| 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 | 42.4 | Very low | 81.2 | Confident | 244 Ų | 244 | 80.9 Ų | 80.9 | 100% | 1.202 | 43% | 0.427 | S | S | * | . | 0 | 111.3 | 0 | -82.8 | 168.9 | 166.1 | 0 | 0 | 108.1 | R3 | M1-R3 PolarHBondContact O-N 3.36Š| |||
| 2 | S | 56.8 | Low | 82.4 | Confident | 114 Ų | 114 | 74.5 Ų | 74.5 | 80% | 0.797 | 39% | 0.393 | S | S | * | . | trans | -68.6 | 119.7 | 170.3 | 50.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | R | 63.3 | Low | 83.4 | Confident | 138 Ų | 138 | 69.3 Ų | 69.3 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | trans | -59.7 | 139.8 | 170.4 | -81.2 | -175.4 | 159.5 | -149.6 | -1.8 | 108.8 | M1 N5 E99 | M1-R3 PolarHBondContact O-N 3.36Å; R3-N5 VanDerWaalsContact C-N 3.3Å; R3-E99 IonicContact CZ-OE1 3.95Å; R3-E99 IonicContact NH1-OE1 3.52Å; R3-E99 PolarHBondContact NH1-OE1 2.87Å; R3-E99 IonicContact NH2-OE1 2.71Å | ||
| 4 | I | 73.6 | Confident | 83.5 | Confident | 167 Ų | 167 | 64.5 Ų | 64.5 | 86% | 0.856 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -70.4 | -33.1 | 177.1 | -61 | 173.1 | 0 | 0 | 0 | 110.3 | ||
| 5 | N | 86.1 | Confident | 83.8 | Confident | 119 Ų | 119 | 62.1 Ų | 62.1 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -109.3 | 142.2 | -178.3 | -62.9 | -32.4 | 0 | 0 | 0 | 111.3 | R3 | R3-N5 VanDerWaalsContact C-N 3.3Š|
| 6 | P | 92.8 | Very high | 84 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | trans | -64.6 | 151.4 | 171.6 | 30.6 | -35.8 | 0 | 0 | 0 | 110.6 | L33 A35 | P6-L33 CarbonylContact C-O 3.55Å; P6-L33 WeakPolarHBondContact CA-O 3.37Å; P6-A35 HydrophobicContact CB-CB 4.16Å; P6-A35 WeakPolarHBondContact CB-O 3.17Å; P6-A35 WeakPolarHBondContact CG-O 3.46Å | ||
| 7 | V | 94.1 | Very high | 84.4 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 14% | 0.139 | 35% | 0.35 | C | S | . | . | trans | -83.3 | 117.6 | -179.2 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | T9 L33 Y34 A35 E99 L100 | V7-T9 PolarHBondContact O-N 2.91Å; V7-T9 VanDerWaalsContact O-N 3.1Å; V7-T9 PolarHBondContact O-OG1 3.19Å; V7-L33 PolarHBondContact N-O 3.49Å; V7-Y34 HydrophobicContact CB-CD1 4.12Å; V7-Y34 CarbonylContact O-C 3.48Å; V7-A35 CarbonylContact C-O 3.59Å; V7-A35 PolarHBondContact O-N 3.42Å; V7-A35 VanDerWaalsContact O-N 3.12Å; V7-E99 HydrophobicContact CG1-CB 3.66Å; V7-L100 HydrophobicContact CG1-CB 3.76Å | ||
| 8 | T | 95 | Very high | 84.8 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 18% | 0.184 | 34% | 0.342 | C | S | . | . | trans | -63.7 | 114.3 | 176.2 | -60.2 | 0 | 0 | 0 | 0 | 109.7 | P36 L38 E99 L100 | T8-P36 HydrophobicContact CG2-CG 4.22Å; T8-L38 HydrophobicContact CG2-CD1 3.62Å; T8-E99 PolarHBondContact N-OE2 2.9Å; T8-E99 VanDerWaalsContact N-OE2 3.1Å; T8-E99 PolarHBondContact O-N 2.87Å; T8-L100 PolarHBondContact O-N 3.48Å; T8-L100 VanDerWaalsContact O-N 3.13Å | ||
| 9 | T | 96.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.7 | -167.1 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | V7 V11 P36 M37 L38 L100 L102 | V7-T9 PolarHBondContact O-N 2.91Å; V7-T9 VanDerWaalsContact O-N 3.1Å; V7-T9 PolarHBondContact O-OG1 3.19Å; T9-V11 HydrophobicContact CG2-CG2 4.15Å; T9-P36 PolarHBondContact N-O 2.98Å; T9-M37 WeakPolarHBondContact O-CA 3.26Å; T9-L38 PolarHBondContact O-N 3.21Å; T9-L100 CarbonylContact C-O 3.59Å; T9-L100 WeakPolarHBondContact CA-O 3.44Å; T9-L100 HydrophobicContact CG2-CB 4.43Å; T9-L100 HydrophobicContact CG2-CD2 3.93Å; T9-L100 HydrophobicContact CG2-CG 4.2Å; T9-L102 HydrophobicContact CG2-CD1 4.01Å; T9-L102 HydrophobicContact CG2-CG 4.22Å |
| 10 | C | 96.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.7 | 172.4 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | L38 P98 L100 I101 L102 | C10-L38 CarbonylContact C-O 3.49Å; C10-L38 VanDerWaalsContact CA-O 3.31Å; C10-L38 WeakPolarHBondContact CA-O 2.99Å; C10-P98 HydrophobicContact CB-CB 3.69Å; C10-P98 HydrophobicContact CB-CG 4.2Å; C10-L100 PolarHBondContact N-O 3.03Å; C10-I101 HydrophobicContact CB-CG1 4.09Å; C10-I101 CarbonylContact O-C 3.56Å; C10-I101 WeakPolarHBondContact O-CA 3.36Å; C10-L102 PolarHBondContact O-N 3.26Å |
| 11 | V | 96.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.2 | -179.7 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | T9 L13 M22 V26 M37 L38 F39 M40 L102 | T9-V11 HydrophobicContact CG2-CG2 4.15Å; V11-L13 HydrophobicContact CG1-CD2 3.98Å; V11-M22 HydrophobicContact CG1-CB 4.36Å; V11-M22 HydrophobicContact CG1-CE 3.74Å; V11-V26 HydrophobicContact CG1-CG1 3.86Å; V11-V26 HydrophobicContact CG1-CG2 4.4Å; V11-V26 HydrophobicContact CG2-CB 4.43Å; V11-V26 HydrophobicContact CG2-CG1 3.78Å; V11-M37 HydrophobicContact CG2-CG 3.77Å; V11-M37 HydrophobicContact CG2-SD 4.03Å; V11-L38 PolarHBondContact N-O 3.43Å; V11-F39 HydrophobicContact CB-CD1 3.7Å; V11-F39 HydrophobicContact CB-CE1 3.79Å; V11-F39 HydrophobicContact CB-CG 4.45Å; V11-F39 HydrophobicContact CG1-CD1 3.92Å; V11-F39 HydrophobicContact CG1-CE1 3.82Å; V11-F39 HydrophobicContact CG2-CD1 4.46Å; V11-F39 HydrophobicContact CG2-CE1 4.16Å; V11-F39 CarbonylContact O-C 3.56Å; V11-F39 VanDerWaalsContact O-CA 3.31Å; V11-F39 WeakPolarHBondContact O-CA 3.31Å; V11-M40 PolarHBondContact O-N 3.01Å; V11-L102 WeakPolarHBondContact CA-O 3.47Å |
| 12 | V | 95.8 | Very high | 88.6 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.9 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | M40 I101 L102 C103 C109 I112 | V12-M40 HydrophobicContact CG2-CB 4.45Å; V12-I101 HydrophobicContact CG2-CG2 4.22Å; V12-L102 PolarHBondContact N-O 3.14Å; V12-C103 HydrophobicContact CB-CB 3.7Å; V12-C103 HydrophobicContact CG1-CB 4.48Å; V12-C103 HydrophobicContact CG2-CB 3.82Å; V12-C109 HydrophobicContact CG1-CB 4.19Å; V12-I112 HydrophobicContact CB-CD1 4.19Å; V12-I112 HydrophobicContact CG1-CD1 3.5Å; V12-I112 HydrophobicContact CG2-CD1 3.57Å; V12-I112 HydrophobicContact CG2-CG2 4.12Å |
| 13 | L | 94.3 | Very high | 90.4 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.5 | 178 | -60.8 | -175.2 | 0 | 0 | 0 | 110.8 | V11 T19 M22 L23 F39 M40 V41 A52 | V11-L13 HydrophobicContact CG1-CD2 3.98Å; L13-T19 HydrophobicContact CD1-CG2 4.23Å; L13-T19 HydrophobicContact CD2-CG2 4.39Å; L13-M22 HydrophobicContact CD2-CB 3.82Å; L13-L23 HydrophobicContact CD1-CD2 4.3Å; L13-L23 HydrophobicContact CD2-CD2 4.01Å; L13-L23 HydrophobicContact CD2-CG 4.22Å; L13-F39 HydrophobicContact CD1-CB 4.36Å; L13-F39 HydrophobicContact CD1-CD1 3.74Å; L13-F39 HydrophobicContact CD1-CG 4.4Å; L13-F39 HydrophobicContact CD2-CD1 3.88Å; L13-F39 HydrophobicContact CD2-CE1 4.23Å; L13-F39 HydrophobicContact CG-CD1 3.83Å; L13-M40 PolarHBondContact N-O 3.39Å; L13-V41 HydrophobicContact CB-CG2 4.22Å; L13-V41 HydrophobicContact CD1-CG2 3.9Å; L13-V41 HydrophobicContact CG-CG2 4.3Å; L13-A52 HydrophobicContact CD1-CB 3.87Å |
| 14 | G | 85.8 | Confident | 91.9 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -80.6 | 126.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H18 T19 G105 | G14-H18 CarbonylContact O-C 3.33Å; G14-H18 WeakPolarHBondContact O-CB 3.47Å; G14-T19 WeakPolarHBondContact O-CA 3.2Å; G14-T19 WeakPolarHBondContact O-CB 3.41Å; G14-T19 PolarHBondContact O-N 3.18Å; G14-T19 PolarHBondContact O-OG1 2.93Å; G14-G105 WeakPolarHBondContact CA-O 3.26Å | ||
| 15 | S | 87.1 | Confident | 92.8 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 147.8 | -178.1 | 64.7 | 0 | 0 | 0 | 0 | 114.4 | D45 R67 | S15-D45 WeakPolarHBondContact CA-OD2 3.27Å; S15-D45 WeakPolarHBondContact CB-OD2 3.33Å; S15-R67 PolarHBondContact OG-NH2 3.47Å |
| 16 | G | 87.8 | Confident | 93.2 | Very high | 35 Ų | 35 | 26.6 Ų | 26.6 | 36% | 0.361 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -130 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | H18 T19 | G16-H18 VanDerWaalsContact C-N 3.3Å; G16-H18 PolarHBondContact O-N 3.25Å; G16-T19 PolarHBondContact O-N 3.46Å |
| 17 | G | 89.8 | Confident | 93.2 | Very high | 59 Ų | 59 | 26 Ų | 26 | 61% | 0.608 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -63.2 | -34.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T19 G20 E21 | G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 2.87Å; G17-G20 PolarHBondContact O-N 3.49Å; G17-G20 VanDerWaalsContact O-N 3.09Å; G17-E21 PolarHBondContact O-N 3.41Å |
| 18 | H | 92.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 29.1 Ų | 29.1 | 22% | 0.218 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.4 | -36.5 | 177 | -72.4 | -56.4 | 0 | 0 | 0 | 112.6 | G14 G16 E21 M22 N104 G105 S134 | G14-H18 CarbonylContact O-C 3.33Å; G14-H18 WeakPolarHBondContact O-CB 3.47Å; G16-H18 VanDerWaalsContact C-N 3.3Å; G16-H18 PolarHBondContact O-N 3.25Å; H18-E21 IonicContact ND1-OE2 3.48Å; H18-E21 PolarHBondContact O-N 3.04Å; H18-M22 WeakPolarHBondContact O-CG 3.35Å; H18-M22 PolarHBondContact O-N 3.09Å; H18-N104 VanDerWaalsContact CA-ND2 3.29Å; H18-N104 WeakPolarHBondContact CA-ND2 3.46Å; H18-N104 WeakPolarHBondContact CB-ND2 3.38Å; H18-N104 PolarHBondContact ND1-ND2 3.26Å; H18-N104 PolarHBondContact O-ND2 2.85Å; H18-G105 VanDerWaalsContact CB-O 3.32Å; H18-G105 WeakPolarHBondContact CB-O 3.35Å; H18-G105 PolarHBondContact CD2-O 3.48Å; H18-G105 VanDerWaalsContact CD2-O 3.27Å; H18-G105 PolarHBondContact ND1-O 3Å; H18-S134 VanDerWaalsContact CE1-CB 3.44Å; H18-S134 WeakPolarHBondContact CE1-CB 3.1Å |
| 19 | T | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.4 | -42.6 | 176.9 | -70.7 | 0 | 0 | 0 | 0 | 110.6 | L13 G14 G16 G17 E21 M22 L23 S48 K51 | L13-T19 HydrophobicContact CD1-CG2 4.23Å; L13-T19 HydrophobicContact CD2-CG2 4.39Å; G14-T19 WeakPolarHBondContact O-CA 3.2Å; G14-T19 WeakPolarHBondContact O-CB 3.41Å; G14-T19 PolarHBondContact O-N 3.18Å; G14-T19 PolarHBondContact O-OG1 2.93Å; G16-T19 PolarHBondContact O-N 3.46Å; G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 2.87Å; T19-E21 VanDerWaalsContact C-N 3.34Å; T19-E21 PolarHBondContact O-N 3.46Å; T19-M22 PolarHBondContact O-N 3.25Å; T19-L23 HydrophobicContact CG2-CD1 3.58Å; T19-L23 HydrophobicContact CG2-CG 4.06Å; T19-L23 WeakPolarHBondContact O-CB 3.1Å; T19-L23 WeakPolarHBondContact O-CG 3.28Å; T19-L23 PolarHBondContact O-N 3.35Å; T19-S48 PolarHBondContact OG1-OG 2.96Å; T19-K51 HydrophobicContact CG2-CB 4.27Å; T19-K51 HydrophobicContact CG2-CD 4.03Å |
| 20 | G | 93.8 | Very high | 92.9 | Very high | 36 Ų | 36 | 33.7 Ų | 33.7 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G17 R24 | G17-G20 PolarHBondContact O-N 3.49Å; G17-G20 VanDerWaalsContact O-N 3.09Å; G20-R24 WeakPolarHBondContact O-CB 3.32Å; G20-R24 PolarHBondContact O-N 3.17Å |
| 21 | E | 93.8 | Very high | 92.6 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 175.5 | -67.8 | 175.6 | 157.1 | 0 | 0 | 111.7 | G17 H18 T19 R24 L25 N104 S134 I135 F177 | G17-E21 PolarHBondContact O-N 3.41Å; H18-E21 IonicContact ND1-OE2 3.48Å; H18-E21 PolarHBondContact O-N 3.04Å; T19-E21 VanDerWaalsContact C-N 3.34Å; T19-E21 PolarHBondContact O-N 3.46Å; E21-R24 PolarHBondContact O-N 3.09Å; E21-L25 WeakPolarHBondContact O-CB 3.47Å; E21-L25 PolarHBondContact O-N 3.42Å; E21-N104 PolarHBondContact OE2-ND2 2.83Å; E21-S134 PolarHBondContact OE1-OG 3.46Å; E21-S134 WeakPolarHBondContact OE2-CA 3.43Å; E21-S134 VanDerWaalsContact OE2-CB 3.28Å; E21-S134 WeakPolarHBondContact OE2-CB 3.46Å; E21-S134 PolarHBondContact OE2-OG 2.86Å; E21-S134 VanDerWaalsContact OE2-OG 3.1Å; E21-I135 HydrophobicContact CG-CD1 4.22Å; E21-I135 WeakPolarHBondContact OE1-CB 3.32Å; E21-I135 PolarHBondContact OE1-N 2.89Å; E21-F177 WeakPolarHBondContact O-CE2 3.2Å |
| 22 | M | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -46.2 | -179.7 | -73.3 | -53.3 | -61.5 | 0 | 0 | 112.4 | V11 L13 H18 T19 R24 L25 V26 L102 N104 | V11-M22 HydrophobicContact CG1-CB 4.36Å; V11-M22 HydrophobicContact CG1-CE 3.74Å; L13-M22 HydrophobicContact CD2-CB 3.82Å; H18-M22 WeakPolarHBondContact O-CG 3.35Å; H18-M22 PolarHBondContact O-N 3.09Å; T19-M22 PolarHBondContact O-N 3.25Å; M22-R24 VanDerWaalsContact C-N 3.31Å; M22-R24 PolarHBondContact O-N 2.93Å; M22-L25 PolarHBondContact O-N 3.17Å; M22-V26 HydrophobicContact CE-CG1 4.4Å; M22-V26 WeakPolarHBondContact O-CG1 3.43Å; M22-V26 WeakPolarHBondContact O-CG2 3.19Å; M22-V26 PolarHBondContact O-N 2.9Å; M22-L102 HydrophobicContact CE-CB 3.71Å; M22-N104 HydrophobicContact CG-CB 4.22Å; M22-N104 WeakPolarHBondContact CG-ND2 3.17Å; M22-N104 WeakPolarHBondContact CG-OD1 3.4Å; M22-N104 HydrophobicContact SD-CB 3.79Å; M22-N104 VanDerWaalsContact SD-CG 3.57Å |
| 23 | L | 95.2 | Very high | 92.2 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | -179.6 | -66.4 | 175.3 | 0 | 0 | 0 | 111.8 | L13 T19 G27 F39 K51 A52 F56 | L13-L23 HydrophobicContact CD1-CD2 4.3Å; L13-L23 HydrophobicContact CD2-CD2 4.01Å; L13-L23 HydrophobicContact CD2-CG 4.22Å; T19-L23 HydrophobicContact CG2-CD1 3.58Å; T19-L23 HydrophobicContact CG2-CG 4.06Å; T19-L23 WeakPolarHBondContact O-CB 3.1Å; T19-L23 WeakPolarHBondContact O-CG 3.28Å; T19-L23 PolarHBondContact O-N 3.35Å; L23-G27 WeakPolarHBondContact O-CA 3.5Å; L23-G27 PolarHBondContact O-N 2.96Å; L23-F39 HydrophobicContact CD2-CD1 4.34Å; L23-F39 HydrophobicContact CD2-CE1 3.62Å; L23-F39 HydrophobicContact CD2-CZ 4.21Å; L23-K51 HydrophobicContact CD1-CB 3.55Å; L23-A52 HydrophobicContact CD2-CB 4.16Å; L23-F56 HydrophobicContact CD2-CD2 4.1Å; L23-F56 HydrophobicContact CD2-CE2 3.66Å |
| 24 | R | 93.7 | Very high | 92.2 | Very high | 158 Ų | 158 | 53.6 Ų | 53.6 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 173.1 | -177.1 | 177.2 | 178.9 | 155.1 | -2.3 | 111.5 | G20 E21 M22 G27 A28 F177 | G20-R24 WeakPolarHBondContact O-CB 3.32Å; G20-R24 PolarHBondContact O-N 3.17Å; E21-R24 PolarHBondContact O-N 3.09Å; M22-R24 VanDerWaalsContact C-N 3.31Å; M22-R24 PolarHBondContact O-N 2.93Å; R24-G27 PolarHBondContact O-N 3.22Å; R24-A28 PolarHBondContact O-N 3.29Å; R24-F177 HydrophobicContact CG-CD2 4.21Å; R24-F177 VanDerWaalsContact CZ-C 3.44Å; R24-F177 VanDerWaalsContact NE-C 3.27Å; R24-F177 PolarHBondContact NE-O 3.41Å; R24-F177 PolarHBondContact NE-OXT 3.47Å; R24-F177 VanDerWaalsContact NH2-C 3.26Å; R24-F177 PolarHBondContact NH2-O 3.25Å; R24-F177 PolarHBondContact NH2-OXT 2.64Å |
