| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 74.9 | Confident | 90.6 | Very high | 177 Ų | 177 | 54.5 Ų | 54.5 | 87% | 0.872 | 25% | 0.253 | S | S | * | . | 0 | 125.2 | 0 | 178.5 | -178 | -77.2 | 0 | 0 | 107.6 | V122 | M1-V122 HydrophobicContact CE-CG1 4.03Å; M1-V122 HydrophobicContact CG-CG1 3.65Å; M1-V122 HydrophobicContact SD-CG1 3.43Å; M1-V122 WeakPolarHBondContact SD-CG1 3.36Å; M1-V122 HydrophobicContact SD-CG2 4.4Å | |||
| 2 | E | 82.5 | Confident | 91.3 | Very high | 95 Ų | 95 | 50.1 Ų | 50.1 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | trans | -87.5 | 132.4 | 177.6 | -73.9 | 177 | -131.2 | 0 | 0 | 110.3 | F4 N123 R129 | E2-F4 HydrophobicContact CB-CE2 3.96Å; E2-F4 WeakPolarHBondContact OE2-CE2 3.43Å; E2-F4 WeakPolarHBondContact OE2-CZ 3.48Å; E2-N123 PolarHBondContact N-OD1 2.82Å; E2-N123 VanDerWaalsContact N-OD1 3.17Å; E2-N123 PolarHBondContact O-N 3.14Å; E2-R129 IonicContact OE1-CZ 3.49Å; E2-R129 IonicContact OE1-NH1 2.75Å; E2-R129 PolarHBondContact OE1-NH1 2.9Å; E2-R129 IonicContact OE2-CZ 3.18Å; E2-R129 IonicContact OE2-NH1 3.82Å; E2-R129 PolarHBondContact OE2-NH1 2.89Å | ||
| 3 | K | 85.5 | Confident | 91.8 | Very high | 122 Ų | 122 | 50.4 Ų | 50.4 | 53% | 0.53 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.3 | 174.5 | -68 | -172.2 | 169.7 | -153.8 | 0 | 109.9 | E120 | K3-E120 IonicContact NZ-OE2 3.44Å; K3-E120 PolarHBondContact NZ-OE2 3.46Å |
| 4 | F | 86.4 | Confident | 92.3 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138.6 | 171.8 | -66.3 | -98.1 | 0 | 0 | 0 | 108.7 | E2 F121 P124 R129 L132 | E2-F4 HydrophobicContact CB-CE2 3.96Å; E2-F4 WeakPolarHBondContact OE2-CE2 3.43Å; E2-F4 WeakPolarHBondContact OE2-CZ 3.48Å; F4-F121 PolarHBondContact N-O 3.3Å; F4-F121 PolarHBondContact O-N 2.85Å; F4-P124 HydrophobicContact CB-CG 4.33Å; F4-P124 HydrophobicContact CD2-CG 3.51Å; F4-P124 HydrophobicContact CE2-CG 4.1Å; F4-P124 HydrophobicContact CG-CG 4.1Å; F4-R129 HydrophobicContact CD2-CG 4.48Å; F4-R129 HydrophobicContact CE2-CG 3.86Å; F4-R129 HydrophobicContact CZ-CB 4.28Å; F4-R129 HydrophobicContact CZ-CG 3.98Å; F4-L132 HydrophobicContact CB-CB 4.03Å; F4-L132 HydrophobicContact CB-CD1 3.58Å; F4-L132 HydrophobicContact CB-CG 4.43Å; F4-L132 HydrophobicContact CD1-CB 3.91Å; F4-L132 HydrophobicContact CG-CB 4.26Å; F4-L132 HydrophobicContact CG-CD1 4.29Å |
| 5 | V | 89.4 | Confident | 92.8 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | R7 F119 E120 | V5-R7 HydrophobicContact CG1-CG 4.17Å; V5-F119 WeakPolarHBondContact CA-O 3.35Å; V5-E120 HydrophobicContact CG2-CG 4.32Å |
| 6 | L | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.7 | 165.2 | -178.9 | 60.1 | 0 | 0 | 0 | 108.1 | L8 V42 L48 F90 F119 F121 L132 | L6-L8 HydrophobicContact CD1-CD2 4.1Å; L6-L8 HydrophobicContact CD2-CD2 3.89Å; L6-L8 HydrophobicContact CD2-CG 4.31Å; L6-L8 HydrophobicContact CG-CD2 3.73Å; L6-L8 HydrophobicContact CG-CG 4.15Å; L6-V42 HydrophobicContact CD1-CB 4.08Å; L6-V42 HydrophobicContact CD1-CG1 3.84Å; L6-V42 HydrophobicContact CD1-CG2 4.27Å; L6-L48 HydrophobicContact CD2-CD2 4.16Å; L6-F90 HydrophobicContact CD2-CD1 4.4Å; L6-F90 HydrophobicContact CD2-CE1 3.51Å; L6-F90 HydrophobicContact CD2-CZ 4Å; L6-F119 HydrophobicContact CB-CB 4.43Å; L6-F119 PolarHBondContact N-O 3.17Å; L6-F119 PolarHBondContact O-N 2.89Å; L6-F121 HydrophobicContact CB-CD2 4.49Å; L6-F121 HydrophobicContact CB-CE2 3.78Å; L6-F121 HydrophobicContact CD2-CE2 4.32Å; L6-L132 HydrophobicContact CB-CD2 3.91Å; L6-L132 HydrophobicContact CD1-CD2 4.13Å; L6-L132 HydrophobicContact CD2-CD2 4.44Å; L6-L132 HydrophobicContact CG-CD2 4.39Å |
| 7 | R | 94.2 | Very high | 93.4 | Very high | 112 Ų | 112 | 46.6 Ų | 46.6 | 42% | 0.423 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.3 | 172.8 | -65.5 | -176.2 | -174.1 | 151.3 | 4.1 | 109.2 | V5 V39 I116 H117 | V5-R7 HydrophobicContact CG1-CG 4.17Å; R7-V39 HydrophobicContact CB-CB 3.95Å; R7-V39 HydrophobicContact CB-CG2 3.98Å; R7-V39 PolarHBondContact O-N 3.23Å; R7-V39 VanDerWaalsContact O-N 3.07Å; R7-I116 HydrophobicContact CB-CG2 4.09Å; R7-I116 HydrophobicContact CG-CG2 4.41Å; R7-H117 WeakPolarHBondContact CA-O 3.45Å |
| 8 | L | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 142.5 | 173.8 | -53.3 | -178 | 0 | 0 | 0 | 109.5 | L6 V36 R37 L44 I88 F90 I116 H117 F119 | L6-L8 HydrophobicContact CD1-CD2 4.1Å; L6-L8 HydrophobicContact CD2-CD2 3.89Å; L6-L8 HydrophobicContact CD2-CG 4.31Å; L6-L8 HydrophobicContact CG-CD2 3.73Å; L6-L8 HydrophobicContact CG-CG 4.15Å; L8-V36 HydrophobicContact CB-CG1 4.33Å; L8-V36 HydrophobicContact CD1-CG1 3.87Å; L8-R37 CarbonylContact C-O 3.59Å; L8-R37 VanDerWaalsContact CA-O 3.28Å; L8-R37 WeakPolarHBondContact CA-O 3.36Å; L8-L44 HydrophobicContact CD2-CD1 3.91Å; L8-L44 HydrophobicContact CD2-CD2 3.68Å; L8-L44 HydrophobicContact CD2-CG 4.42Å; L8-I88 HydrophobicContact CD1-CD1 4.22Å; L8-F90 HydrophobicContact CD1-CE1 4.27Å; L8-F90 HydrophobicContact CD1-CZ 3.91Å; L8-I116 WeakPolarHBondContact O-CA 3.36Å; L8-H117 PolarHBondContact N-O 3.17Å; L8-H117 PolarHBondContact O-N 3.06Å; L8-F119 HydrophobicContact CB-CD2 4.37Å; L8-F119 HydrophobicContact CB-CE2 3.81Å; L8-F119 HydrophobicContact CD1-CD2 3.96Å; L8-F119 HydrophobicContact CD1-CE2 3.63Å; L8-F119 HydrophobicContact CD1-CZ 4.2Å; L8-F119 HydrophobicContact CG-CD2 3.88Å; L8-F119 HydrophobicContact CG-CE2 3.71Å |
| 9 | E | 97.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.7 | 164.2 | 57.2 | -179.9 | -150.5 | 0 | 0 | 109 | F35 V36 R37 V39 K114 I115 | E9-F35 HydrophobicContact CG-CE2 4.04Å; E9-V36 WeakPolarHBondContact O-CA 3.24Å; E9-R37 HydrophobicContact CG-CB 3.62Å; E9-R37 WeakPolarHBondContact CG-O 3.4Å; E9-R37 PolarHBondContact N-O 3.41Å; E9-R37 PolarHBondContact O-N 3.24Å; E9-R37 WeakPolarHBondContact OE1-CB 3.36Å; E9-V39 HydrophobicContact CB-CG2 4.17Å; E9-K114 HydrophobicContact CB-CB 4.41Å; E9-K114 HydrophobicContact CB-CD 3.99Å; E9-K114 WeakPolarHBondContact OE2-CD 3.39Å; E9-K114 WeakPolarHBondContact OE2-CE 3.31Å; E9-K114 IonicContact OE2-NZ 3.76Å; E9-K114 PolarHBondContact OE2-NZ 3.08Å; E9-I115 WeakPolarHBondContact CA-O 3.49Å |
| 10 | V | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.7 | 167.2 | -177.1 | 0 | 0 | 0 | 0 | 106.1 | F35 V36 I86 V99 Y101 K114 I115 | V10-F35 WeakPolarHBondContact CA-O 3.46Å; V10-V36 HydrophobicContact CG2-CG2 4.27Å; V10-I86 HydrophobicContact CG1-CD1 3.54Å; V10-V99 HydrophobicContact CB-CG1 4.44Å; V10-V99 HydrophobicContact CG1-CG1 4.16Å; V10-V99 HydrophobicContact CG2-CG1 4.25Å; V10-Y101 HydrophobicContact CB-CD2 4.47Å; V10-Y101 HydrophobicContact CG1-CD2 3.83Å; V10-Y101 HydrophobicContact CG1-CG 3.83Å; V10-Y101 WeakPolarHBondContact O-CE2 3.44Å; V10-K114 CarbonylContact O-C 3.31Å; V10-K114 WeakPolarHBondContact O-CA 3.25Å; V10-I115 HydrophobicContact CB-CG1 4.3Å; V10-I115 PolarHBondContact N-O 3.43Å; V10-I115 PolarHBondContact O-N 2.94Å |
| 11 | G | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 176.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V34 F35 Y101 V113 | G11-V34 CarbonylContact O-C 3.5Å; G11-V34 WeakPolarHBondContact O-CA 3.48Å; G11-V34 WeakPolarHBondContact O-CG2 3.29Å; G11-F35 PolarHBondContact N-O 3.13Å; G11-F35 VanDerWaalsContact N-O 3.08Å; G11-F35 WeakPolarHBondContact O-CD1 3.36Å; G11-F35 PolarHBondContact O-N 2.94Å; G11-Y101 VanDerWaalsContact CA-CZ 3.5Å; G11-Y101 WeakPolarHBondContact CA-OH 3.48Å; G11-V113 CarbonylContact C-O 3.51Å; G11-V113 WeakPolarHBondContact CA-O 3.29Å |
| 12 | H | 98.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.5 | 165.9 | 72.8 | -78 | 0 | 0 | 0 | 111.3 | T33 Y101 M103 N104 K112 V113 | H12-T33 CarbonylContact C-O 3.53Å; H12-T33 WeakPolarHBondContact CA-O 3.33Å; H12-T33 WeakPolarHBondContact CB-O 3.44Å; H12-Y101 HydrophobicContact CB-CE1 4.12Å; H12-Y101 PolarHBondContact N-OH 3.12Å; H12-Y101 AromaticContact ND1-CE1 3.64Å; H12-Y101 AromaticContact ND1-CZ 3.61Å; H12-Y101 PolarHBondContact ND1-OH 3.09Å; H12-M103 HydrophobicContact CB-CG 4.02Å; H12-M103 HydrophobicContact CB-SD 3.83Å; H12-N104 PolarHBondContact NE2-O 3.44Å; H12-K112 WeakPolarHBondContact O-CA 3.36Å; H12-V113 PolarHBondContact N-O 3.05Å; H12-V113 PolarHBondContact O-N 3.39Å |
| 13 | E | 98.7 | Very high | 96 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141 | 165.7 | 57.7 | -157.3 | -172.3 | 0 | 0 | 108.5 | W32 T33 F35 R37 D111 K112 | E13-W32 CarbonylContact O-C 3.18Å; E13-W32 VanDerWaalsContact O-CA 3.25Å; E13-W32 WeakPolarHBondContact O-CA 3.19Å; E13-T33 PolarHBondContact N-O 2.82Å; E13-T33 PolarHBondContact O-N 3.41Å; E13-F35 HydrophobicContact CB-CE1 4.44Å; E13-F35 HydrophobicContact CG-CE1 4.38Å; E13-R37 IonicContact OE1-CZ 3.85Å; E13-R37 IonicContact OE1-NH1 2.67Å; E13-R37 IonicContact OE1-NH2 3.14Å; E13-R37 PolarHBondContact OE1-NH2 2.94Å; E13-R37 IonicContact OE2-CZ 2.88Å; E13-R37 IonicContact OE2-NH1 2.8Å; E13-R37 PolarHBondContact OE2-NH1 2.92Å; E13-R37 IonicContact OE2-NH2 3.76Å; E13-D111 CarbonylContact C-O 3.51Å; E13-D111 VanDerWaalsContact CA-O 3.25Å; E13-D111 WeakPolarHBondContact CA-O 3.46Å; E13-K112 HydrophobicContact CB-CB 4.33Å; E13-K112 HydrophobicContact CB-CD 4.45Å; E13-K112 HydrophobicContact CB-CG 4.21Å; E13-K112 IonicContact OE2-NZ 2.83Å; E13-K112 PolarHBondContact OE2-NZ 2.89Å |
| 14 | S | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 154.9 | -179.1 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | R31 Q110 D111 | S14-R31 CarbonylContact C-O 3.5Å; S14-R31 VanDerWaalsContact CA-O 3.26Å; S14-R31 WeakPolarHBondContact CA-O 3.46Å; S14-Q110 WeakPolarHBondContact O-CA 3.47Å; S14-D111 PolarHBondContact N-O 2.96Å; S14-D111 PolarHBondContact O-N 2.76Å |
| 15 | V | 98.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 30% | 0.297 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 132.7 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | H30 R31 P109 Q110 | V15-H30 CarbonylContact O-C 3.54Å; V15-H30 VanDerWaalsContact O-CA 3.31Å; V15-H30 WeakPolarHBondContact O-CA 3.48Å; V15-R31 PolarHBondContact N-O 3.38Å; V15-R31 PolarHBondContact O-N 2.99Å; V15-P109 WeakPolarHBondContact CA-O 3.19Å; V15-Q110 HydrophobicContact CG2-CG 4.15Å |
| 16 | M | 98.5 | Very high | 97 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 139 | 172.3 | -79.7 | -175.7 | 69.8 | 0 | 0 | 110.4 | H30 Y107 V108 P109 | M16-H30 VanDerWaalsContact CG-NE2 3.34Å; M16-H30 WeakPolarHBondContact CG-NE2 3.35Å; M16-Y107 HydrophobicContact CE-CD1 3.96Å; M16-Y107 HydrophobicContact CE-CD2 3.89Å; M16-Y107 HydrophobicContact CE-CE1 3.52Å; M16-Y107 HydrophobicContact CE-CE2 3.44Å; M16-Y107 VanDerWaalsContact CE-CE2 3.44Å; M16-Y107 HydrophobicContact CE-CG 4.14Å; M16-Y107 HydrophobicContact SD-CD1 4.1Å; M16-Y107 HydrophobicContact SD-CD2 4.35Å; M16-Y107 HydrophobicContact SD-CE1 4.23Å; M16-Y107 HydrophobicContact SD-CE2 4.47Å; M16-Y107 HydrophobicContact SD-CG 4.18Å; M16-V108 VanDerWaalsContact CG-O 3.32Å; M16-V108 WeakPolarHBondContact CG-O 3.49Å; M16-P109 PolarHBondContact N-O 2.81Å |
| 17 | L | 98.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 144.4 | 172 | -59.9 | 169.5 | 0 | 0 | 0 | 109.2 | A19 I21 H28 T29 R31 | L17-A19 WeakPolarHBondContact CB-O 3.38Å; L17-A19 PolarHBondContact O-N 2.79Å; L17-I21 HydrophobicContact CD1-CD1 3.61Å; L17-I21 HydrophobicContact CD1-CG1 3.88Å; L17-H28 HydrophobicContact CD1-CB 4.49Å; L17-T29 PolarHBondContact N-O 2.66Å; L17-R31 HydrophobicContact CD2-CB 4.11Å |
