03Å; V58-L92 HydrophobicContact CG2-CD2 3.68Å; V58-L110 HydrophobicContact CG1-CD2 4.31Å; V58-T111 WeakPolarHBondContact CA-O 3.24Å; V58-P150 HydrophobicContact CG2-CG 4.11Å |
| 59 | T | 98.3 | Very high | 92.8 | Very high | 68 Ų | 68 | 56.2 Ų | 56.2 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -20.8 | -178 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | E57 T111 | E57-T59 HydrophobicContact CG-CG2 4.27Å; T59-T111 PolarHBondContact N-O 2.87Å; T59-T111 PolarHBondContact OG1-O 3.16Å |
| 60 | A | 98.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 149.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V58 L110 T111 | V58-A60 WeakPolarHBondContact CG1-O 3.26Å; A60-L110 WeakPolarHBondContact O-CA 3.41Å; A60-T111 PolarHBondContact N-O 3.04Å; A60-T111 PolarHBondContact O-N 2.95Å |
| 61 | A | 98.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 62.2 Ų | 62.2 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V78 F80 V94 L109 L110 | A61-V78 HydrophobicContact CB-CG2 3.87Å; A61-V78 PolarHBondContact O-N 2.86Å; A61-F80 HydrophobicContact CB-CB 4.28Å; A61-F80 HydrophobicContact CB-CD1 3.53Å; A61-F80 HydrophobicContact CB-CE1 4.2Å; A61-F80 HydrophobicContact CB-CG 4.14Å; A61-V94 HydrophobicContact CB-CG1 4.33Å; A61-L109 CarbonylContact C-O 3.53Å; A61-L109 VanDerWaalsContact CA-O 3.29Å; A61-L109 WeakPolarHBondContact CA-O 3.4Å; A61-L110 HydrophobicContact CB-CD2 3.71Å |
| 62 | A | 98.6 | Very high | 89.3 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A75 E76 V108 L109 | A62-A75 HydrophobicContact CB-CB 3.79Å; A62-E76 CarbonylContact C-O 3.58Å; A62-E76 VanDerWaalsContact CA-O 3.22Å; A62-E76 WeakPolarHBondContact CA-O 3.27Å; A62-V108 WeakPolarHBondContact O-CA 3.37Å; A62-L109 HydrophobicContact CB-CB 4.38Å; A62-L109 PolarHBondContact N-O 2.64Å; A62-L109 PolarHBondContact O-N 2.83Å |
| 63 | L | 98.1 | Very high | 88.7 | Confident | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.7 | 178.9 | 172.3 | 65.9 | 0 | 0 | 0 | 109.4 | R65 A75 E76 V78 F96 L106 V108 | L63-R65 HydrophobicContact CD1-CG 4.44Å; L63-R65 HydrophobicContact CD2-CG 4.31Å; L63-R65 HydrophobicContact CG-CG 4.28Å; L63-A75 CarbonylContact O-C 3.45Å; L63-A75 WeakPolarHBondContact O-CA 3.36Å; L63-E76 PolarHBondContact N-O 2.73Å; L63-E76 PolarHBondContact O-N 3.34Å; L63-V78 HydrophobicContact CB-CG1 3.57Å; L63-V78 HydrophobicContact CB-CG2 4.42Å; L63-V78 HydrophobicContact CD2-CG1 4.4Å; L63-F96 HydrophobicContact CD1-CD1 4.19Å; L63-F96 HydrophobicContact CD1-CE1 4.04Å; L63-F96 HydrophobicContact CD2-CD1 3.93Å; L63-L106 HydrophobicContact CD1-CB 4.07Å; L63-L106 HydrophobicContact CD1-CD1 3.45Å; L63-L106 VanDerWaalsContact CD1-CD1 3.45Å; L63-L106 HydrophobicContact CD1-CG 4.35Å; L63-V108 HydrophobicContact CD1-CG2 4.38Å |
| 64 | R | 96.3 | Very high | 88.3 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124 | 167.4 | -172.9 | -178.1 | -63.5 | 146 | -10.3 | 109 | E72 P73 A75 L106 Q107 L109 | R64-E72 IonicContact CZ-OE1 3.31Å; R64-E72 IonicContact NH1-OE1 3.28Å; R64-E72 PolarHBondContact NH1-OE1 2.97Å; R64-P73 WeakPolarHBondContact CD-O 3.09Å; R64-P73 HydrophobicContact CG-CG 3.99Å; R64-P73 VanDerWaalsContact CG-O 3.3Å; R64-P73 WeakPolarHBondContact CG-O 3.38Å; R64-P73 PolarHBondContact NE-O 3.36Å; R64-A75 HydrophobicContact CB-CB 4.15Å; R64-L106 CarbonylContact O-C 3.53Å; R64-L106 VanDerWaalsContact O-CA 3.3Å; R64-L106 WeakPolarHBondContact O-CA 3.45Å; R64-L106 WeakPolarHBondContact O-CB 3.4Å; R64-Q107 HydrophobicContact CB-CB 4.21Å; R64-Q107 PolarHBondContact N-O 3.03Å; R64-Q107 PolarHBondContact O-N 2.85Å; R64-L109 HydrophobicContact CB-CD1 4.13Å |
| 65 | R | 92.8 | Very high | 88.4 | Confident | 55 Ų | 55 | 68.3 Ų | 68.3 | 21% | 0.208 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.1 | 173.6 | -70 | -178.4 | 160.6 | 154.1 | 6.6 | 109.4 | L63 R67 P73 Q98 E104 | L63-R65 HydrophobicContact CD1-CG 4.44Å; L63-R65 HydrophobicContact CD2-CG 4.31Å; L63-R65 HydrophobicContact CG-CG 4.28Å; R65-R67 PolarHBondContact O-N 3.24Å; R65-P73 WeakPolarHBondContact O-CG 3.3Å; R65-Q98 PolarHBondContact NH2-O 3.08Å; R65-E104 VanDerWaalsContact CD-OE1 3.27Å; R65-E104 WeakPolarHBondContact CD-OE1 3.34Å; R65-E104 WeakPolarHBondContact CG-OE1 3.22Å; R65-E104 IonicContact CZ-OE1 3.39Å; R65-E104 IonicContact NE-OE1 2.81Å; R65-E104 PolarHBondContact NE-OE1 2.89Å |
| 66 | E | 85.1 | Confident | 88.5 | Confident | 105 Ų | 105 | 72 Ų | 72 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | trans | -61.4 | 126.9 | 171.2 | -69.7 | -178.1 | -165.6 | 0 | 0 | 108.9 | R105 | E66-R105 VanDerWaalsContact CD-CB 3.41Å; E66-R105 HydrophobicContact CG-CB 4.18Å; E66-R105 PolarHBondContact N-O 3.14Å; E66-R105 WeakPolarHBondContact OE1-CB 3.48Å; E66-R105 IonicContact OE1-CZ 3.55Å; E66-R105 IonicContact OE1-NE 3.22Å; E66-R105 PolarHBondContact OE1-NE 2.81Å; E66-R105 IonicContact OE1-NH2 3.83Å; E66-R105 WeakPolarHBondContact OE2-CB 3.29Å; E66-R105 IonicContact OE2-NE 3.9Å | ||
| 67 | R | 76.9 | Confident | 88.6 | Confident | 147 Ų | 147 | 77.5 Ų | 77.5 | 56% | 0.555 | 44% | 0.439 | S | S | * | . | trans | -114.4 | 129.7 | 173.3 | -62.7 | -176.4 | -168.5 | -177 | 5.5 | 108.6 | R65 G69 S70 E76 | R65-R67 PolarHBondContact O-N 3.24Å; R67-G69 PolarHBondContact O-N 3.28Å; R67-S70 PolarHBondContact O-N 2.76Å; R67-S70 PolarHBondContact O-OG 3.36Å; R67-E76 IonicContact NH2-OE1 2.76Å | ||
| 68 | P | 68.4 | Low | 88.7 | Confident | 142 Ų | 142 | 72.5 Ų | 72.5 | 92% | 0.922 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 125.7 | 175.6 | -23.8 | 32.9 | 0 | 0 | 0 | 111 | ||
| 69 | G | 71.8 | Confident | 88.7 | Confident | 93 Ų | 93 | 75.9 Ų | 75.9 | 96% | 0.959 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 7.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | R67 | R67-G69 PolarHBondContact O-N 3.28Š|
| 70 | S | 67.4 | Low | 88.7 | Confident | 52 Ų | 52 | 75.9 Ų | 75.9 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | trans | -104.1 | 135.7 | 170.9 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | R67 | R67-S70 PolarHBondContact O-N 2.76Å; R67-S70 PolarHBondContact O-OG 3.36Å | ||
| 71 | E | 72.8 | Confident | 88.7 | Confident | 193 Ų | 193 | 78.4 Ų | 78.4 | 90% | 0.902 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -63.9 | 132.6 | 156.7 | -72.7 | -177.2 | 162.1 | 0 | 0 | 108.7 | ||
| 72 | E | 79.5 | Confident | 88.6 | Confident | 138 Ų | 138 | 81.5 Ų | 81.5 | 65% | 0.645 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -1.9 | 93.5 | -176.2 | -146.2 | 174.9 | 172.2 | 0 | 0 | 115.7 | R64 | R64-E72 IonicContact CZ-OE1 3.31Å; R64-E72 IonicContact NH1-OE1 3.28Å; R64-E72 PolarHBondContact NH1-OE1 2.97Å |
| 73 | P | 83.8 | Confident | 88.4 | Confident | 15 Ų | 15 | 83.4 Ų | 83.4 | 10% | 0.097 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 152.9 | -174.3 | 23.3 | -30.5 | 0 | 0 | 0 | 111.4 | R64 R65 | R64-P73 WeakPolarHBondContact CD-O 3.09Å; R64-P73 HydrophobicContact CG-CG 3.99Å; R64-P73 VanDerWaalsContact CG-O 3.3Å; R64-P73 WeakPolarHBondContact CG-O 3.38Å; R64-P73 PolarHBondContact NE-O 3.36Å; R65-P73 WeakPolarHBondContact O-CG 3.3Å |
| 74 | P | 88.9 | Confident | 88.1 | Confident | 107 Ų | 107 | 89 Ų | 89 | 70% | 0.695 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 144.2 | 177.7 | 26 | -33.8 | 0 | 0 | 0 | 110.5 | ||
| 75 | A | 94.8 | Very high | 87.3 | Confident | 34 Ų | 34 | 93.6 Ų | 93.6 | 28% | 0.281 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 137.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A62 L63 R64 L109 | A62-A75 HydrophobicContact CB-CB 3.79Å; L63-A75 CarbonylContact O-C 3.45Å; L63-A75 WeakPolarHBondContact O-CA 3.36Å; R64-A75 HydrophobicContact CB-CB 4.15Å; A75-L109 HydrophobicContact CB-CD1 3.86Å; A75-L109 HydrophobicContact CB-CD2 4.33Å |
