| 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 | 61.8 | Low | 91.9 | Very high | 134 Ų | 134 | 70.4 Ų | 70.4 | 66% | 0.66 | 39% | 0.387 | S | S | * | . | 0 | 118.2 | 0 | -175.9 | 164.7 | -77.5 | 0 | 0 | 106.2 | W116 Y161 | M1-W116 HydrophobicContact SD-CB 4.35Å; M1-Y161 HydrophobicContact CE-CD1 3.76Å; M1-Y161 HydrophobicContact CE-CD2 3.36Å; M1-Y161 HydrophobicContact CE-CE1 3.43Å; M1-Y161 VanDerWaalsContact CE-CE1 3.43Å; M1-Y161 HydrophobicContact CE-CE2 2.99Å; M1-Y161 HydrophobicContact CE-CG 3.7Å; M1-Y161 WeakPolarHBondContact CE-OH 3.32Å; M1-Y161 HydrophobicContact CG-CD1 4.28Å; M1-Y161 HydrophobicContact CG-CE1 4.44Å; M1-Y161 HydrophobicContact SD-CD1 3.5Å; M1-Y161 VanDerWaalsContact SD-CD1 3.5Å; M1-Y161 HydrophobicContact SD-CD2 4.27Å; M1-Y161 HydrophobicContact SD-CE1 3.13Å; M1-Y161 WeakPolarHBondContact SD-CE1 3.41Å; M1-Y161 HydrophobicContact SD-CE2 3.97Å; M1-Y161 HydrophobicContact SD-CG 4.03Å | |||
| 2 | N | 81.1 | Confident | 92.4 | Very high | 151 Ų | 151 | 64.5 Ų | 64.5 | 81% | 0.807 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 120.6 | 179.4 | -64.9 | -7.9 | 0 | 0 | 0 | 107.1 | R4 | N2-R4 PolarHBondContact O-N 3.13Š|
| 3 | C | 91.1 | Very high | 92.7 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -61 | 132.9 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | P115 | C3-P115 HydrophobicContact CB-CG 4.42Å; C3-P115 WeakPolarHBondContact CB-O 3.42Å |
| 4 | R | 93.1 | Very high | 92.9 | Very high | 34 Ų | 34 | 59.8 Ų | 59.8 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 145.2 | 176.2 | -54.1 | -158.2 | -51.1 | -94.2 | 21.5 | 110 | N2 W116 E117 V118 E160 Y161 | N2-R4 PolarHBondContact O-N 3.13Å; R4-W116 PolarHBondContact N-O 3.03Å; R4-W116 VanDerWaalsContact N-O 3.1Å; R4-E117 CarbonylContact O-C 3.58Å; R4-E117 VanDerWaalsContact O-CA 3.3Å; R4-E117 WeakPolarHBondContact O-CA 3.37Å; R4-V118 PolarHBondContact O-N 2.83Å; R4-E160 VanDerWaalsContact CD-OE1 3.29Å; R4-E160 WeakPolarHBondContact CD-OE1 3.36Å; R4-E160 WeakPolarHBondContact CD-OE2 3.3Å; R4-E160 IonicContact CZ-OE2 3.39Å; R4-E160 IonicContact NE-OE1 3.94Å; R4-E160 IonicContact NE-OE2 2.79Å; R4-E160 PolarHBondContact NE-OE2 3.11Å; R4-E160 IonicContact NH1-OE2 3.68Å; R4-E160 VanDerWaalsContact NH2-CB 3.27Å; R4-E160 IonicContact NH2-OE2 3.56Å; R4-E160 PolarHBondContact NH2-OE2 2.86Å; R4-Y161 PolarHBondContact NH1-O 2.72Å |
| 5 | S | 96 | Very high | 93.1 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 58% | 0.58 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130 | -179.2 | -60.8 | 0 | 0 | 0 | 0 | 110 | V118 | S5-V118 CarbonylContact C-O 3.5Å; S5-V118 VanDerWaalsContact CA-O 3.31Å; S5-V118 WeakPolarHBondContact CA-O 3.38Å |
| 6 | E | 97.8 | Very high | 93.4 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144 | -179.6 | -64.2 | -67.9 | 163.4 | 0 | 0 | 109.5 | V118 W119 S120 V155 R158 | E6-V118 PolarHBondContact N-O 2.81Å; E6-W119 HydrophobicContact CB-CD2 4.02Å; E6-W119 HydrophobicContact CB-CE3 3.59Å; E6-W119 HydrophobicContact CB-CH2 4.16Å; E6-W119 HydrophobicContact CB-CZ3 3.66Å; E6-W119 HydrophobicContact CG-CE3 4.36Å; E6-W119 HydrophobicContact CG-CH2 4.1Å; E6-W119 HydrophobicContact CG-CZ2 4.3Å; E6-W119 HydrophobicContact CG-CZ3 4.12Å; E6-S120 PolarHBondContact O-N 3.35Å; E6-V155 HydrophobicContact CG-CG1 3.76Å; E6-V155 WeakPolarHBondContact OE1-CG1 3.39Å; E6-R158 IonicContact OE1-NH1 2.76Å |
| 7 | V | 98.1 | Very high | 93.7 | Very high | 72 Ų | 72 | 53.8 Ų | 53.8 | 44% | 0.436 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.6 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | E9 S120 K122 | V7-E9 HydrophobicContact CG1-CG 4Å; V7-S120 CarbonylContact C-O 3.57Å; V7-S120 VanDerWaalsContact CA-O 3.3Å; V7-S120 WeakPolarHBondContact CA-O 3.35Å; V7-K122 HydrophobicContact CG1-CD 4.11Å; V7-K122 HydrophobicContact CG1-CG 4.18Å |
| 8 | L | 98.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.3 | 172 | -57.4 | 172.3 | 0 | 0 | 0 | 107.9 | L24 W119 S120 I121 K122 K148 V152 | L8-L24 HydrophobicContact CD1-CD1 4.28Å; L8-L24 HydrophobicContact CD1-CD2 4.38Å; L8-W119 HydrophobicContact CD1-CE3 4.11Å; L8-W119 HydrophobicContact CD1-CZ3 4.32Å; L8-W119 HydrophobicContact CG-CE3 4.42Å; L8-S120 PolarHBondContact N-O 3.39Å; L8-I121 HydrophobicContact CB-CG1 4.37Å; L8-I121 HydrophobicContact CD1-CG1 4.19Å; L8-I121 CarbonylContact O-C 3.59Å; L8-I121 WeakPolarHBondContact O-CA 3.48Å; L8-K122 PolarHBondContact O-N 2.76Å; L8-K148 HydrophobicContact CD2-CD 4.29Å; L8-V152 HydrophobicContact CD1-CG2 3.67Å; L8-V152 HydrophobicContact CD2-CG2 4.42Å |
| 9 | E | 98.2 | Very high | 94.2 | Very high | 107 Ų | 107 | 51.9 Ų | 51.9 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.4 | -179.2 | -54 | -168.5 | 162.7 | 0 | 0 | 109.4 | V7 K122 K148 | V7-E9 HydrophobicContact CG1-CG 4Å; E9-K122 WeakPolarHBondContact CA-O 3.43Å; E9-K122 HydrophobicContact CG-CB 4.17Å; E9-K122 HydrophobicContact CG-CD 4.17Å; E9-K122 HydrophobicContact CG-CG 4.45Å; E9-K122 WeakPolarHBondContact OE1-CD 3.48Å; E9-K122 IonicContact OE1-NZ 4Å; E9-K122 PolarHBondContact OE1-NZ 3.27Å; E9-K148 WeakPolarHBondContact O-CE 3.4Å; E9-K148 PolarHBondContact O-NZ 3.47Å |
| 10 | V | 97.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 7% | 0.073 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.1 | 178.5 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | V12 M21 L24 K122 V123 S124 L145 K148 | V10-V12 HydrophobicContact CB-CG1 4.34Å; V10-V12 HydrophobicContact CG2-CG1 4.37Å; V10-M21 HydrophobicContact CG2-CE 3.59Å; V10-L24 HydrophobicContact CG1-CD1 4.16Å; V10-K122 PolarHBondContact N-O 2.74Å; V10-V123 HydrophobicContact CG2-CB 4.35Å; V10-V123 HydrophobicContact CG2-CG2 4.19Å; V10-V123 WeakPolarHBondContact O-CA 3.32Å; V10-S124 PolarHBondContact O-N 3.02Å; V10-L145 HydrophobicContact CG1-CD2 4.29Å; V10-K148 HydrophobicContact CG1-CG 4.17Å |
| 11 | T | 97.8 | Very high | 94.6 | Very high | 84 Ų | 84 | 47 Ų | 47 | 52% | 0.515 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.6 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 108 | S124 V126 | T11-S124 VanDerWaalsContact CA-O 3.31Å; T11-S124 WeakPolarHBondContact CA-O 3.41Å; T11-V126 HydrophobicContact CG2-CB 4.48Å; T11-V126 HydrophobicContact CG2-CG1 3.43Å; T11-V126 VanDerWaalsContact CG2-CG1 3.43Å; T11-V126 HydrophobicContact CG2-CG2 4.24Å |
| 12 | V | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 158.9 | -167.5 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | V10 Q16 V17 A20 V123 S124 V125 V126 V141 | V10-V12 HydrophobicContact CB-CG1 4.34Å; V10-V12 HydrophobicContact CG2-CG1 4.37Å; V12-Q16 HydrophobicContact CB-CB 3.96Å; V12-V17 HydrophobicContact CG2-CB 4.45Å; V12-V17 HydrophobicContact CG2-CG2 3.65Å; V12-A20 HydrophobicContact CG1-CB 4.1Å; V12-V123 HydrophobicContact CG2-CG2 3.54Å; V12-S124 PolarHBondContact N-O 3.39Å; V12-V125 VanDerWaalsContact O-CA 3.32Å; V12-V125 WeakPolarHBondContact O-CA 3.48Å; V12-V126 PolarHBondContact O-N 2.84Å; V12-V141 HydrophobicContact CG1-CG1 3.83Å; V12-V141 HydrophobicContact CG1-CG2 4.18Å |
| 13 | E | 96.7 | Very high | 97.2 | Very high | 20 Ų | 20 | 33.5 Ų | 33.5 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 152.9 | 165.6 | -172.7 | 179.6 | -152.2 | 0 | 0 | 110.1 | R15 Q16 L128 R134 | E13-R15 HydrophobicContact CG-CG 4.3Å; E13-R15 PolarHBondContact O-N 3.41Å; E13-R15 IonicContact OE2-CZ 3.23Å; E13-R15 IonicContact OE2-NE 3.39Å; E13-R15 PolarHBondContact OE2-NE 3.43Å; E13-R15 IonicContact OE2-NH2 2.74Å; E13-Q16 HydrophobicContact CB-CG 4.35Å; E13-Q16 WeakPolarHBondContact O-CB 3.35Å; E13-Q16 PolarHBondContact O-N 3.26Å; E13-L128 HydrophobicContact CB-CD1 4.03Å; E13-L128 HydrophobicContact CG-CD1 4.21Å; E13-L128 HydrophobicContact CG-CG 4.5Å; E13-R134 VanDerWaalsContact OE1-CD 3.31Å; E13-R134 WeakPolarHBondContact OE1-CD 3.44Å; E13-R134 IonicContact OE1-CZ 3.83Å; E13-R134 IonicContact OE1-NE 2.84Å; E13-R134 PolarHBondContact OE1-NE 2.78Å |
| 14 | A | 95.3 | Very high | 97.6 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -50.4 | -38.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q16 V17 V125 | A14-Q16 VanDerWaalsContact C-N 3.27Å; A14-Q16 PolarHBondContact O-N 2.93Å; A14-V17 WeakPolarHBondContact O-CG2 3.39Å; A14-V17 PolarHBondContact O-N 2.93Å; A14-V125 HydrophobicContact CB-CG1 3.85Å |
| 15 | R | 95.3 | Very high | 97.9 | Very high | 76 Ų | 76 | 29.7 Ų | 29.7 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -69.9 | -21.4 | 179 | 66.3 | -179 | 178 | 152.4 | -0.2 | 114.1 | E13 F59 | E13-R15 HydrophobicContact CG-CG 4.3Å; E13-R15 PolarHBondContact O-N 3.41Å; E13-R15 IonicContact OE2-CZ 3.23Å; E13-R15 IonicContact OE2-NE 3.39Å; E13-R15 PolarHBondContact OE2-NE 3.43Å; E13-R15 IonicContact OE2-NH2 2.74Å; R15-F59 HydrophobicContact CB-CD1 4.47Å; R15-F59 HydrophobicContact CB-CG 4.36Å; R15-F59 HydrophobicContact CG-CB 4.21Å; R15-F59 HydrophobicContact CG-CD1 4.13Å; R15-F59 HydrophobicContact CG-CG 4.13Å |
| 16 | Q | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -89.3 | -13.1 | -177.6 | -64.7 | 176.2 | -39.1 | 0 | 0 | 112.9 | V12 E13 A14 E18 E19 A20 F59 I60 C137 | V12-Q16 HydrophobicContact CB-CB 3.96Å; E13-Q16 HydrophobicContact CB-CG 4.35Å; E13-Q16 WeakPolarHBondContact O-CB 3.35Å; E13-Q16 PolarHBondContact O-N 3.26Å; A14-Q16 VanDerWaalsContact C-N 3.27Å; A14-Q16 PolarHBondContact O-N 2.93Å; Q16-E18 VanDerWaalsContact C-N 3.29Å; Q16-E18 PolarHBondContact O-N 3.38Å; Q16-E19 PolarHBondContact O-N 3.4Å; Q16-A20 WeakPolarHBondContact O-CB 3.49Å; Q16-A20 PolarHBondContact O-N 2.93Å; Q16-F59 HydrophobicContact CG-CB 3.97Å; Q16-F59 WeakPolarHBondContact CG-O 3.5Å; Q16-F59 PolarHBondContact NE2-O 2.72Å; Q16-I60 HydrophobicContact CB-CD1 3.97Å; Q16-I60 HydrophobicContact CB-CG1 3.87Å; Q16-I60 HydrophobicContact CG-CD1 4.45Å; Q16-I60 HydrophobicContact CG-CG1 3.79Å; Q16-C137 PolarHBondContact OE1-SG 3.44Å |
| 17 | V | 98.1 | Very high | 98 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -53.8 | -47.2 | -176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | V12 A14 M21 F83 K84 L87 V123 V125 | V12-V17 HydrophobicContact CG2-CB 4.45Å; V12-V17 HydrophobicContact CG2-CG2 3.65Å; A14-V17 WeakPolarHBondContact O-CG2 3.39Å; A14-V17 PolarHBondContact O-N 2.93Å; V17-M21 HydrophobicContact CG1-CG 4.32Å; V17-M21 WeakPolarHBondContact O-CB 3.44Å; V17-M21 VanDerWaalsContact O-CG 3.23Å; V17-M21 WeakPolarHBondContact O-CG 3.35Å; V17-M21 PolarHBondContact O-N 3.32Å; V17-F83 HydrophobicContact CG1-CD1 4.49Å; V17-F83 HydrophobicContact CG1-CE1 4.24Å; V17-K84 HydrophobicContact CG1-CB 4.39Å; V17-K84 HydrophobicContact CG1-CG 4.46Å; V17-L87 HydrophobicContact CG1-CD2 4.23Å; V17-L87 HydrophobicContact CG2-CD2 4.25Å; V17-V123 HydrophobicContact CG2-CG2 4.37Å; V17-V125 HydrophobicContact CG2-CG2 4Å |
| 18 | E | 98.2 | Very high | 98 | Very high | 49 Ų | 49 | 20.8 Ų | 20.8 | 23% | 0.229 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | -175.3 | -167.7 | 169.6 | 149.1 | 0 | 0 | 112.1 | Q16 M21 L22 V80 K84 | Q16-E18 VanDerWaalsContact C-N 3.29Å; Q16-E18 PolarHBondContact O-N 3.38Å; E18-M21 PolarHBondContact O-N 3.06Å; E18-L22 HydrophobicContact CG-CD1 3.96Å; E18-L22 WeakPolarHBondContact O-CB 3.49Å; E18-L22 WeakPolarHBondContact O-CG 3.27Å; E18-L22 PolarHBondContact O-N 3.14Å; E18-V80 HydrophobicContact CB-CG1 4.3Å; E18-V80 HydrophobicContact CG-CG1 3.88Å; E18-K84 HydrophobicContact CB-CD 4.27Å; E18-K84 IonicContact OE2-NZ 3.54Å; E18-K84 PolarHBondContact OE2-NZ 3.45Å |
| 19 | E | 98.8 | Very high | 98.1 | Very high | 23 Ų | 23 | 20.4 Ų | 20.4 | 11% | 0.107 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | -179.9 | -68 | 179.1 | 161 | 0 | 0 | 112.2 | Q16 M21 L22 A23 C57 D58 F59 I60 | Q16-E19 PolarHBondContact O-N 3.4Å; E19-M21 PolarHBondContact O-N 3.25Å; E19-L22 PolarHBondContact O-N 3.38Å; E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.45Å; E19-A23 PolarHBondContact O-N 3.12Å; E19-C57 HydrophobicContact CB-CB 4.33Å; E19-C57 HydrophobicContact CG-CB 4.36Å; E19-C57 WeakPolarHBondContact OE2-CB 3.43Å; E19-D58 WeakPolarHBondContact OE1-CA 3.45Å; E19-D58 WeakPolarHBondContact OE1-CB 3.31Å; E19-D58 PolarHBondContact OE1-N 2.96Å; E19-F59 PolarHBondContact OE1-N 2.9Å; E19-F59 WeakPolarHBondContact OE2-CA 3.34Å; E19-F59 VanDerWaalsContact OE2-CB 3.31Å; E19-F59 WeakPolarHBondContact OE2-CB 3.49Å; E19-F59 PolarHBondContact OE2-N 3.32Å; E19-I60 HydrophobicContact CB-CD1 3.74Å; E19-I60 HydrophobicContact CB-CG1 4.39Å; E19-I60 PolarHBondContact OE2-N 3.14Å |
| 20 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | V12 Q16 L24 I60 L145 | V12-A20 HydrophobicContact CG1-CB 4.1Å; Q16-A20 WeakPolarHBondContact O-CB 3.49Å; Q16-A20 PolarHBondContact O-N 2.93Å; A20-L24 WeakPolarHBondContact O-CG 3.44Å; A20-L24 PolarHBondContact O-N 3.4Å; A20-I60 HydrophobicContact CB-CD1 3.99Å; A20-L145 HydrophobicContact CB-CD1 4.38Å; A20-L145 HydrophobicContact CB-CD2 4.2Å |
| 21 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68 | -44 | 177.4 | -67.6 | -53.1 | 98.8 | 0 | 0 | 111.4 | V10 V17 E18 E19 L24 L25 V80 F83 I95 I121 V123 | V10-M21 HydrophobicContact CG2-CE 3.59Å; V17-M21 HydrophobicContact CG1-CG 4.32Å; V17-M21 WeakPolarHBondContact O-CB 3.44Å; V17-M21 VanDerWaalsContact O-CG 3.23Å; V17-M21 WeakPolarHBondContact O-CG 3.35Å; V17-M21 PolarHBondContact O-N 3.32Å; E18-M21 PolarHBondContact O-N 3.06Å; E19-M21 PolarHBondContact O-N 3.25Å; M21-L24 PolarHBondContact O-N 3.13Å; M21-L25 WeakPolarHBondContact O-CB 3.3Å; M21-L25 VanDerWaalsContact O-CG 3.26Å; M21-L25 WeakPolarHBondContact O-CG 3.49Å; M21-L25 PolarHBondContact O-N 3.39Å; M21-V80 HydrophobicContact CB-CG1 3.75Å; M21-V80 HydrophobicContact CB-CG2 3.9Å; M21-V80 HydrophobicContact CG-CG1 4.33Å; M21-F83 HydrophobicContact CG-CD1 4.26Å; M21-F83 HydrophobicContact CG-CE1 4.09Å; M21-F83 HydrophobicContact SD-CE1 4.13Å; M21-I95 HydrophobicContact CG-CG2 4.47Å; M21-I95 HydrophobicContact SD-CG2 3.61Å; M21-I121 HydrophobicContact CE-CG2 3.52Å; M21-I121 HydrophobicContact SD-CB 4.17Å; M21-I121 HydrophobicContact SD-CG2 3.59Å; M21-I121 VanDerWaalsContact SD-CG2 3.59Å; M21-V123 HydrophobicContact CE-CB 4.07Å; M21-V123 HydrophobicContact CE-CG2 4.27Å |
| 22 | L | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 178.7 | -73.4 | 169.2 | 0 | 0 | 0 | 111.7 | E18 E19 L24 L25 H26 F64 I76 R77 V80 | E18-L22 HydrophobicContact CG-CD1 3.96Å; E18-L22 WeakPolarHBondContact O-CB 3.49Å; E18-L22 WeakPolarHBondContact O-CG 3.27Å; E18-L22 PolarHBondContact O-N 3.14Å; E19-L22 PolarHBondContact O-N 3.38Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.49Å; L22-L25 PolarHBondContact O-N 2.99Å; L22-H26 VanDerWaalsContact O-CB 3.24Å; L22-H26 WeakPolarHBondContact O-CB 3.5Å; L22-H26 PolarHBondContact O-CD2 3.02Å; L22-H26 PolarHBondContact O-N 2.87Å; L22-F64 HydrophobicContact CB-CZ 4.1Å; L22-I76 HydrophobicContact CD2-CB 4.39Å; L22-I76 HydrophobicContact CD2-CG2 3.84Å; L22-R77 HydrophobicContact CD1-CG 4.1Å; L22-R77 VanDerWaalsContact CD1-NH1 3.34Å; L22-R77 HydrophobicContact CD2-CG 3.71Å; L22-V80 HydrophobicContact CD2-CG2 4.16Å; L22-V80 HydrophobicContact CG-CG1 4.49Å; L22-V80 HydrophobicContact CG-CG2 4.42Å |
| 23 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E19 T27 F62 F64 L145 | E19-A23 VanDerWaalsContact O-CB 3.3Å; E19-A23 WeakPolarHBondContact O-CB 3.45Å; E19-A23 PolarHBondContact O-N 3.12Å; A23-T27 WeakPolarHBondContact O-CB 3.32Å; A23-T27 PolarHBondContact O-N 2.71Å; A23-T27 VanDerWaalsContact O-N 3.09Å; A23-T27 PolarHBondContact O-OG1 3.5Å; A23-F62 HydrophobicContact CB-CD1 4.31Å; A23-F62 HydrophobicContact CB-CE1 4.15Å; A23-F64 HydrophobicContact CB-CB 3.87Å; A23-F64 HydrophobicContact CB-CD1 3.76Å; A23-F64 HydrophobicContact CB-CE1 4.43Å; A23-F64 HydrophobicContact CB-CG 3.83Å; A23-L145 HydrophobicContact CB-CD1 4.26Å |
| 24 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -73.4 | -44.9 | -178.8 | -64.4 | 179.3 | 0 | 0 | 0 | 112.5 | L8 V10 A20 M21 L22 T27 I28 I121 L145 K148 V149 | L8-L24 HydrophobicContact CD1-CD1 4.28Å; L8-L24 HydrophobicContact CD1-CD2 4.38Å; V10-L24 HydrophobicContact CG1-CD1 4.16Å; A20-L24 WeakPolarHBondContact O-CG 3.44Å; A20-L24 PolarHBondContact O-N 3.4Å; M21-L24 PolarHBondContact O-N 3.13Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.49Å; L24-T27 PolarHBondContact O-N 2.62Å; L24-I28 WeakPolarHBondContact O-CD1 3.19Å; L24-I28 WeakPolarHBondContact O-CG1 3.33Å; L24-I28 PolarHBondContact O-N 2.97Å; L24-I121 HydrophobicContact CB-CD1 3.62Å; L24-I121 HydrophobicContact CB-CG1 4.35Å; L24-I121 HydrophobicContact CD1-CD1 4.37Å; L24-I121 HydrophobicContact CD1-CG1 4.34Å; L24-I121 HydrophobicContact CD1-CG2 3.64Å; L24-L145 HydrophobicContact CD1-CD2 4.24Å; L24-L145 HydrophobicContact CD2-CD2 4.23Å; L24-L145 HydrophobicContact CG-CD2 4.09Å; L24-K148 HydrophobicContact CD2-CB 3.64Å; L24-V149 HydrophobicContact CD2-CG2 4.43Å |