| 25 | L | 93.2 | Very high | 92.5 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -50.8 | 178.8 | -177.5 | 150.2 | 0 | 0 | 0 | 111.4 | E21 M22 G27 A28 L102 V132 F177 | E21-L25 WeakPolarHBondContact O-CB 3.47Å; E21-L25 PolarHBondContact O-N 3.42Å; M22-L25 PolarHBondContact O-N 3.17Å; L25-G27 VanDerWaalsContact C-N 3.27Å; L25-G27 PolarHBondContact O-N 2.89Å; L25-A28 PolarHBondContact O-N 3.33Å; L25-L102 HydrophobicContact CD2-CD1 4.16Å; L25-V132 HydrophobicContact CD1-CB 4.34Å; L25-V132 HydrophobicContact CD1-CG1 3.98Å; L25-V132 HydrophobicContact CD1-CG2 3.76Å; L25-F177 HydrophobicContact CB-CD2 4.45Å; L25-F177 HydrophobicContact CB-CE2 3.86Å; L25-F177 HydrophobicContact CB-CZ 4.09Å; L25-F177 HydrophobicContact CD1-CE1 4.04Å; L25-F177 HydrophobicContact CD1-CE2 4.44Å; L25-F177 HydrophobicContact CD1-CZ 3.88Å |
| 26 | V | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.5 | -22.1 | -177.5 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | V11 M22 A28 L29 M37 F39 F56 L102 | V11-V26 HydrophobicContact CG1-CG1 3.86Å; V11-V26 HydrophobicContact CG1-CG2 4.4Å; V11-V26 HydrophobicContact CG2-CB 4.43Å; V11-V26 HydrophobicContact CG2-CG1 3.78Å; M22-V26 HydrophobicContact CE-CG1 4.4Å; M22-V26 WeakPolarHBondContact O-CG1 3.43Å; M22-V26 WeakPolarHBondContact O-CG2 3.19Å; M22-V26 PolarHBondContact O-N 2.9Å; V26-A28 PolarHBondContact O-N 2.93Å; V26-L29 HydrophobicContact CB-CD1 4.21Å; V26-L29 HydrophobicContact CG1-CD1 4.12Å; V26-L29 WeakPolarHBondContact O-CB 3.32Å; V26-L29 PolarHBondContact O-N 3.41Å; V26-M37 HydrophobicContact CB-CE 4.03Å; V26-M37 HydrophobicContact CB-SD 4.1Å; V26-M37 HydrophobicContact CG2-SD 4.09Å; V26-F39 HydrophobicContact CG2-CE1 4.17Å; V26-F39 HydrophobicContact CG2-CZ 4.32Å; V26-F56 HydrophobicContact CB-CZ 4.3Å; V26-F56 HydrophobicContact CG2-CE1 4.37Å; V26-F56 HydrophobicContact CG2-CE2 3.86Å; V26-F56 HydrophobicContact CG2-CZ 3.44Å; V26-F56 VanDerWaalsContact CG2-CZ 3.44Å; V26-L102 HydrophobicContact CG1-CD1 3.71Å |
| 27 | G | 94 | Very high | 93.1 | Very high | 43 Ų | 43 | 56.1 Ų | 56.1 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -24.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L23 R24 L25 | L23-G27 WeakPolarHBondContact O-CA 3.5Å; L23-G27 PolarHBondContact O-N 2.96Å; R24-G27 PolarHBondContact O-N 3.22Å; L25-G27 VanDerWaalsContact C-N 3.27Å; L25-G27 PolarHBondContact O-N 2.89Å |
| 28 | A | 92.9 | Very high | 93.3 | Very high | 89 Ų | 89 | 54 Ų | 54 | 74% | 0.736 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R24 L25 V26 | R24-A28 PolarHBondContact O-N 3.29Å; L25-A28 PolarHBondContact O-N 3.33Å; V26-A28 PolarHBondContact O-N 2.93Å |
| 29 | L | 92.9 | Very high | 93.5 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -77.4 | 142.8 | 180 | -63.9 | 177.2 | 0 | 0 | 0 | 111.6 | V26 R31 Y34 L102 | V26-L29 HydrophobicContact CB-CD1 4.21Å; V26-L29 HydrophobicContact CG1-CD1 4.12Å; V26-L29 WeakPolarHBondContact O-CB 3.32Å; V26-L29 PolarHBondContact O-N 3.41Å; L29-R31 PolarHBondContact O-N 3.3Å; L29-R31 VanDerWaalsContact O-N 3.14Å; L29-Y34 HydrophobicContact CB-CD2 3.96Å; L29-Y34 HydrophobicContact CB-CG 4.5Å; L29-Y34 HydrophobicContact CD1-CG 4.49Å; L29-Y34 HydrophobicContact CD2-CD2 4.31Å; L29-Y34 HydrophobicContact CD2-CE2 4.2Å; L29-L102 HydrophobicContact CD1-CD1 3.62Å |
| 30 | N | 92.8 | Very high | 93.6 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | trans | -69.8 | 109.4 | 173.7 | -175.2 | -18.9 | 0 | 0 | 0 | 110.3 | N32 L33 Y34 | N30-N32 PolarHBondContact O-N 3.5Å; N30-N32 VanDerWaalsContact O-N 3.16Å; N30-N32 WeakPolarHBondContact OD1-CB 3.48Å; N30-N32 PolarHBondContact OD1-N 2.92Å; N30-L33 HydrophobicContact CB-CB 4.39Å; N30-L33 HydrophobicContact CB-CD1 4.16Å; N30-L33 HydrophobicContact CB-CG 4.27Å; N30-L33 PolarHBondContact O-N 2.85Å; N30-Y34 WeakPolarHBondContact O-CD2 3.46Å; N30-Y34 PolarHBondContact O-N 3.27Å | ||
| 31 | R | 89.5 | Confident | 93.6 | Very high | 128 Ų | 128 | 50.1 Ų | 50.1 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.7 | -178 | -61.5 | -177.3 | -177.9 | -172.6 | -1.1 | 113.9 | L29 L33 A35 A55 F56 | L29-R31 PolarHBondContact O-N 3.3Å; L29-R31 VanDerWaalsContact O-N 3.14Å; R31-L33 VanDerWaalsContact C-N 3.29Å; R31-A35 WeakPolarHBondContact O-CB 3.46Å; R31-A55 PolarHBondContact NH2-O 3.33Å; R31-F56 VanDerWaalsContact NH2-CD1 3.32Å |
| 32 | N | 91.5 | Very high | 93.5 | Very high | 139 Ų | 139 | 49.3 Ų | 49.3 | 74% | 0.743 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -18.3 | 173.3 | -61.5 | -23.2 | 0 | 0 | 0 | 112.5 | N30 | N30-N32 PolarHBondContact O-N 3.5Å; N30-N32 VanDerWaalsContact O-N 3.16Å; N30-N32 WeakPolarHBondContact OD1-CB 3.48Å; N30-N32 PolarHBondContact OD1-N 2.92Å |
| 33 | L | 93.5 | Very high | 93.2 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -27.5 | 178.3 | -62.3 | 179 | 0 | 0 | 0 | 112.4 | P6 V7 N30 R31 | P6-L33 CarbonylContact C-O 3.55Å; P6-L33 WeakPolarHBondContact CA-O 3.37Å; V7-L33 PolarHBondContact N-O 3.49Å; N30-L33 HydrophobicContact CB-CB 4.39Å; N30-L33 HydrophobicContact CB-CD1 4.16Å; N30-L33 HydrophobicContact CB-CG 4.27Å; N30-L33 PolarHBondContact O-N 2.85Å; R31-L33 VanDerWaalsContact C-N 3.29Å |
| 34 | Y | 94.2 | Very high | 92.7 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -122.8 | 78.7 | -176.5 | -58.7 | -77.9 | 0 | 0 | 0 | 110.1 | V7 L29 N30 L100 | V7-Y34 HydrophobicContact CB-CD1 4.12Å; V7-Y34 CarbonylContact O-C 3.48Å; L29-Y34 HydrophobicContact CB-CD2 3.96Å; L29-Y34 HydrophobicContact CB-CG 4.5Å; L29-Y34 HydrophobicContact CD1-CG 4.49Å; L29-Y34 HydrophobicContact CD2-CD2 4.31Å; L29-Y34 HydrophobicContact CD2-CE2 4.2Å; N30-Y34 WeakPolarHBondContact O-CD2 3.46Å; N30-Y34 PolarHBondContact O-N 3.27Å; Y34-L100 HydrophobicContact CD1-CD2 3.77Å; Y34-L100 HydrophobicContact CE1-CD2 3.82Å |
| 35 | A | 91.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | trans | -151.2 | 152.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P6 V7 R31 | P6-A35 HydrophobicContact CB-CB 4.16Å; P6-A35 WeakPolarHBondContact CB-O 3.17Å; P6-A35 WeakPolarHBondContact CG-O 3.46Å; V7-A35 CarbonylContact C-O 3.59Å; V7-A35 PolarHBondContact O-N 3.42Å; V7-A35 VanDerWaalsContact O-N 3.12Å; R31-A35 WeakPolarHBondContact O-CB 3.46Å | ||
| 36 | P | 93.2 | Very high | 92.5 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | S | Bend | cis | -67 | 156.3 | -9 | 29.7 | -34.4 | 0 | 0 | 0 | 111.6 | T8 T9 L38 | T8-P36 HydrophobicContact CG2-CG 4.22Å; T9-P36 PolarHBondContact N-O 2.98Å; P36-L38 HydrophobicContact CG-CD1 4.25Å |
| 37 | M | 93.9 | Very high | 92.5 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119 | 175.5 | -167 | 173.6 | -72.2 | 0 | 0 | 109.4 | T9 V11 V26 F39 F56 | T9-M37 WeakPolarHBondContact O-CA 3.26Å; V11-M37 HydrophobicContact CG2-CG 3.77Å; V11-M37 HydrophobicContact CG2-SD 4.03Å; V26-M37 HydrophobicContact CB-CE 4.03Å; V26-M37 HydrophobicContact CB-SD 4.1Å; V26-M37 HydrophobicContact CG2-SD 4.09Å; M37-F39 HydrophobicContact CB-CE2 4.26Å; M37-F39 HydrophobicContact CG-CD2 4.31Å; M37-F39 HydrophobicContact CG-CE2 3.58Å; M37-F39 HydrophobicContact CG-CZ 3.77Å; M37-F39 HydrophobicContact SD-CE1 4.18Å; M37-F39 HydrophobicContact SD-CE2 3.67Å; M37-F39 HydrophobicContact SD-CZ 3.3Å; M37-F39 WeakPolarHBondContact SD-CZ 3.45Å; M37-F56 HydrophobicContact CE-CE1 4.24Å; M37-F56 HydrophobicContact SD-CD1 4.02Å; M37-F56 HydrophobicContact SD-CE1 3.66Å; M37-F56 HydrophobicContact SD-CZ 4.06Å |
| 38 | L | 95.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.7 | -179.7 | -53.2 | 98 | 0 | 0 | 0 | 108.7 | T8 T9 C10 V11 P36 H61 M96 | T8-L38 HydrophobicContact CG2-CD1 3.62Å; T9-L38 PolarHBondContact O-N 3.21Å; C10-L38 CarbonylContact C-O 3.49Å; C10-L38 VanDerWaalsContact CA-O 3.31Å; C10-L38 WeakPolarHBondContact CA-O 2.99Å; V11-L38 PolarHBondContact N-O 3.43Å; P36-L38 HydrophobicContact CG-CD1 4.25Å; L38-H61 HydrophobicContact CB-CB 4.49Å; L38-H61 HydrophobicContact CD2-CB 4.39Å; L38-H61 HydrophobicContact CG-CB 4.29Å; L38-M96 HydrophobicContact CB-SD 3.92Å; L38-M96 HydrophobicContact CD2-CB 4.12Å; L38-M96 HydrophobicContact CD2-CG 3.79Å; L38-M96 HydrophobicContact CD2-SD 3.42Å; L38-M96 WeakPolarHBondContact CD2-SD 3.38Å; L38-M96 HydrophobicContact CG-SD 4.24Å |
| 39 | F | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.1 | -179.7 | -68.2 | -92.6 | 0 | 0 | 0 | 110.4 | V11 L13 L23 V26 M37 V41 A52 F56 V60 H61 I62 V63 | V11-F39 HydrophobicContact CB-CD1 3.7Å; V11-F39 HydrophobicContact CB-CE1 3.79Å; V11-F39 HydrophobicContact CB-CG 4.45Å; V11-F39 HydrophobicContact CG1-CD1 3.92Å; V11-F39 HydrophobicContact CG1-CE1 3.82Å; V11-F39 HydrophobicContact CG2-CD1 4.46Å; V11-F39 HydrophobicContact CG2-CE1 4.16Å; V11-F39 CarbonylContact O-C 3.56Å; V11-F39 VanDerWaalsContact O-CA 3.31Å; V11-F39 WeakPolarHBondContact O-CA 3.31Å; L13-F39 HydrophobicContact CD1-CB 4.36Å; L13-F39 HydrophobicContact CD1-CD1 3.74Å; L13-F39 HydrophobicContact CD1-CG 4.4Å; L13-F39 HydrophobicContact CD2-CD1 3.88Å; L13-F39 HydrophobicContact CD2-CE1 4.23Å; L13-F39 HydrophobicContact CG-CD1 3.83Å; L23-F39 HydrophobicContact CD2-CD1 4.34Å; L23-F39 HydrophobicContact CD2-CE1 3.62Å; L23-F39 HydrophobicContact CD2-CZ 4.21Å; V26-F39 HydrophobicContact CG2-CE1 4.17Å; V26-F39 HydrophobicContact CG2-CZ 4.32Å; M37-F39 HydrophobicContact CB-CE2 4.26Å; M37-F39 HydrophobicContact CG-CD2 4.31Å; M37-F39 HydrophobicContact CG-CE2 3.58Å; M37-F39 HydrophobicContact CG-CZ 3.77Å; M37-F39 HydrophobicContact SD-CE1 4.18Å; M37-F39 HydrophobicContact SD-CE2 3.67Å; M37-F39 HydrophobicContact SD-CZ 3.3Å; M37-F39 WeakPolarHBondContact SD-CZ 3.45Å; F39-V41 HydrophobicContact CB-CG2 4.39Å; F39-A52 HydrophobicContact CD1-CB 4.39Å; F39-A52 HydrophobicContact CG-CB 4.38Å; F39-F56 HydrophobicContact CE1-CD2 4.39Å; F39-F56 HydrophobicContact CE1-CE2 4.3Å; F39-F56 HydrophobicContact CE2-CB 4.44Å; F39-F56 HydrophobicContact CE2-CD2 4.12Å; F39-F56 HydrophobicContact CE2-CG 4.13Å; F39-F56 HydrophobicContact CZ-CD1 4.33Å; F39-F56 AromaticContact CZ-CD2 3.53Å; F39-F56 HydrophobicContact CZ-CD2 3.53Å; F39-F56 HydrophobicContact CZ-CE1 4.44Å; F39-F56 AromaticContact CZ-CE2 3.68Å; F39-F56 HydrophobicContact CZ-CE2 3.68Å; F39-F56 AromaticContact CZ-CG 3.91Å; F39-F56 HydrophobicContact CZ-CG 3.91Å; F39-F56 HydrophobicContact CZ-CZ 4.15Å; F39-V60 HydrophobicContact CD2-CG2 3.31Å; F39-V60 HydrophobicContact CE2-CG2 3.27Å; F39-H61 PolarHBondContact N-O 2.94Å; F39-I62 HydrophobicContact CB-CD1 3.82Å; F39-I62 HydrophobicContact CG-CD1 4.47Å; F39-I62 WeakPolarHBondContact O-CA 3.3Å; F39-V63 PolarHBondContact O-N 3.33Å |
| 40 | M | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125 | 169.2 | -76.4 | -170 | 177.9 | 0 | 0 | 109.7 | V11 V12 L13 V63 I65 E92 I93 M96 I112 | V11-M40 PolarHBondContact O-N 3.01Å; V12-M40 HydrophobicContact CG2-CB 4.45Å; L13-M40 PolarHBondContact N-O 3.39Å; M40-V63 CarbonylContact C-O 3.59Å; M40-V63 WeakPolarHBondContact CA-O 3.49Å; M40-V63 HydrophobicContact CG-CB 4.32Å; M40-V63 HydrophobicContact CG-CG1 4.41Å; M40-I65 HydrophobicContact CB-CD1 4.48Å; M40-E92 HydrophobicContact CE-CB 3.76Å; M40-I93 HydrophobicContact CE-CD1 3.65Å; M40-I93 HydrophobicContact CE-CG1 4.12Å; M40-M96 HydrophobicContact CE-CE 3.06Å; M40-M96 HydrophobicContact CG-CE 4.14Å; M40-M96 HydrophobicContact SD-CE 4.34Å; M40-I112 HydrophobicContact CB-CD1 4.43Å; M40-I112 HydrophobicContact CE-CG2 4.21Å; M40-I112 HydrophobicContact SD-CB 4.43Å; M40-I112 HydrophobicContact SD-CD1 3.75Å; M40-I112 HydrophobicContact SD-CG1 3.92Å; M40-I112 HydrophobicContact SD-CG2 3.61Å |
| 41 | V | 93.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.5 | -175.7 | -168.1 | 0 | 0 | 0 | 0 | 109.7 | L13 F39 D45 V49 I62 V63 Y64 I65 | L13-V41 HydrophobicContact CB-CG2 4.22Å; L13-V41 HydrophobicContact CD1-CG2 3.9Å; L13-V41 HydrophobicContact CG-CG2 4.3Å; F39-V41 HydrophobicContact CB-CG2 4.39Å; V41-D45 HydrophobicContact CG1-CB 4.06Å; V41-V49 HydrophobicContact CB-CG2 4.21Å; V41-V49 HydrophobicContact CG1-CG2 3.96Å; V41-V49 HydrophobicContact CG2-CG2 4.24Å; V41-I62 HydrophobicContact CG2-CG2 4.27Å; V41-V63 PolarHBondContact N-O 3.46Å; V41-Y64 WeakPolarHBondContact O-CA 3.29Å; V41-I65 WeakPolarHBondContact O-CG1 3.31Å; V41-I65 PolarHBondContact O-N 3.04Å |
| 42 | A | 91.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 138.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | N44 D45 I65 R67 | A42-N44 PolarHBondContact O-N 3.02Å; A42-N44 VanDerWaalsContact O-N 3.12Å; A42-D45 HydrophobicContact CB-CB 4.06Å; A42-D45 PolarHBondContact O-N 2.73Å; A42-I65 CarbonylContact C-O 3.56Å; A42-I65 WeakPolarHBondContact CA-O 3.46Å; A42-R67 HydrophobicContact CB-CB 4.05Å; A42-R67 HydrophobicContact CB-CG 4.27Å |
| 43 | D | 88.2 | Confident | 93.4 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -32.5 | 178 | 56.2 | 0.3 | 0 | 0 | 0 | 114.5 | I65 T66 R67 | D43-I65 PolarHBondContact N-O 2.84Å; D43-T66 WeakPolarHBondContact OD2-CA 3.36Å; D43-R67 PolarHBondContact OD1-N 3.27Å |
| 44 | N | 86.3 | Confident | 93.5 | Very high | 69 Ų | 69 | 45 Ų | 45 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 24.1 | 179.2 | 73.2 | 2 | 0 | 0 | 0 | 114.9 | A42 P46 R67 | A42-N44 PolarHBondContact O-N 3.02Å; A42-N44 VanDerWaalsContact O-N 3.12Å; N44-P46 VanDerWaalsContact C-CD 3.41Å; N44-P46 WeakPolarHBondContact O-CD 3.47Å; N44-R67 WeakPolarHBondContact OD1-CD 3.17Å; N44-R67 PolarHBondContact OD1-NH1 3.08Å |
| 45 | D | 89.9 | Confident | 93.5 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | trans | -124.5 | 64.8 | -177.6 | -168.1 | 13.9 | 0 | 0 | 0 | 113.4 | S15 V41 A42 L47 S48 | S15-D45 WeakPolarHBondContact CA-OD2 3.27Å; S15-D45 WeakPolarHBondContact CB-OD2 3.33Å; V41-D45 HydrophobicContact CG1-CB 4.06Å; A42-D45 HydrophobicContact CB-CB 4.06Å; A42-D45 PolarHBondContact O-N 2.73Å; D45-L47 PolarHBondContact O-N 2.93Å; D45-S48 PolarHBondContact O-N 3.05Å; D45-S48 PolarHBondContact OD1-N 3.36Å; D45-S48 PolarHBondContact OD1-OG 3.06Å; D45-S48 VanDerWaalsContact OD1-OG 3.13Å; D45-S48 VanDerWaalsContact OD2-CB 3.24Å; D45-S48 WeakPolarHBondContact OD2-CB 3.34Å; D45-S48 PolarHBondContact OD2-OG 2.73Å | ||
