| 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 | 51.7 | Low | 88.1 | Confident | 244 Ų | 244 | 65.8 Ų | 65.8 | 100% | 1.202 | 33% | 0.332 | S | S | * | . | 0 | 136.2 | 0 | -77.6 | 177.3 | -90 | 0 | 0 | 107 | E3 | M1-E3 PolarHBondContact O-N 3.43Š| |||
| 2 | A | 58.3 | Low | 89 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 81% | 0.81 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 129.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I4 | A2-I4 PolarHBondContact O-N 3.19Š|
| 3 | E | 79.1 | Confident | 89.7 | Confident | 88 Ų | 88 | 57.7 Ų | 57.7 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 123.4 | 175.3 | -176.2 | -179.4 | -133 | 0 | 0 | 109.2 | M1 R5 Q54 | M1-E3 PolarHBondContact O-N 3.43Å; E3-R5 PolarHBondContact O-N 2.88Å; E3-R5 IonicContact OE2-CZ 3.49Å; E3-R5 IonicContact OE2-NE 3.19Å; E3-R5 PolarHBondContact OE2-NE 3.37Å; E3-R5 IonicContact OE2-NH2 2.88Å; E3-R5 PolarHBondContact OE2-NH2 3.16Å; E3-Q54 HydrophobicContact CG-CB 4.02Å; E3-Q54 PolarHBondContact OE1-NE2 3.17Å |
| 4 | I | 94.1 | Very high | 90.1 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 121.5 | 175.9 | -59 | 173.2 | 0 | 0 | 0 | 106.6 | A2 K6 K51 V53 Q54 L179 | A2-I4 PolarHBondContact O-N 3.19Å; I4-K6 HydrophobicContact CG2-CG 4.26Å; I4-K51 HydrophobicContact CD1-CB 4.23Å; I4-K51 HydrophobicContact CD1-CD 4.29Å; I4-K51 HydrophobicContact CD1-CG 4.49Å; I4-V53 HydrophobicContact CB-CG2 4.28Å; I4-V53 HydrophobicContact CG2-CG1 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.3Å; I4-V53 CarbonylContact O-C 3.57Å; I4-V53 VanDerWaalsContact O-CA 3.3Å; I4-V53 WeakPolarHBondContact O-CA 3.39Å; I4-Q54 PolarHBondContact O-N 3.26Å; I4-L179 HydrophobicContact CD1-CD2 4.21Å; I4-L179 HydrophobicContact CG2-CD2 3.8Å |
| 5 | R | 96 | Very high | 90.5 | Very high | 167 Ų | 167 | 55.9 Ų | 55.9 | 63% | 0.63 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.6 | 175.8 | -64.1 | -175.7 | 179.2 | -174.1 | -4.8 | 110.2 | E3 Q54 | E3-R5 PolarHBondContact O-N 2.88Å; E3-R5 IonicContact OE2-CZ 3.49Å; E3-R5 IonicContact OE2-NE 3.19Å; E3-R5 PolarHBondContact OE2-NE 3.37Å; E3-R5 IonicContact OE2-NH2 2.88Å; E3-R5 PolarHBondContact OE2-NH2 3.16Å; R5-Q54 WeakPolarHBondContact CA-O 3.38Å; R5-Q54 HydrophobicContact CG-CB 4.26Å; R5-Q54 VanDerWaalsContact NE-OE1 3.14Å |
| 6 | K | 97.5 | Very high | 90.9 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.9 | 178.2 | -68.9 | -64.7 | 177.4 | 169.9 | 0 | 111.1 | I4 V53 Q54 L55 A56 D78 A178 | I4-K6 HydrophobicContact CG2-CG 4.26Å; K6-V53 HydrophobicContact CB-CG1 4.01Å; K6-V53 HydrophobicContact CG-CG1 3.8Å; K6-Q54 PolarHBondContact N-O 2.83Å; K6-L55 HydrophobicContact CB-CD2 3.9Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.4Å; K6-A56 PolarHBondContact O-N 2.96Å; K6-D78 WeakPolarHBondContact CA-OD2 3.32Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.77Å; K6-D78 WeakPolarHBondContact CD-OD1 3.19Å; K6-D78 WeakPolarHBondContact CD-OD2 3.36Å; K6-D78 IonicContact NZ-OD1 2.99Å; K6-D78 PolarHBondContact NZ-OD1 2.84Å; K6-A178 HydrophobicContact CB-CB 4.34Å; K6-A178 HydrophobicContact CD-CB 4.04Å; K6-A178 WeakPolarHBondContact CE-O 3.31Å; K6-A178 HydrophobicContact CG-CB 4.14Å; K6-A178 PolarHBondContact NZ-O 2.86Å |
| 7 | K | 97.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 10% | 0.104 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 122.8 | 176.4 | 178 | 170.7 | 171.4 | 172.5 | 0 | 110.3 | V9 W58 S73 P75 D78 V79 | K7-V9 HydrophobicContact CG-CG2 4.37Å; K7-W58 VanDerWaalsContact CE-CE2 3.46Å; K7-S73 WeakPolarHBondContact CE-O 3.3Å; K7-S73 PolarHBondContact NZ-O 3.38Å; K7-P75 WeakPolarHBondContact CE-O 3.42Å; K7-P75 PolarHBondContact NZ-O 3.42Å; K7-D78 PolarHBondContact N-OD2 2.95Å; K7-D78 WeakPolarHBondContact O-CA 3.43Å; K7-D78 WeakPolarHBondContact O-CB 3.27Å; K7-D78 PolarHBondContact O-N 2.84Å; K7-V79 PolarHBondContact O-N 3.29Å |
| 8 | L | 98.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.8 | 175.5 | 178.8 | 159.1 | 0 | 0 | 0 | 108.5 | V10 L22 A56 L57 W58 V79 L81 F171 A174 | L8-V10 HydrophobicContact CD2-CG2 3.53Å; L8-L22 HydrophobicContact CD2-CD2 4.4Å; L8-A56 PolarHBondContact N-O 2.57Å; L8-L57 HydrophobicContact CB-CD2 4.21Å; L8-L57 HydrophobicContact CD1-CD2 4.34Å; L8-L57 HydrophobicContact CD2-CD2 4.09Å; L8-L57 HydrophobicContact CG-CD2 4.46Å; L8-W58 PolarHBondContact O-N 2.97Å; L8-V79 WeakPolarHBondContact CA-O 3.37Å; L8-V79 HydrophobicContact CB-CG1 3.83Å; L8-V79 HydrophobicContact CD1-CG1 3.99Å; L8-V79 HydrophobicContact CG-CG1 3.88Å; L8-L81 HydrophobicContact CD1-CD1 4.07Å; L8-L81 HydrophobicContact CD1-CD2 4.46Å; L8-L81 HydrophobicContact CD1-CG 3.98Å; L8-L81 HydrophobicContact CD2-CD1 3.89Å; L8-L81 HydrophobicContact CD2-CG 3.87Å; L8-L81 HydrophobicContact CG-CD1 4.43Å; L8-L81 HydrophobicContact CG-CG 4.09Å; L8-F171 HydrophobicContact CD1-CD1 4.04Å; L8-F171 HydrophobicContact CD1-CE1 4.18Å; L8-A174 HydrophobicContact CD1-CB 3.84Å |
| 9 | V | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.4 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81 | K7-V9 HydrophobicContact CG-CG2 4.37Å; V9-V11 HydrophobicContact CG1-CG1 4.18Å; V9-W58 HydrophobicContact CB-CB 4.27Å; V9-W58 HydrophobicContact CG1-CB 4.38Å; V9-W58 HydrophobicContact CG2-CB 3.79Å; V9-W58 HydrophobicContact CG2-CG 4.13Å; V9-T60 HydrophobicContact CG1-CG2 3.83Å; V9-S73 WeakPolarHBondContact CG2-O 3.42Å; V9-Y74 HydrophobicContact CG1-CD1 4.18Å; V9-Y74 HydrophobicContact CG1-CE1 4.04Å; V9-T77 HydrophobicContact CB-CG2 4.02Å; V9-T77 HydrophobicContact CG2-CG2 3.7Å; V9-T77 VanDerWaalsContact CG2-OG1 3.24Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.15Å; V9-V79 PolarHBondContact N-O 2.86Å; V9-I80 HydrophobicContact CB-CD1 3.96Å; V9-I80 HydrophobicContact CG1-CD1 4.44Å; V9-I80 WeakPolarHBondContact O-CA 3.31Å; V9-L81 PolarHBondContact O-N 3.16Å |
| 10 | V | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.5 | 177.3 | -166.1 | 0 | 0 | 0 | 0 | 109.8 | L8 K18 L22 W58 T60 L81 C83 | L8-V10 HydrophobicContact CD2-CG2 3.53Å; V10-K18 HydrophobicContact CG1-CB 3.76Å; V10-K18 HydrophobicContact CG1-CD 3.88Å; V10-K18 HydrophobicContact CG1-CG 3.73Å; V10-L22 HydrophobicContact CB-CD1 4.37Å; V10-L22 HydrophobicContact CG2-CD1 3.76Å; V10-L22 HydrophobicContact CG2-CD2 3.55Å; V10-L22 HydrophobicContact CG2-CG 3.86Å; V10-W58 PolarHBondContact N-O 3.19Å; V10-T60 PolarHBondContact O-OG1 3.44Å; V10-L81 WeakPolarHBondContact CA-O 3.38Å; V10-L81 HydrophobicContact CB-CB 4.42Å; V10-L81 HydrophobicContact CG1-CB 4.06Å; V10-L81 HydrophobicContact CG2-CB 4.12Å; V10-L81 HydrophobicContact CG2-CD1 4.18Å; V10-L81 HydrophobicContact CG2-CG 4.49Å; V10-C83 VanDerWaalsContact CG1-SG 3.56Å |