| 18 | D | 97.7 | Very high | 97.5 | Very high | 182 Ų | 182 | 59.5 Ų | 59.5 | 97% | 0.973 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | -32.5 | 176.8 | -64.3 | -34.5 | 0 | 0 | 0 | 112.1 | ||
| 19 | A | 97.9 | Very high | 97.5 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 144.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L17 | L17-A19 WeakPolarHBondContact CB-O 3.38Å; L17-A19 PolarHBondContact O-N 2.79Å |
| 20 | P | 97.6 | Very high | 97.6 | Very high | 82 Ų | 82 | 60.2 Ų | 60.2 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 138.1 | 176.3 | -23.5 | 33.7 | 0 | 0 | 0 | 112.6 | P27 H28 | P20-P27 HydrophobicContact CB-CB 3.79Å; P20-H28 CarbonylContact C-O 3.51Å; P20-H28 WeakPolarHBondContact CA-O 3.23Å |
| 21 | I | 98.1 | Very high | 97.6 | Very high | 75 Ų | 75 | 66 Ų | 66 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124 | 172.6 | -64.5 | 163.6 | 0 | 0 | 0 | 108.2 | L17 A23 P27 H28 T77 | L17-I21 HydrophobicContact CD1-CD1 3.61Å; L17-I21 HydrophobicContact CD1-CG1 3.88Å; I21-A23 PolarHBondContact O-N 2.9Å; I21-P27 CarbonylContact O-C 3.59Å; I21-P27 VanDerWaalsContact O-CA 3.28Å; I21-P27 WeakPolarHBondContact O-CA 3.42Å; I21-H28 HydrophobicContact CB-CB 4.25Å; I21-H28 PolarHBondContact N-O 3Å; I21-H28 PolarHBondContact O-N 3.02Å; I21-T77 HydrophobicContact CD1-CG2 4.02Å |
| 22 | P | 97.9 | Very high | 97.6 | Very high | 119 Ų | 119 | 66.1 Ų | 66.1 | 77% | 0.773 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 125.3 | 174.8 | -24.6 | 34.7 | 0 | 0 | 0 | 111.7 | ||
| 23 | A | 95.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | trans | -155.6 | 162.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I21 Y26 H28 | I21-A23 PolarHBondContact O-N 2.9Å; A23-Y26 CarbonylContact C-O 3.55Å; A23-Y26 CarbonylContact O-C 3.56Å; A23-H28 VanDerWaalsContact CB-CD2 3.47Å; A23-H28 WeakPolarHBondContact CB-CD2 3.47Å | ||
| 24 | E | 93.4 | Very high | 97.6 | Very high | 171 Ų | 171 | 63.7 Ų | 63.7 | 80% | 0.799 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -103.4 | 144.1 | 173.3 | -64.6 | -65.7 | 166.6 | 0 | 0 | 109.3 | Y26 | E24-Y26 VanDerWaalsContact C-N 3.34Š|
| 25 | P | 93.7 | Very high | 97.6 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | S | Bend | cis | -81.3 | -8.9 | -3.5 | 31.5 | -32.7 | 0 | 0 | 0 | 113.6 | Y79 | P25-Y79 WeakPolarHBondContact CD-OH 3.48Å; P25-Y79 VanDerWaalsContact CG-OH 3.27Å; P25-Y79 WeakPolarHBondContact CG-OH 3.36Å |
| 26 | Y | 96.3 | Very high | 97.6 | Very high | 145 Ų | 145 | 61.4 Ų | 61.4 | 57% | 0.569 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -138.6 | 152.3 | 177 | -58.2 | -81.7 | 0 | 0 | 0 | 111.6 | A23 E24 Y79 | A23-Y26 CarbonylContact C-O 3.55Å; A23-Y26 CarbonylContact O-C 3.56Å; E24-Y26 VanDerWaalsContact C-N 3.34Å; Y26-Y79 HydrophobicContact CD2-CD2 4.2Å; Y26-Y79 HydrophobicContact CD2-CE1 4.21Å; Y26-Y79 AromaticContact CD2-CE2 3.44Å; Y26-Y79 HydrophobicContact CD2-CE2 3.44Å; Y26-Y79 VanDerWaalsContact CD2-CE2 3.44Å; Y26-Y79 AromaticContact CD2-CZ 3.47Å; Y26-Y79 VanDerWaalsContact CD2-CZ 3.47Å; Y26-Y79 HydrophobicContact CE2-CE2 4.25Å; Y26-Y79 HydrophobicContact CG-CD2 4.46Å; Y26-Y79 HydrophobicContact CG-CE2 4.11Å |
| 27 | P | 97.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | trans | -58 | 139 | 173.2 | -23.1 | 33.4 | 0 | 0 | 0 | 112.2 | P20 I21 | P20-P27 HydrophobicContact CB-CB 3.79Å; I21-P27 CarbonylContact O-C 3.59Å; I21-P27 VanDerWaalsContact O-CA 3.28Å; I21-P27 WeakPolarHBondContact O-CA 3.42Å | ||
| 28 | H | 98.3 | Very high | 97.4 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.8 | 174.3 | -64.9 | -175.2 | 0 | 0 | 0 | 109.8 | L17 P20 I21 A23 T77 | L17-H28 HydrophobicContact CD1-CB 4.49Å; P20-H28 CarbonylContact C-O 3.51Å; P20-H28 WeakPolarHBondContact CA-O 3.23Å; I21-H28 HydrophobicContact CB-CB 4.25Å; I21-H28 PolarHBondContact N-O 3Å; I21-H28 PolarHBondContact O-N 3.02Å; A23-H28 VanDerWaalsContact CB-CD2 3.47Å; A23-H28 WeakPolarHBondContact CB-CD2 3.47Å; H28-T77 PolarHBondContact CE1-O 2.85Å; H28-T77 VanDerWaalsContact CE1-O 3.29Å; H28-T77 VanDerWaalsContact ND1-C 3.26Å; H28-T77 WeakPolarHBondContact ND1-CB 3.11Å; H28-T77 PolarHBondContact ND1-O 2.92Å; H28-T77 PolarHBondContact ND1-OG1 3.07Å |
| 29 | T | 98.5 | Very high | 97.1 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -19.7 | -176.4 | 47.3 | 0 | 0 | 0 | 0 | 112.8 | L17 G78 | L17-T29 PolarHBondContact N-O 2.66Å; T29-G78 PolarHBondContact N-O 3.35Å |
| 30 | H | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 151.2 | -176.5 | -59.5 | 74 | 0 | 0 | 0 | 111.2 | V15 M16 T77 G78 L105 R106 | V15-H30 CarbonylContact O-C 3.54Å; V15-H30 VanDerWaalsContact O-CA 3.31Å; V15-H30 WeakPolarHBondContact O-CA 3.48Å; M16-H30 VanDerWaalsContact CG-NE2 3.34Å; M16-H30 WeakPolarHBondContact CG-NE2 3.35Å; H30-T77 CarbonylContact O-C 3.6Å; H30-T77 WeakPolarHBondContact O-CA 3.41Å; H30-T77 WeakPolarHBondContact O-CB 3.4Å; H30-G78 PolarHBondContact N-O 2.87Å; H30-G78 PolarHBondContact O-N 2.75Å; H30-L105 HydrophobicContact CB-CD1 4.14Å; H30-L105 HydrophobicContact CB-CD2 4.47Å; H30-R106 PolarHBondContact NE2-O 3.47Å |
| 31 | R | 98.7 | Very high | 95.8 | Very high | 122 Ų | 122 | 55.2 Ų | 55.2 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.6 | 151.9 | -176.6 | 173.9 | 62.8 | 88 | 0.6 | 108.1 | S14 V15 L17 T75 E76 T77 | S14-R31 CarbonylContact C-O 3.5Å; S14-R31 VanDerWaalsContact CA-O 3.26Å; S14-R31 WeakPolarHBondContact CA-O 3.46Å; V15-R31 PolarHBondContact N-O 3.38Å; V15-R31 PolarHBondContact O-N 2.99Å; L17-R31 HydrophobicContact CD2-CB 4.11Å; R31-T75 HydrophobicContact CG-CG2 4.08Å; R31-E76 WeakPolarHBondContact CA-O 3.38Å; R31-T77 HydrophobicContact CB-CG2 4.24Å; R31-T77 HydrophobicContact CG-CG2 4.44Å |
| 32 | W | 98.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.7 | -178.1 | 57 | -96 | 0 | 0 | 0 | 111.6 | E13 V34 L56 F60 T75 E76 T77 F82 M103 L105 | E13-W32 CarbonylContact O-C 3.18Å; E13-W32 VanDerWaalsContact O-CA 3.25Å; E13-W32 WeakPolarHBondContact O-CA 3.19Å; W32-V34 HydrophobicContact CZ3-CB 4.22Å; W32-V34 HydrophobicContact CZ3-CG1 3.93Å; W32-L56 HydrophobicContact CH2-CD1 4.15Å; W32-L56 HydrophobicContact CH2-CD2 3.93Å; W32-L56 HydrophobicContact CZ3-CD2 4.46Å; W32-F60 AromaticContact CZ2-CE1 3.77Å; W32-F60 HydrophobicContact CZ2-CE1 3.77Å; W32-F60 HydrophobicContact CZ2-CE2 4.32Å; W32-F60 AromaticContact CZ2-CZ 3.63Å; W32-F60 HydrophobicContact CZ2-CZ 3.63Å; W32-T75 CarbonylContact O-C 3.51Å; W32-T75 VanDerWaalsContact O-CA 3.29Å; W32-T75 WeakPolarHBondContact O-CA 3.44Å; W32-T75 WeakPolarHBondContact O-CG2 3.1Å; W32-E76 HydrophobicContact CD2-CB 4.13Å; W32-E76 HydrophobicContact CE3-CB 4.4Å; W32-E76 HydrophobicContact CH2-CB 3.6Å; W32-E76 HydrophobicContact CH2-CG 4Å; W32-E76 HydrophobicContact CZ2-CB 3.26Å; W32-E76 HydrophobicContact CZ2-CG 4Å; W32-E76 HydrophobicContact CZ3-CB 4.15Å; W32-E76 PolarHBondContact N-O 2.95Å; W32-E76 PolarHBondContact O-N 3.32Å; W32-T77 VanDerWaalsContact NE1-C 3.32Å; W32-T77 PolarHBondContact NE1-O 2.91Å; W32-F82 HydrophobicContact CH2-CZ 4.01Å; W32-F82 HydrophobicContact CZ2-CE1 4.15Å; W32-F82 AromaticContact CZ2-CZ 3.97Å; W32-F82 HydrophobicContact CZ2-CZ 3.97Å; W32-M103 HydrophobicContact CD2-CE 3.71Å; W32-M103 HydrophobicContact CD2-SD 3.94Å; W32-M103 HydrophobicContact CE3-CE 3.88Å; W32-M103 HydrophobicContact CE3-SD 3.72Å; W32-M103 HydrophobicContact CG-CE 4.21Å; W32-M103 HydrophobicContact CG-SD 4.32Å; W32-M103 HydrophobicContact CH2-CE 4.22Å; W32-M103 HydrophobicContact CZ2-CE 4.04Å; W32-M103 HydrophobicContact CZ3-CE 4.15Å; W32-M103 HydrophobicContact CZ3-SD 4.24Å; W32-L105 HydrophobicContact CB-CD2 3.61Å; W32-L105 HydrophobicContact CG-CD1 4.37Å; W32-L105 HydrophobicContact CG-CD2 3.95Å |
| 33 | T | 98.8 | Very high | 95 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 117.5 | 174.3 | -61.4 | 0 | 0 | 0 | 0 | 108.7 | H12 E13 E73 V74 T75 | H12-T33 CarbonylContact C-O 3.53Å; H12-T33 WeakPolarHBondContact CA-O 3.33Å; H12-T33 WeakPolarHBondContact CB-O 3.44Å; E13-T33 PolarHBondContact N-O 2.82Å; E13-T33 PolarHBondContact O-N 3.41Å; T33-E73 HydrophobicContact CG2-CB 3.79Å; T33-E73 HydrophobicContact CG2-CG 4.08Å; T33-V74 CarbonylContact C-O 3.59Å; T33-V74 VanDerWaalsContact CA-O 3.25Å; T33-V74 WeakPolarHBondContact CA-O 3.44Å; T33-T75 PolarHBondContact OG1-OG1 3.04Å |
| 34 | V | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 140.5 | 167.6 | 66.3 | 0 | 0 | 0 | 0 | 109.3 | G11 W32 F54 E73 V74 I84 I86 Y101 | G11-V34 CarbonylContact O-C 3.5Å; G11-V34 WeakPolarHBondContact O-CA 3.48Å; G11-V34 WeakPolarHBondContact O-CG2 3.29Å; W32-V34 HydrophobicContact CZ3-CB 4.22Å; W32-V34 HydrophobicContact CZ3-CG1 3.93Å; V34-F54 HydrophobicContact CG1-CD1 3.67Å; V34-F54 HydrophobicContact CG1-CE1 3.97Å; V34-F54 HydrophobicContact CG1-CG 4.31Å; V34-F54 HydrophobicContact CG2-CD1 4.12Å; V34-F54 HydrophobicContact CG2-CE1 4.06Å; V34-E73 CarbonylContact O-C 3.55Å; V34-E73 WeakPolarHBondContact O-CA 3.49Å; V34-E73 VanDerWaalsContact O-CB 3.26Å; V34-E73 WeakPolarHBondContact O-CB 3.26Å; V34-V74 HydrophobicContact CG1-CB 4.02Å; V34-V74 PolarHBondContact N-O 3.09Å; V34-V74 PolarHBondContact O-N 2.67Å; V34-I84 HydrophobicContact CB-CD1 4.1Å; V34-I84 HydrophobicContact CG1-CD1 4.33Å; V34-I84 HydrophobicContact CG2-CD1 3.9Å; V34-I86 HydrophobicContact CG2-CD1 4.17Å; V34-Y101 HydrophobicContact CG2-CD1 4.08Å; V34-Y101 HydrophobicContact CG2-CE1 4.37Å |
| 35 | F | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 154.5 | -172.1 | 60.3 | -103.1 | 0 | 0 | 0 | 114 | E9 V10 G11 E13 R37 F72 E73 K114 | E9-F35 HydrophobicContact CG-CE2 4.04Å; V10-F35 WeakPolarHBondContact CA-O 3.46Å; G11-F35 PolarHBondContact N-O 3.13Å; G11-F35 VanDerWaalsContact N-O 3.08Å; G11-F35 WeakPolarHBondContact O-CD1 3.36Å; G11-F35 PolarHBondContact O-N 2.94Å; E13-F35 HydrophobicContact CB-CE1 4.44Å; E13-F35 HydrophobicContact CG-CE1 4.38Å; F35-R37 HydrophobicContact CB-CG 4.12Å; F35-R37 VanDerWaalsContact CD1-NH1 3.32Å; F35-R37 HydrophobicContact CD2-CB 4.19Å; F35-R37 VanDerWaalsContact CD2-CD 3.49Å; F35-R37 HydrophobicContact CD2-CG 3.7Å; F35-R37 HydrophobicContact CE2-CG 4.48Å; F35-R37 HydrophobicContact CG-CG 4.15Å; F35-F72 WeakPolarHBondContact CA-O 3.46Å; F35-E73 HydrophobicContact CB-CB 3.82Å; F35-K114 HydrophobicContact CZ-CB 4.49Å |
| 36 | V | 98.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 113.4 | 161.9 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | L8 E9 V10 V52 F54 F72 I86 I88 | L8-V36 HydrophobicContact CB-CG1 4.33Å; L8-V36 HydrophobicContact CD1-CG1 3.87Å; E9-V36 WeakPolarHBondContact O-CA 3.24Å; V10-V36 HydrophobicContact CG2-CG2 4.27Å; V36-V52 HydrophobicContact CB-CG1 4.49Å; V36-V52 HydrophobicContact CB-CG2 4.41Å; V36-V52 HydrophobicContact CG2-CG1 3.8Å; V36-V52 HydrophobicContact CG2-CG2 4.49Å; V36-F54 HydrophobicContact CG2-CE1 4.1Å; V36-F54 HydrophobicContact CG2-CZ 4.01Å; V36-F72 HydrophobicContact CB-CB 4.31Å; V36-F72 PolarHBondContact N-O 2.8Å; V36-I86 HydrophobicContact CG2-CG2 4.04Å; V36-I88 HydrophobicContact CG1-CD1 3.89Å; V36-I88 HydrophobicContact CG2-CD1 4.18Å; V36-I88 HydrophobicContact CG2-CG1 4.45Å |