| 25 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 179.3 | -71.2 | 169.5 | 0 | 0 | 0 | 111.8 | M21 L22 I28 L29 I76 V80 I95 L97 I121 | M21-L25 WeakPolarHBondContact O-CB 3.3Å; M21-L25 VanDerWaalsContact O-CG 3.26Å; M21-L25 WeakPolarHBondContact O-CG 3.49Å; M21-L25 PolarHBondContact O-N 3.39Å; L22-L25 PolarHBondContact O-N 2.99Å; L25-I28 PolarHBondContact O-N 2.84Å; L25-L29 WeakPolarHBondContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.22Å; L25-L29 PolarHBondContact O-N 3.3Å; L25-I76 HydrophobicContact CB-CG2 3.91Å; L25-I76 HydrophobicContact CD1-CG2 3.79Å; L25-I76 HydrophobicContact CG-CG2 4.5Å; L25-V80 HydrophobicContact CD1-CG2 3.62Å; L25-I95 HydrophobicContact CD1-CD1 3.98Å; L25-I95 HydrophobicContact CD1-CG2 4.41Å; L25-L97 HydrophobicContact CD2-CB 3.87Å; L25-L97 HydrophobicContact CD2-CD2 4.05Å; L25-I121 HydrophobicContact CD2-CD1 3.75Å; L25-I121 HydrophobicContact CG-CD1 3.8Å |
| 26 | H | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.9 | -36.8 | 177 | -81.7 | -59.9 | 0 | 0 | 0 | 112.5 | L22 I28 L29 L30 F64 R66 D73 | L22-H26 VanDerWaalsContact O-CB 3.24Å; L22-H26 WeakPolarHBondContact O-CB 3.5Å; L22-H26 PolarHBondContact O-CD2 3.02Å; L22-H26 PolarHBondContact O-N 2.87Å; H26-I28 VanDerWaalsContact C-N 3.33Å; H26-I28 PolarHBondContact O-N 2.8Å; H26-L29 PolarHBondContact O-N 3.1Å; H26-L30 VanDerWaalsContact O-CB 3.3Å; H26-L30 WeakPolarHBondContact O-CB 3.38Å; H26-L30 PolarHBondContact O-N 2.76Å; H26-F64 HydrophobicContact CB-CD2 4.05Å; H26-F64 HydrophobicContact CB-CE2 3.95Å; H26-F64 AromaticContact CD2-CE2 3.63Å; H26-R66 HydrophobicContact CB-CB 3.76Å; H26-D73 IonicContact CD2-OD1 3.29Å; H26-D73 IonicContact CE1-OD1 3.3Å; H26-D73 PolarHBondContact CE1-OD1 2.96Å; H26-D73 IonicContact NE2-OD1 3.99Å; H26-D73 PolarHBondContact NE2-OD1 3.12Å |
| 27 | T | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 16 Ų | 16 | 5% | 0.049 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 172.9 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | A23 L24 H31 V149 V152 | A23-T27 WeakPolarHBondContact O-CB 3.32Å; A23-T27 PolarHBondContact O-N 2.71Å; A23-T27 VanDerWaalsContact O-N 3.09Å; A23-T27 PolarHBondContact O-OG1 3.5Å; L24-T27 PolarHBondContact O-N 2.62Å; T27-H31 PolarHBondContact O-ND1 3.38Å; T27-V149 HydrophobicContact CG2-CG1 4.04Å; T27-V149 HydrophobicContact CG2-CG2 4.25Å; T27-V152 HydrophobicContact CG2-CB 4.33Å; T27-V152 HydrophobicContact CG2-CG1 3.95Å |
| 28 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | 177.6 | -64.4 | 156.8 | 0 | 0 | 0 | 110.6 | L24 L25 H26 L30 H31 R32 L97 F99 W119 V152 | L24-I28 WeakPolarHBondContact O-CD1 3.19Å; L24-I28 WeakPolarHBondContact O-CG1 3.33Å; L24-I28 PolarHBondContact O-N 2.97Å; L25-I28 PolarHBondContact O-N 2.84Å; H26-I28 VanDerWaalsContact C-N 3.33Å; H26-I28 PolarHBondContact O-N 2.8Å; I28-L30 VanDerWaalsContact C-N 3.32Å; I28-L30 PolarHBondContact O-N 2.76Å; I28-H31 PolarHBondContact O-N 2.85Å; I28-H31 VanDerWaalsContact O-N 3.15Å; I28-R32 HydrophobicContact CG2-CG 4.41Å; I28-R32 WeakPolarHBondContact O-CB 3.35Å; I28-R32 WeakPolarHBondContact O-CG 3.39Å; I28-R32 PolarHBondContact O-N 3.31Å; I28-R32 VanDerWaalsContact O-N 3.12Å; I28-L97 HydrophobicContact CB-CD2 4.13Å; I28-L97 HydrophobicContact CG2-CD2 3.7Å; I28-F99 HydrophobicContact CG2-CE2 3.72Å; I28-F99 HydrophobicContact CG2-CZ 3.93Å; I28-W119 HydrophobicContact CD1-CB 3.68Å; I28-W119 HydrophobicContact CD1-CD2 3.68Å; I28-W119 HydrophobicContact CD1-CE3 3.86Å; I28-W119 HydrophobicContact CD1-CG 3.62Å; I28-W119 HydrophobicContact CG1-CD2 3.95Å; I28-W119 HydrophobicContact CG1-CE3 4.22Å; I28-W119 HydrophobicContact CG1-CG 4.17Å; I28-W119 HydrophobicContact CG2-CD2 4.34Å; I28-W119 HydrophobicContact CG2-CG 4.02Å; I28-V152 HydrophobicContact CG1-CG1 3.87Å; I28-V152 HydrophobicContact CG1-CG2 4.21Å |
| 29 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.7 | -33 | -179 | -77.5 | 163.4 | 0 | 0 | 0 | 113.1 | L25 H26 H31 R32 S33 L72 I76 L97 F99 Y187 | L25-L29 WeakPolarHBondContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CG 3.22Å; L25-L29 PolarHBondContact O-N 3.3Å; H26-L29 PolarHBondContact O-N 3.1Å; L29-H31 PolarHBondContact O-N 3.06Å; L29-R32 CarbonylContact O-C 3.59Å; L29-R32 PolarHBondContact O-N 3.12Å; L29-R32 VanDerWaalsContact O-N 3.08Å; L29-S33 WeakPolarHBondContact O-CB 3.31Å; L29-S33 PolarHBondContact O-N 3.4Å; L29-S33 PolarHBondContact O-OG 2.9Å; L29-L72 HydrophobicContact CD1-CD1 4.3Å; L29-I76 HydrophobicContact CD1-CD1 3.35Å; L29-I76 HydrophobicContact CD1-CG1 3.64Å; L29-L97 HydrophobicContact CD2-CD2 4.4Å; L29-L97 HydrophobicContact CG-CD2 4.11Å; L29-F99 HydrophobicContact CD2-CE1 4.18Å; L29-F99 HydrophobicContact CD2-CZ 4.24Å; L29-Y187 HydrophobicContact CD2-CD1 4.44Å |
| 30 | L | 98.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 25.4 Ų | 25.4 | 24% | 0.241 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.5 | -42.3 | 172.7 | 176.4 | 62.3 | 0 | 0 | 0 | 111.2 | H26 I28 R32 T52 V65 V67 | H26-L30 VanDerWaalsContact O-CB 3.3Å; H26-L30 WeakPolarHBondContact O-CB 3.38Å; H26-L30 PolarHBondContact O-N 2.76Å; I28-L30 VanDerWaalsContact C-N 3.32Å; I28-L30 PolarHBondContact O-N 2.76Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-T52 HydrophobicContact CD1-CG2 3.67Å; L30-V65 HydrophobicContact CD2-CB 4.22Å; L30-V65 HydrophobicContact CD2-CG1 4.08Å; L30-V67 HydrophobicContact CD1-CG2 3.92Å |
| 31 | H | 97.2 | Very high | 97.1 | Very high | 72 Ų | 72 | 35.6 Ų | 35.6 | 33% | 0.333 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.3 | 179.4 | -65.9 | 85.6 | 0 | 0 | 0 | 114.1 | T27 I28 L29 I156 | T27-H31 PolarHBondContact O-ND1 3.38Å; I28-H31 PolarHBondContact O-N 2.85Å; I28-H31 VanDerWaalsContact O-N 3.15Å; L29-H31 PolarHBondContact O-N 3.06Å; H31-I156 HydrophobicContact CB-CD1 3.39Å; H31-I156 HydrophobicContact CB-CG2 4.1Å |
| 32 | R | 97.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 21.2 | -179.6 | -66.3 | -66.1 | -177.8 | -82.5 | -4.7 | 112.4 | I28 L29 L30 F99 E117 P184 Y185 | I28-R32 HydrophobicContact CG2-CG 4.41Å; I28-R32 WeakPolarHBondContact O-CB 3.35Å; I28-R32 WeakPolarHBondContact O-CG 3.39Å; I28-R32 PolarHBondContact O-N 3.31Å; I28-R32 VanDerWaalsContact O-N 3.12Å; L29-R32 CarbonylContact O-C 3.59Å; L29-R32 PolarHBondContact O-N 3.12Å; L29-R32 VanDerWaalsContact O-N 3.08Å; L30-R32 VanDerWaalsContact C-N 3.34Å; R32-F99 HydrophobicContact CB-CD1 4.35Å; R32-F99 HydrophobicContact CB-CE1 3.55Å; R32-F99 HydrophobicContact CB-CE2 4.09Å; R32-F99 HydrophobicContact CB-CZ 3.39Å; R32-F99 HydrophobicContact CG-CD2 4.37Å; R32-F99 HydrophobicContact CG-CE1 4.1Å; R32-F99 HydrophobicContact CG-CE2 3.72Å; R32-F99 HydrophobicContact CG-CZ 3.56Å; R32-E117 IonicContact CZ-OE1 3.53Å; R32-E117 IonicContact CZ-OE2 3.55Å; R32-E117 VanDerWaalsContact CZ-OE2 3.29Å; R32-E117 IonicContact NE-OE1 3.15Å; R32-E117 IonicContact NE-OE2 3.57Å; R32-E117 PolarHBondContact NE-OE2 2.79Å; R32-E117 VanDerWaalsContact NH2-CD 3.31Å; R32-E117 IonicContact NH2-OE1 3.43Å; R32-E117 PolarHBondContact NH2-OE1 2.74Å; R32-E117 IonicContact NH2-OE2 2.78Å; R32-E117 PolarHBondContact NH2-OE2 2.64Å; R32-P184 WeakPolarHBondContact O-CA 3.45Å; R32-Y185 HydrophobicContact CB-CD2 4.15Å; R32-Y185 WeakPolarHBondContact O-CD2 3.4Å; R32-Y185 PolarHBondContact O-N 3.19Å |
| 33 | S | 97.8 | Very high | 95.8 | Very high | 21 Ų | 21 | 45.8 Ų | 45.8 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 151 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | L29 V182 P184 | L29-S33 WeakPolarHBondContact O-CB 3.31Å; L29-S33 PolarHBondContact O-N 3.4Å; L29-S33 PolarHBondContact O-OG 2.9Å; S33-V182 VanDerWaalsContact CB-CG2 3.46Å; S33-P184 WeakPolarHBondContact OG-CB 3.35Å |
| 34 | T | 97.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 22% | 0.221 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 172.6 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 110 | F37 I47 F175 Q183 | T34-F37 HydrophobicContact CG2-CD2 4.41Å; T34-F37 HydrophobicContact CG2-CE2 3.6Å; T34-F37 HydrophobicContact CG2-CZ 4.41Å; T34-I47 WeakPolarHBondContact OG1-CG2 3.34Å; T34-F175 HydrophobicContact CG2-CD1 4.25Å; T34-F175 HydrophobicContact CG2-CE1 3.78Å; T34-F175 HydrophobicContact CG2-CZ 4.22Å; T34-Q183 WeakPolarHBondContact CG2-O 3.4Å; T34-Q183 PolarHBondContact N-O 3.48Å; T34-Q183 VanDerWaalsContact N-O 3.09Å; T34-Q183 PolarHBondContact O-N 3.32Å |
| 35 | G | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 162.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F37 G48 | G35-F37 PolarHBondContact O-N 3.04Å; G35-G48 WeakPolarHBondContact CA-O 3.42Å |
| 36 | K | 97.6 | Very high | 95.1 | Very high | 47 Ų | 47 | 56.8 Ų | 56.8 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 137 | 179.6 | -64.5 | -165.3 | 68.6 | 71.9 | 0 | 111.4 | H38 G48 T177 L179 K180 Q183 | K36-H38 PolarHBondContact O-CD2 3.22Å; K36-G48 PolarHBondContact O-N 2.87Å; K36-T177 PolarHBondContact NZ-O 3.5Å; K36-L179 PolarHBondContact NZ-O 3.42Å; K36-K180 WeakPolarHBondContact CD-O 3.09Å; K36-Q183 HydrophobicContact CG-CB 4.43Å |
| 37 | F | 96.8 | Very high | 95.1 | Very high | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 132.2 | 174.7 | -75 | -110.2 | 0 | 0 | 0 | 110 | T34 G35 Y39 Y45 I47 M165 F175 | T34-F37 HydrophobicContact CG2-CD2 4.41Å; T34-F37 HydrophobicContact CG2-CE2 3.6Å; T34-F37 HydrophobicContact CG2-CZ 4.41Å; G35-F37 PolarHBondContact O-N 3.04Å; F37-Y39 HydrophobicContact CB-CD2 4.05Å; F37-Y39 HydrophobicContact CB-CE2 3.52Å; F37-Y39 HydrophobicContact CD1-CE2 4.08Å; F37-Y39 AromaticContact CD1-CZ 3.83Å; F37-Y39 HydrophobicContact CG-CE2 4.12Å; F37-Y45 AromaticContact CD1-CD2 3.64Å; F37-Y45 HydrophobicContact CD1-CD2 3.64Å; F37-Y45 HydrophobicContact CD1-CE2 4.01Å; F37-Y45 AromaticContact CD1-CG 3.95Å; F37-Y45 HydrophobicContact CD1-CG 3.95Å; F37-Y45 AromaticContact CE1-CD2 3.81Å; F37-Y45 HydrophobicContact CE1-CD2 3.81Å; F37-Y45 AromaticContact CE1-CE2 3.66Å; F37-Y45 HydrophobicContact CE1-CE2 3.66Å; F37-Y45 HydrophobicContact CE1-CG 4.37Å; F37-I47 HydrophobicContact CD1-CG1 4.34Å; F37-I47 HydrophobicContact CE1-CD1 4.16Å; F37-I47 HydrophobicContact CE1-CG1 4.19Å; F37-I47 HydrophobicContact CZ-CD1 4.12Å; F37-I47 HydrophobicContact CZ-CG1 4.42Å; F37-M165 HydrophobicContact CE1-SD 4.3Å; F37-M165 HydrophobicContact CZ-SD 3.89Å; F37-F175 HydrophobicContact CE2-CD2 4.14Å; F37-F175 AromaticContact CE2-CE2 3.81Å; F37-F175 HydrophobicContact CE2-CE2 3.81Å; F37-F175 HydrophobicContact CE2-CZ 4.05Å; F37-F175 AromaticContact CZ-CE2 3.9Å; F37-F175 HydrophobicContact CZ-CE2 3.9Å; F37-F175 HydrophobicContact CZ-CZ 4.18Å |
| 38 | H | 96.3 | Very high | 95 | Very high | 108 Ų | 108 | 61.2 Ų | 61.2 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 95.7 | 172.4 | -60.9 | -79.8 | 0 | 0 | 0 | 109 | K36 Y45 S46 | K36-H38 PolarHBondContact O-CD2 3.22Å; H38-Y45 VanDerWaalsContact O-CA 3.3Å; H38-Y45 WeakPolarHBondContact O-CA 3.4Å; H38-S46 PolarHBondContact N-O 3.26Å; H38-S46 PolarHBondContact O-N 3.35Å; H38-S46 VanDerWaalsContact O-N 3.11Å |
| 39 | Y | 95.1 | Very high | 94.9 | Very high | 38 Ų | 38 | 67.7 Ų | 67.7 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 142.3 | -179.8 | -68.7 | -89.3 | 0 | 0 | 0 | 111.9 | F37 Y45 P166 Q168 V171 | F37-Y39 HydrophobicContact CB-CD2 4.05Å; F37-Y39 HydrophobicContact CB-CE2 3.52Å; F37-Y39 HydrophobicContact CD1-CE2 4.08Å; F37-Y39 AromaticContact CD1-CZ 3.83Å; F37-Y39 HydrophobicContact CG-CE2 4.12Å; Y39-Y45 HydrophobicContact CD1-CD1 4.21Å; Y39-Y45 HydrophobicContact CD1-CG 4.39Å; Y39-Y45 AromaticContact CE1-CD1 3.76Å; Y39-Y45 HydrophobicContact CE1-CD1 3.76Å; Y39-Y45 HydrophobicContact CE1-CG 4.14Å; Y39-P166 PolarHBondContact OH-O 3.02Å; Y39-Q168 HydrophobicContact CD1-CB 3.82Å; Y39-Q168 HydrophobicContact CD2-CB 3.97Å; Y39-Q168 HydrophobicContact CD2-CG 3.95Å; Y39-Q168 HydrophobicContact CE1-CB 4.33Å; Y39-Q168 HydrophobicContact CE2-CB 4.46Å; Y39-Q168 HydrophobicContact CG-CB 3.62Å; Y39-Q168 HydrophobicContact CG-CG 3.88Å; Y39-V171 HydrophobicContact CE2-CB 4.07Å; Y39-V171 HydrophobicContact CE2-CG1 4.45Å; Y39-V171 HydrophobicContact CE2-CG2 4.09Å |
| 40 | K | 93.2 | Very high | 94.9 | Very high | 126 Ų | 126 | 69.7 Ų | 69.7 | 55% | 0.548 | 37% | 0.368 | S | S | . | . | trans | -103.5 | 160.6 | 170.6 | -61 | -178.3 | -179.1 | 178.1 | 0 | 109.8 | E42 G43 T44 | K40-E42 PolarHBondContact O-N 3.15Å; K40-G43 PolarHBondContact O-N 2.85Å; K40-T44 PolarHBondContact N-O 2.96Å | ||
| 41 | K | 84.9 | Confident | 94.8 | Very high | 214 Ų | 214 | 69.3 Ų | 69.3 | 93% | 0.93 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.6 | -177 | -70.1 | -174.5 | 177.3 | -179 | 0 | 114.2 | G43 | K41-G43 VanDerWaalsContact C-N 3.25Å; K41-G43 PolarHBondContact O-N 3.25Å |
| 42 | E | 86.3 | Confident | 94.9 | Very high | 164 Ų | 164 | 70 Ų | 70 | 77% | 0.766 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 2.7 | 179.3 | -63.3 | 141.1 | -153.6 | 0 | 0 | 113.3 | K40 T44 | K40-E42 PolarHBondContact O-N 3.15Å; E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 2.84Å |
| 43 | G | 83.5 | Confident | 94.9 | Very high | 52 Ų | 52 | 73.6 Ų | 73.6 | 54% | 0.536 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 84.7 | -5.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K40 K41 | K40-G43 PolarHBondContact O-N 2.85Å; K41-G43 VanDerWaalsContact C-N 3.25Å; K41-G43 PolarHBondContact O-N 3.25Å |
| 44 | T | 91.6 | Very high | 95 | Very high | 71 Ų | 71 | 78 Ų | 78 | 44% | 0.436 | 42% | 0.423 | S | S | . | . | trans | -71.8 | 154 | 170.9 | 58.1 | 0 | 0 | 0 | 0 | 111 | K40 E42 | K40-T44 PolarHBondContact N-O 2.96Å; E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 2.84Å | ||
| 45 | Y | 95.3 | Very high | 95 | Very high | 98 Ų | 98 | 77.7 Ų | 77.7 | 38% | 0.384 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 154.7 | 177.7 | 59 | -95 | 0 | 0 | 0 | 112 | F37 H38 Y39 I47 | F37-Y45 AromaticContact CD1-CD2 3.64Å; F37-Y45 HydrophobicContact CD1-CD2 3.64Å; F37-Y45 HydrophobicContact CD1-CE2 4.01Å; F37-Y45 AromaticContact CD1-CG 3.95Å; F37-Y45 HydrophobicContact CD1-CG 3.95Å; F37-Y45 AromaticContact CE1-CD2 3.81Å; F37-Y45 HydrophobicContact CE1-CD2 3.81Å; F37-Y45 AromaticContact CE1-CE2 3.66Å; F37-Y45 HydrophobicContact CE1-CE2 3.66Å; F37-Y45 HydrophobicContact CE1-CG 4.37Å; H38-Y45 VanDerWaalsContact O-CA 3.3Å; H38-Y45 WeakPolarHBondContact O-CA 3.4Å; Y39-Y45 HydrophobicContact CD1-CD1 4.21Å; Y39-Y45 HydrophobicContact CD1-CG 4.39Å; Y39-Y45 AromaticContact CE1-CD1 3.76Å; Y39-Y45 HydrophobicContact CE1-CD1 3.76Å; Y39-Y45 HydrophobicContact CE1-CG 4.14Å; Y45-I47 HydrophobicContact CD2-CD1 4.44Å; Y45-I47 HydrophobicContact CD2-CG1 3.92Å; Y45-I47 HydrophobicContact CE2-CD1 3.97Å; Y45-I47 HydrophobicContact CE2-CG1 3.95Å |
| 46 | S | 96.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 83.2 Ų | 83.2 | 43% | 0.434 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 150.9 | 161.2 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | H38 | H38-S46 PolarHBondContact N-O 3.26Å; H38-S46 PolarHBondContact O-N 3.35Å; H38-S46 VanDerWaalsContact O-N 3.11Å |
| 47 | I | 97.1 | Very high | 95.1 | Very high | 73 Ų | 73 | 81.7 Ų | 81.7 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129.3 | 175.9 | -57.2 | 179.5 | 0 | 0 | 0 | 107.5 | T34 F37 Y45 | T34-I47 WeakPolarHBondContact OG1-CG2 3.34Å; F37-I47 HydrophobicContact CD1-CG1 4.34Å; F37-I47 HydrophobicContact CE1-CD1 4.16Å; F37-I47 HydrophobicContact CE1-CG1 4.19Å; F37-I47 HydrophobicContact CZ-CD1 4.12Å; F37-I47 HydrophobicContact CZ-CG1 4.42Å; Y45-I47 HydrophobicContact CD2-CD1 4.44Å; Y45-I47 HydrophobicContact CD2-CG1 3.92Å; Y45-I47 HydrophobicContact CE2-CD1 3.97Å; Y45-I47 HydrophobicContact CE2-CG1 3.95Å |
| 48 | G | 96.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 86.7 Ų | 86.7 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | trans | -65.3 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G35 K36 | G35-G48 WeakPolarHBondContact CA-O 3.42Å; K36-G48 PolarHBondContact O-N 2.87Å | ||
| 49 | T | 97 | Very high | 95.3 | Very high | 135 Ų | 135 | 85.2 Ų | 85.2 | 83% | 0.828 | 46% | 0.464 | S | S | * | . | trans | -87.8 | 146.4 | 174.8 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 50 | V | 97.7 | Very high | 95.4 | Very high | 43 Ų | 43 | 83.4 Ų | 83.4 | 26% | 0.261 | 46% | 0.457 | S | S | . | . | trans | -105 | 121.1 | 170.9 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | V67 | V50-V67 HydrophobicContact CG1-CB 4.34Å; V50-V67 HydrophobicContact CG1-CG1 3.52Å; V50-V67 HydrophobicContact CG1-CG2 4.03Å | ||
| 51 | G | 97.8 | Very high | 95.7 | Very high | 37 Ų | 37 | 80.7 Ų | 80.7 | 38% | 0.381 | 45% | 0.448 | S | S | . | . | trans | -78.4 | 153.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V67 S68 | G51-V67 WeakPolarHBondContact O-CA 3.22Å; G51-S68 PolarHBondContact O-N 3.45Å; G51-S68 PolarHBondContact O-OG 2.93Å | ||