| 76 | E | 96.2 | Very high | 86.5 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 134.1 | 179.8 | -66 | 174.6 | -167.1 | 0 | 0 | 109.6 | A62 L63 R67 | A62-E76 CarbonylContact C-O 3.58Å; A62-E76 VanDerWaalsContact CA-O 3.22Å; A62-E76 WeakPolarHBondContact CA-O 3.27Å; L63-E76 PolarHBondContact N-O 2.73Å; L63-E76 PolarHBondContact O-N 3.34Å; R67-E76 IonicContact NH2-OE1 2.76Å |
| 77 | P | 98.3 | Very high | 86.1 | Confident | 120 Ų | 120 | 96 Ų | 96 | 78% | 0.779 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 140.5 | 176.9 | -24.5 | 34.1 | 0 | 0 | 0 | 112.3 | ||
| 78 | V | 98.6 | Very high | 86 | Confident | 18 Ų | 18 | 96.1 Ų | 96.1 | 11% | 0.109 | 54% | 0.54 | C | S | . | . | trans | -130.9 | 151.2 | 177.4 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | A61 L63 V94 | A61-V78 HydrophobicContact CB-CG2 3.87Å; A61-V78 PolarHBondContact O-N 2.86Å; L63-V78 HydrophobicContact CB-CG1 3.57Å; L63-V78 HydrophobicContact CB-CG2 4.42Å; L63-V78 HydrophobicContact CD2-CG1 4.4Å; V78-V94 HydrophobicContact CB-CG1 4.43Å; V78-V94 HydrophobicContact CG2-CG1 3.49Å; V78-V94 VanDerWaalsContact CG2-CG1 3.49Å | ||
| 79 | S | 98.4 | Very high | 87 | Confident | 88 Ų | 88 | 89.6 Ų | 89.6 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | trans | -70.8 | 144.2 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | S95 | S79-S95 PolarHBondContact O-N 2.72Š| ||
| 80 | F | 98.6 | Very high | 88.1 | Confident | 69 Ų | 69 | 86.5 Ų | 86.5 | 30% | 0.303 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 157.5 | 172.5 | 65.5 | -85.7 | 0 | 0 | 0 | 110.5 | V58 A61 L92 C93 V94 | V58-F80 HydrophobicContact CB-CD2 4.26Å; V58-F80 HydrophobicContact CB-CE2 3.87Å; V58-F80 HydrophobicContact CB-CZ 4.4Å; V58-F80 HydrophobicContact CG1-CD2 4.01Å; V58-F80 HydrophobicContact CG1-CE1 4.33Å; V58-F80 HydrophobicContact CG1-CE2 3.72Å; V58-F80 HydrophobicContact CG1-CG 4.44Å; V58-F80 HydrophobicContact CG1-CZ 3.89Å; V58-F80 WeakPolarHBondContact O-CE2 3.49Å; V58-F80 WeakPolarHBondContact O-CZ 3.47Å; A61-F80 HydrophobicContact CB-CB 4.28Å; A61-F80 HydrophobicContact CB-CD1 3.53Å; A61-F80 HydrophobicContact CB-CE1 4.2Å; A61-F80 HydrophobicContact CB-CG 4.14Å; F80-L92 HydrophobicContact CB-CD1 4.42Å; F80-L92 HydrophobicContact CD2-CD1 4.02Å; F80-C93 CarbonylContact C-O 3.58Å; F80-C93 WeakPolarHBondContact CA-O 3.37Å; F80-C93 WeakPolarHBondContact CB-O 3.47Å; F80-V94 HydrophobicContact CB-CG2 4.23Å |
| 81 | Y | 97.8 | Very high | 89.5 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 160.6 | 174.8 | 64.7 | -80.2 | 0 | 0 | 0 | 109.8 | E47 C93 | E47-Y81 VanDerWaalsContact OE2-CE1 3.31Å; E47-Y81 WeakPolarHBondContact OE2-CE1 3.16Å; E47-Y81 PolarHBondContact OE2-OH 2.7Å; Y81-C93 HydrophobicContact CD1-CB 3.94Å; Y81-C93 HydrophobicContact CD2-CB 4.3Å; Y81-C93 HydrophobicContact CE1-CB 3.47Å; Y81-C93 VanDerWaalsContact CE1-CB 3.47Å; Y81-C93 HydrophobicContact CE2-CB 3.89Å; Y81-C93 HydrophobicContact CG-CB 4.32Å; Y81-C93 VanDerWaalsContact CZ-CB 3.43Å; Y81-C93 PolarHBondContact N-O 2.85Å; Y81-C93 PolarHBondContact O-N 2.86Å |
| 82 | T | 96.9 | Very high | 90.7 | Very high | 72 Ų | 72 | 75.4 Ų | 75.4 | 44% | 0.442 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 147.7 | 170.8 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | Q90 A91 L92 | T82-Q90 PolarHBondContact OG1-OE1 2.87Å; T82-A91 CarbonylContact C-O 3.58Å; T82-A91 VanDerWaalsContact CA-O 3.28Å; T82-A91 WeakPolarHBondContact CA-O 3.35Å; T82-L92 HydrophobicContact CG2-CD1 3.99Å |
| 83 | Q | 94.8 | Very high | 91.6 | Very high | 60 Ų | 60 | 68.9 Ų | 68.9 | 28% | 0.28 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139 | 173 | 63.4 | -171.1 | -71.3 | 0 | 0 | 110.1 | F85 Q90 A91 C93 | Q83-F85 PolarHBondContact O-N 3.35Å; Q83-Q90 WeakPolarHBondContact O-CA 3.39Å; Q83-Q90 WeakPolarHBondContact O-CB 3.44Å; Q83-A91 HydrophobicContact CG-CB 3.86Å; Q83-A91 PolarHBondContact N-O 2.9Å; Q83-A91 PolarHBondContact O-N 3.19Å; Q83-C93 PolarHBondContact NE2-SG 2.79Å |
| 84 | P | 91.4 | Very high | 92.3 | Very high | 126 Ų | 126 | 68.1 Ų | 68.1 | 82% | 0.818 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56 | 131.4 | 173.2 | -23.9 | 34 | 0 | 0 | 0 | 110.5 | ||
| 85 | F | 79.8 | Confident | 92.7 | Very high | 140 Ų | 140 | 64.9 Ų | 64.9 | 61% | 0.614 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -43.3 | 179.1 | 172.7 | -107.2 | 0 | 0 | 0 | 111.3 | Q83 G89 A91 | Q83-F85 PolarHBondContact O-N 3.35Å; F85-G89 PolarHBondContact N-O 3.03Å; F85-A91 HydrophobicContact CB-CB 4.44Å |
| 86 | S | 76.9 | Confident | 92.8 | Very high | 53 Ų | 53 | 64 Ų | 64 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 178.5 | 175 | 70.9 | 0 | 0 | 0 | 0 | 110.1 | Y88 G89 | S86-Y88 PolarHBondContact O-N 2.86Å; S86-Y88 PolarHBondContact OG-N 2.93Å; S86-Y88 VanDerWaalsContact OG-N 3.1Å; S86-G89 PolarHBondContact N-O 2.84Å; S86-G89 PolarHBondContact O-N 2.86Å |
| 87 | H | 75.8 | Confident | 92.8 | Very high | 157 Ų | 157 | 63.6 Ų | 63.6 | 73% | 0.727 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.8 | 168.5 | 54.5 | -172 | 0 | 0 | 0 | 114.9 | ||
| 88 | Y | 75.3 | Confident | 92.6 | Very high | 149 Ų | 149 | 63.5 Ų | 63.5 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 1 | -177.5 | -64 | -58.2 | 0 | 0 | 0 | 113.4 | S86 | S86-Y88 PolarHBondContact O-N 2.86Å; S86-Y88 PolarHBondContact OG-N 2.93Å; S86-Y88 VanDerWaalsContact OG-N 3.1Å |
| 89 | G | 89.2 | Confident | 92.5 | Very high | 5 Ų | 5 | 66.4 Ų | 66.4 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -174.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S52 F85 S86 | S52-G89 WeakPolarHBondContact O-CA 3.41Å; F85-G89 PolarHBondContact N-O 3.03Å; S86-G89 PolarHBondContact N-O 2.84Å; S86-G89 PolarHBondContact O-N 2.86Å |
| 90 | Q | 95.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 13% | 0.131 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.7 | -178.2 | 55.3 | -175.8 | -22.2 | 0 | 0 | 109.8 | S52 H53 T82 Q83 | S52-Q90 CarbonylContact C-O 3.59Å; S52-Q90 PolarHBondContact N-O 2.82Å; S52-Q90 PolarHBondContact O-N 2.85Å; S52-Q90 VanDerWaalsContact O-O 3.07Å; H53-Q90 PolarHBondContact O-NE2 3.39Å; T82-Q90 PolarHBondContact OG1-OE1 2.87Å; Q83-Q90 WeakPolarHBondContact O-CA 3.39Å; Q83-Q90 WeakPolarHBondContact O-CB 3.44Å |
| 91 | A | 96.2 | Very high | 92.3 | Very high | 13 Ų | 13 | 68 Ų | 68 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.2 | 169 | 0 | 0 | 0 | 0 | 0 | 108.9 | L50 T82 Q83 F85 | L50-A91 CarbonylContact O-C 3.5Å; L50-A91 WeakPolarHBondContact O-CA 3.31Å; T82-A91 CarbonylContact C-O 3.58Å; T82-A91 VanDerWaalsContact CA-O 3.28Å; T82-A91 WeakPolarHBondContact CA-O 3.35Å; Q83-A91 HydrophobicContact CG-CB 3.86Å; Q83-A91 PolarHBondContact N-O 2.9Å; Q83-A91 PolarHBondContact O-N 3.19Å; F85-A91 HydrophobicContact CB-CB 4.44Å |
| 92 | L | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.1 | 164.8 | 174.1 | 70 | 0 | 0 | 0 | 108.4 | R49 L50 V58 F80 T82 V94 L110 P150 | R49-L92 WeakPolarHBondContact CA-O 3.48Å; L50-L92 HydrophobicContact CB-CB 4.41Å; L50-L92 HydrophobicContact CD1-CD2 4.35Å; L50-L92 PolarHBondContact N-O 2.72Å; L50-L92 PolarHBondContact O-N 2.85Å; V58-L92 HydrophobicContact CB-CD1 4.31Å; V58-L92 HydrophobicContact CG2-CD1 4.03Å; V58-L92 HydrophobicContact CG2-CD2 3.68Å; F80-L92 HydrophobicContact CB-CD1 4.42Å; F80-L92 HydrophobicContact CD2-CD1 4.02Å; T82-L92 HydrophobicContact CG2-CD1 3.99Å; L92-V94 HydrophobicContact CG-CG2 4.47Å; L92-L110 HydrophobicContact CD2-CD1 3.86Å; L92-P150 HydrophobicContact CD2-CB 3.67Å; L92-P150 HydrophobicContact CD2-CG 3.93Å |