| 37 | R | 97.5 | Very high | 94.2 | Very high | 58 Ų | 58 | 48 Ų | 48 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 161.4 | -177.3 | -62.7 | 169 | -179.9 | 160.8 | -9.5 | 110.3 | L8 E9 E13 F35 E73 K112 | L8-R37 CarbonylContact C-O 3.59Å; L8-R37 VanDerWaalsContact CA-O 3.28Å; L8-R37 WeakPolarHBondContact CA-O 3.36Å; E9-R37 HydrophobicContact CG-CB 3.62Å; E9-R37 WeakPolarHBondContact CG-O 3.4Å; E9-R37 PolarHBondContact N-O 3.41Å; E9-R37 PolarHBondContact O-N 3.24Å; E9-R37 WeakPolarHBondContact OE1-CB 3.36Å; E13-R37 IonicContact OE1-CZ 3.85Å; E13-R37 IonicContact OE1-NH1 2.67Å; E13-R37 IonicContact OE1-NH2 3.14Å; E13-R37 PolarHBondContact OE1-NH2 2.94Å; E13-R37 IonicContact OE2-CZ 2.88Å; E13-R37 IonicContact OE2-NH1 2.8Å; E13-R37 PolarHBondContact OE2-NH1 2.92Å; E13-R37 IonicContact OE2-NH2 3.76Å; F35-R37 HydrophobicContact CB-CG 4.12Å; F35-R37 VanDerWaalsContact CD1-NH1 3.32Å; F35-R37 HydrophobicContact CD2-CB 4.19Å; F35-R37 VanDerWaalsContact CD2-CD 3.49Å; F35-R37 HydrophobicContact CD2-CG 3.7Å; F35-R37 HydrophobicContact CE2-CG 4.48Å; F35-R37 HydrophobicContact CG-CG 4.15Å; R37-E73 IonicContact CZ-OE2 2.98Å; R37-E73 IonicContact NE-OE2 3.61Å; R37-E73 PolarHBondContact NE-OE2 3.3Å; R37-E73 IonicContact NH2-OE2 2.95Å; R37-E73 PolarHBondContact NH2-OE2 3.38Å; R37-K112 VanDerWaalsContact NH1-NZ 3.2Å |
| 38 | S | 94.5 | Very high | 93.9 | Very high | 25 Ų | 25 | 45 Ų | 45 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 138.1 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 110 | S40 V42 | S38-S40 VanDerWaalsContact C-N 3.26Å; S38-S40 WeakPolarHBondContact CB-O 3.29Å; S38-S40 PolarHBondContact OG-N 2.84Å; S38-S40 VanDerWaalsContact OG-N 3.09Å; S38-S40 PolarHBondContact OG-O 3.13Å; S38-S40 PolarHBondContact OG-OG 2.84Å; S38-V42 WeakPolarHBondContact CB-O 3.36Å; S38-V42 PolarHBondContact OG-O 3.11Å |
| 39 | V | 92 | Very high | 93.7 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -72.8 | -24.5 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | R7 E9 I116 | R7-V39 HydrophobicContact CB-CB 3.95Å; R7-V39 HydrophobicContact CB-CG2 3.98Å; R7-V39 PolarHBondContact O-N 3.23Å; R7-V39 VanDerWaalsContact O-N 3.07Å; E9-V39 HydrophobicContact CB-CG2 4.17Å; V39-I116 HydrophobicContact CG1-CD1 4.42Å; V39-I116 HydrophobicContact CG2-CD1 4.26Å; V39-I116 HydrophobicContact CG2-CG1 4.05Å; V39-I116 HydrophobicContact CG2-CG2 4.09Å |
| 40 | S | 84 | Confident | 93.6 | Very high | 41 Ų | 41 | 45 Ų | 45 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -112 | -179.2 | -177.7 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | S38 V42 | S38-S40 VanDerWaalsContact C-N 3.26Å; S38-S40 WeakPolarHBondContact CB-O 3.29Å; S38-S40 PolarHBondContact OG-N 2.84Å; S38-S40 VanDerWaalsContact OG-N 3.09Å; S38-S40 PolarHBondContact OG-O 3.13Å; S38-S40 PolarHBondContact OG-OG 2.84Å; S40-V42 PolarHBondContact O-N 3.03Å; S40-V42 WeakPolarHBondContact OG-CG2 3.45Å; S40-V42 PolarHBondContact OG-N 2.94Å |
| 41 | S | 83.2 | Confident | 93.5 | Very high | 98 Ų | 98 | 46.8 Ų | 46.8 | 69% | 0.685 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -68.6 | 2.8 | 173.7 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | R43 | S41-R43 PolarHBondContact O-N 2.73Å; S41-R43 VanDerWaalsContact O-N 3.16Å |
| 42 | V | 88.9 | Confident | 93.5 | Very high | 10 Ų | 10 | 41 Ų | 41 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | trans | -60.7 | 118.6 | 174 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | L6 S38 S40 L44 L48 A135 | L6-V42 HydrophobicContact CD1-CB 4.08Å; L6-V42 HydrophobicContact CD1-CG1 3.84Å; L6-V42 HydrophobicContact CD1-CG2 4.27Å; S38-V42 WeakPolarHBondContact CB-O 3.36Å; S38-V42 PolarHBondContact OG-O 3.11Å; S40-V42 PolarHBondContact O-N 3.03Å; S40-V42 WeakPolarHBondContact OG-CG2 3.45Å; S40-V42 PolarHBondContact OG-N 2.94Å; V42-L44 HydrophobicContact CG1-CD2 4.47Å; V42-L44 PolarHBondContact O-N 3.37Å; V42-L48 HydrophobicContact CG1-CD2 3.54Å; V42-A135 HydrophobicContact CG2-CB 3.76Å | ||
| 43 | R | 90.3 | Very high | 93.5 | Very high | 208 Ų | 208 | 41.3 Ų | 41.3 | 79% | 0.785 | 22% | 0.218 | S | C | * | . | trans | -73.2 | 122.4 | 174.3 | -64.5 | -175.8 | 178.7 | -169.2 | -1.1 | 110.1 | S41 D45 | S41-R43 PolarHBondContact O-N 2.73Å; S41-R43 VanDerWaalsContact O-N 3.16Å; R43-D45 PolarHBondContact O-N 3.26Å; R43-D45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | L | 93.1 | Very high | 93.5 | Very high | 18 Ų | 18 | 41 Ų | 41 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | trans | -84.4 | 65.1 | 172.5 | -52.4 | -173.4 | 0 | 0 | 0 | 109.7 | L8 V42 L48 V49 A70 F72 | L8-L44 HydrophobicContact CD2-CD1 3.91Å; L8-L44 HydrophobicContact CD2-CD2 3.68Å; L8-L44 HydrophobicContact CD2-CG 4.42Å; V42-L44 HydrophobicContact CG1-CD2 4.47Å; V42-L44 PolarHBondContact O-N 3.37Å; L44-L48 HydrophobicContact CD2-CD2 3.85Å; L44-V49 HydrophobicContact CB-CG2 4.19Å; L44-V49 HydrophobicContact CD2-CG2 4.26Å; L44-A70 WeakPolarHBondContact O-CB 3.38Å; L44-F72 HydrophobicContact CB-CD2 4.12Å; L44-F72 HydrophobicContact CB-CE2 3.9Å; L44-F72 HydrophobicContact CD1-CD2 4.49Å; L44-F72 VanDerWaalsContact O-CE2 3.24Å; L44-F72 WeakPolarHBondContact O-CE2 3.36Å | ||
| 45 | D | 90.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | trans | -81.2 | 171.4 | 174.2 | 64.3 | 21 | 0 | 0 | 0 | 111.5 | R43 N47 L48 V49 R131 | R43-D45 PolarHBondContact O-N 3.26Å; R43-D45 VanDerWaalsContact O-N 3.11Å; D45-N47 PolarHBondContact O-N 2.99Å; D45-N47 WeakPolarHBondContact OD1-CB 3.28Å; D45-N47 PolarHBondContact OD1-N 3.02Å; D45-N47 VanDerWaalsContact OD1-N 3.11Å; D45-L48 PolarHBondContact O-N 2.95Å; D45-L48 PolarHBondContact OD1-N 2.83Å; D45-V49 PolarHBondContact O-N 3.33Å; D45-R131 IonicContact OD1-CZ 2.99Å; D45-R131 IonicContact OD1-NH1 3.96Å; D45-R131 PolarHBondContact OD1-NH1 2.93Å; D45-R131 IonicContact OD2-CZ 3.53Å; D45-R131 IonicContact OD2-NH1 3.57Å; D45-R131 PolarHBondContact OD2-NH1 2.92Å; D45-R131 IonicContact OD2-NH2 3.38Å | ||
| 46 | S | 89.1 | Confident | 93.5 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 51% | 0.51 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -5.9 | 178 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | V49 V91 | S46-V49 WeakPolarHBondContact CA-O 3.45Å; S46-V91 VanDerWaalsContact O-CG2 3.31Å; S46-V91 WeakPolarHBondContact O-CG2 3.42Å |
| 47 | N | 88.3 | Confident | 93.4 | Very high | 103 Ų | 103 | 48 Ų | 48 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -11 | 172.5 | -62.7 | -65 | 0 | 0 | 0 | 112.8 | D45 | D45-N47 PolarHBondContact O-N 2.99Å; D45-N47 WeakPolarHBondContact OD1-CB 3.28Å; D45-N47 PolarHBondContact OD1-N 3.02Å; D45-N47 VanDerWaalsContact OD1-N 3.11Å |
| 48 | L | 91.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -52.4 | 175.8 | 176.5 | 59 | 0 | 0 | 0 | 111.1 | L6 V42 L44 D45 F90 V91 L128 | L6-L48 HydrophobicContact CD2-CD2 4.16Å; V42-L48 HydrophobicContact CG1-CD2 3.54Å; L44-L48 HydrophobicContact CD2-CD2 3.85Å; D45-L48 PolarHBondContact O-N 2.95Å; D45-L48 PolarHBondContact OD1-N 2.83Å; L48-F90 HydrophobicContact CD1-CD1 4.3Å; L48-F90 HydrophobicContact CG-CD1 4.46Å; L48-F90 WeakPolarHBondContact O-CA 3.14Å; L48-F90 WeakPolarHBondContact O-CD1 3.4Å; L48-V91 PolarHBondContact O-N 3.08Å; L48-L128 HydrophobicContact CD1-CD1 3.3Å |
| 49 | V | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.1 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 108 | L44 D45 S46 V52 F72 I88 F90 | L44-V49 HydrophobicContact CB-CG2 4.19Å; L44-V49 HydrophobicContact CD2-CG2 4.26Å; D45-V49 PolarHBondContact O-N 3.33Å; S46-V49 WeakPolarHBondContact CA-O 3.45Å; V49-V52 HydrophobicContact CG1-CG2 3.84Å; V49-F72 HydrophobicContact CB-CE1 4.38Å; V49-F72 HydrophobicContact CB-CE2 3.6Å; V49-F72 HydrophobicContact CB-CZ 3.53Å; V49-F72 HydrophobicContact CG1-CD1 4.4Å; V49-F72 HydrophobicContact CG1-CD2 4.33Å; V49-F72 HydrophobicContact CG1-CE1 3.82Å; V49-F72 HydrophobicContact CG1-CE2 3.74Å; V49-F72 HydrophobicContact CG1-CZ 3.47Å; V49-F72 VanDerWaalsContact CG1-CZ 3.47Å; V49-F72 HydrophobicContact CG2-CE2 4.15Å; V49-I88 HydrophobicContact CG1-CG2 4.48Å; V49-F90 HydrophobicContact CG2-CD1 4.08Å; V49-F90 HydrophobicContact CG2-CE1 3.98Å |
| 50 | E | 95.3 | Very high | 93.4 | Very high | 65 Ų | 65 | 54 Ų | 54 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -45.5 | 179.7 | -174.6 | -168.3 | 134.3 | 0 | 0 | 110.7 | R89 V91 | E50-R89 HydrophobicContact CB-CB 4.47Å; E50-R89 HydrophobicContact CB-CG 4.32Å; E50-R89 WeakPolarHBondContact CB-O 3.38Å; E50-R89 PolarHBondContact N-O 2.88Å; E50-R89 WeakPolarHBondContact OE1-CD 3.27Å; E50-R89 IonicContact OE1-CZ 3.91Å; E50-R89 VanDerWaalsContact OE1-CZ 3.25Å; E50-R89 IonicContact OE1-NE 2.9Å; E50-R89 IonicContact OE1-NH1 3.43Å; E50-R89 PolarHBondContact OE1-NH1 3.14Å; E50-R89 VanDerWaalsContact OE2-CD 3.29Å; E50-R89 WeakPolarHBondContact OE2-CD 2.91Å; E50-R89 IonicContact OE2-CZ 2.9Å; E50-R89 IonicContact OE2-NE 2.66Å; E50-R89 PolarHBondContact OE2-NE 3.26Å; E50-R89 IonicContact OE2-NH1 2.76Å; E50-R89 PolarHBondContact OE2-NH1 2.8Å; E50-R89 IonicContact OE2-NH2 3.25Å; E50-V91 HydrophobicContact CB-CG2 4Å |
| 51 | K | 97.6 | Very high | 93.8 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 17% | 0.17 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 155 | 177.5 | 62.5 | -177.9 | -173.9 | -174.1 | 0 | 111.1 | V53 V66 V67 T68 R89 E96 | K51-V53 HydrophobicContact CD-CG2 4.3Å; K51-V66 HydrophobicContact CB-CG1 4.38Å; K51-V66 HydrophobicContact CD-CG1 4.46Å; K51-V67 CarbonylContact C-O 3.54Å; K51-V67 VanDerWaalsContact CA-O 3.23Å; K51-V67 WeakPolarHBondContact CA-O 3.42Å; K51-T68 HydrophobicContact CB-CG2 4.23Å; K51-R89 HydrophobicContact CG-CB 3.91Å; K51-R89 PolarHBondContact N-O 2.9Å; K51-R89 PolarHBondContact O-N 2.92Å; K51-E96 IonicContact NZ-OE1 3.47Å; K51-E96 PolarHBondContact NZ-OE1 2.84Å |
| 52 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.1 | 162.1 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | V36 V49 F54 V67 F72 I86 V87 I88 | V36-V52 HydrophobicContact CB-CG1 4.49Å; V36-V52 HydrophobicContact CB-CG2 4.41Å; V36-V52 HydrophobicContact CG2-CG1 3.8Å; V36-V52 HydrophobicContact CG2-CG2 4.49Å; V49-V52 HydrophobicContact CG1-CG2 3.84Å; V52-F54 HydrophobicContact CB-CE2 3.99Å; V52-F54 HydrophobicContact CB-CZ 4.34Å; V52-F54 HydrophobicContact CG1-CD2 4.01Å; V52-F54 HydrophobicContact CG1-CE1 4.07Å; V52-F54 HydrophobicContact CG1-CE2 3.42Å; V52-F54 VanDerWaalsContact CG1-CE2 3.42Å; V52-F54 HydrophobicContact CG1-CZ 3.45Å; V52-F54 VanDerWaalsContact CG1-CZ 3.45Å; V52-V67 PolarHBondContact N-O 2.83Å; V52-V67 PolarHBondContact O-N 2.9Å; V52-F72 HydrophobicContact CB-CB 4.26Å; V52-F72 HydrophobicContact CB-CD1 3.94Å; V52-F72 HydrophobicContact CB-CG 4.37Å; V52-F72 HydrophobicContact CG2-CB 3.84Å; V52-F72 HydrophobicContact CG2-CD1 3.55Å; V52-F72 HydrophobicContact CG2-CD2 4.45Å; V52-F72 HydrophobicContact CG2-CE1 4.2Å; V52-F72 HydrophobicContact CG2-CG 3.7Å; V52-I86 HydrophobicContact CG1-CG2 3.71Å; V52-V87 CarbonylContact C-O 3.55Å; V52-V87 WeakPolarHBondContact CA-O 3.47Å; V52-I88 HydrophobicContact CG1-CG1 4.36Å; V52-I88 HydrophobicContact CG2-CG1 4.38Å; V52-I88 HydrophobicContact CG2-CG2 4.49Å |
| 53 | V | 98.7 | Very high | 94.8 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.5 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | K51 R64 R65 V66 I86 V87 | K51-V53 HydrophobicContact CD-CG2 4.3Å; V53-R64 HydrophobicContact CG1-CG 3.92Å; V53-R65 CarbonylContact C-O 3.56Å; V53-R65 VanDerWaalsContact CA-O 3.29Å; V53-R65 WeakPolarHBondContact CA-O 3.42Å; V53-V66 HydrophobicContact CG1-CG2 4.2Å; V53-V66 HydrophobicContact CG2-CG1 4.34Å; V53-V66 HydrophobicContact CG2-CG2 4.17Å; V53-I86 CarbonylContact O-C 3.51Å; V53-I86 VanDerWaalsContact O-CA 3.28Å; V53-I86 WeakPolarHBondContact O-CA 3.28Å; V53-V87 HydrophobicContact CB-CB 4.15Å; V53-V87 PolarHBondContact N-O 3.16Å; V53-V87 PolarHBondContact O-N 3.19Å |