| 52 | T | 98.4 | Very high | 96.4 | Very high | 87 Ų | 87 | 72.4 Ų | 72.4 | 53% | 0.534 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 153.8 | 175 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | L30 V65 R66 S68 | L30-T52 HydrophobicContact CD1-CG2 3.67Å; T52-V65 HydrophobicContact CG2-CG1 4.22Å; T52-R66 CarbonylContact C-O 3.43Å; T52-R66 VanDerWaalsContact CA-O 3.28Å; T52-R66 WeakPolarHBondContact CA-O 3.34Å; T52-S68 WeakPolarHBondContact CA-OG 3.24Å; T52-S68 PolarHBondContact N-OG 3.41Å; T52-S68 VanDerWaalsContact N-OG 3.13Å; T52-S68 PolarHBondContact O-OG 3.01Å |
| 53 | Q | 98.4 | Very high | 97 | Very high | 84 Ų | 84 | 67.9 Ų | 67.9 | 39% | 0.393 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.7 | 179.2 | -176.6 | 177.9 | 6.3 | 0 | 0 | 110.9 | I55 V65 R66 | Q53-I55 HydrophobicContact CG-CD1 3.85Å; Q53-V65 WeakPolarHBondContact O-CA 3.32Å; Q53-R66 PolarHBondContact N-O 3.31Å; Q53-R66 PolarHBondContact O-N 3.46Å |
| 54 | D | 98.7 | Very high | 97.7 | Very high | 115 Ų | 115 | 65.7 Ų | 65.7 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134.1 | 169.6 | -60.2 | -40.4 | 0 | 0 | 0 | 110.2 | T63 V65 | D54-T63 HydrophobicContact CB-CG2 3.97Å; D54-V65 WeakPolarHBondContact OD1-CG2 3.3Å |
| 55 | I | 98.7 | Very high | 98 | Very high | 28 Ų | 28 | 64.7 Ų | 64.7 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 113 | -178.9 | -52.6 | -64.4 | 0 | 0 | 0 | 108.3 | Q53 T63 F64 R66 | Q53-I55 HydrophobicContact CG-CD1 3.85Å; I55-T63 WeakPolarHBondContact O-CA 3.47Å; I55-T63 WeakPolarHBondContact O-CG2 3.15Å; I55-F64 HydrophobicContact CB-CD1 4.14Å; I55-F64 HydrophobicContact CB-CD2 4.34Å; I55-F64 HydrophobicContact CB-CE1 3.75Å; I55-F64 HydrophobicContact CB-CE2 3.95Å; I55-F64 HydrophobicContact CB-CG 4.43Å; I55-F64 HydrophobicContact CB-CZ 3.65Å; I55-F64 HydrophobicContact CG1-CE2 4.02Å; I55-F64 HydrophobicContact CG1-CZ 4.09Å; I55-F64 HydrophobicContact CG2-CD1 4.41Å; I55-F64 HydrophobicContact CG2-CE1 3.6Å; I55-F64 HydrophobicContact CG2-CE2 4.35Å; I55-F64 HydrophobicContact CG2-CZ 3.57Å; I55-F64 PolarHBondContact N-O 3.2Å; I55-F64 PolarHBondContact O-N 3.07Å; I55-R66 HydrophobicContact CD1-CG 4.29Å; I55-R66 HydrophobicContact CG1-CG 3.81Å |
| 56 | D | 98.8 | Very high | 98.2 | Very high | 117 Ų | 117 | 60.4 Ų | 60.4 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 137.6 | 173.6 | -63.7 | -34.4 | 0 | 0 | 0 | 110 | T63 | D56-T63 WeakPolarHBondContact OD1-CB 3.4Å; D56-T63 WeakPolarHBondContact OD1-CG2 3.43Å; D56-T63 PolarHBondContact OD1-OG1 2.82Å |
| 57 | C | 98.7 | Very high | 98.3 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | trans | -84.6 | 138.7 | 171.4 | -65.5 | 0 | 0 | 0 | 0 | 110 | E19 I60 F62 | E19-C57 HydrophobicContact CB-CB 4.33Å; E19-C57 HydrophobicContact CG-CB 4.36Å; E19-C57 WeakPolarHBondContact OE2-CB 3.43Å; C57-I60 HydrophobicContact CB-CB 3.93Å; C57-I60 VanDerWaalsContact CB-O 3.22Å; C57-I60 WeakPolarHBondContact CB-O 3.3Å; C57-F62 VanDerWaalsContact CB-O 3.3Å; C57-F62 WeakPolarHBondContact CB-O 3.36Å; C57-F62 PolarHBondContact N-O 3.37Å; C57-F62 PolarHBondContact SG-O 2.88Å | ||
| 58 | D | 98.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 56.3 Ų | 56.3 | 66% | 0.658 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -83.8 | -31.6 | 177.2 | -68.3 | -36.6 | 0 | 0 | 0 | 111.7 | E19 | E19-D58 WeakPolarHBondContact OE1-CA 3.45Å; E19-D58 WeakPolarHBondContact OE1-CB 3.31Å; E19-D58 PolarHBondContact OE1-N 2.96Å |
| 59 | F | 98.1 | Very high | 98.4 | Very high | 77 Ų | 77 | 55 Ų | 55 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -110.1 | -0.7 | -175.4 | -53.6 | -68.3 | 0 | 0 | 0 | 114 | R15 Q16 E19 R138 | R15-F59 HydrophobicContact CB-CD1 4.47Å; R15-F59 HydrophobicContact CB-CG 4.36Å; R15-F59 HydrophobicContact CG-CB 4.21Å; R15-F59 HydrophobicContact CG-CD1 4.13Å; R15-F59 HydrophobicContact CG-CG 4.13Å; Q16-F59 HydrophobicContact CG-CB 3.97Å; Q16-F59 WeakPolarHBondContact CG-O 3.5Å; Q16-F59 PolarHBondContact NE2-O 2.72Å; E19-F59 PolarHBondContact OE1-N 2.9Å; E19-F59 WeakPolarHBondContact OE2-CA 3.34Å; E19-F59 VanDerWaalsContact OE2-CB 3.31Å; E19-F59 WeakPolarHBondContact OE2-CB 3.49Å; E19-F59 PolarHBondContact OE2-N 3.32Å; F59-R138 WeakPolarHBondContact O-CG 3.43Å |
| 60 | I | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -134 | 140 | 178.3 | -52.9 | 172.7 | 0 | 0 | 0 | 107.4 | Q16 E19 A20 C57 F62 V141 L145 | Q16-I60 HydrophobicContact CB-CD1 3.97Å; Q16-I60 HydrophobicContact CB-CG1 3.87Å; Q16-I60 HydrophobicContact CG-CD1 4.45Å; Q16-I60 HydrophobicContact CG-CG1 3.79Å; E19-I60 HydrophobicContact CB-CD1 3.74Å; E19-I60 HydrophobicContact CB-CG1 4.39Å; E19-I60 PolarHBondContact OE2-N 3.14Å; A20-I60 HydrophobicContact CB-CD1 3.99Å; C57-I60 HydrophobicContact CB-CB 3.93Å; C57-I60 VanDerWaalsContact CB-O 3.22Å; C57-I60 WeakPolarHBondContact CB-O 3.3Å; I60-F62 HydrophobicContact CB-CB 4.43Å; I60-F62 HydrophobicContact CG2-CB 3.81Å; I60-F62 PolarHBondContact O-N 3.28Å; I60-V141 HydrophobicContact CD1-CG1 3.85Å; I60-V141 HydrophobicContact CG1-CG1 4.08Å; I60-V141 HydrophobicContact CG2-CB 4.1Å; I60-V141 HydrophobicContact CG2-CG1 3.75Å; I60-L145 HydrophobicContact CD1-CD1 3.86Å; I60-L145 HydrophobicContact CG2-CD1 4.07Å |
| 61 | D | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -80.4 | 71.9 | 176.7 | -66.2 | -5.9 | 0 | 0 | 0 | 109.2 | R138 E139 | D61-R138 PolarHBondContact N-O 3.31Å; D61-R138 IonicContact OD1-CZ 2.82Å; D61-R138 VanDerWaalsContact OD1-CZ 3.23Å; D61-R138 IonicContact OD1-NE 3.99Å; D61-R138 PolarHBondContact OD1-NE 2.98Å; D61-R138 IonicContact OD1-NH2 3.71Å; D61-R138 PolarHBondContact OD1-NH2 3.37Å; D61-E139 WeakPolarHBondContact OD2-CG 3.34Å |
| 62 | F | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 18% | 0.18 | 28% | 0.279 | C | S | . | . | trans | -154.4 | 149.6 | -173 | -163.8 | -109.8 | 0 | 0 | 0 | 111.7 | A23 C57 I60 F64 G142 L145 V149 | A23-F62 HydrophobicContact CB-CD1 4.31Å; A23-F62 HydrophobicContact CB-CE1 4.15Å; C57-F62 VanDerWaalsContact CB-O 3.3Å; C57-F62 WeakPolarHBondContact CB-O 3.36Å; C57-F62 PolarHBondContact N-O 3.37Å; C57-F62 PolarHBondContact SG-O 2.88Å; I60-F62 HydrophobicContact CB-CB 4.43Å; I60-F62 HydrophobicContact CG2-CB 3.81Å; I60-F62 PolarHBondContact O-N 3.28Å; F62-F64 HydrophobicContact CD1-CB 4.36Å; F62-F64 HydrophobicContact CE1-CB 3.95Å; F62-G142 WeakPolarHBondContact CD2-O 3.41Å; F62-L145 HydrophobicContact CB-CD1 4.38Å; F62-L145 HydrophobicContact CD1-CB 3.99Å; F62-L145 HydrophobicContact CD1-CD1 3.85Å; F62-L145 HydrophobicContact CD2-CB 4.04Å; F62-L145 HydrophobicContact CE1-CB 3.92Å; F62-L145 HydrophobicContact CE1-CD1 4.37Å; F62-L145 HydrophobicContact CE2-CB 3.99Å; F62-L145 HydrophobicContact CG-CB 4.05Å; F62-L145 HydrophobicContact CG-CD1 4.14Å; F62-L145 HydrophobicContact CZ-CB 3.93Å; F62-V149 HydrophobicContact CE1-CG2 4.41Å; F62-V149 HydrophobicContact CZ-CG2 3.97Å | ||
| 63 | T | 98.8 | Very high | 98.5 | Very high | 68 Ų | 68 | 49 Ų | 49 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.2 | 172.2 | -54.3 | 0 | 0 | 0 | 0 | 107.6 | D54 I55 D56 | D54-T63 HydrophobicContact CB-CG2 3.97Å; I55-T63 WeakPolarHBondContact O-CA 3.47Å; I55-T63 WeakPolarHBondContact O-CG2 3.15Å; D56-T63 WeakPolarHBondContact OD1-CB 3.4Å; D56-T63 WeakPolarHBondContact OD1-CG2 3.43Å; D56-T63 PolarHBondContact OD1-OG1 2.82Å |
| 64 | F | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.6 | 176.3 | 69.6 | -88.5 | 0 | 0 | 0 | 111.7 | L22 A23 H26 I55 F62 R66 | L22-F64 HydrophobicContact CB-CZ 4.1Å; A23-F64 HydrophobicContact CB-CB 3.87Å; A23-F64 HydrophobicContact CB-CD1 3.76Å; A23-F64 HydrophobicContact CB-CE1 4.43Å; A23-F64 HydrophobicContact CB-CG 3.83Å; H26-F64 HydrophobicContact CB-CD2 4.05Å; H26-F64 HydrophobicContact CB-CE2 3.95Å; H26-F64 AromaticContact CD2-CE2 3.63Å; I55-F64 HydrophobicContact CB-CD1 4.14Å; I55-F64 HydrophobicContact CB-CD2 4.34Å; I55-F64 HydrophobicContact CB-CE1 3.75Å; I55-F64 HydrophobicContact CB-CE2 3.95Å; I55-F64 HydrophobicContact CB-CG 4.43Å; I55-F64 HydrophobicContact CB-CZ 3.65Å; I55-F64 HydrophobicContact CG1-CE2 4.02Å; I55-F64 HydrophobicContact CG1-CZ 4.09Å; I55-F64 HydrophobicContact CG2-CD1 4.41Å; I55-F64 HydrophobicContact CG2-CE1 3.6Å; I55-F64 HydrophobicContact CG2-CE2 4.35Å; I55-F64 HydrophobicContact CG2-CZ 3.57Å; I55-F64 PolarHBondContact N-O 3.2Å; I55-F64 PolarHBondContact O-N 3.07Å; F62-F64 HydrophobicContact CD1-CB 4.36Å; F62-F64 HydrophobicContact CE1-CB 3.95Å; F64-R66 HydrophobicContact CD2-CB 4.5Å; F64-R66 HydrophobicContact CE2-CB 4.2Å |
| 65 | V | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 30% | 0.297 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.5 | 175.8 | -171.6 | 0 | 0 | 0 | 0 | 109.4 | L30 T52 Q53 D54 | L30-V65 HydrophobicContact CD2-CB 4.22Å; L30-V65 HydrophobicContact CD2-CG1 4.08Å; T52-V65 HydrophobicContact CG2-CG1 4.22Å; Q53-V65 WeakPolarHBondContact O-CA 3.32Å; D54-V65 WeakPolarHBondContact OD1-CG2 3.3Å |
| 66 | R | 98.4 | Very high | 98.4 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 164.1 | 169.4 | 67.7 | 171.8 | -178.8 | 92.7 | -10.9 | 111.9 | H26 T52 Q53 I55 F64 E70 | H26-R66 HydrophobicContact CB-CB 3.76Å; T52-R66 CarbonylContact C-O 3.43Å; T52-R66 VanDerWaalsContact CA-O 3.28Å; T52-R66 WeakPolarHBondContact CA-O 3.34Å; Q53-R66 PolarHBondContact N-O 3.31Å; Q53-R66 PolarHBondContact O-N 3.46Å; I55-R66 HydrophobicContact CD1-CG 4.29Å; I55-R66 HydrophobicContact CG1-CG 3.81Å; F64-R66 HydrophobicContact CD2-CB 4.5Å; F64-R66 HydrophobicContact CE2-CB 4.2Å; R66-E70 IonicContact CZ-OE1 2.75Å; R66-E70 IonicContact NH1-OE1 2.76Å; R66-E70 PolarHBondContact NH1-OE1 3.02Å; R66-E70 IonicContact NH2-OE1 2.76Å; R66-E70 PolarHBondContact NH2-OE1 3.43Å |
| 67 | V | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 137.6 | 166.3 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | L30 V50 G51 S69 L72 V182 | L30-V67 HydrophobicContact CD1-CG2 3.92Å; V50-V67 HydrophobicContact CG1-CB 4.34Å; V50-V67 HydrophobicContact CG1-CG1 3.52Å; V50-V67 HydrophobicContact CG1-CG2 4.03Å; G51-V67 WeakPolarHBondContact O-CA 3.22Å; V67-S69 PolarHBondContact O-N 3.43Å; V67-L72 HydrophobicContact CB-CD2 4.46Å; V67-V182 HydrophobicContact CG1-CB 3.85Å; V67-V182 HydrophobicContact CG1-CG1 4.3Å; V67-V182 HydrophobicContact CG1-CG2 3.78Å |
| 68 | S | 98.3 | Very high | 98.3 | Very high | 46 Ų | 46 | 53 Ų | 53 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -72.4 | 65.5 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | G51 T52 | G51-S68 PolarHBondContact O-N 3.45Å; G51-S68 PolarHBondContact O-OG 2.93Å; T52-S68 WeakPolarHBondContact CA-OG 3.24Å; T52-S68 PolarHBondContact N-OG 3.41Å; T52-S68 VanDerWaalsContact N-OG 3.13Å; T52-S68 PolarHBondContact O-OG 3.01Å |
| 69 | S | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | trans | -136.4 | 110.6 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | V67 E71 L72 D73 | V67-S69 PolarHBondContact O-N 3.43Å; S69-E71 VanDerWaalsContact C-N 3.28Å; S69-E71 PolarHBondContact O-N 3.46Å; S69-L72 PolarHBondContact O-N 3.47Å; S69-D73 PolarHBondContact O-N 3.35Å | ||
| 70 | E | 97.9 | Very high | 98.3 | Very high | 118 Ų | 118 | 43.9 Ų | 43.9 | 55% | 0.551 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.6 | -32 | 178.9 | -63.6 | -56.4 | 117.7 | 0 | 0 | 112.1 | R66 R74 | R66-E70 IonicContact CZ-OE1 2.75Å; R66-E70 IonicContact NH1-OE1 2.76Å; R66-E70 PolarHBondContact NH1-OE1 3.02Å; R66-E70 IonicContact NH2-OE1 2.76Å; R66-E70 PolarHBondContact NH2-OE1 3.43Å; E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 3.39Å; E70-R74 PolarHBondContact O-N 3.04Å |
| 71 | E | 97.8 | Very high | 98.2 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 23% | 0.229 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 176.8 | -66.7 | -179.5 | 172.4 | 0 | 0 | 111.2 | S69 V75 L179 K180 | S69-E71 VanDerWaalsContact C-N 3.28Å; S69-E71 PolarHBondContact O-N 3.46Å; E71-V75 VanDerWaalsContact O-CG2 3.29Å; E71-V75 WeakPolarHBondContact O-CG2 3.5Å; E71-V75 PolarHBondContact O-N 3.45Å; E71-L179 HydrophobicContact CB-CD2 3.86Å; E71-K180 WeakPolarHBondContact OE1-CE 3.27Å; E71-K180 IonicContact OE1-NZ 2.85Å; E71-K180 PolarHBondContact OE1-NZ 2.75Å; E71-K180 PolarHBondContact OE2-N 3.06Å |
| 72 | L | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.5 | -51.8 | 174.6 | -177.8 | 57.9 | 0 | 0 | 0 | 110.5 | L29 V67 S69 R74 V75 I76 L179 V182 Y187 | L29-L72 HydrophobicContact CD1-CD1 4.3Å; V67-L72 HydrophobicContact CB-CD2 4.46Å; S69-L72 PolarHBondContact O-N 3.47Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 2.96Å; L72-V75 WeakPolarHBondContact O-CB 3.48Å; L72-V75 PolarHBondContact O-N 3Å; L72-I76 HydrophobicContact CD1-CD1 4.15Å; L72-I76 HydrophobicContact CD1-CG1 4.29Å; L72-I76 HydrophobicContact CG-CG1 4.44Å; L72-I76 WeakPolarHBondContact O-CG1 3.36Å; L72-I76 PolarHBondContact O-N 2.89Å; L72-I76 VanDerWaalsContact O-N 3.08Å; L72-L179 HydrophobicContact CB-CD1 4.06Å; L72-L179 HydrophobicContact CD1-CD1 4.18Å; L72-V182 HydrophobicContact CB-CG1 4.39Å; L72-V182 HydrophobicContact CD2-CG1 4.21Å; L72-Y187 HydrophobicContact CD1-CE1 4.22Å; L72-Y187 VanDerWaalsContact CD1-OH 3.3Å; L72-Y187 WeakPolarHBondContact CD1-OH 3.03Å |
| 73 | D | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.5 | -44.6 | -178.9 | -173.9 | 49.4 | 0 | 0 | 0 | 112.2 | H26 S69 V75 I76 R77 | H26-D73 IonicContact CD2-OD1 3.29Å; H26-D73 IonicContact CE1-OD1 3.3Å; H26-D73 PolarHBondContact CE1-OD1 2.96Å; H26-D73 IonicContact NE2-OD1 3.99Å; H26-D73 PolarHBondContact NE2-OD1 3.12Å; S69-D73 PolarHBondContact O-N 3.35Å; D73-V75 VanDerWaalsContact C-N 3.29Å; D73-V75 PolarHBondContact O-N 3.02Å; D73-I76 PolarHBondContact O-N 3.44Å; D73-R77 WeakPolarHBondContact O-CB 3.32Å; D73-R77 WeakPolarHBondContact O-CG 3.28Å; D73-R77 PolarHBondContact O-N 3.35Å; D73-R77 IonicContact OD1-CZ 3.01Å; D73-R77 IonicContact OD1-NE 2.69Å; D73-R77 PolarHBondContact OD1-NE 2.92Å; D73-R77 IonicContact OD1-NH2 3.56Å; D73-R77 WeakPolarHBondContact OD2-CD 3.31Å; D73-R77 IonicContact OD2-CZ 3.36Å; D73-R77 IonicContact OD2-NE 3.92Å; D73-R77 PolarHBondContact OD2-NE 3.33Å; D73-R77 IonicContact OD2-NH2 2.71Å |
| 74 | R | 98.3 | Very high | 97.8 | Very high | 176 Ų | 176 | 43.3 Ų | 43.3 | 66% | 0.664 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -59.2 | -38.2 | 176.3 | -174.3 | 180 | 62.9 | 164.2 | -2.1 | 113.1 | E70 L72 K78 | E70-R74 VanDerWaalsContact O-CB 3.27Å; E70-R74 WeakPolarHBondContact O-CB 3.39Å; E70-R74 PolarHBondContact O-N 3.04Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 2.96Å; R74-K78 VanDerWaalsContact O-CB 3.29Å; R74-K78 WeakPolarHBondContact O-CB 3.34Å; R74-K78 PolarHBondContact O-N 2.95Å |
| 75 | V | 97.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 33% | 0.327 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.2 | -43.6 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | E71 L72 D73 A79 Y187 | E71-V75 VanDerWaalsContact O-CG2 3.29Å; E71-V75 WeakPolarHBondContact O-CG2 3.5Å; E71-V75 PolarHBondContact O-N 3.45Å; L72-V75 WeakPolarHBondContact O-CB 3.48Å; L72-V75 PolarHBondContact O-N 3Å; D73-V75 VanDerWaalsContact C-N 3.29Å; D73-V75 PolarHBondContact O-N 3.02Å; V75-A79 PolarHBondContact O-N 2.82Å; V75-Y187 WeakPolarHBondContact CG1-OH 3.23Å |
| 76 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -48.8 | -180 | -51.3 | -47.8 | 0 | 0 | 0 | 110.5 | L22 L25 L29 L72 D73 K78 A79 V80 Y187 I189 | L22-I76 HydrophobicContact CD2-CB 4.39Å; L22-I76 HydrophobicContact CD2-CG2 3.84Å; L25-I76 HydrophobicContact CB-CG2 3.91Å; L25-I76 HydrophobicContact CD1-CG2 3.79Å; L25-I76 HydrophobicContact CG-CG2 4.5Å; L29-I76 HydrophobicContact CD1-CD1 3.35Å; L29-I76 HydrophobicContact CD1-CG1 3.64Å; L72-I76 HydrophobicContact CD1-CD1 4.15Å; L72-I76 HydrophobicContact CD1-CG1 4.29Å; L72-I76 HydrophobicContact CG-CG1 4.44Å; L72-I76 WeakPolarHBondContact O-CG1 3.36Å; L72-I76 PolarHBondContact O-N 2.89Å; L72-I76 VanDerWaalsContact O-N 3.08Å; D73-I76 PolarHBondContact O-N 3.44Å; I76-K78 VanDerWaalsContact C-N 3.3Å; I76-K78 PolarHBondContact O-N 2.95Å; I76-A79 PolarHBondContact O-N 3.27Å; I76-A79 VanDerWaalsContact O-N 3.15Å; I76-V80 HydrophobicContact CG2-CG2 4.26Å; I76-V80 WeakPolarHBondContact O-CG2 3.33Å; I76-V80 PolarHBondContact O-N 3.13Å; I76-Y187 HydrophobicContact CD1-CE2 4.09Å; I76-I189 HydrophobicContact CD1-CD1 3.48Å; I76-I189 VanDerWaalsContact CD1-CD1 3.48Å |
| 77 | R | 98.6 | Very high | 97 | Very high | 87 Ų | 87 | 49.3 Ų | 49.3 | 33% | 0.328 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.9 | -42.2 | 177.2 | -73.9 | -176.4 | -177.6 | -81.8 | -3.1 | 112.7 | L22 D73 V80 S81 | L22-R77 HydrophobicContact CD1-CG 4.1Å; L22-R77 VanDerWaalsContact CD1-NH1 3.34Å; L22-R77 HydrophobicContact CD2-CG 3.71Å; D73-R77 WeakPolarHBondContact O-CB 3.32Å; D73-R77 WeakPolarHBondContact O-CG 3.28Å; D73-R77 PolarHBondContact O-N 3.35Å; D73-R77 IonicContact OD1-CZ 3.01Å; D73-R77 IonicContact OD1-NE 2.69Å; D73-R77 PolarHBondContact OD1-NE 2.92Å; D73-R77 IonicContact OD1-NH2 3.56Å; D73-R77 WeakPolarHBondContact OD2-CD 3.31Å; D73-R77 IonicContact OD2-CZ 3.36Å; D73-R77 IonicContact OD2-NE 3.92Å; D73-R77 PolarHBondContact OD2-NE 3.33Å; D73-R77 IonicContact OD2-NH2 2.71Å; R77-V80 PolarHBondContact O-N 2.92Å; R77-S81 WeakPolarHBondContact O-CB 3.2Å; R77-S81 PolarHBondContact O-N 2.68Å |