| 11 | V | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 165.4 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | V9 K18 Y74 I80 L81 M82 C83 W99 V103 | V9-V11 HydrophobicContact CG1-CG1 4.18Å; V11-K18 VanDerWaalsContact C-CD 3.5Å; V11-Y74 HydrophobicContact CG1-CE1 3.81Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.39Å; V11-I80 HydrophobicContact CG2-CG2 3.93Å; V11-L81 PolarHBondContact N-O 2.92Å; V11-M82 HydrophobicContact CG2-CB 4.32Å; V11-M82 HydrophobicContact CG2-CE 4.43Å; V11-M82 HydrophobicContact CG2-CG 4.31Å; V11-C83 PolarHBondContact O-N 3.11Å; V11-W99 HydrophobicContact CB-CE3 3.87Å; V11-W99 HydrophobicContact CB-CZ3 4.08Å; V11-W99 HydrophobicContact CG2-CE3 4.23Å; V11-V103 HydrophobicContact CG2-CG2 3.89Å |
| 12 | G | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.5 | 168.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K18 G62 C83 W99 | G12-K18 PolarHBondContact O-NZ 3.15Å; G12-G62 WeakPolarHBondContact O-CA 3.42Å; G12-C83 VanDerWaalsContact CA-O 3.22Å; G12-C83 WeakPolarHBondContact CA-O 3.46Å; G12-W99 VanDerWaalsContact CA-CE2 3.41Å; G12-W99 WeakPolarHBondContact O-CH2 3.09Å; G12-W99 WeakPolarHBondContact O-CZ2 3.46Å |
| 13 | D | 98.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 29.2 Ų | 29.2 | 14% | 0.139 | 16% | 0.159 | C | C | . | . | trans | -55.6 | 158.3 | -174 | -78.2 | 13.2 | 0 | 0 | 0 | 114.4 | C16 K18 S91 N94 W99 | D13-C16 HydrophobicContact CB-CB 4.4Å; D13-C16 PolarHBondContact O-N 3.01Å; D13-C16 PolarHBondContact O-SG 2.91Å; D13-K18 PolarHBondContact O-NZ 2.94Å; D13-S91 VanDerWaalsContact OD2-CA 3.31Å; D13-S91 WeakPolarHBondContact OD2-CA 3.5Å; D13-S91 WeakPolarHBondContact OD2-CB 3.43Å; D13-N94 PolarHBondContact OD2-ND2 3.22Å; D13-W99 PolarHBondContact OD1-NE1 2.93Å | ||
| 14 | G | 95.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 33% | 0.33 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 141.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | C16 | G14-C16 PolarHBondContact O-N 3.18Š|
| 15 | A | 95.6 | Very high | 97.4 | Very high | 57 Ų | 57 | 23.8 Ų | 23.8 | 47% | 0.471 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 11.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G17 K118 | A15-G17 PolarHBondContact O-N 3.22Å; A15-K118 WeakPolarHBondContact O-CE 3.44Å; A15-K118 PolarHBondContact O-NZ 3.04Å |
| 16 | C | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.02 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -76.3 | -1.1 | 176.6 | 79.2 | 0 | 0 | 0 | 0 | 114.2 | D13 G14 K18 N117 | D13-C16 HydrophobicContact CB-CB 4.4Å; D13-C16 PolarHBondContact O-N 3.01Å; D13-C16 PolarHBondContact O-SG 2.91Å; G14-C16 PolarHBondContact O-N 3.18Å; C16-K18 VanDerWaalsContact SG-CG 3.59Å; C16-N117 WeakPolarHBondContact O-CB 3.33Å; C16-N117 PolarHBondContact O-ND2 3.32Å |
| 17 | G | 97.7 | Very high | 97 | Very high | 16 Ų | 16 | 21.8 Ų | 21.8 | 17% | 0.165 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 99.1 | 11.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | A15 T19 C20 L21 | A15-G17 PolarHBondContact O-N 3.22Å; G17-T19 PolarHBondContact O-N 3.36Å; G17-C20 PolarHBondContact O-N 3.29Å; G17-L21 WeakPolarHBondContact O-CB 3.32Å; G17-L21 PolarHBondContact O-N 3.09Å |
| 18 | K | 98 | Very high | 96.7 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -50.6 | -51.8 | 178 | -57.6 | -173.1 | -62.4 | -74.4 | 0 | 113.2 | V10 V11 G12 D13 C16 L21 L22 T60 C83 | V10-K18 HydrophobicContact CG1-CB 3.76Å; V10-K18 HydrophobicContact CG1-CD 3.88Å; V10-K18 HydrophobicContact CG1-CG 3.73Å; V11-K18 VanDerWaalsContact C-CD 3.5Å; G12-K18 PolarHBondContact O-NZ 3.15Å; D13-K18 PolarHBondContact O-NZ 2.94Å; C16-K18 VanDerWaalsContact SG-CG 3.59Å; K18-L21 WeakPolarHBondContact O-CB 3.11Å; K18-L21 PolarHBondContact O-N 2.72Å; K18-L22 WeakPolarHBondContact O-CG 3.42Å; K18-L22 PolarHBondContact O-N 2.76Å; K18-T60 WeakPolarHBondContact CE-O 3.48Å; K18-C83 HydrophobicContact CG-CB 4.04Å |
| 19 | T | 96.7 | Very high | 96.4 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 21% | 0.209 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | -177.7 | -47 | 0 | 0 | 0 | 0 | 111.9 | G17 L21 L22 I23 T37 D59 | G17-T19 PolarHBondContact O-N 3.36Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-L21 PolarHBondContact O-N 3.16Å; T19-L22 PolarHBondContact O-N 3.08Å; T19-I23 HydrophobicContact CG2-CD1 3.7Å; T19-I23 HydrophobicContact CG2-CG1 4.33Å; T19-I23 WeakPolarHBondContact O-CB 3.42Å; T19-I23 VanDerWaalsContact O-CG1 3.29Å; T19-I23 WeakPolarHBondContact O-CG1 3.32Å; T19-I23 PolarHBondContact O-N 3.29Å; T19-T37 PolarHBondContact OG1-OG1 3.02Å; T19-D59 WeakPolarHBondContact CA-OD2 3.41Å; T19-D59 VanDerWaalsContact CB-OD2 3.25Å; T19-D59 WeakPolarHBondContact CB-OD2 3.43Å; T19-D59 VanDerWaalsContact CG2-OD2 3.32Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.38Å; T19-D59 PolarHBondContact OG1-OD2 3.17Å |
| 20 | C | 97.1 | Very high | 96 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | G17 V24 F30 P31 A161 | G17-C20 PolarHBondContact O-N 3.29Å; C20-V24 WeakPolarHBondContact O-CB 3.38Å; C20-V24 VanDerWaalsContact O-CG2 3.25Å; C20-V24 WeakPolarHBondContact O-CG2 3.39Å; C20-V24 PolarHBondContact O-N 3.43Å; C20-F30 HydrophobicContact CB-CD2 4.43Å; C20-F30 HydrophobicContact CB-CE2 3.88Å; C20-P31 HydrophobicContact CB-CG 4.4Å; C20-A161 HydrophobicContact CB-CB 3.79Å |
| 21 | L | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 175.8 | 170.7 | 62.8 | 0 | 0 | 0 | 111.4 | G17 K18 T19 F25 L81 V115 I167 F171 | G17-L21 WeakPolarHBondContact O-CB 3.32Å; G17-L21 PolarHBondContact O-N 3.09Å; K18-L21 WeakPolarHBondContact O-CB 3.11Å; K18-L21 PolarHBondContact O-N 2.72Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-L21 PolarHBondContact O-N 3.16Å; L21-F25 WeakPolarHBondContact O-CB 3.39Å; L21-F25 PolarHBondContact O-N 3.35Å; L21-L81 HydrophobicContact CD2-CD1 4.1Å; L21-V115 HydrophobicContact CD2-CG1 4.32Å; L21-I167 HydrophobicContact CD1-CD1 3.41Å; L21-I167 VanDerWaalsContact CD1-CD1 3.41Å; L21-I167 HydrophobicContact CD1-CG2 4.49Å; L21-F171 HydrophobicContact CD1-CE2 3.66Å; L21-F171 HydrophobicContact CD1-CZ 4.15Å; L21-F171 HydrophobicContact CG-CE2 4.07Å; L21-F171 HydrophobicContact CG-CZ 4.03Å |
