| 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 | 45.5 | Very low | 87.7 | Confident | 233 Ų | 233 | 69.2 Ų | 69.2 | 100% | 1.148 | 35% | 0.349 | S | S | * | . | 0 | 117.5 | 0 | -75.9 | 179.7 | -90 | 0 | 0 | 106 | T3 | M1-T3 PolarHBondContact O-N 3.17Å; M1-T3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | I | 61.6 | Low | 88.6 | Confident | 176 Ų | 176 | 63.4 Ų | 63.4 | 90% | 0.903 | 32% | 0.32 | S | S | * | . | trans | -68.3 | 109.2 | 171.1 | -64.3 | 166.9 | 0 | 0 | 0 | 105.2 | ||||
| 3 | T | 75.4 | Confident | 89.4 | Confident | 106 Ų | 106 | 58.5 Ų | 58.5 | 65% | 0.65 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -67 | 132.7 | 174.4 | 41.8 | 0 | 0 | 0 | 0 | 108.4 | M1 K5 | M1-T3 PolarHBondContact O-N 3.17Å; M1-T3 VanDerWaalsContact O-N 3.12Å; T3-K5 PolarHBondContact O-N 2.91Å |
| 4 | M | 91.9 | Very high | 90.1 | Very high | 119 Ų | 119 | 56.4 Ų | 56.4 | 59% | 0.586 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 121.4 | 175.9 | 178.1 | 179.9 | -74.1 | 0 | 0 | 109.5 | Q38 | M4-Q38 HydrophobicContact CG-CB 4.14Å; M4-Q38 HydrophobicContact SD-CB 3.79Å |
| 5 | K | 97.3 | Very high | 90.7 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 22% | 0.222 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 136.9 | 179.1 | -63.2 | -75.4 | -174.5 | 176.4 | 0 | 109.8 | T3 I7 A37 Q38 D90 A219 E220 | T3-K5 PolarHBondContact O-N 2.91Å; K5-I7 HydrophobicContact CB-CD1 4.33Å; K5-A37 HydrophobicContact CB-CB 4.33Å; K5-A37 WeakPolarHBondContact O-CB 3.45Å; K5-Q38 PolarHBondContact O-N 2.64Å; K5-D90 VanDerWaalsContact CA-OD2 3.27Å; K5-D90 WeakPolarHBondContact CA-OD2 3.23Å; K5-D90 HydrophobicContact CB-CB 4.3Å; K5-D90 HydrophobicContact CD-CB 3.86Å; K5-A219 WeakPolarHBondContact CE-O 3.29Å; K5-A219 PolarHBondContact NZ-O 2.75Å; K5-E220 PolarHBondContact NZ-OXT 2.94Å |
| 6 | K | 98.6 | Very high | 91.2 | Very high | 75 Ų | 75 | 52 Ų | 52 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.9 | 177.8 | -72 | 176.3 | 173.4 | -176.7 | 0 | 110.2 | Q38 V40 E88 L89 D90 A91 | K6-Q38 CarbonylContact C-O 3.53Å; K6-Q38 WeakPolarHBondContact CA-O 3.4Å; K6-Q38 HydrophobicContact CG-CB 4.45Å; K6-V40 HydrophobicContact CB-CG2 4.08Å; K6-V40 HydrophobicContact CG-CG2 4.29Å; K6-E88 WeakPolarHBondContact CD-O 3.37Å; K6-L89 HydrophobicContact CB-CD2 4.4Å; K6-D90 PolarHBondContact N-OD2 3.32Å; K6-D90 PolarHBondContact O-N 3.46Å; K6-A91 PolarHBondContact O-N 3.03Å |
| 7 | I | 98.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 111.5 | -177 | -46.2 | -57.3 | 0 | 0 | 0 | 108.4 | K5 I32 A37 Q38 A39 V40 A91 I93 L216 | K5-I7 HydrophobicContact CB-CD1 4.33Å; I7-I32 HydrophobicContact CB-CD1 3.99Å; I7-I32 HydrophobicContact CB-CG1 4.35Å; I7-I32 HydrophobicContact CB-CG2 4.27Å; I7-I32 HydrophobicContact CG1-CG1 4.41Å; I7-I32 HydrophobicContact CG1-CG2 4.04Å; I7-I32 HydrophobicContact CG2-CD1 3.75Å; I7-I32 HydrophobicContact CG2-CG1 4.24Å; I7-A37 HydrophobicContact CG1-CB 4.08Å; I7-Q38 PolarHBondContact N-O 3.04Å; I7-A39 CarbonylContact O-C 3.54Å; I7-A39 WeakPolarHBondContact O-CA 3.19Å; I7-V40 PolarHBondContact O-N 3.44Å; I7-A91 HydrophobicContact CD1-CB 3.79Å; I7-A91 HydrophobicContact CG2-CB 4.36Å; I7-I93 HydrophobicContact CG2-CD1 3.87Å; I7-I93 HydrophobicContact CG2-CG1 3.94Å; I7-L216 HydrophobicContact CD1-CD2 3.65Å; I7-L216 HydrophobicContact CG1-CD2 4.08Å |
| 8 | G | 98.9 | Very high | 92 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 132.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V40 A91 L92 I93 | G8-V40 CarbonylContact C-O 3.52Å; G8-V40 VanDerWaalsContact CA-O 3.32Å; G8-V40 WeakPolarHBondContact CA-O 3.27Å; G8-A91 PolarHBondContact N-O 3.48Å; G8-L92 CarbonylContact O-C 3.58Å; G8-L92 WeakPolarHBondContact O-CA 3.07Å; G8-I93 PolarHBondContact O-N 3.16Å |
| 9 | V | 98.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 116.8 | 175 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | L11 T28 L29 I32 A39 V40 C41 F42 I93 P95 | V9-L11 HydrophobicContact CG1-CD2 3.99Å; V9-L11 HydrophobicContact CG1-CG 4.48Å; V9-T28 HydrophobicContact CG2-CG2 4.41Å; V9-L29 HydrophobicContact CG2-CD2 4.18Å; V9-I32 HydrophobicContact CG2-CD1 3.68Å; V9-A39 HydrophobicContact CG2-CB 4.32Å; V9-V40 PolarHBondContact N-O 3.02Å; V9-C41 CarbonylContact O-C 3.03Å; V9-C41 WeakPolarHBondContact O-CA 3.47Å; V9-F42 PolarHBondContact O-N 3.43Å; V9-I93 WeakPolarHBondContact CA-O 3.33Å; V9-P95 HydrophobicContact CG1-CG 4.12Å |
| 10 | I | 98.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119.9 | -177.4 | -48.3 | -52 | 0 | 0 | 0 | 110.2 | F42 L81 L92 I93 V94 P95 L104 L120 L123 | I10-F42 WeakPolarHBondContact CA-O 3.31Å; I10-F42 HydrophobicContact CD1-CB 3.84Å; I10-F42 HydrophobicContact CD1-CD2 3.97Å; I10-F42 HydrophobicContact CD1-CG 4.33Å; I10-L81 HydrophobicContact CD1-CD1 3.68Å; I10-L81 HydrophobicContact CG2-CD1 4.49Å; I10-L81 HydrophobicContact CG2-CD2 4.43Å; I10-L92 HydrophobicContact CD1-CD1 3.68Å; I10-L92 HydrophobicContact CG1-CD1 3.62Å; I10-L92 HydrophobicContact CG1-CD2 4.47Å; I10-L92 HydrophobicContact CG1-CG 4.23Å; I10-I93 PolarHBondContact N-O 2.79Å; I10-V94 HydrophobicContact CB-CG1 4.46Å; I10-V94 HydrophobicContact CB-CG2 4.1Å; I10-V94 HydrophobicContact CG1-CG2 4.15Å; I10-P95 WeakPolarHBondContact O-CD 3.42Å; I10-L104 HydrophobicContact CG2-CD1 4.14Å; I10-L104 HydrophobicContact CG2-CD2 4.13Å; I10-L120 HydrophobicContact CG1-CD1 4.07Å; I10-L120 HydrophobicContact CG2-CD1 4.27Å; I10-L123 HydrophobicContact CD1-CD2 3.96Å |
| 11 | L | 99 | Very high | 93 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -108 | 160.1 | 179.2 | -56.6 | -178.7 | 0 | 0 | 0 | 111.3 | V9 S20 A25 F42 A43 P44 A70 I73 T74 I78 P95 | V9-L11 HydrophobicContact CG1-CD2 3.99Å; V9-L11 HydrophobicContact CG1-CG 4.48Å; L11-S20 WeakPolarHBondContact CA-OG 3.44Å; L11-A25 HydrophobicContact CD2-CB 3.94Å; L11-F42 PolarHBondContact N-O 3.02Å; L11-A43 HydrophobicContact CB-CB 4.37Å; L11-A43 WeakPolarHBondContact O-CB 3.24Å; L11-P44 WeakPolarHBondContact O-CD 3.39Å; L11-A70 HydrophobicContact CB-CB 3.85Å; L11-A70 HydrophobicContact CD1-CB 4.23Å; L11-I73 HydrophobicContact CD1-CB 4.16Å; L11-I73 HydrophobicContact CD1-CD1 4.27Å; L11-I73 HydrophobicContact CD1-CG2 4.12Å; L11-T74 HydrophobicContact CD1-CG2 3.66Å; L11-I78 HydrophobicContact CD1-CD1 4.08Å; L11-P95 HydrophobicContact CD2-CG 4.15Å | ||
| 12 | S | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -130.1 | 10.9 | -170.7 | 68.5 | 0 | 0 | 0 | 0 | 114.5 | G19 S20 V66 G99 A100 N103 | S12-G19 WeakPolarHBondContact O-CA 3.49Å; S12-G19 PolarHBondContact OG-O 2.84Å; S12-S20 PolarHBondContact N-OG 3.44Å; S12-S20 WeakPolarHBondContact OG-CA 3.44Å; S12-S20 PolarHBondContact OG-N 2.93Å; S12-S20 PolarHBondContact OG-OG 2.93Å; S12-S20 VanDerWaalsContact OG-OG 3.12Å; S12-V66 VanDerWaalsContact C-CG1 3.5Å; S12-G99 VanDerWaalsContact CB-C 3.47Å; S12-G99 WeakPolarHBondContact CB-O 3.43Å; S12-G99 VanDerWaalsContact OG-CA 3.29Å; S12-G99 WeakPolarHBondContact OG-CA 3.27Å; S12-A100 PolarHBondContact OG-N 3.08Å; S12-N103 PolarHBondContact O-ND2 3.1Å | ||
| 13 | G | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | 135.8 | -158.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S20 | G13-S20 PolarHBondContact O-N 3.35Š| ||
| 14 | C | 98.9 | Very high | 98.4 | Very high | 29 Ų | 29 | 27.7 Ų | 27.7 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -141.2 | 86.2 | 179.4 | 178.7 | 0 | 0 | 0 | 0 | 112 | E69 R72 I73 | C14-E69 HydrophobicContact CB-CB 4.18Å; C14-E69 WeakPolarHBondContact CB-O 3.49Å; C14-R72 HydrophobicContact CB-CB 4.48Å; C14-I73 HydrophobicContact CB-CD1 4.23Å; C14-I73 HydrophobicContact CB-CG1 4.27Å |
| 15 | G | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 22 Ų | 22 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 149.3 | 139.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y17 G19 S20 H54 | G15-Y17 VanDerWaalsContact C-N 3.29Å; G15-Y17 PolarHBondContact O-N 3.46Å; G15-G19 CarbonylContact O-C 3.56Å; G15-G19 WeakPolarHBondContact O-CA 3.45Å; G15-G19 PolarHBondContact O-N 2.99Å; G15-G19 VanDerWaalsContact O-O 3.1Å; G15-S20 CarbonylContact C-O 3.27Å; G15-S20 PolarHBondContact N-O 2.83Å; G15-H54 WeakPolarHBondContact CA-NE2 3.23Å |
| 16 | V | 98.7 | Very high | 98.8 | Very high | 40 Ų | 40 | 23 Ų | 23 | 24% | 0.242 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.1 | -174 | 62.4 | 0 | 0 | 0 | 0 | 113.7 | E21 H54 F98 | V16-E21 HydrophobicContact CB-CG 4.07Å; V16-E21 HydrophobicContact CG2-CG 3.87Å; V16-H54 PolarHBondContact N-NE2 3.01Å; V16-F98 HydrophobicContact CG2-CD2 4.46Å; V16-F98 VanDerWaalsContact O-CB 3.28Å; V16-F98 WeakPolarHBondContact O-CB 3.43Å; V16-F98 WeakPolarHBondContact O-CD2 3.44Å; V16-F98 PolarHBondContact O-N 3.29Å |
| 17 | Y | 98.7 | Very high | 98.9 | Very high | 97 Ų | 97 | 20.1 Ų | 20.1 | 38% | 0.38 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -20.8 | -172.5 | -61.6 | -43.5 | 0 | 0 | 0 | 115 | G15 I52 H54 F98 K102 | G15-Y17 VanDerWaalsContact C-N 3.29Å; G15-Y17 PolarHBondContact O-N 3.46Å; Y17-I52 HydrophobicContact CD2-CG2 3.81Å; Y17-I52 HydrophobicContact CG-CG2 4.1Å; Y17-H54 HydrophobicContact CD2-CB 4.33Å; Y17-H54 AromaticContact CD2-CD2 3.68Å; Y17-H54 AromaticContact CD2-CG 3.78Å; Y17-H54 AromaticContact CD2-NE2 3.9Å; Y17-H54 PolarHBondContact N-NE2 3.46Å; Y17-H54 VanDerWaalsContact N-NE2 3.15Å; Y17-F98 WeakPolarHBondContact O-CB 3.48Å; Y17-K102 PolarHBondContact O-NZ 3.5Å |
| 18 | D | 98.7 | Very high | 98.9 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.016 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | 4.4 | -174.6 | 60.4 | 6.1 | 0 | 0 | 0 | 113.9 | Q48 V51 I52 H54 N103 | D18-Q48 VanDerWaalsContact O-CD 3.22Å; D18-Q48 PolarHBondContact O-NE2 2.75Å; D18-Q48 PolarHBondContact O-OE1 3.25Å; D18-V51 WeakPolarHBondContact OD2-CA 3.41Å; D18-I52 HydrophobicContact CB-CB 4.38Å; D18-I52 HydrophobicContact CB-CG1 4.13Å; D18-I52 PolarHBondContact OD2-N 3.18Å; D18-H54 IonicContact OD1-CE1 2.74Å; D18-H54 PolarHBondContact OD1-CE1 3.43Å; D18-N103 PolarHBondContact O-ND2 3.29Å |
| 19 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -159.4 | -151.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S12 G15 G97 G99 | S12-G19 WeakPolarHBondContact O-CA 3.49Å; S12-G19 PolarHBondContact OG-O 2.84Å; G15-G19 CarbonylContact O-C 3.56Å; G15-G19 WeakPolarHBondContact O-CA 3.45Å; G15-G19 PolarHBondContact O-N 2.99Å; G15-G19 VanDerWaalsContact O-O 3.1Å; G19-G97 CarbonylContact O-C 2.85Å; G19-G99 VanDerWaalsContact O-CA 3.31Å; G19-G99 WeakPolarHBondContact O-CA 3.24Å; G19-G99 PolarHBondContact O-N 2.77Å |
| 20 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -74.7 | 140.9 | 175.7 | -75.2 | 0 | 0 | 0 | 0 | 111 | L11 S12 G13 G15 I22 G96 | L11-S20 WeakPolarHBondContact CA-OG 3.44Å; S12-S20 PolarHBondContact N-OG 3.44Å; S12-S20 WeakPolarHBondContact OG-CA 3.44Å; S12-S20 PolarHBondContact OG-N 2.93Å; S12-S20 PolarHBondContact OG-OG 2.93Å; S12-S20 VanDerWaalsContact OG-OG 3.12Å; G13-S20 PolarHBondContact O-N 3.35Å; G15-S20 CarbonylContact C-O 3.27Å; G15-S20 PolarHBondContact N-O 2.83Å; S20-I22 PolarHBondContact O-N 3.12Å; S20-G96 WeakPolarHBondContact CA-O 3.34Å | ||
| 21 | E | 98.9 | Very high | 98.9 | Very high | 17 Ų | 17 | 25.2 Ų | 25.2 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | trans | -62.8 | 121.9 | 170.3 | -153.4 | -59.3 | 121.2 | 0 | 0 | 108.6 | V16 H23 E24 A25 G96 Y195 | V16-E21 HydrophobicContact CB-CG 4.07Å; V16-E21 HydrophobicContact CG2-CG 3.87Å; E21-H23 VanDerWaalsContact OE2-CA 3.25Å; E21-H23 WeakPolarHBondContact OE2-CA 3.49Å; E21-H23 VanDerWaalsContact OE2-CB 3.24Å; E21-H23 WeakPolarHBondContact OE2-CB 3.36Å; E21-H23 PolarHBondContact OE2-N 3.2Å; E21-E24 HydrophobicContact CB-CB 4.1Å; E21-E24 HydrophobicContact CB-CG 3.97Å; E21-E24 HydrophobicContact CG-CG 4.13Å; E21-E24 WeakPolarHBondContact OE2-CG 3.41Å; E21-E24 PolarHBondContact OE2-N 3.16Å; E21-A25 WeakPolarHBondContact O-CB 3.31Å; E21-A25 PolarHBondContact O-N 2.98Å; E21-G96 PolarHBondContact N-O 3.17Å; E21-Y195 HydrophobicContact CG-CD2 3.86Å; E21-Y195 HydrophobicContact CG-CE2 4.37Å; E21-Y195 WeakPolarHBondContact OE2-CE2 3.25Å | ||
| 22 | I | 98.9 | Very high | 98.8 | Very high | 67 Ų | 67 | 25.2 Ų | 25.2 | 34% | 0.344 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -69.7 | -41.4 | -166.1 | -66.8 | 170.9 | 0 | 0 | 0 | 110.5 | S20 V26 | S20-I22 PolarHBondContact O-N 3.12Å; I22-V26 HydrophobicContact CG2-CG2 4.43Å; I22-V26 WeakPolarHBondContact O-CB 3.1Å; I22-V26 VanDerWaalsContact O-CG2 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.42Å; I22-V26 PolarHBondContact O-N 2.89Å |
| 23 | H | 98.9 | Very high | 98.8 | Very high | 81 Ų | 81 | 29.2 Ų | 29.2 | 38% | 0.375 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.8 | -44.3 | 179.3 | -60.6 | 158 | 0 | 0 | 0 | 111.1 | E21 A25 V26 L27 Y195 I201 | E21-H23 VanDerWaalsContact OE2-CA 3.25Å; E21-H23 WeakPolarHBondContact OE2-CA 3.49Å; E21-H23 VanDerWaalsContact OE2-CB 3.24Å; E21-H23 WeakPolarHBondContact OE2-CB 3.36Å; E21-H23 PolarHBondContact OE2-N 3.2Å; H23-A25 VanDerWaalsContact C-N 3.34Å; H23-A25 PolarHBondContact O-N 3.28Å; H23-V26 PolarHBondContact O-N 3.27Å; H23-L27 HydrophobicContact CB-CD1 4.48Å; H23-L27 VanDerWaalsContact O-CB 3.23Å; H23-L27 WeakPolarHBondContact O-CB 3.5Å; H23-L27 WeakPolarHBondContact O-CD1 3.41Å; H23-L27 WeakPolarHBondContact O-CG 3.25Å; H23-L27 PolarHBondContact O-N 3.24Å; H23-Y195 HydrophobicContact CB-CE2 3.83Å; H23-Y195 AromaticContact ND1-CZ 3.71Å; H23-Y195 PolarHBondContact ND1-OH 3.43Å; H23-I201 HydrophobicContact CB-CD1 4.05Å; H23-I201 HydrophobicContact CB-CG1 4.21Å |
| 24 | E | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 177.5 | -66.4 | -179.3 | -168.9 | 0 | 0 | 111.2 | E21 T28 P95 G96 M137 C138 A194 Y195 I208 | E21-E24 HydrophobicContact CB-CB 4.1Å; E21-E24 HydrophobicContact CB-CG 3.97Å; E21-E24 HydrophobicContact CG-CG 4.13Å; E21-E24 WeakPolarHBondContact OE2-CG 3.41Å; E21-E24 PolarHBondContact OE2-N 3.16Å; E24-T28 VanDerWaalsContact O-CB 3.26Å; E24-T28 WeakPolarHBondContact O-CB 3.49Å; E24-T28 PolarHBondContact O-N 3.45Å; E24-T28 PolarHBondContact O-OG1 3Å; E24-P95 HydrophobicContact CB-CB 4.28Å; E24-G96 WeakPolarHBondContact OE2-CA 3.49Å; E24-G96 PolarHBondContact OE2-N 3.1Å; E24-M137 HydrophobicContact CB-SD 3.87Å; E24-M137 HydrophobicContact CG-SD 4.31Å; E24-M137 WeakPolarHBondContact OE2-CG 3.31Å; E24-C138 VanDerWaalsContact OE1-CB 3.23Å; E24-C138 WeakPolarHBondContact OE1-CB 3.19Å; E24-C138 PolarHBondContact OE1-SG 3.37Å; E24-C138 VanDerWaalsContact OE1-SG 3.37Å; E24-C138 WeakPolarHBondContact OE2-CB 3.44Å; E24-A194 HydrophobicContact CG-CB 4.01Å; E24-A194 WeakPolarHBondContact OE1-CB 3.47Å; E24-Y195 HydrophobicContact CG-CD2 3.75Å; E24-Y195 HydrophobicContact CG-CE2 4.16Å; E24-Y195 WeakPolarHBondContact OE1-CD2 3.5Å; E24-Y195 PolarHBondContact OE1-N 2.87Å; E24-I208 HydrophobicContact CB-CD1 4.12Å; E24-I208 HydrophobicContact CG-CD1 3.98Å |
| 25 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L11 E21 H23 T28 L29 I73 P95 | L11-A25 HydrophobicContact CD2-CB 3.94Å; E21-A25 WeakPolarHBondContact O-CB 3.31Å; E21-A25 PolarHBondContact O-N 2.98Å; H23-A25 VanDerWaalsContact C-N 3.34Å; H23-A25 PolarHBondContact O-N 3.28Å; A25-T28 WeakPolarHBondContact O-CB 3.48Å; A25-T28 PolarHBondContact O-N 3.19Å; A25-L29 VanDerWaalsContact O-CG 3.28Å; A25-L29 WeakPolarHBondContact O-CG 3.24Å; A25-L29 PolarHBondContact O-N 2.86Å; A25-I73 HydrophobicContact CB-CD1 4.22Å; A25-I73 HydrophobicContact CB-CG2 4Å; A25-P95 HydrophobicContact CB-CB 4.35Å; A25-P95 HydrophobicContact CB-CG 4.29Å |
| 26 | V | 98.9 | Very high | 98.6 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 42% | 0.424 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 179.8 | 171 | 0 | 0 | 0 | 0 | 111.9 | I22 H23 T28 L29 L30 | I22-V26 HydrophobicContact CG2-CG2 4.43Å; I22-V26 WeakPolarHBondContact O-CB 3.1Å; I22-V26 VanDerWaalsContact O-CG2 3.25Å; I22-V26 WeakPolarHBondContact O-CG2 3.42Å; I22-V26 PolarHBondContact O-N 2.89Å; H23-V26 PolarHBondContact O-N 3.27Å; V26-T28 VanDerWaalsContact C-N 3.34Å; V26-L29 PolarHBondContact O-N 2.87Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 PolarHBondContact O-N 3.15Å |
| 27 | L | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.3 | -71.7 | 167.7 | 0 | 0 | 0 | 111.3 | H23 L30 A31 I201 A204 A205 I208 | H23-L27 HydrophobicContact CB-CD1 4.48Å; H23-L27 VanDerWaalsContact O-CB 3.23Å; H23-L27 WeakPolarHBondContact O-CB 3.5Å; H23-L27 WeakPolarHBondContact O-CD1 3.41Å; H23-L27 WeakPolarHBondContact O-CG 3.25Å; H23-L27 PolarHBondContact O-N 3.24Å; L27-L30 HydrophobicContact CD2-CD2 4.48Å; L27-L30 PolarHBondContact O-N 3.36Å; L27-A31 WeakPolarHBondContact O-CB 3.31Å; L27-A31 PolarHBondContact O-N 3.45Å; L27-I201 HydrophobicContact CD1-CG1 3.99Å; L27-A204 HydrophobicContact CD1-CB 4.41Å; L27-A205 HydrophobicContact CD1-CB 3.85Å; L27-A205 HydrophobicContact CD2-CB 3.71Å; L27-A205 HydrophobicContact CG-CB 4.38Å; L27-I208 HydrophobicContact CB-CD1 4.12Å; L27-I208 HydrophobicContact CB-CG2 4.13Å; L27-I208 HydrophobicContact CD1-CD1 4.03Å |
| 28 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -52.7 | 172.5 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | V9 E24 A25 V26 L30 A31 I32 I93 M137 V212 | V9-T28 HydrophobicContact CG2-CG2 4.41Å; E24-T28 VanDerWaalsContact O-CB 3.26Å; E24-T28 WeakPolarHBondContact O-CB 3.49Å; E24-T28 PolarHBondContact O-N 3.45Å; E24-T28 PolarHBondContact O-OG1 3Å; A25-T28 WeakPolarHBondContact O-CB 3.48Å; A25-T28 PolarHBondContact O-N 3.19Å; V26-T28 VanDerWaalsContact C-N 3.34Å; T28-L30 VanDerWaalsContact C-N 3.27Å; T28-L30 PolarHBondContact O-N 2.92Å; T28-A31 PolarHBondContact O-N 2.97Å; T28-I32 HydrophobicContact CG2-CD1 3.81Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.39Å; T28-I32 PolarHBondContact O-N 3.34Å; T28-I93 HydrophobicContact CG2-CB 4.32Å; T28-I93 HydrophobicContact CG2-CD1 4.32Å; T28-I93 HydrophobicContact CG2-CG2 3.72Å; T28-M137 VanDerWaalsContact OG1-CE 3.29Å; T28-M137 WeakPolarHBondContact OG1-CE 3.34Å; T28-V212 HydrophobicContact CG2-CG2 4.39Å |