| 93 | C | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.5 | -178.6 | -60.2 | 0 | 0 | 0 | 0 | 109.3 | E47 L48 F80 Y81 Q83 | E47-C93 HydrophobicContact CG-CB 4.2Å; L48-C93 CarbonylContact O-C 3.57Å; L48-C93 WeakPolarHBondContact O-CA 3.26Å; F80-C93 CarbonylContact C-O 3.58Å; F80-C93 WeakPolarHBondContact CA-O 3.37Å; F80-C93 WeakPolarHBondContact CB-O 3.47Å; Y81-C93 HydrophobicContact CD1-CB 3.94Å; Y81-C93 HydrophobicContact CD2-CB 4.3Å; Y81-C93 HydrophobicContact CE1-CB 3.47Å; Y81-C93 VanDerWaalsContact CE1-CB 3.47Å; Y81-C93 HydrophobicContact CE2-CB 3.89Å; Y81-C93 HydrophobicContact CG-CB 4.32Å; Y81-C93 VanDerWaalsContact CZ-CB 3.43Å; Y81-C93 PolarHBondContact N-O 2.85Å; Y81-C93 PolarHBondContact O-N 2.86Å; Q83-C93 PolarHBondContact NE2-SG 2.79Å |
| 94 | V | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.7 | 177.9 | -177 | 0 | 0 | 0 | 0 | 107.8 | E47 L48 A61 V78 F80 L92 F96 V108 L110 | E47-V94 VanDerWaalsContact CA-O 3.31Å; E47-V94 WeakPolarHBondContact CA-O 3.3Å; E47-V94 WeakPolarHBondContact CG-O 3.46Å; L48-V94 HydrophobicContact CB-CB 4.36Å; L48-V94 PolarHBondContact N-O 3.12Å; L48-V94 PolarHBondContact O-N 3.01Å; A61-V94 HydrophobicContact CB-CG1 4.33Å; V78-V94 HydrophobicContact CB-CG1 4.43Å; V78-V94 HydrophobicContact CG2-CG1 3.49Å; V78-V94 VanDerWaalsContact CG2-CG1 3.49Å; F80-V94 HydrophobicContact CB-CG2 4.23Å; L92-V94 HydrophobicContact CG-CG2 4.47Å; V94-F96 HydrophobicContact CG1-CE1 4.1Å; V94-V108 HydrophobicContact CG1-CG1 4.3Å; V94-V108 HydrophobicContact CG2-CG1 4.42Å; V94-L110 HydrophobicContact CG2-CD2 4.14Å |
| 95 | S | 98.2 | Very high | 92.4 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.3 | -176.2 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | S79 | S79-S95 PolarHBondContact O-N 2.72Å |
| 96 | F | 97.3 | Very high | 93.2 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.3 | 178.6 | -56.4 | -46.6 | 0 | 0 | 0 | 111.2 | F4 A46 L48 L63 V94 Q98 L106 V108 | F4-F96 HydrophobicContact CE1-CE2 4.21Å; F4-F96 HydrophobicContact CE2-CE2 4.07Å; F4-F96 HydrophobicContact CZ-CD2 4.33Å; F4-F96 AromaticContact CZ-CE2 3.51Å; F4-F96 HydrophobicContact CZ-CE2 3.51Å; F4-F96 HydrophobicContact CZ-CZ 4.35Å; A46-F96 PolarHBondContact O-N 2.91Å; L48-F96 HydrophobicContact CB-CE2 3.95Å; L48-F96 HydrophobicContact CB-CZ 3.56Å; L63-F96 HydrophobicContact CD1-CD1 4.19Å; L63-F96 HydrophobicContact CD1-CE1 4.04Å; L63-F96 HydrophobicContact CD2-CD1 3.93Å; V94-F96 HydrophobicContact CG1-CE1 4.1Å; F96-Q98 WeakPolarHBondContact CB-O 3.29Å; F96-Q98 PolarHBondContact O-N 2.81Å; F96-L106 HydrophobicContact CE1-CD1 4.34Å; F96-L106 HydrophobicContact CE2-CD1 4.45Å; F96-L106 HydrophobicContact CZ-CD1 4.02Å; F96-V108 HydrophobicContact CE1-CG2 3.77Å; F96-V108 HydrophobicContact CZ-CG2 3.94Å |
| 97 | P | 95.3 | Very high | 94.2 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | -24.7 | -178.3 | 25.7 | -34.4 | 0 | 0 | 0 | 112.6 | ||
| 98 | Q | 95.1 | Very high | 95.3 | Very high | 119 Ų | 119 | 48 Ų | 48 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.3 | 169.9 | -62.4 | 174.1 | 4.3 | 0 | 0 | 107.8 | R65 F96 C100 | R65-Q98 PolarHBondContact NH2-O 3.08Å; F96-Q98 WeakPolarHBondContact CB-O 3.29Å; F96-Q98 PolarHBondContact O-N 2.81Å; Q98-C100 PolarHBondContact O-N 2.86Å |
| 99 | P | 96.5 | Very high | 96.4 | Very high | 78 Ų | 78 | 42.7 Ų | 42.7 | 51% | 0.506 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 135.1 | 173.5 | -24.1 | 33.7 | 0 | 0 | 0 | 112 | A45 A46 | A45-P99 CarbonylContact O-C 3.58Å; A45-P99 WeakPolarHBondContact O-CA 3.38Å; A46-P99 HydrophobicContact CB-CG 4.27Å |
| 100 | C | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.9 | 169.6 | -66.7 | 0 | 0 | 0 | 0 | 109.2 | F4 C39 G44 A45 Q98 E104 L106 | F4-C100 HydrophobicContact CE1-CB 4.18Å; F4-C100 HydrophobicContact CZ-CB 4.33Å; C39-C100 HydrophobicContact CB-CB 3.95Å; C39-C100 PolarHBondContact SG-O 3.4Å; C39-C100 VanDerWaalsContact SG-O 3.38Å; G44-C100 CarbonylContact C-O 3.5Å; G44-C100 WeakPolarHBondContact CA-O 3.47Å; A45-C100 PolarHBondContact N-O 2.92Å; A45-C100 PolarHBondContact O-N 2.87Å; Q98-C100 PolarHBondContact O-N 2.86Å; C100-E104 WeakPolarHBondContact CA-OE2 3.37Å; C100-L106 VanDerWaalsContact SG-CD1 3.51Å |
| 101 | R | 95.8 | Very high | 97 | Very high | 190 Ų | 190 | 44 Ų | 44 | 72% | 0.717 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -72.8 | 154.9 | -179.5 | -57.6 | 175.1 | -172.3 | 172.9 | 2.4 | 110.5 | C39 A103 E104 | C39-R101 WeakPolarHBondContact CB-O 3.24Å; R101-A103 PolarHBondContact O-N 3.1Å; R101-E104 HydrophobicContact CB-CB 4.25Å; R101-E104 PolarHBondContact N-OE2 3.11Å; R101-E104 WeakPolarHBondContact O-CB 3.48Å; R101-E104 PolarHBondContact O-N 3.02Å |
| 102 | A | 96.1 | Very high | 97.1 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 135.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | E41 E104 | E41-A102 WeakPolarHBondContact O-CB 3.22Å; A102-E104 PolarHBondContact O-N 3.33Å; A102-E104 VanDerWaalsContact O-N 3.1Å |
| 103 | A | 95.6 | Very high | 97 | Very high | 69 Ų | 69 | 50.2 Ų | 50.2 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 3.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | C39 R101 R105 | C39-A103 WeakPolarHBondContact O-CA 3.32Å; C39-A103 PolarHBondContact O-N 3.08Å; R101-A103 PolarHBondContact O-N 3.1Å; A103-R105 PolarHBondContact O-N 2.92Å |
| 104 | E | 95.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | trans | -59.6 | 134.4 | 173.2 | -175.6 | -179.1 | 143.9 | 0 | 0 | 110.3 | R38 C39 R65 C100 R101 A102 | R38-E104 WeakPolarHBondContact CA-O 3.41Å; C39-E104 PolarHBondContact N-O 3.37Å; R65-E104 VanDerWaalsContact CD-OE1 3.27Å; R65-E104 WeakPolarHBondContact CD-OE1 3.34Å; R65-E104 WeakPolarHBondContact CG-OE1 3.22Å; R65-E104 IonicContact CZ-OE1 3.39Å; R65-E104 IonicContact NE-OE1 2.81Å; R65-E104 PolarHBondContact NE-OE1 2.89Å; C100-E104 WeakPolarHBondContact CA-OE2 3.37Å; R101-E104 HydrophobicContact CB-CB 4.25Å; R101-E104 PolarHBondContact N-OE2 3.11Å; R101-E104 WeakPolarHBondContact O-CB 3.48Å; R101-E104 PolarHBondContact O-N 3.02Å; A102-E104 PolarHBondContact O-N 3.33Å; A102-E104 VanDerWaalsContact O-N 3.1Å | ||
| 105 | R | 95.6 | Very high | 96.5 | Very high | 101 Ų | 101 | 52 Ų | 52 | 38% | 0.381 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.5 | 170.3 | -67 | -175.3 | 70 | 174.6 | 1.4 | 110.5 | L7 L37 R38 E66 A103 | L7-R105 HydrophobicContact CD1-CG 4.49Å; L37-R105 WeakPolarHBondContact O-CA 3.27Å; R38-R105 HydrophobicContact CG-CG 4.44Å; E66-R105 VanDerWaalsContact CD-CB 3.41Å; E66-R105 HydrophobicContact CG-CB 4.18Å; E66-R105 PolarHBondContact N-O 3.14Å; E66-R105 WeakPolarHBondContact OE1-CB 3.48Å; E66-R105 IonicContact OE1-CZ 3.55Å; E66-R105 IonicContact OE1-NE 3.22Å; E66-R105 PolarHBondContact OE1-NE 2.81Å; E66-R105 IonicContact OE1-NH2 3.83Å; E66-R105 WeakPolarHBondContact OE2-CB 3.29Å; E66-R105 IonicContact OE2-NE 3.9Å; A103-R105 PolarHBondContact O-N 2.92Å |