| 22 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 179.9 | -68.6 | 179.7 | 0 | 0 | 0 | 113.1 | L8 V10 K18 T19 F25 S26 L57 D59 F171 | L8-L22 HydrophobicContact CD2-CD2 4.4Å; V10-L22 HydrophobicContact CB-CD1 4.37Å; V10-L22 HydrophobicContact CG2-CD1 3.76Å; V10-L22 HydrophobicContact CG2-CD2 3.55Å; V10-L22 HydrophobicContact CG2-CG 3.86Å; K18-L22 WeakPolarHBondContact O-CG 3.42Å; K18-L22 PolarHBondContact O-N 2.76Å; T19-L22 PolarHBondContact O-N 3.08Å; L22-F25 PolarHBondContact O-N 3Å; L22-S26 WeakPolarHBondContact O-CB 3.23Å; L22-S26 PolarHBondContact O-N 2.84Å; L22-S26 PolarHBondContact O-OG 2.66Å; L22-L57 HydrophobicContact CD2-CB 4Å; L22-L57 HydrophobicContact CD2-CD1 4.2Å; L22-L57 HydrophobicContact CD2-CD2 4.24Å; L22-L57 HydrophobicContact CD2-CG 4.37Å; L22-D59 HydrophobicContact CD1-CB 3.46Å; L22-D59 VanDerWaalsContact CD1-CB 3.46Å; L22-F171 HydrophobicContact CD2-CE1 3.98Å; L22-F171 HydrophobicContact CD2-CZ 3.93Å |
| 23 | I | 94.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.8 | -47 | -179.3 | -69.3 | 175.7 | 0 | 0 | 0 | 110.4 | T19 F25 S26 K27 E29 P31 Y42 | T19-I23 HydrophobicContact CG2-CD1 3.7Å; T19-I23 HydrophobicContact CG2-CG1 4.33Å; T19-I23 WeakPolarHBondContact O-CB 3.42Å; T19-I23 VanDerWaalsContact O-CG1 3.29Å; T19-I23 WeakPolarHBondContact O-CG1 3.32Å; T19-I23 PolarHBondContact O-N 3.29Å; I23-F25 VanDerWaalsContact C-N 3.28Å; I23-F25 PolarHBondContact O-N 3.32Å; I23-S26 PolarHBondContact O-N 3.02Å; I23-S26 PolarHBondContact O-OG 2.93Å; I23-K27 HydrophobicContact CG2-CB 4.5Å; I23-K27 HydrophobicContact CG2-CD 4.29Å; I23-K27 WeakPolarHBondContact O-CB 2.91Å; I23-K27 PolarHBondContact O-N 2.92Å; I23-E29 WeakPolarHBondContact CG2-O 3.25Å; I23-P31 HydrophobicContact CD1-CB 4.41Å; I23-P31 HydrophobicContact CD1-CG 4.18Å; I23-Y42 HydrophobicContact CG1-CE1 4.24Å |
| 24 | V | 96.8 | Very high | 93 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 179.4 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | C20 D28 E29 F30 A161 K164 I167 | C20-V24 WeakPolarHBondContact O-CB 3.38Å; C20-V24 VanDerWaalsContact O-CG2 3.25Å; C20-V24 WeakPolarHBondContact O-CG2 3.39Å; C20-V24 PolarHBondContact O-N 3.43Å; V24-D28 WeakPolarHBondContact O-CA 3.33Å; V24-D28 PolarHBondContact O-N 2.84Å; V24-E29 VanDerWaalsContact CG2-O 3.32Å; V24-E29 WeakPolarHBondContact CG2-O 3.32Å; V24-F30 HydrophobicContact CG2-CB 4.11Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-A161 HydrophobicContact CB-CB 4.41Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-K164 HydrophobicContact CG1-CG 3.97Å; V24-I167 HydrophobicContact CG1-CG1 4.21Å; V24-I167 HydrophobicContact CG1-CG2 4.41Å |
| 25 | F | 96.7 | Very high | 92.3 | Very high | 32 Ų | 32 | 61 Ų | 61 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 175.9 | 172.7 | -112.3 | 0 | 0 | 0 | 113.3 | L21 L22 I23 A44 I46 L55 L57 I167 F171 | L21-F25 WeakPolarHBondContact O-CB 3.39Å; L21-F25 PolarHBondContact O-N 3.35Å; L22-F25 PolarHBondContact O-N 3Å; I23-F25 VanDerWaalsContact C-N 3.28Å; I23-F25 PolarHBondContact O-N 3.32Å; F25-A44 HydrophobicContact CD1-CB 4.04Å; F25-A44 HydrophobicContact CE1-CB 3.44Å; F25-A44 VanDerWaalsContact CE1-CB 3.44Å; F25-A44 HydrophobicContact CZ-CB 4.11Å; F25-I46 HydrophobicContact CE2-CD1 4.05Å; F25-I46 HydrophobicContact CZ-CB 4.3Å; F25-I46 HydrophobicContact CZ-CD1 3.91Å; F25-I46 HydrophobicContact CZ-CG1 4.37Å; F25-L55 HydrophobicContact CE1-CD1 3.97Å; F25-L55 HydrophobicContact CZ-CD1 4.08Å; F25-L57 HydrophobicContact CD1-CD1 3.79Å; F25-L57 HydrophobicContact CE1-CD1 4.06Å; F25-L57 HydrophobicContact CE1-CD2 4.44Å; F25-I167 HydrophobicContact CB-CG2 3.89Å; F25-I167 HydrophobicContact CD2-CG2 4.43Å; F25-F171 HydrophobicContact CB-CD2 3.7Å; F25-F171 HydrophobicContact CB-CE1 4.36Å; F25-F171 HydrophobicContact CB-CE2 3.26Å; F25-F171 HydrophobicContact CB-CG 4.44Å; F25-F171 HydrophobicContact CB-CZ 3.63Å; F25-F171 AromaticContact CD1-CD1 3.54Å; F25-F171 HydrophobicContact CD1-CD1 3.54Å; F25-F171 AromaticContact CD1-CD2 3.83Å; F25-F171 HydrophobicContact CD1-CD2 3.83Å; F25-F171 AromaticContact CD1-CE1 3.51Å; F25-F171 HydrophobicContact CD1-CE1 3.51Å; F25-F171 AromaticContact CD1-CE2 3.85Å; F25-F171 HydrophobicContact CD1-CE2 3.85Å; F25-F171 AromaticContact CD1-CG 3.7Å; F25-F171 HydrophobicContact CD1-CG 3.7Å; F25-F171 AromaticContact CD1-CZ 3.68Å; F25-F171 HydrophobicContact CD1-CZ 3.68Å; F25-F171 HydrophobicContact CD2-CB 3.93Å; F25-F171 HydrophobicContact CD2-CD1 4.29Å; F25-F171 AromaticContact CD2-CD2 3.3Å; F25-F171 HydrophobicContact CD2-CD2 3.3Å; F25-F171 AromaticContact CD2-CE2 3.86Å; F25-F171 HydrophobicContact CD2-CE2 3.86Å; F25-F171 AromaticContact CD2-CG 3.57Å; F25-F171 HydrophobicContact CD2-CG 3.57Å; F25-F171 HydrophobicContact CE1-CB 4.17Å; F25-F171 AromaticContact CE1-CD1 3.52Å; F25-F171 HydrophobicContact CE1-CD1 3.52Å; F25-F171 HydrophobicContact CE1-CD2 4.29Å; F25-F171 AromaticContact CE1-CE1 3.93Å; F25-F171 HydrophobicContact CE1-CE1 3.93Å; F25-F171 AromaticContact CE1-CG 3.73Å; F25-F171 HydrophobicContact CE1-CG 3.73Å; F25-F171 HydrophobicContact CE1-CZ 4.49Å; F25-F171 HydrophobicContact CE2-CB 3.51Å; F25-F171 HydrophobicContact CE2-CD1 4.29Å; F25-F171 AromaticContact CE2-CD2 3.84Å; F25-F171 HydrophobicContact CE2-CD2 3.84Å; F25-F171 AromaticContact CE2-CG 3.61Å; F25-F171 HydrophobicContact CE2-CG 3.61Å; F25-F171 HydrophobicContact CG-CB 4.44Å; F25-F171 AromaticContact CG-CD1 3.94Å; F25-F171 HydrophobicContact CG-CD1 3.94Å; F25-F171 AromaticContact CG-CD2 3.31Å; F25-F171 HydrophobicContact CG-CD2 3.31Å; F25-F171 AromaticContact CG-CE1 3.96Å; F25-F171 HydrophobicContact CG-CE1 3.96Å; F25-F171 AromaticContact CG-CE2 3.37Å; F25-F171 HydrophobicContact CG-CE2 3.37Å; F25-F171 AromaticContact CG-CG 3.63Å; F25-F171 HydrophobicContact CG-CG 3.63Å; F25-F171 AromaticContact CG-CZ 3.69Å; F25-F171 HydrophobicContact CG-CZ 3.69Å; F25-F171 HydrophobicContact CZ-CB 3.65Å; F25-F171 AromaticContact CZ-CD1 3.93Å; F25-F171 HydrophobicContact CZ-CD1 3.93Å; F25-F171 HydrophobicContact CZ-CD2 4.31Å; F25-F171 AromaticContact CZ-CG 3.7Å; F25-F171 HydrophobicContact CZ-CG 3.7Å |