| 29 | L | 98.9 | Very high | 98.6 | Very high | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 179.1 | -66 | 174.6 | 0 | 0 | 0 | 111.8 | V9 A25 V26 S33 A39 I73 | V9-L29 HydrophobicContact CG2-CD2 4.18Å; A25-L29 VanDerWaalsContact O-CG 3.28Å; A25-L29 WeakPolarHBondContact O-CG 3.24Å; A25-L29 PolarHBondContact O-N 2.86Å; V26-L29 PolarHBondContact O-N 2.87Å; L29-S33 VanDerWaalsContact O-CB 3.3Å; L29-S33 WeakPolarHBondContact O-CB 3.47Å; L29-S33 PolarHBondContact O-N 2.8Å; L29-A39 HydrophobicContact CD2-CB 3.5Å; L29-I73 HydrophobicContact CD1-CG2 4.1Å |
| 30 | L | 98.9 | Very high | 98.6 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.5 | -46.5 | 178.1 | 179 | 55.5 | 0 | 0 | 0 | 111.7 | V26 L27 T28 S33 R34 | V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 PolarHBondContact O-N 3.15Å; L27-L30 HydrophobicContact CD2-CD2 4.48Å; L27-L30 PolarHBondContact O-N 3.36Å; T28-L30 VanDerWaalsContact C-N 3.27Å; T28-L30 PolarHBondContact O-N 2.92Å; L30-S33 PolarHBondContact O-N 2.74Å; L30-R34 HydrophobicContact CD1-CG 4.26Å; L30-R34 WeakPolarHBondContact O-CB 3.38Å; L30-R34 VanDerWaalsContact O-CG 3.27Å; L30-R34 WeakPolarHBondContact O-CG 3.4Å; L30-R34 PolarHBondContact O-N 3.07Å |
| 31 | A | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 5% | 0.05 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 T28 S33 R34 S35 D209 V212 | L27-A31 WeakPolarHBondContact O-CB 3.31Å; L27-A31 PolarHBondContact O-N 3.45Å; T28-A31 PolarHBondContact O-N 2.97Å; A31-S33 VanDerWaalsContact C-N 3.34Å; A31-S33 PolarHBondContact O-N 2.81Å; A31-R34 PolarHBondContact O-N 2.85Å; A31-S35 PolarHBondContact O-N 2.94Å; A31-S35 PolarHBondContact O-OG 2.83Å; A31-D209 WeakPolarHBondContact CB-OD1 2.82Å; A31-V212 HydrophobicContact CB-CB 3.79Å; A31-V212 HydrophobicContact CB-CG1 3.71Å; A31-V212 HydrophobicContact CB-CG2 3.9Å |
| 32 | I | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -49.1 | 174.9 | -68.1 | 165.2 | 0 | 0 | 0 | 110.2 | I7 V9 T28 S35 A37 A39 I93 V212 | I7-I32 HydrophobicContact CB-CD1 3.99Å; I7-I32 HydrophobicContact CB-CG1 4.35Å; I7-I32 HydrophobicContact CB-CG2 4.27Å; I7-I32 HydrophobicContact CG1-CG1 4.41Å; I7-I32 HydrophobicContact CG1-CG2 4.04Å; I7-I32 HydrophobicContact CG2-CD1 3.75Å; I7-I32 HydrophobicContact CG2-CG1 4.24Å; V9-I32 HydrophobicContact CG2-CD1 3.68Å; T28-I32 HydrophobicContact CG2-CD1 3.81Å; T28-I32 VanDerWaalsContact O-CG1 3.28Å; T28-I32 WeakPolarHBondContact O-CG1 3.39Å; T28-I32 PolarHBondContact O-N 3.34Å; I32-S35 PolarHBondContact O-N 3.12Å; I32-A37 HydrophobicContact CG2-CB 3.91Å; I32-A37 PolarHBondContact O-N 2.96Å; I32-A39 HydrophobicContact CD1-CB 4.29Å; I32-A39 HydrophobicContact CG2-CB 4.1Å; I32-I93 HydrophobicContact CD1-CD1 4.43Å; I32-V212 HydrophobicContact CG1-CG1 3.9Å |
| 33 | S | 98.4 | Very high | 98.6 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.1 | -43.2 | -178.5 | -179 | 0 | 0 | 0 | 0 | 112.6 | L29 L30 A31 S35 G36 | L29-S33 VanDerWaalsContact O-CB 3.3Å; L29-S33 WeakPolarHBondContact O-CB 3.47Å; L29-S33 PolarHBondContact O-N 2.8Å; L30-S33 PolarHBondContact O-N 2.74Å; A31-S33 VanDerWaalsContact C-N 3.34Å; A31-S33 PolarHBondContact O-N 2.81Å; S33-S35 PolarHBondContact O-N 2.96Å; S33-G36 PolarHBondContact O-N 3.21Å |
| 34 | R | 98.2 | Very high | 98.6 | Very high | 157 Ų | 157 | 34.6 Ų | 34.6 | 59% | 0.592 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.6 | -31.1 | 177.4 | -73.5 | 178.4 | -155.9 | 163.3 | 3.4 | 112.7 | L30 A31 G36 D209 | L30-R34 HydrophobicContact CD1-CG 4.26Å; L30-R34 WeakPolarHBondContact O-CB 3.38Å; L30-R34 VanDerWaalsContact O-CG 3.27Å; L30-R34 WeakPolarHBondContact O-CG 3.4Å; L30-R34 PolarHBondContact O-N 3.07Å; A31-R34 PolarHBondContact O-N 2.85Å; R34-G36 PolarHBondContact O-N 3.01Å; R34-D209 IonicContact NH1-OD1 3.4Å; R34-D209 IonicContact NH1-OD2 3.43Å |
| 35 | S | 97.5 | Very high | 98.6 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 53% | 0.531 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.4 | 175.9 | -63 | 0 | 0 | 0 | 0 | 113.9 | A31 I32 S33 A37 L216 | A31-S35 PolarHBondContact O-N 2.94Å; A31-S35 PolarHBondContact O-OG 2.83Å; I32-S35 PolarHBondContact O-N 3.12Å; S33-S35 PolarHBondContact O-N 2.96Å; S35-A37 VanDerWaalsContact C-N 3.28Å; S35-A37 PolarHBondContact O-N 3.18Å; S35-L216 WeakPolarHBondContact OG-CD1 3.46Å |
| 36 | G | 97.1 | Very high | 98.6 | Very high | 48 Ų | 48 | 43 Ų | 43 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 15.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S33 R34 | S33-G36 PolarHBondContact O-N 3.21Å; R34-G36 PolarHBondContact O-N 3.01Å |
| 37 | A | 98 | Very high | 98.6 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 162.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K5 I7 I32 S35 L216 | K5-A37 HydrophobicContact CB-CB 4.33Å; K5-A37 WeakPolarHBondContact O-CB 3.45Å; I7-A37 HydrophobicContact CG1-CB 4.08Å; I32-A37 HydrophobicContact CG2-CB 3.91Å; I32-A37 PolarHBondContact O-N 2.96Å; S35-A37 VanDerWaalsContact C-N 3.28Å; S35-A37 PolarHBondContact O-N 3.18Å; A37-L216 HydrophobicContact CB-CD2 3.99Å |
| 38 | Q | 98.5 | Very high | 98.6 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 42% | 0.416 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123 | 177.7 | -176.8 | 177.9 | 15.9 | 0 | 0 | 110.3 | M4 K5 K6 I7 V40 | M4-Q38 HydrophobicContact CG-CB 4.14Å; M4-Q38 HydrophobicContact SD-CB 3.79Å; K5-Q38 PolarHBondContact O-N 2.64Å; K6-Q38 CarbonylContact C-O 3.53Å; K6-Q38 WeakPolarHBondContact CA-O 3.4Å; K6-Q38 HydrophobicContact CG-CB 4.45Å; I7-Q38 PolarHBondContact N-O 3.04Å; Q38-V40 HydrophobicContact CG-CG2 4.26Å |
| 39 | A | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I7 V9 L29 I32 | I7-A39 CarbonylContact O-C 3.54Å; I7-A39 WeakPolarHBondContact O-CA 3.19Å; V9-A39 HydrophobicContact CG2-CB 4.32Å; L29-A39 HydrophobicContact CD2-CB 3.5Å; I32-A39 HydrophobicContact CD1-CB 4.29Å; I32-A39 HydrophobicContact CG2-CB 4.1Å |
| 40 | V | 98.8 | Very high | 98.5 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 98.2 | 176.7 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | K6 I7 G8 V9 Q38 F42 L89 | K6-V40 HydrophobicContact CB-CG2 4.08Å; K6-V40 HydrophobicContact CG-CG2 4.29Å; I7-V40 PolarHBondContact O-N 3.44Å; G8-V40 CarbonylContact C-O 3.52Å; G8-V40 VanDerWaalsContact CA-O 3.32Å; G8-V40 WeakPolarHBondContact CA-O 3.27Å; V9-V40 PolarHBondContact N-O 3.02Å; Q38-V40 HydrophobicContact CG-CG2 4.26Å; V40-F42 HydrophobicContact CB-CE2 4.24Å; V40-F42 HydrophobicContact CG1-CE2 3.61Å; V40-F42 HydrophobicContact CG1-CZ 3.6Å; V40-F42 VanDerWaalsContact O-CD2 3.27Å; V40-F42 WeakPolarHBondContact O-CD2 3.26Å; V40-F42 VanDerWaalsContact O-CE2 3.29Å; V40-F42 WeakPolarHBondContact O-CE2 3.25Å; V40-L89 HydrophobicContact CB-CD2 3.91Å; V40-L89 HydrophobicContact CG1-CD2 4.15Å; V40-L89 HydrophobicContact CG2-CD2 4.18Å |
| 41 | C | 98.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 143.1 | -168.4 | -54.6 | 0 | 0 | 0 | 0 | 112.7 | V9 T74 I78 R79 | V9-C41 CarbonylContact O-C 3.03Å; V9-C41 WeakPolarHBondContact O-CA 3.47Å; C41-T74 HydrophobicContact CB-CG2 3.63Å; C41-I78 HydrophobicContact CB-CB 4.3Å; C41-I78 HydrophobicContact CB-CD1 4.45Å; C41-I78 HydrophobicContact CB-CG1 4.01Å; C41-R79 PolarHBondContact O-N 3.3Å; C41-R79 VanDerWaalsContact O-N 3.08Å |
| 42 | F | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.7 | 175 | -54.7 | -89.4 | 0 | 0 | 0 | 111.7 | V9 I10 L11 V40 R79 L81 A84 L89 | V9-F42 PolarHBondContact O-N 3.43Å; I10-F42 WeakPolarHBondContact CA-O 3.31Å; I10-F42 HydrophobicContact CD1-CB 3.84Å; I10-F42 HydrophobicContact CD1-CD2 3.97Å; I10-F42 HydrophobicContact CD1-CG 4.33Å; L11-F42 PolarHBondContact N-O 3.02Å; V40-F42 HydrophobicContact CB-CE2 4.24Å; V40-F42 HydrophobicContact CG1-CE2 3.61Å; V40-F42 HydrophobicContact CG1-CZ 3.6Å; V40-F42 VanDerWaalsContact O-CD2 3.27Å; V40-F42 WeakPolarHBondContact O-CD2 3.26Å; V40-F42 VanDerWaalsContact O-CE2 3.29Å; V40-F42 WeakPolarHBondContact O-CE2 3.25Å; F42-R79 WeakPolarHBondContact CA-O 3.37Å; F42-R79 HydrophobicContact CD1-CB 3.81Å; F42-R79 HydrophobicContact CE1-CB 4.03Å; F42-L81 HydrophobicContact CB-CD1 3.98Å; F42-A84 HydrophobicContact CD1-CB 3.8Å; F42-A84 HydrophobicContact CD2-CB 4.15Å; F42-A84 VanDerWaalsContact CE1-CA 3.44Å; F42-A84 HydrophobicContact CE1-CB 3.62Å; F42-A84 HydrophobicContact CE2-CB 3.98Å; F42-A84 HydrophobicContact CG-CB 4.05Å; F42-A84 HydrophobicContact CZ-CB 3.69Å; F42-L89 HydrophobicContact CE2-CD1 4.16Å; F42-L89 HydrophobicContact CE2-CD2 4.34Å |
| 43 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 147.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.5 | L11 D45 V66 L67 A70 I78 R79 P80 L81 | L11-A43 HydrophobicContact CB-CB 4.37Å; L11-A43 WeakPolarHBondContact O-CB 3.24Å; A43-D45 PolarHBondContact O-N 3.39Å; A43-V66 HydrophobicContact CB-CG1 4.15Å; A43-L67 HydrophobicContact CB-CB 4.37Å; A43-L67 HydrophobicContact CB-CD1 4Å; A43-A70 HydrophobicContact CB-CB 3.84Å; A43-I78 HydrophobicContact CB-CD1 3.74Å; A43-R79 PolarHBondContact N-O 3.42Å; A43-R79 VanDerWaalsContact N-O 3.14Å; A43-P80 CarbonylContact O-C 3.26Å; A43-P80 WeakPolarHBondContact O-CA 3.38Å; A43-L81 PolarHBondContact O-N 2.78Å |
| 44 | P | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | trans | -65.6 | 133.7 | 177.7 | 27.4 | -33.9 | 0 | 0 | 0 | 110.3 | L11 K46 V66 L81 L104 | L11-P44 WeakPolarHBondContact O-CD 3.39Å; P44-K46 VanDerWaalsContact C-N 3.35Å; P44-K46 HydrophobicContact CB-CD 4.13Å; P44-K46 HydrophobicContact CB-CG 4.18Å; P44-K46 HydrophobicContact CG-CD 4.42Å; P44-K46 HydrophobicContact CG-CG 4.4Å; P44-K46 PolarHBondContact O-N 2.92Å; P44-V66 HydrophobicContact CG-CG1 3.75Å; P44-V66 WeakPolarHBondContact O-CB 3.19Å; P44-V66 WeakPolarHBondContact O-CG1 3.34Å; P44-L81 HydrophobicContact CB-CB 4.41Å; P44-L81 HydrophobicContact CB-CD2 4.42Å; P44-L104 HydrophobicContact CG-CD2 3.93Å | ||
| 45 | D | 98.8 | Very high | 98.6 | Very high | 103 Ų | 103 | 50 Ų | 50 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -83.3 | 81.2 | 178.3 | -170.5 | 3.7 | 0 | 0 | 0 | 110.3 | A43 N65 L67 P80 | A43-D45 PolarHBondContact O-N 3.39Å; D45-N65 PolarHBondContact OD1-ND2 2.91Å; D45-L67 HydrophobicContact CB-CB 4.43Å; D45-L67 HydrophobicContact CB-CD2 3.94Å; D45-P80 HydrophobicContact CB-CB 4.27Å |
| 46 | K | 98.8 | Very high | 98.6 | Very high | 72 Ų | 72 | 49.9 Ų | 49.9 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -150.5 | 165.3 | -179.2 | 66.3 | -174 | -178 | -172.8 | 0 | 111.7 | P44 N65 V66 N103 D117 | P44-K46 VanDerWaalsContact C-N 3.35Å; P44-K46 HydrophobicContact CB-CD 4.13Å; P44-K46 HydrophobicContact CB-CG 4.18Å; P44-K46 HydrophobicContact CG-CD 4.42Å; P44-K46 HydrophobicContact CG-CG 4.4Å; P44-K46 PolarHBondContact O-N 2.92Å; K46-N65 CarbonylContact O-C 3.35Å; K46-N65 WeakPolarHBondContact O-CA 3.38Å; K46-N65 PolarHBondContact O-ND2 3.28Å; K46-V66 HydrophobicContact CG-CG2 4.21Å; K46-V66 WeakPolarHBondContact O-CB 3.46Å; K46-V66 PolarHBondContact O-N 2.99Å; K46-N103 WeakPolarHBondContact CE-O 3.24Å; K46-N103 PolarHBondContact NZ-O 2.95Å; K46-D117 IonicContact NZ-OD2 2.8Å; K46-D117 PolarHBondContact NZ-OD2 2.7Å |
| 47 | Q | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 49.7 Ų | 49.7 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | B | Isolated β-bridge | trans | -66.7 | 140.6 | 172.5 | -160.2 | -175 | -76.7 | 0 | 0 | 110.6 | R64 | Q47-R64 WeakPolarHBondContact CA-O 3.49Å; Q47-R64 WeakPolarHBondContact CG-O 3.4Å |
| 48 | Q | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.023 | 30% | 0.301 | C | S | . | . | trans | -62 | 149.8 | 165.2 | -70.5 | -178.7 | -175.2 | 0 | 0 | 109.8 | D18 D50 R64 V66 | D18-Q48 VanDerWaalsContact O-CD 3.22Å; D18-Q48 PolarHBondContact O-NE2 2.75Å; D18-Q48 PolarHBondContact O-OE1 3.25Å; Q48-D50 VanDerWaalsContact C-N 3.29Å; Q48-D50 VanDerWaalsContact CB-O 3.25Å; Q48-D50 WeakPolarHBondContact CB-O 3.44Å; Q48-D50 PolarHBondContact NE2-O 3Å; Q48-D50 PolarHBondContact O-N 2.68Å; Q48-R64 PolarHBondContact N-O 2.84Å; Q48-V66 HydrophobicContact CB-CG2 4.35Å; Q48-V66 HydrophobicContact CG-CG2 3.59Å | ||
| 49 | V | 98.6 | Very high | 98.7 | Very high | 98 Ų | 98 | 54.8 Ų | 54.8 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -69.4 | -29.3 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | K102 N103 | V49-K102 VanDerWaalsContact CG1-O 3.3Å; V49-K102 WeakPolarHBondContact CG1-O 3.5Å; V49-K102 HydrophobicContact CG2-CB 3.67Å; V49-K102 HydrophobicContact CG2-CD 4.14Å; V49-K102 HydrophobicContact CG2-CG 4.19Å; V49-N103 PolarHBondContact N-OD1 3.4Å; V49-N103 VanDerWaalsContact N-OD1 3.12Å |
| 50 | D | 98.5 | Very high | 98.7 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | trans | -148 | 172.4 | 174 | 59.6 | 11.4 | 0 | 0 | 0 | 111.2 | Q48 I52 K102 | Q48-D50 VanDerWaalsContact C-N 3.29Å; Q48-D50 VanDerWaalsContact CB-O 3.25Å; Q48-D50 WeakPolarHBondContact CB-O 3.44Å; Q48-D50 PolarHBondContact NE2-O 3Å; Q48-D50 PolarHBondContact O-N 2.68Å; D50-I52 HydrophobicContact CB-CD1 4.37Å; D50-K102 IonicContact OD1-NZ 3.95Å; D50-K102 PolarHBondContact OD1-NZ 2.74Å; D50-K102 IonicContact OD2-NZ 2.74Å; D50-K102 PolarHBondContact OD2-NZ 3.23Å | ||
| 51 | V | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | trans | -131.1 | 125.1 | 170 | 179.8 | 0 | 0 | 0 | 0 | 106.5 | D18 A59 M60 E62 R64 | D18-V51 WeakPolarHBondContact OD2-CA 3.41Å; V51-A59 WeakPolarHBondContact O-CA 3.37Å; V51-M60 HydrophobicContact CB-CB 4.47Å; V51-M60 HydrophobicContact CG1-CB 4.31Å; V51-M60 HydrophobicContact CG1-SD 4.34Å; V51-M60 PolarHBondContact O-N 3.29Å; V51-E62 HydrophobicContact CB-CG 4Å; V51-E62 HydrophobicContact CG1-CG 3.81Å; V51-E62 HydrophobicContact CG2-CG 4.16Å; V51-R64 HydrophobicContact CG1-CG 4.43Å; V51-R64 HydrophobicContact CG2-CB 4.01Å; V51-R64 HydrophobicContact CG2-CG 3.81Å | ||
| 52 | I | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 66.7 Ų | 66.7 | 9% | 0.087 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.3 | -173 | -58.2 | -58.9 | 0 | 0 | 0 | 110.4 | Y17 D18 D50 H54 A59 | Y17-I52 HydrophobicContact CD2-CG2 3.81Å; Y17-I52 HydrophobicContact CG-CG2 4.1Å; D18-I52 HydrophobicContact CB-CB 4.38Å; D18-I52 HydrophobicContact CB-CG1 4.13Å; D18-I52 PolarHBondContact OD2-N 3.18Å; D50-I52 HydrophobicContact CB-CD1 4.37Å; I52-H54 PolarHBondContact O-N 2.97Å; I52-H54 VanDerWaalsContact O-N 3.07Å; I52-H54 PolarHBondContact O-ND1 2.99Å; I52-A59 HydrophobicContact CD1-CB 4.03Å |
| 53 | N | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 71.2 Ų | 71.2 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 104.6 | 167.2 | -176.6 | -14.7 | 0 | 0 | 0 | 108.9 | L55 T56 G57 E58 M60 | N53-L55 PolarHBondContact O-N 3.11Å; N53-L55 VanDerWaalsContact O-N 3.1Å; N53-L55 VanDerWaalsContact OD1-CB 3.29Å; N53-L55 WeakPolarHBondContact OD1-CB 3.46Å; N53-L55 PolarHBondContact OD1-N 2.66Å; N53-T56 PolarHBondContact O-N 2.95Å; N53-T56 VanDerWaalsContact O-N 3.12Å; N53-G57 WeakPolarHBondContact O-CA 3.32Å; N53-G57 PolarHBondContact O-N 3.43Å; N53-E58 PolarHBondContact N-O 3.39Å; N53-M60 HydrophobicContact CB-CG 3.83Å; N53-M60 HydrophobicContact CB-SD 3.85Å |
| 54 | H | 98.4 | Very high | 98.6 | Very high | 79 Ų | 79 | 74.9 Ų | 74.9 | 37% | 0.366 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.4 | -177.6 | -75.8 | 54.7 | 0 | 0 | 0 | 114.1 | G15 V16 Y17 D18 I52 | G15-H54 WeakPolarHBondContact CA-NE2 3.23Å; V16-H54 PolarHBondContact N-NE2 3.01Å; Y17-H54 HydrophobicContact CD2-CB 4.33Å; Y17-H54 AromaticContact CD2-CD2 3.68Å; Y17-H54 AromaticContact CD2-CG 3.78Å; Y17-H54 AromaticContact CD2-NE2 3.9Å; Y17-H54 PolarHBondContact N-NE2 3.46Å; Y17-H54 VanDerWaalsContact N-NE2 3.15Å; D18-H54 IonicContact OD1-CE1 2.74Å; D18-H54 PolarHBondContact OD1-CE1 3.43Å; I52-H54 PolarHBondContact O-N 2.97Å; I52-H54 VanDerWaalsContact O-N 3.07Å; I52-H54 PolarHBondContact O-ND1 2.99Å |
| 55 | L | 98.5 | Very high | 98.6 | Very high | 160 Ų | 160 | 76.5 Ų | 76.5 | 84% | 0.838 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -36.2 | 174.1 | -176 | 62.7 | 0 | 0 | 0 | 112.3 | N53 | N53-L55 PolarHBondContact O-N 3.11Å; N53-L55 VanDerWaalsContact O-N 3.1Å; N53-L55 VanDerWaalsContact OD1-CB 3.29Å; N53-L55 WeakPolarHBondContact OD1-CB 3.46Å; N53-L55 PolarHBondContact OD1-N 2.66Å |
| 56 | T | 98.4 | Very high | 98.6 | Very high | 74 Ų | 74 | 71.6 Ų | 71.6 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -18.1 | -175.7 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | N53 E58 | N53-T56 PolarHBondContact O-N 2.95Å; N53-T56 VanDerWaalsContact O-N 3.12Å; T56-E58 PolarHBondContact O-N 3.09Å; T56-E58 WeakPolarHBondContact OG1-CB 3.45Å; T56-E58 PolarHBondContact OG1-N 3.18Å; T56-E58 PolarHBondContact OG1-OE2 3.37Å |
| 57 | G | 98.1 | Very high | 98.6 | Very high | 45 Ų | 45 | 69.2 Ų | 69.2 | 46% | 0.464 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 4.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N53 | N53-G57 WeakPolarHBondContact O-CA 3.32Å; N53-G57 PolarHBondContact O-N 3.43Å |
| 58 | E | 98.5 | Very high | 98.6 | Very high | 132 Ų | 132 | 68.8 Ų | 68.8 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 149.7 | -174.3 | -60.8 | 175.1 | 135.1 | 0 | 0 | 112.2 | N53 T56 | N53-E58 PolarHBondContact N-O 3.39Å; T56-E58 PolarHBondContact O-N 3.09Å; T56-E58 WeakPolarHBondContact OG1-CB 3.45Å; T56-E58 PolarHBondContact OG1-N 3.18Å; T56-E58 PolarHBondContact OG1-OE2 3.37Å |
| 59 | A | 98.4 | Very high | 98.6 | Very high | 76 Ų | 76 | 69.2 Ų | 69.2 | 63% | 0.628 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 137.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V51 I52 | V51-A59 WeakPolarHBondContact O-CA 3.37Å; I52-A59 HydrophobicContact CD1-CB 4.03Å |
| 60 | M | 98.6 | Very high | 98.7 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 35% | 0.35 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 147.9 | 177.1 | -62.8 | -176.1 | 69 | 0 | 0 | 111 | V51 N53 E62 | V51-M60 HydrophobicContact CB-CB 4.47Å; V51-M60 HydrophobicContact CG1-CB 4.31Å; V51-M60 HydrophobicContact CG1-SD 4.34Å; V51-M60 PolarHBondContact O-N 3.29Å; N53-M60 HydrophobicContact CB-CG 3.83Å; N53-M60 HydrophobicContact CB-SD 3.85Å; M60-E62 HydrophobicContact CB-CG 3.97Å; M60-E62 VanDerWaalsContact CE-OE1 3.28Å; M60-E62 WeakPolarHBondContact CE-OE1 3.46Å; M60-E62 PolarHBondContact O-N 2.96Å |