| 106 | L | 96.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 162.9 | -175.3 | 64.5 | 157.2 | 0 | 0 | 0 | 110.1 | F4 L37 L63 R64 F96 C100 V108 | F4-L106 HydrophobicContact CD1-CD2 4.38Å; F4-L106 HydrophobicContact CE1-CD1 4.46Å; F4-L106 HydrophobicContact CE1-CD2 4.1Å; L37-L106 HydrophobicContact CB-CD2 4.01Å; L37-L106 HydrophobicContact CB-CG 4.11Å; L37-L106 PolarHBondContact N-O 2.86Å; L37-L106 PolarHBondContact O-N 2.75Å; L37-L106 VanDerWaalsContact O-N 3.08Å; L63-L106 HydrophobicContact CD1-CB 4.07Å; L63-L106 HydrophobicContact CD1-CD1 3.45Å; L63-L106 VanDerWaalsContact CD1-CD1 3.45Å; L63-L106 HydrophobicContact CD1-CG 4.35Å; R64-L106 CarbonylContact O-C 3.53Å; R64-L106 VanDerWaalsContact O-CA 3.3Å; R64-L106 WeakPolarHBondContact O-CA 3.45Å; R64-L106 WeakPolarHBondContact O-CB 3.4Å; F96-L106 HydrophobicContact CE1-CD1 4.34Å; F96-L106 HydrophobicContact CE2-CD1 4.45Å; F96-L106 HydrophobicContact CZ-CD1 4.02Å; C100-L106 VanDerWaalsContact SG-CD1 3.51Å; L106-V108 HydrophobicContact CD1-CG2 4.41Å |
| 107 | Q | 97.8 | Very high | 95.8 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.6 | 168.8 | -53.9 | -178.6 | -58.3 | 0 | 0 | 109.9 | V34 L35 D36 R64 L109 | V34-Q107 HydrophobicContact CG1-CB 3.98Å; V34-Q107 HydrophobicContact CG1-CG 4.39Å; L35-Q107 VanDerWaalsContact O-CA 3.26Å; L35-Q107 WeakPolarHBondContact O-CA 3.33Å; D36-Q107 WeakPolarHBondContact OD1-CG 3.3Å; D36-Q107 PolarHBondContact OD1-NE2 2.95Å; R64-Q107 HydrophobicContact CB-CB 4.21Å; R64-Q107 PolarHBondContact N-O 3.03Å; R64-Q107 PolarHBondContact O-N 2.85Å; Q107-L109 HydrophobicContact CB-CD1 4.14Å |
| 108 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.5 | 166.3 | 174 | 0 | 0 | 0 | 0 | 108 | V34 L35 L37 L48 A62 L63 V94 F96 L106 L110 | V34-V108 WeakPolarHBondContact CA-O 3.42Å; L35-V108 PolarHBondContact N-O 3.08Å; L35-V108 PolarHBondContact O-N 2.93Å; L37-V108 HydrophobicContact CD1-CB 4.22Å; L37-V108 HydrophobicContact CD1-CG2 3.84Å; L48-V108 HydrophobicContact CD2-CB 4.11Å; L48-V108 HydrophobicContact CD2-CG1 4.15Å; L48-V108 HydrophobicContact CD2-CG2 3.9Å; A62-V108 WeakPolarHBondContact O-CA 3.37Å; L63-V108 HydrophobicContact CD1-CG2 4.38Å; V94-V108 HydrophobicContact CG1-CG1 4.3Å; V94-V108 HydrophobicContact CG2-CG1 4.42Å; F96-V108 HydrophobicContact CE1-CG2 3.77Å; F96-V108 HydrophobicContact CZ-CG2 3.94Å; L106-V108 HydrophobicContact CD1-CG2 4.41Å; V108-L110 HydrophobicContact CG1-CD2 3.84Å; V108-L110 HydrophobicContact CG1-CG 4.11Å |
| 109 | L | 98.6 | Very high | 95.6 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.1 | 179.3 | -59.9 | 81.7 | 0 | 0 | 0 | 108 | V34 A61 A62 R64 A75 Q107 | V34-L109 HydrophobicContact CG1-CG 4.08Å; V34-L109 HydrophobicContact CG2-CB 4.41Å; V34-L109 HydrophobicContact CG2-CD2 4.19Å; V34-L109 HydrophobicContact CG2-CG 3.93Å; A61-L109 CarbonylContact C-O 3.53Å; A61-L109 VanDerWaalsContact CA-O 3.29Å; A61-L109 WeakPolarHBondContact CA-O 3.4Å; A62-L109 HydrophobicContact CB-CB 4.38Å; A62-L109 PolarHBondContact N-O 2.64Å; A62-L109 PolarHBondContact O-N 2.83Å; R64-L109 HydrophobicContact CB-CD1 4.13Å; A75-L109 HydrophobicContact CB-CD1 3.86Å; A75-L109 HydrophobicContact CB-CD2 4.33Å; Q107-L109 HydrophobicContact CB-CD1 4.14Å |
| 110 | L | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.1 | 179.3 | -58.4 | 176.9 | 0 | 0 | 0 | 109.1 | T32 A33 L35 L50 V58 A60 A61 L92 V94 V108 P150 | T32-L110 CarbonylContact C-O 3.56Å; T32-L110 WeakPolarHBondContact CA-O 3.28Å; A33-L110 HydrophobicContact CB-CB 4.48Å; A33-L110 PolarHBondContact N-O 3.19Å; A33-L110 PolarHBondContact O-N 2.83Å; L35-L110 HydrophobicContact CD1-CD1 3.83Å; L35-L110 HydrophobicContact CD1-CG 4.21Å; L50-L110 HydrophobicContact CD1-CD1 3.81Å; V58-L110 HydrophobicContact CG1-CD2 4.31Å; A60-L110 WeakPolarHBondContact O-CA 3.41Å; A61-L110 HydrophobicContact CB-CD2 3.71Å; L92-L110 HydrophobicContact CD2-CD1 3.86Å; V94-L110 HydrophobicContact CG2-CD2 4.14Å; V108-L110 HydrophobicContact CG1-CD2 3.84Å; V108-L110 HydrophobicContact CG1-CG 4.11Å; L110-P150 HydrophobicContact CD1-CB 3.82Å; L110-P150 HydrophobicContact CD1-CG 3.89Å |
| 111 | T | 98.8 | Very high | 95.5 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 36% | 0.362 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.5 | 166.5 | -54.2 | 0 | 0 | 0 | 0 | 108.1 | G31 V58 T59 A60 | G31-T111 WeakPolarHBondContact O-CA 3.38Å; V58-T111 WeakPolarHBondContact CA-O 3.24Å; T59-T111 PolarHBondContact N-O 2.87Å; T59-T111 PolarHBondContact OG1-O 3.16Å; A60-T111 PolarHBondContact N-O 3.04Å; A60-T111 PolarHBondContact O-N 2.95Å |
| 112 | Y | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 166.5 | -172.6 | 71.4 | -78.7 | 0 | 0 | 0 | 113.3 | L13 S30 G31 A33 L56 E57 V114 F148 F149 | L13-Y112 HydrophobicContact CD2-CE1 4.1Å; L13-Y112 HydrophobicContact CD2-CE2 4.46Å; L13-Y112 WeakPolarHBondContact CD2-OH 3.31Å; S30-Y112 WeakPolarHBondContact CA-O 3.1Å; G31-Y112 PolarHBondContact N-O 2.79Å; G31-Y112 PolarHBondContact O-N 2.77Å; A33-Y112 HydrophobicContact CB-CD1 4.33Å; A33-Y112 HydrophobicContact CB-CE1 3.66Å; L56-Y112 HydrophobicContact CD1-CD2 3.85Å; L56-Y112 HydrophobicContact CD1-CE2 4.03Å; L56-Y112 HydrophobicContact CD2-CD2 4.04Å; L56-Y112 HydrophobicContact CD2-CG 4.37Å; L56-Y112 HydrophobicContact CG-CD2 3.87Å; E57-Y112 CarbonylContact O-C 3.48Å; E57-Y112 WeakPolarHBondContact O-CA 3.31Å; E57-Y112 VanDerWaalsContact O-CB 3.26Å; E57-Y112 WeakPolarHBondContact O-CB 3.34Å; Y112-V114 HydrophobicContact CD2-CG2 3.84Å; Y112-V114 HydrophobicContact CE2-CG2 3.64Å; Y112-F148 VanDerWaalsContact CE2-O 3.31Å; Y112-F148 WeakPolarHBondContact CE2-O 3.31Å; Y112-F149 HydrophobicContact CE2-CB 4.33Å; Y112-F149 WeakPolarHBondContact OH-CB 3.06Å |
| 113 | R | 96.6 | Very high | 95.3 | Very high | 144 Ų | 144 | 37.6 Ų | 37.6 | 54% | 0.543 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 149.8 | 174.4 | -57.6 | -178.2 | -178.8 | -122.1 | -1 | 109.8 | L29 L56 E57 | L29-R113 CarbonylContact O-C 3.51Å; L29-R113 WeakPolarHBondContact O-CA 3.11Å; L56-R113 WeakPolarHBondContact CA-O 3.44Å; E57-R113 PolarHBondContact N-O 2.81Å; E57-R113 PolarHBondContact O-N 2.8Å |
| 114 | V | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115 | 178.9 | -169.4 | 0 | 0 | 0 | 0 | 107.9 | G28 L29 L56 Y112 V120 A147 F148 | G28-V114 WeakPolarHBondContact CA-O 3.26Å; L29-V114 HydrophobicContact CB-CB 4.05Å; L29-V114 HydrophobicContact CB-CG2 4.17Å; L29-V114 PolarHBondContact N-O 2.97Å; L29-V114 PolarHBondContact O-N 2.91Å; L56-V114 HydrophobicContact CD1-CG2 4.12Å; L56-V114 HydrophobicContact CG-CG2 4.23Å; Y112-V114 HydrophobicContact CD2-CG2 3.84Å; Y112-V114 HydrophobicContact CE2-CG2 3.64Å; V114-V120 HydrophobicContact CG1-CG2 4.22Å; V114-A147 WeakPolarHBondContact CG1-O 3.23Å; V114-F148 VanDerWaalsContact CG2-O 3.24Å; V114-F148 WeakPolarHBondContact CG2-O 3.43Å |
| 115 | G | 89.9 | Confident | 95.1 | Very high | 32 Ų | 32 | 36 Ų | 36 | 33% | 0.33 | 20% | 0.197 | S | C | . | . | trans | -88 | -156.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C55 G117 | C55-G115 PolarHBondContact O-N 3.1Å; G115-G117 PolarHBondContact O-N 3.36Å | ||
| 116 | E | 89.8 | Confident | 95.1 | Very high | 85 Ų | 85 | 37.3 Ų | 37.3 | 40% | 0.397 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -64.3 | 124.7 | 175.7 | -65.2 | -62.6 | 131.5 | 0 | 0 | 111.2 | R27 C55 | R27-E116 VanDerWaalsContact CG-OE1 3.31Å; R27-E116 WeakPolarHBondContact CG-OE1 3.41Å; R27-E116 IonicContact CZ-OE1 2.85Å; R27-E116 IonicContact CZ-OE2 3.42Å; R27-E116 IonicContact NE-OE1 3.56Å; R27-E116 PolarHBondContact NE-OE1 3.35Å; R27-E116 IonicContact NE-OE2 2.67Å; R27-E116 IonicContact NH2-OE1 2.86Å; R27-E116 PolarHBondContact NH2-OE1 3.38Å; R27-E116 IonicContact NH2-OE2 3.61Å; R27-E116 PolarHBondContact NH2-OE2 3.23Å; C55-E116 WeakPolarHBondContact CB-O 3.48Å |