| 46 | P | 92.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 43.5 Ų | 43.5 | 61% | 0.61 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63 | -28 | -178.9 | 26.3 | -35.1 | 0 | 0 | 0 | 112.6 | N44 S48 V49 T50 | N44-P46 VanDerWaalsContact C-CD 3.41Å; N44-P46 WeakPolarHBondContact O-CD 3.47Å; P46-S48 VanDerWaalsContact C-N 3.33Å; P46-S48 PolarHBondContact O-N 3.2Å; P46-V49 WeakPolarHBondContact O-CB 3.32Å; P46-V49 PolarHBondContact O-N 2.93Å; P46-T50 PolarHBondContact O-N 2.65Å; P46-T50 PolarHBondContact O-OG1 3.19Å |
| 47 | L | 93.7 | Very high | 93.5 | Very high | 96 Ų | 96 | 41.3 Ų | 41.3 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | 179.2 | -179.2 | 62 | 0 | 0 | 0 | 111.7 | D45 V49 T50 K51 | D45-L47 PolarHBondContact O-N 2.93Å; L47-V49 VanDerWaalsContact C-N 3.31Å; L47-T50 PolarHBondContact O-N 3.49Å; L47-K51 WeakPolarHBondContact O-CG 3.3Å; L47-K51 PolarHBondContact O-N 3.23Å |
| 48 | S | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.7 | -33.2 | 178.4 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | T19 D45 P46 K51 A52 | T19-S48 PolarHBondContact OG1-OG 2.96Å; D45-S48 PolarHBondContact O-N 3.05Å; D45-S48 PolarHBondContact OD1-N 3.36Å; D45-S48 PolarHBondContact OD1-OG 3.06Å; D45-S48 VanDerWaalsContact OD1-OG 3.13Å; D45-S48 VanDerWaalsContact OD2-CB 3.24Å; D45-S48 WeakPolarHBondContact OD2-CB 3.34Å; D45-S48 PolarHBondContact OD2-OG 2.73Å; P46-S48 VanDerWaalsContact C-N 3.33Å; P46-S48 PolarHBondContact O-N 3.2Å; S48-K51 PolarHBondContact O-N 2.87Å; S48-A52 WeakPolarHBondContact O-CB 3.37Å; S48-A52 PolarHBondContact O-N 3.33Å |
| 49 | V | 95.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 172 | 178 | 0 | 0 | 0 | 0 | 111 | V41 P46 L47 K51 A52 K53 I62 Y64 | V41-V49 HydrophobicContact CB-CG2 4.21Å; V41-V49 HydrophobicContact CG1-CG2 3.96Å; V41-V49 HydrophobicContact CG2-CG2 4.24Å; P46-V49 WeakPolarHBondContact O-CB 3.32Å; P46-V49 PolarHBondContact O-N 2.93Å; L47-V49 VanDerWaalsContact C-N 3.31Å; V49-K51 PolarHBondContact O-N 3.37Å; V49-A52 PolarHBondContact O-N 2.85Å; V49-K53 HydrophobicContact CG1-CD 4.17Å; V49-K53 WeakPolarHBondContact O-CG 3.21Å; V49-K53 PolarHBondContact O-N 3.46Å; V49-I62 HydrophobicContact CG1-CD1 4.49Å; V49-I62 HydrophobicContact CG1-CG1 4.15Å; V49-I62 HydrophobicContact CG1-CG2 4.37Å; V49-I62 HydrophobicContact CG2-CG2 4.01Å; V49-Y64 HydrophobicContact CG2-CE1 3.84Å |
| 50 | T | 95.8 | Very high | 93 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 44% | 0.442 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | P46 L47 A52 K53 D54 | P46-T50 PolarHBondContact O-N 2.65Å; P46-T50 PolarHBondContact O-OG1 3.19Å; L47-T50 PolarHBondContact O-N 3.49Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 2.88Å; T50-K53 PolarHBondContact O-N 2.89Å; T50-K53 VanDerWaalsContact O-N 3.15Å; T50-D54 WeakPolarHBondContact O-CB 3.16Å; T50-D54 PolarHBondContact O-N 3.49Å |
| 51 | K | 95.8 | Very high | 93 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 178.1 | -70.7 | 179.1 | 177.7 | -176.6 | 0 | 113.3 | T19 L23 L47 S48 V49 A55 | T19-K51 HydrophobicContact CG2-CB 4.27Å; T19-K51 HydrophobicContact CG2-CD 4.03Å; L23-K51 HydrophobicContact CD1-CB 3.55Å; L47-K51 WeakPolarHBondContact O-CG 3.3Å; L47-K51 PolarHBondContact O-N 3.23Å; S48-K51 PolarHBondContact O-N 2.87Å; V49-K51 PolarHBondContact O-N 3.37Å; K51-A55 WeakPolarHBondContact O-CB 3.4Å; K51-A55 PolarHBondContact O-N 3.31Å; K51-A55 VanDerWaalsContact O-N 3.09Å |
| 52 | A | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.9 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L13 L23 F39 S48 V49 T50 A55 F56 I62 | L13-A52 HydrophobicContact CD1-CB 3.87Å; L23-A52 HydrophobicContact CD2-CB 4.16Å; F39-A52 HydrophobicContact CD1-CB 4.39Å; F39-A52 HydrophobicContact CG-CB 4.38Å; S48-A52 WeakPolarHBondContact O-CB 3.37Å; S48-A52 PolarHBondContact O-N 3.33Å; V49-A52 PolarHBondContact O-N 2.85Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 2.88Å; A52-A55 PolarHBondContact O-N 2.94Å; A52-F56 WeakPolarHBondContact O-CB 3.45Å; A52-F56 PolarHBondContact O-N 2.81Å; A52-I62 HydrophobicContact CB-CD1 4.21Å |
| 53 | K | 96 | Very high | 93.1 | Very high | 87 Ų | 87 | 58.8 Ų | 58.8 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 176.5 | -73.9 | -179.2 | 174.2 | -174 | 0 | 112.4 | V49 T50 A55 G57 V60 | V49-K53 HydrophobicContact CG1-CD 4.17Å; V49-K53 WeakPolarHBondContact O-CG 3.21Å; V49-K53 PolarHBondContact O-N 3.46Å; T50-K53 PolarHBondContact O-N 2.89Å; T50-K53 VanDerWaalsContact O-N 3.15Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 3.31Å; K53-G57 CarbonylContact O-C 3.23Å; K53-G57 VanDerWaalsContact O-C 3.23Å; K53-G57 WeakPolarHBondContact O-CA 3.3Å; K53-G57 PolarHBondContact O-N 2.97Å; K53-V60 HydrophobicContact CG-CG1 3.81Å |
| 54 | D | 95.3 | Very high | 93.4 | Very high | 129 Ų | 129 | 60.7 Ų | 60.7 | 69% | 0.69 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 176.4 | -65 | -17 | 0 | 0 | 0 | 111.4 | T50 | T50-D54 WeakPolarHBondContact O-CB 3.16Å; T50-D54 PolarHBondContact O-N 3.49Å |
| 55 | A | 93.6 | Very high | 93.6 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -84.2 | -31.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R31 K51 A52 K53 | R31-A55 PolarHBondContact NH2-O 3.33Å; K51-A55 WeakPolarHBondContact O-CB 3.4Å; K51-A55 PolarHBondContact O-N 3.31Å; K51-A55 VanDerWaalsContact O-N 3.09Å; A52-A55 PolarHBondContact O-N 2.94Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 3.31Å |
| 56 | F | 93.7 | Very high | 93.4 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 13% | 0.127 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -120.2 | -4 | -171.6 | -66.7 | -88.4 | 0 | 0 | 0 | 114.4 | L23 V26 R31 M37 F39 A52 V60 | L23-F56 HydrophobicContact CD2-CD2 4.1Å; L23-F56 HydrophobicContact CD2-CE2 3.66Å; V26-F56 HydrophobicContact CB-CZ 4.3Å; V26-F56 HydrophobicContact CG2-CE1 4.37Å; V26-F56 HydrophobicContact CG2-CE2 3.86Å; V26-F56 HydrophobicContact CG2-CZ 3.44Å; V26-F56 VanDerWaalsContact CG2-CZ 3.44Å; R31-F56 VanDerWaalsContact NH2-CD1 3.32Å; M37-F56 HydrophobicContact CE-CE1 4.24Å; M37-F56 HydrophobicContact SD-CD1 4.02Å; M37-F56 HydrophobicContact SD-CE1 3.66Å; M37-F56 HydrophobicContact SD-CZ 4.06Å; F39-F56 HydrophobicContact CE1-CD2 4.39Å; F39-F56 HydrophobicContact CE1-CE2 4.3Å; F39-F56 HydrophobicContact CE2-CB 4.44Å; F39-F56 HydrophobicContact CE2-CD2 4.12Å; F39-F56 HydrophobicContact CE2-CG 4.13Å; F39-F56 HydrophobicContact CZ-CD1 4.33Å; F39-F56 AromaticContact CZ-CD2 3.53Å; F39-F56 HydrophobicContact CZ-CD2 3.53Å; F39-F56 HydrophobicContact CZ-CE1 4.44Å; F39-F56 AromaticContact CZ-CE2 3.68Å; F39-F56 HydrophobicContact CZ-CE2 3.68Å; F39-F56 AromaticContact CZ-CG 3.91Å; F39-F56 HydrophobicContact CZ-CG 3.91Å; F39-F56 HydrophobicContact CZ-CZ 4.15Å; A52-F56 WeakPolarHBondContact O-CB 3.45Å; A52-F56 PolarHBondContact O-N 2.81Å; F56-V60 HydrophobicContact CB-CB 4.23Å; F56-V60 HydrophobicContact CB-CG2 3.95Å |
| 57 | G | 92.6 | Very high | 92.8 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | trans | 100.1 | 161.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K53 T59 V60 | K53-G57 CarbonylContact O-C 3.23Å; K53-G57 VanDerWaalsContact O-C 3.23Å; K53-G57 WeakPolarHBondContact O-CA 3.3Å; K53-G57 PolarHBondContact O-N 2.97Å; G57-T59 PolarHBondContact O-N 3.44Å; G57-V60 WeakPolarHBondContact O-CB 3.28Å; G57-V60 WeakPolarHBondContact O-CG1 3.26Å; G57-V60 PolarHBondContact O-N 3.04Å | ||
| 58 | P | 91.1 | Very high | 91.7 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 71% | 0.714 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.4 | -173.7 | 27.6 | -35.4 | 0 | 0 | 0 | 113.8 | V60 | P58-V60 VanDerWaalsContact C-N 3.32Š|
| 59 | T | 91.4 | Very high | 90.6 | Very high | 122 Ų | 122 | 57.5 Ų | 57.5 | 75% | 0.748 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.6 | -178.2 | 55 | 0 | 0 | 0 | 0 | 113.5 | G57 | G57-T59 PolarHBondContact O-N 3.44Š|
| 60 | V | 92 | Very high | 89.1 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 13% | 0.127 | 33% | 0.326 | C | S | . | . | trans | -61.3 | 138.6 | 178.6 | 73.8 | 0 | 0 | 0 | 0 | 111.2 | F39 K53 F56 G57 P58 I62 | F39-V60 HydrophobicContact CD2-CG2 3.31Å; F39-V60 HydrophobicContact CE2-CG2 3.27Å; K53-V60 HydrophobicContact CG-CG1 3.81Å; F56-V60 HydrophobicContact CB-CB 4.23Å; F56-V60 HydrophobicContact CB-CG2 3.95Å; G57-V60 WeakPolarHBondContact O-CB 3.28Å; G57-V60 WeakPolarHBondContact O-CG1 3.26Å; G57-V60 PolarHBondContact O-N 3.04Å; P58-V60 VanDerWaalsContact C-N 3.32Å; V60-I62 HydrophobicContact CG1-CD1 3.79Å; V60-I62 HydrophobicContact CG1-CG1 4.21Å; V60-I62 PolarHBondContact O-N 3.49Å | ||
| 61 | H | 94.3 | Very high | 87.5 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.6 | -176.8 | -72.6 | -116.8 | 0 | 0 | 0 | 110.2 | L38 F39 | L38-H61 HydrophobicContact CB-CB 4.49Å; L38-H61 HydrophobicContact CD2-CB 4.39Å; L38-H61 HydrophobicContact CG-CB 4.29Å; F39-H61 PolarHBondContact N-O 2.94Å |
| 62 | I | 95.2 | Very high | 85.9 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.5 | 177.4 | -55.1 | -59.6 | 0 | 0 | 0 | 109.4 | F39 V41 V49 A52 V60 Y64 | F39-I62 HydrophobicContact CB-CD1 3.82Å; F39-I62 HydrophobicContact CG-CD1 4.47Å; F39-I62 WeakPolarHBondContact O-CA 3.3Å; V41-I62 HydrophobicContact CG2-CG2 4.27Å; V49-I62 HydrophobicContact CG1-CD1 4.49Å; V49-I62 HydrophobicContact CG1-CG1 4.15Å; V49-I62 HydrophobicContact CG1-CG2 4.37Å; V49-I62 HydrophobicContact CG2-CG2 4.01Å; A52-I62 HydrophobicContact CB-CD1 4.21Å; V60-I62 HydrophobicContact CG1-CD1 3.79Å; V60-I62 HydrophobicContact CG1-CG1 4.21Å; V60-I62 PolarHBondContact O-N 3.49Å; I62-Y64 HydrophobicContact CG2-CD2 4.45Å; I62-Y64 HydrophobicContact CG2-CE1 4.11Å; I62-Y64 HydrophobicContact CG2-CE2 3.92Å |
| 63 | V | 93.9 | Very high | 84.5 | Confident | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.055 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132 | 173.9 | 173.6 | 0 | 0 | 0 | 0 | 109 | F39 M40 V41 E92 M96 | F39-V63 PolarHBondContact O-N 3.33Å; M40-V63 CarbonylContact C-O 3.59Å; M40-V63 WeakPolarHBondContact CA-O 3.49Å; M40-V63 HydrophobicContact CG-CB 4.32Å; M40-V63 HydrophobicContact CG-CG1 4.41Å; V41-V63 PolarHBondContact N-O 3.46Å; V63-E92 HydrophobicContact CG1-CB 4.03Å; V63-E92 HydrophobicContact CG1-CG 3.43Å; V63-E92 VanDerWaalsContact CG1-CG 3.43Å; V63-E92 WeakPolarHBondContact CG1-OE2 3.31Å; V63-M96 HydrophobicContact CB-SD 4.36Å; V63-M96 HydrophobicContact CG2-SD 3.59Å; V63-M96 VanDerWaalsContact CG2-SD 3.59Å |
| 64 | Y | 93.1 | Very high | 83.4 | Confident | 121 Ų | 121 | 73.1 Ų | 73.1 | 48% | 0.475 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138.4 | -178.7 | -61.3 | -85 | 0 | 0 | 0 | 110.8 | V41 V49 I62 | V41-Y64 WeakPolarHBondContact O-CA 3.29Å; V49-Y64 HydrophobicContact CG2-CE1 3.84Å; I62-Y64 HydrophobicContact CG2-CD2 4.45Å; I62-Y64 HydrophobicContact CG2-CE1 4.11Å; I62-Y64 HydrophobicContact CG2-CE2 3.92Å |
| 65 | I | 90.7 | Very high | 82.2 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.3 | 173.5 | 56.4 | 178.9 | 0 | 0 | 0 | 110 | M40 V41 A42 D43 R67 T108 I112 | M40-I65 HydrophobicContact CB-CD1 4.48Å; V41-I65 WeakPolarHBondContact O-CG1 3.31Å; V41-I65 PolarHBondContact O-N 3.04Å; A42-I65 CarbonylContact C-O 3.56Å; A42-I65 WeakPolarHBondContact CA-O 3.46Å; D43-I65 PolarHBondContact N-O 2.84Å; I65-R67 PolarHBondContact O-N 3.41Å; I65-T108 HydrophobicContact CD1-CG2 3.39Å; I65-T108 HydrophobicContact CG1-CG2 3.89Å; I65-I112 HydrophobicContact CD1-CD1 3.25Å; I65-I112 HydrophobicContact CD1-CG1 3.73Å |
| 66 | T | 85.7 | Confident | 81.2 | Confident | 29 Ų | 29 | 75 Ų | 75 | 18% | 0.178 | 40% | 0.399 | C | S | . | . | trans | -63 | 130.3 | 177.1 | -67.8 | 0 | 0 | 0 | 0 | 110 | D43 C68 P81 I84 S85 Q88 | D43-T66 WeakPolarHBondContact OD2-CA 3.36Å; T66-C68 PolarHBondContact O-N 2.64Å; T66-P81 HydrophobicContact CG2-CB 4.47Å; T66-I84 HydrophobicContact CG2-CG2 4.26Å; T66-S85 VanDerWaalsContact O-CB 3.27Å; T66-S85 WeakPolarHBondContact O-CB 3.44Å; T66-S85 PolarHBondContact O-OG 3.35Å; T66-Q88 PolarHBondContact OG1-NE2 3.3Å; T66-Q88 VanDerWaalsContact OG1-NE2 3.08Å; T66-Q88 PolarHBondContact OG1-OE1 2.88Å | ||
| 67 | R | 79.3 | Confident | 80.2 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 15% | 0.151 | 41% | 0.409 | C | S | . | . | trans | -69 | 121.8 | 178 | -170.5 | 167.3 | -179.5 | 154.8 | 10.2 | 111 | S15 A42 D43 N44 I65 R69 | S15-R67 PolarHBondContact OG-NH2 3.47Å; A42-R67 HydrophobicContact CB-CB 4.05Å; A42-R67 HydrophobicContact CB-CG 4.27Å; D43-R67 PolarHBondContact OD1-N 3.27Å; N44-R67 WeakPolarHBondContact OD1-CD 3.17Å; N44-R67 PolarHBondContact OD1-NH1 3.08Å; I65-R67 PolarHBondContact O-N 3.41Å; R67-R69 VanDerWaalsContact C-N 3.31Å; R67-R69 PolarHBondContact NE-O 3.12Å; R67-R69 VanDerWaalsContact NE-O 3.1Å; R67-R69 PolarHBondContact O-N 2.84Å | ||
| 68 | C | 71.5 | Confident | 79.6 | Confident | 10 Ų | 10 | 76 Ų | 76 | 7% | 0.068 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -63.8 | -32.9 | 178.8 | -74.5 | 0 | 0 | 0 | 0 | 114.3 | T66 T78 S85 P111 | T66-C68 PolarHBondContact O-N 2.64Å; C68-T78 WeakPolarHBondContact O-CB 3.25Å; C68-S85 WeakPolarHBondContact SG-CB 3.34Å; C68-S85 PolarHBondContact SG-OG 3.45Å; C68-S85 VanDerWaalsContact SG-OG 3.37Å; C68-P111 WeakPolarHBondContact SG-CG 3.47Å |
| 69 | R | 69.7 | Low | 78.9 | Confident | 125 Ų | 125 | 77 Ų | 77 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | trans | -150.4 | 126.1 | -172.4 | -169.9 | 178 | 81 | 120.2 | 2.6 | 112 | R67 Q73 T78 | R67-R69 VanDerWaalsContact C-N 3.31Å; R67-R69 PolarHBondContact NE-O 3.12Å; R67-R69 VanDerWaalsContact NE-O 3.1Å; R67-R69 PolarHBondContact O-N 2.84Å; R69-Q73 HydrophobicContact CG-CB 4.22Å; R69-T78 HydrophobicContact CB-CG2 3.77Å; R69-T78 HydrophobicContact CG-CG2 3.56Å | ||
| 70 | Q | 65.5 | Low | 78.5 | Confident | 118 Ų | 118 | 78.5 Ų | 78.5 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | trans | -78.5 | 154.1 | 165.9 | -62.8 | -171.7 | -3 | 0 | 0 | 111.3 | K72 Q73 | Q70-K72 PolarHBondContact O-N 3.43Å; Q70-Q73 HydrophobicContact CB-CB 4.19Å; Q70-Q73 WeakPolarHBondContact O-CB 3.41Å; Q70-Q73 PolarHBondContact O-N 2.9Å; Q70-Q73 VanDerWaalsContact O-N 3.12Å | ||
| 71 | V | 61.4 | Low | 78.1 | Confident | 115 Ų | 115 | 79 Ų | 79 | 70% | 0.697 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 126.2 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | ||