| 26 | S | 93.3 | Very high | 91.5 | Very high | 37 Ų | 37 | 61.7 Ų | 61.7 | 26% | 0.259 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -85.1 | -26.8 | -174.1 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | L22 I23 | L22-S26 WeakPolarHBondContact O-CB 3.23Å; L22-S26 PolarHBondContact O-N 2.84Å; L22-S26 PolarHBondContact O-OG 2.66Å; I23-S26 PolarHBondContact O-N 3.02Å; I23-S26 PolarHBondContact O-OG 2.93Å |
| 27 | K | 92.5 | Very high | 90.8 | Very high | 128 Ų | 128 | 62.2 Ų | 62.2 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -123.7 | -6.6 | -172.9 | -58.3 | -173.1 | -174.3 | 174.4 | 0 | 114.3 | I23 E29 | I23-K27 HydrophobicContact CG2-CB 4.5Å; I23-K27 HydrophobicContact CG2-CD 4.29Å; I23-K27 WeakPolarHBondContact O-CB 2.91Å; I23-K27 PolarHBondContact O-N 2.92Å; K27-E29 PolarHBondContact O-N 2.93Å |
| 28 | D | 92.1 | Very high | 89.8 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 57.1 | 24.7 | -175.9 | -162.1 | 42 | 0 | 0 | 0 | 114.2 | V24 K164 | V24-D28 WeakPolarHBondContact O-CA 3.33Å; V24-D28 PolarHBondContact O-N 2.84Å; D28-K164 WeakPolarHBondContact O-CE 3.31Å; D28-K164 PolarHBondContact O-NZ 3.1Å; D28-K164 WeakPolarHBondContact OD1-CE 3.31Å; D28-K164 IonicContact OD1-NZ 2.9Å; D28-K164 PolarHBondContact OD1-NZ 3.43Å; D28-K164 IonicContact OD2-NZ 2.86Å; D28-K164 PolarHBondContact OD2-NZ 2.97Å |
| 29 | E | 91.4 | Very high | 88.3 | Confident | 135 Ų | 135 | 67.4 Ų | 67.4 | 63% | 0.631 | 35% | 0.348 | S | S | * | . | trans | -129 | 136.1 | -178 | -173.4 | 179.1 | -176.9 | 0 | 0 | 110.5 | I23 V24 K27 | I23-E29 WeakPolarHBondContact CG2-O 3.25Å; V24-E29 VanDerWaalsContact CG2-O 3.32Å; V24-E29 WeakPolarHBondContact CG2-O 3.32Å; K27-E29 PolarHBondContact O-N 2.93Å | ||
| 30 | F | 91.1 | Very high | 87.7 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 34% | 0.338 | 36% | 0.358 | S | S | . | . | trans | -89.6 | 125.1 | 174.5 | -174.6 | -92.4 | 0 | 0 | 0 | 110 | C20 V24 E32 A161 K162 | C20-F30 HydrophobicContact CB-CD2 4.43Å; C20-F30 HydrophobicContact CB-CE2 3.88Å; V24-F30 HydrophobicContact CG2-CB 4.11Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; F30-E32 PolarHBondContact O-N 3.38Å; F30-A161 HydrophobicContact CD2-CB 4.03Å; F30-A161 WeakPolarHBondContact CD2-O 3.17Å; F30-A161 HydrophobicContact CE2-CB 3.93Å; F30-K162 HydrophobicContact CD2-CB 4.33Å; F30-K162 HydrophobicContact CE2-CB 4Å; F30-K162 HydrophobicContact CZ-CB 4.32Å | ||
| 31 | P | 88.1 | Confident | 87.1 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | trans | -70.8 | 122.8 | 179.9 | 28.9 | -34.2 | 0 | 0 | 0 | 111 | C20 I23 | C20-P31 HydrophobicContact CB-CG 4.4Å; I23-P31 HydrophobicContact CD1-CB 4.41Å; I23-P31 HydrophobicContact CD1-CG 4.18Å | ||
| 32 | E | 84.4 | Confident | 86.6 | Confident | 192 Ų | 192 | 74.4 Ų | 74.4 | 90% | 0.897 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -78.1 | -23.3 | 178.2 | -63.7 | -167.3 | 163.5 | 0 | 0 | 113.4 | F30 | F30-E32 PolarHBondContact O-N 3.38Š|
| 33 | V | 84 | Confident | 86.4 | Confident | 114 Ų | 114 | 78.8 Ų | 78.8 | 69% | 0.691 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -104.1 | 125.1 | -178 | -176.5 | 0 | 0 | 0 | 0 | 110 | V35 | V33-V35 HydrophobicContact CG1-CG2 4.14Å; V33-V35 PolarHBondContact O-N 3.36Å |
| 34 | Y | 74.8 | Confident | 86.3 | Confident | 143 Ų | 143 | 78.1 Ų | 78.1 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | trans | -79.2 | 116.5 | 172.6 | 179.8 | -110.4 | 0 | 0 | 0 | 110.9 | P36 | Y34-P36 HydrophobicContact CD1-CG 4.49Å; Y34-P36 HydrophobicContact CE1-CG 3.74Å | ||
| 35 | V | 81.3 | Confident | 86.2 | Confident | 102 Ų | 102 | 83 Ų | 83 | 62% | 0.618 | 43% | 0.431 | S | S | * | . | trans | -123.1 | 119.8 | 170 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | V33 T37 | V33-V35 HydrophobicContact CG1-CG2 4.14Å; V33-V35 PolarHBondContact O-N 3.36Å; V35-T37 PolarHBondContact O-N 3.4Å | ||
| 36 | P | 78.9 | Confident | 86.2 | Confident | 71 Ų | 71 | 81.6 Ų | 81.6 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | trans | -60 | 125.5 | 176.2 | -23.9 | 32.9 | 0 | 0 | 0 | 112 | Y34 | Y34-P36 HydrophobicContact CD1-CG 4.49Å; Y34-P36 HydrophobicContact CE1-CG 3.74Å | ||
| 37 | T | 81.9 | Confident | 86.2 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 8% | 0.08 | 43% | 0.434 | C | S | . | . | trans | -72.9 | 138.4 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | T19 V35 D59 A61 | T19-T37 PolarHBondContact OG1-OG1 3.02Å; V35-T37 PolarHBondContact O-N 3.4Å; T37-D59 HydrophobicContact CG2-CB 4.09Å; T37-D59 WeakPolarHBondContact CG2-OD2 3.43Å; T37-D59 PolarHBondContact OG1-OD2 2.86Å; T37-A61 VanDerWaalsContact O-CB 3.23Å; T37-A61 WeakPolarHBondContact O-CB 3.24Å | ||
| 38 | V | 76.6 | Confident | 86.3 | Confident | 68 Ų | 68 | 78.7 Ų | 78.7 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -96.7 | -64.7 | 163.8 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | A61 Y66 | V38-A61 PolarHBondContact O-N 2.89Å; V38-Y66 HydrophobicContact CB-CE1 4.27Å; V38-Y66 HydrophobicContact CG1-CD1 4.09Å; V38-Y66 HydrophobicContact CG1-CE1 3.6Å; V38-Y66 HydrophobicContact CG2-CE1 4.01Å |
| 39 | F | 67.4 | Low | 86.3 | Confident | 67 Ų | 67 | 77.9 Ų | 77.9 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 138.6 | 166.9 | -69.8 | -73.3 | 0 | 0 | 0 | 109.1 | T60 L69 S73 | F39-T60 HydrophobicContact CE1-CG2 4.4Å; F39-L69 HydrophobicContact CE2-CB 3.86Å; F39-L69 HydrophobicContact CZ-CB 3.9Å; F39-S73 WeakPolarHBondContact CD1-OG 3.24Å; F39-S73 WeakPolarHBondContact CE1-OG 3.2Å |
| 40 | D | 83.4 | Confident | 86.3 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 149.3 | 168.3 | -87.3 | -49 | 0 | 0 | 0 | 110.4 | Y42 D59 | D40-Y42 HydrophobicContact CB-CD2 4.41Å; D40-Y42 HydrophobicContact CB-CE2 3.52Å; D40-D59 HydrophobicContact CB-CB 4.33Å; D40-D59 PolarHBondContact N-O 2.85Å; D40-D59 PolarHBondContact O-N 2.83Å |
| 41 | N | 83.6 | Confident | 86.3 | Confident | 98 Ų | 98 | 78.5 Ų | 78.5 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127 | 176.5 | -69 | -49.3 | 0 | 0 | 0 | 109.7 | L57 | N41-L57 WeakPolarHBondContact CA-O 3.25Å |
| 42 | Y | 88.6 | Confident | 86.7 | Confident | 35 Ų | 35 | 82 Ų | 82 | 14% | 0.137 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 157.4 | 175.1 | -51.3 | -94.1 | 0 | 0 | 0 | 109.5 | I23 D40 L57 D59 | I23-Y42 HydrophobicContact CG1-CE1 4.24Å; D40-Y42 HydrophobicContact CB-CD2 4.41Å; D40-Y42 HydrophobicContact CB-CE2 3.52Å; Y42-L57 PolarHBondContact N-O 3.47Å; Y42-L57 PolarHBondContact O-N 2.65Å; Y42-D59 HydrophobicContact CE2-CB 4.2Å |