| 117 | G | 91.4 | Very high | 95.1 | Very high | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -163.4 | 173.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | G115 G119 | G115-G117 PolarHBondContact O-N 3.36Å; G117-G119 VanDerWaalsContact C-N 3.34Å; G117-G119 PolarHBondContact O-N 3.18Å |
| 118 | P | 93.2 | Very high | 95 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -20.2 | -172.2 | 29.8 | -36.5 | 0 | 0 | 0 | 114.1 | H53 L144 A147 | H53-P118 VanDerWaalsContact CE1-CD 3.5Å; H53-P118 WeakPolarHBondContact CE1-CD 3.42Å; P118-L144 HydrophobicContact CB-CD1 4.42Å; P118-L144 HydrophobicContact CB-CD2 3.84Å; P118-L144 HydrophobicContact CG-CD2 3.87Å; P118-A147 HydrophobicContact CG-CB 3.92Å |
| 119 | G | 93.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -14.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G117 T138 Q139 | G117-G119 VanDerWaalsContact C-N 3.34Å; G117-G119 PolarHBondContact O-N 3.18Å; G119-T138 VanDerWaalsContact O-CA 3.29Å; G119-T138 WeakPolarHBondContact O-CA 3.34Å; G119-T138 WeakPolarHBondContact O-CB 3.4Å; G119-Q139 PolarHBondContact O-N 3.08Å; G119-Q139 VanDerWaalsContact O-N 3.08Å |
| 120 | V | 95.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122 | -178.1 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | L29 V114 W122 V136 T138 F148 | L29-V120 HydrophobicContact CD1-CG1 4.07Å; L29-V120 HydrophobicContact CD1-CG2 3.95Å; V114-V120 HydrophobicContact CG1-CG2 4.22Å; V120-W122 HydrophobicContact CG1-CZ2 3.97Å; V120-V136 HydrophobicContact CG1-CG2 3.66Å; V120-T138 HydrophobicContact CG2-CG2 4.27Å; V120-F148 HydrophobicContact CG2-CB 4.22Å; V120-F148 HydrophobicContact CG2-CD2 4.16Å; V120-F148 HydrophobicContact CG2-CG 4.39Å |
| 121 | C | 94.8 | Very high | 94.4 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 25% | 0.25 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.2 | -177.8 | -68.4 | 0 | 0 | 0 | 0 | 110.5 | V136 Y137 | C121-V136 WeakPolarHBondContact O-CA 3.24Å; C121-Y137 HydrophobicContact CB-CD1 3.81Å; C121-Y137 HydrophobicContact CB-CD2 4.11Å; C121-Y137 HydrophobicContact CB-CE1 3.34Å; C121-Y137 HydrophobicContact CB-CE2 3.67Å; C121-Y137 HydrophobicContact CB-CG 4.18Å; C121-Y137 PolarHBondContact N-O 2.91Å; C121-Y137 PolarHBondContact O-N 3.19Å |
| 122 | W | 94.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.2 | -178.5 | -59 | 93.7 | 0 | 0 | 0 | 110.5 | E16 F17 R27 G28 L29 V120 V136 | E16-W122 WeakPolarHBondContact O-CH2 3.44Å; E16-W122 VanDerWaalsContact O-CZ3 3.29Å; E16-W122 WeakPolarHBondContact O-CZ3 3.38Å; F17-W122 HydrophobicContact CD1-CE3 4.14Å; F17-W122 AromaticContact CD1-CZ3 3.98Å; F17-W122 HydrophobicContact CD1-CZ3 3.98Å; F17-W122 HydrophobicContact CE1-CE3 4.2Å; F17-W122 AromaticContact CE1-CZ3 4Å; F17-W122 HydrophobicContact CE1-CZ3 4Å; F17-W122 HydrophobicContact CG-CZ3 4.48Å; F17-W122 HydrophobicContact CZ-CZ3 4.49Å; R27-W122 HydrophobicContact CB-CD2 4.11Å; R27-W122 HydrophobicContact CB-CE3 4.03Å; R27-W122 HydrophobicContact CB-CZ3 4.25Å; R27-W122 HydrophobicContact CG-CD2 4.12Å; R27-W122 HydrophobicContact CG-CG 4.17Å; R27-W122 VanDerWaalsContact CZ-CB 3.43Å; R27-W122 VanDerWaalsContact NH1-CB 3.33Å; R27-W122 PolarHBondContact NH1-O 3.37Å; G28-W122 VanDerWaalsContact C-CZ2 3.48Å; G28-W122 VanDerWaalsContact CA-CZ2 3.5Å; G28-W122 VanDerWaalsContact O-CH2 3.29Å; G28-W122 WeakPolarHBondContact O-CH2 3.17Å; L29-W122 HydrophobicContact CD2-CH2 3.78Å; L29-W122 HydrophobicContact CD2-CZ2 4.03Å; L29-W122 HydrophobicContact CG-CH2 4.23Å; L29-W122 HydrophobicContact CG-CZ2 3.96Å; V120-W122 HydrophobicContact CG1-CZ2 3.97Å; W122-V136 HydrophobicContact CD2-CB 4.43Å; W122-V136 HydrophobicContact CD2-CG2 3.86Å; W122-V136 HydrophobicContact CE3-CB 3.85Å; W122-V136 HydrophobicContact CE3-CG2 3.72Å; W122-V136 HydrophobicContact CH2-CG2 4.08Å; W122-V136 HydrophobicContact CZ2-CG2 4.2Å; W122-V136 HydrophobicContact CZ3-CB 3.97Å; W122-V136 HydrophobicContact CZ3-CG2 3.84Å |
| 123 | L | 94.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 66.6 Ų | 66.6 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.9 | 177.6 | -57.1 | -178.1 | 0 | 0 | 0 | 110.1 | Q127 T128 P134 F135 Y137 | L123-Q127 HydrophobicContact CB-CB 4.13Å; L123-Q127 HydrophobicContact CD2-CB 4.35Å; L123-T128 HydrophobicContact CB-CG2 4.37Å; L123-P134 VanDerWaalsContact O-CA 3.31Å; L123-P134 WeakPolarHBondContact O-CA 3.39Å; L123-P134 WeakPolarHBondContact O-CB 3.36Å; L123-F135 HydrophobicContact CB-CB 4.2Å; L123-F135 HydrophobicContact CD1-CB 4.38Å; L123-F135 HydrophobicContact CD1-CD1 4.17Å; L123-F135 PolarHBondContact N-O 2.88Å; L123-F135 PolarHBondContact O-N 3.07Å; L123-Y137 HydrophobicContact CD1-CE1 4.21Å; L123-Y137 HydrophobicContact CG-CE1 4.28Å |
| 124 | A | 92.6 | Very high | 93.7 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 28% | 0.281 | 36% | 0.357 | S | S | . | . | trans | -65.5 | 157.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E126 Q127 T128 | A124-E126 WeakPolarHBondContact CB-OE2 3.5Å; A124-E126 PolarHBondContact O-N 3.32Å; A124-E126 VanDerWaalsContact O-N 3.12Å; A124-Q127 HydrophobicContact CB-CG 4.45Å; A124-Q127 WeakPolarHBondContact O-CB 3.41Å; A124-Q127 PolarHBondContact O-N 3.03Å; A124-T128 PolarHBondContact O-N 3.1Å | ||
| 125 | P | 94.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 67.6 Ų | 67.6 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -48.4 | -43.4 | 179 | -28.7 | 35.9 | 0 | 0 | 0 | 113.2 | Q127 T128 K131 K133 | P125-Q127 PolarHBondContact O-N 3.43Å; P125-T128 WeakPolarHBondContact O-CB 3.4Å; P125-T128 PolarHBondContact O-N 3.23Å; P125-T128 PolarHBondContact O-OG1 3.07Å; P125-K131 VanDerWaalsContact O-CA 3.23Å; P125-K131 WeakPolarHBondContact O-CA 3.16Å; P125-K133 WeakPolarHBondContact CA-O 3.45Å |
| 126 | E | 95.7 | Very high | 93.8 | Very high | 128 Ų | 128 | 68 Ų | 68 | 60% | 0.598 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -66.5 | -18.9 | -177.4 | -53.2 | 70.5 | -148.8 | 0 | 0 | 112.8 | A124 K131 | A124-E126 WeakPolarHBondContact CB-OE2 3.5Å; A124-E126 PolarHBondContact O-N 3.32Å; A124-E126 VanDerWaalsContact O-N 3.12Å; E126-K131 VanDerWaalsContact O-CD 3.31Å; E126-K131 WeakPolarHBondContact O-CD 3.35Å; E126-K131 WeakPolarHBondContact O-CE 3.29Å; E126-K131 PolarHBondContact O-NZ 3.04Å |
| 127 | Q | 95.6 | Very high | 94.1 | Very high | 120 Ų | 120 | 69 Ų | 69 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -88.8 | -14.1 | 176.2 | -60.8 | 176.2 | -67.3 | 0 | 0 | 112.2 | L123 A124 P125 | L123-Q127 HydrophobicContact CB-CB 4.13Å; L123-Q127 HydrophobicContact CD2-CB 4.35Å; A124-Q127 HydrophobicContact CB-CG 4.45Å; A124-Q127 WeakPolarHBondContact O-CB 3.41Å; A124-Q127 PolarHBondContact O-N 3.03Å; P125-Q127 PolarHBondContact O-N 3.43Å |
| 128 | T | 95.9 | Very high | 94.2 | Very high | 22 Ų | 22 | 71 Ų | 71 | 14% | 0.135 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -82 | 162.7 | 176 | 75.4 | 0 | 0 | 0 | 0 | 111.7 | L123 A124 P125 G130 K131 K133 F135 | L123-T128 HydrophobicContact CB-CG2 4.37Å; A124-T128 PolarHBondContact O-N 3.1Å; P125-T128 WeakPolarHBondContact O-CB 3.4Å; P125-T128 PolarHBondContact O-N 3.23Å; P125-T128 PolarHBondContact O-OG1 3.07Å; T128-G130 VanDerWaalsContact C-N 3.32Å; T128-K131 VanDerWaalsContact O-CD 3.23Å; T128-K131 WeakPolarHBondContact O-CD 3.37Å; T128-K131 WeakPolarHBondContact O-CE 3.29Å; T128-K131 PolarHBondContact O-NZ 2.79Å; T128-K131 PolarHBondContact OG1-N 2.99Å; T128-K131 VanDerWaalsContact OG1-N 3.11Å; T128-K133 WeakPolarHBondContact CG2-O 3.2Å; T128-K133 PolarHBondContact OG1-O 3.02Å; T128-F135 HydrophobicContact CG2-CB 3.77Å |