| 61 | T | 98.4 | Very high | 98.7 | Very high | 160 Ų | 160 | 63.8 Ų | 63.8 | 98% | 0.982 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -82.8 | 61.6 | 176.1 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 62 | E | 98.6 | Very high | 98.7 | Very high | 82 Ų | 82 | 71.2 Ų | 71.2 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | trans | -149.2 | 171.4 | 176.8 | 65 | 180 | 69 | 0 | 0 | 110.9 | V51 M60 R64 | V51-E62 HydrophobicContact CB-CG 4Å; V51-E62 HydrophobicContact CG1-CG 3.81Å; V51-E62 HydrophobicContact CG2-CG 4.16Å; M60-E62 HydrophobicContact CB-CG 3.97Å; M60-E62 VanDerWaalsContact CE-OE1 3.28Å; M60-E62 WeakPolarHBondContact CE-OE1 3.46Å; M60-E62 PolarHBondContact O-N 2.96Å; E62-R64 IonicContact OE2-CZ 3.16Å; E62-R64 IonicContact OE2-NE 3.89Å; E62-R64 PolarHBondContact OE2-NE 3.05Å; E62-R64 IonicContact OE2-NH2 2.75Å; E62-R64 PolarHBondContact OE2-NH2 2.8Å | ||
| 63 | T | 98.7 | Very high | 98.7 | Very high | 96 Ų | 96 | 71.5 Ų | 71.5 | 59% | 0.589 | 39% | 0.388 | S | S | * | . | trans | -128.5 | 141.5 | 176.5 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 64 | R | 98.8 | Very high | 98.7 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | trans | -130.2 | 156.7 | 175.1 | -65.7 | 179.7 | -172.4 | 176.3 | 7.2 | 110.7 | Q47 Q48 V51 E62 E69 | Q47-R64 WeakPolarHBondContact CA-O 3.49Å; Q47-R64 WeakPolarHBondContact CG-O 3.4Å; Q48-R64 PolarHBondContact N-O 2.84Å; V51-R64 HydrophobicContact CG1-CG 4.43Å; V51-R64 HydrophobicContact CG2-CB 4.01Å; V51-R64 HydrophobicContact CG2-CG 3.81Å; E62-R64 IonicContact OE2-CZ 3.16Å; E62-R64 IonicContact OE2-NE 3.89Å; E62-R64 PolarHBondContact OE2-NE 3.05Å; E62-R64 IonicContact OE2-NH2 2.75Å; E62-R64 PolarHBondContact OE2-NH2 2.8Å; R64-E69 HydrophobicContact CB-CG 3.69Å; R64-E69 HydrophobicContact CG-CG 4.26Å | ||
| 65 | N | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 76.3 Ų | 76.3 | 19% | 0.187 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -99.8 | 132.1 | 176.9 | 173 | -66.8 | 0 | 0 | 0 | 110.1 | D45 K46 L67 I68 E69 | D45-N65 PolarHBondContact OD1-ND2 2.91Å; K46-N65 CarbonylContact O-C 3.35Å; K46-N65 WeakPolarHBondContact O-CA 3.38Å; K46-N65 PolarHBondContact O-ND2 3.28Å; N65-L67 PolarHBondContact O-N 3.43Å; N65-L67 WeakPolarHBondContact OD1-CA 3.46Å; N65-L67 WeakPolarHBondContact OD1-CB 3.47Å; N65-L67 PolarHBondContact OD1-N 3.41Å; N65-I68 HydrophobicContact CB-CB 4.04Å; N65-I68 HydrophobicContact CB-CD1 3.88Å; N65-I68 HydrophobicContact CB-CG1 3.93Å; N65-I68 PolarHBondContact O-N 3.15Å; N65-I68 PolarHBondContact OD1-N 3.26Å; N65-E69 WeakPolarHBondContact O-CG 3.33Å; N65-E69 PolarHBondContact O-N 3.4Å |
| 66 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -53.7 | -49 | -176.7 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | S12 A43 P44 K46 Q48 A70 N103 | S12-V66 VanDerWaalsContact C-CG1 3.5Å; A43-V66 HydrophobicContact CB-CG1 4.15Å; P44-V66 HydrophobicContact CG-CG1 3.75Å; P44-V66 WeakPolarHBondContact O-CB 3.19Å; P44-V66 WeakPolarHBondContact O-CG1 3.34Å; K46-V66 HydrophobicContact CG-CG2 4.21Å; K46-V66 WeakPolarHBondContact O-CB 3.46Å; K46-V66 PolarHBondContact O-N 2.99Å; Q48-V66 HydrophobicContact CB-CG2 4.35Å; Q48-V66 HydrophobicContact CG-CG2 3.59Å; V66-A70 WeakPolarHBondContact O-CB 3.26Å; V66-A70 PolarHBondContact O-N 3.49Å; V66-N103 HydrophobicContact CG2-CB 4.01Å |
| 67 | L | 98.9 | Very high | 98.7 | Very high | 23 Ų | 23 | 75.2 Ų | 75.2 | 12% | 0.12 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.2 | -44 | 179.6 | 175.2 | 64.3 | 0 | 0 | 0 | 112.1 | A43 D45 N65 E69 A70 A71 I78 P80 | A43-L67 HydrophobicContact CB-CB 4.37Å; A43-L67 HydrophobicContact CB-CD1 4Å; D45-L67 HydrophobicContact CB-CB 4.43Å; D45-L67 HydrophobicContact CB-CD2 3.94Å; N65-L67 PolarHBondContact O-N 3.43Å; N65-L67 WeakPolarHBondContact OD1-CA 3.46Å; N65-L67 WeakPolarHBondContact OD1-CB 3.47Å; N65-L67 PolarHBondContact OD1-N 3.41Å; L67-E69 PolarHBondContact O-N 2.9Å; L67-A70 PolarHBondContact O-N 3.44Å; L67-A71 PolarHBondContact O-N 3.08Å; L67-I78 HydrophobicContact CD1-CB 4.41Å; L67-I78 HydrophobicContact CD1-CD1 4.04Å; L67-I78 HydrophobicContact CD1-CG1 3.84Å; L67-I78 HydrophobicContact CD1-CG2 3.84Å; L67-P80 HydrophobicContact CD2-CB 4.19Å; L67-P80 HydrophobicContact CD2-CG 3.69Å |
| 68 | I | 98.9 | Very high | 98.7 | Very high | 109 Ų | 109 | 74.3 Ų | 74.3 | 56% | 0.559 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 179.5 | -65.2 | -178.5 | 0 | 0 | 0 | 110.8 | N65 A71 | N65-I68 HydrophobicContact CB-CB 4.04Å; N65-I68 HydrophobicContact CB-CD1 3.88Å; N65-I68 HydrophobicContact CB-CG1 3.93Å; N65-I68 PolarHBondContact O-N 3.15Å; N65-I68 PolarHBondContact OD1-N 3.26Å; I68-A71 WeakPolarHBondContact O-CB 3.43Å |
| 69 | E | 98.9 | Very high | 98.8 | Very high | 15 Ų | 15 | 71.8 Ų | 71.8 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.8 | -41.1 | 178.5 | -59.3 | -48.7 | 125 | 0 | 0 | 111.7 | C14 R64 N65 L67 A71 R72 | C14-E69 HydrophobicContact CB-CB 4.18Å; C14-E69 WeakPolarHBondContact CB-O 3.49Å; R64-E69 HydrophobicContact CB-CG 3.69Å; R64-E69 HydrophobicContact CG-CG 4.26Å; N65-E69 WeakPolarHBondContact O-CG 3.33Å; N65-E69 PolarHBondContact O-N 3.4Å; L67-E69 PolarHBondContact O-N 2.9Å; E69-A71 PolarHBondContact O-N 3.39Å; E69-R72 WeakPolarHBondContact O-CB 3.13Å; E69-R72 VanDerWaalsContact O-CG 3.22Å; E69-R72 WeakPolarHBondContact O-CG 3.44Å; E69-R72 PolarHBondContact O-N 3.07Å; E69-R72 IonicContact OE1-NH2 3.71Å; E69-R72 IonicContact OE2-CZ 3.3Å; E69-R72 VanDerWaalsContact OE2-CZ 3.3Å; E69-R72 IonicContact OE2-NE 2.72Å; E69-R72 PolarHBondContact OE2-NE 3.29Å; E69-R72 IonicContact OE2-NH2 3Å; E69-R72 PolarHBondContact OE2-NH2 3.03Å |
| 70 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61 | -28.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L11 A43 V66 L67 R72 I73 I78 | L11-A70 HydrophobicContact CB-CB 3.85Å; L11-A70 HydrophobicContact CD1-CB 4.23Å; A43-A70 HydrophobicContact CB-CB 3.84Å; V66-A70 WeakPolarHBondContact O-CB 3.26Å; V66-A70 PolarHBondContact O-N 3.49Å; L67-A70 PolarHBondContact O-N 3.44Å; A70-R72 PolarHBondContact O-N 2.84Å; A70-R72 VanDerWaalsContact O-N 3.1Å; A70-I73 WeakPolarHBondContact O-CB 3.43Å; A70-I73 PolarHBondContact O-N 3.31Å; A70-I78 HydrophobicContact CB-CD1 3.62Å |
| 71 | A | 98.8 | Very high | 98.8 | Very high | 26 Ų | 26 | 66.4 Ų | 66.4 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L67 I68 E69 T74 R75 G76 I78 | L67-A71 PolarHBondContact O-N 3.08Å; I68-A71 WeakPolarHBondContact O-CB 3.43Å; E69-A71 PolarHBondContact O-N 3.39Å; A71-T74 PolarHBondContact O-N 2.9Å; A71-T74 PolarHBondContact O-OG1 3.2Å; A71-R75 PolarHBondContact O-N 3.37Å; A71-G76 PolarHBondContact O-N 3.33Å; A71-I78 HydrophobicContact CB-CG2 3.66Å |
| 72 | R | 98.9 | Very high | 98.8 | Very high | 161 Ų | 161 | 62.1 Ų | 62.1 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -40.4 | 173.5 | -61.7 | 175.4 | -174.4 | -78.3 | -2 | 111.9 | C14 E69 A70 T74 | C14-R72 HydrophobicContact CB-CB 4.48Å; E69-R72 WeakPolarHBondContact O-CB 3.13Å; E69-R72 VanDerWaalsContact O-CG 3.22Å; E69-R72 WeakPolarHBondContact O-CG 3.44Å; E69-R72 PolarHBondContact O-N 3.07Å; E69-R72 IonicContact OE1-NH2 3.71Å; E69-R72 IonicContact OE2-CZ 3.3Å; E69-R72 VanDerWaalsContact OE2-CZ 3.3Å; E69-R72 IonicContact OE2-NE 2.72Å; E69-R72 PolarHBondContact OE2-NE 3.29Å; E69-R72 IonicContact OE2-NH2 3Å; E69-R72 PolarHBondContact OE2-NH2 3.03Å; A70-R72 PolarHBondContact O-N 2.84Å; A70-R72 VanDerWaalsContact O-N 3.1Å; R72-T74 VanDerWaalsContact C-N 3.35Å |
| 73 | I | 98.9 | Very high | 98.8 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -41.7 | 178.6 | -65.2 | 169.7 | 0 | 0 | 0 | 109.9 | L11 C14 A25 L29 A70 | L11-I73 HydrophobicContact CD1-CB 4.16Å; L11-I73 HydrophobicContact CD1-CD1 4.27Å; L11-I73 HydrophobicContact CD1-CG2 4.12Å; C14-I73 HydrophobicContact CB-CD1 4.23Å; C14-I73 HydrophobicContact CB-CG1 4.27Å; A25-I73 HydrophobicContact CB-CD1 4.22Å; A25-I73 HydrophobicContact CB-CG2 4Å; L29-I73 HydrophobicContact CD1-CG2 4.1Å; A70-I73 WeakPolarHBondContact O-CB 3.43Å; A70-I73 PolarHBondContact O-N 3.31Å |
| 74 | T | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 5.5 | -171.5 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | L11 C41 A71 R72 G76 E77 I78 | L11-T74 HydrophobicContact CD1-CG2 3.66Å; C41-T74 HydrophobicContact CB-CG2 3.63Å; A71-T74 PolarHBondContact O-N 2.9Å; A71-T74 PolarHBondContact O-OG1 3.2Å; R72-T74 VanDerWaalsContact C-N 3.35Å; T74-G76 PolarHBondContact O-N 2.73Å; T74-E77 WeakPolarHBondContact CB-O 3.17Å; T74-E77 WeakPolarHBondContact O-CB 3.39Å; T74-E77 PolarHBondContact O-N 3.03Å; T74-E77 PolarHBondContact OG1-N 3.42Å; T74-I78 HydrophobicContact CG2-CB 4.25Å; T74-I78 HydrophobicContact CG2-CD1 4.25Å; T74-I78 WeakPolarHBondContact OG1-CB 3.43Å |
| 75 | R | 98.6 | Very high | 98.8 | Very high | 226 Ų | 226 | 60 Ų | 60 | 85% | 0.853 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 34.3 | -176.1 | -57.1 | 169.9 | 55.1 | 78.9 | 3 | 113 | A71 | A71-R75 PolarHBondContact O-N 3.37Š|
| 76 | G | 98.6 | Very high | 98.8 | Very high | 51 Ų | 51 | 59.1 Ų | 59.1 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -7.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A71 T74 I78 | A71-G76 PolarHBondContact O-N 3.33Å; T74-G76 PolarHBondContact O-N 2.73Å; G76-I78 VanDerWaalsContact C-N 3.26Å; G76-I78 PolarHBondContact O-N 2.83Å |
| 77 | E | 98.8 | Very high | 98.7 | Very high | 159 Ų | 159 | 62.9 Ų | 62.9 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | trans | -83.5 | 66.6 | 177.5 | -60.2 | -171.7 | 97.9 | 0 | 0 | 111 | T74 | T74-E77 WeakPolarHBondContact CB-O 3.17Å; T74-E77 WeakPolarHBondContact O-CB 3.39Å; T74-E77 PolarHBondContact O-N 3.03Å; T74-E77 PolarHBondContact OG1-N 3.42Å | ||
| 78 | I | 98.9 | Very high | 98.7 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.138 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 150.7 | -179.1 | -166.3 | 166.4 | 0 | 0 | 0 | 110.8 | L11 C41 A43 L67 A70 A71 T74 G76 | L11-I78 HydrophobicContact CD1-CD1 4.08Å; C41-I78 HydrophobicContact CB-CB 4.3Å; C41-I78 HydrophobicContact CB-CD1 4.45Å; C41-I78 HydrophobicContact CB-CG1 4.01Å; A43-I78 HydrophobicContact CB-CD1 3.74Å; L67-I78 HydrophobicContact CD1-CB 4.41Å; L67-I78 HydrophobicContact CD1-CD1 4.04Å; L67-I78 HydrophobicContact CD1-CG1 3.84Å; L67-I78 HydrophobicContact CD1-CG2 3.84Å; A70-I78 HydrophobicContact CB-CD1 3.62Å; A71-I78 HydrophobicContact CB-CG2 3.66Å; T74-I78 HydrophobicContact CG2-CB 4.25Å; T74-I78 HydrophobicContact CG2-CD1 4.25Å; T74-I78 WeakPolarHBondContact OG1-CB 3.43Å; G76-I78 VanDerWaalsContact C-N 3.26Å; G76-I78 PolarHBondContact O-N 2.83Å |
| 79 | R | 98.8 | Very high | 98.7 | Very high | 79 Ų | 79 | 61.1 Ų | 61.1 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.8 | 176.4 | -66.8 | -178.2 | -70.7 | 175 | -2.7 | 111.5 | C41 F42 A43 L81 Q83 E88 | C41-R79 PolarHBondContact O-N 3.3Å; C41-R79 VanDerWaalsContact O-N 3.08Å; F42-R79 WeakPolarHBondContact CA-O 3.37Å; F42-R79 HydrophobicContact CD1-CB 3.81Å; F42-R79 HydrophobicContact CE1-CB 4.03Å; A43-R79 PolarHBondContact N-O 3.42Å; A43-R79 VanDerWaalsContact N-O 3.14Å; R79-L81 PolarHBondContact O-N 3.35Å; R79-Q83 HydrophobicContact CB-CB 4.47Å; R79-E88 IonicContact NH1-OE2 2.71Å |
| 80 | P | 98.8 | Very high | 98.7 | Very high | 29 Ų | 29 | 62.5 Ų | 62.5 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 138.7 | 165.1 | -22.9 | 31.4 | 0 | 0 | 0 | 111.2 | A43 D45 L67 A82 Q83 | A43-P80 CarbonylContact O-C 3.26Å; A43-P80 WeakPolarHBondContact O-CA 3.38Å; D45-P80 HydrophobicContact CB-CB 4.27Å; L67-P80 HydrophobicContact CD2-CB 4.19Å; L67-P80 HydrophobicContact CD2-CG 3.69Å; P80-A82 PolarHBondContact O-N 2.9Å; P80-Q83 HydrophobicContact CB-CG 4.32Å; P80-Q83 HydrophobicContact CG-CG 4.47Å; P80-Q83 WeakPolarHBondContact O-CB 3.32Å; P80-Q83 PolarHBondContact O-N 3.37Å |
| 81 | L | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -58 | -34.2 | 179.9 | -178.5 | 57.7 | 0 | 0 | 0 | 112.9 | I10 F42 A43 P44 R79 Q83 A84 E119 L120 L123 | I10-L81 HydrophobicContact CD1-CD1 3.68Å; I10-L81 HydrophobicContact CG2-CD1 4.49Å; I10-L81 HydrophobicContact CG2-CD2 4.43Å; F42-L81 HydrophobicContact CB-CD1 3.98Å; A43-L81 PolarHBondContact O-N 2.78Å; P44-L81 HydrophobicContact CB-CB 4.41Å; P44-L81 HydrophobicContact CB-CD2 4.42Å; R79-L81 PolarHBondContact O-N 3.35Å; L81-Q83 PolarHBondContact O-N 2.92Å; L81-A84 HydrophobicContact CD1-CB 4.17Å; L81-A84 VanDerWaalsContact O-CB 3.25Å; L81-A84 WeakPolarHBondContact O-CB 3.21Å; L81-A84 PolarHBondContact O-N 3.03Å; L81-E119 HydrophobicContact CB-CB 4.5Å; L81-E119 WeakPolarHBondContact CB-OE2 3.45Å; L81-E119 HydrophobicContact CD2-CB 3.82Å; L81-E119 HydrophobicContact CG-CB 3.76Å; L81-L120 HydrophobicContact CD2-CB 4.01Å; L81-L123 HydrophobicContact CD1-CD2 3.98Å |
| 82 | A | 98.6 | Very high | 98.7 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -52.4 | -20.8 | 170 | 0 | 0 | 0 | 0 | 0 | 115.3 | P80 E119 | P80-A82 PolarHBondContact O-N 2.9Å; A82-E119 WeakPolarHBondContact CB-OE1 3.35Å; A82-E119 PolarHBondContact N-OE2 3.23Å |
| 83 | Q | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -95.5 | 2.4 | 178.5 | -58.8 | -179.7 | 9.3 | 0 | 0 | 113.2 | R79 P80 L81 | R79-Q83 HydrophobicContact CB-CB 4.47Å; P80-Q83 HydrophobicContact CB-CG 4.32Å; P80-Q83 HydrophobicContact CG-CG 4.47Å; P80-Q83 WeakPolarHBondContact O-CB 3.32Å; P80-Q83 PolarHBondContact O-N 3.37Å; L81-Q83 PolarHBondContact O-N 2.92Å |
| 84 | A | 98.6 | Very high | 98.7 | Very high | 23 Ų | 23 | 52.5 Ų | 52.5 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | trans | -73.4 | 130.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F42 L81 L123 | F42-A84 HydrophobicContact CD1-CB 3.8Å; F42-A84 HydrophobicContact CD2-CB 4.15Å; F42-A84 VanDerWaalsContact CE1-CA 3.44Å; F42-A84 HydrophobicContact CE1-CB 3.62Å; F42-A84 HydrophobicContact CE2-CB 3.98Å; F42-A84 HydrophobicContact CG-CB 4.05Å; F42-A84 HydrophobicContact CZ-CB 3.69Å; L81-A84 HydrophobicContact CD1-CB 4.17Å; L81-A84 VanDerWaalsContact O-CB 3.25Å; L81-A84 WeakPolarHBondContact O-CB 3.21Å; L81-A84 PolarHBondContact O-N 3.03Å; A84-L123 HydrophobicContact CB-CD1 4.07Å; A84-L123 HydrophobicContact CB-CD2 3.77Å | ||
| 85 | D | 98.6 | Very high | 98.7 | Very high | 81 Ų | 81 | 52 Ų | 52 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | trans | -118.1 | 117.9 | 174 | -176.1 | -6.1 | 0 | 0 | 0 | 109.2 | A87 E88 | D85-A87 PolarHBondContact O-N 3.34Å; D85-A87 VanDerWaalsContact O-N 3.16Å; D85-A87 VanDerWaalsContact OD1-CB 3.31Å; D85-A87 WeakPolarHBondContact OD1-CB 3.29Å; D85-A87 PolarHBondContact OD1-N 2.97Å; D85-E88 HydrophobicContact CB-CB 4.45Å; D85-E88 HydrophobicContact CB-CG 4.06Å; D85-E88 PolarHBondContact O-N 3.31Å | ||
| 86 | A | 98.6 | Very high | 98.7 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -58.2 | -26.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E88 L123 A126 M127 K132 | A86-E88 VanDerWaalsContact C-N 3.3Å; A86-E88 PolarHBondContact O-N 3.44Å; A86-L123 HydrophobicContact CB-CD1 4.06Å; A86-A126 HydrophobicContact CB-CB 3.61Å; A86-M127 HydrophobicContact CB-CG 4.34Å; A86-M127 HydrophobicContact CB-SD 3.9Å; A86-K132 PolarHBondContact O-NZ 3.42Å |
| 87 | A | 98.2 | Very high | 98.7 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 65% | 0.653 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -69.7 | -26.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D85 | D85-A87 PolarHBondContact O-N 3.34Å; D85-A87 VanDerWaalsContact O-N 3.16Å; D85-A87 VanDerWaalsContact OD1-CB 3.31Å; D85-A87 WeakPolarHBondContact OD1-CB 3.29Å; D85-A87 PolarHBondContact OD1-N 2.97Å |
| 88 | E | 98.2 | Very high | 98.7 | Very high | 91 Ų | 91 | 36.2 Ų | 36.2 | 43% | 0.425 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -88.9 | -5.1 | -179.1 | -63.8 | -167.5 | 157.7 | 0 | 0 | 114.2 | K6 R79 D85 A86 | K6-E88 WeakPolarHBondContact CD-O 3.37Å; R79-E88 IonicContact NH1-OE2 2.71Å; D85-E88 HydrophobicContact CB-CB 4.45Å; D85-E88 HydrophobicContact CB-CG 4.06Å; D85-E88 PolarHBondContact O-N 3.31Å; A86-E88 VanDerWaalsContact C-N 3.3Å; A86-E88 PolarHBondContact O-N 3.44Å |
| 89 | L | 98.6 | Very high | 98.7 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | trans | -113.3 | 147.7 | -175.6 | -57.8 | 176.5 | 0 | 0 | 0 | 110.7 | K6 V40 F42 L123 M127 K132 | K6-L89 HydrophobicContact CB-CD2 4.4Å; V40-L89 HydrophobicContact CB-CD2 3.91Å; V40-L89 HydrophobicContact CG1-CD2 4.15Å; V40-L89 HydrophobicContact CG2-CD2 4.18Å; F42-L89 HydrophobicContact CE2-CD1 4.16Å; F42-L89 HydrophobicContact CE2-CD2 4.34Å; L89-L123 HydrophobicContact CD1-CD1 4.43Å; L89-M127 HydrophobicContact CB-CE 4.01Å; L89-M127 HydrophobicContact CB-SD 4.15Å; L89-K132 VanDerWaalsContact O-CD 3.26Å; L89-K132 WeakPolarHBondContact O-CD 3.46Å; L89-K132 VanDerWaalsContact O-CE 3.31Å; L89-K132 WeakPolarHBondContact O-CE 3.5Å; L89-K132 PolarHBondContact O-NZ 3.29Å | ||
| 90 | D | 98.6 | Very high | 98.7 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 24% | 0.235 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -98.4 | -24.6 | 173.4 | -62.7 | -80 | 0 | 0 | 0 | 111.9 | K5 K6 P133 A219 | K5-D90 VanDerWaalsContact CA-OD2 3.27Å; K5-D90 WeakPolarHBondContact CA-OD2 3.23Å; K5-D90 HydrophobicContact CB-CB 4.3Å; K5-D90 HydrophobicContact CD-CB 3.86Å; K6-D90 PolarHBondContact N-OD2 3.32Å; K6-D90 PolarHBondContact O-N 3.46Å; D90-P133 WeakPolarHBondContact O-CD 3.15Å; D90-A219 HydrophobicContact CB-CB 4.48Å |
| 91 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 167.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K6 I7 G8 M127 P133 V215 A219 | K6-A91 PolarHBondContact O-N 3.03Å; I7-A91 HydrophobicContact CD1-CB 3.79Å; I7-A91 HydrophobicContact CG2-CB 4.36Å; G8-A91 PolarHBondContact N-O 3.48Å; A91-M127 VanDerWaalsContact CA-CE 3.4Å; A91-P133 WeakPolarHBondContact CA-O 3.25Å; A91-P133 HydrophobicContact CB-CG 3.84Å; A91-V215 HydrophobicContact CB-CG1 3.51Å; A91-A219 HydrophobicContact CB-CB 4.32Å |