| 43 | V | 91.9 | Very high | 87.3 | Confident | 92 Ų | 92 | 72.9 Ų | 72.9 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 135.4 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | Q54 L55 | V43-Q54 HydrophobicContact CG1-CG 3.49Å; V43-Q54 VanDerWaalsContact CG1-CG 3.49Å; V43-L55 WeakPolarHBondContact CA-O 3.49Å |
| 44 | A | 93.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 136.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | F25 L55 L57 | F25-A44 HydrophobicContact CD1-CB 4.04Å; F25-A44 HydrophobicContact CE1-CB 3.44Å; F25-A44 VanDerWaalsContact CE1-CB 3.44Å; F25-A44 HydrophobicContact CZ-CB 4.11Å; A44-L55 PolarHBondContact N-O 2.9Å; A44-L55 VanDerWaalsContact N-O 3.1Å; A44-L55 PolarHBondContact O-N 2.86Å; A44-L57 HydrophobicContact CB-CD1 4.01Å |
| 45 | D | 94.8 | Very high | 88.9 | Confident | 108 Ų | 108 | 62.4 Ų | 62.4 | 58% | 0.578 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.9 | 174.1 | -59.5 | -46.7 | 0 | 0 | 0 | 109.6 | Q54 | D45-Q54 PolarHBondContact OD1-NE2 2.93Å |
| 46 | I | 95.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.6 | -178 | -163 | 178.7 | 0 | 0 | 0 | 110.4 | F25 V48 V53 L55 R168 F171 D172 T175 | F25-I46 HydrophobicContact CE2-CD1 4.05Å; F25-I46 HydrophobicContact CZ-CB 4.3Å; F25-I46 HydrophobicContact CZ-CD1 3.91Å; F25-I46 HydrophobicContact CZ-CG1 4.37Å; I46-V48 HydrophobicContact CD1-CG2 3.88Å; I46-V48 HydrophobicContact CG1-CG2 3.95Å; I46-V48 HydrophobicContact CG2-CG2 4.35Å; I46-V53 HydrophobicContact CG2-CB 4.02Å; I46-V53 PolarHBondContact N-O 3.21Å; I46-V53 PolarHBondContact O-N 2.86Å; I46-L55 HydrophobicContact CG2-CD1 3.85Å; I46-L55 HydrophobicContact CG2-CG 3.88Å; I46-R168 VanDerWaalsContact CG1-CZ 3.47Å; I46-F171 HydrophobicContact CD1-CB 3.87Å; I46-D172 VanDerWaalsContact CD1-OD1 3.28Å; I46-D172 WeakPolarHBondContact CD1-OD1 3.48Å; I46-T175 HydrophobicContact CG2-CG2 4.08Å |
| 47 | E | 94.9 | Very high | 90.6 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.7 | 168.9 | -171.4 | 176.1 | 168.7 | 0 | 0 | 110.2 | K51 Q52 R168 | E47-K51 WeakPolarHBondContact CA-O 3.39Å; E47-Q52 PolarHBondContact OE2-NE2 3.44Å; E47-R168 PolarHBondContact O-NH2 2.87Å |
| 48 | V | 93.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.7 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | I46 T50 K51 D172 T175 R176 | I46-V48 HydrophobicContact CD1-CG2 3.88Å; I46-V48 HydrophobicContact CG1-CG2 3.95Å; I46-V48 HydrophobicContact CG2-CG2 4.35Å; V48-T50 PolarHBondContact O-N 3.21Å; V48-K51 PolarHBondContact N-O 2.65Å; V48-K51 WeakPolarHBondContact O-CB 3.2Å; V48-K51 PolarHBondContact O-N 2.74Å; V48-D172 HydrophobicContact CG2-CB 4.41Å; V48-D172 WeakPolarHBondContact CG2-OD1 3.32Å; V48-T175 HydrophobicContact CB-CG2 3.94Å; V48-T175 HydrophobicContact CG1-CG2 4.5Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V48-R176 HydrophobicContact CG1-CB 4.39Å |
| 49 | D | 91.7 | Very high | 92.3 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 45.6 | -179.6 | -52.7 | -26 | 0 | 0 | 0 | 111.9 | K51 R176 | D49-K51 PolarHBondContact O-N 2.82Å; D49-R176 IonicContact OD1-CZ 2.97Å; D49-R176 IonicContact OD1-NE 3.54Å; D49-R176 IonicContact OD1-NH2 2.7Å; D49-R176 PolarHBondContact OD1-NH2 3.39Å; D49-R176 IonicContact OD2-CZ 2.69Å; D49-R176 IonicContact OD2-NE 3.89Å; D49-R176 PolarHBondContact OD2-NE 3.06Å; D49-R176 IonicContact OD2-NH2 3.04Å |
| 50 | T | 91.4 | Very high | 93.6 | Very high | 126 Ų | 126 | 52.1 Ų | 52.1 | 77% | 0.773 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 12.6 | -177.2 | 68.4 | 0 | 0 | 0 | 0 | 116.2 | V48 | V48-T50 PolarHBondContact O-N 3.21Š|
| 51 | K | 92.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 48.5 Ų | 48.5 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.6 | 176.3 | -63.9 | 172.5 | -176.2 | 169.3 | 0 | 109.8 | I4 E47 V48 D49 V53 L179 | I4-K51 HydrophobicContact CD1-CB 4.23Å; I4-K51 HydrophobicContact CD1-CD 4.29Å; I4-K51 HydrophobicContact CD1-CG 4.49Å; E47-K51 WeakPolarHBondContact CA-O 3.39Å; V48-K51 PolarHBondContact N-O 2.65Å; V48-K51 WeakPolarHBondContact O-CB 3.2Å; V48-K51 PolarHBondContact O-N 2.74Å; D49-K51 PolarHBondContact O-N 2.82Å; K51-V53 HydrophobicContact CB-CG2 4.41Å; K51-V53 PolarHBondContact O-N 2.67Å; K51-L179 HydrophobicContact CD-CD1 4.07Å |
| 52 | Q | 95.4 | Very high | 94.5 | Very high | 108 Ų | 108 | 44.1 Ų | 44.1 | 51% | 0.505 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 120.8 | 168.9 | -61.5 | -61.8 | -23.8 | 0 | 0 | 109.2 | E47 | E47-Q52 PolarHBondContact OE2-NE2 3.44Å |
| 53 | V | 96.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.2 | -179.5 | -174.9 | 0 | 0 | 0 | 0 | 109 | I4 K6 I46 K51 L55 T175 L179 | I4-V53 HydrophobicContact CB-CG2 4.28Å; I4-V53 HydrophobicContact CG2-CG1 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.3Å; I4-V53 CarbonylContact O-C 3.57Å; I4-V53 VanDerWaalsContact O-CA 3.3Å; I4-V53 WeakPolarHBondContact O-CA 3.39Å; K6-V53 HydrophobicContact CB-CG1 4.01Å; K6-V53 HydrophobicContact CG-CG1 3.8Å; I46-V53 HydrophobicContact CG2-CB 4.02Å; I46-V53 PolarHBondContact N-O 3.21Å; I46-V53 PolarHBondContact O-N 2.86Å; K51-V53 HydrophobicContact CB-CG2 4.41Å; K51-V53 PolarHBondContact O-N 2.67Å; V53-L55 HydrophobicContact CG1-CD2 4.12Å; V53-T175 HydrophobicContact CB-CG2 4.01Å; V53-T175 HydrophobicContact CG1-CG2 4.09Å; V53-T175 HydrophobicContact CG2-CG2 3.84Å; V53-L179 HydrophobicContact CG2-CD1 4.1Å; V53-L179 HydrophobicContact CG2-CD2 4.14Å; V53-L179 HydrophobicContact CG2-CG 4.47Å |
| 54 | Q | 96.8 | Very high | 94.6 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 118.4 | 168 | 179.3 | 173.1 | 89.1 | 0 | 0 | 109 | E3 I4 R5 K6 V43 D45 | E3-Q54 HydrophobicContact CG-CB 4.02Å; E3-Q54 PolarHBondContact OE1-NE2 3.17Å; I4-Q54 PolarHBondContact O-N 3.26Å; R5-Q54 WeakPolarHBondContact CA-O 3.38Å; R5-Q54 HydrophobicContact CG-CB 4.26Å; R5-Q54 VanDerWaalsContact NE-OE1 3.14Å; K6-Q54 PolarHBondContact N-O 2.83Å; V43-Q54 HydrophobicContact CG1-CG 3.49Å; V43-Q54 VanDerWaalsContact CG1-CG 3.49Å; D45-Q54 PolarHBondContact OD1-NE2 2.93Å |