| 54 | F | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.9 | 171.2 | -56.4 | -94.6 | 0 | 0 | 0 | 108.1 | V34 V36 V52 L56 R65 V67 F72 V74 I84 I86 | V34-F54 HydrophobicContact CG1-CD1 3.67Å; V34-F54 HydrophobicContact CG1-CE1 3.97Å; V34-F54 HydrophobicContact CG1-CG 4.31Å; V34-F54 HydrophobicContact CG2-CD1 4.12Å; V34-F54 HydrophobicContact CG2-CE1 4.06Å; V36-F54 HydrophobicContact CG2-CE1 4.1Å; V36-F54 HydrophobicContact CG2-CZ 4.01Å; V52-F54 HydrophobicContact CB-CE2 3.99Å; V52-F54 HydrophobicContact CB-CZ 4.34Å; V52-F54 HydrophobicContact CG1-CD2 4.01Å; V52-F54 HydrophobicContact CG1-CE1 4.07Å; V52-F54 HydrophobicContact CG1-CE2 3.42Å; V52-F54 VanDerWaalsContact CG1-CE2 3.42Å; V52-F54 HydrophobicContact CG1-CZ 3.45Å; V52-F54 VanDerWaalsContact CG1-CZ 3.45Å; F54-L56 HydrophobicContact CB-CD2 4.32Å; F54-R65 HydrophobicContact CB-CB 4.33Å; F54-R65 PolarHBondContact N-O 3.43Å; F54-R65 PolarHBondContact O-N 2.82Å; F54-V67 HydrophobicContact CD2-CG2 4.2Å; F54-V67 HydrophobicContact CE2-CG2 4.03Å; F54-F72 WeakPolarHBondContact CZ-O 3.12Å; F54-V74 HydrophobicContact CB-CG2 4.29Å; F54-V74 HydrophobicContact CD2-CG2 3.62Å; F54-V74 HydrophobicContact CE2-CG2 4.14Å; F54-V74 HydrophobicContact CG-CG2 4.05Å; F54-I84 HydrophobicContact CB-CG2 4.46Å; F54-I86 HydrophobicContact CD1-CD1 3.78Å; F54-I86 HydrophobicContact CD1-CG1 3.73Å; F54-I86 HydrophobicContact CD1-CG2 4.34Å; F54-I86 HydrophobicContact CE1-CD1 3.86Å; F54-I86 HydrophobicContact CE1-CG1 4.19Å; F54-I86 HydrophobicContact CE1-CG2 4.28Å |
| 55 | Q | 98.7 | Very high | 95.5 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 102.6 | 170.8 | -175.4 | 57.4 | 58.9 | 0 | 0 | 108.4 | S63 P85 | Q55-S63 PolarHBondContact NE2-OG 3.39Å; Q55-S63 VanDerWaalsContact NE2-OG 3.14Å; Q55-P85 HydrophobicContact CB-CB 4.06Å; Q55-P85 HydrophobicContact CB-CG 4.27Å; Q55-P85 WeakPolarHBondContact CB-O 3.37Å; Q55-P85 PolarHBondContact N-O 2.88Å; Q55-P85 WeakPolarHBondContact O-CD 3.29Å |
| 56 | L | 98.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | trans | -77.5 | 168.2 | 175.7 | -51.8 | -173.7 | 0 | 0 | 0 | 110.8 | W32 F54 F60 S63 R65 V74 E76 F82 I84 | W32-L56 HydrophobicContact CH2-CD1 4.15Å; W32-L56 HydrophobicContact CH2-CD2 3.93Å; W32-L56 HydrophobicContact CZ3-CD2 4.46Å; F54-L56 HydrophobicContact CB-CD2 4.32Å; L56-F60 HydrophobicContact CB-CB 4.13Å; L56-F60 HydrophobicContact CB-CD2 3.96Å; L56-F60 HydrophobicContact CB-CG 4.19Å; L56-F60 HydrophobicContact CD1-CB 4.13Å; L56-F60 HydrophobicContact CD1-CD1 4.45Å; L56-F60 HydrophobicContact CD1-CG 4.13Å; L56-S63 WeakPolarHBondContact CB-O 3.13Å; L56-S63 WeakPolarHBondContact CG-O 3.31Å; L56-S63 PolarHBondContact N-O 2.84Å; L56-R65 HydrophobicContact CD1-CG 3.98Å; L56-R65 HydrophobicContact CG-CG 4.15Å; L56-V74 HydrophobicContact CD1-CG1 4.19Å; L56-E76 HydrophobicContact CD1-CG 4.19Å; L56-F82 HydrophobicContact CB-CE2 4.41Å; L56-I84 HydrophobicContact CD2-CG2 4.41Å | ||
| 57 | H | 96.6 | Very high | 96.3 | Very high | 78 Ų | 78 | 59.5 Ų | 59.5 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | trans | -55.6 | 153.8 | 169.9 | -163.6 | -102.9 | 0 | 0 | 0 | 111.2 | D59 F60 S63 F82 | H57-D59 IonicContact CE1-OD1 3.84Å; H57-D59 IonicContact CE1-OD2 3.27Å; H57-D59 PolarHBondContact CE1-OD2 3.27Å; H57-D59 IonicContact ND1-OD1 3.78Å; H57-D59 IonicContact ND1-OD2 2.72Å; H57-D59 PolarHBondContact ND1-OD2 2.93Å; H57-D59 PolarHBondContact O-N 3.24Å; H57-F60 HydrophobicContact CB-CD2 3.84Å; H57-F60 HydrophobicContact CB-CE2 3.91Å; H57-F60 WeakPolarHBondContact O-CD2 3.48Å; H57-F60 PolarHBondContact O-N 3.23Å; H57-F60 VanDerWaalsContact O-N 3.16Å; H57-S63 VanDerWaalsContact O-CB 3.29Å; H57-S63 WeakPolarHBondContact O-CB 3.39Å; H57-F82 HydrophobicContact CB-CD2 3.88Å; H57-F82 HydrophobicContact CB-CE2 4.07Å; H57-F82 HydrophobicContact CB-CG 4.16Å | ||
| 58 | E | 94.9 | Very high | 96.7 | Very high | 161 Ų | 161 | 58.8 Ų | 58.8 | 75% | 0.752 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.8 | -174.5 | 60.9 | -176.7 | -172.2 | 0 | 0 | 114.2 | F60 | E58-F60 PolarHBondContact O-N 2.77Š|
| 59 | D | 93.4 | Very high | 97 | Very high | 86 Ų | 86 | 61.8 Ų | 61.8 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.5 | 174.6 | -58.4 | -27.9 | 0 | 0 | 0 | 112.6 | H57 | H57-D59 IonicContact CE1-OD1 3.84Å; H57-D59 IonicContact CE1-OD2 3.27Å; H57-D59 PolarHBondContact CE1-OD2 3.27Å; H57-D59 IonicContact ND1-OD1 3.78Å; H57-D59 IonicContact ND1-OD2 2.72Å; H57-D59 PolarHBondContact ND1-OD2 2.93Å; H57-D59 PolarHBondContact O-N 3.24Å |
| 60 | F | 95.3 | Very high | 97 | Very high | 26 Ų | 26 | 64.4 Ų | 64.4 | 11% | 0.114 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -81.7 | 125.4 | 178.6 | -64.7 | -84.7 | 0 | 0 | 0 | 111.1 | W32 L56 H57 E58 C62 S63 E76 T77 F82 | W32-F60 AromaticContact CZ2-CE1 3.77Å; W32-F60 HydrophobicContact CZ2-CE1 3.77Å; W32-F60 HydrophobicContact CZ2-CE2 4.32Å; W32-F60 AromaticContact CZ2-CZ 3.63Å; W32-F60 HydrophobicContact CZ2-CZ 3.63Å; L56-F60 HydrophobicContact CB-CB 4.13Å; L56-F60 HydrophobicContact CB-CD2 3.96Å; L56-F60 HydrophobicContact CB-CG 4.19Å; L56-F60 HydrophobicContact CD1-CB 4.13Å; L56-F60 HydrophobicContact CD1-CD1 4.45Å; L56-F60 HydrophobicContact CD1-CG 4.13Å; H57-F60 HydrophobicContact CB-CD2 3.84Å; H57-F60 HydrophobicContact CB-CE2 3.91Å; H57-F60 WeakPolarHBondContact O-CD2 3.48Å; H57-F60 PolarHBondContact O-N 3.23Å; H57-F60 VanDerWaalsContact O-N 3.16Å; E58-F60 PolarHBondContact O-N 2.77Å; F60-C62 PolarHBondContact O-N 2.82Å; F60-S63 WeakPolarHBondContact O-CA 3.43Å; F60-S63 WeakPolarHBondContact O-CB 3.28Å; F60-S63 PolarHBondContact O-N 2.84Å; F60-S63 VanDerWaalsContact O-N 3.09Å; F60-E76 HydrophobicContact CD1-CB 4.47Å; F60-E76 HydrophobicContact CD1-CG 4.02Å; F60-E76 HydrophobicContact CE1-CB 4.11Å; F60-E76 HydrophobicContact CE1-CG 4.17Å; F60-T77 WeakPolarHBondContact CE1-O 3.43Å; F60-F82 HydrophobicContact CD2-CZ 4.46Å; F60-F82 AromaticContact CE2-CE1 3.82Å; F60-F82 HydrophobicContact CE2-CE1 3.82Å; F60-F82 AromaticContact CE2-CZ 3.77Å; F60-F82 HydrophobicContact CE2-CZ 3.77Å; F60-F82 HydrophobicContact CZ-CE1 4.18Å; F60-F82 HydrophobicContact CZ-CZ 4.34Å |
| 61 | K | 93.8 | Very high | 97.1 | Very high | 185 Ų | 185 | 65.3 Ų | 65.3 | 80% | 0.804 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 135.5 | 169 | -70.9 | -176.1 | -178.9 | 176.9 | 0 | 110.2 | S63 R65 | K61-S63 VanDerWaalsContact C-N 3.3Å; K61-S63 PolarHBondContact O-N 2.81Å; K61-R65 PolarHBondContact O-NH2 2.82Å |
| 62 | C | 94.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 63.7 Ų | 63.7 | 74% | 0.736 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 50.8 | -174.6 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | F60 R64 R65 | F60-C62 PolarHBondContact O-N 2.82Å; C62-R64 CarbonylContact O-C 3.57Å; C62-R64 PolarHBondContact O-N 2.85Å; C62-R65 VanDerWaalsContact O-CD 3.31Å; C62-R65 WeakPolarHBondContact O-CD 3.49Å; C62-R65 PolarHBondContact O-NE 3.16Å |
| 63 | S | 97.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 66.4 Ų | 66.4 | 21% | 0.21 | 35% | 0.352 | C | S | . | . | trans | -53.2 | -28.7 | -173.5 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | Q55 L56 H57 F60 K61 R65 | Q55-S63 PolarHBondContact NE2-OG 3.39Å; Q55-S63 VanDerWaalsContact NE2-OG 3.14Å; L56-S63 WeakPolarHBondContact CB-O 3.13Å; L56-S63 WeakPolarHBondContact CG-O 3.31Å; L56-S63 PolarHBondContact N-O 2.84Å; H57-S63 VanDerWaalsContact O-CB 3.29Å; H57-S63 WeakPolarHBondContact O-CB 3.39Å; F60-S63 WeakPolarHBondContact O-CA 3.43Å; F60-S63 WeakPolarHBondContact O-CB 3.28Å; F60-S63 PolarHBondContact O-N 2.84Å; F60-S63 VanDerWaalsContact O-N 3.09Å; K61-S63 VanDerWaalsContact C-N 3.3Å; K61-S63 PolarHBondContact O-N 2.81Å; S63-R65 PolarHBondContact O-N 3.11Å | ||
| 64 | R | 98.6 | Very high | 97.2 | Very high | 143 Ų | 143 | 66.4 Ų | 66.4 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 103.6 | 172.5 | -170.5 | 173.9 | 175.2 | -79.9 | -0.8 | 111.7 | V53 C62 | V53-R64 HydrophobicContact CG1-CG 3.92Å; C62-R64 CarbonylContact O-C 3.57Å; C62-R64 PolarHBondContact O-N 2.85Å |
| 65 | R | 98.5 | Very high | 97.1 | Very high | 51 Ų | 51 | 69.6 Ų | 69.6 | 19% | 0.192 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.1 | -179 | -54.2 | -69.4 | 173.9 | 90.9 | -2.8 | 110.5 | V53 F54 L56 K61 C62 S63 V74 E76 | V53-R65 CarbonylContact C-O 3.56Å; V53-R65 VanDerWaalsContact CA-O 3.29Å; V53-R65 WeakPolarHBondContact CA-O 3.42Å; F54-R65 HydrophobicContact CB-CB 4.33Å; F54-R65 PolarHBondContact N-O 3.43Å; F54-R65 PolarHBondContact O-N 2.82Å; L56-R65 HydrophobicContact CD1-CG 3.98Å; L56-R65 HydrophobicContact CG-CG 4.15Å; K61-R65 PolarHBondContact O-NH2 2.82Å; C62-R65 VanDerWaalsContact O-CD 3.31Å; C62-R65 WeakPolarHBondContact O-CD 3.49Å; C62-R65 PolarHBondContact O-NE 3.16Å; S63-R65 PolarHBondContact O-N 3.11Å; R65-V74 HydrophobicContact CB-CG2 3.72Å; R65-V74 HydrophobicContact CG-CG1 4.12Å; R65-V74 HydrophobicContact CG-CG2 4.06Å; R65-E76 IonicContact CZ-OE1 3.62Å; R65-E76 VanDerWaalsContact CZ-OE1 3.27Å; R65-E76 IonicContact NH1-OE1 3.37Å; R65-E76 PolarHBondContact NH1-OE1 3.14Å; R65-E76 IonicContact NH2-OE1 2.73Å; R65-E76 PolarHBondContact NH2-OE1 3.09Å |
| 66 | V | 98.5 | Very high | 97.1 | Very high | 64 Ų | 64 | 68.8 Ų | 68.8 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.7 | 177 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | K51 V53 T68 | K51-V66 HydrophobicContact CB-CG1 4.38Å; K51-V66 HydrophobicContact CD-CG1 4.46Å; V53-V66 HydrophobicContact CG1-CG2 4.2Å; V53-V66 HydrophobicContact CG2-CG1 4.34Å; V53-V66 HydrophobicContact CG2-CG2 4.17Å; V66-T68 HydrophobicContact CG1-CG2 4.15Å |
| 67 | V | 98.5 | Very high | 97.1 | Very high | 26 Ų | 26 | 70.2 Ų | 70.2 | 16% | 0.158 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.2 | 178.7 | -172.3 | 0 | 0 | 0 | 0 | 109 | K51 V52 F54 S69 F72 V74 | K51-V67 CarbonylContact C-O 3.54Å; K51-V67 VanDerWaalsContact CA-O 3.23Å; K51-V67 WeakPolarHBondContact CA-O 3.42Å; V52-V67 PolarHBondContact N-O 2.83Å; V52-V67 PolarHBondContact O-N 2.9Å; F54-V67 HydrophobicContact CD2-CG2 4.2Å; F54-V67 HydrophobicContact CE2-CG2 4.03Å; V67-S69 VanDerWaalsContact CG1-O 3.26Å; V67-S69 WeakPolarHBondContact CG1-O 3.26Å; V67-F72 HydrophobicContact CB-CD1 4.13Å; V67-F72 HydrophobicContact CG1-CD1 3.81Å; V67-F72 HydrophobicContact CG1-CE1 4.46Å; V67-F72 WeakPolarHBondContact O-CE1 3.15Å; V67-V74 HydrophobicContact CG2-CG2 4.26Å |
| 68 | T | 97.6 | Very high | 97.2 | Very high | 87 Ų | 87 | 66.6 Ų | 66.6 | 53% | 0.534 | 36% | 0.361 | S | S | . | . | trans | -103.8 | -1.1 | -173.6 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | K51 V66 | K51-T68 HydrophobicContact CB-CG2 4.23Å; V66-T68 HydrophobicContact CG1-CG2 4.15Å | ||
| 69 | S | 96.7 | Very high | 97.3 | Very high | 67 Ų | 67 | 62 Ų | 62 | 47% | 0.469 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -151.7 | 149.5 | 178 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | V67 | V67-S69 VanDerWaalsContact CG1-O 3.26Å; V67-S69 WeakPolarHBondContact CG1-O 3.26Å |