| 72 | K | 61.7 | Low | 77.7 | Confident | 202 Ų | 202 | 74.3 Ų | 74.3 | 88% | 0.878 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 7 | -174.6 | -53.7 | 174.7 | -179.5 | 179.4 | 0 | 117.4 | Q70 | Q70-K72 PolarHBondContact O-N 3.43Š|
| 73 | Q | 67 | Low | 77.3 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | trans | -73.7 | 136.8 | 177.1 | -175.2 | 177.2 | 3.5 | 0 | 0 | 112.3 | R69 Q70 S77 | R69-Q73 HydrophobicContact CG-CB 4.22Å; Q70-Q73 HydrophobicContact CB-CB 4.19Å; Q70-Q73 WeakPolarHBondContact O-CB 3.41Å; Q70-Q73 PolarHBondContact O-N 2.9Å; Q70-Q73 VanDerWaalsContact O-N 3.12Å; Q73-S77 WeakPolarHBondContact CG-OG 3.22Å; Q73-S77 PolarHBondContact NE2-O 2.87Å; Q73-S77 PolarHBondContact NE2-OG 2.84Å | ||
| 74 | P | 73 | Confident | 77.1 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | trans | -65.9 | 142 | 176.9 | 24.6 | -32.1 | 0 | 0 | 0 | 111.8 | A76 S77 | P74-A76 VanDerWaalsContact C-N 3.26Å; P74-A76 PolarHBondContact O-N 3.12Å; P74-S77 PolarHBondContact O-N 3.35Å; P74-S77 PolarHBondContact O-OG 2.8Å | ||
| 75 | L | 69.5 | Low | 77 | Confident | 128 Ų | 128 | 73.9 Ų | 73.9 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -60 | -32 | -172.9 | -168.2 | 67.1 | 0 | 0 | 0 | 113.4 | S77 T78 | L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 2.96Å; L75-T78 PolarHBondContact O-N 3.12Å; L75-T78 PolarHBondContact O-OG1 3.25Å |
| 76 | A | 72 | Confident | 77.1 | Confident | 90 Ų | 90 | 76 Ų | 76 | 74% | 0.744 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -62.1 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P74 T78 F79 | P74-A76 VanDerWaalsContact C-N 3.26Å; P74-A76 PolarHBondContact O-N 3.12Å; A76-T78 PolarHBondContact O-N 3.1Å; A76-F79 PolarHBondContact O-N 3.34Å |
| 77 | S | 74.6 | Confident | 77.5 | Confident | 47 Ų | 47 | 80 Ų | 80 | 33% | 0.329 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -76.8 | -4.1 | -179.6 | 68.5 | 0 | 0 | 0 | 0 | 114 | Q73 P74 L75 F79 P81 | Q73-S77 WeakPolarHBondContact CG-OG 3.22Å; Q73-S77 PolarHBondContact NE2-O 2.87Å; Q73-S77 PolarHBondContact NE2-OG 2.84Å; P74-S77 PolarHBondContact O-N 3.35Å; P74-S77 PolarHBondContact O-OG 2.8Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 2.96Å; S77-F79 VanDerWaalsContact C-N 3.31Å; S77-P81 WeakPolarHBondContact O-CD 3.49Å |
| 78 | T | 78.2 | Confident | 78.2 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 15% | 0.153 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -84.6 | -5.9 | 175.1 | 66.2 | 0 | 0 | 0 | 0 | 113 | C68 R69 L75 A76 G82 | C68-T78 WeakPolarHBondContact O-CB 3.25Å; R69-T78 HydrophobicContact CB-CG2 3.77Å; R69-T78 HydrophobicContact CG-CG2 3.56Å; L75-T78 PolarHBondContact O-N 3.12Å; L75-T78 PolarHBondContact O-OG1 3.25Å; A76-T78 PolarHBondContact O-N 3.1Å; T78-G82 WeakPolarHBondContact O-CA 3.43Å; T78-G82 PolarHBondContact O-N 3.27Å |
| 79 | F | 78.4 | Confident | 79.2 | Confident | 131 Ų | 131 | 80.8 Ų | 80.8 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.9 | -55.9 | -176.5 | -174.3 | -102.3 | 0 | 0 | 0 | 112.4 | A76 S77 G82 I83 | A76-F79 PolarHBondContact O-N 3.34Å; S77-F79 VanDerWaalsContact C-N 3.31Å; F79-G82 PolarHBondContact O-N 3.26Å; F79-I83 HydrophobicContact CD1-CD1 3.94Å; F79-I83 HydrophobicContact CE1-CD1 3.43Å; F79-I83 VanDerWaalsContact CE1-CD1 3.43Å; F79-I83 HydrophobicContact CE2-CD1 4.33Å; F79-I83 HydrophobicContact CZ-CD1 3.66Å; F79-I83 PolarHBondContact O-N 3.08Å |
| 80 | F | 82.7 | Confident | 80.4 | Confident | 152 Ų | 152 | 77.4 Ų | 77.4 | 67% | 0.667 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.9 | -48.4 | -178.9 | -66.1 | -73.5 | 0 | 0 | 0 | 113.4 | G82 I83 I84 | F80-G82 PolarHBondContact O-N 3.35Å; F80-I83 PolarHBondContact O-N 3.4Å; F80-I84 WeakPolarHBondContact O-CG1 3.43Å; F80-I84 PolarHBondContact O-N 3.12Å; F80-I84 VanDerWaalsContact O-N 3.09Å |
| 81 | P | 83.5 | Confident | 81.8 | Confident | 31 Ų | 31 | 74.5 Ų | 74.5 | 20% | 0.201 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.7 | -33.2 | 173.6 | -23.9 | 34.9 | 0 | 0 | 0 | 112.5 | T66 S77 I84 S85 | T66-P81 HydrophobicContact CG2-CB 4.47Å; S77-P81 WeakPolarHBondContact O-CD 3.49Å; P81-I84 PolarHBondContact O-N 2.96Å; P81-S85 WeakPolarHBondContact O-CB 3.32Å; P81-S85 PolarHBondContact O-N 3.39Å |
| 82 | G | 85.1 | Confident | 83.4 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 19% | 0.186 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T78 F79 F80 S85 L86 | T78-G82 WeakPolarHBondContact O-CA 3.43Å; T78-G82 PolarHBondContact O-N 3.27Å; F79-G82 PolarHBondContact O-N 3.26Å; F80-G82 PolarHBondContact O-N 3.35Å; G82-S85 PolarHBondContact O-N 3Å; G82-L86 WeakPolarHBondContact O-CB 3.34Å; G82-L86 PolarHBondContact O-N 3.46Å |
| 83 | I | 87.3 | Confident | 84.9 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 176.5 | -67.5 | 170.6 | 0 | 0 | 0 | 110.9 | F79 F80 S85 L86 L87 | F79-I83 HydrophobicContact CD1-CD1 3.94Å; F79-I83 HydrophobicContact CE1-CD1 3.43Å; F79-I83 VanDerWaalsContact CE1-CD1 3.43Å; F79-I83 HydrophobicContact CE2-CD1 4.33Å; F79-I83 HydrophobicContact CZ-CD1 3.66Å; F79-I83 PolarHBondContact O-N 3.08Å; F80-I83 PolarHBondContact O-N 3.4Å; I83-S85 VanDerWaalsContact C-N 3.33Å; I83-S85 PolarHBondContact O-N 3.39Å; I83-L86 WeakPolarHBondContact O-CB 3.42Å; I83-L86 PolarHBondContact O-N 2.8Å; I83-L86 VanDerWaalsContact O-N 3.17Å; I83-L87 HydrophobicContact CG2-CD1 4.22Å; I83-L87 HydrophobicContact CG2-CG 4.48Å; I83-L87 WeakPolarHBondContact O-CG 3.39Å; I83-L87 PolarHBondContact O-N 2.87Å |
| 84 | I | 90 | Very high | 86.2 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 178 | -65.2 | 169.8 | 0 | 0 | 0 | 110.1 | T66 F80 P81 L86 L87 Q88 | T66-I84 HydrophobicContact CG2-CG2 4.26Å; F80-I84 WeakPolarHBondContact O-CG1 3.43Å; F80-I84 PolarHBondContact O-N 3.12Å; F80-I84 VanDerWaalsContact O-N 3.09Å; P81-I84 PolarHBondContact O-N 2.96Å; I84-L86 VanDerWaalsContact C-N 3.27Å; I84-L86 PolarHBondContact O-N 3.19Å; I84-L87 PolarHBondContact O-N 3.3Å; I84-Q88 HydrophobicContact CG2-CG 4.46Å; I84-Q88 WeakPolarHBondContact O-CB 3.36Å; I84-Q88 WeakPolarHBondContact O-CG 3.36Å; I84-Q88 PolarHBondContact O-N 2.88Å |
| 85 | S | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.9 | -37.6 | 176.8 | -167.4 | 0 | 0 | 0 | 0 | 111.7 | T66 C68 P81 G82 I83 S89 | T66-S85 VanDerWaalsContact O-CB 3.27Å; T66-S85 WeakPolarHBondContact O-CB 3.44Å; T66-S85 PolarHBondContact O-OG 3.35Å; C68-S85 WeakPolarHBondContact SG-CB 3.34Å; C68-S85 PolarHBondContact SG-OG 3.45Å; C68-S85 VanDerWaalsContact SG-OG 3.37Å; P81-S85 WeakPolarHBondContact O-CB 3.32Å; P81-S85 PolarHBondContact O-N 3.39Å; G82-S85 PolarHBondContact O-N 3Å; I83-S85 VanDerWaalsContact C-N 3.33Å; I83-S85 PolarHBondContact O-N 3.39Å; S85-S89 WeakPolarHBondContact O-CB 3.48Å; S85-S89 PolarHBondContact O-N 2.83Å; S85-S89 PolarHBondContact O-OG 2.95Å |
| 86 | L | 92.4 | Very high | 88.2 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 175.2 | -177.8 | 62 | 0 | 0 | 0 | 111.9 | G82 I83 I84 Q88 S89 F90 P111 M114 A115 | G82-L86 WeakPolarHBondContact O-CB 3.34Å; G82-L86 PolarHBondContact O-N 3.46Å; I83-L86 WeakPolarHBondContact O-CB 3.42Å; I83-L86 PolarHBondContact O-N 2.8Å; I83-L86 VanDerWaalsContact O-N 3.17Å; I84-L86 VanDerWaalsContact C-N 3.27Å; I84-L86 PolarHBondContact O-N 3.19Å; L86-Q88 PolarHBondContact O-N 3.1Å; L86-S89 WeakPolarHBondContact O-CB 3.5Å; L86-S89 PolarHBondContact O-N 3.13Å; L86-S89 VanDerWaalsContact O-N 3.17Å; L86-F90 HydrophobicContact CD1-CD2 4.01Å; L86-F90 HydrophobicContact CD1-CE2 3.57Å; L86-F90 HydrophobicContact CD1-CZ 4.49Å; L86-F90 HydrophobicContact CD2-CE2 4.28Å; L86-F90 HydrophobicContact CG-CD2 3.96Å; L86-F90 HydrophobicContact CG-CE2 3.69Å; L86-F90 WeakPolarHBondContact O-CD2 3.5Å; L86-F90 PolarHBondContact O-N 2.88Å; L86-P111 HydrophobicContact CB-CB 4.03Å; L86-P111 HydrophobicContact CD1-CB 4.11Å; L86-P111 WeakPolarHBondContact CD1-O 3.5Å; L86-M114 HydrophobicContact CD1-CB 4.09Å; L86-M114 HydrophobicContact CD1-CE 4.1Å; L86-A115 HydrophobicContact CD1-CB 4.47Å |
| 87 | L | 93.4 | Very high | 89.3 | Confident | 115 Ų | 115 | 66 Ų | 66 | 60% | 0.602 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 178.8 | -67.4 | 176 | 0 | 0 | 0 | 112.1 | I83 I84 S89 F90 A91 | I83-L87 HydrophobicContact CG2-CD1 4.22Å; I83-L87 HydrophobicContact CG2-CG 4.48Å; I83-L87 WeakPolarHBondContact O-CG 3.39Å; I83-L87 PolarHBondContact O-N 2.87Å; I84-L87 PolarHBondContact O-N 3.3Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-F90 WeakPolarHBondContact O-CB 2.97Å; L87-F90 PolarHBondContact O-N 2.8Å; L87-A91 PolarHBondContact O-N 2.95Å; L87-A91 VanDerWaalsContact O-N 3.09Å |
| 88 | Q | 93.9 | Very high | 90.2 | Very high | 66 Ų | 66 | 64.1 Ų | 64.1 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 173.1 | -72.8 | 170.8 | -20.1 | 0 | 0 | 111.5 | T66 I84 L86 F90 A91 E92 | T66-Q88 PolarHBondContact OG1-NE2 3.3Å; T66-Q88 VanDerWaalsContact OG1-NE2 3.08Å; T66-Q88 PolarHBondContact OG1-OE1 2.88Å; I84-Q88 HydrophobicContact CG2-CG 4.46Å; I84-Q88 WeakPolarHBondContact O-CB 3.36Å; I84-Q88 WeakPolarHBondContact O-CG 3.36Å; I84-Q88 PolarHBondContact O-N 2.88Å; L86-Q88 PolarHBondContact O-N 3.1Å; Q88-F90 VanDerWaalsContact C-N 3.31Å; Q88-F90 PolarHBondContact O-N 3.37Å; Q88-A91 PolarHBondContact O-N 2.71Å; Q88-E92 WeakPolarHBondContact O-CG 3.31Å; Q88-E92 PolarHBondContact O-N 3.08Å |
| 89 | S | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | S85 L86 L87 E92 I93 I112 | S85-S89 WeakPolarHBondContact O-CB 3.48Å; S85-S89 PolarHBondContact O-N 2.83Å; S85-S89 PolarHBondContact O-OG 2.95Å; L86-S89 WeakPolarHBondContact O-CB 3.5Å; L86-S89 PolarHBondContact O-N 3.13Å; L86-S89 VanDerWaalsContact O-N 3.17Å; L87-S89 VanDerWaalsContact C-N 3.33Å; S89-E92 PolarHBondContact O-N 3.06Å; S89-I93 VanDerWaalsContact O-CB 3.3Å; S89-I93 WeakPolarHBondContact O-CB 3.12Å; S89-I93 WeakPolarHBondContact O-CG1 3.46Å; S89-I93 PolarHBondContact O-N 3.11Å; S89-I112 WeakPolarHBondContact OG-CG1 3.36Å; S89-I112 PolarHBondContact OG-N 3.39Å |
| 90 | F | 94.2 | Very high | 91.9 | Very high | 54 Ų | 54 | 60 Ų | 60 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 174.3 | -86.2 | -71.8 | 0 | 0 | 0 | 112.3 | L86 L87 Q88 E92 F94 A115 V118 M119 | L86-F90 HydrophobicContact CD1-CD2 4.01Å; L86-F90 HydrophobicContact CD1-CE2 3.57Å; L86-F90 HydrophobicContact CD1-CZ 4.49Å; L86-F90 HydrophobicContact CD2-CE2 4.28Å; L86-F90 HydrophobicContact CG-CD2 3.96Å; L86-F90 HydrophobicContact CG-CE2 3.69Å; L86-F90 WeakPolarHBondContact O-CD2 3.5Å; L86-F90 PolarHBondContact O-N 2.88Å; L87-F90 WeakPolarHBondContact O-CB 2.97Å; L87-F90 PolarHBondContact O-N 2.8Å; Q88-F90 VanDerWaalsContact C-N 3.31Å; Q88-F90 PolarHBondContact O-N 3.37Å; F90-E92 PolarHBondContact O-N 3.24Å; F90-F94 WeakPolarHBondContact O-CB 3.43Å; F90-F94 PolarHBondContact O-N 2.75Å; F90-A115 HydrophobicContact CB-CB 4.5Å; F90-A115 HydrophobicContact CD1-CB 3.95Å; F90-A115 HydrophobicContact CD2-CB 4.08Å; F90-A115 HydrophobicContact CE1-CB 4.15Å; F90-A115 HydrophobicContact CE2-CB 4.26Å; F90-A115 HydrophobicContact CG-CB 3.91Å; F90-A115 HydrophobicContact CZ-CB 4.29Å; F90-V118 HydrophobicContact CE1-CB 3.69Å; F90-V118 HydrophobicContact CE1-CG1 3.62Å; F90-V118 HydrophobicContact CZ-CB 3.72Å; F90-V118 HydrophobicContact CZ-CG1 3.74Å; F90-V118 HydrophobicContact CZ-CG2 4.12Å; F90-M119 HydrophobicContact CD1-CG 3.96Å; F90-M119 HydrophobicContact CD1-SD 4.38Å; F90-M119 HydrophobicContact CE1-CG 4.19Å |
| 91 | A | 94.5 | Very high | 92.6 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L87 Q88 F94 R95 | L87-A91 PolarHBondContact O-N 2.95Å; L87-A91 VanDerWaalsContact O-N 3.09Å; Q88-A91 PolarHBondContact O-N 2.71Å; A91-F94 PolarHBondContact O-N 3.34Å; A91-R95 VanDerWaalsContact O-CB 3.32Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 2.79Å |
| 92 | E | 94.6 | Very high | 93.2 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.1 | -39.4 | -178 | -67.5 | -59.1 | 147.3 | 0 | 0 | 112.7 | M40 V63 Q88 S89 F90 F94 R95 M96 | M40-E92 HydrophobicContact CE-CB 3.76Å; V63-E92 HydrophobicContact CG1-CB 4.03Å; V63-E92 HydrophobicContact CG1-CG 3.43Å; V63-E92 VanDerWaalsContact CG1-CG 3.43Å; V63-E92 WeakPolarHBondContact CG1-OE2 3.31Å; Q88-E92 WeakPolarHBondContact O-CG 3.31Å; Q88-E92 PolarHBondContact O-N 3.08Å; S89-E92 PolarHBondContact O-N 3.06Å; F90-E92 PolarHBondContact O-N 3.24Å; E92-F94 VanDerWaalsContact C-N 3.34Å; E92-R95 PolarHBondContact O-N 2.82Å; E92-R95 IonicContact OE1-NE 3.94Å; E92-R95 IonicContact OE2-CZ 2.96Å; E92-R95 IonicContact OE2-NE 3.99Å; E92-R95 PolarHBondContact OE2-NE 3.03Å; E92-R95 IonicContact OE2-NH2 3.06Å; E92-R95 PolarHBondContact OE2-NH2 2.93Å; E92-M96 HydrophobicContact CB-CE 4.3Å; E92-M96 VanDerWaalsContact O-CB 3.26Å; E92-M96 WeakPolarHBondContact O-CB 3.47Å; E92-M96 VanDerWaalsContact O-CG 3.28Å; E92-M96 WeakPolarHBondContact O-CG 3.47Å; E92-M96 PolarHBondContact O-N 3.25Å |
| 93 | I | 94.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 173.6 | -66 | -61.9 | 0 | 0 | 0 | 111.1 | M40 S89 R95 R97 P98 I101 I112 A115 A116 M119 R125 | M40-I93 HydrophobicContact CE-CD1 3.65Å; M40-I93 HydrophobicContact CE-CG1 4.12Å; S89-I93 VanDerWaalsContact O-CB 3.3Å; S89-I93 WeakPolarHBondContact O-CB 3.12Å; S89-I93 WeakPolarHBondContact O-CG1 3.46Å; S89-I93 PolarHBondContact O-N 3.11Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 2.9Å; I93-R97 WeakPolarHBondContact O-CA 3.37Å; I93-R97 PolarHBondContact O-N 3.28Å; I93-P98 HydrophobicContact CD1-CG 3.7Å; I93-I101 HydrophobicContact CD1-CD1 3.77Å; I93-I112 HydrophobicContact CD1-CG2 4.15Å; I93-A115 HydrophobicContact CG1-CB 4.31Å; I93-A116 HydrophobicContact CD1-CB 4.45Å; I93-A116 HydrophobicContact CG2-CB 4.3Å; I93-M119 HydrophobicContact CG2-CB 4.19Å; I93-M119 HydrophobicContact CG2-CG 4.08Å; I93-R125 PolarHBondContact O-NH1 3.15Å |
| 94 | F | 93.5 | Very high | 94 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 48% | 0.478 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 174.6 | -175.3 | -85.1 | 0 | 0 | 0 | 111.5 | F90 A91 E92 R97 M119 L123 | F90-F94 WeakPolarHBondContact O-CB 3.43Å; F90-F94 PolarHBondContact O-N 2.75Å; A91-F94 PolarHBondContact O-N 3.34Å; E92-F94 VanDerWaalsContact C-N 3.34Å; F94-R97 WeakPolarHBondContact O-CG 3.34Å; F94-M119 HydrophobicContact CB-CE 3.96Å; F94-M119 HydrophobicContact CD2-CE 3.53Å; F94-M119 HydrophobicContact CD2-SD 4.14Å; F94-M119 HydrophobicContact CE2-CE 4.43Å; F94-M119 HydrophobicContact CG-CE 4.17Å; F94-L123 HydrophobicContact CD2-CD1 4.22Å; F94-L123 HydrophobicContact CE2-CD1 4.04Å |