| 55 | L | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 120.4 | 175.8 | -64.8 | 179.5 | 0 | 0 | 0 | 109.9 | K6 F25 V43 A44 I46 V53 L57 F171 | K6-L55 HydrophobicContact CB-CD2 3.9Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.4Å; F25-L55 HydrophobicContact CE1-CD1 3.97Å; F25-L55 HydrophobicContact CZ-CD1 4.08Å; V43-L55 WeakPolarHBondContact CA-O 3.49Å; A44-L55 PolarHBondContact N-O 2.9Å; A44-L55 VanDerWaalsContact N-O 3.1Å; A44-L55 PolarHBondContact O-N 2.86Å; I46-L55 HydrophobicContact CG2-CD1 3.85Å; I46-L55 HydrophobicContact CG2-CG 3.88Å; V53-L55 HydrophobicContact CG1-CD2 4.12Å; L55-L57 HydrophobicContact CB-CD2 3.73Å; L55-L57 HydrophobicContact CB-CG 4.3Å; L55-L57 HydrophobicContact CD1-CD2 4.21Å; L55-F171 HydrophobicContact CD1-CD1 4.13Å |
| 56 | A | 97.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 52 Ų | 52 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 109.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108 | K6 L8 | K6-A56 PolarHBondContact O-N 2.96Å; L8-A56 PolarHBondContact N-O 2.57Å |
| 57 | L | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117 | -175 | -52.6 | 173.9 | 0 | 0 | 0 | 109.4 | L8 L22 F25 N41 Y42 A44 L55 F171 | L8-L57 HydrophobicContact CB-CD2 4.21Å; L8-L57 HydrophobicContact CD1-CD2 4.34Å; L8-L57 HydrophobicContact CD2-CD2 4.09Å; L8-L57 HydrophobicContact CG-CD2 4.46Å; L22-L57 HydrophobicContact CD2-CB 4Å; L22-L57 HydrophobicContact CD2-CD1 4.2Å; L22-L57 HydrophobicContact CD2-CD2 4.24Å; L22-L57 HydrophobicContact CD2-CG 4.37Å; F25-L57 HydrophobicContact CD1-CD1 3.79Å; F25-L57 HydrophobicContact CE1-CD1 4.06Å; F25-L57 HydrophobicContact CE1-CD2 4.44Å; N41-L57 WeakPolarHBondContact CA-O 3.25Å; Y42-L57 PolarHBondContact N-O 3.47Å; Y42-L57 PolarHBondContact O-N 2.65Å; A44-L57 HydrophobicContact CB-CD1 4.01Å; L55-L57 HydrophobicContact CB-CD2 3.73Å; L55-L57 HydrophobicContact CB-CG 4.3Å; L55-L57 HydrophobicContact CD1-CD2 4.21Å; L57-F171 HydrophobicContact CD2-CD1 4.36Å; L57-F171 HydrophobicContact CD2-CE1 3.95Å |
| 58 | W | 97.5 | Very high | 94.3 | Very high | 67 Ų | 67 | 61 Ų | 61 | 25% | 0.254 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 107.9 | -179.4 | -71.5 | 65.6 | 0 | 0 | 0 | 109.3 | K7 L8 V9 V10 | K7-W58 VanDerWaalsContact CE-CE2 3.46Å; L8-W58 PolarHBondContact O-N 2.97Å; V9-W58 HydrophobicContact CB-CB 4.27Å; V9-W58 HydrophobicContact CG1-CB 4.38Å; V9-W58 HydrophobicContact CG2-CB 3.79Å; V9-W58 HydrophobicContact CG2-CG 4.13Å; V10-W58 PolarHBondContact N-O 3.19Å |
| 59 | D | 96.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.1 | 173.3 | -162.3 | 12.2 | 0 | 0 | 0 | 110 | T19 L22 T37 D40 Y42 | T19-D59 WeakPolarHBondContact CA-OD2 3.41Å; T19-D59 VanDerWaalsContact CB-OD2 3.25Å; T19-D59 WeakPolarHBondContact CB-OD2 3.43Å; T19-D59 VanDerWaalsContact CG2-OD2 3.32Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.38Å; T19-D59 PolarHBondContact OG1-OD2 3.17Å; L22-D59 HydrophobicContact CD1-CB 3.46Å; L22-D59 VanDerWaalsContact CD1-CB 3.46Å; T37-D59 HydrophobicContact CG2-CB 4.09Å; T37-D59 WeakPolarHBondContact CG2-OD2 3.43Å; T37-D59 PolarHBondContact OG1-OD2 2.86Å; D40-D59 HydrophobicContact CB-CB 4.33Å; D40-D59 PolarHBondContact N-O 2.85Å; D40-D59 PolarHBondContact O-N 2.83Å; Y42-D59 HydrophobicContact CE2-CB 4.2Å |
| 60 | T | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 146.4 | -177 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | V9 V10 K18 F39 R70 | V9-T60 HydrophobicContact CG1-CG2 3.83Å; V10-T60 PolarHBondContact O-OG1 3.44Å; K18-T60 WeakPolarHBondContact CE-O 3.48Å; F39-T60 HydrophobicContact CE1-CG2 4.4Å; T60-R70 HydrophobicContact CG2-CG 4.2Å |
| 61 | A | 93.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | trans | -61.7 | 134.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | T37 V38 Y66 R70 | T37-A61 VanDerWaalsContact O-CB 3.23Å; T37-A61 WeakPolarHBondContact O-CB 3.24Å; V38-A61 PolarHBondContact O-N 2.89Å; A61-Y66 HydrophobicContact CB-CD1 4.21Å; A61-Y66 HydrophobicContact CB-CD2 3.48Å; A61-Y66 VanDerWaalsContact CB-CD2 3.48Å; A61-Y66 HydrophobicContact CB-CE2 4.2Å; A61-Y66 HydrophobicContact CB-CG 3.49Å; A61-Y66 VanDerWaalsContact CB-CG 3.49Å; A61-R70 PolarHBondContact O-NE 3.01Å; A61-R70 PolarHBondContact O-NH2 3.04Å | ||
| 62 | G | 92.6 | Very high | 95 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | trans | -91.3 | -9.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G12 | G12-G62 WeakPolarHBondContact O-CA 3.42Š| ||
| 63 | Q | 91.6 | Very high | 95 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -78.9 | 147.6 | -177.3 | -57 | 82.8 | -12.2 | 0 | 0 | 111.1 | D65 Y66 R70 | Q63-D65 PolarHBondContact O-N 3.17Å; Q63-Y66 HydrophobicContact CB-CD2 4.12Å; Q63-Y66 PolarHBondContact O-N 3.05Å; Q63-Y66 VanDerWaalsContact O-N 3.16Å; Q63-R70 PolarHBondContact O-NH2 3.42Å |
| 64 | E | 90.1 | Very high | 95.1 | Very high | 148 Ų | 148 | 51.8 Ų | 51.8 | 69% | 0.692 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -61.1 | -30 | 179.5 | -70.2 | -179.8 | 177.2 | 0 | 0 | 113.3 | Y66 D67 | E64-Y66 PolarHBondContact O-N 2.73Å; E64-D67 WeakPolarHBondContact O-CB 3.42Å; E64-D67 VanDerWaalsContact O-CG 3.27Å; E64-D67 PolarHBondContact O-N 2.89Å |
| 65 | D | 93.1 | Very high | 95.1 | Very high | 146 Ų | 146 | 53.5 Ų | 53.5 | 78% | 0.781 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -54.3 | -23.4 | 176.3 | -61.7 | -40.5 | 0 | 0 | 0 | 113 | Q63 | Q63-D65 PolarHBondContact O-N 3.17Š|
| 66 | Y | 92.9 | Very high | 95.1 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 26% | 0.259 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -105.1 | 6.7 | -178.5 | -60.7 | -84.8 | 0 | 0 | 0 | 113.9 | V38 A61 Q63 E64 R68 L69 R70 | V38-Y66 HydrophobicContact CB-CE1 4.27Å; V38-Y66 HydrophobicContact CG1-CD1 4.09Å; V38-Y66 HydrophobicContact CG1-CE1 3.6Å; V38-Y66 HydrophobicContact CG2-CE1 4.01Å; A61-Y66 HydrophobicContact CB-CD1 4.21Å; A61-Y66 HydrophobicContact CB-CD2 3.48Å; A61-Y66 VanDerWaalsContact CB-CD2 3.48Å; A61-Y66 HydrophobicContact CB-CE2 4.2Å; A61-Y66 HydrophobicContact CB-CG 3.49Å; A61-Y66 VanDerWaalsContact CB-CG 3.49Å; Q63-Y66 HydrophobicContact CB-CD2 4.12Å; Q63-Y66 PolarHBondContact O-N 3.05Å; Q63-Y66 VanDerWaalsContact O-N 3.16Å; E64-Y66 PolarHBondContact O-N 2.73Å; Y66-R68 PolarHBondContact O-N 3.4Å; Y66-R68 VanDerWaalsContact O-N 3.11Å; Y66-L69 HydrophobicContact CD1-CD1 3.98Å; Y66-L69 PolarHBondContact O-N 3.34Å; Y66-R70 PolarHBondContact O-N 3.15Å |