| 70 | A | 96.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 60.5 Ų | 60.5 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -60.8 | 150.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L44 F72 | L44-A70 WeakPolarHBondContact O-CB 3.38Å; A70-F72 HydrophobicContact CB-CD2 4.16Å; A70-F72 HydrophobicContact CB-CE2 4.08Å |
| 71 | P | 97.3 | Very high | 97.5 | Very high | 84 Ų | 84 | 61 Ų | 61 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | S | Bend | cis | -71.2 | 134.2 | -2.3 | 31.3 | -35.5 | 0 | 0 | 0 | 112.1 | E73 | P71-E73 VanDerWaalsContact C-N 3.28Å; P71-E73 HydrophobicContact CB-CG 3.91Å; P71-E73 HydrophobicContact CG-CG 4.12Å; P71-E73 PolarHBondContact O-N 3.19Å |
| 72 | F | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 2% | 0.022 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 76.6 | 178.8 | -65.8 | -73.2 | 0 | 0 | 0 | 109.7 | F35 V36 L44 V49 V52 F54 V67 A70 | F35-F72 WeakPolarHBondContact CA-O 3.46Å; V36-F72 HydrophobicContact CB-CB 4.31Å; V36-F72 PolarHBondContact N-O 2.8Å; L44-F72 HydrophobicContact CB-CD2 4.12Å; L44-F72 HydrophobicContact CB-CE2 3.9Å; L44-F72 HydrophobicContact CD1-CD2 4.49Å; L44-F72 VanDerWaalsContact O-CE2 3.24Å; L44-F72 WeakPolarHBondContact O-CE2 3.36Å; V49-F72 HydrophobicContact CB-CE1 4.38Å; V49-F72 HydrophobicContact CB-CE2 3.6Å; V49-F72 HydrophobicContact CB-CZ 3.53Å; V49-F72 HydrophobicContact CG1-CD1 4.4Å; V49-F72 HydrophobicContact CG1-CD2 4.33Å; V49-F72 HydrophobicContact CG1-CE1 3.82Å; V49-F72 HydrophobicContact CG1-CE2 3.74Å; V49-F72 HydrophobicContact CG1-CZ 3.47Å; V49-F72 VanDerWaalsContact CG1-CZ 3.47Å; V49-F72 HydrophobicContact CG2-CE2 4.15Å; V52-F72 HydrophobicContact CB-CB 4.26Å; V52-F72 HydrophobicContact CB-CD1 3.94Å; V52-F72 HydrophobicContact CB-CG 4.37Å; V52-F72 HydrophobicContact CG2-CB 3.84Å; V52-F72 HydrophobicContact CG2-CD1 3.55Å; V52-F72 HydrophobicContact CG2-CD2 4.45Å; V52-F72 HydrophobicContact CG2-CE1 4.2Å; V52-F72 HydrophobicContact CG2-CG 3.7Å; F54-F72 WeakPolarHBondContact CZ-O 3.12Å; V67-F72 HydrophobicContact CB-CD1 4.13Å; V67-F72 HydrophobicContact CG1-CD1 3.81Å; V67-F72 HydrophobicContact CG1-CE1 4.46Å; V67-F72 WeakPolarHBondContact O-CE1 3.15Å; A70-F72 HydrophobicContact CB-CD2 4.16Å; A70-F72 HydrophobicContact CB-CE2 4.08Å |
| 73 | E | 98.7 | Very high | 97.8 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 160 | -176 | 64.9 | -168.8 | -155.2 | 0 | 0 | 112 | T33 V34 F35 R37 P71 | T33-E73 HydrophobicContact CG2-CB 3.79Å; T33-E73 HydrophobicContact CG2-CG 4.08Å; V34-E73 CarbonylContact O-C 3.55Å; V34-E73 WeakPolarHBondContact O-CA 3.49Å; V34-E73 VanDerWaalsContact O-CB 3.26Å; V34-E73 WeakPolarHBondContact O-CB 3.26Å; F35-E73 HydrophobicContact CB-CB 3.82Å; R37-E73 IonicContact CZ-OE2 2.98Å; R37-E73 IonicContact NE-OE2 3.61Å; R37-E73 PolarHBondContact NE-OE2 3.3Å; R37-E73 IonicContact NH2-OE2 2.95Å; R37-E73 PolarHBondContact NH2-OE2 3.38Å; P71-E73 VanDerWaalsContact C-N 3.28Å; P71-E73 HydrophobicContact CB-CG 3.91Å; P71-E73 HydrophobicContact CG-CG 4.12Å; P71-E73 PolarHBondContact O-N 3.19Å |
| 74 | V | 98.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 129.5 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 108 | T33 V34 F54 L56 R65 V67 E76 | T33-V74 CarbonylContact C-O 3.59Å; T33-V74 VanDerWaalsContact CA-O 3.25Å; T33-V74 WeakPolarHBondContact CA-O 3.44Å; V34-V74 HydrophobicContact CG1-CB 4.02Å; V34-V74 PolarHBondContact N-O 3.09Å; V34-V74 PolarHBondContact O-N 2.67Å; F54-V74 HydrophobicContact CB-CG2 4.29Å; F54-V74 HydrophobicContact CD2-CG2 3.62Å; F54-V74 HydrophobicContact CE2-CG2 4.14Å; F54-V74 HydrophobicContact CG-CG2 4.05Å; L56-V74 HydrophobicContact CD1-CG1 4.19Å; R65-V74 HydrophobicContact CB-CG2 3.72Å; R65-V74 HydrophobicContact CG-CG1 4.12Å; R65-V74 HydrophobicContact CG-CG2 4.06Å; V67-V74 HydrophobicContact CG2-CG2 4.26Å; V74-E76 HydrophobicContact CG1-CG 4.43Å |
| 75 | T | 98.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.5 | 175.5 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | R31 W32 T33 | R31-T75 HydrophobicContact CG-CG2 4.08Å; W32-T75 CarbonylContact O-C 3.51Å; W32-T75 VanDerWaalsContact O-CA 3.29Å; W32-T75 WeakPolarHBondContact O-CA 3.44Å; W32-T75 WeakPolarHBondContact O-CG2 3.1Å; T33-T75 PolarHBondContact OG1-OG1 3.04Å |
| 76 | E | 98.3 | Very high | 97.9 | Very high | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 178.4 | 179 | -85.6 | -61 | 170 | 0 | 0 | 110.6 | R31 W32 L56 F60 R65 V74 | R31-E76 WeakPolarHBondContact CA-O 3.38Å; W32-E76 HydrophobicContact CD2-CB 4.13Å; W32-E76 HydrophobicContact CE3-CB 4.4Å; W32-E76 HydrophobicContact CH2-CB 3.6Å; W32-E76 HydrophobicContact CH2-CG 4Å; W32-E76 HydrophobicContact CZ2-CB 3.26Å; W32-E76 HydrophobicContact CZ2-CG 4Å; W32-E76 HydrophobicContact CZ3-CB 4.15Å; W32-E76 PolarHBondContact N-O 2.95Å; W32-E76 PolarHBondContact O-N 3.32Å; L56-E76 HydrophobicContact CD1-CG 4.19Å; F60-E76 HydrophobicContact CD1-CB 4.47Å; F60-E76 HydrophobicContact CD1-CG 4.02Å; F60-E76 HydrophobicContact CE1-CB 4.11Å; F60-E76 HydrophobicContact CE1-CG 4.17Å; R65-E76 IonicContact CZ-OE1 3.62Å; R65-E76 VanDerWaalsContact CZ-OE1 3.27Å; R65-E76 IonicContact NH1-OE1 3.37Å; R65-E76 PolarHBondContact NH1-OE1 3.14Å; R65-E76 IonicContact NH2-OE1 2.73Å; R65-E76 PolarHBondContact NH2-OE1 3.09Å; V74-E76 HydrophobicContact CG1-CG 4.43Å |
| 77 | T | 98.3 | Very high | 97.9 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 154.3 | 165.1 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | I21 H28 H30 R31 W32 F60 | I21-T77 HydrophobicContact CD1-CG2 4.02Å; H28-T77 PolarHBondContact CE1-O 2.85Å; H28-T77 VanDerWaalsContact CE1-O 3.29Å; H28-T77 VanDerWaalsContact ND1-C 3.26Å; H28-T77 WeakPolarHBondContact ND1-CB 3.11Å; H28-T77 PolarHBondContact ND1-O 2.92Å; H28-T77 PolarHBondContact ND1-OG1 3.07Å; H30-T77 CarbonylContact O-C 3.6Å; H30-T77 WeakPolarHBondContact O-CA 3.41Å; H30-T77 WeakPolarHBondContact O-CB 3.4Å; R31-T77 HydrophobicContact CB-CG2 4.24Å; R31-T77 HydrophobicContact CG-CG2 4.44Å; W32-T77 VanDerWaalsContact NE1-C 3.32Å; W32-T77 PolarHBondContact NE1-O 2.91Å; F60-T77 WeakPolarHBondContact CE1-O 3.43Å |
| 78 | G | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -169.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T29 H30 | T29-G78 PolarHBondContact N-O 3.35Å; H30-G78 PolarHBondContact N-O 2.87Å; H30-G78 PolarHBondContact O-N 2.75Å |
| 79 | Y | 97.2 | Very high | 97.8 | Very high | 64 Ų | 64 | 39.7 Ų | 39.7 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | trans | -139.4 | 165.1 | 177.9 | 65.9 | -87.1 | 0 | 0 | 0 | 110.4 | P25 Y26 G81 | P25-Y79 WeakPolarHBondContact CD-OH 3.48Å; P25-Y79 VanDerWaalsContact CG-OH 3.27Å; P25-Y79 WeakPolarHBondContact CG-OH 3.36Å; Y26-Y79 HydrophobicContact CD2-CD2 4.2Å; Y26-Y79 HydrophobicContact CD2-CE1 4.21Å; Y26-Y79 AromaticContact CD2-CE2 3.44Å; Y26-Y79 HydrophobicContact CD2-CE2 3.44Å; Y26-Y79 VanDerWaalsContact CD2-CE2 3.44Å; Y26-Y79 AromaticContact CD2-CZ 3.47Å; Y26-Y79 VanDerWaalsContact CD2-CZ 3.47Å; Y26-Y79 HydrophobicContact CE2-CE2 4.25Å; Y26-Y79 HydrophobicContact CG-CD2 4.46Å; Y26-Y79 HydrophobicContact CG-CE2 4.11Å; Y79-G81 PolarHBondContact O-N 2.8Å | ||
| 80 | A | 96.2 | Very high | 97.6 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 51.4 | -131.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L105 | A80-L105 WeakPolarHBondContact O-CA 3.49Å; A80-L105 WeakPolarHBondContact O-CB 3.33Å; A80-L105 WeakPolarHBondContact O-CG 3.36Å; A80-L105 PolarHBondContact O-N 2.72Å |
| 81 | G | 95.9 | Very high | 97.3 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 161 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y79 M103 | Y79-G81 PolarHBondContact O-N 2.8Å; G81-M103 CarbonylContact C-O 3.57Å; G81-M103 VanDerWaalsContact C-O 3.31Å; G81-M103 WeakPolarHBondContact CA-O 3.46Å |
| 82 | F | 97.9 | Very high | 96.7 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 13% | 0.127 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 156 | 176 | 62.3 | -82.3 | 0 | 0 | 0 | 110.8 | W32 L56 H57 F60 I84 M103 | W32-F82 HydrophobicContact CH2-CZ 4.01Å; W32-F82 HydrophobicContact CZ2-CE1 4.15Å; W32-F82 AromaticContact CZ2-CZ 3.97Å; W32-F82 HydrophobicContact CZ2-CZ 3.97Å; L56-F82 HydrophobicContact CB-CE2 4.41Å; H57-F82 HydrophobicContact CB-CD2 3.88Å; H57-F82 HydrophobicContact CB-CE2 4.07Å; H57-F82 HydrophobicContact CB-CG 4.16Å; F60-F82 HydrophobicContact CD2-CZ 4.46Å; F60-F82 AromaticContact CE2-CE1 3.82Å; F60-F82 HydrophobicContact CE2-CE1 3.82Å; F60-F82 AromaticContact CE2-CZ 3.77Å; F60-F82 HydrophobicContact CE2-CZ 3.77Å; F60-F82 HydrophobicContact CZ-CE1 4.18Å; F60-F82 HydrophobicContact CZ-CZ 4.34Å; F82-I84 HydrophobicContact CD2-CG1 3.83Å; F82-I84 HydrophobicContact CE2-CD1 3.89Å; F82-I84 HydrophobicContact CE2-CG1 3.51Å; F82-I84 HydrophobicContact CZ-CD1 4.06Å; F82-I84 HydrophobicContact CZ-CG1 4.18Å; F82-M103 HydrophobicContact CD1-CE 3.9Å; F82-M103 HydrophobicContact CE1-CE 3.21Å; F82-M103 HydrophobicContact CZ-CE 3.65Å; F82-M103 PolarHBondContact N-O 3.03Å; F82-M103 PolarHBondContact O-N 2.79Å |
| 83 | A | 98.3 | Very high | 96 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 134.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P85 E100 Y101 | A83-P85 WeakPolarHBondContact O-CD 3.25Å; A83-E100 HydrophobicContact CB-CG 4.42Å; A83-Y101 CarbonylContact C-O 3.6Å |
| 84 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 104.4 | 180 | -50.6 | -175.7 | 0 | 0 | 0 | 108 | V34 F54 L56 F82 I86 Y101 M103 | V34-I84 HydrophobicContact CB-CD1 4.1Å; V34-I84 HydrophobicContact CG1-CD1 4.33Å; V34-I84 HydrophobicContact CG2-CD1 3.9Å; F54-I84 HydrophobicContact CB-CG2 4.46Å; L56-I84 HydrophobicContact CD2-CG2 4.41Å; F82-I84 HydrophobicContact CD2-CG1 3.83Å; F82-I84 HydrophobicContact CE2-CD1 3.89Å; F82-I84 HydrophobicContact CE2-CG1 3.51Å; F82-I84 HydrophobicContact CZ-CD1 4.06Å; F82-I84 HydrophobicContact CZ-CG1 4.18Å; I84-I86 HydrophobicContact CB-CG1 4.42Å; I84-I86 HydrophobicContact CG2-CD1 4.21Å; I84-I86 HydrophobicContact CG2-CG1 3.79Å; I84-I86 PolarHBondContact O-N 3.01Å; I84-Y101 PolarHBondContact N-O 3.42Å; I84-Y101 PolarHBondContact O-N 2.88Å; I84-M103 HydrophobicContact CD1-CB 3.89Å; I84-M103 HydrophobicContact CD1-CE 4.09Å; I84-M103 HydrophobicContact CD1-SD 3.99Å; I84-M103 HydrophobicContact CG1-CB 4.34Å |
| 85 | P | 98.7 | Very high | 94.8 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 122.9 | 165.4 | -20.6 | 31.9 | 0 | 0 | 0 | 110.2 | Q55 A83 | Q55-P85 HydrophobicContact CB-CB 4.06Å; Q55-P85 HydrophobicContact CB-CG 4.27Å; Q55-P85 WeakPolarHBondContact CB-O 3.37Å; Q55-P85 PolarHBondContact N-O 2.88Å; Q55-P85 WeakPolarHBondContact O-CD 3.29Å; A83-P85 WeakPolarHBondContact O-CD 3.25Å |
| 86 | I | 98.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.4 | -179 | -61 | 172.2 | 0 | 0 | 0 | 109.1 | V10 V34 V36 V52 V53 F54 I84 I88 N98 V99 Y101 | V10-I86 HydrophobicContact CG1-CD1 3.54Å; V34-I86 HydrophobicContact CG2-CD1 4.17Å; V36-I86 HydrophobicContact CG2-CG2 4.04Å; V52-I86 HydrophobicContact CG1-CG2 3.71Å; V53-I86 CarbonylContact O-C 3.51Å; V53-I86 VanDerWaalsContact O-CA 3.28Å; V53-I86 WeakPolarHBondContact O-CA 3.28Å; F54-I86 HydrophobicContact CD1-CD1 3.78Å; F54-I86 HydrophobicContact CD1-CG1 3.73Å; F54-I86 HydrophobicContact CD1-CG2 4.34Å; F54-I86 HydrophobicContact CE1-CD1 3.86Å; F54-I86 HydrophobicContact CE1-CG1 4.19Å; F54-I86 HydrophobicContact CE1-CG2 4.28Å; I84-I86 HydrophobicContact CB-CG1 4.42Å; I84-I86 HydrophobicContact CG2-CD1 4.21Å; I84-I86 HydrophobicContact CG2-CG1 3.79Å; I84-I86 PolarHBondContact O-N 3.01Å; I86-I88 HydrophobicContact CG2-CG1 4.09Å; I86-N98 CarbonylContact O-C 3.49Å; I86-N98 WeakPolarHBondContact O-CA 3.5Å; I86-V99 HydrophobicContact CB-CB 4.34Å; I86-V99 PolarHBondContact N-O 2.77Å; I86-V99 PolarHBondContact O-N 2.86Å; I86-Y101 HydrophobicContact CD1-CG 4.49Å |