| 92 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.4 | 175.7 | -171.3 | 68.4 | 0 | 0 | 0 | 110.3 | G8 I10 L120 L123 A124 M127 P133 L134 G135 | G8-L92 CarbonylContact O-C 3.58Å; G8-L92 WeakPolarHBondContact O-CA 3.07Å; I10-L92 HydrophobicContact CD1-CD1 3.68Å; I10-L92 HydrophobicContact CG1-CD1 3.62Å; I10-L92 HydrophobicContact CG1-CD2 4.47Å; I10-L92 HydrophobicContact CG1-CG 4.23Å; L92-L120 HydrophobicContact CD2-CD1 4.5Å; L92-L123 HydrophobicContact CD1-CD2 3.81Å; L92-L123 HydrophobicContact CD2-CD2 4.13Å; L92-L123 HydrophobicContact CD2-CG 4.2Å; L92-A124 HydrophobicContact CD2-CB 4.36Å; L92-M127 HydrophobicContact CB-CE 4.19Å; L92-M127 HydrophobicContact CB-CG 4.39Å; L92-P133 PolarHBondContact N-O 3.14Å; L92-P133 VanDerWaalsContact N-O 3.11Å; L92-L134 HydrophobicContact CB-CD2 3.64Å; L92-L134 HydrophobicContact CD2-CD2 4.03Å; L92-L134 HydrophobicContact CG-CD2 4.41Å; L92-L134 CarbonylContact O-C 3.6Å; L92-L134 WeakPolarHBondContact O-CA 3.29Å; L92-G135 PolarHBondContact O-N 2.86Å |
| 93 | I | 99 | Very high | 98.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.8 | 174.3 | -59.2 | -177.5 | 0 | 0 | 0 | 110.2 | I7 G8 V9 I10 T28 I32 G135 M137 L211 V212 V215 | I7-I93 HydrophobicContact CG2-CD1 3.87Å; I7-I93 HydrophobicContact CG2-CG1 3.94Å; G8-I93 PolarHBondContact O-N 3.16Å; V9-I93 WeakPolarHBondContact CA-O 3.33Å; I10-I93 PolarHBondContact N-O 2.79Å; T28-I93 HydrophobicContact CG2-CB 4.32Å; T28-I93 HydrophobicContact CG2-CD1 4.32Å; T28-I93 HydrophobicContact CG2-CG2 3.72Å; I32-I93 HydrophobicContact CD1-CD1 4.43Å; I93-G135 CarbonylContact C-O 3.57Å; I93-G135 WeakPolarHBondContact CA-O 3.5Å; I93-M137 HydrophobicContact CG2-CE 3.65Å; I93-L211 HydrophobicContact CD1-CD2 4.14Å; I93-L211 HydrophobicContact CG2-CD2 4.3Å; I93-V212 HydrophobicContact CD1-CG2 3.93Å; I93-V215 HydrophobicContact CD1-CB 4.45Å; I93-V215 HydrophobicContact CD1-CG1 4.2Å; I93-V215 HydrophobicContact CG1-CG1 4.26Å |
| 94 | V | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 99.8 | 178.2 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | I10 L104 L120 G135 F136 M137 A140 M143 | I10-V94 HydrophobicContact CB-CG1 4.46Å; I10-V94 HydrophobicContact CB-CG2 4.1Å; I10-V94 HydrophobicContact CG1-CG2 4.15Å; V94-L104 HydrophobicContact CG1-CD1 3.77Å; V94-L120 HydrophobicContact CG2-CD1 4.37Å; V94-G135 PolarHBondContact N-O 3.49Å; V94-F136 HydrophobicContact CB-CD1 3.79Å; V94-F136 HydrophobicContact CB-CE1 3.8Å; V94-F136 HydrophobicContact CB-CG 4.18Å; V94-F136 HydrophobicContact CB-CZ 4.18Å; V94-F136 HydrophobicContact CG1-CD1 4.32Å; V94-F136 HydrophobicContact CG1-CE1 4.22Å; V94-F136 HydrophobicContact CG2-CD1 4.04Å; V94-F136 HydrophobicContact CG2-CD2 4.36Å; V94-F136 HydrophobicContact CG2-CE1 3.56Å; V94-F136 HydrophobicContact CG2-CE2 3.89Å; V94-F136 HydrophobicContact CG2-CG 4.41Å; V94-F136 HydrophobicContact CG2-CZ 3.47Å; V94-F136 VanDerWaalsContact CG2-CZ 3.47Å; V94-M137 PolarHBondContact O-N 3.24Å; V94-A140 HydrophobicContact CB-CB 4.45Å; V94-A140 HydrophobicContact CG1-CB 4.08Å; V94-M143 HydrophobicContact CG1-CE 4.06Å |
| 95 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -57.2 | 156.6 | 168.5 | -24.7 | 35.9 | 0 | 0 | 0 | 112.2 | V9 I10 L11 E24 A25 M137 | V9-P95 HydrophobicContact CG1-CG 4.12Å; I10-P95 WeakPolarHBondContact O-CD 3.42Å; L11-P95 HydrophobicContact CD2-CG 4.15Å; E24-P95 HydrophobicContact CB-CB 4.28Å; A25-P95 HydrophobicContact CB-CB 4.35Å; A25-P95 HydrophobicContact CB-CG 4.29Å; P95-M137 HydrophobicContact CB-SD 4.34Å | ||
| 96 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -82.7 | -143.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | S20 E21 E24 | S20-G96 WeakPolarHBondContact CA-O 3.34Å; E21-G96 PolarHBondContact N-O 3.17Å; E24-G96 WeakPolarHBondContact OE2-CA 3.49Å; E24-G96 PolarHBondContact OE2-N 3.1Å | ||
| 97 | G | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 89.9 | 156.3 | -162.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G19 G99 A100 | G19-G97 CarbonylContact O-C 2.85Å; G97-G99 PolarHBondContact O-N 2.9Å; G97-G99 VanDerWaalsContact O-N 3.14Å; G97-A100 VanDerWaalsContact O-CB 3.28Å; G97-A100 WeakPolarHBondContact O-CB 3.23Å; G97-A100 PolarHBondContact O-N 3.06Å |
| 98 | F | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 20.4 Ų | 20.4 | 45% | 0.452 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -63 | -22 | -178.5 | -79.9 | -115.6 | 0 | 0 | 0 | 111.8 | V16 Y17 A100 A101 K102 | V16-F98 HydrophobicContact CG2-CD2 4.46Å; V16-F98 VanDerWaalsContact O-CB 3.28Å; V16-F98 WeakPolarHBondContact O-CB 3.43Å; V16-F98 WeakPolarHBondContact O-CD2 3.44Å; V16-F98 PolarHBondContact O-N 3.29Å; Y17-F98 WeakPolarHBondContact O-CB 3.48Å; F98-A100 PolarHBondContact O-N 3.05Å; F98-A101 CarbonylContact O-C 3.52Å; F98-A101 WeakPolarHBondContact O-CA 3.4Å; F98-A101 PolarHBondContact O-N 2.78Å; F98-K102 HydrophobicContact CB-CD 4.19Å; F98-K102 WeakPolarHBondContact O-CB 3.2Å; F98-K102 VanDerWaalsContact O-CG 3.3Å; F98-K102 WeakPolarHBondContact O-CG 3.33Å; F98-K102 PolarHBondContact O-N 2.79Å |
| 99 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.2 | -26.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S12 G19 G97 A101 K102 N103 L104 | S12-G99 VanDerWaalsContact CB-C 3.47Å; S12-G99 WeakPolarHBondContact CB-O 3.43Å; S12-G99 VanDerWaalsContact OG-CA 3.29Å; S12-G99 WeakPolarHBondContact OG-CA 3.27Å; G19-G99 VanDerWaalsContact O-CA 3.31Å; G19-G99 WeakPolarHBondContact O-CA 3.24Å; G19-G99 PolarHBondContact O-N 2.77Å; G97-G99 PolarHBondContact O-N 2.9Å; G97-G99 VanDerWaalsContact O-N 3.14Å; G99-A101 VanDerWaalsContact C-N 3.35Å; G99-K102 PolarHBondContact O-N 2.84Å; G99-N103 CarbonylContact O-C 3.54Å; G99-N103 WeakPolarHBondContact O-CA 3.29Å; G99-N103 WeakPolarHBondContact O-CB 3.24Å; G99-N103 PolarHBondContact O-N 3.12Å; G99-L104 PolarHBondContact O-N 3.31Å |
| 100 | A | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S12 G97 F98 S105 I139 A140 M143 | S12-A100 PolarHBondContact OG-N 3.08Å; G97-A100 VanDerWaalsContact O-CB 3.28Å; G97-A100 WeakPolarHBondContact O-CB 3.23Å; G97-A100 PolarHBondContact O-N 3.06Å; F98-A100 PolarHBondContact O-N 3.05Å; A100-S105 PolarHBondContact O-N 2.98Å; A100-S105 VanDerWaalsContact O-N 3.16Å; A100-S105 PolarHBondContact O-OG 2.87Å; A100-I139 HydrophobicContact CB-CG2 4.23Å; A100-A140 HydrophobicContact CB-CB 4.1Å; A100-M143 HydrophobicContact CB-CE 4.15Å |
| 101 | A | 98.7 | Very high | 98.7 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -87.6 | -10 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F98 G99 S105 N106 F107 A108 I139 | F98-A101 CarbonylContact O-C 3.52Å; F98-A101 WeakPolarHBondContact O-CA 3.4Å; F98-A101 PolarHBondContact O-N 2.78Å; G99-A101 VanDerWaalsContact C-N 3.35Å; A101-S105 CarbonylContact C-O 3.59Å; A101-S105 VanDerWaalsContact C-O 3.27Å; A101-S105 WeakPolarHBondContact CA-OG 3.13Å; A101-S105 CarbonylContact O-C 3.57Å; A101-S105 VanDerWaalsContact O-O 3.13Å; A101-N106 CarbonylContact O-C 3.59Å; A101-N106 VanDerWaalsContact O-C 3.26Å; A101-N106 WeakPolarHBondContact O-CA 3.48Å; A101-F107 HydrophobicContact CB-CB 4.19Å; A101-F107 HydrophobicContact CB-CD1 4.29Å; A101-F107 PolarHBondContact O-N 3.45Å; A101-A108 HydrophobicContact CB-CB 3.88Å; A101-A108 WeakPolarHBondContact O-CB 3.41Å; A101-A108 PolarHBondContact O-N 2.91Å; A101-I139 HydrophobicContact CB-CG1 4.38Å; A101-I139 HydrophobicContact CB-CG2 4.29Å |
| 102 | K | 98.8 | Very high | 98.6 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -117.7 | -41.5 | -174.6 | -74.5 | -176.8 | 177.4 | -174.9 | 0 | 114.6 | Y17 V49 D50 F98 G99 S105 A108 | Y17-K102 PolarHBondContact O-NZ 3.5Å; V49-K102 VanDerWaalsContact CG1-O 3.3Å; V49-K102 WeakPolarHBondContact CG1-O 3.5Å; V49-K102 HydrophobicContact CG2-CB 3.67Å; V49-K102 HydrophobicContact CG2-CD 4.14Å; V49-K102 HydrophobicContact CG2-CG 4.19Å; D50-K102 IonicContact OD1-NZ 3.95Å; D50-K102 PolarHBondContact OD1-NZ 2.74Å; D50-K102 IonicContact OD2-NZ 2.74Å; D50-K102 PolarHBondContact OD2-NZ 3.23Å; F98-K102 HydrophobicContact CB-CD 4.19Å; F98-K102 WeakPolarHBondContact O-CB 3.2Å; F98-K102 VanDerWaalsContact O-CG 3.3Å; F98-K102 WeakPolarHBondContact O-CG 3.33Å; F98-K102 PolarHBondContact O-N 2.79Å; G99-K102 PolarHBondContact O-N 2.84Å; K102-S105 CarbonylContact C-O 3.59Å; K102-S105 WeakPolarHBondContact CA-O 3.33Å; K102-S105 PolarHBondContact N-O 3.47Å; K102-A108 HydrophobicContact CG-CB 3.85Å |
| 103 | N | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -36.6 | -174.7 | -57.8 | -39 | 0 | 0 | 0 | 112.2 | S12 D18 K46 V49 V66 G99 S105 | S12-N103 PolarHBondContact O-ND2 3.1Å; D18-N103 PolarHBondContact O-ND2 3.29Å; K46-N103 WeakPolarHBondContact CE-O 3.24Å; K46-N103 PolarHBondContact NZ-O 2.95Å; V49-N103 PolarHBondContact N-OD1 3.4Å; V49-N103 VanDerWaalsContact N-OD1 3.12Å; V66-N103 HydrophobicContact CG2-CB 4.01Å; G99-N103 CarbonylContact O-C 3.54Å; G99-N103 WeakPolarHBondContact O-CA 3.29Å; G99-N103 WeakPolarHBondContact O-CB 3.24Å; G99-N103 PolarHBondContact O-N 3.12Å; N103-S105 PolarHBondContact N-O 2.6Å |
| 104 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -86.7 | -18.5 | 174.3 | -56.9 | -177.9 | 0 | 0 | 0 | 112.8 | I10 P44 V94 G99 D117 L120 M143 | I10-L104 HydrophobicContact CG2-CD1 4.14Å; I10-L104 HydrophobicContact CG2-CD2 4.13Å; P44-L104 HydrophobicContact CG-CD2 3.93Å; V94-L104 HydrophobicContact CG1-CD1 3.77Å; G99-L104 PolarHBondContact O-N 3.31Å; L104-D117 WeakPolarHBondContact O-CB 3.4Å; L104-D117 PolarHBondContact O-N 2.71Å; L104-L120 HydrophobicContact CB-CD2 3.9Å; L104-L120 HydrophobicContact CD1-CD2 4.18Å; L104-L120 HydrophobicContact CG-CD2 4.41Å; L104-M143 HydrophobicContact CB-CE 4.19Å; L104-M143 HydrophobicContact CB-SD 3.69Å; L104-M143 HydrophobicContact CD1-CE 4.3Å |
| 105 | S | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -150.5 | -178.9 | 169.2 | 67.6 | 0 | 0 | 0 | 0 | 108.3 | A100 A101 K102 N103 F107 T115 | A100-S105 PolarHBondContact O-N 2.98Å; A100-S105 VanDerWaalsContact O-N 3.16Å; A100-S105 PolarHBondContact O-OG 2.87Å; A101-S105 CarbonylContact C-O 3.59Å; A101-S105 VanDerWaalsContact C-O 3.27Å; A101-S105 WeakPolarHBondContact CA-OG 3.13Å; A101-S105 CarbonylContact O-C 3.57Å; A101-S105 VanDerWaalsContact O-O 3.13Å; K102-S105 CarbonylContact C-O 3.59Å; K102-S105 WeakPolarHBondContact CA-O 3.33Å; K102-S105 PolarHBondContact N-O 3.47Å; N103-S105 PolarHBondContact N-O 2.6Å; S105-F107 PolarHBondContact OG-N 3.18Å; S105-T115 VanDerWaalsContact CA-O 3.23Å; S105-T115 WeakPolarHBondContact CA-O 3.09Å; S105-T115 WeakPolarHBondContact CB-O 3.37Å |
| 106 | N | 98.6 | Very high | 98.5 | Very high | 47 Ų | 47 | 36 Ų | 36 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | trans | -115.2 | 27.1 | 169.6 | 54.2 | 8.3 | 0 | 0 | 0 | 112.1 | A101 A108 S109 L110 C114 T115 | A101-N106 CarbonylContact O-C 3.59Å; A101-N106 VanDerWaalsContact O-C 3.26Å; A101-N106 WeakPolarHBondContact O-CA 3.48Å; N106-A108 PolarHBondContact O-N 2.95Å; N106-S109 PolarHBondContact O-N 2.87Å; N106-S109 PolarHBondContact O-OG 3.42Å; N106-L110 VanDerWaalsContact ND2-CD1 3.34Å; N106-L110 WeakPolarHBondContact ND2-CD1 3.25Å; N106-L110 PolarHBondContact O-N 2.9Å; N106-C114 VanDerWaalsContact OD1-CA 3.29Å; N106-C114 WeakPolarHBondContact OD1-CA 3.4Å; N106-C114 VanDerWaalsContact OD1-CB 3.32Å; N106-C114 WeakPolarHBondContact OD1-CB 3.27Å; N106-T115 PolarHBondContact N-O 2.66Å; N106-T115 PolarHBondContact ND2-OG1 2.91Å; N106-T115 PolarHBondContact OD1-N 3.32Å; N106-T115 PolarHBondContact OD1-O 3.22Å; N106-T115 PolarHBondContact OD1-OG1 3Å | ||
| 107 | F | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 10% | 0.096 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.1 | -39 | 178.7 | -177.9 | -96.2 | 0 | 0 | 0 | 112.9 | A101 S105 S109 L110 G111 C114 I139 A142 V165 L166 M169 | A101-F107 HydrophobicContact CB-CB 4.19Å; A101-F107 HydrophobicContact CB-CD1 4.29Å; A101-F107 PolarHBondContact O-N 3.45Å; S105-F107 PolarHBondContact OG-N 3.18Å; F107-S109 PolarHBondContact O-N 2.91Å; F107-L110 PolarHBondContact O-N 3.46Å; F107-G111 WeakPolarHBondContact CD2-O 3.45Å; F107-G111 WeakPolarHBondContact O-CA 3.25Å; F107-G111 PolarHBondContact O-N 2.99Å; F107-C114 HydrophobicContact CB-CB 4.1Å; F107-C114 HydrophobicContact CD2-CB 4.45Å; F107-I139 HydrophobicContact CD1-CD1 4.49Å; F107-I139 HydrophobicContact CD1-CG1 4.4Å; F107-I139 HydrophobicContact CE1-CD1 4.02Å; F107-I139 HydrophobicContact CE1-CG1 4.42Å; F107-A142 HydrophobicContact CD1-CB 4.01Å; F107-A142 HydrophobicContact CD2-CB 3.93Å; F107-A142 HydrophobicContact CE1-CB 3.95Å; F107-A142 HydrophobicContact CE2-CB 3.86Å; F107-A142 HydrophobicContact CG-CB 4Å; F107-A142 HydrophobicContact CZ-CB 3.88Å; F107-V165 HydrophobicContact CE2-CG1 3.7Å; F107-V165 HydrophobicContact CZ-CG1 3.85Å; F107-L166 HydrophobicContact CE2-CD2 4.21Å; F107-L166 HydrophobicContact CZ-CD2 4.32Å; F107-M169 HydrophobicContact CD2-CE 4.39Å; F107-M169 HydrophobicContact CD2-SD 4.45Å; F107-M169 HydrophobicContact CE2-CE 4.39Å; F107-M169 HydrophobicContact CE2-SD 3.91Å |
| 108 | A | 97.9 | Very high | 98.5 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.6 | -22.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A101 K102 N106 | A101-A108 HydrophobicContact CB-CB 3.88Å; A101-A108 WeakPolarHBondContact O-CB 3.41Å; A101-A108 PolarHBondContact O-N 2.91Å; K102-A108 HydrophobicContact CG-CB 3.85Å; N106-A108 PolarHBondContact O-N 2.95Å |
| 109 | S | 97.7 | Very high | 98.5 | Very high | 93 Ų | 93 | 46.6 Ų | 46.6 | 65% | 0.65 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -113.3 | -25.9 | -178.8 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | N106 F107 | N106-S109 PolarHBondContact O-N 2.87Å; N106-S109 PolarHBondContact O-OG 3.42Å; F107-S109 PolarHBondContact O-N 2.91Å |
| 110 | L | 98.4 | Very high | 98.5 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 45% | 0.445 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -117.2 | -7.1 | -172.4 | -62 | -173.7 | 0 | 0 | 0 | 114.3 | N106 F107 S112 E113 C114 | N106-L110 VanDerWaalsContact ND2-CD1 3.34Å; N106-L110 WeakPolarHBondContact ND2-CD1 3.25Å; N106-L110 PolarHBondContact O-N 2.9Å; F107-L110 PolarHBondContact O-N 3.46Å; L110-S112 PolarHBondContact O-N 3.43Å; L110-E113 PolarHBondContact O-N 3.23Å; L110-C114 HydrophobicContact CB-CB 4.14Å |
| 111 | G | 98.1 | Very high | 98.5 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | 52 | -125.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F107 E113 C114 | F107-G111 WeakPolarHBondContact CD2-O 3.45Å; F107-G111 WeakPolarHBondContact O-CA 3.25Å; F107-G111 PolarHBondContact O-N 2.99Å; G111-E113 PolarHBondContact O-N 3.19Å; G111-C114 WeakPolarHBondContact O-CB 3.23Å; G111-C114 PolarHBondContact O-N 3.31Å; G111-C114 VanDerWaalsContact O-N 3.1Å; G111-C114 PolarHBondContact O-SG 2.77Å |
| 112 | S | 97.7 | Very high | 98.6 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -64.2 | -15.3 | 179.2 | 47.7 | 0 | 0 | 0 | 0 | 114.5 | L110 K146 E168 | L110-S112 PolarHBondContact O-N 3.43Å; S112-K146 WeakPolarHBondContact O-CE 3.38Å; S112-K146 PolarHBondContact O-NZ 2.88Å; S112-E168 VanDerWaalsContact CB-OE2 3.25Å; S112-E168 WeakPolarHBondContact CB-OE2 3.39Å; S112-E168 PolarHBondContact OG-OE2 3.14Å |
| 113 | E | 98.3 | Very high | 98.6 | Very high | 145 Ų | 145 | 51.3 Ų | 51.3 | 68% | 0.678 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -94.5 | 10.2 | 175.6 | -66.1 | -59.2 | 113 | 0 | 0 | 113.3 | L110 G111 | L110-E113 PolarHBondContact O-N 3.23Å; G111-E113 PolarHBondContact O-N 3.19Å |
| 114 | C | 98.5 | Very high | 98.6 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | trans | -67.4 | 161.7 | -177.2 | 83.4 | 0 | 0 | 0 | 0 | 113.6 | N106 F107 L110 G111 | N106-C114 VanDerWaalsContact OD1-CA 3.29Å; N106-C114 WeakPolarHBondContact OD1-CA 3.4Å; N106-C114 VanDerWaalsContact OD1-CB 3.32Å; N106-C114 WeakPolarHBondContact OD1-CB 3.27Å; F107-C114 HydrophobicContact CB-CB 4.1Å; F107-C114 HydrophobicContact CD2-CB 4.45Å; L110-C114 HydrophobicContact CB-CB 4.14Å; G111-C114 WeakPolarHBondContact O-CB 3.23Å; G111-C114 PolarHBondContact O-N 3.31Å; G111-C114 VanDerWaalsContact O-N 3.1Å; G111-C114 PolarHBondContact O-SG 2.77Å | ||
| 115 | T | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 53% | 0.534 | 30% | 0.295 | S | S | . | . | trans | -121.6 | 146.7 | 170.8 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | S105 N106 | S105-T115 VanDerWaalsContact CA-O 3.23Å; S105-T115 WeakPolarHBondContact CA-O 3.09Å; S105-T115 WeakPolarHBondContact CB-O 3.37Å; N106-T115 PolarHBondContact N-O 2.66Å; N106-T115 PolarHBondContact ND2-OG1 2.91Å; N106-T115 PolarHBondContact OD1-N 3.32Å; N106-T115 PolarHBondContact OD1-O 3.22Å; N106-T115 PolarHBondContact OD1-OG1 3Å | ||
| 116 | V | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 56.4 Ų | 56.4 | 9% | 0.085 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -96.9 | 148.3 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | R118 L120 K121 M143 K146 I147 | V116-R118 PolarHBondContact O-N 2.67Å; V116-L120 HydrophobicContact CG1-CB 4.4Å; V116-L120 HydrophobicContact CG1-CD2 4.04Å; V116-L120 HydrophobicContact CG1-CG 4.25Å; V116-K121 HydrophobicContact CG1-CB 4.41Å; V116-M143 HydrophobicContact CG1-CB 4.49Å; V116-M143 HydrophobicContact CG1-SD 4.14Å; V116-M143 HydrophobicContact CG2-CB 3.77Å; V116-M143 HydrophobicContact CG2-CG 4.01Å; V116-K146 HydrophobicContact CG2-CB 3.75Å; V116-I147 HydrophobicContact CB-CG1 4.33Å; V116-I147 HydrophobicContact CG1-CD1 4.23Å; V116-I147 HydrophobicContact CG1-CG1 4Å; V116-I147 HydrophobicContact CG2-CG1 4.14Å |
| 117 | D | 98.8 | Very high | 98.6 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | trans | -48.8 | 131.3 | 170.6 | -175.5 | -77.4 | 0 | 0 | 0 | 110.4 | K46 L104 E119 L120 K121 | K46-D117 IonicContact NZ-OD2 2.8Å; K46-D117 PolarHBondContact NZ-OD2 2.7Å; L104-D117 WeakPolarHBondContact O-CB 3.4Å; L104-D117 PolarHBondContact O-N 2.71Å; D117-E119 VanDerWaalsContact C-N 3.32Å; D117-E119 PolarHBondContact O-N 2.92Å; D117-E119 WeakPolarHBondContact OD1-CB 3.34Å; D117-E119 PolarHBondContact OD1-N 2.97Å; D117-L120 HydrophobicContact CB-CB 4.19Å; D117-L120 PolarHBondContact O-N 3.03Å; D117-L120 PolarHBondContact OD1-N 3.02Å; D117-K121 WeakPolarHBondContact O-CB 3.25Å; D117-K121 PolarHBondContact O-N 3.03Å | ||