| 78 | K | 98.2 | Very high | 96.3 | Very high | 125 Ų | 125 | 51.9 Ų | 51.9 | 54% | 0.543 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.8 | -51.5 | 176 | -178.4 | 179.6 | 171 | -177.6 | 0 | 111.1 | R74 I76 V80 S81 E82 | R74-K78 VanDerWaalsContact O-CB 3.29Å; R74-K78 WeakPolarHBondContact O-CB 3.34Å; R74-K78 PolarHBondContact O-N 2.95Å; I76-K78 VanDerWaalsContact C-N 3.3Å; I76-K78 PolarHBondContact O-N 2.95Å; K78-V80 VanDerWaalsContact C-N 3.32Å; K78-V80 PolarHBondContact O-N 2.94Å; K78-S81 PolarHBondContact O-N 3.35Å; K78-E82 WeakPolarHBondContact CE-OE1 3.43Å; K78-E82 IonicContact NZ-OE1 2.63Å; K78-E82 WeakPolarHBondContact O-CG 3.38Å; K78-E82 PolarHBondContact O-N 3.46Å |
| 79 | A | 97.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V75 I76 F83 I189 | V75-A79 PolarHBondContact O-N 2.82Å; I76-A79 PolarHBondContact O-N 3.27Å; I76-A79 VanDerWaalsContact O-N 3.15Å; A79-F83 WeakPolarHBondContact O-CB 3.46Å; A79-F83 PolarHBondContact O-N 2.89Å; A79-I189 HydrophobicContact CB-CB 4.34Å; A79-I189 HydrophobicContact CB-CD1 4.3Å; A79-I189 HydrophobicContact CB-CG2 3.85Å |
| 80 | V | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69 | -41 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | E18 M21 L22 L25 I76 R77 K78 F83 K84 I95 | E18-V80 HydrophobicContact CB-CG1 4.3Å; E18-V80 HydrophobicContact CG-CG1 3.88Å; M21-V80 HydrophobicContact CB-CG1 3.75Å; M21-V80 HydrophobicContact CB-CG2 3.9Å; M21-V80 HydrophobicContact CG-CG1 4.33Å; L22-V80 HydrophobicContact CD2-CG2 4.16Å; L22-V80 HydrophobicContact CG-CG1 4.49Å; L22-V80 HydrophobicContact CG-CG2 4.42Å; L25-V80 HydrophobicContact CD1-CG2 3.62Å; I76-V80 HydrophobicContact CG2-CG2 4.26Å; I76-V80 WeakPolarHBondContact O-CG2 3.33Å; I76-V80 PolarHBondContact O-N 3.13Å; R77-V80 PolarHBondContact O-N 2.92Å; K78-V80 VanDerWaalsContact C-N 3.32Å; K78-V80 PolarHBondContact O-N 2.94Å; V80-F83 WeakPolarHBondContact O-CB 3.3Å; V80-F83 PolarHBondContact O-N 3.34Å; V80-K84 WeakPolarHBondContact O-CB 3.24Å; V80-K84 PolarHBondContact O-N 3.15Å; V80-I95 HydrophobicContact CG2-CD1 4.19Å |
| 81 | S | 97.3 | Very high | 93.9 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 175.7 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | R77 K78 F83 K84 D85 | R77-S81 WeakPolarHBondContact O-CB 3.2Å; R77-S81 PolarHBondContact O-N 2.68Å; K78-S81 PolarHBondContact O-N 3.35Å; S81-F83 VanDerWaalsContact C-N 3.26Å; S81-F83 PolarHBondContact O-N 3.09Å; S81-K84 PolarHBondContact O-N 2.82Å; S81-D85 WeakPolarHBondContact O-CB 3.42Å; S81-D85 PolarHBondContact O-N 3.32Å |
| 82 | E | 96.2 | Very high | 93.8 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 25% | 0.248 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 178.1 | -70.8 | 163.5 | 149.1 | 0 | 0 | 111.8 | K78 A86 Y191 M205 | K78-E82 WeakPolarHBondContact CE-OE1 3.43Å; K78-E82 IonicContact NZ-OE1 2.63Å; K78-E82 WeakPolarHBondContact O-CG 3.38Å; K78-E82 PolarHBondContact O-N 3.46Å; E82-A86 WeakPolarHBondContact O-CB 3.23Å; E82-A86 PolarHBondContact O-N 3.38Å; E82-Y191 HydrophobicContact CB-CE1 4.27Å; E82-M205 HydrophobicContact CB-CE 3.98Å; E82-M205 HydrophobicContact CG-CE 4.18Å; E82-M205 WeakPolarHBondContact OE2-CE 3.34Å |
| 83 | F | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 172.7 | 168.8 | -117.9 | 0 | 0 | 0 | 112.7 | V17 M21 A79 V80 S81 A86 L87 I95 V123 Y191 I193 | V17-F83 HydrophobicContact CG1-CD1 4.49Å; V17-F83 HydrophobicContact CG1-CE1 4.24Å; M21-F83 HydrophobicContact CG-CD1 4.26Å; M21-F83 HydrophobicContact CG-CE1 4.09Å; M21-F83 HydrophobicContact SD-CE1 4.13Å; A79-F83 WeakPolarHBondContact O-CB 3.46Å; A79-F83 PolarHBondContact O-N 2.89Å; V80-F83 WeakPolarHBondContact O-CB 3.3Å; V80-F83 PolarHBondContact O-N 3.34Å; S81-F83 VanDerWaalsContact C-N 3.26Å; S81-F83 PolarHBondContact O-N 3.09Å; F83-A86 PolarHBondContact O-N 2.89Å; F83-L87 HydrophobicContact CZ-CD2 4.43Å; F83-L87 PolarHBondContact O-N 3.38Å; F83-I95 HydrophobicContact CB-CD1 4.42Å; F83-V123 HydrophobicContact CE1-CG1 3.81Å; F83-V123 HydrophobicContact CZ-CG1 3.5Å; F83-Y191 HydrophobicContact CB-CD1 4.01Å; F83-Y191 HydrophobicContact CB-CD2 4.48Å; F83-Y191 HydrophobicContact CB-CG 3.96Å; F83-Y191 VanDerWaalsContact CD2-CB 3.49Å; F83-Y191 AromaticContact CD2-CD2 3.8Å; F83-Y191 HydrophobicContact CD2-CD2 3.8Å; F83-Y191 AromaticContact CD2-CG 3.73Å; F83-Y191 HydrophobicContact CD2-CG 3.73Å; F83-Y191 HydrophobicContact CG-CG 4.29Å; F83-I193 HydrophobicContact CD2-CD1 3.85Å; F83-I193 HydrophobicContact CE2-CD1 3.72Å |
| 84 | K | 95.1 | Very high | 93.5 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 30% | 0.3 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 178.4 | 177.8 | -167.1 | -176.7 | -174.5 | 0 | 111.5 | V17 E18 V80 S81 A86 L87 | V17-K84 HydrophobicContact CG1-CB 4.39Å; V17-K84 HydrophobicContact CG1-CG 4.46Å; E18-K84 HydrophobicContact CB-CD 4.27Å; E18-K84 IonicContact OE2-NZ 3.54Å; E18-K84 PolarHBondContact OE2-NZ 3.45Å; V80-K84 WeakPolarHBondContact O-CB 3.24Å; V80-K84 PolarHBondContact O-N 3.15Å; S81-K84 PolarHBondContact O-N 2.82Å; K84-A86 PolarHBondContact O-N 3.35Å; K84-L87 WeakPolarHBondContact O-CB 3.26Å; K84-L87 PolarHBondContact O-N 2.93Å; K84-L87 VanDerWaalsContact O-N 3.13Å |
| 85 | D | 94.1 | Very high | 93.5 | Very high | 124 Ų | 124 | 48.3 Ų | 48.3 | 66% | 0.663 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.9 | -28.8 | 178.7 | -67.2 | -22.2 | 0 | 0 | 0 | 112.1 | S81 | S81-D85 WeakPolarHBondContact O-CB 3.42Å; S81-D85 PolarHBondContact O-N 3.32Å |
| 86 | A | 92.5 | Very high | 93.5 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 37% | 0.372 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -82.8 | -13.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E82 F83 K84 Y191 I193 | E82-A86 WeakPolarHBondContact O-CB 3.23Å; E82-A86 PolarHBondContact O-N 3.38Å; F83-A86 PolarHBondContact O-N 2.89Å; K84-A86 PolarHBondContact O-N 3.35Å; A86-Y191 HydrophobicContact CB-CE2 3.8Å; A86-I193 HydrophobicContact CB-CD1 4.01Å; A86-I193 HydrophobicContact CB-CG1 3.94Å |
| 87 | L | 91 | Very high | 93.5 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -86.3 | 135.4 | -176.4 | -165.2 | 63.9 | 0 | 0 | 0 | 110.7 | V17 F83 K84 V123 V125 I193 | V17-L87 HydrophobicContact CG1-CD2 4.23Å; V17-L87 HydrophobicContact CG2-CD2 4.25Å; F83-L87 HydrophobicContact CZ-CD2 4.43Å; F83-L87 PolarHBondContact O-N 3.38Å; K84-L87 WeakPolarHBondContact O-CB 3.26Å; K84-L87 PolarHBondContact O-N 2.93Å; K84-L87 VanDerWaalsContact O-N 3.13Å; L87-V123 HydrophobicContact CD2-CG1 3.77Å; L87-V125 HydrophobicContact CD2-CG2 3.33Å; L87-V125 HydrophobicContact CG-CG2 3.93Å; L87-I193 HydrophobicContact CB-CD1 4.3Å; L87-I193 HydrophobicContact CD1-CD1 3.96Å; L87-I193 HydrophobicContact CD1-CG2 4.48Å |
| 88 | S | 83.4 | Confident | 93.5 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | trans | -72.6 | 160.3 | 172.6 | 70.1 | 0 | 0 | 0 | 0 | 111.4 | D90 G91 | S88-D90 PolarHBondContact O-N 3.47Å; S88-D90 PolarHBondContact OG-OD1 3.4Å; S88-D90 VanDerWaalsContact OG-OD1 3.08Å; S88-G91 PolarHBondContact O-N 3.47Å; S88-G91 WeakPolarHBondContact OG-CA 3.35Å; S88-G91 PolarHBondContact OG-N 2.83Å | ||
| 89 | S | 79 | Confident | 93.5 | Very high | 77 Ų | 77 | 37.5 Ų | 37.5 | 54% | 0.538 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.8 | -179 | 46.5 | 0 | 0 | 0 | 0 | 114.8 | V125 N127 | S89-V125 WeakPolarHBondContact O-CG1 3.44Å; S89-N127 PolarHBondContact O-OD1 3.08Å |
| 90 | D | 80.4 | Confident | 93.5 | Very high | 104 Ų | 104 | 38.8 Ų | 38.8 | 56% | 0.556 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | 19.2 | 178.7 | 58.6 | -8.1 | 0 | 0 | 0 | 111.7 | S88 | S88-D90 PolarHBondContact O-N 3.47Å; S88-D90 PolarHBondContact OG-OD1 3.4Å; S88-D90 VanDerWaalsContact OG-OD1 3.08Å |
| 91 | G | 86.7 | Confident | 93.3 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | trans | -83.2 | 166.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S88 V125 | S88-G91 PolarHBondContact O-N 3.47Å; S88-G91 WeakPolarHBondContact OG-CA 3.35Å; S88-G91 PolarHBondContact OG-N 2.83Å; G91-V125 PolarHBondContact O-N 2.67Å | ||
| 92 | M | 93.9 | Very high | 93.2 | Very high | 101 Ų | 101 | 41.5 Ų | 41.5 | 50% | 0.498 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.7 | 167.4 | -65.8 | -179.7 | 70.4 | 0 | 0 | 109.5 | V123 T194 | M92-V123 WeakPolarHBondContact CA-O 3.35Å; M92-T194 PolarHBondContact O-N 3.15Å |
| 93 | G | 95.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 171.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | K122 V123 Q192 | G93-K122 CarbonylContact O-C 3.58Å; G93-K122 WeakPolarHBondContact O-CA 3.46Å; G93-V123 PolarHBondContact N-O 3.3Å; G93-V123 PolarHBondContact O-N 3.36Å; G93-Q192 CarbonylContact C-O 3.55Å; G93-Q192 VanDerWaalsContact CA-O 3.25Å; G93-Q192 WeakPolarHBondContact CA-O 3.2Å |
| 94 | Q | 96.6 | Very high | 92 | Very high | 35 Ų | 35 | 51 Ų | 51 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.6 | 177.5 | 176.9 | 179.5 | -40.6 | 0 | 0 | 110.1 | S96 S120 I121 K122 Y191 Q192 | Q94-S96 PolarHBondContact NE2-OG 2.95Å; Q94-S120 PolarHBondContact NE2-OG 2.79Å; Q94-I121 CarbonylContact C-O 3.57Å; Q94-I121 VanDerWaalsContact CA-O 3.28Å; Q94-I121 WeakPolarHBondContact CA-O 3.36Å; Q94-K122 HydrophobicContact CB-CG 4.22Å; Q94-K122 HydrophobicContact CG-CG 4.11Å; Q94-Y191 CarbonylContact O-C 3.38Å; Q94-Y191 WeakPolarHBondContact O-CA 3.44Å; Q94-Y191 WeakPolarHBondContact O-CB 3.28Å; Q94-Q192 PolarHBondContact N-O 2.99Å; Q94-Q192 PolarHBondContact O-N 2.8Å |
| 95 | I | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.2 | 163.5 | -165.6 | 157.2 | 0 | 0 | 0 | 109 | M21 L25 V80 F83 I121 I189 T190 | M21-I95 HydrophobicContact CG-CG2 4.47Å; M21-I95 HydrophobicContact SD-CG2 3.61Å; L25-I95 HydrophobicContact CD1-CD1 3.98Å; L25-I95 HydrophobicContact CD1-CG2 4.41Å; V80-I95 HydrophobicContact CG2-CD1 4.19Å; F83-I95 HydrophobicContact CB-CD1 4.42Å; I95-I121 HydrophobicContact CG2-CB 3.85Å; I95-I121 HydrophobicContact CG2-CD1 4.13Å; I95-I121 HydrophobicContact CG2-CG1 4.48Å; I95-I121 PolarHBondContact N-O 2.75Å; I95-I121 PolarHBondContact O-N 2.86Å; I95-I189 HydrophobicContact CD1-CG2 3.69Å; I95-I189 HydrophobicContact CG1-CG2 3.62Å; I95-T190 CarbonylContact C-O 3.56Å |
| 96 | S | 98.3 | Very high | 90.2 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.3 | -179.2 | -52.3 | 0 | 0 | 0 | 0 | 110.1 | Q94 W119 I189 T190 | Q94-S96 PolarHBondContact NE2-OG 2.95Å; S96-W119 CarbonylContact C-O 3.54Å; S96-W119 VanDerWaalsContact CA-O 3.23Å; S96-W119 WeakPolarHBondContact CA-O 3.42Å; S96-I189 CarbonylContact O-C 3.52Å; S96-I189 VanDerWaalsContact O-CA 3.31Å; S96-I189 WeakPolarHBondContact O-CA 3.46Å; S96-T190 PolarHBondContact N-O 3.34Å; S96-T190 PolarHBondContact O-N 3.05Å |
| 97 | L | 98.4 | Very high | 89 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 107.8 | 173 | 175 | 63.9 | 0 | 0 | 0 | 108.2 | L25 I28 L29 F99 V118 W119 Y187 I189 | L25-L97 HydrophobicContact CD2-CB 3.87Å; L25-L97 HydrophobicContact CD2-CD2 4.05Å; I28-L97 HydrophobicContact CB-CD2 4.13Å; I28-L97 HydrophobicContact CG2-CD2 3.7Å; L29-L97 HydrophobicContact CD2-CD2 4.4Å; L29-L97 HydrophobicContact CG-CD2 4.11Å; L97-F99 HydrophobicContact CD1-CZ 4.38Å; L97-F99 HydrophobicContact CD2-CE2 3.98Å; L97-F99 HydrophobicContact CD2-CZ 3.72Å; L97-F99 HydrophobicContact CG-CE2 3.99Å; L97-F99 HydrophobicContact CG-CZ 3.95Å; L97-V118 WeakPolarHBondContact O-CA 3.4Å; L97-W119 HydrophobicContact CB-CB 4.39Å; L97-W119 PolarHBondContact N-O 2.82Å; L97-W119 PolarHBondContact O-N 3.44Å; L97-Y187 HydrophobicContact CD1-CD2 3.56Å; L97-Y187 HydrophobicContact CD1-CE2 4.46Å; L97-Y187 HydrophobicContact CD1-CG 4.02Å; L97-I189 HydrophobicContact CD1-CD1 4.36Å; L97-I189 HydrophobicContact CD1-CG1 3.8Å |
| 98 | E | 98.3 | Very high | 88.2 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 13% | 0.131 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.4 | 179.4 | 171.6 | -173.3 | 117.2 | 0 | 0 | 110.2 | P115 E117 V118 Y187 K188 | E98-P115 HydrophobicContact CG-CB 3.73Å; E98-E117 CarbonylContact C-O 3.44Å; E98-E117 WeakPolarHBondContact CA-O 3.38Å; E98-V118 HydrophobicContact CB-CG2 4.02Å; E98-V118 HydrophobicContact CG-CG2 3.85Å; E98-Y187 CarbonylContact O-C 3.55Å; E98-Y187 WeakPolarHBondContact O-CA 3.48Å; E98-K188 HydrophobicContact CB-CD 4.41Å; E98-K188 HydrophobicContact CB-CG 3.83Å; E98-K188 HydrophobicContact CG-CG 4.34Å; E98-K188 PolarHBondContact N-O 3.19Å; E98-K188 PolarHBondContact O-N 3.09Å; E98-K188 WeakPolarHBondContact OE1-CD 3.42Å; E98-K188 WeakPolarHBondContact OE1-CE 3.49Å; E98-K188 IonicContact OE1-NZ 2.71Å; E98-K188 PolarHBondContact OE1-NZ 3.42Å; E98-K188 WeakPolarHBondContact OE2-CE 3.4Å; E98-K188 IonicContact OE2-NZ 3.59Å; E98-K188 PolarHBondContact OE2-NZ 2.92Å |
| 99 | F | 98.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.9 | 169 | -60 | -78.6 | 0 | 0 | 0 | 110.8 | I28 L29 R32 L97 P115 W116 E117 W119 L186 | I28-F99 HydrophobicContact CG2-CE2 3.72Å; I28-F99 HydrophobicContact CG2-CZ 3.93Å; L29-F99 HydrophobicContact CD2-CE1 4.18Å; L29-F99 HydrophobicContact CD2-CZ 4.24Å; R32-F99 HydrophobicContact CB-CD1 4.35Å; R32-F99 HydrophobicContact CB-CE1 3.55Å; R32-F99 HydrophobicContact CB-CE2 4.09Å; R32-F99 HydrophobicContact CB-CZ 3.39Å; R32-F99 HydrophobicContact CG-CD2 4.37Å; R32-F99 HydrophobicContact CG-CE1 4.1Å; R32-F99 HydrophobicContact CG-CE2 3.72Å; R32-F99 HydrophobicContact CG-CZ 3.56Å; L97-F99 HydrophobicContact CD1-CZ 4.38Å; L97-F99 HydrophobicContact CD2-CE2 3.98Å; L97-F99 HydrophobicContact CD2-CZ 3.72Å; L97-F99 HydrophobicContact CG-CE2 3.99Å; L97-F99 HydrophobicContact CG-CZ 3.95Å; F99-P115 WeakPolarHBondContact O-CA 3.01Å; F99-W116 HydrophobicContact CB-CD2 4.22Å; F99-W116 VanDerWaalsContact CB-CE2 3.5Å; F99-W116 HydrophobicContact CB-CH2 4.27Å; F99-W116 HydrophobicContact CB-CZ2 3.53Å; F99-W116 HydrophobicContact CG-CZ2 4.1Å; F99-W116 PolarHBondContact O-N 3Å; F99-E117 HydrophobicContact CB-CB 4.37Å; F99-E117 HydrophobicContact CD2-CB 4.19Å; F99-E117 HydrophobicContact CD2-CG 4.27Å; F99-E117 PolarHBondContact N-O 3.38Å; F99-E117 PolarHBondContact O-N 3.28Å; F99-W119 AromaticContact CE2-CD1 4Å; F99-L186 VanDerWaalsContact CA-O 3.3Å; F99-L186 WeakPolarHBondContact CA-O 3.35Å |
| 100 | Y | 97 | Very high | 87.6 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 14% | 0.137 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 166.5 | -176.4 | 67.2 | -88 | 0 | 0 | 0 | 112.7 | K102 C113 I114 L186 K188 | Y100-K102 HydrophobicContact CD2-CG 4.5Å; Y100-K102 HydrophobicContact CE2-CG 4.04Å; Y100-C113 HydrophobicContact CD2-CB 3.59Å; Y100-C113 HydrophobicContact CE2-CB 4.02Å; Y100-C113 WeakPolarHBondContact CE2-SG 3.37Å; Y100-C113 HydrophobicContact CG-CB 4.09Å; Y100-I114 CarbonylContact C-O 3.54Å; Y100-I114 VanDerWaalsContact CA-O 3.24Å; Y100-I114 WeakPolarHBondContact CA-O 3.27Å; Y100-I114 WeakPolarHBondContact CB-O 3.37Å; Y100-L186 HydrophobicContact CD1-CB 4.31Å; Y100-L186 HydrophobicContact CD2-CB 4.18Å; Y100-L186 HydrophobicContact CD2-CD1 4.32Å; Y100-L186 HydrophobicContact CE1-CB 4.02Å; Y100-L186 HydrophobicContact CE2-CB 3.88Å; Y100-L186 HydrophobicContact CE2-CD1 3.87Å; Y100-L186 HydrophobicContact CE2-CG 4.42Å; Y100-L186 HydrophobicContact CG-CB 4.37Å; Y100-L186 PolarHBondContact N-O 3.36Å; Y100-L186 WeakPolarHBondContact O-CB 3.34Å; Y100-K188 HydrophobicContact CE1-CB 4.37Å |
| 101 | Q | 95.1 | Very high | 87.7 | Confident | 45 Ų | 45 | 71 Ų | 71 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 145 | 165.1 | -67.3 | -179.3 | -103.2 | 0 | 0 | 109.1 | I114 Y161 P163 N173 | Q101-I114 PolarHBondContact N-O 2.77Å; Q101-I114 PolarHBondContact O-N 2.94Å; Q101-Y161 PolarHBondContact OE1-OH 2.95Å; Q101-P163 HydrophobicContact CG-CB 4.19Å; Q101-P163 HydrophobicContact CG-CG 3.97Å; Q101-N173 CarbonylContact C-O 3.56Å; Q101-N173 VanDerWaalsContact CA-O 3.31Å; Q101-N173 WeakPolarHBondContact CA-O 3.45Å |
| 102 | K | 93.9 | Very high | 87.6 | Confident | 55 Ų | 55 | 75.3 Ų | 75.3 | 24% | 0.239 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.1 | 168.6 | -62 | 172.9 | -172 | 160 | 0 | 108.7 | Y100 E112 D172 N173 L186 | Y100-K102 HydrophobicContact CD2-CG 4.5Å; Y100-K102 HydrophobicContact CE2-CG 4.04Å; K102-E112 CarbonylContact C-O 3.58Å; K102-E112 WeakPolarHBondContact CA-O 3.3Å; K102-D172 PolarHBondContact NZ-O 2.95Å; K102-N173 HydrophobicContact CB-CB 4.17Å; K102-N173 PolarHBondContact N-O 2.63Å; K102-N173 WeakPolarHBondContact O-CB 3.31Å; K102-L186 HydrophobicContact CD-CD1 4.06Å; K102-L186 HydrophobicContact CG-CD1 3.83Å |
| 103 | K | 87.9 | Confident | 87.6 | Confident | 117 Ų | 117 | 74.1 Ų | 74.1 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.7 | 168.1 | -177.3 | -178.6 | 172.1 | -166.4 | 0 | 107.8 | S105 E112 I114 | K103-S105 PolarHBondContact O-N 2.81Å; K103-E112 HydrophobicContact CB-CB 4.44Å; K103-E112 PolarHBondContact N-O 3.08Å; K103-E112 PolarHBondContact O-N 3.03Å; K103-I114 HydrophobicContact CB-CD1 3.7Å; K103-I114 HydrophobicContact CB-CG1 4.3Å; K103-I114 HydrophobicContact CD-CD1 3.53Å; K103-I114 HydrophobicContact CG-CD1 4.27Å |