| 95 | R | 93 | Very high | 93.2 | Very high | 160 Ų | 160 | 43.6 Ų | 43.6 | 60% | 0.604 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -71.6 | -49.9 | -178.1 | -171 | -179.4 | 75.7 | 89.5 | -0.1 | 113.1 | A91 E92 I93 | A91-R95 VanDerWaalsContact O-CB 3.32Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 2.79Å; E92-R95 PolarHBondContact O-N 2.82Å; E92-R95 IonicContact OE1-NE 3.94Å; E92-R95 IonicContact OE2-CZ 2.96Å; E92-R95 IonicContact OE2-NE 3.99Å; E92-R95 PolarHBondContact OE2-NE 3.03Å; E92-R95 IonicContact OE2-NH2 3.06Å; E92-R95 PolarHBondContact OE2-NH2 2.93Å; I93-R95 VanDerWaalsContact C-N 3.34Å; I93-R95 PolarHBondContact O-N 2.9Å |
| 96 | M | 92.5 | Very high | 92.4 | Very high | 19 Ų | 19 | 45.2 Ų | 45.2 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -78.4 | -27.5 | -174.3 | -65.3 | -168.3 | -53.7 | 0 | 0 | 113.4 | L38 M40 V63 E92 | L38-M96 HydrophobicContact CB-SD 3.92Å; L38-M96 HydrophobicContact CD2-CB 4.12Å; L38-M96 HydrophobicContact CD2-CG 3.79Å; L38-M96 HydrophobicContact CD2-SD 3.42Å; L38-M96 WeakPolarHBondContact CD2-SD 3.38Å; L38-M96 HydrophobicContact CG-SD 4.24Å; M40-M96 HydrophobicContact CE-CE 3.06Å; M40-M96 HydrophobicContact CG-CE 4.14Å; M40-M96 HydrophobicContact SD-CE 4.34Å; V63-M96 HydrophobicContact CB-SD 4.36Å; V63-M96 HydrophobicContact CG2-SD 3.59Å; V63-M96 VanDerWaalsContact CG2-SD 3.59Å; E92-M96 HydrophobicContact CB-CE 4.3Å; E92-M96 VanDerWaalsContact O-CB 3.26Å; E92-M96 WeakPolarHBondContact O-CB 3.47Å; E92-M96 VanDerWaalsContact O-CG 3.28Å; E92-M96 WeakPolarHBondContact O-CG 3.47Å; E92-M96 PolarHBondContact O-N 3.25Å |
| 97 | R | 93.4 | Very high | 91.8 | Very high | 155 Ų | 155 | 44.3 Ų | 44.3 | 59% | 0.585 | 22% | 0.216 | S | C | * | . | trans | 48.1 | 54.1 | -177 | -50.9 | -167.3 | 173.6 | 175.6 | -3.7 | 113.2 | I93 F94 | I93-R97 WeakPolarHBondContact O-CA 3.37Å; I93-R97 PolarHBondContact O-N 3.28Å; F94-R97 WeakPolarHBondContact O-CG 3.34Å | ||
| 98 | P | 94.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | trans | -62.2 | 145.3 | 178.2 | 29.7 | -34.6 | 0 | 0 | 0 | 110.8 | C10 I93 I101 C127 | C10-P98 HydrophobicContact CB-CB 3.69Å; C10-P98 HydrophobicContact CB-CG 4.2Å; I93-P98 HydrophobicContact CD1-CG 3.7Å; P98-I101 HydrophobicContact CB-CG1 4.29Å; P98-I101 HydrophobicContact CG-CD1 4.21Å; P98-I101 HydrophobicContact CG-CG1 4.08Å; P98-C127 WeakPolarHBondContact O-CB 3.37Å; P98-C127 PolarHBondContact O-SG 3.47Å | ||
| 99 | E | 95.4 | Very high | 91.4 | Very high | 54 Ų | 54 | 36.2 Ų | 36.2 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -96.5 | -18.8 | 170.6 | -68.6 | 177.9 | 86.5 | 0 | 0 | 111.6 | R3 V7 T8 H128 | R3-E99 IonicContact CZ-OE1 3.95Å; R3-E99 IonicContact NH1-OE1 3.52Å; R3-E99 PolarHBondContact NH1-OE1 2.87Å; R3-E99 IonicContact NH2-OE1 2.71Å; V7-E99 HydrophobicContact CG1-CB 3.66Å; T8-E99 PolarHBondContact N-OE2 2.9Å; T8-E99 VanDerWaalsContact N-OE2 3.1Å; T8-E99 PolarHBondContact O-N 2.87Å; E99-H128 PolarHBondContact O-N 2.75Å |
| 100 | L | 96.7 | Very high | 91.3 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.9 | 177.5 | 176.8 | 63.8 | 0 | 0 | 0 | 109.7 | V7 T8 T9 C10 Y34 L102 H128 I130 | V7-L100 HydrophobicContact CG1-CB 3.76Å; T8-L100 PolarHBondContact O-N 3.48Å; T8-L100 VanDerWaalsContact O-N 3.13Å; T9-L100 CarbonylContact C-O 3.59Å; T9-L100 WeakPolarHBondContact CA-O 3.44Å; T9-L100 HydrophobicContact CG2-CB 4.43Å; T9-L100 HydrophobicContact CG2-CD2 3.93Å; T9-L100 HydrophobicContact CG2-CG 4.2Å; C10-L100 PolarHBondContact N-O 3.03Å; Y34-L100 HydrophobicContact CD1-CD2 3.77Å; Y34-L100 HydrophobicContact CE1-CD2 3.82Å; L100-L102 HydrophobicContact CD1-CD2 3.89Å; L100-L102 HydrophobicContact CD2-CD1 4.34Å; L100-L102 HydrophobicContact CD2-CD2 3.99Å; L100-L102 HydrophobicContact CD2-CG 4.1Å; L100-L102 HydrophobicContact CG-CD2 3.95Å; L100-L102 HydrophobicContact CG-CG 4.07Å; L100-H128 CarbonylContact C-O 3.54Å; L100-H128 WeakPolarHBondContact CA-O 3.3Å; L100-H128 HydrophobicContact CD1-CB 4.1Å; L100-I130 HydrophobicContact CD1-CD1 3.69Å; L100-I130 HydrophobicContact CD1-CG1 3.91Å |
| 101 | I | 97.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.9 | 169.3 | -67.3 | 167.6 | 0 | 0 | 0 | 108.5 | C10 V12 I93 P98 I112 A116 C127 H128 I129 I130 | C10-I101 HydrophobicContact CB-CG1 4.09Å; C10-I101 CarbonylContact O-C 3.56Å; C10-I101 WeakPolarHBondContact O-CA 3.36Å; V12-I101 HydrophobicContact CG2-CG2 4.22Å; I93-I101 HydrophobicContact CD1-CD1 3.77Å; P98-I101 HydrophobicContact CB-CG1 4.29Å; P98-I101 HydrophobicContact CG-CD1 4.21Å; P98-I101 HydrophobicContact CG-CG1 4.08Å; I101-I112 HydrophobicContact CD1-CG2 4.5Å; I101-A116 HydrophobicContact CD1-CB 3.27Å; I101-C127 WeakPolarHBondContact CD1-SG 3.47Å; I101-H128 PolarHBondContact N-O 3.3Å; I101-I129 HydrophobicContact CD1-CG1 4.43Å; I101-I130 PolarHBondContact O-N 3.23Å |
| 102 | L | 96.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.8 | 171.3 | -58.5 | -179.1 | 0 | 0 | 0 | 108.5 | T9 C10 V11 V12 M22 L25 V26 L29 L100 I130 | T9-L102 HydrophobicContact CG2-CD1 4.01Å; T9-L102 HydrophobicContact CG2-CG 4.22Å; C10-L102 PolarHBondContact O-N 3.26Å; V11-L102 WeakPolarHBondContact CA-O 3.47Å; V12-L102 PolarHBondContact N-O 3.14Å; M22-L102 HydrophobicContact CE-CB 3.71Å; L25-L102 HydrophobicContact CD2-CD1 4.16Å; V26-L102 HydrophobicContact CG1-CD1 3.71Å; L29-L102 HydrophobicContact CD1-CD1 3.62Å; L100-L102 HydrophobicContact CD1-CD2 3.89Å; L100-L102 HydrophobicContact CD2-CD1 4.34Å; L100-L102 HydrophobicContact CD2-CD2 3.99Å; L100-L102 HydrophobicContact CD2-CG 4.1Å; L100-L102 HydrophobicContact CG-CD2 3.95Å; L100-L102 HydrophobicContact CG-CG 4.07Å; L102-I130 HydrophobicContact CD2-CB 3.71Å; L102-I130 HydrophobicContact CD2-CD1 4.05Å; L102-I130 HydrophobicContact CD2-CG1 4.29Å; L102-I130 HydrophobicContact CD2-CG2 4.02Å |
| 103 | C | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 153.2 | 179.5 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | V12 C109 C113 I130 Y131 V132 | V12-C103 HydrophobicContact CB-CB 3.7Å; V12-C103 HydrophobicContact CG1-CB 4.48Å; V12-C103 HydrophobicContact CG2-CB 3.82Å; C103-C109 HydrophobicContact CB-CB 3.96Å; C103-C113 VanDerWaalsContact SG-SG 3.65Å; C103-I130 PolarHBondContact N-O 3.27Å; C103-Y131 CarbonylContact O-C 3.52Å; C103-Y131 WeakPolarHBondContact O-CA 3.44Å; C103-V132 PolarHBondContact O-N 2.61Å |
| 104 | N | 92.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.011 | 15% | 0.154 | C | C | . | . | trans | -125.1 | -176.7 | 160.8 | 64.6 | -9.8 | 0 | 0 | 0 | 109.4 | H18 E21 M22 C109 V132 | H18-N104 VanDerWaalsContact CA-ND2 3.29Å; H18-N104 WeakPolarHBondContact CA-ND2 3.46Å; H18-N104 WeakPolarHBondContact CB-ND2 3.38Å; H18-N104 PolarHBondContact ND1-ND2 3.26Å; H18-N104 PolarHBondContact O-ND2 2.85Å; E21-N104 PolarHBondContact OE2-ND2 2.83Å; M22-N104 HydrophobicContact CG-CB 4.22Å; M22-N104 WeakPolarHBondContact CG-ND2 3.17Å; M22-N104 WeakPolarHBondContact CG-OD1 3.4Å; M22-N104 HydrophobicContact SD-CB 3.79Å; M22-N104 VanDerWaalsContact SD-CG 3.57Å; N104-C109 PolarHBondContact O-SG 2.81Å; N104-V132 WeakPolarHBondContact CA-O 3.34Å; N104-V132 WeakPolarHBondContact CB-O 3.2Å | ||
| 105 | G | 74.8 | Confident | 91.3 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -56.1 | 160.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G14 H18 Y131 | G14-G105 WeakPolarHBondContact CA-O 3.26Å; H18-G105 VanDerWaalsContact CB-O 3.32Å; H18-G105 WeakPolarHBondContact CB-O 3.35Å; H18-G105 PolarHBondContact CD2-O 3.48Å; H18-G105 VanDerWaalsContact CD2-O 3.27Å; H18-G105 PolarHBondContact ND1-O 3Å; G105-Y131 PolarHBondContact N-OH 2.78Å; G105-Y131 VanDerWaalsContact N-OH 3.14Å |
| 106 | P | 71.9 | Confident | 91.5 | Very high | 34 Ų | 34 | 20.2 Ų | 20.2 | 22% | 0.221 | 10% | 0.103 | C | C | . | . | S | Bend | cis | -94.5 | -174.8 | 14 | 37.8 | -35.1 | 0 | 0 | 0 | 114.1 | T108 C109 | P106-T108 PolarHBondContact O-N 2.98Å; P106-C109 PolarHBondContact O-N 3.1Å; P106-C109 VanDerWaalsContact O-N 3.08Å; P106-C109 PolarHBondContact O-SG 3.18Å |
| 107 | G | 81.8 | Confident | 91.6 | Very high | 27 Ų | 27 | 23.5 Ų | 23.5 | 28% | 0.278 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -15.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | C109 I110 P111 | G107-C109 PolarHBondContact O-N 3.13Å; G107-I110 WeakPolarHBondContact O-CB 3.5Å; G107-I110 PolarHBondContact O-N 2.74Å; G107-I110 VanDerWaalsContact O-N 3.12Å; G107-P111 VanDerWaalsContact O-CD 3.3Å; G107-P111 WeakPolarHBondContact O-CD 3.36Å |
| 108 | T | 84.8 | Confident | 91.6 | Very high | 11 Ų | 11 | 18.4 Ų | 18.4 | 7% | 0.067 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.8 | 172.2 | -45.9 | 0 | 0 | 0 | 0 | 113 | I65 P106 I110 P111 I112 | I65-T108 HydrophobicContact CD1-CG2 3.39Å; I65-T108 HydrophobicContact CG1-CG2 3.89Å; P106-T108 PolarHBondContact O-N 2.98Å; T108-I110 PolarHBondContact O-N 3.31Å; T108-P111 WeakPolarHBondContact O-CD 3.46Å; T108-I112 WeakPolarHBondContact O-CD1 3.3Å |
| 109 | C | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.7 | -23.5 | 176 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | V12 C103 N104 P106 G107 I112 C113 | V12-C109 HydrophobicContact CG1-CB 4.19Å; C103-C109 HydrophobicContact CB-CB 3.96Å; N104-C109 PolarHBondContact O-SG 2.81Å; P106-C109 PolarHBondContact O-N 3.1Å; P106-C109 VanDerWaalsContact O-N 3.08Å; P106-C109 PolarHBondContact O-SG 3.18Å; G107-C109 PolarHBondContact O-N 3.13Å; C109-I112 PolarHBondContact O-N 2.9Å; C109-C113 WeakPolarHBondContact O-CB 3.29Å; C109-C113 PolarHBondContact O-N 3.12Å; C109-C113 PolarHBondContact O-SG 2.75Å |
| 110 | I | 93.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 10% | 0.097 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66 | -51.3 | -175.4 | -60 | -60.4 | 0 | 0 | 0 | 111.9 | G107 T108 I112 C113 M114 I147 L148 | G107-I110 WeakPolarHBondContact O-CB 3.5Å; G107-I110 PolarHBondContact O-N 2.74Å; G107-I110 VanDerWaalsContact O-N 3.12Å; T108-I110 PolarHBondContact O-N 3.31Å; I110-I112 VanDerWaalsContact C-N 3.26Å; I110-I112 PolarHBondContact O-N 3.02Å; I110-C113 PolarHBondContact O-N 2.86Å; I110-M114 HydrophobicContact CG2-CE 3.84Å; I110-M114 HydrophobicContact CG2-CG 4.35Å; I110-M114 HydrophobicContact CG2-SD 4.06Å; I110-M114 WeakPolarHBondContact O-CB 3.32Å; I110-M114 VanDerWaalsContact O-CG 3.3Å; I110-M114 WeakPolarHBondContact O-CG 2.96Å; I110-M114 PolarHBondContact O-N 2.8Å; I110-I147 HydrophobicContact CD1-CB 4.23Å; I110-I147 HydrophobicContact CD1-CG2 4.15Å; I110-I147 HydrophobicContact CG2-CG2 4.29Å; I110-L148 HydrophobicContact CD1-CD1 4.01Å; I110-L148 HydrophobicContact CD1-CD2 3.93Å; I110-L148 HydrophobicContact CD1-CG 3.65Å |
| 111 | P | 92.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 5% | 0.045 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.3 | -37.9 | 173.1 | -17 | 19.1 | 0 | 0 | 0 | 114.2 | C68 L86 G107 T108 M114 A115 | C68-P111 WeakPolarHBondContact SG-CG 3.47Å; L86-P111 HydrophobicContact CB-CB 4.03Å; L86-P111 HydrophobicContact CD1-CB 4.11Å; L86-P111 WeakPolarHBondContact CD1-O 3.5Å; G107-P111 VanDerWaalsContact O-CD 3.3Å; G107-P111 WeakPolarHBondContact O-CD 3.36Å; T108-P111 WeakPolarHBondContact O-CD 3.46Å; P111-M114 PolarHBondContact O-N 2.86Å; P111-A115 VanDerWaalsContact O-CB 3.28Å; P111-A115 WeakPolarHBondContact O-CB 3.36Å; P111-A115 PolarHBondContact O-N 3.4Å |
| 112 | I | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -49.1 | 178.9 | -55.5 | 164.6 | 0 | 0 | 0 | 110.8 | V12 M40 I65 S89 I93 I101 T108 C109 I110 M114 A115 A116 | V12-I112 HydrophobicContact CB-CD1 4.19Å; V12-I112 HydrophobicContact CG1-CD1 3.5Å; V12-I112 HydrophobicContact CG2-CD1 3.57Å; V12-I112 HydrophobicContact CG2-CG2 4.12Å; M40-I112 HydrophobicContact CB-CD1 4.43Å; M40-I112 HydrophobicContact CE-CG2 4.21Å; M40-I112 HydrophobicContact SD-CB 4.43Å; M40-I112 HydrophobicContact SD-CD1 3.75Å; M40-I112 HydrophobicContact SD-CG1 3.92Å; M40-I112 HydrophobicContact SD-CG2 3.61Å; I65-I112 HydrophobicContact CD1-CD1 3.25Å; I65-I112 HydrophobicContact CD1-CG1 3.73Å; S89-I112 WeakPolarHBondContact OG-CG1 3.36Å; S89-I112 PolarHBondContact OG-N 3.39Å; I93-I112 HydrophobicContact CD1-CG2 4.15Å; I101-I112 HydrophobicContact CD1-CG2 4.5Å; T108-I112 WeakPolarHBondContact O-CD1 3.3Å; C109-I112 PolarHBondContact O-N 2.9Å; I110-I112 VanDerWaalsContact C-N 3.26Å; I110-I112 PolarHBondContact O-N 3.02Å; I112-M114 VanDerWaalsContact C-N 3.34Å; I112-M114 PolarHBondContact O-N 2.85Å; I112-A115 PolarHBondContact O-N 2.68Å; I112-A116 PolarHBondContact O-N 3.21Å |
| 113 | C | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 178.5 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | C103 C109 I110 A116 F117 I129 L148 I153 | C103-C113 VanDerWaalsContact SG-SG 3.65Å; C109-C113 WeakPolarHBondContact O-CB 3.29Å; C109-C113 PolarHBondContact O-N 3.12Å; C109-C113 PolarHBondContact O-SG 2.75Å; I110-C113 PolarHBondContact O-N 2.86Å; C113-A116 PolarHBondContact O-N 3Å; C113-F117 WeakPolarHBondContact O-CB 3.07Å; C113-F117 PolarHBondContact O-N 2.77Å; C113-I129 HydrophobicContact CB-CD1 4.38Å; C113-I129 HydrophobicContact CB-CG2 4.21Å; C113-I129 WeakPolarHBondContact O-CD1 3.21Å; C113-L148 HydrophobicContact CB-CD2 3.79Å; C113-I153 HydrophobicContact CB-CG2 3.79Å |
| 114 | M | 94.3 | Very high | 90.1 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 32% | 0.32 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.1 | -72.6 | -172.8 | -52.9 | 0 | 0 | 111.6 | L86 I110 P111 I112 F117 V118 I153 | L86-M114 HydrophobicContact CD1-CB 4.09Å; L86-M114 HydrophobicContact CD1-CE 4.1Å; I110-M114 HydrophobicContact CG2-CE 3.84Å; I110-M114 HydrophobicContact CG2-CG 4.35Å; I110-M114 HydrophobicContact CG2-SD 4.06Å; I110-M114 WeakPolarHBondContact O-CB 3.32Å; I110-M114 VanDerWaalsContact O-CG 3.3Å; I110-M114 WeakPolarHBondContact O-CG 2.96Å; I110-M114 PolarHBondContact O-N 2.8Å; P111-M114 PolarHBondContact O-N 2.86Å; I112-M114 VanDerWaalsContact C-N 3.34Å; I112-M114 PolarHBondContact O-N 2.85Å; M114-F117 PolarHBondContact O-N 3.16Å; M114-V118 WeakPolarHBondContact O-CB 3.4Å; M114-V118 VanDerWaalsContact O-CG2 3.32Å; M114-V118 WeakPolarHBondContact O-CG2 3.42Å; M114-V118 PolarHBondContact O-N 2.88Å; M114-I153 HydrophobicContact CG-CD1 3.85Å |