| 118 | R | 98.7 | Very high | 98.6 | Very high | 221 Ų | 221 | 54.9 Ų | 54.9 | 83% | 0.834 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.7 | -33.7 | -170.7 | -65.7 | -175.8 | -63.7 | 174.2 | 1 | 112.6 | V116 A122 | V116-R118 PolarHBondContact O-N 2.67Å; R118-A122 WeakPolarHBondContact O-CB 3.44Å; R118-A122 PolarHBondContact O-N 3.25Å |
| 119 | E | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 59.7 Ų | 59.7 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.4 | -42.3 | 179.7 | -58.2 | 178.2 | 165.5 | 0 | 0 | 109.9 | L81 A82 D117 A122 L123 | L81-E119 HydrophobicContact CB-CB 4.5Å; L81-E119 WeakPolarHBondContact CB-OE2 3.45Å; L81-E119 HydrophobicContact CD2-CB 3.82Å; L81-E119 HydrophobicContact CG-CB 3.76Å; A82-E119 WeakPolarHBondContact CB-OE1 3.35Å; A82-E119 PolarHBondContact N-OE2 3.23Å; D117-E119 VanDerWaalsContact C-N 3.32Å; D117-E119 PolarHBondContact O-N 2.92Å; D117-E119 WeakPolarHBondContact OD1-CB 3.34Å; D117-E119 PolarHBondContact OD1-N 2.97Å; E119-A122 PolarHBondContact O-N 3.16Å; E119-L123 WeakPolarHBondContact O-CB 3.29Å; E119-L123 PolarHBondContact O-N 2.94Å |
| 120 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 173.9 | 176.8 | 57.3 | 0 | 0 | 0 | 111.4 | I10 L81 L92 V94 L104 V116 D117 A122 L123 A124 M143 | I10-L120 HydrophobicContact CG1-CD1 4.07Å; I10-L120 HydrophobicContact CG2-CD1 4.27Å; L81-L120 HydrophobicContact CD2-CB 4.01Å; L92-L120 HydrophobicContact CD2-CD1 4.5Å; V94-L120 HydrophobicContact CG2-CD1 4.37Å; L104-L120 HydrophobicContact CB-CD2 3.9Å; L104-L120 HydrophobicContact CD1-CD2 4.18Å; L104-L120 HydrophobicContact CG-CD2 4.41Å; V116-L120 HydrophobicContact CG1-CB 4.4Å; V116-L120 HydrophobicContact CG1-CD2 4.04Å; V116-L120 HydrophobicContact CG1-CG 4.25Å; D117-L120 HydrophobicContact CB-CB 4.19Å; D117-L120 PolarHBondContact O-N 3.03Å; D117-L120 PolarHBondContact OD1-N 3.02Å; L120-A122 PolarHBondContact O-N 2.96Å; L120-L123 PolarHBondContact O-N 3.38Å; L120-A124 WeakPolarHBondContact O-CB 3.27Å; L120-A124 PolarHBondContact O-N 3.01Å; L120-M143 HydrophobicContact CD2-CE 4.17Å; L120-M143 HydrophobicContact CD2-SD 3.87Å |
| 121 | K | 98.9 | Very high | 98.6 | Very high | 78 Ų | 78 | 56 Ų | 56 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.5 | -48 | 178.7 | -179.7 | 166.9 | 178.2 | 159 | 0 | 111.2 | V116 D117 Q125 K146 I147 | V116-K121 HydrophobicContact CG1-CB 4.41Å; D117-K121 WeakPolarHBondContact O-CB 3.25Å; D117-K121 PolarHBondContact O-N 3.03Å; K121-Q125 WeakPolarHBondContact O-CB 3.32Å; K121-Q125 VanDerWaalsContact O-CG 3.24Å; K121-Q125 WeakPolarHBondContact O-CG 3.4Å; K121-Q125 PolarHBondContact O-N 3.38Å; K121-K146 WeakPolarHBondContact CE-O 3.39Å; K121-K146 PolarHBondContact NZ-O 3.23Å; K121-I147 HydrophobicContact CG-CG2 4.4Å |
| 122 | A | 98.8 | Very high | 98.6 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R118 E119 L120 A126 | R118-A122 WeakPolarHBondContact O-CB 3.44Å; R118-A122 PolarHBondContact O-N 3.25Å; E119-A122 PolarHBondContact O-N 3.16Å; L120-A122 PolarHBondContact O-N 2.96Å; A122-A126 WeakPolarHBondContact O-CB 3.2Å; A122-A126 PolarHBondContact O-N 2.81Å |
| 123 | L | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.9 | -50 | 178.2 | -178.7 | 64.8 | 0 | 0 | 0 | 111.7 | I10 L81 A84 A86 L89 L92 E119 L120 Q125 A126 M127 | I10-L123 HydrophobicContact CD1-CD2 3.96Å; L81-L123 HydrophobicContact CD1-CD2 3.98Å; A84-L123 HydrophobicContact CB-CD1 4.07Å; A84-L123 HydrophobicContact CB-CD2 3.77Å; A86-L123 HydrophobicContact CB-CD1 4.06Å; L89-L123 HydrophobicContact CD1-CD1 4.43Å; L92-L123 HydrophobicContact CD1-CD2 3.81Å; L92-L123 HydrophobicContact CD2-CD2 4.13Å; L92-L123 HydrophobicContact CD2-CG 4.2Å; E119-L123 WeakPolarHBondContact O-CB 3.29Å; E119-L123 PolarHBondContact O-N 2.94Å; L120-L123 PolarHBondContact O-N 3.38Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-Q125 PolarHBondContact O-N 3.44Å; L123-A126 PolarHBondContact O-N 2.99Å; L123-M127 VanDerWaalsContact O-CG 3.27Å; L123-M127 WeakPolarHBondContact O-CG 3.45Å; L123-M127 PolarHBondContact O-N 2.79Å |
| 124 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -40.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | L92 L120 M127 H128 L134 I147 F148 | L92-A124 HydrophobicContact CD2-CB 4.36Å; L120-A124 WeakPolarHBondContact O-CB 3.27Å; L120-A124 PolarHBondContact O-N 3.01Å; A124-M127 PolarHBondContact O-N 2.9Å; A124-H128 PolarHBondContact O-N 2.99Å; A124-L134 HydrophobicContact CB-CD1 4.37Å; A124-I147 HydrophobicContact CB-CD1 4.28Å; A124-I147 HydrophobicContact CB-CG2 3.82Å; A124-F148 HydrophobicContact CB-CZ 4.34Å |
| 125 | Q | 98.9 | Very high | 98.8 | Very high | 76 Ų | 76 | 49.2 Ų | 49.2 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 173.8 | -73.3 | 178.5 | -20.7 | 0 | 0 | 111.9 | K121 L123 M127 H128 Q129 I147 F148 | K121-Q125 WeakPolarHBondContact O-CB 3.32Å; K121-Q125 VanDerWaalsContact O-CG 3.24Å; K121-Q125 WeakPolarHBondContact O-CG 3.4Å; K121-Q125 PolarHBondContact O-N 3.38Å; L123-Q125 VanDerWaalsContact C-N 3.33Å; L123-Q125 PolarHBondContact O-N 3.44Å; Q125-M127 VanDerWaalsContact C-N 3.33Å; Q125-M127 PolarHBondContact O-N 2.82Å; Q125-H128 PolarHBondContact O-N 3.49Å; Q125-Q129 WeakPolarHBondContact O-CB 3.4Å; Q125-Q129 VanDerWaalsContact O-CG 3.23Å; Q125-Q129 WeakPolarHBondContact O-CG 3.34Å; Q125-Q129 PolarHBondContact O-N 2.83Å; Q125-I147 HydrophobicContact CG-CG2 4.03Å; Q125-I147 PolarHBondContact NE2-O 2.95Å; Q125-F148 HydrophobicContact CG-CE1 4.19Å |
| 126 | A | 98.8 | Very high | 98.8 | Very high | 42 Ų | 42 | 45 Ų | 45 | 35% | 0.347 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A86 A122 L123 A130 | A86-A126 HydrophobicContact CB-CB 3.61Å; A122-A126 WeakPolarHBondContact O-CB 3.2Å; A122-A126 PolarHBondContact O-N 2.81Å; L123-A126 PolarHBondContact O-N 2.99Å; A126-A130 WeakPolarHBondContact O-CB 3.22Å; A126-A130 PolarHBondContact O-N 3.27Å; A126-A130 VanDerWaalsContact O-N 3.12Å |
| 127 | M | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 174.6 | -68.9 | -63.8 | -77.3 | 0 | 0 | 111.7 | A86 L89 A91 L92 L123 A124 Q125 A130 G131 K132 L134 | A86-M127 HydrophobicContact CB-CG 4.34Å; A86-M127 HydrophobicContact CB-SD 3.9Å; L89-M127 HydrophobicContact CB-CE 4.01Å; L89-M127 HydrophobicContact CB-SD 4.15Å; A91-M127 VanDerWaalsContact CA-CE 3.4Å; L92-M127 HydrophobicContact CB-CE 4.19Å; L92-M127 HydrophobicContact CB-CG 4.39Å; L123-M127 VanDerWaalsContact O-CG 3.27Å; L123-M127 WeakPolarHBondContact O-CG 3.45Å; L123-M127 PolarHBondContact O-N 2.79Å; A124-M127 PolarHBondContact O-N 2.9Å; Q125-M127 VanDerWaalsContact C-N 3.33Å; Q125-M127 PolarHBondContact O-N 2.82Å; M127-A130 CarbonylContact O-C 3.57Å; M127-A130 PolarHBondContact O-N 3.02Å; M127-A130 VanDerWaalsContact O-N 3.16Å; M127-G131 PolarHBondContact O-N 3.23Å; M127-K132 HydrophobicContact CB-CB 4.33Å; M127-K132 HydrophobicContact CE-CB 3.56Å; M127-K132 HydrophobicContact CE-CD 3.75Å; M127-K132 HydrophobicContact CE-CG 4.3Å; M127-K132 WeakPolarHBondContact O-CB 3.45Å; M127-K132 PolarHBondContact O-N 2.82Å; M127-K132 HydrophobicContact SD-CB 4.19Å; M127-K132 HydrophobicContact SD-CD 3.7Å; M127-L134 HydrophobicContact CB-CD2 3.72Å; M127-L134 HydrophobicContact CG-CD2 4.34Å |
| 128 | H | 98.7 | Very high | 98.8 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 17% | 0.171 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 176.4 | 175.4 | -96.2 | 0 | 0 | 0 | 112.1 | A124 Q125 A130 G131 F148 F150 N187 | A124-H128 PolarHBondContact O-N 2.99Å; Q125-H128 PolarHBondContact O-N 3.49Å; H128-A130 PolarHBondContact O-N 2.78Å; H128-G131 PolarHBondContact O-N 2.85Å; H128-F148 HydrophobicContact CB-CE1 3.52Å; H128-F148 HydrophobicContact CB-CZ 3.77Å; H128-F148 AromaticContact CG-CE1 3.71Å; H128-F150 AromaticContact CE1-CE1 3.98Å; H128-F150 AromaticContact CE1-CZ 3.45Å; H128-F150 VanDerWaalsContact CE1-CZ 3.45Å; H128-F150 WeakPolarHBondContact CE1-CZ 3.28Å; H128-F150 AromaticContact NE2-CZ 3.55Å; H128-N187 PolarHBondContact NE2-OD1 2.96Å |
| 129 | Q | 98.5 | Very high | 98.8 | Very high | 160 Ų | 160 | 34.2 Ų | 34.2 | 75% | 0.748 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -59.8 | -30.1 | 176.3 | -70.1 | -63.2 | -41.8 | 0 | 0 | 112.9 | Q125 G131 | Q125-Q129 WeakPolarHBondContact O-CB 3.4Å; Q125-Q129 VanDerWaalsContact O-CG 3.23Å; Q125-Q129 WeakPolarHBondContact O-CG 3.34Å; Q125-Q129 PolarHBondContact O-N 2.83Å; Q129-G131 VanDerWaalsContact C-N 3.32Å |
| 130 | A | 98.4 | Very high | 98.8 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 49% | 0.488 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 3.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A126 M127 H128 K132 | A126-A130 WeakPolarHBondContact O-CB 3.22Å; A126-A130 PolarHBondContact O-N 3.27Å; A126-A130 VanDerWaalsContact O-N 3.12Å; M127-A130 CarbonylContact O-C 3.57Å; M127-A130 PolarHBondContact O-N 3.02Å; M127-A130 VanDerWaalsContact O-N 3.16Å; H128-A130 PolarHBondContact O-N 2.78Å; A130-K132 VanDerWaalsContact C-N 3.28Å; A130-K132 HydrophobicContact CB-CD 4.06Å; A130-K132 HydrophobicContact CB-CG 4.05Å; A130-K132 PolarHBondContact O-N 2.71Å |
| 131 | G | 98.4 | Very high | 98.8 | Very high | 41 Ų | 41 | 30.5 Ų | 30.5 | 42% | 0.423 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 22.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M127 H128 Q129 K188 | M127-G131 PolarHBondContact O-N 3.23Å; H128-G131 PolarHBondContact O-N 2.85Å; Q129-G131 VanDerWaalsContact C-N 3.32Å; G131-K188 WeakPolarHBondContact O-CD 3.23Å; G131-K188 WeakPolarHBondContact O-CE 3.44Å |
| 132 | K | 98.7 | Very high | 98.8 | Very high | 44 Ų | 44 | 26.8 Ų | 26.8 | 19% | 0.191 | 17% | 0.165 | C | C | . | . | trans | -94.1 | 134.8 | -177.8 | -61.9 | 177.6 | -179.8 | -174.2 | 0 | 110.5 | A86 L89 M127 A130 | A86-K132 PolarHBondContact O-NZ 3.42Å; L89-K132 VanDerWaalsContact O-CD 3.26Å; L89-K132 WeakPolarHBondContact O-CD 3.46Å; L89-K132 VanDerWaalsContact O-CE 3.31Å; L89-K132 WeakPolarHBondContact O-CE 3.5Å; L89-K132 PolarHBondContact O-NZ 3.29Å; M127-K132 HydrophobicContact CB-CB 4.33Å; M127-K132 HydrophobicContact CE-CB 3.56Å; M127-K132 HydrophobicContact CE-CD 3.75Å; M127-K132 HydrophobicContact CE-CG 4.3Å; M127-K132 WeakPolarHBondContact O-CB 3.45Å; M127-K132 PolarHBondContact O-N 2.82Å; M127-K132 HydrophobicContact SD-CB 4.19Å; M127-K132 HydrophobicContact SD-CD 3.7Å; A130-K132 VanDerWaalsContact C-N 3.28Å; A130-K132 HydrophobicContact CB-CD 4.06Å; A130-K132 HydrophobicContact CB-CG 4.05Å; A130-K132 PolarHBondContact O-N 2.71Å | ||
| 133 | P | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | trans | -71 | 152.4 | -172.4 | 28.2 | -35.9 | 0 | 0 | 0 | 113.7 | D90 A91 L92 K188 V215 L218 A219 | D90-P133 WeakPolarHBondContact O-CD 3.15Å; A91-P133 WeakPolarHBondContact CA-O 3.25Å; A91-P133 HydrophobicContact CB-CG 3.84Å; L92-P133 PolarHBondContact N-O 3.14Å; L92-P133 VanDerWaalsContact N-O 3.11Å; P133-K188 VanDerWaalsContact CA-O 3.24Å; P133-K188 WeakPolarHBondContact CA-O 3.23Å; P133-K188 HydrophobicContact CB-CB 4.1Å; P133-K188 WeakPolarHBondContact CB-O 3.16Å; P133-V215 HydrophobicContact CB-CG1 4.33Å; P133-V215 HydrophobicContact CG-CG1 4.09Å; P133-V215 WeakPolarHBondContact CG-O 3.22Å; P133-L218 HydrophobicContact CB-CB 3.66Å; P133-L218 HydrophobicContact CB-CD1 4.25Å; P133-L218 HydrophobicContact CG-CB 3.87Å; P133-A219 HydrophobicContact CG-CB 3.7Å | ||
| 134 | L | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.6 | 178.4 | -58.9 | -178 | 0 | 0 | 0 | 110 | L92 A124 M127 F136 F148 K188 I189 V190 | L92-L134 HydrophobicContact CB-CD2 3.64Å; L92-L134 HydrophobicContact CD2-CD2 4.03Å; L92-L134 HydrophobicContact CG-CD2 4.41Å; L92-L134 CarbonylContact O-C 3.6Å; L92-L134 WeakPolarHBondContact O-CA 3.29Å; A124-L134 HydrophobicContact CB-CD1 4.37Å; M127-L134 HydrophobicContact CB-CD2 3.72Å; M127-L134 HydrophobicContact CG-CD2 4.34Å; L134-F136 HydrophobicContact CB-CD2 4.3Å; L134-F136 HydrophobicContact CB-CE2 4.05Å; L134-F148 HydrophobicContact CD1-CE2 3.72Å; L134-F148 HydrophobicContact CD1-CZ 3.56Å; L134-K188 PolarHBondContact N-O 2.99Å; L134-I189 HydrophobicContact CB-CG1 4.29Å; L134-I189 HydrophobicContact CD1-CD1 4.26Å; L134-I189 HydrophobicContact CD1-CG1 4.37Å; L134-I189 CarbonylContact O-C 3.47Å; L134-I189 WeakPolarHBondContact O-CA 3.17Å; L134-V190 PolarHBondContact O-N 3.22Å |
| 135 | G | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L92 I93 V94 V190 | L92-G135 PolarHBondContact O-N 2.86Å; I93-G135 CarbonylContact C-O 3.57Å; I93-G135 WeakPolarHBondContact CA-O 3.5Å; V94-G135 PolarHBondContact N-O 3.49Å; G135-V190 CarbonylContact C-O 3.54Å; G135-V190 WeakPolarHBondContact CA-O 3.33Å |
| 136 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.1 | 177.3 | -76.9 | -114.1 | 0 | 0 | 0 | 109.3 | V94 L134 A140 P141 M143 L144 I147 V190 T191 T192 | V94-F136 HydrophobicContact CB-CD1 3.79Å; V94-F136 HydrophobicContact CB-CE1 3.8Å; V94-F136 HydrophobicContact CB-CG 4.18Å; V94-F136 HydrophobicContact CB-CZ 4.18Å; V94-F136 HydrophobicContact CG1-CD1 4.32Å; V94-F136 HydrophobicContact CG1-CE1 4.22Å; V94-F136 HydrophobicContact CG2-CD1 4.04Å; V94-F136 HydrophobicContact CG2-CD2 4.36Å; V94-F136 HydrophobicContact CG2-CE1 3.56Å; V94-F136 HydrophobicContact CG2-CE2 3.89Å; V94-F136 HydrophobicContact CG2-CG 4.41Å; V94-F136 HydrophobicContact CG2-CZ 3.47Å; V94-F136 VanDerWaalsContact CG2-CZ 3.47Å; L134-F136 HydrophobicContact CB-CD2 4.3Å; L134-F136 HydrophobicContact CB-CE2 4.05Å; F136-A140 HydrophobicContact CB-CB 4.31Å; F136-A140 HydrophobicContact CD1-CB 3.88Å; F136-A140 WeakPolarHBondContact CD1-O 3.19Å; F136-P141 HydrophobicContact CB-CG 3.93Å; F136-M143 HydrophobicContact CD1-CE 4.24Å; F136-M143 HydrophobicContact CE1-CE 3.98Å; F136-L144 HydrophobicContact CB-CD1 4.37Å; F136-L144 HydrophobicContact CD1-CD2 4.38Å; F136-L144 HydrophobicContact CD1-CG 4.41Å; F136-L144 HydrophobicContact CD2-CD2 3.89Å; F136-L144 HydrophobicContact CE1-CD2 4.35Å; F136-L144 HydrophobicContact CE2-CD2 3.89Å; F136-L144 HydrophobicContact CG-CD1 4.44Å; F136-L144 HydrophobicContact CG-CD2 4.17Å; F136-L144 HydrophobicContact CG-CG 4.32Å; F136-L144 HydrophobicContact CZ-CD2 4.12Å; F136-I147 HydrophobicContact CE1-CD1 4.33Å; F136-I147 HydrophobicContact CZ-CD1 4.21Å; F136-V190 PolarHBondContact N-O 2.82Å; F136-T191 HydrophobicContact CB-CG2 4.25Å; F136-T191 WeakPolarHBondContact O-CA 3.47Å; F136-T192 PolarHBondContact O-N 3.26Å |
| 137 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 161.4 | -176.6 | 67.5 | -168.3 | 76 | 0 | 0 | 113.5 | E24 T28 I93 V94 P95 I139 A140 P141 T192 A194 I208 L211 | E24-M137 HydrophobicContact CB-SD 3.87Å; E24-M137 HydrophobicContact CG-SD 4.31Å; E24-M137 WeakPolarHBondContact OE2-CG 3.31Å; T28-M137 VanDerWaalsContact OG1-CE 3.29Å; T28-M137 WeakPolarHBondContact OG1-CE 3.34Å; I93-M137 HydrophobicContact CG2-CE 3.65Å; V94-M137 PolarHBondContact O-N 3.24Å; P95-M137 HydrophobicContact CB-SD 4.34Å; M137-I139 PolarHBondContact O-N 3.39Å; M137-A140 VanDerWaalsContact O-CB 3.23Å; M137-A140 WeakPolarHBondContact O-CB 3.23Å; M137-A140 PolarHBondContact O-N 3.41Å; M137-P141 WeakPolarHBondContact O-CD 3.42Å; M137-T192 CarbonylContact C-O 3.56Å; M137-T192 VanDerWaalsContact CA-O 3.25Å; M137-T192 WeakPolarHBondContact CA-O 3.28Å; M137-T192 HydrophobicContact CB-CG2 3.63Å; M137-A194 HydrophobicContact CB-CB 4.44Å; M137-I208 HydrophobicContact SD-CD1 4.02Å; M137-I208 HydrophobicContact SD-CG1 3.89Å; M137-L211 HydrophobicContact CB-CD1 4.38Å; M137-L211 HydrophobicContact CE-CD2 4.24Å |
| 138 | C | 98.7 | Very high | 98.8 | Very high | 11 Ų | 11 | 22 Ų | 22 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | -122 | 179.1 | -171 | 0 | 0 | 0 | 0 | 110.7 | E24 P141 T192 P193 A194 M196 | E24-C138 VanDerWaalsContact OE1-CB 3.23Å; E24-C138 WeakPolarHBondContact OE1-CB 3.19Å; E24-C138 PolarHBondContact OE1-SG 3.37Å; E24-C138 VanDerWaalsContact OE1-SG 3.37Å; E24-C138 WeakPolarHBondContact OE2-CB 3.44Å; C138-P141 VanDerWaalsContact O-CD 3.23Å; C138-P141 WeakPolarHBondContact O-CD 3.41Å; C138-T192 PolarHBondContact N-O 3.09Å; C138-P193 WeakPolarHBondContact CA-O 3.44Å; C138-A194 HydrophobicContact CB-CB 4.21Å; C138-M196 HydrophobicContact CB-CG 4.41Å |
| 139 | I | 98.8 | Very high | 98.7 | Very high | 23 Ų | 23 | 28.3 Ų | 28.3 | 12% | 0.118 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -10.6 | 177.7 | -161 | 57.8 | 0 | 0 | 0 | 113.6 | A100 A101 F107 M137 A142 T162 M196 | A100-I139 HydrophobicContact CB-CG2 4.23Å; A101-I139 HydrophobicContact CB-CG1 4.38Å; A101-I139 HydrophobicContact CB-CG2 4.29Å; F107-I139 HydrophobicContact CD1-CD1 4.49Å; F107-I139 HydrophobicContact CD1-CG1 4.4Å; F107-I139 HydrophobicContact CE1-CD1 4.02Å; F107-I139 HydrophobicContact CE1-CG1 4.42Å; M137-I139 PolarHBondContact O-N 3.39Å; I139-A142 HydrophobicContact CD1-CB 4.38Å; I139-A142 VanDerWaalsContact O-CB 3.24Å; I139-A142 WeakPolarHBondContact O-CB 3.33Å; I139-A142 PolarHBondContact O-N 3.19Å; I139-A142 VanDerWaalsContact O-N 3.1Å; I139-T162 HydrophobicContact CD1-CG2 3.86Å; I139-M196 HydrophobicContact CB-SD 4.44Å; I139-M196 HydrophobicContact CD1-SD 4.33Å |
| 140 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -58.6 | -34.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V94 A100 F136 M137 A142 M143 | V94-A140 HydrophobicContact CB-CB 4.45Å; V94-A140 HydrophobicContact CG1-CB 4.08Å; A100-A140 HydrophobicContact CB-CB 4.1Å; F136-A140 HydrophobicContact CB-CB 4.31Å; F136-A140 HydrophobicContact CD1-CB 3.88Å; F136-A140 WeakPolarHBondContact CD1-O 3.19Å; M137-A140 VanDerWaalsContact O-CB 3.23Å; M137-A140 WeakPolarHBondContact O-CB 3.23Å; M137-A140 PolarHBondContact O-N 3.41Å; A140-A142 PolarHBondContact O-N 3.28Å; A140-M143 HydrophobicContact CB-CE 3.91Å; A140-M143 WeakPolarHBondContact O-CB 3.43Å; A140-M143 WeakPolarHBondContact O-CE 3.32Å; A140-M143 PolarHBondContact O-N 3.43Å |