| 104 | K | 80.8 | Confident | 87.5 | Confident | 136 Ų | 136 | 76.9 Ų | 76.9 | 59% | 0.591 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 118.7 | 172.5 | -72 | -172.4 | 176.4 | 178.6 | 0 | 108.9 | D111 | K104-D111 WeakPolarHBondContact CA-OD1 3.46Š|
| 105 | S | 74.9 | Confident | 87.5 | Confident | 31 Ų | 31 | 77.1 Ų | 77.1 | 22% | 0.217 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -85 | 153 | 176.2 | -89.2 | 0 | 0 | 0 | 0 | 110.3 | K103 F109 S110 D111 | K103-S105 PolarHBondContact O-N 2.81Å; S105-F109 WeakPolarHBondContact CB-O 3.39Å; S105-S110 WeakPolarHBondContact CB-O 3.5Å; S105-S110 PolarHBondContact OG-O 3Å; S105-D111 PolarHBondContact N-OD1 3.04Å; S105-D111 VanDerWaalsContact N-OD1 3.13Å |
| 106 | R | 75.6 | Confident | 87.4 | Confident | 223 Ų | 223 | 77.2 Ų | 77.2 | 84% | 0.842 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 139 | 166.9 | -69.4 | -173.5 | -179.8 | -165.2 | 0.2 | 108.2 | F109 | R106-F109 WeakPolarHBondContact O-CD2 3.46Å; R106-F109 PolarHBondContact O-N 2.82Å |
| 107 | W | 68.3 | Low | 87.3 | Confident | 238 Ų | 238 | 76.7 Ų | 76.7 | 90% | 0.902 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 132.6 | 171.6 | -173.4 | 88.7 | 0 | 0 | 0 | 109.8 | ||
| 108 | P | 73.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 77.7 Ų | 77.7 | 57% | 0.571 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -99.3 | 13.6 | 17.1 | 38.8 | -36.6 | 0 | 0 | 0 | 116.2 | ||
| 109 | F | 74.7 | Confident | 87.3 | Confident | 152 Ų | 152 | 76.4 Ų | 76.4 | 67% | 0.667 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -84.6 | 147.6 | -174.1 | -54.2 | -73.3 | 0 | 0 | 0 | 112.4 | S105 R106 | S105-F109 WeakPolarHBondContact CB-O 3.39Å; R106-F109 WeakPolarHBondContact O-CD2 3.46Å; R106-F109 PolarHBondContact O-N 2.82Å |
| 110 | S | 75.4 | Confident | 87.3 | Confident | 97 Ų | 97 | 77 Ų | 77 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 152.7 | 174 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | S105 | S105-S110 WeakPolarHBondContact CB-O 3.5Å; S105-S110 PolarHBondContact OG-O 3Å |
| 111 | D | 81 | Confident | 87.4 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 139.6 | 168.6 | -71.7 | -9.9 | 0 | 0 | 0 | 110.4 | K104 S105 | K104-D111 WeakPolarHBondContact CA-OD1 3.46Å; S105-D111 PolarHBondContact N-OD1 3.04Å; S105-D111 VanDerWaalsContact N-OD1 3.13Å |
| 112 | E | 86.4 | Confident | 87.5 | Confident | 94 Ų | 94 | 76.7 Ų | 76.7 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.4 | -177.3 | -66.6 | 178.2 | 166 | 0 | 0 | 110 | K102 K103 I114 | K102-E112 CarbonylContact C-O 3.58Å; K102-E112 WeakPolarHBondContact CA-O 3.3Å; K103-E112 HydrophobicContact CB-CB 4.44Å; K103-E112 PolarHBondContact N-O 3.08Å; K103-E112 PolarHBondContact O-N 3.03Å; E112-I114 HydrophobicContact CB-CG1 4.3Å |
| 113 | C | 91.9 | Very high | 87.7 | Confident | 76 Ų | 76 | 74.2 Ų | 74.2 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 109.9 | 165.5 | -64.6 | 0 | 0 | 0 | 0 | 108.6 | Y100 P115 | Y100-C113 HydrophobicContact CD2-CB 3.59Å; Y100-C113 HydrophobicContact CE2-CB 4.02Å; Y100-C113 WeakPolarHBondContact CE2-SG 3.37Å; Y100-C113 HydrophobicContact CG-CB 4.09Å; C113-P115 WeakPolarHBondContact O-CD 3.17Å |
| 114 | I | 94.1 | Very high | 88.1 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 109.2 | -178.9 | -56.7 | -179.2 | 0 | 0 | 0 | 108.4 | Y100 Q101 K103 E112 | Y100-I114 CarbonylContact C-O 3.54Å; Y100-I114 VanDerWaalsContact CA-O 3.24Å; Y100-I114 WeakPolarHBondContact CA-O 3.27Å; Y100-I114 WeakPolarHBondContact CB-O 3.37Å; Q101-I114 PolarHBondContact N-O 2.77Å; Q101-I114 PolarHBondContact O-N 2.94Å; K103-I114 HydrophobicContact CB-CD1 3.7Å; K103-I114 HydrophobicContact CB-CG1 4.3Å; K103-I114 HydrophobicContact CD-CD1 3.53Å; K103-I114 HydrophobicContact CG-CD1 4.27Å; E112-I114 HydrophobicContact CB-CG1 4.3Å |
| 115 | P | 95.5 | Very high | 88.8 | Confident | 41 Ų | 41 | 64 Ų | 64 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 142.8 | 178 | 31.1 | -35.8 | 0 | 0 | 0 | 110.5 | C3 E98 F99 C113 | C3-P115 HydrophobicContact CB-CG 4.42Å; C3-P115 WeakPolarHBondContact CB-O 3.42Å; E98-P115 HydrophobicContact CG-CB 3.73Å; F99-P115 WeakPolarHBondContact O-CA 3.01Å; C113-P115 WeakPolarHBondContact O-CD 3.17Å |
| 116 | W | 95.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | -18 | 176.5 | 61.5 | -91.9 | 0 | 0 | 0 | 112.9 | M1 R4 F99 Y161 L162 P163 Y185 | M1-W116 HydrophobicContact SD-CB 4.35Å; R4-W116 PolarHBondContact N-O 3.03Å; R4-W116 VanDerWaalsContact N-O 3.1Å; F99-W116 HydrophobicContact CB-CD2 4.22Å; F99-W116 VanDerWaalsContact CB-CE2 3.5Å; F99-W116 HydrophobicContact CB-CH2 4.27Å; F99-W116 HydrophobicContact CB-CZ2 3.53Å; F99-W116 HydrophobicContact CG-CZ2 4.1Å; F99-W116 PolarHBondContact O-N 3Å; W116-Y161 HydrophobicContact CB-CD1 4.15Å; W116-Y161 HydrophobicContact CB-CE1 4.04Å; W116-Y161 HydrophobicContact CE3-CD1 4.32Å; W116-Y161 HydrophobicContact CG-CE1 4.27Å; W116-L162 HydrophobicContact CH2-CD2 3.85Å; W116-L162 HydrophobicContact CZ3-CD2 3.76Å; W116-P163 HydrophobicContact CD2-CG 4.09Å; W116-P163 HydrophobicContact CG-CG 4.43Å; W116-P163 HydrophobicContact CZ2-CG 3.86Å; W116-Y185 HydrophobicContact CH2-CD2 4.07Å; W116-Y185 HydrophobicContact CH2-CE2 4.22Å; W116-Y185 HydrophobicContact CH2-CG 4.37Å; W116-Y185 HydrophobicContact CZ2-CD1 4.01Å; W116-Y185 AromaticContact CZ2-CD2 3.87Å; W116-Y185 HydrophobicContact CZ2-CD2 3.87Å; W116-Y185 HydrophobicContact CZ2-CE1 4.45Å; W116-Y185 HydrophobicContact CZ2-CE2 4.31Å; W116-Y185 AromaticContact CZ2-CG 3.71Å; W116-Y185 HydrophobicContact CZ2-CG 3.71Å |
| 117 | E | 97.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 137.8 | 175 | -176.2 | 174.1 | -171.2 | 0 | 0 | 111 | R4 R32 E98 F99 W119 | R4-E117 CarbonylContact O-C 3.58Å; R4-E117 VanDerWaalsContact O-CA 3.3Å; R4-E117 WeakPolarHBondContact O-CA 3.37Å; R32-E117 IonicContact CZ-OE1 3.53Å; R32-E117 IonicContact CZ-OE2 3.55Å; R32-E117 VanDerWaalsContact CZ-OE2 3.29Å; R32-E117 IonicContact NE-OE1 3.15Å; R32-E117 IonicContact NE-OE2 3.57Å; R32-E117 PolarHBondContact NE-OE2 2.79Å; R32-E117 VanDerWaalsContact NH2-CD 3.31Å; R32-E117 IonicContact NH2-OE1 3.43Å; R32-E117 PolarHBondContact NH2-OE1 2.74Å; R32-E117 IonicContact NH2-OE2 2.78Å; R32-E117 PolarHBondContact NH2-OE2 2.64Å; E98-E117 CarbonylContact C-O 3.44Å; E98-E117 WeakPolarHBondContact CA-O 3.38Å; F99-E117 HydrophobicContact CB-CB 4.37Å; F99-E117 HydrophobicContact CD2-CB 4.19Å; F99-E117 HydrophobicContact CD2-CG 4.27Å; F99-E117 PolarHBondContact N-O 3.38Å; F99-E117 PolarHBondContact O-N 3.28Å; E117-W119 VanDerWaalsContact CD-NE1 3.32Å; E117-W119 PolarHBondContact OE1-NE1 3.06Å |
| 118 | V | 97.8 | Very high | 91.9 | Very high | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | R4 S5 E6 L97 E98 | R4-V118 PolarHBondContact O-N 2.83Å; S5-V118 CarbonylContact C-O 3.5Å; S5-V118 VanDerWaalsContact CA-O 3.31Å; S5-V118 WeakPolarHBondContact CA-O 3.38Å; E6-V118 PolarHBondContact N-O 2.81Å; L97-V118 WeakPolarHBondContact O-CA 3.4Å; E98-V118 HydrophobicContact CB-CG2 4.02Å; E98-V118 HydrophobicContact CG-CG2 3.85Å |
| 119 | W | 98.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.9 | 171.5 | -69.5 | 84.6 | 0 | 0 | 0 | 109.7 | E6 L8 I28 S96 L97 F99 E117 V152 V155 I156 | E6-W119 HydrophobicContact CB-CD2 4.02Å; E6-W119 HydrophobicContact CB-CE3 3.59Å; E6-W119 HydrophobicContact CB-CH2 4.16Å; E6-W119 HydrophobicContact CB-CZ3 3.66Å; E6-W119 HydrophobicContact CG-CE3 4.36Å; E6-W119 HydrophobicContact CG-CH2 4.1Å; E6-W119 HydrophobicContact CG-CZ2 4.3Å; E6-W119 HydrophobicContact CG-CZ3 4.12Å; L8-W119 HydrophobicContact CD1-CE3 4.11Å; L8-W119 HydrophobicContact CD1-CZ3 4.32Å; L8-W119 HydrophobicContact CG-CE3 4.42Å; I28-W119 HydrophobicContact CD1-CB 3.68Å; I28-W119 HydrophobicContact CD1-CD2 3.68Å; I28-W119 HydrophobicContact CD1-CE3 3.86Å; I28-W119 HydrophobicContact CD1-CG 3.62Å; I28-W119 HydrophobicContact CG1-CD2 3.95Å; I28-W119 HydrophobicContact CG1-CE3 4.22Å; I28-W119 HydrophobicContact CG1-CG 4.17Å; I28-W119 HydrophobicContact CG2-CD2 4.34Å; I28-W119 HydrophobicContact CG2-CG 4.02Å; S96-W119 CarbonylContact C-O 3.54Å; S96-W119 VanDerWaalsContact CA-O 3.23Å; S96-W119 WeakPolarHBondContact CA-O 3.42Å; L97-W119 HydrophobicContact CB-CB 4.39Å; L97-W119 PolarHBondContact N-O 2.82Å; L97-W119 PolarHBondContact O-N 3.44Å; F99-W119 AromaticContact CE2-CD1 4Å; E117-W119 VanDerWaalsContact CD-NE1 3.32Å; E117-W119 PolarHBondContact OE1-NE1 3.06Å; W119-V152 HydrophobicContact CE3-CG2 4.37Å; W119-V152 HydrophobicContact CH2-CB 4.29Å; W119-V152 HydrophobicContact CH2-CG1 4.11Å; W119-V152 HydrophobicContact CH2-CG2 4.2Å; W119-V152 HydrophobicContact CZ3-CB 4.34Å; W119-V152 HydrophobicContact CZ3-CG1 4.44Å; W119-V152 HydrophobicContact CZ3-CG2 3.76Å; W119-V155 HydrophobicContact CH2-CB 3.85Å; W119-V155 HydrophobicContact CH2-CG1 3.7Å; W119-V155 HydrophobicContact CZ2-CG1 4Å; W119-I156 HydrophobicContact CH2-CG1 4.39Å; W119-I156 HydrophobicContact CZ2-CD1 4.3Å; W119-I156 HydrophobicContact CZ2-CG1 3.87Å |
| 120 | S | 98.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 111 | -180 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | E6 V7 L8 Q94 | E6-S120 PolarHBondContact O-N 3.35Å; V7-S120 CarbonylContact C-O 3.57Å; V7-S120 VanDerWaalsContact CA-O 3.3Å; V7-S120 WeakPolarHBondContact CA-O 3.35Å; L8-S120 PolarHBondContact N-O 3.39Å; Q94-S120 PolarHBondContact NE2-OG 2.79Å |
| 121 | I | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 108 | 177 | -54.3 | 159.7 | 0 | 0 | 0 | 107.6 | L8 M21 L24 L25 Q94 I95 | L8-I121 HydrophobicContact CB-CG1 4.37Å; L8-I121 HydrophobicContact CD1-CG1 4.19Å; L8-I121 CarbonylContact O-C 3.59Å; L8-I121 WeakPolarHBondContact O-CA 3.48Å; M21-I121 HydrophobicContact CE-CG2 3.52Å; M21-I121 HydrophobicContact SD-CB 4.17Å; M21-I121 HydrophobicContact SD-CG2 3.59Å; M21-I121 VanDerWaalsContact SD-CG2 3.59Å; L24-I121 HydrophobicContact CB-CD1 3.62Å; L24-I121 HydrophobicContact CB-CG1 4.35Å; L24-I121 HydrophobicContact CD1-CD1 4.37Å; L24-I121 HydrophobicContact CD1-CG1 4.34Å; L24-I121 HydrophobicContact CD1-CG2 3.64Å; L25-I121 HydrophobicContact CD2-CD1 3.75Å; L25-I121 HydrophobicContact CG-CD1 3.8Å; Q94-I121 CarbonylContact C-O 3.57Å; Q94-I121 VanDerWaalsContact CA-O 3.28Å; Q94-I121 WeakPolarHBondContact CA-O 3.36Å; I95-I121 HydrophobicContact CG2-CB 3.85Å; I95-I121 HydrophobicContact CG2-CD1 4.13Å; I95-I121 HydrophobicContact CG2-CG1 4.48Å; I95-I121 PolarHBondContact N-O 2.75Å; I95-I121 PolarHBondContact O-N 2.86Å |
| 122 | K | 98.2 | Very high | 95.5 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 138 | 173.8 | -55.1 | -174.2 | -166.7 | 156.1 | 0 | 110.2 | V7 L8 E9 V10 G93 Q94 | V7-K122 HydrophobicContact CG1-CD 4.11Å; V7-K122 HydrophobicContact CG1-CG 4.18Å; L8-K122 PolarHBondContact O-N 2.76Å; E9-K122 WeakPolarHBondContact CA-O 3.43Å; E9-K122 HydrophobicContact CG-CB 4.17Å; E9-K122 HydrophobicContact CG-CD 4.17Å; E9-K122 HydrophobicContact CG-CG 4.45Å; E9-K122 WeakPolarHBondContact OE1-CD 3.48Å; E9-K122 IonicContact OE1-NZ 4Å; E9-K122 PolarHBondContact OE1-NZ 3.27Å; V10-K122 PolarHBondContact N-O 2.74Å; G93-K122 CarbonylContact O-C 3.58Å; G93-K122 WeakPolarHBondContact O-CA 3.46Å; Q94-K122 HydrophobicContact CB-CG 4.22Å; Q94-K122 HydrophobicContact CG-CG 4.11Å |
| 123 | V | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.7 | 175.8 | 72 | 0 | 0 | 0 | 0 | 109.8 | V10 V12 V17 M21 F83 L87 M92 G93 | V10-V123 HydrophobicContact CG2-CB 4.35Å; V10-V123 HydrophobicContact CG2-CG2 4.19Å; V10-V123 WeakPolarHBondContact O-CA 3.32Å; V12-V123 HydrophobicContact CG2-CG2 3.54Å; V17-V123 HydrophobicContact CG2-CG2 4.37Å; M21-V123 HydrophobicContact CE-CB 4.07Å; M21-V123 HydrophobicContact CE-CG2 4.27Å; F83-V123 HydrophobicContact CE1-CG1 3.81Å; F83-V123 HydrophobicContact CZ-CG1 3.5Å; L87-V123 HydrophobicContact CD2-CG1 3.77Å; M92-V123 WeakPolarHBondContact CA-O 3.35Å; G93-V123 PolarHBondContact N-O 3.3Å; G93-V123 PolarHBondContact O-N 3.36Å |
| 124 | S | 96.4 | Very high | 96.3 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.5 | 164.9 | 173.1 | 0 | 0 | 0 | 0 | 108.3 | V10 T11 V12 | V10-S124 PolarHBondContact O-N 3.02Å; T11-S124 VanDerWaalsContact CA-O 3.31Å; T11-S124 WeakPolarHBondContact CA-O 3.41Å; V12-S124 PolarHBondContact N-O 3.39Å |
| 125 | V | 95.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130 | -179.6 | -170.3 | 0 | 0 | 0 | 0 | 109.8 | V12 A14 V17 L87 S89 G91 | V12-V125 VanDerWaalsContact O-CA 3.32Å; V12-V125 WeakPolarHBondContact O-CA 3.48Å; A14-V125 HydrophobicContact CB-CG1 3.85Å; V17-V125 HydrophobicContact CG2-CG2 4Å; L87-V125 HydrophobicContact CD2-CG2 3.33Å; L87-V125 HydrophobicContact CG-CG2 3.93Å; S89-V125 WeakPolarHBondContact O-CG1 3.44Å; G91-V125 PolarHBondContact O-N 2.67Å |
| 126 | V | 94.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 30% | 0.297 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 145.5 | 176.6 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | T11 V12 L128 | T11-V126 HydrophobicContact CG2-CB 4.48Å; T11-V126 HydrophobicContact CG2-CG1 3.43Å; T11-V126 VanDerWaalsContact CG2-CG1 3.43Å; T11-V126 HydrophobicContact CG2-CG2 4.24Å; V12-V126 PolarHBondContact O-N 2.84Å; V126-L128 HydrophobicContact CG2-CD2 4.18Å |
| 127 | N | 93.7 | Very high | 96.6 | Very high | 114 Ų | 114 | 50 Ų | 50 | 61% | 0.61 | 26% | 0.264 | S | S | * | . | trans | -92 | 131.1 | 170.9 | -70.3 | -49.8 | 0 | 0 | 0 | 109.7 | S89 | S89-N127 PolarHBondContact O-OD1 3.08Š| ||
| 128 | L | 94.3 | Very high | 96.7 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | trans | -108 | 135.3 | 178.2 | -56.5 | 178.5 | 0 | 0 | 0 | 109.3 | E13 V126 E133 R134 C137 | E13-L128 HydrophobicContact CB-CD1 4.03Å; E13-L128 HydrophobicContact CG-CD1 4.21Å; E13-L128 HydrophobicContact CG-CG 4.5Å; V126-L128 HydrophobicContact CG2-CD2 4.18Å; L128-E133 HydrophobicContact CB-CB 4.22Å; L128-E133 HydrophobicContact CD2-CB 4.49Å; L128-R134 HydrophobicContact CB-CG 4.08Å; L128-R134 HydrophobicContact CD1-CB 4.39Å; L128-R134 HydrophobicContact CD1-CG 3.91Å; L128-C137 HydrophobicContact CD1-CB 3.47Å; L128-C137 VanDerWaalsContact CD1-CB 3.47Å | ||
| 129 | A | 92.8 | Very high | 96.7 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 69% | 0.686 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -79 | -26.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.1 | E133 | A129-E133 WeakPolarHBondContact CB-OE2 3.29Å; A129-E133 PolarHBondContact N-OE2 3.34Å |
| 130 | N | 95.8 | Very high | 96.7 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -155.7 | 170 | -173.1 | 58.8 | 68.6 | 0 | 0 | 0 | 112.3 | Q132 E133 R134 | N130-Q132 VanDerWaalsContact C-N 3.3Å; N130-Q132 PolarHBondContact O-N 3.29Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.25Å; N130-Q132 PolarHBondContact OD1-N 2.82Å; N130-Q132 VanDerWaalsContact OD1-N 3.14Å; N130-E133 PolarHBondContact ND2-OE1 3.2Å; N130-E133 VanDerWaalsContact ND2-OE1 3.1Å; N130-E133 PolarHBondContact O-N 2.92Å; N130-E133 PolarHBondContact OD1-N 3.13Å; N130-R134 PolarHBondContact O-N 3.22Å; N130-R134 VanDerWaalsContact O-N 3.14Å |
| 131 | E | 96 | Very high | 96.7 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.3 | -28.7 | -176.8 | -165.3 | 56 | -146.8 | 0 | 0 | 113.6 | R134 Q135 | E131-R134 WeakPolarHBondContact O-CB 3.31Å; E131-R134 PolarHBondContact O-N 3.01Å; E131-R134 WeakPolarHBondContact OE2-CD 3.23Å; E131-R134 IonicContact OE2-CZ 2.83Å; E131-R134 IonicContact OE2-NH1 2.93Å; E131-R134 PolarHBondContact OE2-NH1 3.41Å; E131-Q135 PolarHBondContact O-N 2.74Å |
| 132 | Q | 97 | Very high | 96.7 | Very high | 148 Ų | 148 | 62.6 Ų | 62.6 | 69% | 0.692 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 176.3 | -178.7 | -178.5 | -11.2 | 0 | 0 | 110.8 | N130 R134 Q135 I136 | N130-Q132 VanDerWaalsContact C-N 3.3Å; N130-Q132 PolarHBondContact O-N 3.29Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.25Å; N130-Q132 PolarHBondContact OD1-N 2.82Å; N130-Q132 VanDerWaalsContact OD1-N 3.14Å; Q132-R134 VanDerWaalsContact C-N 3.3Å; Q132-R134 PolarHBondContact O-N 3.34Å; Q132-Q135 PolarHBondContact O-N 2.87Å; Q132-I136 HydrophobicContact CG-CD1 4.29Å; Q132-I136 WeakPolarHBondContact O-CG1 3.4Å; Q132-I136 PolarHBondContact O-N 3.12Å; Q132-I136 VanDerWaalsContact O-N 3.13Å |
| 133 | E | 97.1 | Very high | 96.7 | Very high | 78 Ų | 78 | 65.3 Ų | 65.3 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 172.8 | -74.6 | 171.5 | -158.5 | 0 | 0 | 112 | L128 A129 N130 I136 C137 | L128-E133 HydrophobicContact CB-CB 4.22Å; L128-E133 HydrophobicContact CD2-CB 4.49Å; A129-E133 WeakPolarHBondContact CB-OE2 3.29Å; A129-E133 PolarHBondContact N-OE2 3.34Å; N130-E133 PolarHBondContact ND2-OE1 3.2Å; N130-E133 VanDerWaalsContact ND2-OE1 3.1Å; N130-E133 PolarHBondContact O-N 2.92Å; N130-E133 PolarHBondContact OD1-N 3.13Å; E133-I136 PolarHBondContact O-N 2.73Å; E133-C137 VanDerWaalsContact O-CB 3.27Å; E133-C137 WeakPolarHBondContact O-CB 3.16Å; E133-C137 PolarHBondContact O-N 2.85Å |