| 87 | V | 98.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.1 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | V52 V53 E96 Y97 N98 | V52-V87 CarbonylContact C-O 3.55Å; V52-V87 WeakPolarHBondContact CA-O 3.47Å; V53-V87 HydrophobicContact CB-CB 4.15Å; V53-V87 PolarHBondContact N-O 3.16Å; V53-V87 PolarHBondContact O-N 3.19Å; V87-E96 HydrophobicContact CG1-CB 3.77Å; V87-E96 HydrophobicContact CG1-CG 4.14Å; V87-Y97 WeakPolarHBondContact CA-O 3.49Å; V87-N98 WeakPolarHBondContact CG2-OD1 3.12Å |
| 88 | I | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.7 | 177.4 | -55.7 | 168.9 | 0 | 0 | 0 | 108.7 | L8 V36 V49 V52 I86 F90 Y97 V99 F119 | L8-I88 HydrophobicContact CD1-CD1 4.22Å; V36-I88 HydrophobicContact CG1-CD1 3.89Å; V36-I88 HydrophobicContact CG2-CD1 4.18Å; V36-I88 HydrophobicContact CG2-CG1 4.45Å; V49-I88 HydrophobicContact CG1-CG2 4.48Å; V52-I88 HydrophobicContact CG1-CG1 4.36Å; V52-I88 HydrophobicContact CG2-CG1 4.38Å; V52-I88 HydrophobicContact CG2-CG2 4.49Å; I86-I88 HydrophobicContact CG2-CG1 4.09Å; I88-F90 HydrophobicContact CG2-CD2 4.48Å; I88-F90 HydrophobicContact CG2-CE1 4.28Å; I88-F90 HydrophobicContact CG2-CE2 3.93Å; I88-F90 HydrophobicContact CG2-CZ 3.82Å; I88-Y97 PolarHBondContact N-O 2.94Å; I88-Y97 PolarHBondContact O-N 2.81Å; I88-V99 HydrophobicContact CD1-CG2 4.44Å; I88-F119 HydrophobicContact CD1-CE1 4.27Å; I88-F119 HydrophobicContact CD1-CZ 3.76Å |
| 89 | R | 95.8 | Very high | 94.5 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.7 | 174.8 | -171.4 | 176.1 | -177.6 | -165.1 | 6.3 | 110.2 | E50 K51 E96 | E50-R89 HydrophobicContact CB-CB 4.47Å; E50-R89 HydrophobicContact CB-CG 4.32Å; E50-R89 WeakPolarHBondContact CB-O 3.38Å; E50-R89 PolarHBondContact N-O 2.88Å; E50-R89 WeakPolarHBondContact OE1-CD 3.27Å; E50-R89 IonicContact OE1-CZ 3.91Å; E50-R89 VanDerWaalsContact OE1-CZ 3.25Å; E50-R89 IonicContact OE1-NE 2.9Å; E50-R89 IonicContact OE1-NH1 3.43Å; E50-R89 PolarHBondContact OE1-NH1 3.14Å; E50-R89 VanDerWaalsContact OE2-CD 3.29Å; E50-R89 WeakPolarHBondContact OE2-CD 2.91Å; E50-R89 IonicContact OE2-CZ 2.9Å; E50-R89 IonicContact OE2-NE 2.66Å; E50-R89 PolarHBondContact OE2-NE 3.26Å; E50-R89 IonicContact OE2-NH1 2.76Å; E50-R89 PolarHBondContact OE2-NH1 2.8Å; E50-R89 IonicContact OE2-NH2 3.25Å; K51-R89 HydrophobicContact CG-CB 3.91Å; K51-R89 PolarHBondContact N-O 2.9Å; K51-R89 PolarHBondContact O-N 2.92Å; R89-E96 HydrophobicContact CG-CG 4.44Å |
| 90 | F | 93.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 145.9 | 174.4 | -62.4 | -80.3 | 0 | 0 | 0 | 111.2 | L6 L8 L48 V49 I88 H92 C93 Y97 F119 F121 | L6-F90 HydrophobicContact CD2-CD1 4.4Å; L6-F90 HydrophobicContact CD2-CE1 3.51Å; L6-F90 HydrophobicContact CD2-CZ 4Å; L8-F90 HydrophobicContact CD1-CE1 4.27Å; L8-F90 HydrophobicContact CD1-CZ 3.91Å; L48-F90 HydrophobicContact CD1-CD1 4.3Å; L48-F90 HydrophobicContact CG-CD1 4.46Å; L48-F90 WeakPolarHBondContact O-CA 3.14Å; L48-F90 WeakPolarHBondContact O-CD1 3.4Å; V49-F90 HydrophobicContact CG2-CD1 4.08Å; V49-F90 HydrophobicContact CG2-CE1 3.98Å; I88-F90 HydrophobicContact CG2-CD2 4.48Å; I88-F90 HydrophobicContact CG2-CE1 4.28Å; I88-F90 HydrophobicContact CG2-CE2 3.93Å; I88-F90 HydrophobicContact CG2-CZ 3.82Å; F90-H92 PolarHBondContact O-N 2.67Å; F90-C93 HydrophobicContact CB-CB 3.95Å; F90-C93 WeakPolarHBondContact O-CB 3.04Å; F90-C93 PolarHBondContact O-N 3.34Å; F90-Y97 AromaticContact CD2-CD2 3.7Å; F90-Y97 HydrophobicContact CD2-CD2 3.7Å; F90-Y97 AromaticContact CD2-CE2 3.53Å; F90-Y97 HydrophobicContact CD2-CE2 3.53Å; F90-Y97 AromaticContact CE2-CD2 3.69Å; F90-Y97 HydrophobicContact CE2-CD2 3.69Å; F90-Y97 AromaticContact CE2-CE2 3.78Å; F90-Y97 HydrophobicContact CE2-CE2 3.78Å; F90-Y97 HydrophobicContact CE2-CG 4.36Å; F90-F119 HydrophobicContact CE2-CB 4.2Å; F90-F119 AromaticContact CE2-CD1 3.65Å; F90-F119 HydrophobicContact CE2-CD1 3.65Å; F90-F119 HydrophobicContact CE2-CE1 4.25Å; F90-F119 AromaticContact CE2-CG 3.96Å; F90-F119 HydrophobicContact CE2-CG 3.96Å; F90-F119 HydrophobicContact CZ-CB 4.21Å; F90-F119 AromaticContact CZ-CD1 3.98Å; F90-F119 HydrophobicContact CZ-CD1 3.98Å; F90-F119 HydrophobicContact CZ-CD2 4.33Å; F90-F119 HydrophobicContact CZ-CE1 4.48Å; F90-F119 AromaticContact CZ-CG 3.91Å; F90-F119 HydrophobicContact CZ-CG 3.91Å; F90-F121 HydrophobicContact CB-CE1 4.13Å; F90-F121 HydrophobicContact CB-CZ 4.36Å; F90-F121 HydrophobicContact CD1-CE1 4.45Å; F90-F121 AromaticContact CD1-CZ 3.87Å; F90-F121 HydrophobicContact CD1-CZ 3.87Å; F90-F121 HydrophobicContact CD2-CE1 4.09Å; F90-F121 AromaticContact CD2-CZ 3.75Å; F90-F121 HydrophobicContact CD2-CZ 3.75Å; F90-F121 HydrophobicContact CE1-CZ 4.04Å; F90-F121 AromaticContact CE2-CZ 3.91Å; F90-F121 HydrophobicContact CE2-CZ 3.91Å; F90-F121 AromaticContact CG-CE1 3.96Å; F90-F121 HydrophobicContact CG-CE1 3.96Å; F90-F121 AromaticContact CG-CZ 3.71Å; F90-F121 HydrophobicContact CG-CZ 3.71Å; F90-F121 HydrophobicContact CZ-CZ 4.05Å |
| 91 | V | 90.5 | Very high | 94.6 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 136.2 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | S46 L48 E50 C93 | S46-V91 VanDerWaalsContact O-CG2 3.31Å; S46-V91 WeakPolarHBondContact O-CG2 3.42Å; L48-V91 PolarHBondContact O-N 3.08Å; E50-V91 HydrophobicContact CB-CG2 4Å; V91-C93 PolarHBondContact O-N 3.03Å; V91-C93 VanDerWaalsContact O-N 3.08Å |
| 92 | H | 83.8 | Confident | 94.7 | Very high | 144 Ų | 144 | 63.9 Ų | 63.9 | 67% | 0.667 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 10.2 | -176.2 | -50 | -50.7 | 0 | 0 | 0 | 115.5 | F90 | F90-H92 PolarHBondContact O-N 2.67Š|
| 93 | C | 83.7 | Confident | 94.8 | Very high | 29 Ų | 29 | 62.5 Ų | 62.5 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | -97.7 | 124.8 | 169.6 | -162 | 0 | 0 | 0 | 0 | 109.1 | F90 V91 | F90-C93 HydrophobicContact CB-CB 3.95Å; F90-C93 WeakPolarHBondContact O-CB 3.04Å; F90-C93 PolarHBondContact O-N 3.34Å; V91-C93 PolarHBondContact O-N 3.03Å; V91-C93 VanDerWaalsContact O-N 3.08Å | ||
| 94 | K | 83.9 | Confident | 94.8 | Very high | 209 Ų | 209 | 64.7 Ų | 64.7 | 91% | 0.909 | 31% | 0.311 | S | S | * | . | trans | -73.3 | -21 | 173.2 | -70.2 | -171.5 | 178.5 | -175.8 | 0 | 112.3 | ||||
| 95 | R | 89 | Confident | 94.7 | Very high | 163 Ų | 163 | 65.1 Ų | 65.1 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | trans | -82.2 | 129.4 | -178.7 | 179.9 | 176.7 | -179.3 | -179.6 | 1.6 | 110 | Y97 | R95-Y97 HydrophobicContact CB-CE2 4.4Å; R95-Y97 HydrophobicContact CG-CD2 4.47Å; R95-Y97 HydrophobicContact CG-CE2 4.19Å | ||
| 96 | E | 94.4 | Very high | 94.7 | Very high | 86 Ų | 86 | 67.6 Ų | 67.6 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 143.1 | 162.4 | -66.3 | -170.5 | 155 | 0 | 0 | 109.3 | K51 V87 R89 | K51-E96 IonicContact NZ-OE1 3.47Å; K51-E96 PolarHBondContact NZ-OE1 2.84Å; V87-E96 HydrophobicContact CG1-CB 3.77Å; V87-E96 HydrophobicContact CG1-CG 4.14Å; R89-E96 HydrophobicContact CG-CG 4.44Å |
| 97 | Y | 96.3 | Very high | 94.6 | Very high | 27 Ų | 27 | 76.2 Ų | 76.2 | 11% | 0.106 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.7 | 177.3 | -63 | -100.5 | 0 | 0 | 0 | 109.1 | V87 I88 F90 R95 F119 | V87-Y97 WeakPolarHBondContact CA-O 3.49Å; I88-Y97 PolarHBondContact N-O 2.94Å; I88-Y97 PolarHBondContact O-N 2.81Å; F90-Y97 AromaticContact CD2-CD2 3.7Å; F90-Y97 HydrophobicContact CD2-CD2 3.7Å; F90-Y97 AromaticContact CD2-CE2 3.53Å; F90-Y97 HydrophobicContact CD2-CE2 3.53Å; F90-Y97 AromaticContact CE2-CD2 3.69Å; F90-Y97 HydrophobicContact CE2-CD2 3.69Å; F90-Y97 AromaticContact CE2-CE2 3.78Å; F90-Y97 HydrophobicContact CE2-CE2 3.78Å; F90-Y97 HydrophobicContact CE2-CG 4.36Å; R95-Y97 HydrophobicContact CB-CE2 4.4Å; R95-Y97 HydrophobicContact CG-CD2 4.47Å; R95-Y97 HydrophobicContact CG-CE2 4.19Å; Y97-F119 AromaticContact CD1-CD1 3.45Å; Y97-F119 HydrophobicContact CD1-CD1 3.45Å; Y97-F119 VanDerWaalsContact CD1-CD1 3.45Å; Y97-F119 AromaticContact CD1-CE1 3.84Å; Y97-F119 HydrophobicContact CD1-CE1 3.84Å; Y97-F119 HydrophobicContact CD2-CD1 4.21Å; Y97-F119 AromaticContact CE1-CD1 3.84Å; Y97-F119 HydrophobicContact CE1-CD1 3.84Å; Y97-F119 AromaticContact CG-CD1 3.63Å; Y97-F119 HydrophobicContact CG-CD1 3.63Å; Y97-F119 AromaticContact CG-CE1 3.76Å; Y97-F119 HydrophobicContact CG-CE1 3.76Å |
| 98 | N | 97.7 | Very high | 94.6 | Very high | 127 Ų | 127 | 77.2 Ų | 77.2 | 68% | 0.679 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.6 | 179.7 | -56.2 | -50 | 0 | 0 | 0 | 109.2 | I86 V87 | I86-N98 CarbonylContact O-C 3.49Å; I86-N98 WeakPolarHBondContact O-CA 3.5Å; V87-N98 WeakPolarHBondContact CG2-OD1 3.12Å |
| 99 | V | 97.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 82.2 Ų | 82.2 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.3 | 172.2 | 173.5 | 0 | 0 | 0 | 0 | 107 | V10 I86 I88 H117 F119 | V10-V99 HydrophobicContact CB-CG1 4.44Å; V10-V99 HydrophobicContact CG1-CG1 4.16Å; V10-V99 HydrophobicContact CG2-CG1 4.25Å; I86-V99 HydrophobicContact CB-CB 4.34Å; I86-V99 PolarHBondContact N-O 2.77Å; I86-V99 PolarHBondContact O-N 2.86Å; I88-V99 HydrophobicContact CD1-CG2 4.44Å; V99-H117 VanDerWaalsContact CG1-NE2 3.28Å; V99-H117 WeakPolarHBondContact CG1-NE2 3.47Å; V99-F119 HydrophobicContact CG2-CZ 4.43Å |
| 100 | E | 97.9 | Very high | 94.7 | Very high | 150 Ų | 150 | 85.5 Ų | 85.5 | 70% | 0.701 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113 | 168.8 | -172.5 | 169 | -176.8 | 0 | 0 | 107.7 | A83 | A83-E100 HydrophobicContact CB-CG 4.42Å |
| 101 | Y | 98.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 86.3 Ų | 86.3 | 2% | 0.016 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 112.7 | -176.2 | -177.6 | -108.7 | 0 | 0 | 0 | 110.8 | V10 G11 H12 V34 A83 I84 I86 M103 V113 I115 | V10-Y101 HydrophobicContact CB-CD2 4.47Å; V10-Y101 HydrophobicContact CG1-CD2 3.83Å; V10-Y101 HydrophobicContact CG1-CG 3.83Å; V10-Y101 WeakPolarHBondContact O-CE2 3.44Å; G11-Y101 VanDerWaalsContact CA-CZ 3.5Å; G11-Y101 WeakPolarHBondContact CA-OH 3.48Å; H12-Y101 HydrophobicContact CB-CE1 4.12Å; H12-Y101 PolarHBondContact N-OH 3.12Å; H12-Y101 AromaticContact ND1-CE1 3.64Å; H12-Y101 AromaticContact ND1-CZ 3.61Å; H12-Y101 PolarHBondContact ND1-OH 3.09Å; V34-Y101 HydrophobicContact CG2-CD1 4.08Å; V34-Y101 HydrophobicContact CG2-CE1 4.37Å; A83-Y101 CarbonylContact C-O 3.6Å; I84-Y101 PolarHBondContact N-O 3.42Å; I84-Y101 PolarHBondContact O-N 2.88Å; I86-Y101 HydrophobicContact CD1-CG 4.49Å; Y101-M103 HydrophobicContact CD1-CB 4.23Å; Y101-M103 HydrophobicContact CE1-CB 3.97Å; Y101-M103 PolarHBondContact O-N 2.75Å; Y101-V113 PolarHBondContact OH-O 2.84Å; Y101-V113 VanDerWaalsContact OH-O 3.09Å; Y101-I115 HydrophobicContact CD2-CD1 3.87Å; Y101-I115 HydrophobicContact CD2-CG1 4.02Å; Y101-I115 HydrophobicContact CE2-CD1 4.34Å; Y101-I115 HydrophobicContact CE2-CG1 4.12Å |
| 102 | D | 98.3 | Very high | 95.3 | Very high | 115 Ų | 115 | 89.8 Ų | 89.8 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 106.6 | 174.4 | -174.9 | 17.7 | 0 | 0 | 0 | 110.4 | ||