| 141 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -53.4 | -23.6 | 173.7 | -29.7 | 37.7 | 0 | 0 | 0 | 114.6 | F136 M137 C138 M143 L144 T155 I156 T191 | F136-P141 HydrophobicContact CB-CG 3.93Å; M137-P141 WeakPolarHBondContact O-CD 3.42Å; C138-P141 VanDerWaalsContact O-CD 3.23Å; C138-P141 WeakPolarHBondContact O-CD 3.41Å; P141-M143 PolarHBondContact O-N 3Å; P141-M143 VanDerWaalsContact O-N 3.08Å; P141-L144 HydrophobicContact CB-CD1 4.15Å; P141-L144 WeakPolarHBondContact O-CB 3.23Å; P141-L144 PolarHBondContact O-N 3.3Å; P141-T155 WeakPolarHBondContact CG-O 3.4Å; P141-I156 HydrophobicContact CB-CG2 3.97Å; P141-I156 HydrophobicContact CG-CG2 4.32Å; P141-T191 HydrophobicContact CB-CG2 3.95Å; P141-T191 HydrophobicContact CG-CG2 3.75Å |
| 142 | A | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -60 | -20.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F107 I139 A140 L166 M169 | F107-A142 HydrophobicContact CD1-CB 4.01Å; F107-A142 HydrophobicContact CD2-CB 3.93Å; F107-A142 HydrophobicContact CE1-CB 3.95Å; F107-A142 HydrophobicContact CE2-CB 3.86Å; F107-A142 HydrophobicContact CG-CB 4Å; F107-A142 HydrophobicContact CZ-CB 3.88Å; I139-A142 HydrophobicContact CD1-CB 4.38Å; I139-A142 VanDerWaalsContact O-CB 3.24Å; I139-A142 WeakPolarHBondContact O-CB 3.33Å; I139-A142 PolarHBondContact O-N 3.19Å; I139-A142 VanDerWaalsContact O-N 3.1Å; A140-A142 PolarHBondContact O-N 3.28Å; A142-L166 HydrophobicContact CB-CD2 3.68Å; A142-M169 VanDerWaalsContact O-CE 3.24Å; A142-M169 WeakPolarHBondContact O-CE 3.44Å |
| 143 | M | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -77.6 | -24.1 | 175.4 | -64.4 | -175.3 | -79.1 | 0 | 0 | 113.2 | V94 A100 L104 V116 L120 F136 A140 P141 K146 I147 | V94-M143 HydrophobicContact CG1-CE 4.06Å; A100-M143 HydrophobicContact CB-CE 4.15Å; L104-M143 HydrophobicContact CB-CE 4.19Å; L104-M143 HydrophobicContact CB-SD 3.69Å; L104-M143 HydrophobicContact CD1-CE 4.3Å; V116-M143 HydrophobicContact CG1-CB 4.49Å; V116-M143 HydrophobicContact CG1-SD 4.14Å; V116-M143 HydrophobicContact CG2-CB 3.77Å; V116-M143 HydrophobicContact CG2-CG 4.01Å; L120-M143 HydrophobicContact CD2-CE 4.17Å; L120-M143 HydrophobicContact CD2-SD 3.87Å; F136-M143 HydrophobicContact CD1-CE 4.24Å; F136-M143 HydrophobicContact CE1-CE 3.98Å; A140-M143 HydrophobicContact CB-CE 3.91Å; A140-M143 WeakPolarHBondContact O-CB 3.43Å; A140-M143 WeakPolarHBondContact O-CE 3.32Å; A140-M143 PolarHBondContact O-N 3.43Å; P141-M143 PolarHBondContact O-N 3Å; P141-M143 VanDerWaalsContact O-N 3.08Å; M143-K146 CarbonylContact O-C 3.43Å; M143-K146 PolarHBondContact O-N 3.31Å; M143-I147 HydrophobicContact CB-CD1 4.04Å; M143-I147 WeakPolarHBondContact O-CG1 3.05Å; M143-I147 PolarHBondContact O-N 3.2Å |
| 144 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.1 | -46.9 | -169.2 | -70.1 | 167.6 | 0 | 0 | 0 | 113 | F136 P141 K146 I147 F148 L152 L154 I189 T191 | F136-L144 HydrophobicContact CB-CD1 4.37Å; F136-L144 HydrophobicContact CD1-CD2 4.38Å; F136-L144 HydrophobicContact CD1-CG 4.41Å; F136-L144 HydrophobicContact CD2-CD2 3.89Å; F136-L144 HydrophobicContact CE1-CD2 4.35Å; F136-L144 HydrophobicContact CE2-CD2 3.89Å; F136-L144 HydrophobicContact CG-CD1 4.44Å; F136-L144 HydrophobicContact CG-CD2 4.17Å; F136-L144 HydrophobicContact CG-CG 4.32Å; F136-L144 HydrophobicContact CZ-CD2 4.12Å; P141-L144 HydrophobicContact CB-CD1 4.15Å; P141-L144 WeakPolarHBondContact O-CB 3.23Å; P141-L144 PolarHBondContact O-N 3.3Å; L144-K146 PolarHBondContact O-N 3.08Å; L144-I147 PolarHBondContact O-N 3.41Å; L144-F148 HydrophobicContact CD2-CD2 4.3Å; L144-F148 HydrophobicContact CD2-CE2 4.07Å; L144-F148 PolarHBondContact O-N 3.41Å; L144-L152 HydrophobicContact CB-CD1 4.11Å; L144-L154 HydrophobicContact CB-CD2 3.95Å; L144-L154 HydrophobicContact CD1-CB 4.35Å; L144-L154 HydrophobicContact CD1-CD2 3.93Å; L144-I189 HydrophobicContact CD1-CG2 3.75Å; L144-I189 HydrophobicContact CD2-CD1 4.2Å; L144-I189 HydrophobicContact CD2-CG2 4.16Å; L144-T191 HydrophobicContact CD1-CG2 3.87Å |
| 145 | P | 98.7 | Very high | 98.7 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 10% | 0.097 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.7 | -14.1 | 178.5 | -20 | 35.3 | 0 | 0 | 0 | 113.9 | L154 M169 A171 | P145-L154 HydrophobicContact CG-CD2 4.14Å; P145-M169 HydrophobicContact CB-CB 3.69Å; P145-M169 WeakPolarHBondContact CB-O 3.5Å; P145-M169 HydrophobicContact CG-CB 4.22Å; P145-A171 HydrophobicContact CG-CB 3.85Å |
| 146 | K | 98.7 | Very high | 98.7 | Very high | 59 Ų | 59 | 27.8 Ų | 27.8 | 26% | 0.257 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -94.1 | -15.3 | 171.9 | -65.8 | -59.7 | -173.5 | -175.5 | 0 | 113.5 | S112 V116 K121 M143 L144 M169 | S112-K146 WeakPolarHBondContact O-CE 3.38Å; S112-K146 PolarHBondContact O-NZ 2.88Å; V116-K146 HydrophobicContact CG2-CB 3.75Å; K121-K146 WeakPolarHBondContact CE-O 3.39Å; K121-K146 PolarHBondContact NZ-O 3.23Å; M143-K146 CarbonylContact O-C 3.43Å; M143-K146 PolarHBondContact O-N 3.31Å; L144-K146 PolarHBondContact O-N 3.08Å; K146-M169 HydrophobicContact CD-CE 4.11Å; K146-M169 HydrophobicContact CG-CE 3.43Å; K146-M169 VanDerWaalsContact CG-CE 3.43Å |
| 147 | I | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -83.6 | -45.4 | 171.2 | -66.3 | 166.8 | 0 | 0 | 0 | 109.6 | V116 K121 A124 Q125 F136 M143 L144 | V116-I147 HydrophobicContact CB-CG1 4.33Å; V116-I147 HydrophobicContact CG1-CD1 4.23Å; V116-I147 HydrophobicContact CG1-CG1 4Å; V116-I147 HydrophobicContact CG2-CG1 4.14Å; K121-I147 HydrophobicContact CG-CG2 4.4Å; A124-I147 HydrophobicContact CB-CD1 4.28Å; A124-I147 HydrophobicContact CB-CG2 3.82Å; Q125-I147 HydrophobicContact CG-CG2 4.03Å; Q125-I147 PolarHBondContact NE2-O 2.95Å; F136-I147 HydrophobicContact CE1-CD1 4.33Å; F136-I147 HydrophobicContact CZ-CD1 4.21Å; M143-I147 HydrophobicContact CB-CD1 4.04Å; M143-I147 WeakPolarHBondContact O-CG1 3.05Å; M143-I147 PolarHBondContact O-N 3.2Å; L144-I147 PolarHBondContact O-N 3.41Å |
| 148 | F | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | trans | -114 | 124.6 | -173 | -61.2 | -68.8 | 0 | 0 | 0 | 111.5 | A124 Q125 H128 L134 L144 F150 L152 I189 | A124-F148 HydrophobicContact CB-CZ 4.34Å; Q125-F148 HydrophobicContact CG-CE1 4.19Å; H128-F148 HydrophobicContact CB-CE1 3.52Å; H128-F148 HydrophobicContact CB-CZ 3.77Å; H128-F148 AromaticContact CG-CE1 3.71Å; L134-F148 HydrophobicContact CD1-CE2 3.72Å; L134-F148 HydrophobicContact CD1-CZ 3.56Å; L144-F148 HydrophobicContact CD2-CD2 4.3Å; L144-F148 HydrophobicContact CD2-CE2 4.07Å; L144-F148 PolarHBondContact O-N 3.41Å; F148-F150 HydrophobicContact CB-CD1 4.23Å; F148-F150 HydrophobicContact CB-CD2 4.42Å; F148-F150 HydrophobicContact CB-CE1 3.77Å; F148-F150 HydrophobicContact CB-CE2 3.98Å; F148-F150 HydrophobicContact CB-CZ 3.63Å; F148-F150 AromaticContact CD1-CE1 3.77Å; F148-F150 HydrophobicContact CD1-CE1 3.77Å; F148-F150 AromaticContact CD1-CZ 3.52Å; F148-F150 HydrophobicContact CD1-CZ 3.52Å; F148-F150 HydrophobicContact CE1-CZ 4.41Å; F148-F150 HydrophobicContact CG-CE1 4.15Å; F148-F150 HydrophobicContact CG-CE2 4.33Å; F148-F150 AromaticContact CG-CZ 3.74Å; F148-F150 HydrophobicContact CG-CZ 3.74Å; F148-F150 PolarHBondContact O-N 3.39Å; F148-L152 HydrophobicContact CB-CD1 3.89Å; F148-L152 HydrophobicContact CD2-CD1 3.65Å; F148-L152 HydrophobicContact CG-CD1 4.08Å; F148-I189 HydrophobicContact CD2-CD1 4.13Å; F148-I189 HydrophobicContact CE2-CD1 3.89Å | ||
| 149 | D | 97.9 | Very high | 98.7 | Very high | 170 Ų | 170 | 34.3 Ų | 34.3 | 91% | 0.909 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -90.7 | 50.1 | -178.9 | -165.6 | 25.9 | 0 | 0 | 0 | 111.1 | ||
| 150 | F | 98.5 | Very high | 98.7 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -157.3 | 155.7 | 175.6 | 51.8 | -98.8 | 0 | 0 | 0 | 110.1 | H128 F148 L152 N187 | H128-F150 AromaticContact CE1-CE1 3.98Å; H128-F150 AromaticContact CE1-CZ 3.45Å; H128-F150 VanDerWaalsContact CE1-CZ 3.45Å; H128-F150 WeakPolarHBondContact CE1-CZ 3.28Å; H128-F150 AromaticContact NE2-CZ 3.55Å; F148-F150 HydrophobicContact CB-CD1 4.23Å; F148-F150 HydrophobicContact CB-CD2 4.42Å; F148-F150 HydrophobicContact CB-CE1 3.77Å; F148-F150 HydrophobicContact CB-CE2 3.98Å; F148-F150 HydrophobicContact CB-CZ 3.63Å; F148-F150 AromaticContact CD1-CE1 3.77Å; F148-F150 HydrophobicContact CD1-CE1 3.77Å; F148-F150 AromaticContact CD1-CZ 3.52Å; F148-F150 HydrophobicContact CD1-CZ 3.52Å; F148-F150 HydrophobicContact CE1-CZ 4.41Å; F148-F150 HydrophobicContact CG-CE1 4.15Å; F148-F150 HydrophobicContact CG-CE2 4.33Å; F148-F150 AromaticContact CG-CZ 3.74Å; F148-F150 HydrophobicContact CG-CZ 3.74Å; F148-F150 PolarHBondContact O-N 3.39Å; F150-L152 HydrophobicContact CD2-CD2 4.2Å; F150-L152 HydrophobicContact CD2-CG 4.19Å; F150-L152 HydrophobicContact CE2-CD1 4.42Å; F150-L152 HydrophobicContact CE2-CD2 3.69Å; F150-L152 HydrophobicContact CE2-CG 3.98Å; F150-N187 WeakPolarHBondContact CE2-OD1 3.47Å |
| 151 | P | 98.4 | Very high | 98.6 | Very high | 103 Ų | 103 | 44.2 Ų | 44.2 | 67% | 0.669 | 23% | 0.23 | S | C | * | . | trans | -61.6 | 140 | -178.5 | -22.7 | 33.9 | 0 | 0 | 0 | 112.8 | G170 | P151-G170 WeakPolarHBondContact CA-O 3.41Š| ||
| 152 | L | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | -133.9 | 138.7 | 179.1 | -77.9 | 173.2 | 0 | 0 | 0 | 110.8 | L144 F148 F150 E172 D184 N187 I189 | L144-L152 HydrophobicContact CB-CD1 4.11Å; F148-L152 HydrophobicContact CB-CD1 3.89Å; F148-L152 HydrophobicContact CD2-CD1 3.65Å; F148-L152 HydrophobicContact CG-CD1 4.08Å; F150-L152 HydrophobicContact CD2-CD2 4.2Å; F150-L152 HydrophobicContact CD2-CG 4.19Å; F150-L152 HydrophobicContact CE2-CD1 4.42Å; F150-L152 HydrophobicContact CE2-CD2 3.69Å; F150-L152 HydrophobicContact CE2-CG 3.98Å; L152-E172 PolarHBondContact O-N 2.76Å; L152-D184 WeakPolarHBondContact CA-OD2 3.49Å; L152-D184 HydrophobicContact CD2-CB 4.45Å; L152-D184 WeakPolarHBondContact CD2-OD2 3.39Å; L152-N187 HydrophobicContact CD2-CB 3.6Å; L152-N187 WeakPolarHBondContact CD2-ND2 3.22Å; L152-I189 HydrophobicContact CD1-CD1 3.61Å; L152-I189 HydrophobicContact CD2-CD1 3.61Å; L152-I189 HydrophobicContact CD2-CG1 4.43Å; L152-I189 HydrophobicContact CG-CD1 4.25Å | ||
| 153 | R | 98.8 | Very high | 98.6 | Very high | 112 Ų | 112 | 45.9 Ų | 45.9 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 119.3 | 170.6 | -61 | -176.7 | 71 | -150.4 | -8.7 | 109.8 | E172 D184 | R153-E172 WeakPolarHBondContact CA-O 3.28Å; R153-E172 HydrophobicContact CG-CB 4.23Å; R153-E172 HydrophobicContact CG-CG 4.4Å; R153-E172 WeakPolarHBondContact CG-OE2 3.41Å; R153-E172 IonicContact CZ-OE1 2.83Å; R153-E172 IonicContact NE-OE1 2.71Å; R153-E172 PolarHBondContact NE-OE1 3.05Å; R153-E172 IonicContact NE-OE2 3.73Å; R153-D184 HydrophobicContact CB-CB 4.18Å; R153-D184 PolarHBondContact N-OD2 2.88Å |
| 154 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 170 | -175.5 | 56 | 74.7 | 0 | 0 | 0 | 112.3 | L144 P145 L166 A171 E172 H173 V174 T191 | L144-L154 HydrophobicContact CB-CD2 3.95Å; L144-L154 HydrophobicContact CD1-CB 4.35Å; L144-L154 HydrophobicContact CD1-CD2 3.93Å; P145-L154 HydrophobicContact CG-CD2 4.14Å; L154-L166 HydrophobicContact CD1-CB 4.45Å; L154-L166 HydrophobicContact CD1-CD1 3.53Å; L154-A171 HydrophobicContact CD1-CB 3.91Å; L154-A171 HydrophobicContact CD2-CB 3.81Å; L154-A171 HydrophobicContact CG-CB 3.88Å; L154-E172 PolarHBondContact N-O 3.03Å; L154-E172 VanDerWaalsContact N-O 3.12Å; L154-H173 WeakPolarHBondContact O-CA 3.28Å; L154-V174 PolarHBondContact O-N 3.35Å; L154-T191 HydrophobicContact CB-CG2 4.1Å |
| 155 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -138.2 | 149 | 174.2 | -165.3 | 0 | 0 | 0 | 0 | 112.2 | P141 G157 V174 C176 V182 T191 P193 | P141-T155 WeakPolarHBondContact CG-O 3.4Å; T155-G157 PolarHBondContact OG1-N 3.38Å; T155-V174 WeakPolarHBondContact CB-O 3.3Å; T155-V174 PolarHBondContact OG1-O 3.36Å; T155-C176 HydrophobicContact CG2-CB 3.62Å; T155-C176 WeakPolarHBondContact OG1-CB 3.3Å; T155-V182 HydrophobicContact CG2-CB 3.94Å; T155-V182 HydrophobicContact CG2-CG2 3.83Å; T155-T191 PolarHBondContact N-OG1 3.29Å; T155-P193 HydrophobicContact CG2-CG 4.34Å | ||
| 156 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | trans | -118.4 | 11.6 | 161.4 | 52.7 | 66.3 | 0 | 0 | 0 | 111.6 | P141 D159 T162 L166 H173 M196 | P141-I156 HydrophobicContact CB-CG2 3.97Å; P141-I156 HydrophobicContact CG-CG2 4.32Å; I156-D159 HydrophobicContact CD1-CB 4.21Å; I156-T162 HydrophobicContact CB-CG2 4.47Å; I156-T162 HydrophobicContact CD1-CG2 4.13Å; I156-T162 HydrophobicContact CG1-CG2 3.78Å; I156-L166 HydrophobicContact CG1-CD1 4.17Å; I156-L166 HydrophobicContact CG2-CD1 3.67Å; I156-H173 WeakPolarHBondContact CD1-NE2 3.45Å; I156-H173 PolarHBondContact N-NE2 3Å; I156-M196 HydrophobicContact CB-CE 4.39Å; I156-M196 HydrophobicContact CD1-CE 4.3Å; I156-M196 WeakPolarHBondContact O-CB 3.36Å; I156-M196 WeakPolarHBondContact O-CG 3.34Å | ||
| 157 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | 107 | -124.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112 | T155 H173 P175 C176 | T155-G157 PolarHBondContact OG1-N 3.38Å; G157-H173 PolarHBondContact O-CE1 3.44Å; G157-P175 WeakPolarHBondContact O-CA 3.26Å; G157-C176 WeakPolarHBondContact CA-O 3.5Å; G157-C176 PolarHBondContact O-N 2.86Å | ||
| 158 | T | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 61.6 Ų | 61.6 | 49% | 0.485 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -136.2 | 13.1 | -172.6 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | I160 P175 L197 | T158-I160 PolarHBondContact O-N 3.2Å; T158-P175 HydrophobicContact CG2-CB 4.33Å; T158-L197 HydrophobicContact CG2-CD1 4.38Å |
| 159 | D | 98.4 | Very high | 98.5 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | trans | -72.8 | 121.1 | 175.8 | -177.1 | 66 | 0 | 0 | 0 | 110.2 | I156 T162 A163 M196 | I156-D159 HydrophobicContact CD1-CB 4.21Å; D159-T162 VanDerWaalsContact OD2-CB 3.24Å; D159-T162 WeakPolarHBondContact OD2-CB 3.39Å; D159-T162 PolarHBondContact OD2-N 2.86Å; D159-T162 PolarHBondContact OD2-OG1 3.48Å; D159-A163 VanDerWaalsContact O-CB 3.26Å; D159-A163 WeakPolarHBondContact O-CB 3.46Å; D159-A163 PolarHBondContact O-N 3.45Å; D159-A163 VanDerWaalsContact O-N 3.07Å; D159-M196 HydrophobicContact CB-CE 4.36Å | ||
| 160 | I | 98.3 | Very high | 98.5 | Very high | 114 Ų | 114 | 56.1 Ų | 56.1 | 59% | 0.585 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -69.2 | -47 | -172.4 | -62.1 | 173.4 | 0 | 0 | 0 | 110.2 | T158 T162 A163 E164 | T158-I160 PolarHBondContact O-N 3.2Å; I160-T162 PolarHBondContact O-N 3.03Å; I160-A163 WeakPolarHBondContact O-CB 3.36Å; I160-A163 PolarHBondContact O-N 3.4Å; I160-A163 VanDerWaalsContact O-N 3.15Å; I160-E164 HydrophobicContact CG2-CG 4.34Å; I160-E164 WeakPolarHBondContact O-CG 3.3Å; I160-E164 PolarHBondContact O-N 3.04Å |
| 161 | D | 98.2 | Very high | 98.5 | Very high | 116 Ų | 116 | 53.1 Ų | 53.1 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.7 | -44.4 | -176.5 | -63.5 | 2.1 | 0 | 0 | 0 | 111 | V165 | D161-V165 WeakPolarHBondContact O-CG2 3.2Å; D161-V165 PolarHBondContact O-N 3.08Å |
| 162 | T | 98.1 | Very high | 98.5 | Very high | 25 Ų | 25 | 53 Ų | 53 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 176.3 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | I139 I156 D159 I160 V165 L166 | I139-T162 HydrophobicContact CD1-CG2 3.86Å; I156-T162 HydrophobicContact CB-CG2 4.47Å; I156-T162 HydrophobicContact CD1-CG2 4.13Å; I156-T162 HydrophobicContact CG1-CG2 3.78Å; D159-T162 VanDerWaalsContact OD2-CB 3.24Å; D159-T162 WeakPolarHBondContact OD2-CB 3.39Å; D159-T162 PolarHBondContact OD2-N 2.86Å; D159-T162 PolarHBondContact OD2-OG1 3.48Å; I160-T162 PolarHBondContact O-N 3.03Å; T162-V165 PolarHBondContact O-N 3.12Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 2.83Å |
| 163 | A | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | D159 I160 V165 L166 E167 H173 | D159-A163 VanDerWaalsContact O-CB 3.26Å; D159-A163 WeakPolarHBondContact O-CB 3.46Å; D159-A163 PolarHBondContact O-N 3.45Å; D159-A163 VanDerWaalsContact O-N 3.07Å; I160-A163 WeakPolarHBondContact O-CB 3.36Å; I160-A163 PolarHBondContact O-N 3.4Å; I160-A163 VanDerWaalsContact O-N 3.15Å; A163-V165 VanDerWaalsContact C-N 3.32Å; A163-V165 PolarHBondContact O-N 2.83Å; A163-L166 PolarHBondContact O-N 2.77Å; A163-L166 VanDerWaalsContact O-N 3.09Å; A163-E167 PolarHBondContact O-N 2.85Å; A163-H173 HydrophobicContact CB-CB 4.16Å; A163-H173 WeakPolarHBondContact CB-ND1 3.33Å |
| 164 | E | 98.4 | Very high | 98.5 | Very high | 122 Ų | 122 | 50 Ų | 50 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.8 | -41.6 | 177.7 | -74.4 | -177.2 | 174.3 | 0 | 0 | 112 | I160 L166 E167 E168 | I160-E164 HydrophobicContact CG2-CG 4.34Å; I160-E164 WeakPolarHBondContact O-CG 3.3Å; I160-E164 PolarHBondContact O-N 3.04Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.14Å; E164-E167 PolarHBondContact O-N 3.23Å; E164-E168 PolarHBondContact O-N 2.92Å |
| 165 | V | 98.4 | Very high | 98.5 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 176 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | F107 D161 T162 A163 E168 M169 | F107-V165 HydrophobicContact CE2-CG1 3.7Å; F107-V165 HydrophobicContact CZ-CG1 3.85Å; D161-V165 WeakPolarHBondContact O-CG2 3.2Å; D161-V165 PolarHBondContact O-N 3.08Å; T162-V165 PolarHBondContact O-N 3.12Å; A163-V165 VanDerWaalsContact C-N 3.32Å; A163-V165 PolarHBondContact O-N 2.83Å; V165-E168 WeakPolarHBondContact O-CB 3.29Å; V165-E168 PolarHBondContact O-N 3.48Å; V165-M169 HydrophobicContact CG1-SD 4.03Å; V165-M169 WeakPolarHBondContact O-CG 3.34Å; V165-M169 PolarHBondContact O-N 2.9Å; V165-M169 VanDerWaalsContact O-SD 3.41Å |
| 166 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 177.5 | -61.9 | -164.6 | 0 | 0 | 0 | 112.6 | F107 A142 L154 I156 T162 A163 E164 E168 M169 G170 A171 | F107-L166 HydrophobicContact CE2-CD2 4.21Å; F107-L166 HydrophobicContact CZ-CD2 4.32Å; A142-L166 HydrophobicContact CB-CD2 3.68Å; L154-L166 HydrophobicContact CD1-CB 4.45Å; L154-L166 HydrophobicContact CD1-CD1 3.53Å; I156-L166 HydrophobicContact CG1-CD1 4.17Å; I156-L166 HydrophobicContact CG2-CD1 3.67Å; T162-L166 WeakPolarHBondContact O-CG 3.31Å; T162-L166 PolarHBondContact O-N 2.83Å; A163-L166 PolarHBondContact O-N 2.77Å; A163-L166 VanDerWaalsContact O-N 3.09Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.14Å; L166-E168 VanDerWaalsContact C-N 3.34Å; L166-M169 HydrophobicContact CD2-SD 3.87Å; L166-M169 CarbonylContact O-C 3.58Å; L166-M169 PolarHBondContact O-N 3.12Å; L166-M169 VanDerWaalsContact O-N 3.15Å; L166-G170 PolarHBondContact O-N 3.05Å; L166-A171 HydrophobicContact CB-CB 4.05Å; L166-A171 VanDerWaalsContact O-CB 3.25Å; L166-A171 WeakPolarHBondContact O-CB 3.48Å; L166-A171 PolarHBondContact O-N 2.82Å |