| 115 | A | 94.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L86 F90 I93 P111 I112 V118 M119 | L86-A115 HydrophobicContact CD1-CB 4.47Å; F90-A115 HydrophobicContact CB-CB 4.5Å; F90-A115 HydrophobicContact CD1-CB 3.95Å; F90-A115 HydrophobicContact CD2-CB 4.08Å; F90-A115 HydrophobicContact CE1-CB 4.15Å; F90-A115 HydrophobicContact CE2-CB 4.26Å; F90-A115 HydrophobicContact CG-CB 3.91Å; F90-A115 HydrophobicContact CZ-CB 4.29Å; I93-A115 HydrophobicContact CG1-CB 4.31Å; P111-A115 VanDerWaalsContact O-CB 3.28Å; P111-A115 WeakPolarHBondContact O-CB 3.36Å; P111-A115 PolarHBondContact O-N 3.4Å; I112-A115 PolarHBondContact O-N 2.68Å; A115-V118 PolarHBondContact O-N 3.05Å; A115-M119 WeakPolarHBondContact O-CB 3.35Å; A115-M119 WeakPolarHBondContact O-CG 3.37Å; A115-M119 PolarHBondContact O-N 3.36Å |
| 116 | A | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I93 I101 I112 C113 V118 M119 D120 I129 | I93-A116 HydrophobicContact CD1-CB 4.45Å; I93-A116 HydrophobicContact CG2-CB 4.3Å; I101-A116 HydrophobicContact CD1-CB 3.27Å; I112-A116 PolarHBondContact O-N 3.21Å; C113-A116 PolarHBondContact O-N 3Å; A116-V118 PolarHBondContact O-N 3.43Å; A116-M119 WeakPolarHBondContact O-CB 3.42Å; A116-M119 PolarHBondContact O-N 2.9Å; A116-D120 WeakPolarHBondContact O-CB 3.48Å; A116-D120 PolarHBondContact O-N 3.36Å; A116-I129 HydrophobicContact CB-CD1 3.9Å; A116-I129 HydrophobicContact CB-CG1 4.39Å |
| 117 | F | 95.1 | Very high | 91.4 | Very high | 88 Ų | 88 | 46.1 Ų | 46.1 | 39% | 0.386 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.2 | 175.4 | -98.4 | 0 | 0 | 0 | 112.9 | C113 M114 M119 D120 L121 I129 I153 | C113-F117 WeakPolarHBondContact O-CB 3.07Å; C113-F117 PolarHBondContact O-N 2.77Å; M114-F117 PolarHBondContact O-N 3.16Å; F117-M119 VanDerWaalsContact C-N 3.33Å; F117-D120 PolarHBondContact O-N 3.25Å; F117-L121 WeakPolarHBondContact O-CB 3.06Å; F117-L121 PolarHBondContact O-N 3.24Å; F117-I129 HydrophobicContact CB-CD1 4.39Å; F117-I153 HydrophobicContact CB-CG1 4.29Å; F117-I153 HydrophobicContact CB-CG2 3.95Å; F117-I153 HydrophobicContact CD1-CG1 4.21Å; F117-I153 HydrophobicContact CD2-CG1 4.29Å; F117-I153 HydrophobicContact CG-CG1 4Å; F117-I153 HydrophobicContact CG-CG2 4.45Å |
| 118 | V | 93.8 | Very high | 92.1 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | F90 M114 A115 A116 L121 L122 | F90-V118 HydrophobicContact CE1-CB 3.69Å; F90-V118 HydrophobicContact CE1-CG1 3.62Å; F90-V118 HydrophobicContact CZ-CB 3.72Å; F90-V118 HydrophobicContact CZ-CG1 3.74Å; F90-V118 HydrophobicContact CZ-CG2 4.12Å; M114-V118 WeakPolarHBondContact O-CB 3.4Å; M114-V118 VanDerWaalsContact O-CG2 3.32Å; M114-V118 WeakPolarHBondContact O-CG2 3.42Å; M114-V118 PolarHBondContact O-N 2.88Å; A115-V118 PolarHBondContact O-N 3.05Å; A116-V118 PolarHBondContact O-N 3.43Å; V118-L121 PolarHBondContact O-N 2.56Å; V118-L122 HydrophobicContact CG1-CD1 3.63Å; V118-L122 HydrophobicContact CG1-CG 4.13Å; V118-L122 WeakPolarHBondContact O-CB 3.24Å; V118-L122 VanDerWaalsContact O-CG 3.26Å; V118-L122 WeakPolarHBondContact O-CG 3.39Å; V118-L122 PolarHBondContact O-N 3.13Å |
| 119 | M | 92.5 | Very high | 92.6 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 7% | 0.069 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -39.3 | 176.1 | -79.8 | -69.3 | -59.7 | 0 | 0 | 112.8 | F90 I93 F94 A115 A116 F117 L123 | F90-M119 HydrophobicContact CD1-CG 3.96Å; F90-M119 HydrophobicContact CD1-SD 4.38Å; F90-M119 HydrophobicContact CE1-CG 4.19Å; I93-M119 HydrophobicContact CG2-CB 4.19Å; I93-M119 HydrophobicContact CG2-CG 4.08Å; F94-M119 HydrophobicContact CB-CE 3.96Å; F94-M119 HydrophobicContact CD2-CE 3.53Å; F94-M119 HydrophobicContact CD2-SD 4.14Å; F94-M119 HydrophobicContact CE2-CE 4.43Å; F94-M119 HydrophobicContact CG-CE 4.17Å; A115-M119 WeakPolarHBondContact O-CB 3.35Å; A115-M119 WeakPolarHBondContact O-CG 3.37Å; A115-M119 PolarHBondContact O-N 3.36Å; A116-M119 WeakPolarHBondContact O-CB 3.42Å; A116-M119 PolarHBondContact O-N 2.9Å; F117-M119 VanDerWaalsContact C-N 3.33Å; M119-L123 HydrophobicContact CE-CD1 3.27Å; M119-L123 HydrophobicContact CE-CG 4.13Å; M119-L123 VanDerWaalsContact O-CB 3.31Å; M119-L123 WeakPolarHBondContact O-CB 3.34Å; M119-L123 PolarHBondContact O-N 3.5Å; M119-L123 HydrophobicContact SD-CD1 4.15Å |
| 120 | D | 91.6 | Very high | 92.9 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 16% | 0.16 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 174.3 | -77.6 | 2.1 | 0 | 0 | 0 | 111.4 | A116 F117 F124 R125 C127 | A116-D120 WeakPolarHBondContact O-CB 3.48Å; A116-D120 PolarHBondContact O-N 3.36Å; F117-D120 PolarHBondContact O-N 3.25Å; D120-F124 VanDerWaalsContact O-CA 3.26Å; D120-F124 WeakPolarHBondContact O-CA 3.45Å; D120-F124 PolarHBondContact O-N 3.01Å; D120-R125 WeakPolarHBondContact CB-O 3.42Å; D120-R125 PolarHBondContact O-N 2.96Å; D120-R125 WeakPolarHBondContact OD1-CB 3.4Å; D120-C127 VanDerWaalsContact OD1-CB 3.31Å; D120-C127 WeakPolarHBondContact OD1-CB 3.32Å; D120-C127 PolarHBondContact OD1-N 3.49Å; D120-C127 WeakPolarHBondContact OD2-CA 3.15Å; D120-C127 VanDerWaalsContact OD2-CB 3.25Å; D120-C127 WeakPolarHBondContact OD2-CB 3.29Å; D120-C127 PolarHBondContact OD2-N 3.24Å |
| 121 | L | 92.1 | Very high | 93 | Very high | 118 Ų | 118 | 49.2 Ų | 49.2 | 62% | 0.618 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.3 | -43.7 | 176.8 | -174.4 | 66.2 | 0 | 0 | 0 | 112.6 | F117 V118 | F117-L121 WeakPolarHBondContact O-CB 3.06Å; F117-L121 PolarHBondContact O-N 3.24Å; V118-L121 PolarHBondContact O-N 2.56Å |
| 122 | L | 92.3 | Very high | 93.2 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 61% | 0.613 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -80.8 | -35 | -174.9 | -69.1 | 177.9 | 0 | 0 | 0 | 113.6 | V118 | V118-L122 HydrophobicContact CG1-CD1 3.63Å; V118-L122 HydrophobicContact CG1-CG 4.13Å; V118-L122 WeakPolarHBondContact O-CB 3.24Å; V118-L122 VanDerWaalsContact O-CG 3.26Å; V118-L122 WeakPolarHBondContact O-CG 3.39Å; V118-L122 PolarHBondContact O-N 3.13Å |
| 123 | L | 91.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 41% | 0.414 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -109.4 | 9.4 | -174.3 | -57.5 | -169.6 | 0 | 0 | 0 | 113.6 | F94 M119 R125 | F94-L123 HydrophobicContact CD2-CD1 4.22Å; F94-L123 HydrophobicContact CE2-CD1 4.04Å; M119-L123 HydrophobicContact CE-CD1 3.27Å; M119-L123 HydrophobicContact CE-CG 4.13Å; M119-L123 VanDerWaalsContact O-CB 3.31Å; M119-L123 WeakPolarHBondContact O-CB 3.34Å; M119-L123 PolarHBondContact O-N 3.5Å; M119-L123 HydrophobicContact SD-CD1 4.15Å; L123-R125 HydrophobicContact CB-CG 4.03Å; L123-R125 PolarHBondContact O-N 2.98Å |
| 124 | F | 85.3 | Confident | 93.1 | Very high | 189 Ų | 189 | 49.6 Ų | 49.6 | 83% | 0.829 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 38.3 | -176.2 | -57.9 | -83.5 | 0 | 0 | 0 | 112.8 | D120 | D120-F124 VanDerWaalsContact O-CA 3.26Å; D120-F124 WeakPolarHBondContact O-CA 3.45Å; D120-F124 PolarHBondContact O-N 3.01Å |
| 125 | R | 83.9 | Confident | 92.9 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 21% | 0.211 | 24% | 0.244 | C | C | . | . | trans | -84.7 | 162.8 | 174.6 | -67.4 | 179.3 | -177.3 | -172.8 | 4.3 | 110.1 | I93 D120 L123 | I93-R125 PolarHBondContact O-NH1 3.15Å; D120-R125 WeakPolarHBondContact CB-O 3.42Å; D120-R125 PolarHBondContact O-N 2.96Å; D120-R125 WeakPolarHBondContact OD1-CB 3.4Å; L123-R125 HydrophobicContact CB-CG 4.03Å; L123-R125 PolarHBondContact O-N 2.98Å | ||
| 126 | T | 87.6 | Confident | 92.7 | Very high | 95 Ų | 95 | 54 Ų | 54 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | trans | -123.5 | 62.3 | -179.3 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 127 | C | 94.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | trans | -84.8 | 112.2 | 175.8 | 177.1 | 0 | 0 | 0 | 0 | 109.7 | P98 I101 D120 I129 | P98-C127 WeakPolarHBondContact O-CB 3.37Å; P98-C127 PolarHBondContact O-SG 3.47Å; I101-C127 WeakPolarHBondContact CD1-SG 3.47Å; D120-C127 VanDerWaalsContact OD1-CB 3.31Å; D120-C127 WeakPolarHBondContact OD1-CB 3.32Å; D120-C127 PolarHBondContact OD1-N 3.49Å; D120-C127 WeakPolarHBondContact OD2-CA 3.15Å; D120-C127 VanDerWaalsContact OD2-CB 3.25Å; D120-C127 WeakPolarHBondContact OD2-CB 3.29Å; D120-C127 PolarHBondContact OD2-N 3.24Å; C127-I129 PolarHBondContact O-N 3.3Å | ||
| 128 | H | 95.5 | Very high | 92.2 | Very high | 91 Ų | 91 | 57 Ų | 57 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 125.6 | 176.4 | -70.2 | -67.4 | 0 | 0 | 0 | 111.3 | E99 L100 I101 D155 | E99-H128 PolarHBondContact O-N 2.75Å; L100-H128 CarbonylContact C-O 3.54Å; L100-H128 WeakPolarHBondContact CA-O 3.3Å; L100-H128 HydrophobicContact CD1-CB 4.1Å; I101-H128 PolarHBondContact N-O 3.3Å; H128-D155 WeakPolarHBondContact CA-OD2 3.46Å; H128-D155 IonicContact ND1-OD2 3.76Å |
| 129 | I | 96.9 | Very high | 92 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 113.3 | 179.2 | -58.2 | 174.1 | 0 | 0 | 0 | 109.3 | I101 C113 A116 F117 C127 I153 A154 D155 H156 | I101-I129 HydrophobicContact CD1-CG1 4.43Å; C113-I129 HydrophobicContact CB-CD1 4.38Å; C113-I129 HydrophobicContact CB-CG2 4.21Å; C113-I129 WeakPolarHBondContact O-CD1 3.21Å; A116-I129 HydrophobicContact CB-CD1 3.9Å; A116-I129 HydrophobicContact CB-CG1 4.39Å; F117-I129 HydrophobicContact CB-CD1 4.39Å; C127-I129 PolarHBondContact O-N 3.3Å; I129-I153 HydrophobicContact CD1-CG2 3.92Å; I129-A154 HydrophobicContact CG2-CB 4.13Å; I129-D155 PolarHBondContact N-OD2 3.1Å; I129-D155 PolarHBondContact O-N 3.47Å; I129-H156 PolarHBondContact O-N 2.78Å |
| 130 | I | 96.8 | Very high | 92 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.5 | 176.7 | -60.9 | -174.8 | 0 | 0 | 0 | 109.4 | L100 I101 L102 C103 V132 H156 F158 | L100-I130 HydrophobicContact CD1-CD1 3.69Å; L100-I130 HydrophobicContact CD1-CG1 3.91Å; I101-I130 PolarHBondContact O-N 3.23Å; L102-I130 HydrophobicContact CD2-CB 3.71Å; L102-I130 HydrophobicContact CD2-CD1 4.05Å; L102-I130 HydrophobicContact CD2-CG1 4.29Å; L102-I130 HydrophobicContact CD2-CG2 4.02Å; C103-I130 PolarHBondContact N-O 3.27Å; I130-V132 HydrophobicContact CG2-CG2 4.2Å; I130-H156 HydrophobicContact CG1-CB 4.42Å; I130-F158 HydrophobicContact CD1-CE2 4.25Å; I130-F158 HydrophobicContact CG2-CD2 3.36Å; I130-F158 HydrophobicContact CG2-CE2 3.33Å |
| 131 | Y | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.6 | 172.2 | -173.1 | -84.1 | 0 | 0 | 0 | 110.5 | C103 G105 E133 S142 A145 L148 H156 L157 F158 | C103-Y131 CarbonylContact O-C 3.52Å; C103-Y131 WeakPolarHBondContact O-CA 3.44Å; G105-Y131 PolarHBondContact N-OH 2.78Å; G105-Y131 VanDerWaalsContact N-OH 3.14Å; Y131-E133 HydrophobicContact CE1-CB 4.18Å; Y131-S142 PolarHBondContact OH-OG 2.75Å; Y131-A145 HydrophobicContact CD1-CB 4.06Å; Y131-A145 HydrophobicContact CE1-CB 3.41Å; Y131-A145 VanDerWaalsContact CE1-CB 3.41Å; Y131-L148 HydrophobicContact CD2-CD1 3.22Å; Y131-L148 HydrophobicContact CE2-CD1 3.85Å; Y131-L148 HydrophobicContact CG-CD1 3.76Å; Y131-H156 PolarHBondContact N-O 3.42Å; Y131-L157 HydrophobicContact CD1-CD1 4.5Å; Y131-L157 HydrophobicContact CD1-CD2 4.15Å; Y131-L157 HydrophobicContact CD1-CG 3.92Å; Y131-L157 CarbonylContact O-C 3.53Å; Y131-L157 VanDerWaalsContact O-CA 3.32Å; Y131-L157 WeakPolarHBondContact O-CA 3.35Å; Y131-F158 PolarHBondContact O-N 2.88Å |
| 132 | V | 95.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 114.2 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | L25 C103 N104 I130 F158 I174 F177 | L25-V132 HydrophobicContact CD1-CB 4.34Å; L25-V132 HydrophobicContact CD1-CG1 3.98Å; L25-V132 HydrophobicContact CD1-CG2 3.76Å; C103-V132 PolarHBondContact O-N 2.61Å; N104-V132 WeakPolarHBondContact CA-O 3.34Å; N104-V132 WeakPolarHBondContact CB-O 3.2Å; I130-V132 HydrophobicContact CG2-CG2 4.2Å; V132-F158 HydrophobicContact CG1-CB 4.48Å; V132-F158 HydrophobicContact CG2-CB 4.34Å; V132-F158 HydrophobicContact CG2-CD2 4.22Å; V132-I174 HydrophobicContact CG1-CD1 4.39Å; V132-F177 HydrophobicContact CG1-CE1 4.23Å; V132-F177 HydrophobicContact CG1-CZ 4.43Å |
| 133 | E | 95.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | trans | -65.5 | 150 | 174.7 | -174.7 | 58.7 | -88.2 | 0 | 0 | 110.4 | Y131 R137 L141 S142 A145 L157 F158 V159 Q160 L164 | Y131-E133 HydrophobicContact CE1-CB 4.18Å; E133-R137 HydrophobicContact CG-CB 3.64Å; E133-R137 HydrophobicContact CG-CG 3.95Å; E133-R137 WeakPolarHBondContact OE1-CG 3.13Å; E133-L141 HydrophobicContact CB-CD2 4.49Å; E133-L141 HydrophobicContact CG-CD2 4.17Å; E133-S142 WeakPolarHBondContact OE1-CB 3.47Å; E133-S142 PolarHBondContact OE1-OG 2.89Å; E133-S142 VanDerWaalsContact OE2-CB 3.29Å; E133-S142 WeakPolarHBondContact OE2-CB 3.39Å; E133-S142 PolarHBondContact OE2-N 2.85Å; E133-S142 PolarHBondContact OE2-OG 3.01Å; E133-A145 WeakPolarHBondContact OE2-CB 3.42Å; E133-L157 HydrophobicContact CB-CD2 4.4Å; E133-F158 WeakPolarHBondContact CB-O 3.28Å; E133-F158 PolarHBondContact N-O 2.72Å; E133-V159 HydrophobicContact CB-CG1 4.26Å; E133-Q160 VanDerWaalsContact O-CD 3.24Å; E133-Q160 PolarHBondContact O-NE2 3.28Å; E133-Q160 PolarHBondContact O-OE1 3.3Å; E133-L164 HydrophobicContact CG-CD2 4.33Å | ||
| 134 | S | 92.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | trans | -71.3 | 146.7 | 178.9 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | H18 E21 C136 R137 | H18-S134 VanDerWaalsContact CE1-CB 3.44Å; H18-S134 WeakPolarHBondContact CE1-CB 3.1Å; E21-S134 PolarHBondContact OE1-OG 3.46Å; E21-S134 WeakPolarHBondContact OE2-CA 3.43Å; E21-S134 VanDerWaalsContact OE2-CB 3.28Å; E21-S134 WeakPolarHBondContact OE2-CB 3.46Å; E21-S134 PolarHBondContact OE2-OG 2.86Å; E21-S134 VanDerWaalsContact OE2-OG 3.1Å; S134-C136 PolarHBondContact O-N 2.95Å; S134-C136 VanDerWaalsContact O-N 3.1Å; S134-C136 PolarHBondContact OG-N 3.34Å; S134-R137 WeakPolarHBondContact O-CB 3.03Å; S134-R137 PolarHBondContact O-N 3.4Å | ||