| 67 | D | 93.4 | Very high | 95.1 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.1 | -177.3 | -75.9 | -8.9 | 0 | 0 | 0 | 113 | E64 R70 P71 K98 | E64-D67 WeakPolarHBondContact O-CB 3.42Å; E64-D67 VanDerWaalsContact O-CG 3.27Å; E64-D67 PolarHBondContact O-N 2.89Å; D67-R70 IonicContact OD1-CZ 3.16Å; D67-R70 VanDerWaalsContact OD1-CZ 3.26Å; D67-R70 IonicContact OD1-NH1 3.64Å; D67-R70 PolarHBondContact OD1-NH1 3.02Å; D67-R70 IonicContact OD1-NH2 2.74Å; D67-R70 PolarHBondContact OD1-NH2 2.75Å; D67-P71 WeakPolarHBondContact O-CD 3.43Å; D67-K98 WeakPolarHBondContact OD1-CE 3.41Å; D67-K98 IonicContact OD1-NZ 3.17Å; D67-K98 PolarHBondContact OD1-NZ 2.82Å; D67-K98 IonicContact OD2-NZ 2.83Å; D67-K98 PolarHBondContact OD2-NZ 3.32Å; D67-K98 VanDerWaalsContact OD2-NZ 3.17Å |
| 68 | R | 93.9 | Very high | 95.2 | Very high | 237 Ų | 237 | 60.3 Ų | 60.3 | 89% | 0.894 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -22 | 175.7 | -65.3 | -174.6 | 179.5 | -176.8 | 1 | 114 | Y66 | Y66-R68 PolarHBondContact O-N 3.4Å; Y66-R68 VanDerWaalsContact O-N 3.11Å |
| 69 | L | 93.9 | Very high | 95.2 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 41% | 0.414 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -35.4 | -177.4 | -66.1 | 175.2 | 0 | 0 | 0 | 111.7 | F39 Y66 P71 L72 | F39-L69 HydrophobicContact CE2-CB 3.86Å; F39-L69 HydrophobicContact CZ-CB 3.9Å; Y66-L69 HydrophobicContact CD1-CD1 3.98Å; Y66-L69 PolarHBondContact O-N 3.34Å; L69-P71 VanDerWaalsContact C-N 3.26Å; L69-L72 HydrophobicContact CD2-CD1 4.24Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.41Å; L69-L72 WeakPolarHBondContact O-CG 3.38Å; L69-L72 PolarHBondContact O-N 3.44Å |
| 70 | R | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -50.3 | -39.6 | 179.5 | -162.7 | 179 | -44.6 | 100.4 | 5.1 | 113.4 | T60 A61 Q63 Y66 D67 L72 S73 Y74 E102 | T60-R70 HydrophobicContact CG2-CG 4.2Å; A61-R70 PolarHBondContact O-NE 3.01Å; A61-R70 PolarHBondContact O-NH2 3.04Å; Q63-R70 PolarHBondContact O-NH2 3.42Å; Y66-R70 PolarHBondContact O-N 3.15Å; D67-R70 IonicContact OD1-CZ 3.16Å; D67-R70 VanDerWaalsContact OD1-CZ 3.26Å; D67-R70 IonicContact OD1-NH1 3.64Å; D67-R70 PolarHBondContact OD1-NH1 3.02Å; D67-R70 IonicContact OD1-NH2 2.74Å; D67-R70 PolarHBondContact OD1-NH2 2.75Å; R70-L72 PolarHBondContact O-N 2.8Å; R70-S73 WeakPolarHBondContact O-CB 3.36Å; R70-S73 PolarHBondContact O-N 3.37Å; R70-Y74 WeakPolarHBondContact CD-OH 3.29Å; R70-E102 VanDerWaalsContact CD-OE1 3.31Å; R70-E102 WeakPolarHBondContact CD-OE1 3.42Å; R70-E102 IonicContact CZ-OE1 2.93Å; R70-E102 IonicContact NE-OE1 3.98Å; R70-E102 VanDerWaalsContact NH1-CD 3.32Å; R70-E102 IonicContact NH1-OE1 3.26Å; R70-E102 PolarHBondContact NH1-OE1 3.16Å; R70-E102 IonicContact NH1-OE2 2.9Å; R70-E102 PolarHBondContact NH1-OE2 2.89Å |
| 71 | P | 96.8 | Very high | 95.5 | Very high | 25 Ų | 25 | 57 Ų | 57 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -56.9 | -24.1 | 178 | -30 | 38.6 | 0 | 0 | 0 | 115.9 | D67 L69 S73 Y74 F106 | D67-P71 WeakPolarHBondContact O-CD 3.43Å; L69-P71 VanDerWaalsContact C-N 3.26Å; P71-S73 PolarHBondContact O-N 2.77Å; P71-Y74 VanDerWaalsContact CA-CD2 3.46Å; P71-Y74 HydrophobicContact CB-CD2 4.21Å; P71-Y74 HydrophobicContact CB-CE2 4.46Å; P71-Y74 HydrophobicContact CG-CE2 4.48Å; P71-Y74 PolarHBondContact O-N 2.89Å; P71-F106 HydrophobicContact CB-CD1 4.13Å; P71-F106 HydrophobicContact CB-CD2 4.3Å; P71-F106 HydrophobicContact CB-CE1 3.68Å; P71-F106 HydrophobicContact CB-CE2 3.86Å; P71-F106 HydrophobicContact CB-CG 4.43Å; P71-F106 HydrophobicContact CB-CZ 3.53Å; P71-F106 HydrophobicContact CG-CD2 4.3Å; P71-F106 HydrophobicContact CG-CE1 4.18Å; P71-F106 HydrophobicContact CG-CE2 3.56Å; P71-F106 HydrophobicContact CG-CZ 3.49Å; P71-F106 VanDerWaalsContact CG-CZ 3.49Å |
| 72 | L | 95.5 | Very high | 95.8 | Very high | 126 Ų | 126 | 57 Ų | 57 | 66% | 0.66 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -65.6 | -18.7 | 176.5 | -57.3 | 177.2 | 0 | 0 | 0 | 112.6 | L69 R70 P75 | L69-L72 HydrophobicContact CD2-CD1 4.24Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.41Å; L69-L72 WeakPolarHBondContact O-CG 3.38Å; L69-L72 PolarHBondContact O-N 3.44Å; R70-L72 PolarHBondContact O-N 2.8Å; L72-P75 WeakPolarHBondContact O-CD 3.48Å |
| 73 | S | 96.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -84.7 | -15.1 | 176.9 | -62.7 | 0 | 0 | 0 | 0 | 113.7 | K7 V9 F39 R70 P71 | K7-S73 WeakPolarHBondContact CE-O 3.3Å; K7-S73 PolarHBondContact NZ-O 3.38Å; V9-S73 WeakPolarHBondContact CG2-O 3.42Å; F39-S73 WeakPolarHBondContact CD1-OG 3.24Å; F39-S73 WeakPolarHBondContact CE1-OG 3.2Å; R70-S73 WeakPolarHBondContact O-CB 3.36Å; R70-S73 PolarHBondContact O-N 3.37Å; P71-S73 PolarHBondContact O-N 2.77Å |
| 74 | Y | 98 | Very high | 96.4 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | trans | -79.4 | -27.1 | -172.8 | -65.2 | -38.5 | 0 | 0 | 0 | 118 | V9 V11 R70 P71 D76 T77 I80 E102 F106 | V9-Y74 HydrophobicContact CG1-CD1 4.18Å; V9-Y74 HydrophobicContact CG1-CE1 4.04Å; V11-Y74 HydrophobicContact CG1-CE1 3.81Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.39Å; R70-Y74 WeakPolarHBondContact CD-OH 3.29Å; P71-Y74 VanDerWaalsContact CA-CD2 3.46Å; P71-Y74 HydrophobicContact CB-CD2 4.21Å; P71-Y74 HydrophobicContact CB-CE2 4.46Å; P71-Y74 HydrophobicContact CG-CE2 4.48Å; P71-Y74 PolarHBondContact O-N 2.89Å; Y74-D76 PolarHBondContact O-N 3.27Å; Y74-T77 WeakPolarHBondContact O-CB 3.22Å; Y74-T77 PolarHBondContact O-N 3.26Å; Y74-T77 PolarHBondContact O-OG1 2.84Å; Y74-I80 HydrophobicContact CD1-CD1 4.49Å; Y74-E102 HydrophobicContact CE2-CG 4.16Å; Y74-E102 PolarHBondContact OH-OE1 2.69Å; Y74-F106 HydrophobicContact CD2-CB 3.3Å; Y74-F106 HydrophobicContact CD2-CD1 4.35Å; Y74-F106 AromaticContact CD2-CD2 3.56Å; Y74-F106 HydrophobicContact CD2-CD2 3.56Å; Y74-F106 HydrophobicContact CD2-CE2 4.47Å; Y74-F106 AromaticContact CD2-CG 3.49Å; Y74-F106 HydrophobicContact CD2-CG 3.49Å; Y74-F106 VanDerWaalsContact CD2-CG 3.49Å; Y74-F106 HydrophobicContact CE2-CB 4.09Å; Y74-F106 AromaticContact CE2-CD2 3.61Å; Y74-F106 HydrophobicContact CE2-CD2 3.61Å; Y74-F106 HydrophobicContact CE2-CE2 4.35Å; Y74-F106 HydrophobicContact CE2-CG 4.06Å; Y74-F106 HydrophobicContact CG-CB 3.85Å; Y74-F106 HydrophobicContact CG-CG 4.46Å | ||