| 167 | E | 98.5 | Very high | 98.5 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 173.6 | -68.5 | -171.5 | 171.5 | 0 | 0 | 111.4 | A163 E164 M169 G170 H173 | A163-E167 PolarHBondContact O-N 2.85Å; E164-E167 PolarHBondContact O-N 3.23Å; E167-M169 PolarHBondContact O-N 2.89Å; E167-G170 PolarHBondContact O-N 3.46Å; E167-H173 HydrophobicContact CG-CB 4.08Å |
| 168 | E | 98.1 | Very high | 98.5 | Very high | 139 Ų | 139 | 59 Ų | 59 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.2 | -33.9 | 171.5 | -171.9 | -176.2 | -161.3 | 0 | 0 | 111.8 | S112 E164 V165 L166 G170 | S112-E168 VanDerWaalsContact CB-OE2 3.25Å; S112-E168 WeakPolarHBondContact CB-OE2 3.39Å; S112-E168 PolarHBondContact OG-OE2 3.14Å; E164-E168 PolarHBondContact O-N 2.92Å; V165-E168 WeakPolarHBondContact O-CB 3.29Å; V165-E168 PolarHBondContact O-N 3.48Å; L166-E168 VanDerWaalsContact C-N 3.34Å; E168-G170 VanDerWaalsContact C-N 3.28Å; E168-G170 PolarHBondContact O-N 3.39Å |
| 169 | M | 98.4 | Very high | 98.5 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.6 | 177.2 | -59.9 | 159.4 | 73.4 | 0 | 0 | 113.7 | F107 A142 P145 K146 V165 L166 E167 | F107-M169 HydrophobicContact CD2-CE 4.39Å; F107-M169 HydrophobicContact CD2-SD 4.45Å; F107-M169 HydrophobicContact CE2-CE 4.39Å; F107-M169 HydrophobicContact CE2-SD 3.91Å; A142-M169 VanDerWaalsContact O-CE 3.24Å; A142-M169 WeakPolarHBondContact O-CE 3.44Å; P145-M169 HydrophobicContact CB-CB 3.69Å; P145-M169 WeakPolarHBondContact CB-O 3.5Å; P145-M169 HydrophobicContact CG-CB 4.22Å; K146-M169 HydrophobicContact CD-CE 4.11Å; K146-M169 HydrophobicContact CG-CE 3.43Å; K146-M169 VanDerWaalsContact CG-CE 3.43Å; V165-M169 HydrophobicContact CG1-SD 4.03Å; V165-M169 WeakPolarHBondContact O-CG 3.34Å; V165-M169 PolarHBondContact O-N 2.9Å; V165-M169 VanDerWaalsContact O-SD 3.41Å; L166-M169 HydrophobicContact CD2-SD 3.87Å; L166-M169 CarbonylContact O-C 3.58Å; L166-M169 PolarHBondContact O-N 3.12Å; L166-M169 VanDerWaalsContact O-N 3.15Å; E167-M169 PolarHBondContact O-N 2.89Å |
| 170 | G | 98.3 | Very high | 98.5 | Very high | 40 Ų | 40 | 58.8 Ų | 58.8 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.8 | 8.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P151 L166 E167 E168 | P151-G170 WeakPolarHBondContact CA-O 3.41Å; L166-G170 PolarHBondContact O-N 3.05Å; E167-G170 PolarHBondContact O-N 3.46Å; E168-G170 VanDerWaalsContact C-N 3.28Å; E168-G170 PolarHBondContact O-N 3.39Å |
| 171 | A | 98.6 | Very high | 98.6 | Very high | 11 Ų | 11 | 55 Ų | 55 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | trans | -76.4 | 156.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P145 L154 L166 | P145-A171 HydrophobicContact CG-CB 3.85Å; L154-A171 HydrophobicContact CD1-CB 3.91Å; L154-A171 HydrophobicContact CD2-CB 3.81Å; L154-A171 HydrophobicContact CG-CB 3.88Å; L166-A171 HydrophobicContact CB-CB 4.05Å; L166-A171 VanDerWaalsContact O-CB 3.25Å; L166-A171 WeakPolarHBondContact O-CB 3.48Å; L166-A171 PolarHBondContact O-N 2.82Å | ||
| 172 | E | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 50 Ų | 50 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 98.6 | 158.6 | -177.7 | -167.5 | 136.2 | 0 | 0 | 107.5 | L152 R153 L154 | L152-E172 PolarHBondContact O-N 2.76Å; R153-E172 WeakPolarHBondContact CA-O 3.28Å; R153-E172 HydrophobicContact CG-CB 4.23Å; R153-E172 HydrophobicContact CG-CG 4.4Å; R153-E172 WeakPolarHBondContact CG-OE2 3.41Å; R153-E172 IonicContact CZ-OE1 2.83Å; R153-E172 IonicContact NE-OE1 2.71Å; R153-E172 PolarHBondContact NE-OE1 3.05Å; R153-E172 IonicContact NE-OE2 3.73Å; L154-E172 PolarHBondContact N-O 3.03Å; L154-E172 VanDerWaalsContact N-O 3.12Å |
| 173 | H | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 9% | 0.088 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 129.2 | 178.8 | -179.6 | -91.8 | 0 | 0 | 0 | 111 | L154 I156 G157 A163 E167 | L154-H173 WeakPolarHBondContact O-CA 3.28Å; I156-H173 WeakPolarHBondContact CD1-NE2 3.45Å; I156-H173 PolarHBondContact N-NE2 3Å; G157-H173 PolarHBondContact O-CE1 3.44Å; A163-H173 HydrophobicContact CB-CB 4.16Å; A163-H173 WeakPolarHBondContact CB-ND1 3.33Å; E167-H173 HydrophobicContact CG-CB 4.08Å |
| 174 | V | 98.9 | Very high | 98.7 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | trans | -115.8 | 116.7 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | L154 T155 C176 V182 | L154-V174 PolarHBondContact O-N 3.35Å; T155-V174 WeakPolarHBondContact CB-O 3.3Å; T155-V174 PolarHBondContact OG1-O 3.36Å; V174-C176 PolarHBondContact O-N 2.97Å; V174-V182 HydrophobicContact CB-CG1 3.99Å; V174-V182 HydrophobicContact CB-CG2 3.88Å; V174-V182 HydrophobicContact CG1-CG1 4.45Å; V174-V182 HydrophobicContact CG1-CG2 3.81Å; V174-V182 HydrophobicContact CG2-CG1 4.17Å | ||
| 175 | P | 98.7 | Very high | 98.6 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 63% | 0.63 | 27% | 0.269 | S | S | * | . | trans | -57.2 | 129.7 | 175.9 | -25.6 | 34.6 | 0 | 0 | 0 | 111.7 | G157 T158 | G157-P175 WeakPolarHBondContact O-CA 3.26Å; T158-P175 HydrophobicContact CG2-CB 4.33Å | ||
| 176 | C | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | trans | -136.7 | 131.9 | -176.6 | -172.2 | 0 | 0 | 0 | 0 | 110.6 | T155 G157 V174 D180 V182 P193 L197 | T155-C176 HydrophobicContact CG2-CB 3.62Å; T155-C176 WeakPolarHBondContact OG1-CB 3.3Å; G157-C176 WeakPolarHBondContact CA-O 3.5Å; G157-C176 PolarHBondContact O-N 2.86Å; V174-C176 PolarHBondContact O-N 2.97Å; C176-D180 PolarHBondContact SG-O 3.39Å; C176-V182 HydrophobicContact CB-CG2 3.92Å; C176-P193 HydrophobicContact CB-CG 4.01Å; C176-P193 WeakPolarHBondContact O-CG 3.4Å; C176-L197 VanDerWaalsContact O-CD1 3.25Å; C176-L197 WeakPolarHBondContact O-CD1 3.43Å | ||
| 177 | P | 98.7 | Very high | 98.6 | Very high | 67 Ų | 67 | 55.9 Ų | 55.9 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | trans | -70.2 | 163 | 170.7 | 32.4 | -35.6 | 0 | 0 | 0 | 111.1 | D179 D180 | P177-D179 PolarHBondContact O-N 3.45Å; P177-D180 HydrophobicContact CG-CB 3.91Å; P177-D180 PolarHBondContact O-N 3.31Å | ||
| 178 | V | 98.8 | Very high | 98.6 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.9 | -175.7 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | D180 L197 A198 E203 G207 | V178-D180 VanDerWaalsContact C-N 3.35Å; V178-L197 HydrophobicContact CB-CB 3.89Å; V178-L197 HydrophobicContact CG2-CB 4.28Å; V178-A198 HydrophobicContact CG2-CB 3.61Å; V178-E203 HydrophobicContact CG1-CB 4.12Å; V178-E203 HydrophobicContact CG1-CG 4.43Å; V178-E203 HydrophobicContact CG2-CB 4.13Å; V178-G207 WeakPolarHBondContact O-CA 3.2Å |
| 179 | D | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 47.3 Ų | 47.3 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 12.3 | -173.8 | 69.4 | -31.3 | 0 | 0 | 0 | 113.2 | P177 S206 K210 | P177-D179 PolarHBondContact O-N 3.45Å; D179-S206 WeakPolarHBondContact CA-OG 3.38Å; D179-S206 VanDerWaalsContact CB-OG 3.23Å; D179-S206 WeakPolarHBondContact CB-OG 3.47Å; D179-K210 VanDerWaalsContact O-CD 3.27Å; D179-K210 WeakPolarHBondContact O-CD 3.45Å; D179-K210 WeakPolarHBondContact O-CE 3.4Å; D179-K210 PolarHBondContact O-NZ 3.36Å |
| 180 | D | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | trans | -133.6 | 180 | -179.3 | -144 | 10.5 | 0 | 0 | 0 | 113.6 | C176 P177 V178 T192 K210 | C176-D180 PolarHBondContact SG-O 3.39Å; P177-D180 HydrophobicContact CG-CB 3.91Å; P177-D180 PolarHBondContact O-N 3.31Å; V178-D180 VanDerWaalsContact C-N 3.35Å; D180-T192 PolarHBondContact O-OG1 2.8Å; D180-K210 IonicContact OD1-NZ 3.51Å; D180-K210 PolarHBondContact OD1-NZ 3.01Å | ||
| 181 | I | 98.9 | Very high | 98.7 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | trans | -132.4 | 156.6 | -176.4 | 66.3 | 177.7 | 0 | 0 | 0 | 111.5 | V183 V190 T191 K210 L211 R214 | I181-V183 HydrophobicContact CD1-CG2 3.95Å; I181-V183 HydrophobicContact CG1-CG2 4.22Å; I181-V190 HydrophobicContact CB-CG1 4.19Å; I181-V190 HydrophobicContact CD1-CG1 3.95Å; I181-T191 CarbonylContact C-O 3.59Å; I181-T191 VanDerWaalsContact CA-O 3.25Å; I181-T191 WeakPolarHBondContact CA-O 3.43Å; I181-T191 WeakPolarHBondContact CB-O 3.4Å; I181-K210 HydrophobicContact CG2-CB 3.76Å; I181-L211 HydrophobicContact CG2-CB 4.01Å; I181-R214 HydrophobicContact CD1-CB 3.57Å; I181-R214 HydrophobicContact CD1-CG 3.81Å | ||
| 182 | V | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136 | 165.9 | 171.6 | 0 | 0 | 0 | 0 | 108.9 | T155 V174 C176 V190 T191 | T155-V182 HydrophobicContact CG2-CB 3.94Å; T155-V182 HydrophobicContact CG2-CG2 3.83Å; V174-V182 HydrophobicContact CB-CG1 3.99Å; V174-V182 HydrophobicContact CB-CG2 3.88Å; V174-V182 HydrophobicContact CG1-CG1 4.45Å; V174-V182 HydrophobicContact CG1-CG2 3.81Å; V174-V182 HydrophobicContact CG2-CG1 4.17Å; C176-V182 HydrophobicContact CB-CG2 3.92Å; V182-V190 WeakPolarHBondContact O-CA 3.5Å; V182-T191 PolarHBondContact N-O 3.33Å; V182-T191 PolarHBondContact O-N 2.84Å; V182-T191 PolarHBondContact O-OG1 3.03Å |
| 183 | V | 98.9 | Very high | 98.8 | Very high | 22 Ų | 22 | 39 Ų | 39 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.4 | -178.9 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | I181 E185 I189 V190 R214 L218 | I181-V183 HydrophobicContact CD1-CG2 3.95Å; I181-V183 HydrophobicContact CG1-CG2 4.22Å; V183-E185 HydrophobicContact CG1-CG 4.18Å; V183-E185 WeakPolarHBondContact CG1-OE1 3.25Å; V183-I189 CarbonylContact C-O 3.59Å; V183-I189 WeakPolarHBondContact CA-O 3.27Å; V183-V190 HydrophobicContact CG1-CG2 4.37Å; V183-V190 HydrophobicContact CG2-CG1 4.31Å; V183-V190 HydrophobicContact CG2-CG2 4.42Å; V183-R214 HydrophobicContact CG2-CG 3.9Å; V183-L218 HydrophobicContact CG1-CD1 4.32Å |
| 184 | D | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 99.4 | 158.8 | -167.7 | -54.3 | 0 | 0 | 0 | 107.8 | L152 R153 D186 N187 K188 I189 | L152-D184 WeakPolarHBondContact CA-OD2 3.49Å; L152-D184 HydrophobicContact CD2-CB 4.45Å; L152-D184 WeakPolarHBondContact CD2-OD2 3.39Å; R153-D184 HydrophobicContact CB-CB 4.18Å; R153-D184 PolarHBondContact N-OD2 2.88Å; D184-D186 PolarHBondContact OD1-N 2.91Å; D184-N187 HydrophobicContact CB-CB 4.42Å; D184-N187 WeakPolarHBondContact OD1-CB 3.42Å; D184-N187 PolarHBondContact OD1-N 2.79Å; D184-N187 PolarHBondContact OD1-ND2 2.87Å; D184-N187 PolarHBondContact OD2-ND2 2.94Å; D184-K188 VanDerWaalsContact O-CA 3.31Å; D184-K188 WeakPolarHBondContact O-CA 3.24Å; D184-K188 PolarHBondContact O-N 2.8Å; D184-I189 HydrophobicContact CB-CB 4.22Å; D184-I189 PolarHBondContact N-O 3.5Å; D184-I189 PolarHBondContact O-N 3.39Å; D184-I189 VanDerWaalsContact O-N 3.07Å |
| 185 | E | 98.3 | Very high | 98.8 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 45% | 0.453 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -39.6 | -172.4 | -65.5 | -68.3 | 173.7 | 0 | 0 | 112.4 | V183 N187 K188 R214 | V183-E185 HydrophobicContact CG1-CG 4.18Å; V183-E185 WeakPolarHBondContact CG1-OE1 3.25Å; E185-N187 VanDerWaalsContact C-N 3.32Å; E185-N187 PolarHBondContact O-N 2.91Å; E185-K188 PolarHBondContact O-N 2.7Å; E185-R214 IonicContact OE1-CZ 3.9Å; E185-R214 IonicContact OE1-NE 2.99Å; E185-R214 IonicContact OE1-NH2 3.86Å; E185-R214 PolarHBondContact OE1-NH2 2.72Å; E185-R214 IonicContact OE2-CZ 3.98Å; E185-R214 IonicContact OE2-NH2 3.95Å; E185-R214 PolarHBondContact OE2-NH2 3.03Å |
| 186 | D | 98 | Very high | 98.8 | Very high | 158 Ų | 158 | 37.7 Ų | 37.7 | 85% | 0.845 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -35.5 | -177.8 | -71.5 | -14 | 0 | 0 | 0 | 111.1 | D184 | D184-D186 PolarHBondContact OD1-N 2.91Š|
| 187 | N | 98.7 | Very high | 98.8 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 17% | 0.166 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -2.7 | -179.6 | -62.3 | -74.6 | 0 | 0 | 0 | 114 | H128 F150 L152 D184 E185 I189 | H128-N187 PolarHBondContact NE2-OD1 2.96Å; F150-N187 WeakPolarHBondContact CE2-OD1 3.47Å; L152-N187 HydrophobicContact CD2-CB 3.6Å; L152-N187 WeakPolarHBondContact CD2-ND2 3.22Å; D184-N187 HydrophobicContact CB-CB 4.42Å; D184-N187 WeakPolarHBondContact OD1-CB 3.42Å; D184-N187 PolarHBondContact OD1-N 2.79Å; D184-N187 PolarHBondContact OD1-ND2 2.87Å; D184-N187 PolarHBondContact OD2-ND2 2.94Å; E185-N187 VanDerWaalsContact C-N 3.32Å; E185-N187 PolarHBondContact O-N 2.91Å; N187-I189 VanDerWaalsContact C-N 3.28Å; N187-I189 HydrophobicContact CB-CD1 4.17Å; N187-I189 HydrophobicContact CB-CG1 3.98Å; N187-I189 WeakPolarHBondContact O-CG1 3.34Å; N187-I189 PolarHBondContact O-N 3.36Å |
| 188 | K | 98.7 | Very high | 98.7 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 41.9 | -176.1 | -62.9 | 173.1 | 168.3 | -83 | 0 | 113.1 | G131 P133 L134 D184 E185 L218 | G131-K188 WeakPolarHBondContact O-CD 3.23Å; G131-K188 WeakPolarHBondContact O-CE 3.44Å; P133-K188 VanDerWaalsContact CA-O 3.24Å; P133-K188 WeakPolarHBondContact CA-O 3.23Å; P133-K188 HydrophobicContact CB-CB 4.1Å; P133-K188 WeakPolarHBondContact CB-O 3.16Å; L134-K188 PolarHBondContact N-O 2.99Å; D184-K188 VanDerWaalsContact O-CA 3.31Å; D184-K188 WeakPolarHBondContact O-CA 3.24Å; D184-K188 PolarHBondContact O-N 2.8Å; E185-K188 PolarHBondContact O-N 2.7Å; K188-L218 HydrophobicContact CB-CD1 4.3Å; K188-L218 HydrophobicContact CG-CD2 4.33Å; K188-L218 PolarHBondContact NZ-O 3.49Å |
| 189 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.3 | 179.1 | -55.7 | -170.7 | 0 | 0 | 0 | 109.3 | L134 L144 F148 L152 V183 D184 N187 T191 | L134-I189 HydrophobicContact CB-CG1 4.29Å; L134-I189 HydrophobicContact CD1-CD1 4.26Å; L134-I189 HydrophobicContact CD1-CG1 4.37Å; L134-I189 CarbonylContact O-C 3.47Å; L134-I189 WeakPolarHBondContact O-CA 3.17Å; L144-I189 HydrophobicContact CD1-CG2 3.75Å; L144-I189 HydrophobicContact CD2-CD1 4.2Å; L144-I189 HydrophobicContact CD2-CG2 4.16Å; F148-I189 HydrophobicContact CD2-CD1 4.13Å; F148-I189 HydrophobicContact CE2-CD1 3.89Å; L152-I189 HydrophobicContact CD1-CD1 3.61Å; L152-I189 HydrophobicContact CD2-CD1 3.61Å; L152-I189 HydrophobicContact CD2-CG1 4.43Å; L152-I189 HydrophobicContact CG-CD1 4.25Å; V183-I189 CarbonylContact C-O 3.59Å; V183-I189 WeakPolarHBondContact CA-O 3.27Å; D184-I189 HydrophobicContact CB-CB 4.22Å; D184-I189 PolarHBondContact N-O 3.5Å; D184-I189 PolarHBondContact O-N 3.39Å; D184-I189 VanDerWaalsContact O-N 3.07Å; N187-I189 VanDerWaalsContact C-N 3.28Å; N187-I189 HydrophobicContact CB-CD1 4.17Å; N187-I189 HydrophobicContact CB-CG1 3.98Å; N187-I189 WeakPolarHBondContact O-CG1 3.34Å; N187-I189 PolarHBondContact O-N 3.36Å; I189-T191 HydrophobicContact CG2-CG2 4.37Å |
| 190 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.1 | -179.4 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | L134 G135 F136 I181 V182 V183 L211 R214 V215 L218 | L134-V190 PolarHBondContact O-N 3.22Å; G135-V190 CarbonylContact C-O 3.54Å; G135-V190 WeakPolarHBondContact CA-O 3.33Å; F136-V190 PolarHBondContact N-O 2.82Å; I181-V190 HydrophobicContact CB-CG1 4.19Å; I181-V190 HydrophobicContact CD1-CG1 3.95Å; V182-V190 WeakPolarHBondContact O-CA 3.5Å; V183-V190 HydrophobicContact CG1-CG2 4.37Å; V183-V190 HydrophobicContact CG2-CG1 4.31Å; V183-V190 HydrophobicContact CG2-CG2 4.42Å; V190-L211 HydrophobicContact CB-CG 4.33Å; V190-L211 HydrophobicContact CG1-CB 4.25Å; V190-L211 HydrophobicContact CG1-CD1 4.26Å; V190-L211 HydrophobicContact CG1-CG 3.8Å; V190-R214 HydrophobicContact CG1-CB 4.28Å; V190-R214 HydrophobicContact CG1-CG 4.31Å; V190-R214 HydrophobicContact CG2-CB 4.35Å; V190-R214 HydrophobicContact CG2-CG 3.87Å; V190-V215 HydrophobicContact CB-CG2 3.96Å; V190-V215 HydrophobicContact CG2-CG2 3.85Å; V190-L218 HydrophobicContact CG2-CD1 3.7Å |
| 191 | T | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | F136 P141 L144 L154 T155 I181 V182 I189 | F136-T191 HydrophobicContact CB-CG2 4.25Å; F136-T191 WeakPolarHBondContact O-CA 3.47Å; P141-T191 HydrophobicContact CB-CG2 3.95Å; P141-T191 HydrophobicContact CG-CG2 3.75Å; L144-T191 HydrophobicContact CD1-CG2 3.87Å; L154-T191 HydrophobicContact CB-CG2 4.1Å; T155-T191 PolarHBondContact N-OG1 3.29Å; I181-T191 CarbonylContact C-O 3.59Å; I181-T191 VanDerWaalsContact CA-O 3.25Å; I181-T191 WeakPolarHBondContact CA-O 3.43Å; I181-T191 WeakPolarHBondContact CB-O 3.4Å; V182-T191 PolarHBondContact N-O 3.33Å; V182-T191 PolarHBondContact O-N 2.84Å; V182-T191 PolarHBondContact O-OG1 3.03Å; I189-T191 HydrophobicContact CG2-CG2 4.37Å |
| 192 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 146.2 | 176.2 | -168.2 | 0 | 0 | 0 | 0 | 111.1 | F136 M137 C138 D180 I208 L211 | F136-T192 PolarHBondContact O-N 3.26Å; M137-T192 CarbonylContact C-O 3.56Å; M137-T192 VanDerWaalsContact CA-O 3.25Å; M137-T192 WeakPolarHBondContact CA-O 3.28Å; M137-T192 HydrophobicContact CB-CG2 3.63Å; C138-T192 PolarHBondContact N-O 3.09Å; D180-T192 PolarHBondContact O-OG1 2.8Å; T192-I208 HydrophobicContact CG2-CG1 4.43Å; T192-L211 HydrophobicContact CG2-CB 4.02Å; T192-L211 HydrophobicContact CG2-CD1 3.52Å; T192-L211 HydrophobicContact CG2-CG 4.41Å |
| 193 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -71.9 | -30.9 | -173.2 | -20.4 | 34.2 | 0 | 0 | 0 | 115.3 | C138 T155 C176 Y195 M196 L197 | C138-P193 WeakPolarHBondContact CA-O 3.44Å; T155-P193 HydrophobicContact CG2-CG 4.34Å; C176-P193 HydrophobicContact CB-CG 4.01Å; C176-P193 WeakPolarHBondContact O-CG 3.4Å; P193-Y195 PolarHBondContact O-N 3.49Å; P193-M196 HydrophobicContact CB-CB 4.31Å; P193-M196 VanDerWaalsContact O-CB 3.31Å; P193-M196 WeakPolarHBondContact O-CB 3.4Å; P193-M196 PolarHBondContact O-N 2.9Å; P193-L197 HydrophobicContact CB-CB 4.4Å; P193-L197 HydrophobicContact CB-CD1 3.82Å; P193-L197 HydrophobicContact CB-CG 3.98Å; P193-L197 HydrophobicContact CG-CD1 4.01Å | ||