| 103 | M | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.3 | 176.5 | -179.3 | 175.6 | 76.2 | 0 | 0 | 109.6 | H12 W32 G81 F82 I84 Y101 L105 | H12-M103 HydrophobicContact CB-CG 4.02Å; H12-M103 HydrophobicContact CB-SD 3.83Å; W32-M103 HydrophobicContact CD2-CE 3.71Å; W32-M103 HydrophobicContact CD2-SD 3.94Å; W32-M103 HydrophobicContact CE3-CE 3.88Å; W32-M103 HydrophobicContact CE3-SD 3.72Å; W32-M103 HydrophobicContact CG-CE 4.21Å; W32-M103 HydrophobicContact CG-SD 4.32Å; W32-M103 HydrophobicContact CH2-CE 4.22Å; W32-M103 HydrophobicContact CZ2-CE 4.04Å; W32-M103 HydrophobicContact CZ3-CE 4.15Å; W32-M103 HydrophobicContact CZ3-SD 4.24Å; G81-M103 CarbonylContact C-O 3.57Å; G81-M103 VanDerWaalsContact C-O 3.31Å; G81-M103 WeakPolarHBondContact CA-O 3.46Å; F82-M103 HydrophobicContact CD1-CE 3.9Å; F82-M103 HydrophobicContact CE1-CE 3.21Å; F82-M103 HydrophobicContact CZ-CE 3.65Å; F82-M103 PolarHBondContact N-O 3.03Å; F82-M103 PolarHBondContact O-N 2.79Å; I84-M103 HydrophobicContact CD1-CB 3.89Å; I84-M103 HydrophobicContact CD1-CE 4.09Å; I84-M103 HydrophobicContact CD1-SD 3.99Å; I84-M103 HydrophobicContact CG1-CB 4.34Å; Y101-M103 HydrophobicContact CD1-CB 4.23Å; Y101-M103 HydrophobicContact CE1-CB 3.97Å; Y101-M103 PolarHBondContact O-N 2.75Å; M103-L105 HydrophobicContact CE-CD2 4.45Å; M103-L105 HydrophobicContact CG-CD2 4.44Å; M103-L105 HydrophobicContact SD-CD2 4.34Å |
| 104 | N | 98.1 | Very high | 96.7 | Very high | 91 Ų | 91 | 89.1 Ų | 89.1 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 113.3 | 177.2 | -177.2 | 7.8 | 0 | 0 | 0 | 111 | H12 R106 | H12-N104 PolarHBondContact NE2-O 3.44Å; N104-R106 PolarHBondContact O-N 2.93Å; N104-R106 VanDerWaalsContact O-N 3.14Å |
| 105 | L | 98.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 82.6 Ų | 82.6 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | trans | -80.2 | 96.6 | 179.8 | -52.7 | 169.7 | 0 | 0 | 0 | 109.6 | H30 W32 A80 M103 | H30-L105 HydrophobicContact CB-CD1 4.14Å; H30-L105 HydrophobicContact CB-CD2 4.47Å; W32-L105 HydrophobicContact CB-CD2 3.61Å; W32-L105 HydrophobicContact CG-CD1 4.37Å; W32-L105 HydrophobicContact CG-CD2 3.95Å; A80-L105 WeakPolarHBondContact O-CA 3.49Å; A80-L105 WeakPolarHBondContact O-CB 3.33Å; A80-L105 WeakPolarHBondContact O-CG 3.36Å; A80-L105 PolarHBondContact O-N 2.72Å; M103-L105 HydrophobicContact CE-CD2 4.45Å; M103-L105 HydrophobicContact CG-CD2 4.44Å; M103-L105 HydrophobicContact SD-CD2 4.34Å | ||
| 106 | R | 97.7 | Very high | 97.8 | Very high | 116 Ų | 116 | 79.7 Ų | 79.7 | 44% | 0.438 | 39% | 0.388 | S | S | . | . | trans | -73.4 | 140.2 | 177 | -64.8 | -171.3 | -69.6 | 150.6 | -14 | 110.7 | H30 N104 V108 D111 | H30-R106 PolarHBondContact NE2-O 3.47Å; N104-R106 PolarHBondContact O-N 2.93Å; N104-R106 VanDerWaalsContact O-N 3.14Å; R106-V108 HydrophobicContact CB-CG2 4.2Å; R106-V108 PolarHBondContact O-N 2.96Å; R106-D111 IonicContact CZ-OD1 3.48Å; R106-D111 IonicContact CZ-OD2 3Å; R106-D111 IonicContact NE-OD1 3.96Å; R106-D111 IonicContact NE-OD2 2.68Å; R106-D111 PolarHBondContact NE-OD2 2.83Å; R106-D111 IonicContact NH2-OD1 2.6Å; R106-D111 PolarHBondContact NH2-OD1 2.95Å; R106-D111 IonicContact NH2-OD2 2.76Å; R106-D111 PolarHBondContact NH2-OD2 2.93Å | ||
| 107 | Y | 96.5 | Very high | 97.8 | Very high | 183 Ų | 183 | 78.2 Ų | 78.2 | 72% | 0.718 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -75.2 | 67.9 | 178.7 | -154.7 | -93.6 | 0 | 0 | 0 | 111.6 | M16 | M16-Y107 HydrophobicContact CE-CD1 3.96Å; M16-Y107 HydrophobicContact CE-CD2 3.89Å; M16-Y107 HydrophobicContact CE-CE1 3.52Å; M16-Y107 HydrophobicContact CE-CE2 3.44Å; M16-Y107 VanDerWaalsContact CE-CE2 3.44Å; M16-Y107 HydrophobicContact CE-CG 4.14Å; M16-Y107 HydrophobicContact SD-CD1 4.1Å; M16-Y107 HydrophobicContact SD-CD2 4.35Å; M16-Y107 HydrophobicContact SD-CE1 4.23Å; M16-Y107 HydrophobicContact SD-CE2 4.47Å; M16-Y107 HydrophobicContact SD-CG 4.18Å |
| 108 | V | 98.2 | Very high | 97.7 | Very high | 50 Ų | 50 | 80.5 Ų | 80.5 | 30% | 0.303 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -133.6 | 148.7 | 175.7 | -64.5 | 0 | 0 | 0 | 0 | 108.5 | M16 R106 Q110 D111 | M16-V108 VanDerWaalsContact CG-O 3.32Å; M16-V108 WeakPolarHBondContact CG-O 3.49Å; R106-V108 HydrophobicContact CB-CG2 4.2Å; R106-V108 PolarHBondContact O-N 2.96Å; V108-Q110 PolarHBondContact O-N 2.98Å; V108-D111 HydrophobicContact CG2-CB 3.75Å |
| 109 | P | 98.2 | Very high | 97.4 | Very high | 105 Ų | 105 | 74.9 Ų | 74.9 | 68% | 0.682 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -52.5 | -38.9 | -171.9 | -29.6 | 35.5 | 0 | 0 | 0 | 114.4 | V15 M16 | V15-P109 WeakPolarHBondContact CA-O 3.19Å; M16-P109 PolarHBondContact N-O 2.81Å |
| 110 | Q | 98.4 | Very high | 96.9 | Very high | 146 Ų | 146 | 79.3 Ų | 79.3 | 68% | 0.682 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 141.8 | 175 | -179.4 | 172 | 22.1 | 0 | 0 | 109.6 | S14 V15 V108 | S14-Q110 WeakPolarHBondContact O-CA 3.47Å; V15-Q110 HydrophobicContact CG2-CG 4.15Å; V108-Q110 PolarHBondContact O-N 2.98Å |
| 111 | D | 98.4 | Very high | 96.4 | Very high | 18 Ų | 18 | 72.9 Ų | 72.9 | 10% | 0.096 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 157.7 | 177.4 | -161.7 | 15.8 | 0 | 0 | 0 | 113.3 | E13 S14 R106 V108 | E13-D111 CarbonylContact C-O 3.51Å; E13-D111 VanDerWaalsContact CA-O 3.25Å; E13-D111 WeakPolarHBondContact CA-O 3.46Å; S14-D111 PolarHBondContact N-O 2.96Å; S14-D111 PolarHBondContact O-N 2.76Å; R106-D111 IonicContact CZ-OD1 3.48Å; R106-D111 IonicContact CZ-OD2 3Å; R106-D111 IonicContact NE-OD1 3.96Å; R106-D111 IonicContact NE-OD2 2.68Å; R106-D111 PolarHBondContact NE-OD2 2.83Å; R106-D111 IonicContact NH2-OD1 2.6Å; R106-D111 PolarHBondContact NH2-OD1 2.95Å; R106-D111 IonicContact NH2-OD2 2.76Å; R106-D111 PolarHBondContact NH2-OD2 2.93Å; V108-D111 HydrophobicContact CG2-CB 3.75Å |
| 112 | K | 98.5 | Very high | 95.7 | Very high | 105 Ų | 105 | 76.2 Ų | 76.2 | 46% | 0.457 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 119.1 | 171.6 | -173.3 | 166.3 | -172.3 | 144.8 | 0 | 110.8 | H12 E13 R37 | H12-K112 WeakPolarHBondContact O-CA 3.36Å; E13-K112 HydrophobicContact CB-CB 4.33Å; E13-K112 HydrophobicContact CB-CD 4.45Å; E13-K112 HydrophobicContact CB-CG 4.21Å; E13-K112 IonicContact OE2-NZ 2.83Å; E13-K112 PolarHBondContact OE2-NZ 2.89Å; R37-K112 VanDerWaalsContact NH1-NZ 3.2Å |
| 113 | V | 98.4 | Very high | 95 | Very high | 52 Ų | 52 | 74.7 Ų | 74.7 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.1 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | G11 H12 Y101 | G11-V113 CarbonylContact C-O 3.51Å; G11-V113 WeakPolarHBondContact CA-O 3.29Å; H12-V113 PolarHBondContact N-O 3.05Å; H12-V113 PolarHBondContact O-N 3.39Å; Y101-V113 PolarHBondContact OH-O 2.84Å; Y101-V113 VanDerWaalsContact OH-O 3.09Å |
| 114 | K | 98 | Very high | 94.3 | Very high | 107 Ų | 107 | 75.2 Ų | 75.2 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 154.1 | 178.9 | 62.1 | -179.6 | -178.3 | -175.1 | 0 | 112.4 | E9 V10 F35 | E9-K114 HydrophobicContact CB-CB 4.41Å; E9-K114 HydrophobicContact CB-CD 3.99Å; E9-K114 WeakPolarHBondContact OE2-CD 3.39Å; E9-K114 WeakPolarHBondContact OE2-CE 3.31Å; E9-K114 IonicContact OE2-NZ 3.76Å; E9-K114 PolarHBondContact OE2-NZ 3.08Å; V10-K114 CarbonylContact O-C 3.31Å; V10-K114 WeakPolarHBondContact O-CA 3.25Å; F35-K114 HydrophobicContact CZ-CB 4.49Å |
| 115 | I | 97.5 | Very high | 93.6 | Very high | 72 Ų | 72 | 76.9 Ų | 76.9 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 150.3 | 168.9 | 60 | 178.1 | 0 | 0 | 0 | 109.4 | E9 V10 Y101 H117 | E9-I115 WeakPolarHBondContact CA-O 3.49Å; V10-I115 HydrophobicContact CB-CG1 4.3Å; V10-I115 PolarHBondContact N-O 3.43Å; V10-I115 PolarHBondContact O-N 2.94Å; Y101-I115 HydrophobicContact CD2-CD1 3.87Å; Y101-I115 HydrophobicContact CD2-CG1 4.02Å; Y101-I115 HydrophobicContact CE2-CD1 4.34Å; Y101-I115 HydrophobicContact CE2-CG1 4.12Å; I115-H117 WeakPolarHBondContact CD1-NE2 3.26Å |
| 116 | I | 97.2 | Very high | 93 | Very high | 101 Ų | 101 | 81 Ų | 81 | 52% | 0.518 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123.7 | 179.8 | -63.3 | 175.5 | 0 | 0 | 0 | 109.3 | R7 L8 V39 | R7-I116 HydrophobicContact CB-CG2 4.09Å; R7-I116 HydrophobicContact CG-CG2 4.41Å; L8-I116 WeakPolarHBondContact O-CA 3.36Å; V39-I116 HydrophobicContact CG1-CD1 4.42Å; V39-I116 HydrophobicContact CG2-CD1 4.26Å; V39-I116 HydrophobicContact CG2-CG1 4.05Å; V39-I116 HydrophobicContact CG2-CG2 4.09Å |
| 117 | H | 96.1 | Very high | 92.2 | Very high | 55 Ų | 55 | 78.9 Ų | 78.9 | 26% | 0.255 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.2 | 170.6 | -72.4 | -88.8 | 0 | 0 | 0 | 110.7 | R7 L8 V99 I115 F119 | R7-H117 WeakPolarHBondContact CA-O 3.45Å; L8-H117 PolarHBondContact N-O 3.17Å; L8-H117 PolarHBondContact O-N 3.06Å; V99-H117 VanDerWaalsContact CG1-NE2 3.28Å; V99-H117 WeakPolarHBondContact CG1-NE2 3.47Å; I115-H117 WeakPolarHBondContact CD1-NE2 3.26Å; H117-F119 HydrophobicContact CB-CD2 4.36Å; H117-F119 HydrophobicContact CB-CE2 3.41Å; H117-F119 VanDerWaalsContact CB-CE2 3.41Å; H117-F119 HydrophobicContact CB-CZ 3.64Å; H117-F119 WeakPolarHBondContact O-CE2 3.25Å |
| 118 | S | 93.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 71.5 Ų | 71.5 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.2 | 175.8 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 119 | F | 90.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.035 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113 | -179.6 | -58.4 | -95.6 | 0 | 0 | 0 | 109 | V5 L6 L8 I88 F90 Y97 V99 H117 F121 | V5-F119 WeakPolarHBondContact CA-O 3.35Å; L6-F119 HydrophobicContact CB-CB 4.43Å; L6-F119 PolarHBondContact N-O 3.17Å; L6-F119 PolarHBondContact O-N 2.89Å; L8-F119 HydrophobicContact CB-CD2 4.37Å; L8-F119 HydrophobicContact CB-CE2 3.81Å; L8-F119 HydrophobicContact CD1-CD2 3.96Å; L8-F119 HydrophobicContact CD1-CE2 3.63Å; L8-F119 HydrophobicContact CD1-CZ 4.2Å; L8-F119 HydrophobicContact CG-CD2 3.88Å; L8-F119 HydrophobicContact CG-CE2 3.71Å; I88-F119 HydrophobicContact CD1-CE1 4.27Å; I88-F119 HydrophobicContact CD1-CZ 3.76Å; F90-F119 HydrophobicContact CE2-CB 4.2Å; F90-F119 AromaticContact CE2-CD1 3.65Å; F90-F119 HydrophobicContact CE2-CD1 3.65Å; F90-F119 HydrophobicContact CE2-CE1 4.25Å; F90-F119 AromaticContact CE2-CG 3.96Å; F90-F119 HydrophobicContact CE2-CG 3.96Å; F90-F119 HydrophobicContact CZ-CB 4.21Å; F90-F119 AromaticContact CZ-CD1 3.98Å; F90-F119 HydrophobicContact CZ-CD1 3.98Å; F90-F119 HydrophobicContact CZ-CD2 4.33Å; F90-F119 HydrophobicContact CZ-CE1 4.48Å; F90-F119 AromaticContact CZ-CG 3.91Å; F90-F119 HydrophobicContact CZ-CG 3.91Å; Y97-F119 AromaticContact CD1-CD1 3.45Å; Y97-F119 HydrophobicContact CD1-CD1 3.45Å; Y97-F119 VanDerWaalsContact CD1-CD1 3.45Å; Y97-F119 AromaticContact CD1-CE1 3.84Å; Y97-F119 HydrophobicContact CD1-CE1 3.84Å; Y97-F119 HydrophobicContact CD2-CD1 4.21Å; Y97-F119 AromaticContact CE1-CD1 3.84Å; Y97-F119 HydrophobicContact CE1-CD1 3.84Å; Y97-F119 AromaticContact CG-CD1 3.63Å; Y97-F119 HydrophobicContact CG-CD1 3.63Å; Y97-F119 AromaticContact CG-CE1 3.76Å; Y97-F119 HydrophobicContact CG-CE1 3.76Å; V99-F119 HydrophobicContact CG2-CZ 4.43Å; H117-F119 HydrophobicContact CB-CD2 4.36Å; H117-F119 HydrophobicContact CB-CE2 3.41Å; H117-F119 VanDerWaalsContact CB-CE2 3.41Å; H117-F119 HydrophobicContact CB-CZ 3.64Å; H117-F119 WeakPolarHBondContact O-CE2 3.25Å; F119-F121 HydrophobicContact CB-CE2 3.97Å; F119-F121 HydrophobicContact CB-CZ 4.42Å; F119-F121 WeakPolarHBondContact O-CD2 3.28Å |