| 129 | A | 95.4 | Very high | 94.3 | Very high | 106 Ų | 106 | 72.9 Ų | 72.9 | 88% | 0.876 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -64.8 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 130 | G | 93.9 | Very high | 94.2 | Very high | 53 Ų | 53 | 73.6 Ų | 73.6 | 55% | 0.546 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -82 | -13.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T128 K132 | T128-G130 VanDerWaalsContact C-N 3.32Å; G130-K132 WeakPolarHBondContact O-CG 3.45Å; G130-K132 PolarHBondContact O-N 2.92Å |
| 131 | K | 94.6 | Very high | 94 | Very high | 123 Ų | 123 | 80.6 Ų | 80.6 | 54% | 0.535 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 58.6 | 10.4 | 178.1 | -51 | -61.5 | 176.8 | -156.8 | 0 | 116.2 | P125 E126 T128 | P125-K131 VanDerWaalsContact O-CA 3.23Å; P125-K131 WeakPolarHBondContact O-CA 3.16Å; E126-K131 VanDerWaalsContact O-CD 3.31Å; E126-K131 WeakPolarHBondContact O-CD 3.35Å; E126-K131 WeakPolarHBondContact O-CE 3.29Å; E126-K131 PolarHBondContact O-NZ 3.04Å; T128-K131 VanDerWaalsContact O-CD 3.23Å; T128-K131 WeakPolarHBondContact O-CD 3.37Å; T128-K131 WeakPolarHBondContact O-CE 3.29Å; T128-K131 PolarHBondContact O-NZ 2.79Å; T128-K131 PolarHBondContact OG1-N 2.99Å; T128-K131 VanDerWaalsContact OG1-N 3.11Å |
| 132 | K | 93.4 | Very high | 93.7 | Very high | 188 Ų | 188 | 82.6 Ų | 82.6 | 82% | 0.817 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -116.8 | -34.7 | -170.7 | -73.6 | 177.4 | -176.8 | -174.8 | 0 | 114.7 | G130 | G130-K132 WeakPolarHBondContact O-CG 3.45Å; G130-K132 PolarHBondContact O-N 2.92Å |
| 133 | K | 91.7 | Very high | 93.6 | Very high | 130 Ų | 130 | 84.3 Ų | 84.3 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -126.9 | 147 | -175.8 | -68.4 | -169.1 | 175.3 | -168.5 | 0 | 109.6 | P125 T128 | P125-K133 WeakPolarHBondContact CA-O 3.45Å; T128-K133 WeakPolarHBondContact CG2-O 3.2Å; T128-K133 PolarHBondContact OG1-O 3.02Å |
| 134 | P | 93.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 84.1 Ų | 84.1 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | trans | -68.2 | 168.5 | 171.4 | 33.1 | -36.6 | 0 | 0 | 0 | 110.6 | F17 L123 | F17-P134 HydrophobicContact CB-CG 3.9Å; F17-P134 HydrophobicContact CD1-CB 3.59Å; F17-P134 HydrophobicContact CD1-CG 3.4Å; F17-P134 VanDerWaalsContact CD1-CG 3.4Å; F17-P134 HydrophobicContact CE1-CB 4.11Å; F17-P134 HydrophobicContact CE1-CG 4.02Å; F17-P134 HydrophobicContact CG-CB 4.39Å; F17-P134 HydrophobicContact CG-CG 3.75Å; L123-P134 VanDerWaalsContact O-CA 3.31Å; L123-P134 WeakPolarHBondContact O-CA 3.39Å; L123-P134 WeakPolarHBondContact O-CB 3.36Å | ||
| 135 | F | 93.3 | Very high | 93.9 | Very high | 115 Ų | 115 | 85 Ų | 85 | 50% | 0.504 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 142.5 | 177.9 | -170.3 | -93.4 | 0 | 0 | 0 | 110.5 | L123 T128 Y137 | L123-F135 HydrophobicContact CB-CB 4.2Å; L123-F135 HydrophobicContact CD1-CB 4.38Å; L123-F135 HydrophobicContact CD1-CD1 4.17Å; L123-F135 PolarHBondContact N-O 2.88Å; L123-F135 PolarHBondContact O-N 3.07Å; T128-F135 HydrophobicContact CG2-CB 3.77Å; F135-Y137 HydrophobicContact CD1-CD1 4.1Å; F135-Y137 HydrophobicContact CE1-CD1 4.07Å; F135-Y137 HydrophobicContact CE1-CG 4.42Å |
| 136 | V | 94.4 | Very high | 94 | Very high | 42 Ų | 42 | 84.1 Ų | 84.1 | 26% | 0.255 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.2 | 175 | 66.6 | 0 | 0 | 0 | 0 | 109.4 | F17 V120 C121 W122 | F17-V136 HydrophobicContact CE1-CB 3.99Å; F17-V136 HydrophobicContact CE1-CG1 4.01Å; F17-V136 HydrophobicContact CZ-CB 4.22Å; F17-V136 HydrophobicContact CZ-CG1 3.71Å; V120-V136 HydrophobicContact CG1-CG2 3.66Å; C121-V136 WeakPolarHBondContact O-CA 3.24Å; W122-V136 HydrophobicContact CD2-CB 4.43Å; W122-V136 HydrophobicContact CD2-CG2 3.86Å; W122-V136 HydrophobicContact CE3-CB 3.85Å; W122-V136 HydrophobicContact CE3-CG2 3.72Å; W122-V136 HydrophobicContact CH2-CG2 4.08Å; W122-V136 HydrophobicContact CZ2-CG2 4.2Å; W122-V136 HydrophobicContact CZ3-CB 3.97Å; W122-V136 HydrophobicContact CZ3-CG2 3.84Å |
| 137 | Y | 95.1 | Very high | 94 | Very high | 105 Ų | 105 | 78 Ų | 78 | 41% | 0.412 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 160.4 | 169.3 | 67.6 | -82.5 | 0 | 0 | 0 | 110.3 | C121 L123 F135 | C121-Y137 HydrophobicContact CB-CD1 3.81Å; C121-Y137 HydrophobicContact CB-CD2 4.11Å; C121-Y137 HydrophobicContact CB-CE1 3.34Å; C121-Y137 HydrophobicContact CB-CE2 3.67Å; C121-Y137 HydrophobicContact CB-CG 4.18Å; C121-Y137 PolarHBondContact N-O 2.91Å; C121-Y137 PolarHBondContact O-N 3.19Å; L123-Y137 HydrophobicContact CD1-CE1 4.21Å; L123-Y137 HydrophobicContact CG-CE1 4.28Å; F135-Y137 HydrophobicContact CD1-CD1 4.1Å; F135-Y137 HydrophobicContact CE1-CD1 4.07Å; F135-Y137 HydrophobicContact CE1-CG 4.42Å |
| 138 | T | 95.1 | Very high | 94 | Very high | 66 Ų | 66 | 73.6 Ų | 73.6 | 41% | 0.405 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 149.8 | 175.2 | 56.9 | 0 | 0 | 0 | 0 | 110.3 | G119 V120 F148 | G119-T138 VanDerWaalsContact O-CA 3.29Å; G119-T138 WeakPolarHBondContact O-CA 3.34Å; G119-T138 WeakPolarHBondContact O-CB 3.4Å; V120-T138 HydrophobicContact CG2-CG2 4.27Å; T138-F148 HydrophobicContact CG2-CD1 3.99Å; T138-F148 HydrophobicContact CG2-CD2 4.49Å; T138-F148 HydrophobicContact CG2-CE1 4.12Å; T138-F148 HydrophobicContact CG2-CG 4.22Å; T138-F148 HydrophobicContact CG2-CZ 4.45Å |
| 139 | Q | 94.4 | Very high | 94.1 | Very high | 100 Ų | 100 | 73.4 Ų | 73.4 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | trans | -134.1 | 102 | 170.1 | 175.8 | 61.2 | -15.5 | 0 | 0 | 108.7 | G119 L144 | G119-Q139 PolarHBondContact O-N 3.08Å; G119-Q139 VanDerWaalsContact O-N 3.08Å; Q139-L144 WeakPolarHBondContact O-CB 3.13Å; Q139-L144 WeakPolarHBondContact O-CD1 3.46Å | ||
| 140 | G | 91 | Very high | 94.2 | Very high | 15 Ų | 15 | 68.3 Ų | 68.3 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | trans | -85 | -19.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A142 V143 L144 N145 | G140-A142 CarbonylContact O-C 3.57Å; G140-V143 PolarHBondContact O-N 2.76Å; G140-L144 PolarHBondContact O-N 3.01Å; G140-N145 VanDerWaalsContact CA-OD1 3.27Å; G140-N145 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 141 | Q | 91.4 | Very high | 94.4 | Very high | 152 Ų | 152 | 65.9 Ų | 65.9 | 71% | 0.71 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 138.4 | -176.7 | -169.8 | -179.1 | -4.3 | 0 | 0 | 111.4 | ||
| 142 | A | 89.8 | Confident | 94.5 | Very high | 79 Ų | 79 | 60.2 Ų | 60.2 | 65% | 0.653 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.1 | -27 | -2.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G140 | G140-A142 CarbonylContact O-C 3.57Š|
| 143 | V | 91.9 | Very high | 94.5 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.3 | 41.8 | -174.2 | -69.3 | 0 | 0 | 0 | 0 | 110.7 | G140 R146 D153 | G140-V143 PolarHBondContact O-N 2.76Å; V143-R146 WeakPolarHBondContact O-CD 3.21Å; V143-R146 WeakPolarHBondContact O-CG 3.35Å; V143-R146 PolarHBondContact O-NE 2.85Å; V143-R146 VanDerWaalsContact O-NE 3.12Å; V143-D153 WeakPolarHBondContact CA-OD2 3.44Å |
| 144 | L | 95.4 | Very high | 94.6 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -5.4 | -175.2 | -61.5 | -176.2 | 0 | 0 | 0 | 112.9 | P118 Q139 G140 R146 A147 | P118-L144 HydrophobicContact CB-CD1 4.42Å; P118-L144 HydrophobicContact CB-CD2 3.84Å; P118-L144 HydrophobicContact CG-CD2 3.87Å; Q139-L144 WeakPolarHBondContact O-CB 3.13Å; Q139-L144 WeakPolarHBondContact O-CD1 3.46Å; G140-L144 PolarHBondContact O-N 3.01Å; L144-R146 PolarHBondContact O-N 3.35Å; L144-A147 WeakPolarHBondContact O-CB 3.37Å; L144-A147 PolarHBondContact O-N 3.27Å |