| 134 | R | 97.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 70 Ų | 70 | 28% | 0.275 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 174.2 | -68.8 | -166.2 | -169.6 | 103.8 | 9.3 | 111.7 | E13 L128 N130 E131 Q132 I136 C137 R138 | E13-R134 VanDerWaalsContact OE1-CD 3.31Å; E13-R134 WeakPolarHBondContact OE1-CD 3.44Å; E13-R134 IonicContact OE1-CZ 3.83Å; E13-R134 IonicContact OE1-NE 2.84Å; E13-R134 PolarHBondContact OE1-NE 2.78Å; L128-R134 HydrophobicContact CB-CG 4.08Å; L128-R134 HydrophobicContact CD1-CB 4.39Å; L128-R134 HydrophobicContact CD1-CG 3.91Å; N130-R134 PolarHBondContact O-N 3.22Å; N130-R134 VanDerWaalsContact O-N 3.14Å; E131-R134 WeakPolarHBondContact O-CB 3.31Å; E131-R134 PolarHBondContact O-N 3.01Å; E131-R134 WeakPolarHBondContact OE2-CD 3.23Å; E131-R134 IonicContact OE2-CZ 2.83Å; E131-R134 IonicContact OE2-NH1 2.93Å; E131-R134 PolarHBondContact OE2-NH1 3.41Å; Q132-R134 VanDerWaalsContact C-N 3.3Å; Q132-R134 PolarHBondContact O-N 3.34Å; R134-I136 VanDerWaalsContact C-N 3.33Å; R134-I136 PolarHBondContact O-N 2.84Å; R134-C137 WeakPolarHBondContact O-CA 3.3Å; R134-C137 WeakPolarHBondContact O-CB 3.27Å; R134-C137 PolarHBondContact O-N 2.69Å; R134-R138 WeakPolarHBondContact O-CG 3.4Å; R134-R138 PolarHBondContact O-N 2.94Å |
| 135 | Q | 97.3 | Very high | 96.9 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | -179.7 | -173.8 | 54.3 | 36.5 | 0 | 0 | 111.7 | E131 Q132 C137 R138 E139 | E131-Q135 PolarHBondContact O-N 2.74Å; Q132-Q135 PolarHBondContact O-N 2.87Å; Q135-C137 VanDerWaalsContact C-N 3.29Å; Q135-C137 PolarHBondContact O-N 2.84Å; Q135-R138 WeakPolarHBondContact O-CB 3.4Å; Q135-R138 PolarHBondContact O-N 3.41Å; Q135-R138 VanDerWaalsContact OE1-NH1 3.12Å; Q135-E139 PolarHBondContact NE2-OE1 2.82Å; Q135-E139 PolarHBondContact O-N 2.77Å |
| 136 | I | 97.6 | Very high | 97 | Very high | 70 Ų | 70 | 69.1 Ų | 69.1 | 36% | 0.359 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 174.5 | -65.8 | 166 | 0 | 0 | 0 | 111.2 | Q132 E133 R134 K140 | Q132-I136 HydrophobicContact CG-CD1 4.29Å; Q132-I136 WeakPolarHBondContact O-CG1 3.4Å; Q132-I136 PolarHBondContact O-N 3.12Å; Q132-I136 VanDerWaalsContact O-N 3.13Å; E133-I136 PolarHBondContact O-N 2.73Å; R134-I136 VanDerWaalsContact C-N 3.33Å; R134-I136 PolarHBondContact O-N 2.84Å; I136-K140 HydrophobicContact CG2-CD 3.89Å; I136-K140 HydrophobicContact CG2-CG 4.41Å; I136-K140 WeakPolarHBondContact O-CB 3.29Å; I136-K140 WeakPolarHBondContact O-CG 3.48Å; I136-K140 PolarHBondContact O-N 2.86Å; I136-K140 VanDerWaalsContact O-N 3.13Å |
| 137 | C | 97.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 70.8 Ų | 70.8 | 10% | 0.101 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 178.3 | -175 | 0 | 0 | 0 | 0 | 111.9 | Q16 L128 E133 R134 Q135 E139 K140 V141 | Q16-C137 PolarHBondContact OE1-SG 3.44Å; L128-C137 HydrophobicContact CD1-CB 3.47Å; L128-C137 VanDerWaalsContact CD1-CB 3.47Å; E133-C137 VanDerWaalsContact O-CB 3.27Å; E133-C137 WeakPolarHBondContact O-CB 3.16Å; E133-C137 PolarHBondContact O-N 2.85Å; R134-C137 WeakPolarHBondContact O-CA 3.3Å; R134-C137 WeakPolarHBondContact O-CB 3.27Å; R134-C137 PolarHBondContact O-N 2.69Å; Q135-C137 VanDerWaalsContact C-N 3.29Å; Q135-C137 PolarHBondContact O-N 2.84Å; C137-E139 PolarHBondContact O-N 2.99Å; C137-K140 PolarHBondContact O-N 3.49Å; C137-V141 WeakPolarHBondContact O-CB 3.47Å; C137-V141 WeakPolarHBondContact O-CG2 3.44Å; C137-V141 PolarHBondContact O-N 2.83Å |
| 138 | R | 98.2 | Very high | 97.4 | Very high | 60 Ų | 60 | 67.4 Ų | 67.4 | 23% | 0.226 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.9 | -48.4 | 176.6 | -66.5 | -178 | 57.9 | -156.1 | -2.6 | 112.5 | F59 D61 R134 Q135 G142 | F59-R138 WeakPolarHBondContact O-CG 3.43Å; D61-R138 PolarHBondContact N-O 3.31Å; D61-R138 IonicContact OD1-CZ 2.82Å; D61-R138 VanDerWaalsContact OD1-CZ 3.23Å; D61-R138 IonicContact OD1-NE 3.99Å; D61-R138 PolarHBondContact OD1-NE 2.98Å; D61-R138 IonicContact OD1-NH2 3.71Å; D61-R138 PolarHBondContact OD1-NH2 3.37Å; R134-R138 WeakPolarHBondContact O-CG 3.4Å; R134-R138 PolarHBondContact O-N 2.94Å; Q135-R138 WeakPolarHBondContact O-CB 3.4Å; Q135-R138 PolarHBondContact O-N 3.41Å; Q135-R138 VanDerWaalsContact OE1-NH1 3.12Å; R138-G142 PolarHBondContact O-N 2.86Å; R138-G142 VanDerWaalsContact O-N 3.12Å |
| 139 | E | 98.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -50.4 | 179 | -67.7 | 167.9 | -157.2 | 0 | 0 | 111 | D61 Q135 C137 V141 G142 E143 | D61-E139 WeakPolarHBondContact OD2-CG 3.34Å; Q135-E139 PolarHBondContact NE2-OE1 2.82Å; Q135-E139 PolarHBondContact O-N 2.77Å; C137-E139 PolarHBondContact O-N 2.99Å; E139-V141 PolarHBondContact O-N 3.01Å; E139-G142 PolarHBondContact O-N 3.21Å; E139-G142 VanDerWaalsContact O-N 3.12Å; E139-E143 PolarHBondContact O-N 3.44Å |
| 140 | K | 98.4 | Very high | 97.8 | Very high | 128 Ų | 128 | 68.2 Ų | 68.2 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.7 | -40.3 | -179 | -74.1 | -179.8 | 179.1 | 176.6 | 0 | 113.1 | I136 C137 G142 E143 K144 | I136-K140 HydrophobicContact CG2-CD 3.89Å; I136-K140 HydrophobicContact CG2-CG 4.41Å; I136-K140 WeakPolarHBondContact O-CB 3.29Å; I136-K140 WeakPolarHBondContact O-CG 3.48Å; I136-K140 PolarHBondContact O-N 2.86Å; I136-K140 VanDerWaalsContact O-N 3.13Å; C137-K140 PolarHBondContact O-N 3.49Å; K140-G142 VanDerWaalsContact C-N 3.31Å; K140-E143 PolarHBondContact O-N 2.97Å; K140-K144 WeakPolarHBondContact O-CB 3.29Å; K140-K144 VanDerWaalsContact O-CG 3.3Å; K140-K144 WeakPolarHBondContact O-CG 3.49Å; K140-K144 PolarHBondContact O-N 3.48Å |
| 141 | V | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.055 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | V12 I60 C137 E139 K144 L145 | V12-V141 HydrophobicContact CG1-CG1 3.83Å; V12-V141 HydrophobicContact CG1-CG2 4.18Å; I60-V141 HydrophobicContact CD1-CG1 3.85Å; I60-V141 HydrophobicContact CG1-CG1 4.08Å; I60-V141 HydrophobicContact CG2-CB 4.1Å; I60-V141 HydrophobicContact CG2-CG1 3.75Å; C137-V141 WeakPolarHBondContact O-CB 3.47Å; C137-V141 WeakPolarHBondContact O-CG2 3.44Å; C137-V141 PolarHBondContact O-N 2.83Å; E139-V141 PolarHBondContact O-N 3.01Å; V141-K144 PolarHBondContact O-N 2.89Å; V141-L145 HydrophobicContact CG1-CD1 4.45Å; V141-L145 HydrophobicContact CG1-CG 4.38Å; V141-L145 WeakPolarHBondContact O-CG 3.3Å; V141-L145 PolarHBondContact O-N 2.84Å |
| 142 | G | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F62 R138 E139 K140 K144 L145 G146 | F62-G142 WeakPolarHBondContact CD2-O 3.41Å; R138-G142 PolarHBondContact O-N 2.86Å; R138-G142 VanDerWaalsContact O-N 3.12Å; E139-G142 PolarHBondContact O-N 3.21Å; E139-G142 VanDerWaalsContact O-N 3.12Å; K140-G142 VanDerWaalsContact C-N 3.31Å; G142-K144 VanDerWaalsContact C-N 3.3Å; G142-K144 PolarHBondContact O-N 3.01Å; G142-L145 PolarHBondContact O-N 3Å; G142-G146 PolarHBondContact O-N 3Å |
| 143 | E | 98.4 | Very high | 97.9 | Very high | 132 Ų | 132 | 59 Ų | 59 | 62% | 0.617 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56.6 | -44.3 | 174.3 | -69 | 178.2 | 171.3 | 0 | 0 | 111.7 | E139 K140 G146 E147 | E139-E143 PolarHBondContact O-N 3.44Å; K140-E143 PolarHBondContact O-N 2.97Å; E143-G146 PolarHBondContact O-N 3.37Å; E143-E147 PolarHBondContact O-N 3.08Å |
| 144 | K | 98.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 179.2 | -70.2 | -62.9 | 168.1 | -149.4 | 0 | 113.3 | K140 V141 G142 G146 E147 K148 | K140-K144 WeakPolarHBondContact O-CB 3.29Å; K140-K144 VanDerWaalsContact O-CG 3.3Å; K140-K144 WeakPolarHBondContact O-CG 3.49Å; K140-K144 PolarHBondContact O-N 3.48Å; V141-K144 PolarHBondContact O-N 2.89Å; G142-K144 VanDerWaalsContact C-N 3.3Å; G142-K144 PolarHBondContact O-N 3.01Å; K144-G146 VanDerWaalsContact C-N 3.3Å; K144-G146 PolarHBondContact O-N 3.3Å; K144-E147 WeakPolarHBondContact CD-OE2 3.43Å; K144-E147 IonicContact NZ-OE1 2.64Å; K144-E147 PolarHBondContact NZ-OE1 2.92Å; K144-E147 IonicContact NZ-OE2 2.79Å; K144-E147 PolarHBondContact NZ-OE2 3.41Å; K144-E147 PolarHBondContact O-N 3.06Å; K144-K148 WeakPolarHBondContact O-CG 3.36Å; K144-K148 PolarHBondContact O-N 3.44Å |
| 145 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 172.3 | -72.8 | -176.9 | 0 | 0 | 0 | 111.2 | V10 A20 A23 L24 I60 F62 V141 G142 E147 K148 V149 | V10-L145 HydrophobicContact CG1-CD2 4.29Å; A20-L145 HydrophobicContact CB-CD1 4.38Å; A20-L145 HydrophobicContact CB-CD2 4.2Å; A23-L145 HydrophobicContact CB-CD1 4.26Å; L24-L145 HydrophobicContact CD1-CD2 4.24Å; L24-L145 HydrophobicContact CD2-CD2 4.23Å; L24-L145 HydrophobicContact CG-CD2 4.09Å; I60-L145 HydrophobicContact CD1-CD1 3.86Å; I60-L145 HydrophobicContact CG2-CD1 4.07Å; F62-L145 HydrophobicContact CB-CD1 4.38Å; F62-L145 HydrophobicContact CD1-CB 3.99Å; F62-L145 HydrophobicContact CD1-CD1 3.85Å; F62-L145 HydrophobicContact CD2-CB 4.04Å; F62-L145 HydrophobicContact CE1-CB 3.92Å; F62-L145 HydrophobicContact CE1-CD1 4.37Å; F62-L145 HydrophobicContact CE2-CB 3.99Å; F62-L145 HydrophobicContact CG-CB 4.05Å; F62-L145 HydrophobicContact CG-CD1 4.14Å; F62-L145 HydrophobicContact CZ-CB 3.93Å; V141-L145 HydrophobicContact CG1-CD1 4.45Å; V141-L145 HydrophobicContact CG1-CG 4.38Å; V141-L145 WeakPolarHBondContact O-CG 3.3Å; V141-L145 PolarHBondContact O-N 2.84Å; G142-L145 PolarHBondContact O-N 3Å; L145-E147 PolarHBondContact O-N 3.09Å; L145-K148 PolarHBondContact O-N 3.33Å; L145-K148 VanDerWaalsContact O-N 3.15Å; L145-V149 WeakPolarHBondContact O-CG2 3.33Å; L145-V149 PolarHBondContact O-N 3.3Å |
| 146 | G | 98.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 55.9 Ų | 55.9 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G142 E143 K144 K148 V149 I150 | G142-G146 PolarHBondContact O-N 3Å; E143-G146 PolarHBondContact O-N 3.37Å; K144-G146 VanDerWaalsContact C-N 3.3Å; K144-G146 PolarHBondContact O-N 3.3Å; G146-K148 VanDerWaalsContact C-N 3.33Å; G146-K148 PolarHBondContact O-N 3.17Å; G146-V149 PolarHBondContact O-N 2.84Å; G146-I150 WeakPolarHBondContact O-CG1 3.31Å; G146-I150 PolarHBondContact O-N 3.33Å |
| 147 | E | 98.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 59 Ų | 59 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | 174.1 | -68.5 | 174.4 | -164.4 | 0 | 0 | 112.1 | E143 K144 L145 I150 N151 | E143-E147 PolarHBondContact O-N 3.08Å; K144-E147 WeakPolarHBondContact CD-OE2 3.43Å; K144-E147 IonicContact NZ-OE1 2.64Å; K144-E147 PolarHBondContact NZ-OE1 2.92Å; K144-E147 IonicContact NZ-OE2 2.79Å; K144-E147 PolarHBondContact NZ-OE2 3.41Å; K144-E147 PolarHBondContact O-N 3.06Å; L145-E147 PolarHBondContact O-N 3.09Å; E147-I150 PolarHBondContact O-N 2.97Å; E147-N151 VanDerWaalsContact O-CG 3.25Å; E147-N151 PolarHBondContact O-N 3.34Å; E147-N151 PolarHBondContact O-ND2 3.19Å |
| 148 | K | 98.4 | Very high | 96.8 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 19% | 0.187 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 179.6 | -65.4 | -42.2 | 178.5 | -180 | 0 | 112.8 | L8 E9 V10 L24 K144 L145 G146 I150 N151 V152 | L8-K148 HydrophobicContact CD2-CD 4.29Å; E9-K148 WeakPolarHBondContact O-CE 3.4Å; E9-K148 PolarHBondContact O-NZ 3.47Å; V10-K148 HydrophobicContact CG1-CG 4.17Å; L24-K148 HydrophobicContact CD2-CB 3.64Å; K144-K148 WeakPolarHBondContact O-CG 3.36Å; K144-K148 PolarHBondContact O-N 3.44Å; L145-K148 PolarHBondContact O-N 3.33Å; L145-K148 VanDerWaalsContact O-N 3.15Å; G146-K148 VanDerWaalsContact C-N 3.33Å; G146-K148 PolarHBondContact O-N 3.17Å; K148-I150 VanDerWaalsContact C-N 3.35Å; K148-N151 WeakPolarHBondContact O-CB 3.44Å; K148-N151 PolarHBondContact O-N 3.18Å; K148-V152 WeakPolarHBondContact O-CG2 3.36Å; K148-V152 PolarHBondContact O-N 2.94Å |
| 149 | V | 98.3 | Very high | 95.7 | Very high | 33 Ų | 33 | 71.1 Ų | 71.1 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 174.3 | 166.4 | 0 | 0 | 0 | 0 | 110.5 | L24 T27 F62 L145 G146 N151 V152 V153 | L24-V149 HydrophobicContact CD2-CG2 4.43Å; T27-V149 HydrophobicContact CG2-CG1 4.04Å; T27-V149 HydrophobicContact CG2-CG2 4.25Å; F62-V149 HydrophobicContact CE1-CG2 4.41Å; F62-V149 HydrophobicContact CZ-CG2 3.97Å; L145-V149 WeakPolarHBondContact O-CG2 3.33Å; L145-V149 PolarHBondContact O-N 3.3Å; G146-V149 PolarHBondContact O-N 2.84Å; V149-N151 VanDerWaalsContact C-N 3.34Å; V149-N151 PolarHBondContact O-N 3.34Å; V149-V152 WeakPolarHBondContact O-CB 3.47Å; V149-V152 PolarHBondContact O-N 3.15Å; V149-V153 WeakPolarHBondContact O-CG2 3.47Å; V149-V153 PolarHBondContact O-N 3.25Å |
| 150 | I | 97.9 | Very high | 95 | Very high | 101 Ų | 101 | 70 Ų | 70 | 52% | 0.518 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 174.5 | -67.2 | 167 | 0 | 0 | 0 | 110.3 | G146 E147 K148 V152 V153 E154 | G146-I150 WeakPolarHBondContact O-CG1 3.31Å; G146-I150 PolarHBondContact O-N 3.33Å; E147-I150 PolarHBondContact O-N 2.97Å; K148-I150 VanDerWaalsContact C-N 3.35Å; I150-V152 VanDerWaalsContact C-N 3.31Å; I150-V152 PolarHBondContact O-N 2.85Å; I150-V153 PolarHBondContact O-N 3.25Å; I150-V153 VanDerWaalsContact O-N 3.12Å; I150-E154 HydrophobicContact CG2-CG 4.26Å; I150-E154 WeakPolarHBondContact O-CG 3.13Å; I150-E154 PolarHBondContact O-N 2.94Å |
| 151 | N | 97.1 | Very high | 94.5 | Very high | 60 Ų | 60 | 67.4 Ų | 67.4 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.7 | -42 | 176.9 | -67.5 | -21.4 | 0 | 0 | 0 | 112.4 | E147 K148 V149 E154 V155 | E147-N151 VanDerWaalsContact O-CG 3.25Å; E147-N151 PolarHBondContact O-N 3.34Å; E147-N151 PolarHBondContact O-ND2 3.19Å; K148-N151 WeakPolarHBondContact O-CB 3.44Å; K148-N151 PolarHBondContact O-N 3.18Å; V149-N151 VanDerWaalsContact C-N 3.34Å; V149-N151 PolarHBondContact O-N 3.34Å; N151-E154 PolarHBondContact O-N 2.79Å; N151-V155 WeakPolarHBondContact O-CB 3.41Å; N151-V155 VanDerWaalsContact O-CG2 3.27Å; N151-V155 WeakPolarHBondContact O-CG2 3.38Å; N151-V155 PolarHBondContact O-N 3.35Å |
| 152 | V | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.7 | -49.9 | 175.7 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | L8 T27 I28 W119 K148 V149 I150 E154 V155 I156 | L8-V152 HydrophobicContact CD1-CG2 3.67Å; L8-V152 HydrophobicContact CD2-CG2 4.42Å; T27-V152 HydrophobicContact CG2-CB 4.33Å; T27-V152 HydrophobicContact CG2-CG1 3.95Å; I28-V152 HydrophobicContact CG1-CG1 3.87Å; I28-V152 HydrophobicContact CG1-CG2 4.21Å; W119-V152 HydrophobicContact CE3-CG2 4.37Å; W119-V152 HydrophobicContact CH2-CB 4.29Å; W119-V152 HydrophobicContact CH2-CG1 4.11Å; W119-V152 HydrophobicContact CH2-CG2 4.2Å; W119-V152 HydrophobicContact CZ3-CB 4.34Å; W119-V152 HydrophobicContact CZ3-CG1 4.44Å; W119-V152 HydrophobicContact CZ3-CG2 3.76Å; K148-V152 WeakPolarHBondContact O-CG2 3.36Å; K148-V152 PolarHBondContact O-N 2.94Å; V149-V152 WeakPolarHBondContact O-CB 3.47Å; V149-V152 PolarHBondContact O-N 3.15Å; I150-V152 VanDerWaalsContact C-N 3.31Å; I150-V152 PolarHBondContact O-N 2.85Å; V152-E154 PolarHBondContact O-N 2.93Å; V152-V155 PolarHBondContact O-N 3.07Å; V152-I156 HydrophobicContact CG1-CD1 3.64Å; V152-I156 HydrophobicContact CG1-CG1 4.29Å; V152-I156 WeakPolarHBondContact O-CB 3.3Å; V152-I156 VanDerWaalsContact O-CG1 3.24Å; V152-I156 WeakPolarHBondContact O-CG1 3.44Å; V152-I156 PolarHBondContact O-N 3.04Å |
| 153 | V | 95.5 | Very high | 94 | Very high | 61 Ų | 61 | 71.1 Ų | 71.1 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | -178.9 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | V149 I150 V155 I156 N157 | V149-V153 WeakPolarHBondContact O-CG2 3.47Å; V149-V153 PolarHBondContact O-N 3.25Å; I150-V153 PolarHBondContact O-N 3.25Å; I150-V153 VanDerWaalsContact O-N 3.12Å; V153-V155 PolarHBondContact O-N 3.1Å; V153-I156 PolarHBondContact O-N 3.42Å; V153-N157 VanDerWaalsContact O-CB 3.3Å; V153-N157 WeakPolarHBondContact O-CB 3.36Å; V153-N157 PolarHBondContact O-N 3.48Å |
| 154 | E | 95.4 | Very high | 93.7 | Very high | 116 Ų | 116 | 73.4 Ų | 73.4 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 177.7 | -74.5 | -177.2 | 166.4 | 0 | 0 | 112.5 | I150 N151 V152 N157 | I150-E154 HydrophobicContact CG2-CG 4.26Å; I150-E154 WeakPolarHBondContact O-CG 3.13Å; I150-E154 PolarHBondContact O-N 2.94Å; N151-E154 PolarHBondContact O-N 2.79Å; V152-E154 PolarHBondContact O-N 2.93Å; E154-N157 PolarHBondContact O-N 2.94Å |
| 155 | V | 94.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 73.6 Ų | 73.6 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 177.7 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | E6 W119 N151 V152 V153 N157 R158 | E6-V155 HydrophobicContact CG-CG1 3.76Å; E6-V155 WeakPolarHBondContact OE1-CG1 3.39Å; W119-V155 HydrophobicContact CH2-CB 3.85Å; W119-V155 HydrophobicContact CH2-CG1 3.7Å; W119-V155 HydrophobicContact CZ2-CG1 4Å; N151-V155 WeakPolarHBondContact O-CB 3.41Å; N151-V155 VanDerWaalsContact O-CG2 3.27Å; N151-V155 WeakPolarHBondContact O-CG2 3.38Å; N151-V155 PolarHBondContact O-N 3.35Å; V152-V155 PolarHBondContact O-N 3.07Å; V153-V155 PolarHBondContact O-N 3.1Å; V155-N157 PolarHBondContact O-N 3.36Å; V155-R158 VanDerWaalsContact O-CB 3.27Å; V155-R158 WeakPolarHBondContact O-CB 3.07Å; V155-R158 WeakPolarHBondContact O-CG 3.45Å; V155-R158 PolarHBondContact O-N 3.36Å |