| 120 | E | 88.2 | Confident | 90.2 | Very high | 101 Ų | 101 | 74.7 Ų | 74.7 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.5 | 178.2 | -65.1 | -166.4 | -170.3 | 0 | 0 | 111.7 | K3 V5 | K3-E120 IonicContact NZ-OE2 3.44Å; K3-E120 PolarHBondContact NZ-OE2 3.46Å; V5-E120 HydrophobicContact CG2-CG 4.32Å |
| 121 | F | 86.7 | Confident | 89.4 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 115.9 | 171.3 | -60.5 | -93.1 | 0 | 0 | 0 | 109.1 | F4 L6 F90 F119 P124 L128 L132 | F4-F121 PolarHBondContact N-O 3.3Å; F4-F121 PolarHBondContact O-N 2.85Å; L6-F121 HydrophobicContact CB-CD2 4.49Å; L6-F121 HydrophobicContact CB-CE2 3.78Å; L6-F121 HydrophobicContact CD2-CE2 4.32Å; F90-F121 HydrophobicContact CB-CE1 4.13Å; F90-F121 HydrophobicContact CB-CZ 4.36Å; F90-F121 HydrophobicContact CD1-CE1 4.45Å; F90-F121 AromaticContact CD1-CZ 3.87Å; F90-F121 HydrophobicContact CD1-CZ 3.87Å; F90-F121 HydrophobicContact CD2-CE1 4.09Å; F90-F121 AromaticContact CD2-CZ 3.75Å; F90-F121 HydrophobicContact CD2-CZ 3.75Å; F90-F121 HydrophobicContact CE1-CZ 4.04Å; F90-F121 AromaticContact CE2-CZ 3.91Å; F90-F121 HydrophobicContact CE2-CZ 3.91Å; F90-F121 AromaticContact CG-CE1 3.96Å; F90-F121 HydrophobicContact CG-CE1 3.96Å; F90-F121 AromaticContact CG-CZ 3.71Å; F90-F121 HydrophobicContact CG-CZ 3.71Å; F90-F121 HydrophobicContact CZ-CZ 4.05Å; F119-F121 HydrophobicContact CB-CE2 3.97Å; F119-F121 HydrophobicContact CB-CZ 4.42Å; F119-F121 WeakPolarHBondContact O-CD2 3.28Å; F121-P124 HydrophobicContact CB-CB 4.12Å; F121-P124 HydrophobicContact CB-CG 3.99Å; F121-L128 HydrophobicContact CD1-CD2 3.86Å; F121-L128 HydrophobicContact CE1-CD2 4.2Å; F121-L128 HydrophobicContact CG-CD2 4.41Å; F121-L132 HydrophobicContact CB-CD1 4.12Å; F121-L132 HydrophobicContact CD2-CD1 3.76Å; F121-L132 HydrophobicContact CE2-CD1 4.41Å; F121-L132 HydrophobicContact CG-CD1 3.99Å |
| 122 | V | 84.9 | Confident | 88.7 | Confident | 74 Ų | 74 | 71 Ų | 71 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.7 | 176.4 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | M1 | M1-V122 HydrophobicContact CE-CG1 4.03Å; M1-V122 HydrophobicContact CG-CG1 3.65Å; M1-V122 HydrophobicContact SD-CG1 3.43Å; M1-V122 WeakPolarHBondContact SD-CG1 3.36Å; M1-V122 HydrophobicContact SD-CG2 4.4Å |
| 123 | N | 83.2 | Confident | 87.5 | Confident | 84 Ų | 84 | 69 Ų | 69 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 45.3 | 51.5 | -180 | -61.5 | -32.5 | 0 | 0 | 0 | 114.1 | E2 | E2-N123 PolarHBondContact N-OD1 2.82Å; E2-N123 VanDerWaalsContact N-OD1 3.17Å; E2-N123 PolarHBondContact O-N 3.14Å |
| 124 | P | 83.4 | Confident | 85.9 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 7% | 0.071 | 37% | 0.372 | C | S | . | . | trans | -61.1 | 158.1 | -177.8 | 22.2 | -27.7 | 0 | 0 | 0 | 111.7 | F4 F121 L128 R129 L132 | F4-P124 HydrophobicContact CB-CG 4.33Å; F4-P124 HydrophobicContact CD2-CG 3.51Å; F4-P124 HydrophobicContact CE2-CG 4.1Å; F4-P124 HydrophobicContact CG-CG 4.1Å; F121-P124 HydrophobicContact CB-CB 4.12Å; F121-P124 HydrophobicContact CB-CG 3.99Å; P124-L128 HydrophobicContact CB-CB 4.06Å; P124-L128 HydrophobicContact CB-CD2 3.59Å; P124-L128 HydrophobicContact CB-CG 3.79Å; P124-R129 HydrophobicContact CB-CG 4.36Å; P124-R129 HydrophobicContact CG-CG 3.76Å; P124-R129 WeakPolarHBondContact O-CD 3.34Å; P124-R129 WeakPolarHBondContact O-CG 3.42Å; P124-R129 PolarHBondContact O-NE 2.9Å; P124-L132 HydrophobicContact CG-CD1 4.26Å | ||
| 125 | K | 84.3 | Confident | 83.9 | Confident | 125 Ų | 125 | 68.8 Ų | 68.8 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | trans | -56.9 | 151.7 | 175.2 | -68.8 | -175.6 | 179.8 | 178.9 | 0 | 110.9 | S127 L128 R129 | K125-S127 PolarHBondContact O-N 2.9Å; K125-S127 VanDerWaalsContact O-N 3.12Å; K125-L128 PolarHBondContact O-N 3.29Å; K125-R129 PolarHBondContact O-N 3.25Å | ||
| 126 | P | 85.3 | Confident | 81.5 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 62% | 0.623 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -52.7 | -36.4 | -178.5 | -29.5 | 35.9 | 0 | 0 | 0 | 115.2 | R129 K130 | P126-R129 PolarHBondContact O-N 3.4Å; P126-K130 WeakPolarHBondContact O-CG 3.16Å; P126-K130 PolarHBondContact O-N 2.87Å |
| 127 | S | 81.4 | Confident | 79.1 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 51% | 0.51 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 175.9 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | K125 | K125-S127 PolarHBondContact O-N 2.9Å; K125-S127 VanDerWaalsContact O-N 3.12Å |
| 128 | L | 83.1 | Confident | 76.5 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 15% | 0.147 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -73.4 | -39.7 | 176.1 | 179.1 | 57.4 | 0 | 0 | 0 | 111.2 | L48 F121 P124 K125 K130 R131 L132 | L48-L128 HydrophobicContact CD1-CD1 3.3Å; F121-L128 HydrophobicContact CD1-CD2 3.86Å; F121-L128 HydrophobicContact CE1-CD2 4.2Å; F121-L128 HydrophobicContact CG-CD2 4.41Å; P124-L128 HydrophobicContact CB-CB 4.06Å; P124-L128 HydrophobicContact CB-CD2 3.59Å; P124-L128 HydrophobicContact CB-CG 3.79Å; K125-L128 PolarHBondContact O-N 3.29Å; L128-K130 PolarHBondContact O-N 2.68Å; L128-R131 PolarHBondContact O-N 3.28Å; L128-R131 VanDerWaalsContact O-N 3.13Å; L128-L132 HydrophobicContact CD1-CD1 3.91Å; L128-L132 HydrophobicContact CD1-CD2 4.34Å; L128-L132 HydrophobicContact CD1-CG 3.87Å; L128-L132 HydrophobicContact CD2-CD1 4.39Å; L128-L132 HydrophobicContact CG-CD1 3.78Å; L128-L132 HydrophobicContact CG-CG 4.18Å; L128-L132 WeakPolarHBondContact O-CG 3.31Å; L128-L132 PolarHBondContact O-N 2.89Å |
| 129 | R | 83.8 | Confident | 73.8 | Confident | 65 Ų | 65 | 80.7 Ų | 80.7 | 25% | 0.245 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -53.3 | -51.2 | 173.7 | -71.7 | 179.6 | -175.5 | -147 | 0.4 | 111.8 | E2 F4 P124 K125 P126 R131 L132 C133 | E2-R129 IonicContact OE1-CZ 3.49Å; E2-R129 IonicContact OE1-NH1 2.75Å; E2-R129 PolarHBondContact OE1-NH1 2.9Å; E2-R129 IonicContact OE2-CZ 3.18Å; E2-R129 IonicContact OE2-NH1 3.82Å; E2-R129 PolarHBondContact OE2-NH1 2.89Å; F4-R129 HydrophobicContact CD2-CG 4.48Å; F4-R129 HydrophobicContact CE2-CG 3.86Å; F4-R129 HydrophobicContact CZ-CB 4.28Å; F4-R129 HydrophobicContact CZ-CG 3.98Å; P124-R129 HydrophobicContact CB-CG 4.36Å; P124-R129 HydrophobicContact CG-CG 3.76Å; P124-R129 WeakPolarHBondContact O-CD 3.34Å; P124-R129 WeakPolarHBondContact O-CG 3.42Å; P124-R129 PolarHBondContact O-NE 2.9Å; K125-R129 PolarHBondContact O-N 3.25Å; P126-R129 PolarHBondContact O-N 3.4Å; R129-R131 PolarHBondContact O-N 2.85Å; R129-L132 PolarHBondContact O-N 3.06Å; R129-L132 VanDerWaalsContact O-N 3.13Å; R129-C133 PolarHBondContact O-N 2.93Å; R129-C133 PolarHBondContact O-SG 2.87Å |
| 130 | K | 83.5 | Confident | 73 | Confident | 156 Ų | 156 | 84.4 Ų | 84.4 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -56.3 | -37.8 | 179.1 | -74 | -177.1 | 179.9 | -174.9 | 0 | 112.4 | P126 L128 H134 | P126-K130 WeakPolarHBondContact O-CG 3.16Å; P126-K130 PolarHBondContact O-N 2.87Å; L128-K130 PolarHBondContact O-N 2.68Å; K130-H134 PolarHBondContact O-CE1 2.6Å; K130-H134 PolarHBondContact O-ND1 2.76Å |
| 131 | R | 81.2 | Confident | 72.2 | Confident | 86 Ų | 86 | 83.5 Ų | 83.5 | 33% | 0.325 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71 | -43.8 | 177.1 | -67.6 | 174.3 | -179.9 | -91.8 | 3.5 | 111.8 | D45 L128 R129 | D45-R131 IonicContact OD1-CZ 2.99Å; D45-R131 IonicContact OD1-NH1 3.96Å; D45-R131 PolarHBondContact OD1-NH1 2.93Å; D45-R131 IonicContact OD2-CZ 3.53Å; D45-R131 IonicContact OD2-NH1 3.57Å; D45-R131 PolarHBondContact OD2-NH1 2.92Å; D45-R131 IonicContact OD2-NH2 3.38Å; L128-R131 PolarHBondContact O-N 3.28Å; L128-R131 VanDerWaalsContact O-N 3.13Å; R129-R131 PolarHBondContact O-N 2.85Å |
| 132 | L | 82.8 | Confident | 71.4 | Confident | 2 Ų | 2 | 87.3 Ų | 87.3 | 1% | 0.01 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -74.3 | -23.4 | -179.8 | -63.7 | 177.9 | 0 | 0 | 0 | 113.7 | F4 L6 F121 P124 L128 R129 H134 A135 | F4-L132 HydrophobicContact CB-CB 4.03Å; F4-L132 HydrophobicContact CB-CD1 3.58Å; F4-L132 HydrophobicContact CB-CG 4.43Å; F4-L132 HydrophobicContact CD1-CB 3.91Å; F4-L132 HydrophobicContact CG-CB 4.26Å; F4-L132 HydrophobicContact CG-CD1 4.29Å; L6-L132 HydrophobicContact CB-CD2 3.91Å; L6-L132 HydrophobicContact CD1-CD2 4.13Å; L6-L132 HydrophobicContact CD2-CD2 4.44Å; L6-L132 HydrophobicContact CG-CD2 4.39Å; F121-L132 HydrophobicContact CB-CD1 4.12Å; F121-L132 HydrophobicContact CD2-CD1 3.76Å; F121-L132 HydrophobicContact CE2-CD1 4.41Å; F121-L132 HydrophobicContact CG-CD1 3.99Å; P124-L132 HydrophobicContact CG-CD1 4.26Å; L128-L132 HydrophobicContact CD1-CD1 3.91Å; L128-L132 HydrophobicContact CD1-CD2 4.34Å; L128-L132 HydrophobicContact CD1-CG 3.87Å; L128-L132 HydrophobicContact CD2-CD1 4.39Å; L128-L132 HydrophobicContact CG-CD1 3.78Å; L128-L132 HydrophobicContact CG-CG 4.18Å; L128-L132 WeakPolarHBondContact O-CG 3.31Å; L128-L132 PolarHBondContact O-N 2.89Å; R129-L132 PolarHBondContact O-N 3.06Å; R129-L132 VanDerWaalsContact O-N 3.13Å; L132-H134 PolarHBondContact O-N 3.04Å; L132-A135 WeakPolarHBondContact O-CB 3.32Å; L132-A135 PolarHBondContact O-N 3.06Å |
| 133 | C | 74.3 | Confident | 70.6 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 42% | 0.419 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.7 | -30.3 | 176.5 | -77.4 | 0 | 0 | 0 | 0 | 112.8 | R129 A135 K136 | R129-C133 PolarHBondContact O-N 2.93Å; R129-C133 PolarHBondContact O-SG 2.87Å; C133-A135 PolarHBondContact O-N 2.8Å; C133-K136 PolarHBondContact O-N 2.99Å |
| 134 | H | 64 | Low | 69.8 | Low | 134 Ų | 134 | 88.3 Ų | 88.3 | 62% | 0.62 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -11.9 | 175.5 | -61.6 | 87 | 0 | 0 | 0 | 112.8 | K130 L132 | K130-H134 PolarHBondContact O-CE1 2.6Å; K130-H134 PolarHBondContact O-ND1 2.76Å; L132-H134 PolarHBondContact O-N 3.04Å |
| 135 | A | 57 | Low | 68.9 | Low | 21 Ų | 21 | 93.5 Ų | 93.5 | 17% | 0.174 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -7.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V42 L132 C133 A137 | V42-A135 HydrophobicContact CG2-CB 3.76Å; L132-A135 WeakPolarHBondContact O-CB 3.32Å; L132-A135 PolarHBondContact O-N 3.06Å; C133-A135 PolarHBondContact O-N 2.8Å; A135-A137 PolarHBondContact O-N 3.25Å |
| 136 | K | 46.9 | Very low | 67.8 | Low | 166 Ų | 166 | 91.2 Ų | 91.2 | 72% | 0.722 | 50% | 0.501 | S | S | * | . | trans | -75.2 | 69.9 | 176.1 | -73.4 | -168.1 | 175.6 | -174.8 | 0 | 110.8 | C133 | C133-K136 PolarHBondContact O-N 2.99Š| ||
| 137 | A | 46.4 | Very low | 66.4 | Low | 84 Ų | 84 | 90.8 Ų | 90.8 | 69% | 0.694 | 49% | 0.492 | S | S | * | . | trans | -127.8 | 109.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | A135 | A135-A137 PolarHBondContact O-N 3.25Š| ||
| 138 | G | 42.3 | Very low | 65.2 | Low | 50 Ų | 50 | 92.3 Ų | 92.3 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | trans | 108.9 | 76.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 139 | L | 36.9 | Very low | 63.6 | Low | 254 Ų | 254 | 98.2 Ų | 98.2 | 100% | 1.33 | 52% | 0.521 | S | S | * | . | -83.7 | 0 | 129.5 | -81.1 | 169.7 | 0 | 0 | 0 | 107 |
Retrieved 139 of 139 residues in 111.8 ms
(Link to these results)