| 194 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | 42.6 | -126.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E24 M137 C138 M196 L197 A198 I208 | E24-A194 HydrophobicContact CG-CB 4.01Å; E24-A194 WeakPolarHBondContact OE1-CB 3.47Å; M137-A194 HydrophobicContact CB-CB 4.44Å; C138-A194 HydrophobicContact CB-CB 4.21Å; A194-M196 PolarHBondContact O-N 3.37Å; A194-M196 VanDerWaalsContact O-N 3.14Å; A194-L197 PolarHBondContact O-N 2.8Å; A194-L197 VanDerWaalsContact O-N 3.08Å; A194-A198 WeakPolarHBondContact O-CB 3.42Å; A194-A198 PolarHBondContact O-N 3.04Å; A194-I208 HydrophobicContact CB-CD1 4.23Å; A194-I208 HydrophobicContact CB-CG1 4.31Å |
| 195 | Y | 98.8 | Very high | 98.7 | Very high | 65 Ų | 65 | 47 Ų | 47 | 26% | 0.255 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -71.7 | 0.4 | -177.8 | -77.7 | -78.4 | 0 | 0 | 0 | 115.9 | E21 H23 E24 P193 L197 A198 I201 A204 | E21-Y195 HydrophobicContact CG-CD2 3.86Å; E21-Y195 HydrophobicContact CG-CE2 4.37Å; E21-Y195 WeakPolarHBondContact OE2-CE2 3.25Å; H23-Y195 HydrophobicContact CB-CE2 3.83Å; H23-Y195 AromaticContact ND1-CZ 3.71Å; H23-Y195 PolarHBondContact ND1-OH 3.43Å; E24-Y195 HydrophobicContact CG-CD2 3.75Å; E24-Y195 HydrophobicContact CG-CE2 4.16Å; E24-Y195 WeakPolarHBondContact OE1-CD2 3.5Å; E24-Y195 PolarHBondContact OE1-N 2.87Å; P193-Y195 PolarHBondContact O-N 3.49Å; Y195-L197 PolarHBondContact O-N 3.03Å; Y195-A198 HydrophobicContact CD1-CB 4.04Å; Y195-A198 HydrophobicContact CE1-CB 4.31Å; Y195-A198 HydrophobicContact CG-CB 4.45Å; Y195-I201 WeakPolarHBondContact OH-CA 3.16Å; Y195-A204 HydrophobicContact CD2-CB 4.2Å; Y195-A204 HydrophobicContact CE2-CB 3.73Å |
| 196 | M | 98.7 | Very high | 98.7 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -61 | -27 | 162.5 | -71.8 | -66.4 | -67.7 | 0 | 0 | 111.4 | C138 I139 I156 D159 P193 A194 | C138-M196 HydrophobicContact CB-CG 4.41Å; I139-M196 HydrophobicContact CB-SD 4.44Å; I139-M196 HydrophobicContact CD1-SD 4.33Å; I156-M196 HydrophobicContact CB-CE 4.39Å; I156-M196 HydrophobicContact CD1-CE 4.3Å; I156-M196 WeakPolarHBondContact O-CB 3.36Å; I156-M196 WeakPolarHBondContact O-CG 3.34Å; D159-M196 HydrophobicContact CB-CE 4.36Å; P193-M196 HydrophobicContact CB-CB 4.31Å; P193-M196 VanDerWaalsContact O-CB 3.31Å; P193-M196 WeakPolarHBondContact O-CB 3.4Å; P193-M196 PolarHBondContact O-N 2.9Å; A194-M196 PolarHBondContact O-N 3.37Å; A194-M196 VanDerWaalsContact O-N 3.14Å |
| 197 | L | 98.7 | Very high | 98.8 | Very high | 44 Ų | 44 | 37 Ų | 37 | 23% | 0.23 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -30.1 | -178.8 | -63.2 | -179.7 | 0 | 0 | 0 | 114.2 | T158 C176 V178 P193 A194 Y195 Q199 | T158-L197 HydrophobicContact CG2-CD1 4.38Å; C176-L197 VanDerWaalsContact O-CD1 3.25Å; C176-L197 WeakPolarHBondContact O-CD1 3.43Å; V178-L197 HydrophobicContact CB-CB 3.89Å; V178-L197 HydrophobicContact CG2-CB 4.28Å; P193-L197 HydrophobicContact CB-CB 4.4Å; P193-L197 HydrophobicContact CB-CD1 3.82Å; P193-L197 HydrophobicContact CB-CG 3.98Å; P193-L197 HydrophobicContact CG-CD1 4.01Å; A194-L197 PolarHBondContact O-N 2.8Å; A194-L197 VanDerWaalsContact O-N 3.08Å; Y195-L197 PolarHBondContact O-N 3.03Å; L197-Q199 PolarHBondContact O-N 3.47Å; L197-Q199 PolarHBondContact O-NE2 3.23Å |
| 198 | A | 98.5 | Very high | 98.8 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | trans | -59.3 | 130.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V178 A194 Y195 E203 A204 | V178-A198 HydrophobicContact CG2-CB 3.61Å; A194-A198 WeakPolarHBondContact O-CB 3.42Å; A194-A198 PolarHBondContact O-N 3.04Å; Y195-A198 HydrophobicContact CD1-CB 4.04Å; Y195-A198 HydrophobicContact CE1-CB 4.31Å; Y195-A198 HydrophobicContact CG-CB 4.45Å; A198-E203 HydrophobicContact CB-CB 4.08Å; A198-A204 HydrophobicContact CB-CB 3.82Å | ||
| 199 | Q | 98.6 | Very high | 98.8 | Very high | 161 Ų | 161 | 35.2 Ų | 35.2 | 75% | 0.752 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -93.6 | -12 | 174.5 | -59.4 | -56.6 | -63.1 | 0 | 0 | 112.6 | L197 E203 | L197-Q199 PolarHBondContact O-N 3.47Å; L197-Q199 PolarHBondContact O-NE2 3.23Å; Q199-E203 PolarHBondContact N-OE2 3Å |
| 200 | N | 98.7 | Very high | 98.8 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -156 | 168.2 | 177 | 59.9 | 72.9 | 0 | 0 | 0 | 111 | A202 E203 A204 | N200-A202 VanDerWaalsContact C-N 3.28Å; N200-A202 PolarHBondContact O-N 3.32Å; N200-A202 WeakPolarHBondContact OD1-CB 3.45Å; N200-A202 PolarHBondContact OD1-N 2.95Å; N200-A202 VanDerWaalsContact OD1-N 3.09Å; N200-E203 VanDerWaalsContact ND2-CD 3.31Å; N200-E203 PolarHBondContact ND2-OE1 3.48Å; N200-E203 PolarHBondContact O-N 2.94Å; N200-E203 PolarHBondContact OD1-N 3.47Å; N200-A204 PolarHBondContact O-N 3.48Å |
| 201 | I | 98.7 | Very high | 98.8 | Very high | 83 Ų | 83 | 39.1 Ų | 39.1 | 43% | 0.426 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.2 | -28.5 | -176.8 | -167.4 | 170.6 | 0 | 0 | 0 | 113.9 | H23 L27 Y195 A204 A205 | H23-I201 HydrophobicContact CB-CD1 4.05Å; H23-I201 HydrophobicContact CB-CG1 4.21Å; L27-I201 HydrophobicContact CD1-CG1 3.99Å; Y195-I201 WeakPolarHBondContact OH-CA 3.16Å; I201-A204 PolarHBondContact O-N 3.48Å; I201-A205 WeakPolarHBondContact O-CB 3.44Å; I201-A205 PolarHBondContact O-N 2.71Å |
| 202 | A | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 56% | 0.562 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -72.8 | -37.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N200 A205 S206 | N200-A202 VanDerWaalsContact C-N 3.28Å; N200-A202 PolarHBondContact O-N 3.32Å; N200-A202 WeakPolarHBondContact OD1-CB 3.45Å; N200-A202 PolarHBondContact OD1-N 2.95Å; N200-A202 VanDerWaalsContact OD1-N 3.09Å; A202-A205 PolarHBondContact O-N 3.4Å; A202-S206 PolarHBondContact O-N 2.81Å |
| 203 | E | 98.8 | Very high | 98.8 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 171.1 | -74.3 | 169.7 | -154.9 | 0 | 0 | 111.8 | V178 A198 Q199 N200 A205 S206 | V178-E203 HydrophobicContact CG1-CB 4.12Å; V178-E203 HydrophobicContact CG1-CG 4.43Å; V178-E203 HydrophobicContact CG2-CB 4.13Å; A198-E203 HydrophobicContact CB-CB 4.08Å; Q199-E203 PolarHBondContact N-OE2 3Å; N200-E203 VanDerWaalsContact ND2-CD 3.31Å; N200-E203 PolarHBondContact ND2-OE1 3.48Å; N200-E203 PolarHBondContact O-N 2.94Å; N200-E203 PolarHBondContact OD1-N 3.47Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.02Å; E203-S206 PolarHBondContact O-N 3.24Å; E203-S206 PolarHBondContact O-OG 3.39Å |
| 204 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L27 Y195 A198 N200 I201 S206 I208 | L27-A204 HydrophobicContact CD1-CB 4.41Å; Y195-A204 HydrophobicContact CD2-CB 4.2Å; Y195-A204 HydrophobicContact CE2-CB 3.73Å; A198-A204 HydrophobicContact CB-CB 3.82Å; N200-A204 PolarHBondContact O-N 3.48Å; I201-A204 PolarHBondContact O-N 3.48Å; A204-S206 PolarHBondContact O-N 3Å; A204-I208 HydrophobicContact CB-CD1 4.46Å; A204-I208 WeakPolarHBondContact O-CD1 3.37Å; A204-I208 WeakPolarHBondContact O-CG1 3.48Å; A204-I208 PolarHBondContact O-N 3.43Å |
| 205 | A | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -36 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L27 I201 A202 E203 I208 D209 | L27-A205 HydrophobicContact CD1-CB 3.85Å; L27-A205 HydrophobicContact CD2-CB 3.71Å; L27-A205 HydrophobicContact CG-CB 4.38Å; I201-A205 WeakPolarHBondContact O-CB 3.44Å; I201-A205 PolarHBondContact O-N 2.71Å; A202-A205 PolarHBondContact O-N 3.4Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.02Å; A205-I208 PolarHBondContact O-N 3.03Å; A205-D209 WeakPolarHBondContact O-CB 3.42Å; A205-D209 PolarHBondContact O-N 3.1Å |
| 206 | S | 98.7 | Very high | 98.8 | Very high | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.9 | -43.6 | -177 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | D179 A202 E203 A204 K210 | D179-S206 WeakPolarHBondContact CA-OG 3.38Å; D179-S206 VanDerWaalsContact CB-OG 3.23Å; D179-S206 WeakPolarHBondContact CB-OG 3.47Å; A202-S206 PolarHBondContact O-N 2.81Å; E203-S206 PolarHBondContact O-N 3.24Å; E203-S206 PolarHBondContact O-OG 3.39Å; A204-S206 PolarHBondContact O-N 3Å; S206-K210 PolarHBondContact O-N 3.15Å |
| 207 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -42.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | V178 K210 L211 | V178-G207 WeakPolarHBondContact O-CA 3.2Å; G207-K210 PolarHBondContact O-N 2.83Å; G207-L211 PolarHBondContact O-N 3.01Å |
| 208 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 180 | -65.5 | 167.7 | 0 | 0 | 0 | 111.8 | E24 L27 M137 T192 A194 A204 A205 K210 L211 V212 | E24-I208 HydrophobicContact CB-CD1 4.12Å; E24-I208 HydrophobicContact CG-CD1 3.98Å; L27-I208 HydrophobicContact CB-CD1 4.12Å; L27-I208 HydrophobicContact CB-CG2 4.13Å; L27-I208 HydrophobicContact CD1-CD1 4.03Å; M137-I208 HydrophobicContact SD-CD1 4.02Å; M137-I208 HydrophobicContact SD-CG1 3.89Å; T192-I208 HydrophobicContact CG2-CG1 4.43Å; A194-I208 HydrophobicContact CB-CD1 4.23Å; A194-I208 HydrophobicContact CB-CG1 4.31Å; A204-I208 HydrophobicContact CB-CD1 4.46Å; A204-I208 WeakPolarHBondContact O-CD1 3.37Å; A204-I208 WeakPolarHBondContact O-CG1 3.48Å; A204-I208 PolarHBondContact O-N 3.43Å; A205-I208 PolarHBondContact O-N 3.03Å; I208-K210 VanDerWaalsContact C-N 3.29Å; I208-K210 PolarHBondContact O-N 3.06Å; I208-L211 PolarHBondContact O-N 2.99Å; I208-V212 HydrophobicContact CG2-CG2 4.3Å; I208-V212 WeakPolarHBondContact O-CG2 3.46Å; I208-V212 PolarHBondContact O-N 2.98Å |
| 209 | D | 98.9 | Very high | 98.6 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60 | -40.7 | 176.6 | -83.1 | -14.9 | 0 | 0 | 0 | 110.6 | A31 R34 A205 S213 | A31-D209 WeakPolarHBondContact CB-OD1 2.82Å; R34-D209 IonicContact NH1-OD1 3.4Å; R34-D209 IonicContact NH1-OD2 3.43Å; A205-D209 WeakPolarHBondContact O-CB 3.42Å; A205-D209 PolarHBondContact O-N 3.1Å; D209-S213 VanDerWaalsContact O-CB 3.23Å; D209-S213 WeakPolarHBondContact O-CB 3.25Å; D209-S213 PolarHBondContact O-N 2.74Å |
| 210 | K | 98.9 | Very high | 97.9 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 37% | 0.365 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 173.4 | -77.5 | -176.8 | -177.2 | 179.1 | 0 | 112.4 | D179 D180 I181 S206 G207 I208 S213 R214 | D179-K210 VanDerWaalsContact O-CD 3.27Å; D179-K210 WeakPolarHBondContact O-CD 3.45Å; D179-K210 WeakPolarHBondContact O-CE 3.4Å; D179-K210 PolarHBondContact O-NZ 3.36Å; D180-K210 IonicContact OD1-NZ 3.51Å; D180-K210 PolarHBondContact OD1-NZ 3.01Å; I181-K210 HydrophobicContact CG2-CB 3.76Å; S206-K210 PolarHBondContact O-N 3.15Å; G207-K210 PolarHBondContact O-N 2.83Å; I208-K210 VanDerWaalsContact C-N 3.29Å; I208-K210 PolarHBondContact O-N 3.06Å; K210-S213 PolarHBondContact O-N 3.25Å; K210-R214 WeakPolarHBondContact O-CB 3.22Å; K210-R214 PolarHBondContact O-N 3.28Å |
| 211 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.6 | -51.2 | 178.3 | 177.4 | 151.4 | 0 | 0 | 0 | 110.7 | I93 M137 I181 V190 T192 G207 I208 S213 R214 V215 | I93-L211 HydrophobicContact CD1-CD2 4.14Å; I93-L211 HydrophobicContact CG2-CD2 4.3Å; M137-L211 HydrophobicContact CB-CD1 4.38Å; M137-L211 HydrophobicContact CE-CD2 4.24Å; I181-L211 HydrophobicContact CG2-CB 4.01Å; V190-L211 HydrophobicContact CB-CG 4.33Å; V190-L211 HydrophobicContact CG1-CB 4.25Å; V190-L211 HydrophobicContact CG1-CD1 4.26Å; V190-L211 HydrophobicContact CG1-CG 3.8Å; T192-L211 HydrophobicContact CG2-CB 4.02Å; T192-L211 HydrophobicContact CG2-CD1 3.52Å; T192-L211 HydrophobicContact CG2-CG 4.41Å; G207-L211 PolarHBondContact O-N 3.01Å; I208-L211 PolarHBondContact O-N 2.99Å; L211-S213 VanDerWaalsContact C-N 3.34Å; L211-S213 PolarHBondContact O-N 3.28Å; L211-R214 PolarHBondContact O-N 2.84Å; L211-V215 HydrophobicContact CD2-CG2 4.12Å; L211-V215 WeakPolarHBondContact O-CG2 3.21Å; L211-V215 PolarHBondContact O-N 2.95Å |
| 212 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | -179 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | T28 A31 I32 I93 I208 R214 V215 L216 | T28-V212 HydrophobicContact CG2-CG2 4.39Å; A31-V212 HydrophobicContact CB-CB 3.79Å; A31-V212 HydrophobicContact CB-CG1 3.71Å; A31-V212 HydrophobicContact CB-CG2 3.9Å; I32-V212 HydrophobicContact CG1-CG1 3.9Å; I93-V212 HydrophobicContact CD1-CG2 3.93Å; I208-V212 HydrophobicContact CG2-CG2 4.3Å; I208-V212 WeakPolarHBondContact O-CG2 3.46Å; I208-V212 PolarHBondContact O-N 2.98Å; V212-R214 PolarHBondContact O-N 3Å; V212-V215 PolarHBondContact O-N 3.17Å; V212-L216 HydrophobicContact CG1-CD1 4.01Å; V212-L216 HydrophobicContact CG1-CG 4.46Å; V212-L216 VanDerWaalsContact O-CG 3.29Å; V212-L216 WeakPolarHBondContact O-CG 3.47Å; V212-L216 PolarHBondContact O-N 3.48Å |
| 213 | S | 98.7 | Very high | 97.7 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 48% | 0.476 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 174.7 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | D209 K210 L211 L216 V217 | D209-S213 VanDerWaalsContact O-CB 3.23Å; D209-S213 WeakPolarHBondContact O-CB 3.25Å; D209-S213 PolarHBondContact O-N 2.74Å; K210-S213 PolarHBondContact O-N 3.25Å; L211-S213 VanDerWaalsContact C-N 3.34Å; L211-S213 PolarHBondContact O-N 3.28Å; S213-L216 PolarHBondContact O-N 2.82Å; S213-V217 WeakPolarHBondContact O-CG2 3.49Å; S213-V217 PolarHBondContact O-N 2.89Å; S213-V217 VanDerWaalsContact O-N 3.08Å |
| 214 | R | 98.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 180 | -174.6 | 59.4 | 175 | 156.2 | -1.8 | 112.5 | I181 V183 E185 V190 K210 L211 V212 L216 V217 L218 | I181-R214 HydrophobicContact CD1-CB 3.57Å; I181-R214 HydrophobicContact CD1-CG 3.81Å; V183-R214 HydrophobicContact CG2-CG 3.9Å; E185-R214 IonicContact OE1-CZ 3.9Å; E185-R214 IonicContact OE1-NE 2.99Å; E185-R214 IonicContact OE1-NH2 3.86Å; E185-R214 PolarHBondContact OE1-NH2 2.72Å; E185-R214 IonicContact OE2-CZ 3.98Å; E185-R214 IonicContact OE2-NH2 3.95Å; E185-R214 PolarHBondContact OE2-NH2 3.03Å; V190-R214 HydrophobicContact CG1-CB 4.28Å; V190-R214 HydrophobicContact CG1-CG 4.31Å; V190-R214 HydrophobicContact CG2-CB 4.35Å; V190-R214 HydrophobicContact CG2-CG 3.87Å; K210-R214 WeakPolarHBondContact O-CB 3.22Å; K210-R214 PolarHBondContact O-N 3.28Å; L211-R214 PolarHBondContact O-N 2.84Å; V212-R214 PolarHBondContact O-N 3Å; R214-L216 VanDerWaalsContact C-N 3.32Å; R214-L216 PolarHBondContact O-N 2.87Å; R214-V217 PolarHBondContact O-N 2.93Å; R214-L218 HydrophobicContact CG-CD1 4.22Å; R214-L218 WeakPolarHBondContact O-CG 3.42Å; R214-L218 PolarHBondContact O-N 3.07Å |
| 215 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 174.8 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | A91 I93 P133 V190 L211 V212 V217 L218 A219 | A91-V215 HydrophobicContact CB-CG1 3.51Å; I93-V215 HydrophobicContact CD1-CB 4.45Å; I93-V215 HydrophobicContact CD1-CG1 4.2Å; I93-V215 HydrophobicContact CG1-CG1 4.26Å; P133-V215 HydrophobicContact CB-CG1 4.33Å; P133-V215 HydrophobicContact CG-CG1 4.09Å; P133-V215 WeakPolarHBondContact CG-O 3.22Å; V190-V215 HydrophobicContact CB-CG2 3.96Å; V190-V215 HydrophobicContact CG2-CG2 3.85Å; L211-V215 HydrophobicContact CD2-CG2 4.12Å; L211-V215 WeakPolarHBondContact O-CG2 3.21Å; L211-V215 PolarHBondContact O-N 2.95Å; V212-V215 PolarHBondContact O-N 3.17Å; V215-V217 PolarHBondContact O-N 3.04Å; V215-L218 PolarHBondContact O-N 3.37Å; V215-A219 WeakPolarHBondContact O-CB 3.28Å; V215-A219 PolarHBondContact O-N 2.75Å |
| 216 | L | 98.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 14% | 0.141 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 177.9 | -71.9 | 169.1 | 0 | 0 | 0 | 112.4 | I7 S35 A37 V212 S213 R214 A219 | I7-L216 HydrophobicContact CD1-CD2 3.65Å; I7-L216 HydrophobicContact CG1-CD2 4.08Å; S35-L216 WeakPolarHBondContact OG-CD1 3.46Å; A37-L216 HydrophobicContact CB-CD2 3.99Å; V212-L216 HydrophobicContact CG1-CD1 4.01Å; V212-L216 HydrophobicContact CG1-CG 4.46Å; V212-L216 VanDerWaalsContact O-CG 3.29Å; V212-L216 WeakPolarHBondContact O-CG 3.47Å; V212-L216 PolarHBondContact O-N 3.48Å; S213-L216 PolarHBondContact O-N 2.82Å; R214-L216 VanDerWaalsContact C-N 3.32Å; R214-L216 PolarHBondContact O-N 2.87Å; L216-A219 PolarHBondContact O-N 3.12Å |
| 217 | V | 98.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 42% | 0.418 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 174.7 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | S213 R214 V215 A219 E220 | S213-V217 WeakPolarHBondContact O-CG2 3.49Å; S213-V217 PolarHBondContact O-N 2.89Å; S213-V217 VanDerWaalsContact O-N 3.08Å; R214-V217 PolarHBondContact O-N 2.93Å; V215-V217 PolarHBondContact O-N 3.04Å; V217-A219 PolarHBondContact O-N 3.1Å; V217-E220 PolarHBondContact O-N 3.27Å |
| 218 | L | 98.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.8 | -19.1 | 179.6 | -70.8 | 172.3 | 0 | 0 | 0 | 113.5 | P133 V183 K188 V190 R214 V215 E220 | P133-L218 HydrophobicContact CB-CB 3.66Å; P133-L218 HydrophobicContact CB-CD1 4.25Å; P133-L218 HydrophobicContact CG-CB 3.87Å; V183-L218 HydrophobicContact CG1-CD1 4.32Å; K188-L218 HydrophobicContact CB-CD1 4.3Å; K188-L218 HydrophobicContact CG-CD2 4.33Å; K188-L218 PolarHBondContact NZ-O 3.49Å; V190-L218 HydrophobicContact CG2-CD1 3.7Å; R214-L218 HydrophobicContact CG-CD1 4.22Å; R214-L218 WeakPolarHBondContact O-CG 3.42Å; R214-L218 PolarHBondContact O-N 3.07Å; V215-L218 PolarHBondContact O-N 3.37Å; L218-E220 VanDerWaalsContact C-N 3.34Å |
| 219 | A | 97 | Very high | 97.2 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -4.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K5 D90 A91 P133 V215 L216 V217 | K5-A219 WeakPolarHBondContact CE-O 3.29Å; K5-A219 PolarHBondContact NZ-O 2.75Å; D90-A219 HydrophobicContact CB-CB 4.48Å; A91-A219 HydrophobicContact CB-CB 4.32Å; P133-A219 HydrophobicContact CG-CB 3.7Å; V215-A219 WeakPolarHBondContact O-CB 3.28Å; V215-A219 PolarHBondContact O-N 2.75Å; L216-A219 PolarHBondContact O-N 3.12Å; V217-A219 PolarHBondContact O-N 3.1Å |
| 220 | E | 82.7 | Confident | 97 | Very high | 201 Ų | 201 | 50 Ų | 50 | 94% | 0.939 | 26% | 0.255 | S | S | * | . | trans | -58.2 | 0 | -178.2 | -72.7 | -170.4 | 177 | 0 | 0 | 113.6 | K5 V217 L218 | K5-E220 PolarHBondContact NZ-OXT 2.94Å; V217-E220 PolarHBondContact O-N 3.27Å; L218-E220 VanDerWaalsContact C-N 3.34Å |
Retrieved 220 of 220 residues in 91.8 ms
(Link to these results)