| 156 | I | 93.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 73.9 Ų | 73.9 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -32.7 | 179.2 | -73 | -177.1 | 0 | 0 | 0 | 111.7 | H31 W119 V152 V153 R158 | H31-I156 HydrophobicContact CB-CD1 3.39Å; H31-I156 HydrophobicContact CB-CG2 4.1Å; W119-I156 HydrophobicContact CH2-CG1 4.39Å; W119-I156 HydrophobicContact CZ2-CD1 4.3Å; W119-I156 HydrophobicContact CZ2-CG1 3.87Å; V152-I156 HydrophobicContact CG1-CD1 3.64Å; V152-I156 HydrophobicContact CG1-CG1 4.29Å; V152-I156 WeakPolarHBondContact O-CB 3.3Å; V152-I156 VanDerWaalsContact O-CG1 3.24Å; V152-I156 WeakPolarHBondContact O-CG1 3.44Å; V152-I156 PolarHBondContact O-N 3.04Å; V153-I156 PolarHBondContact O-N 3.42Å; I156-R158 PolarHBondContact O-N 3.24Å |
| 157 | N | 90.1 | Very high | 93.1 | Very high | 135 Ų | 135 | 76.1 Ų | 76.1 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4.2 | 178.7 | -163.8 | 46.7 | 0 | 0 | 0 | 113.7 | V153 E154 V155 | V153-N157 VanDerWaalsContact O-CB 3.3Å; V153-N157 WeakPolarHBondContact O-CB 3.36Å; V153-N157 PolarHBondContact O-N 3.48Å; E154-N157 PolarHBondContact O-N 2.94Å; V155-N157 PolarHBondContact O-N 3.36Å |
| 158 | R | 90.6 | Very high | 92.9 | Very high | 124 Ų | 124 | 77.8 Ų | 77.8 | 47% | 0.468 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -66.5 | 136 | 172 | -62.7 | 174.8 | -177.5 | 169.1 | 3.9 | 109.1 | E6 V155 I156 E160 | E6-R158 IonicContact OE1-NH1 2.76Å; V155-R158 VanDerWaalsContact O-CB 3.27Å; V155-R158 WeakPolarHBondContact O-CB 3.07Å; V155-R158 WeakPolarHBondContact O-CG 3.45Å; V155-R158 PolarHBondContact O-N 3.36Å; I156-R158 PolarHBondContact O-N 3.24Å; R158-E160 HydrophobicContact CB-CG 3.72Å; R158-E160 PolarHBondContact O-N 3.35Å |
| 159 | H | 75.1 | Confident | 92.6 | Very high | 205 Ų | 205 | 80.1 Ų | 80.1 | 95% | 0.949 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -69.3 | 74.3 | 175.9 | -82.9 | 114.8 | 0 | 0 | 0 | 111.2 | ||
| 160 | E | 84.4 | Confident | 92.4 | Very high | 74 Ų | 74 | 83 Ų | 83 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | trans | -121.2 | 174.1 | -176.1 | -61.2 | 179.4 | 129.4 | 0 | 0 | 110.5 | R4 R158 L162 | R4-E160 VanDerWaalsContact CD-OE1 3.29Å; R4-E160 WeakPolarHBondContact CD-OE1 3.36Å; R4-E160 WeakPolarHBondContact CD-OE2 3.3Å; R4-E160 IonicContact CZ-OE2 3.39Å; R4-E160 IonicContact NE-OE1 3.94Å; R4-E160 IonicContact NE-OE2 2.79Å; R4-E160 PolarHBondContact NE-OE2 3.11Å; R4-E160 IonicContact NH1-OE2 3.68Å; R4-E160 VanDerWaalsContact NH2-CB 3.27Å; R4-E160 IonicContact NH2-OE2 3.56Å; R4-E160 PolarHBondContact NH2-OE2 2.86Å; R158-E160 HydrophobicContact CB-CG 3.72Å; R158-E160 PolarHBondContact O-N 3.35Å; E160-L162 PolarHBondContact O-N 3.43Å | ||
| 161 | Y | 88.3 | Confident | 92.3 | Very high | 73 Ų | 73 | 78.8 Ų | 78.8 | 29% | 0.286 | 39% | 0.389 | S | S | . | . | trans | -60.5 | 135.3 | -173.7 | 175.2 | -99.5 | 0 | 0 | 0 | 112.7 | M1 R4 Q101 W116 P163 | M1-Y161 HydrophobicContact CE-CD1 3.76Å; M1-Y161 HydrophobicContact CE-CD2 3.36Å; M1-Y161 HydrophobicContact CE-CE1 3.43Å; M1-Y161 VanDerWaalsContact CE-CE1 3.43Å; M1-Y161 HydrophobicContact CE-CE2 2.99Å; M1-Y161 HydrophobicContact CE-CG 3.7Å; M1-Y161 WeakPolarHBondContact CE-OH 3.32Å; M1-Y161 HydrophobicContact CG-CD1 4.28Å; M1-Y161 HydrophobicContact CG-CE1 4.44Å; M1-Y161 HydrophobicContact SD-CD1 3.5Å; M1-Y161 VanDerWaalsContact SD-CD1 3.5Å; M1-Y161 HydrophobicContact SD-CD2 4.27Å; M1-Y161 HydrophobicContact SD-CE1 3.13Å; M1-Y161 WeakPolarHBondContact SD-CE1 3.41Å; M1-Y161 HydrophobicContact SD-CE2 3.97Å; M1-Y161 HydrophobicContact SD-CG 4.03Å; R4-Y161 PolarHBondContact NH1-O 2.72Å; Q101-Y161 PolarHBondContact OE1-OH 2.95Å; W116-Y161 HydrophobicContact CB-CD1 4.15Å; W116-Y161 HydrophobicContact CB-CE1 4.04Å; W116-Y161 HydrophobicContact CE3-CD1 4.32Å; W116-Y161 HydrophobicContact CG-CE1 4.27Å; Y161-P163 HydrophobicContact CE1-CG 4.2Å; Y161-P163 WeakPolarHBondContact OH-CA 2.78Å | ||
| 162 | L | 92.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 79.6 Ų | 79.6 | 45% | 0.45 | 39% | 0.394 | S | S | . | . | trans | -125.3 | 147.1 | 160.3 | -69 | 175.7 | 0 | 0 | 0 | 109.2 | W116 E160 K164 | W116-L162 HydrophobicContact CH2-CD2 3.85Å; W116-L162 HydrophobicContact CZ3-CD2 3.76Å; E160-L162 PolarHBondContact O-N 3.43Å; L162-K164 PolarHBondContact O-N 2.7Å | ||
| 163 | P | 93.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 80.8 Ų | 80.8 | 3% | 0.032 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 136.8 | 171.6 | -28.7 | 36.4 | 0 | 0 | 0 | 112.7 | Q101 W116 Y161 V174 Y185 | Q101-P163 HydrophobicContact CG-CB 4.19Å; Q101-P163 HydrophobicContact CG-CG 3.97Å; W116-P163 HydrophobicContact CD2-CG 4.09Å; W116-P163 HydrophobicContact CG-CG 4.43Å; W116-P163 HydrophobicContact CZ2-CG 3.86Å; Y161-P163 HydrophobicContact CE1-CG 4.2Å; Y161-P163 WeakPolarHBondContact OH-CA 2.78Å; P163-V174 HydrophobicContact CB-CG1 3.52Å; P163-V174 HydrophobicContact CG-CG1 4.2Å; P163-Y185 HydrophobicContact CB-CD1 4.47Å; P163-Y185 HydrophobicContact CB-CE1 3.87Å; P163-Y185 HydrophobicContact CG-CD1 4Å; P163-Y185 HydrophobicContact CG-CE1 3.69Å |
| 164 | K | 92.9 | Very high | 92.3 | Very high | 179 Ų | 179 | 78.2 Ų | 78.2 | 78% | 0.778 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 145 | 172.9 | -65.9 | -176.4 | 179.3 | -178.6 | 0 | 110 | L162 P166 | L162-K164 PolarHBondContact O-N 2.7Å; K164-P166 WeakPolarHBondContact O-CD 2.87Å |
| 165 | M | 94 | Very high | 92.4 | Very high | 104 Ų | 104 | 72.8 Ų | 72.8 | 51% | 0.512 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 121.1 | 175.4 | -68.9 | -60.6 | 164.6 | 0 | 0 | 109.9 | F37 | F37-M165 HydrophobicContact CE1-SD 4.3Å; F37-M165 HydrophobicContact CZ-SD 3.89Å |
| 166 | P | 94.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 72.7 Ų | 72.7 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 158.4 | -170.5 | 30.9 | -34.2 | 0 | 0 | 0 | 112.2 | Y39 K164 E170 V171 V174 F175 | Y39-P166 PolarHBondContact OH-O 3.02Å; K164-P166 WeakPolarHBondContact O-CD 2.87Å; P166-E170 HydrophobicContact CB-CB 3.92Å; P166-V171 HydrophobicContact CG-CB 4.17Å; P166-V171 HydrophobicContact CG-CG2 4.2Å; P166-V174 HydrophobicContact CB-CG2 4.05Å; P166-V174 HydrophobicContact CG-CB 4.2Å; P166-V174 HydrophobicContact CG-CG2 4.25Å; P166-F175 HydrophobicContact CG-CD2 3.98Å; P166-F175 HydrophobicContact CG-CE2 3.92Å |
| 167 | T | 94 | Very high | 92.7 | Very high | 69 Ų | 69 | 73.7 Ų | 73.7 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 167.8 | 162.3 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | S169 E170 V171 | T167-S169 PolarHBondContact O-N 2.6Å; T167-S169 PolarHBondContact OG1-OG 2.9Å; T167-S169 VanDerWaalsContact OG1-OG 3.06Å; T167-E170 PolarHBondContact N-OE2 2.82Å; T167-E170 PolarHBondContact O-N 2.75Å; T167-E170 VanDerWaalsContact OG1-CD 3.24Å; T167-E170 VanDerWaalsContact OG1-CG 3.32Å; T167-E170 WeakPolarHBondContact OG1-CG 3.43Å; T167-E170 PolarHBondContact OG1-OE2 2.86Å; T167-V171 PolarHBondContact O-N 3.02Å |
| 168 | Q | 94.5 | Very high | 93 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.7 | 176.3 | -172.9 | 175.4 | 3.5 | 0 | 0 | 112.6 | Y39 E170 V171 | Y39-Q168 HydrophobicContact CD1-CB 3.82Å; Y39-Q168 HydrophobicContact CD2-CB 3.97Å; Y39-Q168 HydrophobicContact CD2-CG 3.95Å; Y39-Q168 HydrophobicContact CE1-CB 4.33Å; Y39-Q168 HydrophobicContact CE2-CB 4.46Å; Y39-Q168 HydrophobicContact CG-CB 3.62Å; Y39-Q168 HydrophobicContact CG-CG 3.88Å; Q168-E170 VanDerWaalsContact C-N 3.26Å; Q168-E170 PolarHBondContact O-N 2.84Å; Q168-V171 WeakPolarHBondContact O-CG1 3.16Å |
| 169 | S | 92.8 | Very high | 93.3 | Very high | 92 Ų | 92 | 64.8 Ų | 64.8 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11.8 | 178.9 | 45.2 | 0 | 0 | 0 | 0 | 114.6 | T167 | T167-S169 PolarHBondContact O-N 2.6Å; T167-S169 PolarHBondContact OG1-OG 2.9Å; T167-S169 VanDerWaalsContact OG1-OG 3.06Å |
| 170 | E | 93.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 62.1 Ų | 62.1 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -4.2 | -173.1 | -65 | 169.2 | 146.1 | 0 | 0 | 112.6 | P166 T167 Q168 D172 N173 | P166-E170 HydrophobicContact CB-CB 3.92Å; T167-E170 PolarHBondContact N-OE2 2.82Å; T167-E170 PolarHBondContact O-N 2.75Å; T167-E170 VanDerWaalsContact OG1-CD 3.24Å; T167-E170 VanDerWaalsContact OG1-CG 3.32Å; T167-E170 WeakPolarHBondContact OG1-CG 3.43Å; T167-E170 PolarHBondContact OG1-OE2 2.86Å; Q168-E170 VanDerWaalsContact C-N 3.26Å; Q168-E170 PolarHBondContact O-N 2.84Å; E170-D172 PolarHBondContact O-N 2.92Å; E170-N173 WeakPolarHBondContact O-CA 3.27Å; E170-N173 VanDerWaalsContact O-CB 3.23Å; E170-N173 WeakPolarHBondContact O-CB 3.49Å; E170-N173 PolarHBondContact O-N 3.43Å |
| 171 | V | 95.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -56.5 | -39.9 | -176.6 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | Y39 P166 T167 Q168 N173 V174 F175 T177 Q183 | Y39-V171 HydrophobicContact CE2-CB 4.07Å; Y39-V171 HydrophobicContact CE2-CG1 4.45Å; Y39-V171 HydrophobicContact CE2-CG2 4.09Å; P166-V171 HydrophobicContact CG-CB 4.17Å; P166-V171 HydrophobicContact CG-CG2 4.2Å; T167-V171 PolarHBondContact O-N 3.02Å; Q168-V171 WeakPolarHBondContact O-CG1 3.16Å; V171-N173 PolarHBondContact O-N 2.65Å; V171-V174 PolarHBondContact O-N 2.71Å; V171-V174 VanDerWaalsContact O-N 3.09Å; V171-F175 HydrophobicContact CG2-CD2 4.22Å; V171-F175 PolarHBondContact O-N 2.8Å; V171-T177 HydrophobicContact CG1-CG2 4.04Å; V171-T177 HydrophobicContact CG2-CG2 3.94Å; V171-Q183 VanDerWaalsContact CG2-NE2 3.25Å |
| 172 | D | 95.7 | Very high | 95.1 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -72.3 | -7 | 178.5 | -60.3 | -37.6 | 0 | 0 | 0 | 114.2 | K102 E170 T177 | K102-D172 PolarHBondContact NZ-O 2.95Å; E170-D172 PolarHBondContact O-N 2.92Å; D172-T177 WeakPolarHBondContact OD1-CB 3.24Å; D172-T177 WeakPolarHBondContact OD1-CG2 3.4Å; D172-T177 PolarHBondContact OD1-OG1 2.74Å |
| 173 | N | 95.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -89.9 | -12.2 | 173.1 | -58.6 | -30.2 | 0 | 0 | 0 | 112.4 | Q101 K102 E170 V171 L186 | Q101-N173 CarbonylContact C-O 3.56Å; Q101-N173 VanDerWaalsContact CA-O 3.31Å; Q101-N173 WeakPolarHBondContact CA-O 3.45Å; K102-N173 HydrophobicContact CB-CB 4.17Å; K102-N173 PolarHBondContact N-O 2.63Å; K102-N173 WeakPolarHBondContact O-CB 3.31Å; E170-N173 WeakPolarHBondContact O-CA 3.27Å; E170-N173 VanDerWaalsContact O-CB 3.23Å; E170-N173 WeakPolarHBondContact O-CB 3.49Å; E170-N173 PolarHBondContact O-N 3.43Å; V171-N173 PolarHBondContact O-N 2.65Å; N173-L186 VanDerWaalsContact C-CD1 3.49Å; N173-L186 WeakPolarHBondContact O-CD1 3.32Å |
| 174 | V | 97.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -41.1 | -174.8 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | P163 P166 V171 Y185 L186 | P163-V174 HydrophobicContact CB-CG1 3.52Å; P163-V174 HydrophobicContact CG-CG1 4.2Å; P166-V174 HydrophobicContact CB-CG2 4.05Å; P166-V174 HydrophobicContact CG-CB 4.2Å; P166-V174 HydrophobicContact CG-CG2 4.25Å; V171-V174 PolarHBondContact O-N 2.71Å; V171-V174 VanDerWaalsContact O-N 3.09Å; V174-Y185 HydrophobicContact CG1-CD1 3.73Å; V174-Y185 HydrophobicContact CG1-CE1 3.68Å; V174-Y185 WeakPolarHBondContact O-CA 3.43Å; V174-L186 PolarHBondContact O-N 3.42Å |
| 175 | F | 98.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -120 | 153.1 | -174.8 | -64 | -78.9 | 0 | 0 | 0 | 112.2 | T34 F37 P166 V171 T177 Q183 P184 Y185 | T34-F175 HydrophobicContact CG2-CD1 4.25Å; T34-F175 HydrophobicContact CG2-CE1 3.78Å; T34-F175 HydrophobicContact CG2-CZ 4.22Å; F37-F175 HydrophobicContact CE2-CD2 4.14Å; F37-F175 AromaticContact CE2-CE2 3.81Å; F37-F175 HydrophobicContact CE2-CE2 3.81Å; F37-F175 HydrophobicContact CE2-CZ 4.05Å; F37-F175 AromaticContact CZ-CE2 3.9Å; F37-F175 HydrophobicContact CZ-CE2 3.9Å; F37-F175 HydrophobicContact CZ-CZ 4.18Å; P166-F175 HydrophobicContact CG-CD2 3.98Å; P166-F175 HydrophobicContact CG-CE2 3.92Å; V171-F175 HydrophobicContact CG2-CD2 4.22Å; V171-F175 PolarHBondContact O-N 2.8Å; F175-T177 PolarHBondContact O-N 3.05Å; F175-Q183 HydrophobicContact CB-CG 3.54Å; F175-Q183 HydrophobicContact CD1-CG 4.18Å; F175-Q183 HydrophobicContact CG-CG 4Å; F175-P184 CarbonylContact C-O 3.5Å; F175-P184 VanDerWaalsContact CA-O 3.32Å; F175-P184 WeakPolarHBondContact CA-O 3.48Å; F175-Y185 AromaticContact CD1-CD1 3.85Å; F175-Y185 HydrophobicContact CD1-CD1 3.85Å; F175-Y185 HydrophobicContact CD1-CE1 4.18Å; F175-Y185 HydrophobicContact CD1-CG 4.24Å; F175-Y185 AromaticContact CE1-CD1 3.47Å; F175-Y185 HydrophobicContact CE1-CD1 3.47Å; F175-Y185 VanDerWaalsContact CE1-CD1 3.47Å; F175-Y185 HydrophobicContact CE1-CD2 4.31Å; F175-Y185 AromaticContact CE1-CE1 3.35Å; F175-Y185 HydrophobicContact CE1-CE1 3.35Å; F175-Y185 HydrophobicContact CE1-CE2 4.23Å; F175-Y185 AromaticContact CE1-CG 3.96Å; F175-Y185 HydrophobicContact CE1-CG 3.96Å; F175-Y185 AromaticContact CE1-CZ 3.77Å; F175-Y185 HydrophobicContact CE2-CE1 4.31Å; F175-Y185 AromaticContact CZ-CD1 3.96Å; F175-Y185 HydrophobicContact CZ-CD1 3.96Å; F175-Y185 AromaticContact CZ-CE1 3.43Å; F175-Y185 HydrophobicContact CZ-CE1 3.43Å; F175-Y185 VanDerWaalsContact CZ-CE1 3.43Å; F175-Y185 AromaticContact CZ-CZ 3.91Å |
| 176 | D | 97.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | trans | -82.6 | 104.6 | 166.6 | -170.2 | -10.5 | 0 | 0 | 0 | 110 | S178 P184 L186 R207 | D176-S178 VanDerWaalsContact C-N 3.35Å; D176-S178 PolarHBondContact OD1-N 3.12Å; D176-S178 VanDerWaalsContact OD1-N 3.15Å; D176-S178 PolarHBondContact OD1-OG 3.45Å; D176-S178 VanDerWaalsContact OD1-OG 3.12Å; D176-P184 HydrophobicContact CB-CG 3.99Å; D176-P184 PolarHBondContact N-O 2.97Å; D176-L186 HydrophobicContact CB-CD2 4.29Å; D176-R207 IonicContact OD1-CZ 2.75Å; D176-R207 VanDerWaalsContact OD1-CZ 3.23Å; D176-R207 IonicContact OD1-NH1 3.72Å; D176-R207 PolarHBondContact OD1-NH1 3.05Å; D176-R207 IonicContact OD1-NH2 3.02Å; D176-R207 PolarHBondContact OD1-NH2 2.95Å; D176-R207 IonicContact OD2-CZ 3.51Å; D176-R207 IonicContact OD2-NE 3.23Å; D176-R207 IonicContact OD2-NH1 3.93Å; D176-R207 PolarHBondContact OD2-NH1 3.15Å; D176-R207 IonicContact OD2-NH2 2.6Å | ||
| 177 | T | 96.9 | Very high | 96.3 | Very high | 49 Ų | 49 | 43.8 Ų | 43.8 | 30% | 0.301 | 23% | 0.234 | S | C | . | . | trans | -87.5 | -3.2 | -176.3 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | K36 V171 D172 F175 | K36-T177 PolarHBondContact NZ-O 3.5Å; V171-T177 HydrophobicContact CG1-CG2 4.04Å; V171-T177 HydrophobicContact CG2-CG2 3.94Å; D172-T177 WeakPolarHBondContact OD1-CB 3.24Å; D172-T177 WeakPolarHBondContact OD1-CG2 3.4Å; D172-T177 PolarHBondContact OD1-OG1 2.74Å; F175-T177 PolarHBondContact O-N 3.05Å | ||
| 178 | S | 96.4 | Very high | 96.4 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | trans | -80.2 | -19.3 | -171.2 | 84.1 | 0 | 0 | 0 | 0 | 114.4 | D176 R207 | D176-S178 VanDerWaalsContact C-N 3.35Å; D176-S178 PolarHBondContact OD1-N 3.12Å; D176-S178 VanDerWaalsContact OD1-N 3.15Å; D176-S178 PolarHBondContact OD1-OG 3.45Å; D176-S178 VanDerWaalsContact OD1-OG 3.12Å; S178-R207 VanDerWaalsContact OG-CZ 3.28Å; S178-R207 PolarHBondContact OG-NH1 3.44Å; S178-R207 PolarHBondContact OG-NH2 2.57Å | ||
| 179 | L | 95.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | trans | -81.2 | 143.9 | -178 | -55.5 | -177.4 | 0 | 0 | 0 | 110.4 | K36 E71 L72 V182 P184 | K36-L179 PolarHBondContact NZ-O 3.42Å; E71-L179 HydrophobicContact CB-CD2 3.86Å; L72-L179 HydrophobicContact CB-CD1 4.06Å; L72-L179 HydrophobicContact CD1-CD1 4.18Å; L179-V182 HydrophobicContact CB-CG1 4.24Å; L179-V182 WeakPolarHBondContact CB-O 3.07Å; L179-V182 HydrophobicContact CD1-CG1 3.87Å; L179-P184 HydrophobicContact CD1-CG 3.92Å | ||
| 180 | K | 94.5 | Very high | 96.8 | Very high | 149 Ų | 149 | 34.9 Ų | 34.9 | 65% | 0.648 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -78.6 | -34.5 | -173.1 | -67.5 | 176.1 | -172.4 | 156.9 | 0 | 114.9 | K36 E71 | K36-K180 WeakPolarHBondContact CD-O 3.09Å; E71-K180 WeakPolarHBondContact OE1-CE 3.27Å; E71-K180 IonicContact OE1-NZ 2.85Å; E71-K180 PolarHBondContact OE1-NZ 2.75Å; E71-K180 PolarHBondContact OE2-N 3.06Å |
| 181 | D | 94.1 | Very high | 96.9 | Very high | 86 Ų | 86 | 31.8 Ų | 31.8 | 46% | 0.46 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -105 | -20.6 | -168.5 | -45.7 | -60.3 | 0 | 0 | 0 | 113 | ||
| 182 | V | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -143.2 | 158.4 | -172 | 63.8 | 0 | 0 | 0 | 0 | 110 | S33 V67 L72 L179 | S33-V182 VanDerWaalsContact CB-CG2 3.46Å; V67-V182 HydrophobicContact CG1-CB 3.85Å; V67-V182 HydrophobicContact CG1-CG1 4.3Å; V67-V182 HydrophobicContact CG1-CG2 3.78Å; L72-V182 HydrophobicContact CB-CG1 4.39Å; L72-V182 HydrophobicContact CD2-CG1 4.21Å; L179-V182 HydrophobicContact CB-CG1 4.24Å; L179-V182 WeakPolarHBondContact CB-O 3.07Å; L179-V182 HydrophobicContact CD1-CG1 3.87Å | ||