| 145 | N | 96.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -62.1 | -32.1 | 172 | -73.4 | -30.5 | 0 | 0 | 0 | 111.6 | G140 A147 F148 F149 | G140-N145 VanDerWaalsContact CA-OD1 3.27Å; G140-N145 WeakPolarHBondContact CA-OD1 3.49Å; N145-A147 PolarHBondContact O-N 2.9Å; N145-A147 VanDerWaalsContact O-N 3.1Å; N145-F148 WeakPolarHBondContact O-CA 3.2Å; N145-F148 PolarHBondContact O-N 2.83Å; N145-F149 HydrophobicContact CB-CE1 4.33Å; N145-F149 HydrophobicContact CB-CZ 4.14Å; N145-F149 PolarHBondContact O-N 3.31Å; N145-F149 VanDerWaalsContact O-O 3.06Å |
| 146 | R | 95.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 6% | 0.057 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -58.3 | -20.6 | 172.3 | 71 | -175.8 | 66.1 | -140.9 | -3.6 | 114.4 | D51 S52 H53 V143 L144 D153 | D51-R146 HydrophobicContact CB-CB 3.85Å; D51-R146 IonicContact OD1-CZ 3.92Å; D51-R146 VanDerWaalsContact OD1-CZ 3.31Å; D51-R146 IonicContact OD1-NH1 2.72Å; D51-R146 PolarHBondContact OD1-NH1 2.77Å; D51-R146 IonicContact OD1-NH2 3.33Å; D51-R146 PolarHBondContact OD1-NH2 2.84Å; D51-R146 IonicContact OD2-NH2 3.74Å; S52-R146 CarbonylContact C-O 3.54Å; S52-R146 WeakPolarHBondContact CA-O 3.46Å; H53-R146 HydrophobicContact CB-CG 4.41Å; H53-R146 PolarHBondContact N-O 2.83Å; H53-R146 VanDerWaalsContact N-O 3.11Å; V143-R146 WeakPolarHBondContact O-CD 3.21Å; V143-R146 WeakPolarHBondContact O-CG 3.35Å; V143-R146 PolarHBondContact O-NE 2.85Å; V143-R146 VanDerWaalsContact O-NE 3.12Å; L144-R146 PolarHBondContact O-N 3.35Å; R146-D153 HydrophobicContact CB-CB 4.13Å; R146-D153 WeakPolarHBondContact CB-OD2 3.31Å; R146-D153 WeakPolarHBondContact CG-OD2 3.41Å; R146-D153 IonicContact CZ-OD2 2.72Å; R146-D153 PolarHBondContact N-OD2 3.33Å; R146-D153 IonicContact NE-OD2 2.7Å; R146-D153 PolarHBondContact NE-OD2 2.72Å; R146-D153 PolarHBondContact NH2-O 3.46Å; R146-D153 IonicContact NH2-OD2 3.06Å; R146-D153 PolarHBondContact NH2-OD2 3.34Å |
| 147 | A | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -91.8 | -2.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H53 V114 P118 L144 N145 | H53-A147 HydrophobicContact CB-CB 3.7Å; V114-A147 WeakPolarHBondContact CG1-O 3.23Å; P118-A147 HydrophobicContact CG-CB 3.92Å; L144-A147 WeakPolarHBondContact O-CB 3.37Å; L144-A147 PolarHBondContact O-N 3.27Å; N145-A147 PolarHBondContact O-N 2.9Å; N145-A147 VanDerWaalsContact O-N 3.1Å |
| 148 | F | 96.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -45.9 | 176.5 | 174.2 | -148.7 | 0 | 0 | 0 | 111.2 | L13 L29 Y112 V114 V120 T138 N145 | L13-F148 HydrophobicContact CD1-CE2 3.61Å; L13-F148 HydrophobicContact CD1-CZ 3.64Å; L29-F148 HydrophobicContact CD1-CD2 3.61Å; L29-F148 HydrophobicContact CD1-CE2 3.41Å; L29-F148 VanDerWaalsContact CD1-CE2 3.41Å; Y112-F148 VanDerWaalsContact CE2-O 3.31Å; Y112-F148 WeakPolarHBondContact CE2-O 3.31Å; V114-F148 VanDerWaalsContact CG2-O 3.24Å; V114-F148 WeakPolarHBondContact CG2-O 3.43Å; V120-F148 HydrophobicContact CG2-CB 4.22Å; V120-F148 HydrophobicContact CG2-CD2 4.16Å; V120-F148 HydrophobicContact CG2-CG 4.39Å; T138-F148 HydrophobicContact CG2-CD1 3.99Å; T138-F148 HydrophobicContact CG2-CD2 4.49Å; T138-F148 HydrophobicContact CG2-CE1 4.12Å; T138-F148 HydrophobicContact CG2-CG 4.22Å; T138-F148 HydrophobicContact CG2-CZ 4.45Å; N145-F148 WeakPolarHBondContact O-CA 3.2Å; N145-F148 PolarHBondContact O-N 2.83Å |
| 149 | F | 97.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -149 | 151.7 | 174.9 | 56.3 | -89.7 | 0 | 0 | 0 | 111.3 | L9 L11 Y112 N145 C151 | L9-F149 HydrophobicContact CD2-CD2 3.66Å; L9-F149 HydrophobicContact CD2-CE2 3.41Å; L9-F149 VanDerWaalsContact CD2-CE2 3.41Å; L9-F149 HydrophobicContact CD2-CG 4.48Å; L9-F149 HydrophobicContact CD2-CZ 4.07Å; L11-F149 HydrophobicContact CD1-CD1 4.26Å; L11-F149 HydrophobicContact CD2-CB 4.19Å; L11-F149 HydrophobicContact CD2-CG 4.34Å; Y112-F149 HydrophobicContact CE2-CB 4.33Å; Y112-F149 WeakPolarHBondContact OH-CB 3.06Å; N145-F149 HydrophobicContact CB-CE1 4.33Å; N145-F149 HydrophobicContact CB-CZ 4.14Å; N145-F149 PolarHBondContact O-N 3.31Å; N145-F149 VanDerWaalsContact O-O 3.06Å; F149-C151 HydrophobicContact CD2-CB 3.64Å; F149-C151 HydrophobicContact CE2-CB 3.43Å; F149-C151 VanDerWaalsContact CE2-CB 3.43Å; F149-C151 PolarHBondContact O-N 2.65Å; F149-C151 PolarHBondContact O-SG 3.47Å; F149-C151 VanDerWaalsContact O-SG 3.36Å |
| 150 | P | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -66.3 | 125.7 | 175.5 | -19 | 33.9 | 0 | 0 | 0 | 111.1 | L50 D51 L56 V58 L92 L110 | L50-P150 HydrophobicContact CB-CB 4.21Å; L50-P150 HydrophobicContact CD1-CB 3.87Å; D51-P150 WeakPolarHBondContact O-CA 3.08Å; L56-P150 HydrophobicContact CD1-CG 4.22Å; L56-P150 HydrophobicContact CD2-CG 3.77Å; V58-P150 HydrophobicContact CG2-CG 4.11Å; L92-P150 HydrophobicContact CD2-CB 3.67Å; L92-P150 HydrophobicContact CD2-CG 3.93Å; L110-P150 HydrophobicContact CD1-CB 3.82Å; L110-P150 HydrophobicContact CD1-CG 3.89Å | ||
| 151 | C | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -156.2 | 177.5 | -173.7 | 55.8 | 0 | 0 | 0 | 0 | 114 | L50 D51 F149 D153 | L50-C151 CarbonylContact C-O 3.51Å; D51-C151 WeakPolarHBondContact CB-O 3.23Å; D51-C151 PolarHBondContact N-O 2.99Å; D51-C151 PolarHBondContact O-N 2.86Å; D51-C151 VanDerWaalsContact O-N 3.14Å; F149-C151 HydrophobicContact CD2-CB 3.64Å; F149-C151 HydrophobicContact CE2-CB 3.43Å; F149-C151 VanDerWaalsContact CE2-CB 3.43Å; F149-C151 PolarHBondContact O-N 2.65Å; F149-C151 PolarHBondContact O-SG 3.47Å; F149-C151 VanDerWaalsContact O-SG 3.36Å; C151-D153 PolarHBondContact O-N 2.92Å |
| 152 | F | 96.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | trans | -85.3 | 88.9 | 162.3 | -58.9 | -54.7 | 0 | 0 | 0 | 108.4 | F1 F4 L6 L37 L48 R49 L50 T154 V157 | F1-F152 HydrophobicContact CB-CB 4.38Å; F1-F152 HydrophobicContact CB-CD1 3.55Å; F1-F152 HydrophobicContact CB-CE1 3.94Å; F1-F152 HydrophobicContact CB-CG 4Å; F4-F152 HydrophobicContact CB-CZ 4.12Å; L6-F152 HydrophobicContact CB-CD2 3.97Å; L6-F152 HydrophobicContact CB-CE2 3.94Å; L6-F152 HydrophobicContact CD2-CD2 4.38Å; L37-F152 HydrophobicContact CD2-CE2 4.19Å; L48-F152 HydrophobicContact CD1-CE1 4.08Å; L48-F152 HydrophobicContact CD1-CZ 3.68Å; R49-F152 VanDerWaalsContact O-CE1 3.24Å; R49-F152 WeakPolarHBondContact O-CE1 3.39Å; L50-F152 HydrophobicContact CD2-CD1 4Å; L50-F152 HydrophobicContact CD2-CE1 3.75Å; L50-F152 HydrophobicContact CD2-CE2 4.49Å; L50-F152 HydrophobicContact CD2-CG 4.48Å; L50-F152 HydrophobicContact CD2-CZ 4.02Å; F152-T154 PolarHBondContact O-N 3.11Å; F152-V157 HydrophobicContact CB-CB 4.17Å; F152-V157 HydrophobicContact CB-CG1 4.03Å; F152-V157 HydrophobicContact CB-CG2 4.19Å; F152-V157 HydrophobicContact CD2-CG1 4.06Å; F152-V157 HydrophobicContact CG-CG1 4.46Å | ||
| 153 | D | 95.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | trans | -85.4 | 68.4 | -169.3 | -171 | 24.4 | 0 | 0 | 0 | 111.1 | D51 V143 R146 C151 | D51-D153 HydrophobicContact CB-CB 3.73Å; D51-D153 PolarHBondContact OD2-N 3.17Å; V143-D153 WeakPolarHBondContact CA-OD2 3.44Å; R146-D153 HydrophobicContact CB-CB 4.13Å; R146-D153 WeakPolarHBondContact CB-OD2 3.31Å; R146-D153 WeakPolarHBondContact CG-OD2 3.41Å; R146-D153 IonicContact CZ-OD2 2.72Å; R146-D153 PolarHBondContact N-OD2 3.33Å; R146-D153 IonicContact NE-OD2 2.7Å; R146-D153 PolarHBondContact NE-OD2 2.72Å; R146-D153 PolarHBondContact NH2-O 3.46Å; R146-D153 IonicContact NH2-OD2 3.06Å; R146-D153 PolarHBondContact NH2-OD2 3.34Å; C151-D153 PolarHBondContact O-N 2.92Å | ||