| 135 | I | 91.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -29.1 | 177.8 | -58.1 | 171.1 | 0 | 0 | 0 | 110.6 | E21 R137 Q160 W161 | E21-I135 HydrophobicContact CG-CD1 4.22Å; E21-I135 WeakPolarHBondContact OE1-CB 3.32Å; E21-I135 PolarHBondContact OE1-N 2.89Å; I135-R137 PolarHBondContact O-N 3.21Å; I135-Q160 HydrophobicContact CG1-CG 4.16Å; I135-W161 PolarHBondContact O-NE1 3.43Å |
| 136 | C | 90.6 | Very high | 93.1 | Very high | 109 Ų | 109 | 43.7 Ų | 43.7 | 74% | 0.736 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.1 | 177.2 | -59.1 | 0 | 0 | 0 | 0 | 114.1 | S134 V138 | S134-C136 PolarHBondContact O-N 2.95Å; S134-C136 VanDerWaalsContact O-N 3.1Å; S134-C136 PolarHBondContact OG-N 3.34Å; C136-V138 PolarHBondContact O-N 3.42Å |
| 137 | R | 90.2 | Very high | 93.4 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | trans | -93.6 | 87.1 | -177.8 | -68.8 | -56.1 | -155.4 | 161.5 | -3.5 | 112 | E133 S134 I135 T140 L164 | E133-R137 HydrophobicContact CG-CB 3.64Å; E133-R137 HydrophobicContact CG-CG 3.95Å; E133-R137 WeakPolarHBondContact OE1-CG 3.13Å; S134-R137 WeakPolarHBondContact O-CB 3.03Å; S134-R137 PolarHBondContact O-N 3.4Å; I135-R137 PolarHBondContact O-N 3.21Å; R137-T140 WeakPolarHBondContact CD-O 3.47Å; R137-L164 WeakPolarHBondContact O-CD2 3.44Å | ||
| 138 | V | 90.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 34% | 0.339 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -81.9 | -46.1 | -177.2 | -171.2 | 0 | 0 | 0 | 0 | 113 | C136 W161 | C136-V138 PolarHBondContact O-N 3.42Å; V138-W161 HydrophobicContact CB-CD2 4.28Å; V138-W161 HydrophobicContact CB-CG 4.44Å; V138-W161 HydrophobicContact CG1-CD2 3.83Å; V138-W161 HydrophobicContact CG1-CE3 3.88Å; V138-W161 HydrophobicContact CG1-CG 4.21Å; V138-W161 HydrophobicContact CG1-CH2 4.46Å; V138-W161 HydrophobicContact CG1-CZ2 4.49Å; V138-W161 HydrophobicContact CG1-CZ3 4.18Å; V138-W161 HydrophobicContact CG2-CD2 4.23Å; V138-W161 HydrophobicContact CG2-CH2 4.19Å; V138-W161 HydrophobicContact CG2-CZ2 3.68Å |
| 139 | T | 88.8 | Confident | 93.4 | Very high | 100 Ų | 100 | 39 Ų | 39 | 61% | 0.613 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -109 | -25.1 | -166.4 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 140 | T | 93.5 | Very high | 93.3 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -143.1 | 141.6 | -174.8 | 54.4 | 0 | 0 | 0 | 0 | 111 | R137 | R137-T140 WeakPolarHBondContact CD-O 3.47Š|
| 141 | L | 93.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | trans | -64 | 145 | 171 | -73.7 | 178.7 | 0 | 0 | 0 | 110 | E133 A145 R146 Y149 L157 V159 L164 Y168 | E133-L141 HydrophobicContact CB-CD2 4.49Å; E133-L141 HydrophobicContact CG-CD2 4.17Å; L141-A145 HydrophobicContact CB-CB 4.01Å; L141-A145 HydrophobicContact CD1-CB 4.49Å; L141-A145 HydrophobicContact CD2-CB 3.95Å; L141-A145 HydrophobicContact CG-CB 4.36Å; L141-R146 HydrophobicContact CB-CG 3.62Å; L141-R146 HydrophobicContact CD1-CG 4.38Å; L141-Y149 HydrophobicContact CD1-CD2 4.41Å; L141-Y149 HydrophobicContact CD1-CG 4.3Å; L141-L157 HydrophobicContact CD1-CD1 4.45Å; L141-L157 HydrophobicContact CD2-CD2 4.04Å; L141-V159 HydrophobicContact CD2-CG1 4.07Å; L141-L164 HydrophobicContact CD2-CD1 4.43Å; L141-L164 HydrophobicContact CD2-CD2 3.77Å; L141-L164 HydrophobicContact CD2-CG 4.13Å; L141-L164 HydrophobicContact CG-CD1 4.3Å; L141-L164 HydrophobicContact CG-CD2 4.49Å; L141-L164 HydrophobicContact CG-CG 4.46Å; L141-Y168 HydrophobicContact CB-CE2 4.19Å; L141-Y168 HydrophobicContact CD1-CD1 3.56Å; L141-Y168 HydrophobicContact CD1-CD2 3.73Å; L141-Y168 HydrophobicContact CD1-CE1 3.72Å; L141-Y168 HydrophobicContact CD1-CE2 3.89Å; L141-Y168 HydrophobicContact CD1-CG 3.56Å; L141-Y168 HydrophobicContact CG-CD1 4.37Å; L141-Y168 HydrophobicContact CG-CD2 3.66Å; L141-Y168 HydrophobicContact CG-CE1 4.32Å; L141-Y168 HydrophobicContact CG-CE2 3.61Å; L141-Y168 HydrophobicContact CG-CG 4.05Å | ||
| 142 | S | 93.2 | Very high | 93 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | trans | -57.7 | 159.6 | 167.4 | 63.9 | 0 | 0 | 0 | 0 | 111.3 | Y131 E133 S144 A145 R146 | Y131-S142 PolarHBondContact OH-OG 2.75Å; E133-S142 WeakPolarHBondContact OE1-CB 3.47Å; E133-S142 PolarHBondContact OE1-OG 2.89Å; E133-S142 VanDerWaalsContact OE2-CB 3.29Å; E133-S142 WeakPolarHBondContact OE2-CB 3.39Å; E133-S142 PolarHBondContact OE2-N 2.85Å; E133-S142 PolarHBondContact OE2-OG 3.01Å; S142-S144 VanDerWaalsContact C-N 3.26Å; S142-S144 PolarHBondContact O-N 3.16Å; S142-A145 PolarHBondContact O-N 2.99Å; S142-A145 WeakPolarHBondContact OG-CB 3.42Å; S142-A145 PolarHBondContact OG-N 2.93Å; S142-A145 VanDerWaalsContact OG-N 3.13Å; S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 WeakPolarHBondContact O-CG 3.41Å; S142-R146 PolarHBondContact O-N 2.95Å | ||
| 143 | L | 91 | Very high | 92.9 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 47% | 0.466 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 176 | -179.2 | 62.5 | 0 | 0 | 0 | 110.9 | R146 I147 | L143-R146 PolarHBondContact O-N 2.91Å; L143-I147 HydrophobicContact CD1-CD1 4.34Å; L143-I147 HydrophobicContact CG-CD1 4.05Å; L143-I147 VanDerWaalsContact O-CG1 3.29Å; L143-I147 WeakPolarHBondContact O-CG1 3.31Å; L143-I147 PolarHBondContact O-N 3.34Å |
| 144 | S | 92.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -50.5 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | S142 R146 I147 L148 | S142-S144 VanDerWaalsContact C-N 3.26Å; S142-S144 PolarHBondContact O-N 3.16Å; S144-R146 VanDerWaalsContact C-N 3.33Å; S144-R146 PolarHBondContact O-N 3.21Å; S144-I147 PolarHBondContact O-N 3.17Å; S144-L148 PolarHBondContact O-N 3.33Å |
| 145 | A | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y131 E133 L141 S142 L148 Y149 L157 | Y131-A145 HydrophobicContact CD1-CB 4.06Å; Y131-A145 HydrophobicContact CE1-CB 3.41Å; Y131-A145 VanDerWaalsContact CE1-CB 3.41Å; E133-A145 WeakPolarHBondContact OE2-CB 3.42Å; L141-A145 HydrophobicContact CB-CB 4.01Å; L141-A145 HydrophobicContact CD1-CB 4.49Å; L141-A145 HydrophobicContact CD2-CB 3.95Å; L141-A145 HydrophobicContact CG-CB 4.36Å; S142-A145 PolarHBondContact O-N 2.99Å; S142-A145 WeakPolarHBondContact OG-CB 3.42Å; S142-A145 PolarHBondContact OG-N 2.93Å; S142-A145 VanDerWaalsContact OG-N 3.13Å; A145-L148 PolarHBondContact O-N 3.09Å; A145-Y149 WeakPolarHBondContact O-CB 3.42Å; A145-Y149 PolarHBondContact O-N 3.45Å; A145-L157 HydrophobicContact CB-CD1 4.17Å; A145-L157 WeakPolarHBondContact O-CD1 3.36Å |
| 146 | R | 94.3 | Very high | 93.2 | Very high | 108 Ų | 108 | 62.2 Ų | 62.2 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.7 | -75.4 | -171.7 | -71.1 | 148.5 | -1.1 | 111.8 | L141 S142 L143 S144 Y149 H150 | L141-R146 HydrophobicContact CB-CG 3.62Å; L141-R146 HydrophobicContact CD1-CG 4.38Å; S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 WeakPolarHBondContact O-CG 3.41Å; S142-R146 PolarHBondContact O-N 2.95Å; L143-R146 PolarHBondContact O-N 2.91Å; S144-R146 VanDerWaalsContact C-N 3.33Å; S144-R146 PolarHBondContact O-N 3.21Å; R146-Y149 PolarHBondContact O-N 3.15Å; R146-H150 WeakPolarHBondContact O-CB 3.47Å; R146-H150 PolarHBondContact O-CD2 2.9Å; R146-H150 PolarHBondContact O-N 3.33Å |
| 147 | I | 93.6 | Very high | 93.5 | Very high | 71 Ų | 71 | 57.3 Ų | 57.3 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.7 | -51 | 176.6 | -69 | 164.4 | 0 | 0 | 0 | 109.7 | I110 L143 S144 Y149 H150 S151 | I110-I147 HydrophobicContact CD1-CB 4.23Å; I110-I147 HydrophobicContact CD1-CG2 4.15Å; I110-I147 HydrophobicContact CG2-CG2 4.29Å; L143-I147 HydrophobicContact CD1-CD1 4.34Å; L143-I147 HydrophobicContact CG-CD1 4.05Å; L143-I147 VanDerWaalsContact O-CG1 3.29Å; L143-I147 WeakPolarHBondContact O-CG1 3.31Å; L143-I147 PolarHBondContact O-N 3.34Å; S144-I147 PolarHBondContact O-N 3.17Å; I147-Y149 PolarHBondContact O-N 3.49Å; I147-H150 PolarHBondContact O-N 3.49Å; I147-S151 VanDerWaalsContact O-CB 3.22Å; I147-S151 WeakPolarHBondContact O-CB 3.46Å; I147-S151 PolarHBondContact O-N 2.82Å; I147-S151 PolarHBondContact O-OG 3.01Å |
| 148 | L | 95.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 179.9 | -65.8 | 174.3 | 0 | 0 | 0 | 112.7 | I110 C113 Y131 S144 A145 S151 R152 I153 A154 | I110-L148 HydrophobicContact CD1-CD1 4.01Å; I110-L148 HydrophobicContact CD1-CD2 3.93Å; I110-L148 HydrophobicContact CD1-CG 3.65Å; C113-L148 HydrophobicContact CB-CD2 3.79Å; Y131-L148 HydrophobicContact CD2-CD1 3.22Å; Y131-L148 HydrophobicContact CE2-CD1 3.85Å; Y131-L148 HydrophobicContact CG-CD1 3.76Å; S144-L148 PolarHBondContact O-N 3.33Å; A145-L148 PolarHBondContact O-N 3.09Å; L148-S151 WeakPolarHBondContact CA-OG 3.49Å; L148-S151 PolarHBondContact O-OG 2.89Å; L148-R152 PolarHBondContact O-N 3.34Å; L148-I153 HydrophobicContact CD2-CB 4Å; L148-I153 HydrophobicContact CD2-CG2 3.83Å; L148-A154 HydrophobicContact CB-CB 4.04Å |
| 149 | Y | 95 | Very high | 94 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 8% | 0.078 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.6 | -177.4 | -94.7 | 0 | 0 | 0 | 112.5 | L141 A145 R146 I147 L157 Y168 R170 T171 | L141-Y149 HydrophobicContact CD1-CD2 4.41Å; L141-Y149 HydrophobicContact CD1-CG 4.3Å; A145-Y149 WeakPolarHBondContact O-CB 3.42Å; A145-Y149 PolarHBondContact O-N 3.45Å; R146-Y149 PolarHBondContact O-N 3.15Å; I147-Y149 PolarHBondContact O-N 3.49Å; Y149-L157 HydrophobicContact CD2-CD1 4.12Å; Y149-L157 HydrophobicContact CG-CD1 4.47Å; Y149-Y168 HydrophobicContact CD1-CD1 4.18Å; Y149-Y168 AromaticContact CE1-CD1 3.86Å; Y149-Y168 HydrophobicContact CE1-CD1 3.86Å; Y149-Y168 HydrophobicContact CE2-CD1 4.35Å; Y149-Y168 AromaticContact CZ-CD1 3.98Å; Y149-R170 HydrophobicContact CE2-CB 3.65Å; Y149-R170 HydrophobicContact CE2-CG 4.45Å; Y149-R170 VanDerWaalsContact O-CZ 3.29Å; Y149-R170 PolarHBondContact O-NH1 3.27Å; Y149-R170 VanDerWaalsContact O-NH1 3.08Å; Y149-R170 PolarHBondContact O-NH2 2.94Å; Y149-R170 PolarHBondContact OH-NE 2.84Å; Y149-T171 HydrophobicContact CD2-CG2 3.97Å; Y149-T171 HydrophobicContact CE2-CG2 3.9Å |
| 150 | H | 94.7 | Very high | 94.2 | Very high | 126 Ų | 126 | 47.6 Ų | 47.6 | 58% | 0.583 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -80.1 | -36.9 | -178.3 | -71.3 | -64.1 | 0 | 0 | 0 | 112.7 | R146 I147 R152 | R146-H150 WeakPolarHBondContact O-CB 3.47Å; R146-H150 PolarHBondContact O-CD2 2.9Å; R146-H150 PolarHBondContact O-N 3.33Å; I147-H150 PolarHBondContact O-N 3.49Å; H150-R152 VanDerWaalsContact C-N 3.3Å; H150-R152 PolarHBondContact O-N 3.47Å |
| 151 | S | 94.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 39% | 0.385 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -73.2 | -17.8 | 176.7 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | I147 L148 I153 | I147-S151 VanDerWaalsContact O-CB 3.22Å; I147-S151 WeakPolarHBondContact O-CB 3.46Å; I147-S151 PolarHBondContact O-N 2.82Å; I147-S151 PolarHBondContact O-OG 3.01Å; L148-S151 WeakPolarHBondContact CA-OG 3.49Å; L148-S151 PolarHBondContact O-OG 2.89Å; S151-I153 PolarHBondContact O-N 3.09Å |
| 152 | R | 93.4 | Very high | 94.3 | Very high | 189 Ų | 189 | 49.3 Ų | 49.3 | 71% | 0.713 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 25.3 | -174.8 | -56.1 | -171.9 | 178.2 | 178.3 | 0.9 | 114.1 | L148 H150 | L148-R152 PolarHBondContact O-N 3.34Å; H150-R152 VanDerWaalsContact C-N 3.3Å; H150-R152 PolarHBondContact O-N 3.47Å |
| 153 | I | 93.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | trans | -72.9 | -38.1 | 174.9 | -74.9 | 166.2 | 0 | 0 | 0 | 111.4 | C113 M114 F117 I129 L148 S151 | C113-I153 HydrophobicContact CB-CG2 3.79Å; M114-I153 HydrophobicContact CG-CD1 3.85Å; F117-I153 HydrophobicContact CB-CG1 4.29Å; F117-I153 HydrophobicContact CB-CG2 3.95Å; F117-I153 HydrophobicContact CD1-CG1 4.21Å; F117-I153 HydrophobicContact CD2-CG1 4.29Å; F117-I153 HydrophobicContact CG-CG1 4Å; F117-I153 HydrophobicContact CG-CG2 4.45Å; I129-I153 HydrophobicContact CD1-CG2 3.92Å; L148-I153 HydrophobicContact CD2-CB 4Å; L148-I153 HydrophobicContact CD2-CG2 3.83Å; S151-I153 PolarHBondContact O-N 3.09Å | ||
| 154 | A | 94.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 49 Ų | 49 | 12% | 0.124 | 23% | 0.232 | C | C | . | . | trans | -82.8 | 125.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | I129 L148 H156 | I129-A154 HydrophobicContact CG2-CB 4.13Å; L148-A154 HydrophobicContact CB-CB 4.04Å; A154-H156 VanDerWaalsContact C-N 3.31Å | ||
| 155 | D | 94.7 | Very high | 94.5 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -61.8 | -43 | 174.1 | -61.1 | -77 | 0 | 0 | 0 | 110.8 | H128 I129 | H128-D155 WeakPolarHBondContact CA-OD2 3.46Å; H128-D155 IonicContact ND1-OD2 3.76Å; I129-D155 PolarHBondContact N-OD2 3.1Å; I129-D155 PolarHBondContact O-N 3.47Å |
| 156 | H | 95.5 | Very high | 94.5 | Very high | 92 Ų | 92 | 60.9 Ų | 60.9 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.6 | 179.1 | -63.2 | -61.9 | 0 | 0 | 0 | 111.8 | I129 I130 Y131 A154 F158 | I129-H156 PolarHBondContact O-N 2.78Å; I130-H156 HydrophobicContact CG1-CB 4.42Å; Y131-H156 PolarHBondContact N-O 3.42Å; A154-H156 VanDerWaalsContact C-N 3.31Å; H156-F158 HydrophobicContact CB-CE2 4.02Å; H156-F158 HydrophobicContact CB-CZ 4.22Å |
| 157 | L | 96.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 110.5 | 172.9 | -160.3 | 168.8 | 0 | 0 | 0 | 108.8 | Y131 E133 L141 A145 Y149 V159 T171 V172 | Y131-L157 HydrophobicContact CD1-CD1 4.5Å; Y131-L157 HydrophobicContact CD1-CD2 4.15Å; Y131-L157 HydrophobicContact CD1-CG 3.92Å; Y131-L157 CarbonylContact O-C 3.53Å; Y131-L157 VanDerWaalsContact O-CA 3.32Å; Y131-L157 WeakPolarHBondContact O-CA 3.35Å; E133-L157 HydrophobicContact CB-CD2 4.4Å; L141-L157 HydrophobicContact CD1-CD1 4.45Å; L141-L157 HydrophobicContact CD2-CD2 4.04Å; A145-L157 HydrophobicContact CB-CD1 4.17Å; A145-L157 WeakPolarHBondContact O-CD1 3.36Å; Y149-L157 HydrophobicContact CD2-CD1 4.12Å; Y149-L157 HydrophobicContact CG-CD1 4.47Å; L157-V159 HydrophobicContact CD2-CG1 3.79Å; L157-T171 HydrophobicContact CB-CG2 4.19Å; L157-T171 HydrophobicContact CD1-CG2 4.37Å; L157-T171 HydrophobicContact CD2-CG2 3.78Å; L157-T171 HydrophobicContact CG-CG2 4.31Å; L157-T171 CarbonylContact O-C 3.56Å; L157-T171 WeakPolarHBondContact O-CA 3.16Å; L157-T171 VanDerWaalsContact O-CB 3.3Å; L157-T171 WeakPolarHBondContact O-CB 3.21Å; L157-V172 PolarHBondContact O-N 3.34Å |