| 183 | Q | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.019 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 86.4 | 175 | -175.5 | 160.4 | -40 | 0 | 0 | 109.7 | T34 K36 V171 F175 | T34-Q183 WeakPolarHBondContact CG2-O 3.4Å; T34-Q183 PolarHBondContact N-O 3.48Å; T34-Q183 VanDerWaalsContact N-O 3.09Å; T34-Q183 PolarHBondContact O-N 3.32Å; K36-Q183 HydrophobicContact CG-CB 4.43Å; V171-Q183 VanDerWaalsContact CG2-NE2 3.25Å; F175-Q183 HydrophobicContact CB-CG 3.54Å; F175-Q183 HydrophobicContact CD1-CG 4.18Å; F175-Q183 HydrophobicContact CG-CG 4Å |
| 184 | P | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 155.6 | 175.2 | 28 | -30 | 0 | 0 | 0 | 110.9 | R32 S33 F175 D176 L179 Y187 | R32-P184 WeakPolarHBondContact O-CA 3.45Å; S33-P184 WeakPolarHBondContact OG-CB 3.35Å; F175-P184 CarbonylContact C-O 3.5Å; F175-P184 VanDerWaalsContact CA-O 3.32Å; F175-P184 WeakPolarHBondContact CA-O 3.48Å; D176-P184 HydrophobicContact CB-CG 3.99Å; D176-P184 PolarHBondContact N-O 2.97Å; L179-P184 HydrophobicContact CD1-CG 3.92Å; P184-Y187 HydrophobicContact CB-CD1 4.28Å; P184-Y187 HydrophobicContact CB-CE1 4.3Å; P184-Y187 HydrophobicContact CG-CD1 4.31Å; P184-Y187 HydrophobicContact CG-CE1 3.93Å |
| 185 | Y | 98.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -54.3 | 151.2 | 160.7 | -75.9 | -69.4 | 0 | 0 | 0 | 109.7 | R32 W116 P163 V174 F175 Y187 | R32-Y185 HydrophobicContact CB-CD2 4.15Å; R32-Y185 WeakPolarHBondContact O-CD2 3.4Å; R32-Y185 PolarHBondContact O-N 3.19Å; W116-Y185 HydrophobicContact CH2-CD2 4.07Å; W116-Y185 HydrophobicContact CH2-CE2 4.22Å; W116-Y185 HydrophobicContact CH2-CG 4.37Å; W116-Y185 HydrophobicContact CZ2-CD1 4.01Å; W116-Y185 AromaticContact CZ2-CD2 3.87Å; W116-Y185 HydrophobicContact CZ2-CD2 3.87Å; W116-Y185 HydrophobicContact CZ2-CE1 4.45Å; W116-Y185 HydrophobicContact CZ2-CE2 4.31Å; W116-Y185 AromaticContact CZ2-CG 3.71Å; W116-Y185 HydrophobicContact CZ2-CG 3.71Å; P163-Y185 HydrophobicContact CB-CD1 4.47Å; P163-Y185 HydrophobicContact CB-CE1 3.87Å; P163-Y185 HydrophobicContact CG-CD1 4Å; P163-Y185 HydrophobicContact CG-CE1 3.69Å; V174-Y185 HydrophobicContact CG1-CD1 3.73Å; V174-Y185 HydrophobicContact CG1-CE1 3.68Å; V174-Y185 WeakPolarHBondContact O-CA 3.43Å; F175-Y185 AromaticContact CD1-CD1 3.85Å; F175-Y185 HydrophobicContact CD1-CD1 3.85Å; F175-Y185 HydrophobicContact CD1-CE1 4.18Å; F175-Y185 HydrophobicContact CD1-CG 4.24Å; F175-Y185 AromaticContact CE1-CD1 3.47Å; F175-Y185 HydrophobicContact CE1-CD1 3.47Å; F175-Y185 VanDerWaalsContact CE1-CD1 3.47Å; F175-Y185 HydrophobicContact CE1-CD2 4.31Å; F175-Y185 AromaticContact CE1-CE1 3.35Å; F175-Y185 HydrophobicContact CE1-CE1 3.35Å; F175-Y185 HydrophobicContact CE1-CE2 4.23Å; F175-Y185 AromaticContact CE1-CG 3.96Å; F175-Y185 HydrophobicContact CE1-CG 3.96Å; F175-Y185 AromaticContact CE1-CZ 3.77Å; F175-Y185 HydrophobicContact CE2-CE1 4.31Å; F175-Y185 AromaticContact CZ-CD1 3.96Å; F175-Y185 HydrophobicContact CZ-CD1 3.96Å; F175-Y185 AromaticContact CZ-CE1 3.43Å; F175-Y185 HydrophobicContact CZ-CE1 3.43Å; F175-Y185 VanDerWaalsContact CZ-CE1 3.43Å; F175-Y185 AromaticContact CZ-CZ 3.91Å; Y185-Y187 WeakPolarHBondContact O-CD1 3.07Å; Y185-Y187 PolarHBondContact O-N 3.04Å |
| 186 | L | 98.2 | Very high | 92.6 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 126.7 | 173.8 | -70.2 | 172.4 | 0 | 0 | 0 | 109.8 | F99 Y100 K102 N173 V174 D176 | F99-L186 VanDerWaalsContact CA-O 3.3Å; F99-L186 WeakPolarHBondContact CA-O 3.35Å; Y100-L186 HydrophobicContact CD1-CB 4.31Å; Y100-L186 HydrophobicContact CD2-CB 4.18Å; Y100-L186 HydrophobicContact CD2-CD1 4.32Å; Y100-L186 HydrophobicContact CE1-CB 4.02Å; Y100-L186 HydrophobicContact CE2-CB 3.88Å; Y100-L186 HydrophobicContact CE2-CD1 3.87Å; Y100-L186 HydrophobicContact CE2-CG 4.42Å; Y100-L186 HydrophobicContact CG-CB 4.37Å; Y100-L186 PolarHBondContact N-O 3.36Å; Y100-L186 WeakPolarHBondContact O-CB 3.34Å; K102-L186 HydrophobicContact CD-CD1 4.06Å; K102-L186 HydrophobicContact CG-CD1 3.83Å; N173-L186 VanDerWaalsContact C-CD1 3.49Å; N173-L186 WeakPolarHBondContact O-CD1 3.32Å; V174-L186 PolarHBondContact O-N 3.42Å; D176-L186 HydrophobicContact CB-CD2 4.29Å |
| 187 | Y | 98.3 | Very high | 90.6 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158.4 | -177.3 | 72.2 | -83.9 | 0 | 0 | 0 | 112 | L29 L72 V75 I76 L97 E98 P184 Y185 I189 | L29-Y187 HydrophobicContact CD2-CD1 4.44Å; L72-Y187 HydrophobicContact CD1-CE1 4.22Å; L72-Y187 VanDerWaalsContact CD1-OH 3.3Å; L72-Y187 WeakPolarHBondContact CD1-OH 3.03Å; V75-Y187 WeakPolarHBondContact CG1-OH 3.23Å; I76-Y187 HydrophobicContact CD1-CE2 4.09Å; L97-Y187 HydrophobicContact CD1-CD2 3.56Å; L97-Y187 HydrophobicContact CD1-CE2 4.46Å; L97-Y187 HydrophobicContact CD1-CG 4.02Å; E98-Y187 CarbonylContact O-C 3.55Å; E98-Y187 WeakPolarHBondContact O-CA 3.48Å; P184-Y187 HydrophobicContact CB-CD1 4.28Å; P184-Y187 HydrophobicContact CB-CE1 4.3Å; P184-Y187 HydrophobicContact CG-CD1 4.31Å; P184-Y187 HydrophobicContact CG-CE1 3.93Å; Y185-Y187 WeakPolarHBondContact O-CD1 3.07Å; Y185-Y187 PolarHBondContact O-N 3.04Å; Y187-I189 HydrophobicContact CD2-CD1 4.25Å; Y187-I189 HydrophobicContact CD2-CG1 3.95Å; Y187-I189 HydrophobicContact CE2-CD1 3.86Å; Y187-I189 HydrophobicContact CE2-CG1 4.02Å |
| 188 | K | 96.6 | Very high | 88.6 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146 | 167 | 70.9 | -179.3 | -156.8 | -149.8 | 0 | 109.2 | E98 Y100 | E98-K188 HydrophobicContact CB-CD 4.41Å; E98-K188 HydrophobicContact CB-CG 3.83Å; E98-K188 HydrophobicContact CG-CG 4.34Å; E98-K188 PolarHBondContact N-O 3.19Å; E98-K188 PolarHBondContact O-N 3.09Å; E98-K188 WeakPolarHBondContact OE1-CD 3.42Å; E98-K188 WeakPolarHBondContact OE1-CE 3.49Å; E98-K188 IonicContact OE1-NZ 2.71Å; E98-K188 PolarHBondContact OE1-NZ 3.42Å; E98-K188 WeakPolarHBondContact OE2-CE 3.4Å; E98-K188 IonicContact OE2-NZ 3.59Å; E98-K188 PolarHBondContact OE2-NZ 2.92Å; Y100-K188 HydrophobicContact CE1-CB 4.37Å |
| 189 | I | 97.6 | Very high | 86.5 | Confident | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.062 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.7 | 176.1 | -59.2 | 176.2 | 0 | 0 | 0 | 108 | I76 A79 I95 S96 L97 Y187 M205 | I76-I189 HydrophobicContact CD1-CD1 3.48Å; I76-I189 VanDerWaalsContact CD1-CD1 3.48Å; A79-I189 HydrophobicContact CB-CB 4.34Å; A79-I189 HydrophobicContact CB-CD1 4.3Å; A79-I189 HydrophobicContact CB-CG2 3.85Å; I95-I189 HydrophobicContact CD1-CG2 3.69Å; I95-I189 HydrophobicContact CG1-CG2 3.62Å; S96-I189 CarbonylContact O-C 3.52Å; S96-I189 VanDerWaalsContact O-CA 3.31Å; S96-I189 WeakPolarHBondContact O-CA 3.46Å; L97-I189 HydrophobicContact CD1-CD1 4.36Å; L97-I189 HydrophobicContact CD1-CG1 3.8Å; Y187-I189 HydrophobicContact CD2-CD1 4.25Å; Y187-I189 HydrophobicContact CD2-CG1 3.95Å; Y187-I189 HydrophobicContact CE2-CD1 3.86Å; Y187-I189 HydrophobicContact CE2-CG1 4.02Å; I189-M205 VanDerWaalsContact O-CA 3.27Å; I189-M205 WeakPolarHBondContact O-CA 3.43Å; I189-M205 PolarHBondContact O-N 2.95Å |
| 190 | T | 96.9 | Very high | 84.6 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 10% | 0.104 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151.3 | 176.4 | 58.7 | 0 | 0 | 0 | 0 | 109.1 | I95 S96 T204 | I95-T190 CarbonylContact C-O 3.56Å; S96-T190 PolarHBondContact N-O 3.34Å; S96-T190 PolarHBondContact O-N 3.05Å; T190-T204 HydrophobicContact CG2-CG2 3.89Å |
| 191 | Y | 96.5 | Very high | 83.2 | Confident | 27 Ų | 27 | 51.6 Ų | 51.6 | 11% | 0.106 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 157.3 | 173.7 | 68.7 | -98.3 | 0 | 0 | 0 | 112.3 | E82 F83 A86 Q94 I193 T203 M205 | E82-Y191 HydrophobicContact CB-CE1 4.27Å; F83-Y191 HydrophobicContact CB-CD1 4.01Å; F83-Y191 HydrophobicContact CB-CD2 4.48Å; F83-Y191 HydrophobicContact CB-CG 3.96Å; F83-Y191 VanDerWaalsContact CD2-CB 3.49Å; F83-Y191 AromaticContact CD2-CD2 3.8Å; F83-Y191 HydrophobicContact CD2-CD2 3.8Å; F83-Y191 AromaticContact CD2-CG 3.73Å; F83-Y191 HydrophobicContact CD2-CG 3.73Å; F83-Y191 HydrophobicContact CG-CG 4.29Å; A86-Y191 HydrophobicContact CB-CE2 3.8Å; Q94-Y191 CarbonylContact O-C 3.38Å; Q94-Y191 WeakPolarHBondContact O-CA 3.44Å; Q94-Y191 WeakPolarHBondContact O-CB 3.28Å; Y191-I193 HydrophobicContact CD2-CD1 4.22Å; Y191-I193 HydrophobicContact CD2-CG1 4.36Å; Y191-I193 HydrophobicContact CE2-CG1 4.42Å; Y191-T203 HydrophobicContact CE1-CG2 4.39Å; Y191-T203 PolarHBondContact N-O 3.24Å; Y191-T203 PolarHBondContact O-N 3.28Å; Y191-T203 VanDerWaalsContact O-N 3.07Å; Y191-M205 HydrophobicContact CE1-CE 3.99Å |
| 192 | Q | 93.7 | Very high | 81.9 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137 | 177.1 | -67.4 | 177 | 0.9 | 0 | 0 | 108.7 | G93 Q94 V201 | G93-Q192 CarbonylContact C-O 3.55Å; G93-Q192 VanDerWaalsContact CA-O 3.25Å; G93-Q192 WeakPolarHBondContact CA-O 3.2Å; Q94-Q192 PolarHBondContact N-O 2.99Å; Q94-Q192 PolarHBondContact O-N 2.8Å; Q192-V201 WeakPolarHBondContact CA-O 3.32Å |
| 193 | I | 92.4 | Very high | 80.6 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.8 | 170.5 | -51.6 | -59.1 | 0 | 0 | 0 | 107.5 | F83 A86 L87 Y191 S200 V201 | F83-I193 HydrophobicContact CD2-CD1 3.85Å; F83-I193 HydrophobicContact CE2-CD1 3.72Å; A86-I193 HydrophobicContact CB-CD1 4.01Å; A86-I193 HydrophobicContact CB-CG1 3.94Å; L87-I193 HydrophobicContact CB-CD1 4.3Å; L87-I193 HydrophobicContact CD1-CD1 3.96Å; L87-I193 HydrophobicContact CD1-CG2 4.48Å; Y191-I193 HydrophobicContact CD2-CD1 4.22Å; Y191-I193 HydrophobicContact CD2-CG1 4.36Å; Y191-I193 HydrophobicContact CE2-CG1 4.42Å; I193-S200 WeakPolarHBondContact O-CA 3.34Å; I193-V201 PolarHBondContact N-O 2.91Å; I193-V201 PolarHBondContact O-N 3.32Å |
| 194 | T | 84.9 | Confident | 78.7 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 109.6 | 173.9 | -52.5 | 0 | 0 | 0 | 0 | 107.4 | M92 | M92-T194 PolarHBondContact O-N 3.15Å |
| 195 | D | 64.9 | Low | 76.4 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | trans | -71.5 | 154.8 | 173.3 | -167.1 | -0.2 | 0 | 0 | 0 | 110.1 | L197 G198 T199 | D195-L197 PolarHBondContact O-N 2.85Å; D195-G198 PolarHBondContact O-N 2.83Å; D195-T199 PolarHBondContact N-O 2.86Å | ||
| 196 | S | 55.8 | Low | 73.8 | Confident | 117 Ų | 117 | 68.6 Ų | 68.6 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -23.7 | 171.3 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 197 | L | 57.3 | Low | 71 | Confident | 147 Ų | 147 | 73.8 Ų | 73.8 | 77% | 0.77 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.8 | 176.5 | -69.9 | 161.6 | 0 | 0 | 0 | 114.3 | D195 T199 | D195-L197 PolarHBondContact O-N 2.85Å; L197-T199 VanDerWaalsContact C-N 3.34Å; L197-T199 PolarHBondContact O-N 3.39Å |
| 198 | G | 53.7 | Low | 68 | Low | 62 Ų | 62 | 80.6 Ų | 80.6 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 82 | 1.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D195 | D195-G198 PolarHBondContact O-N 2.83Š|
| 199 | T | 52.8 | Low | 65.4 | Low | 93 Ų | 93 | 81.9 Ų | 81.9 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | trans | -78.5 | 128.2 | 173 | 16.7 | 0 | 0 | 0 | 0 | 111 | D195 L197 | D195-T199 PolarHBondContact N-O 2.86Å; L197-T199 VanDerWaalsContact C-N 3.34Å; L197-T199 PolarHBondContact O-N 3.39Å | ||
| 200 | S | 56 | Low | 62.3 | Low | 67 Ų | 67 | 90.3 Ų | 90.3 | 47% | 0.469 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.3 | 178.1 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | I193 | I193-S200 WeakPolarHBondContact O-CA 3.34Å |
| 201 | V | 64.1 | Low | 59.2 | Low | 101 Ų | 101 | 96.4 Ų | 96.4 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.2 | 169.1 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | Q192 I193 | Q192-V201 WeakPolarHBondContact CA-O 3.32Å; I193-V201 PolarHBondContact N-O 2.91Å; I193-V201 PolarHBondContact O-N 3.32Å |
| 202 | S | 67.6 | Low | 56.1 | Low | 68 Ų | 68 | 101 Ų | 101 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.2 | -178.8 | -176 | 0 | 0 | 0 | 0 | 110.6 | ||
| 203 | T | 69.3 | Low | 53.4 | Low | 54 Ų | 54 | 106 Ų | 106 | 33% | 0.331 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.4 | 175.9 | -51.8 | 0 | 0 | 0 | 0 | 109.7 | Y191 | Y191-T203 HydrophobicContact CE1-CG2 4.39Å; Y191-T203 PolarHBondContact N-O 3.24Å; Y191-T203 PolarHBondContact O-N 3.28Å; Y191-T203 VanDerWaalsContact O-N 3.07Å |
| 204 | T | 58.5 | Low | 50.5 | Low | 79 Ų | 79 | 108.4 Ų | 108.4 | 49% | 0.485 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 107.5 | -176.6 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | T190 R206 | T190-T204 HydrophobicContact CG2-CG2 3.89Å; T204-R206 HydrophobicContact CG2-CG 4.03Å; T204-R206 PolarHBondContact O-N 3.07Å; T204-R206 VanDerWaalsContact O-N 3.15Å |
| 205 | M | 51.1 | Low | 47.9 | Very low | 60 Ų | 60 | 117.5 Ų | 117.5 | 30% | 0.296 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -53.3 | 72.4 | 156.9 | -46.9 | 171.6 | -90.2 | 0 | 0 | 119 | E82 I189 Y191 | E82-M205 HydrophobicContact CB-CE 3.98Å; E82-M205 HydrophobicContact CG-CE 4.18Å; E82-M205 WeakPolarHBondContact OE2-CE 3.34Å; I189-M205 VanDerWaalsContact O-CA 3.27Å; I189-M205 WeakPolarHBondContact O-CA 3.43Å; I189-M205 PolarHBondContact O-N 2.95Å; Y191-M205 HydrophobicContact CE1-CE 3.99Å |
| 206 | R | 43.1 | Very low | 47.1 | Very low | 206 Ų | 206 | 119.6 Ų | 119.6 | 78% | 0.777 | 66% | 0.663 | S | S | * | * | trans | -90.4 | 121.2 | 169.4 | -75.8 | -168.3 | -172.6 | -171.4 | 2.7 | 110.7 | T204 L208 | T204-R206 HydrophobicContact CG2-CG 4.03Å; T204-R206 PolarHBondContact O-N 3.07Å; T204-R206 VanDerWaalsContact O-N 3.15Å; R206-L208 PolarHBondContact O-N 2.97Å | ||
| 207 | R | 40.7 | Very low | 46.6 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 44% | 0.438 | 66% | 0.655 | S | S | . | * | trans | -59.9 | 106.9 | 164.8 | -167.9 | 175.7 | 99.4 | 157.7 | 1.8 | 108.1 | D176 S178 I209 | D176-R207 IonicContact OD1-CZ 2.75Å; D176-R207 VanDerWaalsContact OD1-CZ 3.23Å; D176-R207 IonicContact OD1-NH1 3.72Å; D176-R207 PolarHBondContact OD1-NH1 3.05Å; D176-R207 IonicContact OD1-NH2 3.02Å; D176-R207 PolarHBondContact OD1-NH2 2.95Å; D176-R207 IonicContact OD2-CZ 3.51Å; D176-R207 IonicContact OD2-NE 3.23Å; D176-R207 IonicContact OD2-NH1 3.93Å; D176-R207 PolarHBondContact OD2-NH1 3.15Å; D176-R207 IonicContact OD2-NH2 2.6Å; S178-R207 VanDerWaalsContact OG-CZ 3.28Å; S178-R207 PolarHBondContact OG-NH1 3.44Å; S178-R207 PolarHBondContact OG-NH2 2.57Å; R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.21Å | ||
| 208 | L | 33.6 | Very low | 46 | Very low | 169 Ų | 169 | 118.2 Ų | 118.2 | 89% | 0.885 | 65% | 0.648 | S | S | * | * | trans | -66.7 | 95.6 | 169.8 | -79.7 | 161.7 | 0 | 0 | 0 | 107.7 | R206 K210 | R206-L208 PolarHBondContact O-N 2.97Å; L208-K210 PolarHBondContact O-N 2.93Å | ||
| 209 | I | 42.3 | Very low | 45.6 | Very low | 92 Ų | 92 | 121.5 Ų | 121.5 | 47% | 0.472 | 65% | 0.649 | S | S | . | * | trans | -71.4 | 117.1 | 162.2 | -60.2 | 175.5 | 0 | 0 | 0 | 104.9 | R207 D211 | R207-I209 VanDerWaalsContact C-N 3.34Å; R207-I209 PolarHBondContact O-N 3.21Å; I209-D211 VanDerWaalsContact C-N 3.34Å; I209-D211 PolarHBondContact O-N 3.01Å | ||
| 210 | K | 32.7 | Very low | 45.1 | Very low | 189 Ų | 189 | 123.3 Ų | 123.3 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | trans | -62.9 | 96.3 | 176.6 | -163 | 178 | -175.2 | -177.2 | 0 | 107.4 | L208 T212 | L208-K210 PolarHBondContact O-N 2.93Å; K210-T212 PolarHBondContact O-N 3.06Å | ||
| 211 | D | 32.2 | Very low | 44.4 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | trans | -54.5 | 112.9 | 162.9 | -82 | -26.7 | 0 | 0 | 0 | 106.4 | I209 L213 | I209-D211 VanDerWaalsContact C-N 3.34Å; I209-D211 PolarHBondContact O-N 3.01Å; D211-L213 PolarHBondContact O-N 3.13Å | ||
| 212 | T | 32.3 | Very low | 43 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | trans | -72.5 | 92.8 | 169.2 | -53.8 | 0 | 0 | 0 | 0 | 105 | K210 A214 | K210-T212 PolarHBondContact O-N 3.06Å; T212-A214 HydrophobicContact CG2-CB 4.08Å; T212-A214 PolarHBondContact O-N 2.86Å | ||
| 213 | L | 35.8 | Very low | 41.1 | Very low | 174 Ų | 174 | 133.5 Ų | 133.5 | 91% | 0.911 | 69% | 0.685 | S | S | * | * | trans | -59.3 | 85.3 | 149.6 | -77.4 | 166.5 | 0 | 0 | 0 | 106.6 | D211 | D211-L213 PolarHBondContact O-N 3.13Š| ||
| 214 | A | 32 | Very low | 38.8 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | trans | -96.1 | 128.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 106 | T212 | T212-A214 HydrophobicContact CG2-CB 4.08Å; T212-A214 PolarHBondContact O-N 2.86Å | ||
| 215 | L | 30.9 | Very low | 37 | Very low | 250 Ų | 250 | 145.7 Ų | 145.7 | 100% | 1.309 | 74% | 0.735 | S | S | * | * | trans | -38.4 | 0 | -177.3 | -78.3 | 117.5 | 0 | 0 | 0 | 115.6 |
Retrieved 215 of 215 residues in 146.4 ms
(Link to these results)