| 154 | T | 93.5 | Very high | 96.2 | Very high | 42 Ų | 42 | 58.2 Ų | 58.2 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -144.1 | 139.3 | -178.7 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | F152 A156 V157 | F152-T154 PolarHBondContact O-N 3.11Å; T154-A156 HydrophobicContact CG2-CB 4.38Å; T154-A156 PolarHBondContact O-N 2.99Å; T154-A156 VanDerWaalsContact O-N 3.08Å; T154-A156 PolarHBondContact OG1-N 3.43Å; T154-V157 HydrophobicContact CG2-CB 4Å; T154-V157 HydrophobicContact CG2-CG2 3.64Å; T154-V157 PolarHBondContact O-N 2.7Å |
| 155 | P | 94.3 | Very high | 96.1 | Very high | 120 Ų | 120 | 60.8 Ų | 60.8 | 78% | 0.779 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.1 | 176.9 | 28.2 | -36.5 | 0 | 0 | 0 | 113.5 | V157 | P155-V157 VanDerWaalsContact C-N 3.3Š|
| 156 | A | 95.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 63 Ų | 63 | 66% | 0.661 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -20.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T154 | T154-A156 HydrophobicContact CG2-CB 4.38Å; T154-A156 PolarHBondContact O-N 2.99Å; T154-A156 VanDerWaalsContact O-N 3.08Å; T154-A156 PolarHBondContact OG1-N 3.43Å |
| 157 | V | 94.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 69.2 Ų | 69.2 | 22% | 0.218 | 36% | 0.358 | C | S | . | . | trans | -107.3 | 123.2 | -177.3 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | F1 F152 T154 P155 Y159 | F1-V157 HydrophobicContact CB-CG2 4.44Å; F152-V157 HydrophobicContact CB-CB 4.17Å; F152-V157 HydrophobicContact CB-CG1 4.03Å; F152-V157 HydrophobicContact CB-CG2 4.19Å; F152-V157 HydrophobicContact CD2-CG1 4.06Å; F152-V157 HydrophobicContact CG-CG1 4.46Å; T154-V157 HydrophobicContact CG2-CB 4Å; T154-V157 HydrophobicContact CG2-CG2 3.64Å; T154-V157 PolarHBondContact O-N 2.7Å; P155-V157 VanDerWaalsContact C-N 3.3Å; V157-Y159 HydrophobicContact CG1-CD1 3.94Å; V157-Y159 HydrophobicContact CG1-CE1 4.24Å | ||
| 158 | K | 94.9 | Very high | 93.8 | Very high | 186 Ų | 186 | 72 Ų | 72 | 81% | 0.809 | 38% | 0.376 | S | S | * | . | trans | -118.8 | 134.9 | 179.6 | -62.6 | -178.6 | -178.1 | 179.6 | 0 | 109.3 | ||||
| 159 | Y | 95.5 | Very high | 91.9 | Very high | 63 Ų | 63 | 74 Ų | 74 | 25% | 0.247 | 41% | 0.406 | C | S | . | . | trans | -151.2 | 161 | -179.9 | 49.1 | -86.9 | 0 | 0 | 0 | 110.3 | L6 L9 V157 | L6-Y159 HydrophobicContact CB-CD1 4.41Å; L6-Y159 HydrophobicContact CB-CG 4.45Å; L6-Y159 HydrophobicContact CD2-CD1 3.6Å; L6-Y159 HydrophobicContact CD2-CD2 3.68Å; L6-Y159 HydrophobicContact CD2-CE1 3.75Å; L6-Y159 HydrophobicContact CD2-CE2 3.83Å; L6-Y159 HydrophobicContact CD2-CG 3.55Å; L6-Y159 HydrophobicContact CG-CD1 4.19Å; L6-Y159 HydrophobicContact CG-CD2 4.25Å; L6-Y159 HydrophobicContact CG-CG 3.89Å; L6-Y159 WeakPolarHBondContact O-CB 3.31Å; L9-Y159 HydrophobicContact CB-CD2 4.11Å; L9-Y159 HydrophobicContact CB-CE2 4.13Å; L9-Y159 HydrophobicContact CD2-CE2 3.99Å; V157-Y159 HydrophobicContact CG1-CD1 3.94Å; V157-Y159 HydrophobicContact CG1-CE1 4.24Å | ||
| 160 | K | 97.5 | Very high | 89.5 | Confident | 157 Ų | 157 | 78.5 Ų | 78.5 | 68% | 0.683 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 158.2 | 170.5 | -65.2 | 179.1 | -175.7 | 177.3 | 0 | 109.4 | H8 L9 | H8-K160 WeakPolarHBondContact CA-O 3.42Å; H8-K160 WeakPolarHBondContact ND1-CB 3.41Å; L9-K160 PolarHBondContact N-O 3.12Å |
| 161 | Y | 97.9 | Very high | 86.7 | Confident | 159 Ų | 159 | 85.2 Ų | 85.2 | 62% | 0.624 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.6 | 171.8 | 79.7 | -80.9 | 0 | 0 | 0 | 111.3 | L9 A163 | L9-Y161 CarbonylContact O-C 3.48Å; L9-Y161 WeakPolarHBondContact O-CA 3.16Å; L9-Y161 VanDerWaalsContact O-CB 3.32Å; L9-Y161 WeakPolarHBondContact O-CB 3.36Å; Y161-A163 HydrophobicContact CD2-CB 4.33Å; Y161-A163 HydrophobicContact CE2-CB 4.21Å |
| 162 | S | 98.4 | Very high | 86.1 | Confident | 49 Ų | 49 | 89.5 Ų | 89.5 | 34% | 0.343 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.4 | 165.3 | 55.6 | 0 | 0 | 0 | 0 | 108.3 | H8 L9 H10 L11 | H8-S162 PolarHBondContact NE2-N 3Å; H8-S162 PolarHBondContact NE2-OG 3.1Å; L9-S162 PolarHBondContact O-N 2.67Å; H10-S162 WeakPolarHBondContact CA-O 3.04Å; H10-S162 PolarHBondContact ND1-OG 3.15Å; L11-S162 PolarHBondContact N-O 2.85Å |
| 163 | A | 97 | Very high | 85.6 | Confident | 52 Ų | 52 | 93.9 Ų | 93.9 | 43% | 0.43 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.3 | 131.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L11 Y161 I165 | L11-A163 HydrophobicContact CB-CB 4.14Å; L11-A163 CarbonylContact O-C 3.38Å; L11-A163 VanDerWaalsContact O-CA 3.26Å; L11-A163 WeakPolarHBondContact O-CA 3.4Å; Y161-A163 HydrophobicContact CD2-CB 4.33Å; Y161-A163 HydrophobicContact CE2-CB 4.21Å; A163-I165 HydrophobicContact CB-CD1 4.18Å; A163-I165 HydrophobicContact CB-CG1 4.36Å |
| 164 | L | 97.3 | Very high | 85.1 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 53% | 0.529 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.8 | 158.4 | -178.8 | 63.3 | 0 | 0 | 0 | 107.3 | L11 D12 L13 | L11-L164 PolarHBondContact O-N 3.02Å; D12-L164 WeakPolarHBondContact CA-O 3.21Å; L13-L164 PolarHBondContact N-O 2.9Å |
| 165 | I | 93.8 | Very high | 84.6 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 112.3 | 179 | -52.1 | -63.8 | 0 | 0 | 0 | 108.3 | L13 A163 | L13-I165 HydrophobicContact CB-CD1 3.83Å; L13-I165 HydrophobicContact CD1-CD1 3.9Å; L13-I165 HydrophobicContact CG-CD1 4.22Å; L13-I165 CarbonylContact O-C 3.5Å; L13-I165 VanDerWaalsContact O-CA 3.3Å; L13-I165 WeakPolarHBondContact O-CA 3.48Å; A163-I165 HydrophobicContact CB-CD1 4.18Å; A163-I165 HydrophobicContact CB-CG1 4.36Å |
| 166 | E | 92.1 | Very high | 84 | Confident | 99 Ų | 99 | 100.6 Ų | 100.6 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.7 | 171 | -63.4 | -171.2 | 162.8 | 0 | 0 | 110 | L13 R14 A15 | L13-E166 PolarHBondContact O-N 3.24Å; R14-E166 HydrophobicContact CB-CB 4.31Å; R14-E166 HydrophobicContact CG-CB 4.26Å; A15-E166 PolarHBondContact N-O 2.67Å |
| 167 | E | 80.3 | Confident | 83.2 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 151.2 | 164.2 | 62.8 | 175.9 | -169.3 | 0 | 0 | 110.2 | G169 | E167-G169 PolarHBondContact O-N 3.46Å; E167-G169 VanDerWaalsContact O-N 3.16Å |
| 168 | P | 67.1 | Low | 82.4 | Confident | 58 Ų | 58 | 106.6 Ų | 106.6 | 38% | 0.377 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 125.3 | 171 | -12.4 | 25.3 | 0 | 0 | 0 | 108.5 | A15 F17 V170 | A15-P168 WeakPolarHBondContact O-CD 3.31Å; A15-P168 WeakPolarHBondContact O-CG 3.37Å; F17-P168 HydrophobicContact CD2-CG 3.91Å; P168-V170 PolarHBondContact O-N 3.26Å |
| 169 | G | 57.5 | Low | 81.4 | Confident | 72 Ų | 72 | 100.5 Ų | 100.5 | 74% | 0.742 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 130.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | E167 G171 | E167-G169 PolarHBondContact O-N 3.46Å; E167-G169 VanDerWaalsContact O-N 3.16Å; G169-G171 PolarHBondContact O-N 3.47Å |
| 170 | V | 45.4 | Very low | 80.3 | Confident | 110 Ų | 110 | 103.7 Ų | 103.7 | 67% | 0.667 | 63% | 0.626 | S | S | * | * | trans | -63 | 99.5 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | P168 | P168-V170 PolarHBondContact O-N 3.26Š| ||
| 171 | G | 38.8 | Very low | 78.7 | Confident | 142 Ų | 142 | 98.8 Ų | 98.8 | 100% | 1.464 | 62% | 0.621 | S | S | * | * | trans | -73.5 | 0 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G169 | G169-G171 PolarHBondContact O-N 3.47Š|
Retrieved 171 of 171 residues in 159.4 ms
(Link to these results)