| 158 | F | 96 | Very high | 94.5 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 138.6 | -179.3 | -68.7 | -67.9 | 0 | 0 | 0 | 112.3 | I130 Y131 V132 E133 H156 V172 I174 | I130-F158 HydrophobicContact CD1-CE2 4.25Å; I130-F158 HydrophobicContact CG2-CD2 3.36Å; I130-F158 HydrophobicContact CG2-CE2 3.33Å; Y131-F158 PolarHBondContact O-N 2.88Å; V132-F158 HydrophobicContact CG1-CB 4.48Å; V132-F158 HydrophobicContact CG2-CB 4.34Å; V132-F158 HydrophobicContact CG2-CD2 4.22Å; E133-F158 WeakPolarHBondContact CB-O 3.28Å; E133-F158 PolarHBondContact N-O 2.72Å; H156-F158 HydrophobicContact CB-CE2 4.02Å; H156-F158 HydrophobicContact CB-CZ 4.22Å; F158-V172 CarbonylContact C-O 3.6Å; F158-V172 VanDerWaalsContact CA-O 3.31Å; F158-V172 WeakPolarHBondContact CA-O 3.38Å; F158-V172 HydrophobicContact CD1-CB 3.55Å; F158-V172 HydrophobicContact CD1-CG1 3.8Å; F158-V172 HydrophobicContact CE1-CB 3.6Å; F158-V172 HydrophobicContact CE1-CG1 3.55Å; F158-V172 HydrophobicContact CE1-CG2 4.3Å; F158-I174 HydrophobicContact CB-CD1 3.85Å; F158-I174 HydrophobicContact CB-CG1 4.14Å; F158-I174 HydrophobicContact CB-CG2 4.32Å; F158-I174 HydrophobicContact CD1-CB 4.47Å; F158-I174 HydrophobicContact CD1-CG2 3.22Å; F158-I174 HydrophobicContact CE1-CG2 3.67Å; F158-I174 HydrophobicContact CG-CD1 4.4Å; F158-I174 HydrophobicContact CG-CG2 3.99Å |
| 159 | V | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.4 | 179.3 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | E133 L141 L157 L164 Q165 T171 V172 Y173 I174 | E133-V159 HydrophobicContact CB-CG1 4.26Å; L141-V159 HydrophobicContact CD2-CG1 4.07Å; L157-V159 HydrophobicContact CD2-CG1 3.79Å; V159-L164 HydrophobicContact CB-CB 4.48Å; V159-L164 HydrophobicContact CB-CD2 4.01Å; V159-L164 HydrophobicContact CB-CG 4.49Å; V159-L164 HydrophobicContact CG1-CD2 3.7Å; V159-L164 HydrophobicContact CG1-CG 4.16Å; V159-Q165 HydrophobicContact CG2-CB 3.9Å; V159-Q165 HydrophobicContact CG2-CG 4.46Å; V159-T171 HydrophobicContact CG1-CG2 3.98Å; V159-T171 WeakPolarHBondContact CG2-OG1 3.37Å; V159-V172 PolarHBondContact N-O 3.01Å; V159-Y173 WeakPolarHBondContact O-CA 3.4Å; V159-I174 PolarHBondContact O-N 3.45Å |
| 160 | Q | 94 | Very high | 94.4 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -97.9 | -3.7 | -177 | -60.6 | 78.8 | 10.5 | 0 | 0 | 113.4 | E133 I135 Y173 G175 | E133-Q160 VanDerWaalsContact O-CD 3.24Å; E133-Q160 PolarHBondContact O-NE2 3.28Å; E133-Q160 PolarHBondContact O-OE1 3.3Å; I135-Q160 HydrophobicContact CG1-CG 4.16Å; Q160-Y173 WeakPolarHBondContact O-CE2 3.46Å; Q160-G175 WeakPolarHBondContact CA-O 3.44Å; Q160-G175 VanDerWaalsContact CB-O 3.32Å; Q160-G175 WeakPolarHBondContact CB-O 3.33Å; Q160-G175 WeakPolarHBondContact CG-O 3.5Å |
| 161 | W | 94.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 17% | 0.167 | 29% | 0.29 | C | S | . | . | trans | -122.9 | 123 | -174 | -60.1 | 97.2 | 0 | 0 | 0 | 110.7 | I135 V138 Q163 L164 Q165 | I135-W161 PolarHBondContact O-NE1 3.43Å; V138-W161 HydrophobicContact CB-CD2 4.28Å; V138-W161 HydrophobicContact CB-CG 4.44Å; V138-W161 HydrophobicContact CG1-CD2 3.83Å; V138-W161 HydrophobicContact CG1-CE3 3.88Å; V138-W161 HydrophobicContact CG1-CG 4.21Å; V138-W161 HydrophobicContact CG1-CH2 4.46Å; V138-W161 HydrophobicContact CG1-CZ2 4.49Å; V138-W161 HydrophobicContact CG1-CZ3 4.18Å; V138-W161 HydrophobicContact CG2-CD2 4.23Å; V138-W161 HydrophobicContact CG2-CH2 4.19Å; V138-W161 HydrophobicContact CG2-CZ2 3.68Å; W161-Q163 PolarHBondContact O-N 3.03Å; W161-L164 HydrophobicContact CB-CB 4.13Å; W161-L164 WeakPolarHBondContact O-CB 3.47Å; W161-L164 PolarHBondContact O-N 3.41Å; W161-Q165 PolarHBondContact O-N 2.84Å; W161-Q165 VanDerWaalsContact O-N 3.17Å | ||
| 162 | P | 93.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 66 Ų | 66 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -29.2 | -178.4 | 26 | -34 | 0 | 0 | 0 | 112 | L164 Q165 R166 Y173 | P162-L164 VanDerWaalsContact C-N 3.26Å; P162-L164 PolarHBondContact O-N 3.22Å; P162-Q165 PolarHBondContact O-N 3.36Å; P162-R166 WeakPolarHBondContact O-CG 3.48Å; P162-R166 PolarHBondContact O-N 3.44Å; P162-Y173 HydrophobicContact CB-CD2 4.5Å; P162-Y173 HydrophobicContact CB-CE2 4.36Å; P162-Y173 HydrophobicContact CG-CE2 4.45Å |
| 163 | Q | 93.8 | Very high | 94.6 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 173 | -58.9 | 78.1 | 3.8 | 0 | 0 | 111.4 | W161 R166 K167 | W161-Q163 PolarHBondContact O-N 3.03Å; Q163-R166 PolarHBondContact O-N 2.87Å; Q163-K167 PolarHBondContact O-N 3.19Å; Q163-K167 VanDerWaalsContact O-N 3.15Å |
| 164 | L | 93.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.8 | -41.1 | 179.6 | -162.3 | 64.8 | 0 | 0 | 0 | 110.9 | E133 R137 L141 V159 W161 P162 R166 K167 Y168 | E133-L164 HydrophobicContact CG-CD2 4.33Å; R137-L164 WeakPolarHBondContact O-CD2 3.44Å; L141-L164 HydrophobicContact CD2-CD1 4.43Å; L141-L164 HydrophobicContact CD2-CD2 3.77Å; L141-L164 HydrophobicContact CD2-CG 4.13Å; L141-L164 HydrophobicContact CG-CD1 4.3Å; L141-L164 HydrophobicContact CG-CD2 4.49Å; L141-L164 HydrophobicContact CG-CG 4.46Å; V159-L164 HydrophobicContact CB-CB 4.48Å; V159-L164 HydrophobicContact CB-CD2 4.01Å; V159-L164 HydrophobicContact CB-CG 4.49Å; V159-L164 HydrophobicContact CG1-CD2 3.7Å; V159-L164 HydrophobicContact CG1-CG 4.16Å; W161-L164 HydrophobicContact CB-CB 4.13Å; W161-L164 WeakPolarHBondContact O-CB 3.47Å; W161-L164 PolarHBondContact O-N 3.41Å; P162-L164 VanDerWaalsContact C-N 3.26Å; P162-L164 PolarHBondContact O-N 3.22Å; L164-R166 PolarHBondContact O-N 3.39Å; L164-K167 PolarHBondContact O-N 2.93Å; L164-Y168 HydrophobicContact CD1-CD2 3.77Å; L164-Y168 HydrophobicContact CD1-CE2 3.72Å; L164-Y168 HydrophobicContact CG-CD2 4.12Å; L164-Y168 WeakPolarHBondContact O-CD2 3.5Å; L164-Y168 PolarHBondContact O-N 3.19Å |
| 165 | Q | 94.5 | Very high | 94.2 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 173.9 | -165.8 | -159.7 | 10.5 | 0 | 0 | 112 | V159 W161 P162 K167 Y168 W169 T171 Y173 | V159-Q165 HydrophobicContact CG2-CB 3.9Å; V159-Q165 HydrophobicContact CG2-CG 4.46Å; W161-Q165 PolarHBondContact O-N 2.84Å; W161-Q165 VanDerWaalsContact O-N 3.17Å; P162-Q165 PolarHBondContact O-N 3.36Å; Q165-K167 VanDerWaalsContact C-N 3.26Å; Q165-K167 PolarHBondContact O-N 3.1Å; Q165-Y168 CarbonylContact O-C 3.02Å; Q165-Y168 PolarHBondContact O-N 3.14Å; Q165-Y168 VanDerWaalsContact O-N 3.16Å; Q165-Y168 VanDerWaalsContact O-O 3.13Å; Q165-W169 WeakPolarHBondContact O-CA 3.14Å; Q165-W169 PolarHBondContact O-N 3Å; Q165-T171 WeakPolarHBondContact CA-OG1 3.37Å; Q165-T171 WeakPolarHBondContact CG-O 3.32Å; Q165-Y173 VanDerWaalsContact CD-CB 3.5Å |
| 166 | R | 93.8 | Very high | 93.3 | Very high | 192 Ų | 192 | 68.7 Ų | 68.7 | 73% | 0.725 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.6 | -37.7 | 175.7 | -73.9 | -173 | -65.6 | -155.5 | 4.2 | 112.5 | P162 Q163 L164 | P162-R166 WeakPolarHBondContact O-CG 3.48Å; P162-R166 PolarHBondContact O-N 3.44Å; Q163-R166 PolarHBondContact O-N 2.87Å; L164-R166 PolarHBondContact O-N 3.39Å |
| 167 | K | 94.3 | Very high | 92 | Very high | 123 Ų | 123 | 67.6 Ų | 67.6 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.7 | -33.9 | 176.4 | -172.7 | 169.7 | -179.1 | 169.8 | 0 | 112.7 | Q163 L164 Q165 | Q163-K167 PolarHBondContact O-N 3.19Å; Q163-K167 VanDerWaalsContact O-N 3.15Å; L164-K167 PolarHBondContact O-N 2.93Å; Q165-K167 VanDerWaalsContact C-N 3.26Å; Q165-K167 PolarHBondContact O-N 3.1Å |
| 168 | Y | 94.4 | Very high | 91.8 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -123.9 | 77.7 | -177.6 | -60.6 | -81.1 | 0 | 0 | 0 | 110 | L141 Y149 L164 Q165 R170 T171 | L141-Y168 HydrophobicContact CB-CE2 4.19Å; L141-Y168 HydrophobicContact CD1-CD1 3.56Å; L141-Y168 HydrophobicContact CD1-CD2 3.73Å; L141-Y168 HydrophobicContact CD1-CE1 3.72Å; L141-Y168 HydrophobicContact CD1-CE2 3.89Å; L141-Y168 HydrophobicContact CD1-CG 3.56Å; L141-Y168 HydrophobicContact CG-CD1 4.37Å; L141-Y168 HydrophobicContact CG-CD2 3.66Å; L141-Y168 HydrophobicContact CG-CE1 4.32Å; L141-Y168 HydrophobicContact CG-CE2 3.61Å; L141-Y168 HydrophobicContact CG-CG 4.05Å; Y149-Y168 HydrophobicContact CD1-CD1 4.18Å; Y149-Y168 AromaticContact CE1-CD1 3.86Å; Y149-Y168 HydrophobicContact CE1-CD1 3.86Å; Y149-Y168 HydrophobicContact CE2-CD1 4.35Å; Y149-Y168 AromaticContact CZ-CD1 3.98Å; L164-Y168 HydrophobicContact CD1-CD2 3.77Å; L164-Y168 HydrophobicContact CD1-CE2 3.72Å; L164-Y168 HydrophobicContact CG-CD2 4.12Å; L164-Y168 WeakPolarHBondContact O-CD2 3.5Å; L164-Y168 PolarHBondContact O-N 3.19Å; Q165-Y168 CarbonylContact O-C 3.02Å; Q165-Y168 PolarHBondContact O-N 3.14Å; Q165-Y168 VanDerWaalsContact O-N 3.16Å; Q165-Y168 VanDerWaalsContact O-O 3.13Å; Y168-R170 PolarHBondContact O-N 3.01Å; Y168-T171 WeakPolarHBondContact O-CB 3.33Å; Y168-T171 WeakPolarHBondContact O-CG2 3.48Å; Y168-T171 PolarHBondContact O-N 2.73Å; Y168-T171 PolarHBondContact O-OG1 3.4Å |
| 169 | W | 94 | Very high | 91.6 | Very high | 199 Ų | 199 | 72.1 Ų | 72.1 | 75% | 0.754 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.5 | -168.3 | 64.1 | -93 | 0 | 0 | 0 | 115.8 | Q165 T171 | Q165-W169 WeakPolarHBondContact O-CA 3.14Å; Q165-W169 PolarHBondContact O-N 3Å; W169-T171 PolarHBondContact O-N 3.19Å |
| 170 | R | 94.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 76.1 Ų | 76.1 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -5.2 | 174.5 | -60 | -179.4 | -74.4 | 149.4 | 0.6 | 114.1 | Y149 Y168 | Y149-R170 HydrophobicContact CE2-CB 3.65Å; Y149-R170 HydrophobicContact CE2-CG 4.45Å; Y149-R170 VanDerWaalsContact O-CZ 3.29Å; Y149-R170 PolarHBondContact O-NH1 3.27Å; Y149-R170 VanDerWaalsContact O-NH1 3.08Å; Y149-R170 PolarHBondContact O-NH2 2.94Å; Y149-R170 PolarHBondContact OH-NE 2.84Å; Y168-R170 PolarHBondContact O-N 3.01Å |
| 171 | T | 95.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 80.5 Ų | 80.5 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -83.9 | 153.5 | 175 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | Y149 L157 V159 Q165 Y168 W169 | Y149-T171 HydrophobicContact CD2-CG2 3.97Å; Y149-T171 HydrophobicContact CE2-CG2 3.9Å; L157-T171 HydrophobicContact CB-CG2 4.19Å; L157-T171 HydrophobicContact CD1-CG2 4.37Å; L157-T171 HydrophobicContact CD2-CG2 3.78Å; L157-T171 HydrophobicContact CG-CG2 4.31Å; L157-T171 CarbonylContact O-C 3.56Å; L157-T171 WeakPolarHBondContact O-CA 3.16Å; L157-T171 VanDerWaalsContact O-CB 3.3Å; L157-T171 WeakPolarHBondContact O-CB 3.21Å; V159-T171 HydrophobicContact CG1-CG2 3.98Å; V159-T171 WeakPolarHBondContact CG2-OG1 3.37Å; Q165-T171 WeakPolarHBondContact CA-OG1 3.37Å; Q165-T171 WeakPolarHBondContact CG-O 3.32Å; Y168-T171 WeakPolarHBondContact O-CB 3.33Å; Y168-T171 WeakPolarHBondContact O-CG2 3.48Å; Y168-T171 PolarHBondContact O-N 2.73Å; Y168-T171 PolarHBondContact O-OG1 3.4Å; W169-T171 PolarHBondContact O-N 3.19Å |
| 172 | V | 95.4 | Very high | 91 | Very high | 59 Ų | 59 | 82.8 Ų | 82.8 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.4 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | L157 F158 V159 | L157-V172 PolarHBondContact O-N 3.34Å; F158-V172 CarbonylContact C-O 3.6Å; F158-V172 VanDerWaalsContact CA-O 3.31Å; F158-V172 WeakPolarHBondContact CA-O 3.38Å; F158-V172 HydrophobicContact CD1-CB 3.55Å; F158-V172 HydrophobicContact CD1-CG1 3.8Å; F158-V172 HydrophobicContact CE1-CB 3.6Å; F158-V172 HydrophobicContact CE1-CG1 3.55Å; F158-V172 HydrophobicContact CE1-CG2 4.3Å; V159-V172 PolarHBondContact N-O 3.01Å |
| 173 | Y | 94.6 | Very high | 90.8 | Very high | 106 Ų | 106 | 85.1 Ų | 85.1 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.1 | 175.8 | 171.8 | -105 | 0 | 0 | 0 | 110.7 | V159 Q160 P162 Q165 | V159-Y173 WeakPolarHBondContact O-CA 3.4Å; Q160-Y173 WeakPolarHBondContact O-CE2 3.46Å; P162-Y173 HydrophobicContact CB-CD2 4.5Å; P162-Y173 HydrophobicContact CB-CE2 4.36Å; P162-Y173 HydrophobicContact CG-CE2 4.45Å; Q165-Y173 VanDerWaalsContact CD-CB 3.5Å |
| 174 | I | 91.6 | Very high | 90.6 | Very high | 71 Ų | 71 | 84.6 Ų | 84.6 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | trans | -117.1 | -5 | 180 | 52.7 | 164.2 | 0 | 0 | 0 | 114 | V132 F158 V159 F177 | V132-I174 HydrophobicContact CG1-CD1 4.39Å; F158-I174 HydrophobicContact CB-CD1 3.85Å; F158-I174 HydrophobicContact CB-CG1 4.14Å; F158-I174 HydrophobicContact CB-CG2 4.32Å; F158-I174 HydrophobicContact CD1-CB 4.47Å; F158-I174 HydrophobicContact CD1-CG2 3.22Å; F158-I174 HydrophobicContact CE1-CG2 3.67Å; F158-I174 HydrophobicContact CG-CD1 4.4Å; F158-I174 HydrophobicContact CG-CG2 3.99Å; V159-I174 PolarHBondContact O-N 3.45Å; I174-F177 HydrophobicContact CD1-CD1 4.07Å; I174-F177 HydrophobicContact CD1-CE1 4.01Å | ||
| 175 | G | 88.1 | Confident | 90.4 | Very high | 10 Ų | 10 | 91.1 Ų | 91.1 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | trans | 70.8 | -163.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q160 | Q160-G175 WeakPolarHBondContact CA-O 3.44Å; Q160-G175 VanDerWaalsContact CB-O 3.32Å; Q160-G175 WeakPolarHBondContact CB-O 3.33Å; Q160-G175 WeakPolarHBondContact CG-O 3.5Å | ||
| 176 | R | 75.7 | Confident | 90.1 | Very high | 177 Ų | 177 | 92.9 Ų | 92.9 | 67% | 0.668 | 39% | 0.387 | S | S | * | . | trans | -98.1 | 135.2 | 180 | -59.8 | -179.1 | -172.8 | 165.9 | 5.8 | 109.2 | ||||
| 177 | F | 69.1 | Low | 89.8 | Confident | 70 Ų | 70 | 83.9 Ų | 83.9 | 31% | 0.307 | 36% | 0.357 | S | S | . | . | trans | -116.2 | 0 | 177.6 | 58.8 | -97.9 | 0 | 0 | 0 | 112.4 | E21 R24 L25 V132 I174 | E21-F177 WeakPolarHBondContact O-CE2 3.2Å; R24-F177 HydrophobicContact CG-CD2 4.21Å; R24-F177 VanDerWaalsContact CZ-C 3.44Å; R24-F177 VanDerWaalsContact NE-C 3.27Å; R24-F177 PolarHBondContact NE-O 3.41Å; R24-F177 PolarHBondContact NE-OXT 3.47Å; R24-F177 VanDerWaalsContact NH2-C 3.26Å; R24-F177 PolarHBondContact NH2-O 3.25Å; R24-F177 PolarHBondContact NH2-OXT 2.64Å; L25-F177 HydrophobicContact CB-CD2 4.45Å; L25-F177 HydrophobicContact CB-CE2 3.86Å; L25-F177 HydrophobicContact CB-CZ 4.09Å; L25-F177 HydrophobicContact CD1-CE1 4.04Å; L25-F177 HydrophobicContact CD1-CE2 4.44Å; L25-F177 HydrophobicContact CD1-CZ 3.88Å; V132-F177 HydrophobicContact CG1-CE1 4.23Å; V132-F177 HydrophobicContact CG1-CZ 4.43Å; I174-F177 HydrophobicContact CD1-CD1 4.07Å; I174-F177 HydrophobicContact CD1-CE1 4.01Å |
Retrieved 177 of 177 residues in 248.7 ms
(Link to these results)