| 75 | P | 97.6 | Very high | 96.8 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 47% | 0.468 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 136.7 | 179.7 | -29.7 | 36.6 | 0 | 0 | 0 | 112.5 | K7 L72 T77 | K7-P75 WeakPolarHBondContact CE-O 3.42Å; K7-P75 PolarHBondContact NZ-O 3.42Å; L72-P75 WeakPolarHBondContact O-CD 3.48Å; P75-T77 PolarHBondContact O-N 3.06Å; P75-T77 VanDerWaalsContact O-N 3.15Å |
| 76 | D | 96.4 | Very high | 97.1 | Very high | 144 Ų | 144 | 40.3 Ų | 40.3 | 77% | 0.77 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19.6 | 177.6 | -51.4 | -50.1 | 0 | 0 | 0 | 115.8 | Y74 D78 | Y74-D76 PolarHBondContact O-N 3.27Å; D76-D78 PolarHBondContact O-N 3.49Å |
| 77 | T | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | trans | -64.5 | 131.5 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | V9 Y74 P75 V79 I80 V110 R182 | V9-T77 HydrophobicContact CB-CG2 4.02Å; V9-T77 HydrophobicContact CG2-CG2 3.7Å; V9-T77 VanDerWaalsContact CG2-OG1 3.24Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.15Å; Y74-T77 WeakPolarHBondContact O-CB 3.22Å; Y74-T77 PolarHBondContact O-N 3.26Å; Y74-T77 PolarHBondContact O-OG1 2.84Å; P75-T77 PolarHBondContact O-N 3.06Å; P75-T77 VanDerWaalsContact O-N 3.15Å; T77-V79 WeakPolarHBondContact CG2-O 3.37Å; T77-I80 HydrophobicContact CG2-CD1 3.78Å; T77-I80 HydrophobicContact CG2-CG1 4.26Å; T77-V110 HydrophobicContact CG2-CG1 4.07Å; T77-V110 WeakPolarHBondContact O-CG2 3.48Å; T77-R182 PolarHBondContact O-NH2 2.82Å | ||
| 78 | D | 98.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 17% | 0.171 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -92 | -32.4 | 177.4 | -70.9 | -80.9 | 0 | 0 | 0 | 113.3 | K6 K7 D76 P111 A178 | K6-D78 WeakPolarHBondContact CA-OD2 3.32Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.77Å; K6-D78 WeakPolarHBondContact CD-OD1 3.19Å; K6-D78 WeakPolarHBondContact CD-OD2 3.36Å; K6-D78 IonicContact NZ-OD1 2.99Å; K6-D78 PolarHBondContact NZ-OD1 2.84Å; K7-D78 PolarHBondContact N-OD2 2.95Å; K7-D78 WeakPolarHBondContact O-CA 3.43Å; K7-D78 WeakPolarHBondContact O-CB 3.27Å; K7-D78 PolarHBondContact O-N 2.84Å; D76-D78 PolarHBondContact O-N 3.49Å; D78-P111 WeakPolarHBondContact O-CD 3.18Å; D78-A178 HydrophobicContact CB-CB 4.02Å |
| 79 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 147.4 | 178.8 | 61.4 | 0 | 0 | 0 | 0 | 111 | K7 L8 V9 T77 P111 I113 A174 A177 A178 | K7-V79 PolarHBondContact O-N 3.29Å; L8-V79 WeakPolarHBondContact CA-O 3.37Å; L8-V79 HydrophobicContact CB-CG1 3.83Å; L8-V79 HydrophobicContact CD1-CG1 3.99Å; L8-V79 HydrophobicContact CG-CG1 3.88Å; V9-V79 PolarHBondContact N-O 2.86Å; T77-V79 WeakPolarHBondContact CG2-O 3.37Å; V79-P111 HydrophobicContact CB-CG 4.32Å; V79-P111 HydrophobicContact CG2-CG 4.22Å; V79-I113 HydrophobicContact CG2-CG1 4.11Å; V79-A174 HydrophobicContact CG1-CB 4.31Å; V79-A174 HydrophobicContact CG2-CB 4.1Å; V79-A177 HydrophobicContact CG2-CB 4.35Å; V79-A178 HydrophobicContact CB-CB 3.99Å; V79-A178 HydrophobicContact CG1-CB 3.89Å |
| 80 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.9 | 175.4 | -63.9 | -73.8 | 0 | 0 | 0 | 109.4 | V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113 | V9-I80 HydrophobicContact CB-CD1 3.96Å; V9-I80 HydrophobicContact CG1-CD1 4.44Å; V9-I80 WeakPolarHBondContact O-CA 3.31Å; V11-I80 HydrophobicContact CG2-CG2 3.93Å; Y74-I80 HydrophobicContact CD1-CD1 4.49Å; T77-I80 HydrophobicContact CG2-CD1 3.78Å; T77-I80 HydrophobicContact CG2-CG1 4.26Å; I80-M82 HydrophobicContact CG2-CB 4.26Å; I80-V103 HydrophobicContact CB-CG1 4.46Å; I80-V103 HydrophobicContact CD1-CG1 4.32Å; I80-V103 HydrophobicContact CG1-CG1 3.83Å; I80-V103 HydrophobicContact CG2-CG1 4.32Å; I80-V103 HydrophobicContact CG2-CG2 4.26Å; I80-V110 HydrophobicContact CG1-CB 4.49Å; I80-V110 HydrophobicContact CG1-CG1 3.85Å; I80-P111 PolarHBondContact N-O 2.79Å; I80-I112 HydrophobicContact CB-CG1 4.17Å; I80-I112 HydrophobicContact CG2-CG1 4.4Å; I80-I113 PolarHBondContact O-N 2.78Å |
| 81 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.6 | 157.1 | -63.3 | -171.6 | 0 | 0 | 0 | 108.3 | L8 V9 V10 V11 L21 I113 V115 V170 F171 A174 | L8-L81 HydrophobicContact CD1-CD1 4.07Å; L8-L81 HydrophobicContact CD1-CD2 4.46Å; L8-L81 HydrophobicContact CD1-CG 3.98Å; L8-L81 HydrophobicContact CD2-CD1 3.89Å; L8-L81 HydrophobicContact CD2-CG 3.87Å; L8-L81 HydrophobicContact CG-CD1 4.43Å; L8-L81 HydrophobicContact CG-CG 4.09Å; V9-L81 PolarHBondContact O-N 3.16Å; V10-L81 WeakPolarHBondContact CA-O 3.38Å; V10-L81 HydrophobicContact CB-CB 4.42Å; V10-L81 HydrophobicContact CG1-CB 4.06Å; V10-L81 HydrophobicContact CG2-CB 4.12Å; V10-L81 HydrophobicContact CG2-CD1 4.18Å; V10-L81 HydrophobicContact CG2-CG 4.49Å; V11-L81 PolarHBondContact N-O 2.92Å; L21-L81 HydrophobicContact CD2-CD1 4.1Å; L81-I113 HydrophobicContact CD2-CB 3.68Å; L81-I113 HydrophobicContact CD2-CG1 3.9Å; L81-I113 HydrophobicContact CD2-CG2 4.26Å; L81-V115 HydrophobicContact CB-CG2 4.49Å; L81-V115 HydrophobicContact CD2-CG2 4.05Å; L81-V170 HydrophobicContact CD1-CG1 3.78Å; L81-V170 HydrophobicContact CD2-CG1 3.97Å; L81-F171 HydrophobicContact CD1-CE1 4.12Å; L81-F171 HydrophobicContact CD1-CZ 4.28Å; L81-A174 HydrophobicContact CD2-CB 3.79Å |
| 82 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 108 | 177.1 | -176.7 | 173.6 | -69.7 | 0 | 0 | 108.1 | V11 I80 I95 W99 V100 V103 I112 I113 L114 V115 I151 | V11-M82 HydrophobicContact CG2-CB 4.32Å; V11-M82 HydrophobicContact CG2-CE 4.43Å; V11-M82 HydrophobicContact CG2-CG 4.31Å; I80-M82 HydrophobicContact CG2-CB 4.26Å; M82-I95 HydrophobicContact CG-CD1 3.71Å; M82-I95 HydrophobicContact SD-CD1 4.18Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; M82-W99 HydrophobicContact CE-CB 3.93Å; M82-W99 HydrophobicContact CG-CB 4.19Å; M82-W99 HydrophobicContact SD-CB 3.93Å; M82-V100 HydrophobicContact CE-CG2 4.03Å; M82-V100 HydrophobicContact SD-CG2 3.76Å; M82-V103 HydrophobicContact CE-CB 4.01Å; M82-V103 HydrophobicContact CE-CG1 4.47Å; M82-V103 HydrophobicContact CE-CG2 3.74Å; M82-I112 HydrophobicContact CB-CG2 3.64Å; M82-I112 HydrophobicContact CE-CD1 4.01Å; M82-I112 HydrophobicContact CE-CG2 4.08Å; M82-I112 HydrophobicContact SD-CG2 4.15Å; M82-I113 PolarHBondContact N-O 2.82Å; M82-L114 HydrophobicContact CG-CD1 4.33Å; M82-V115 PolarHBondContact O-N 2.94Å; M82-I151 HydrophobicContact SD-CD1 4.11Å |
| 83 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.9 | -168.7 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | V10 V11 G12 K18 V115 | V10-C83 VanDerWaalsContact CG1-SG 3.56Å; V11-C83 PolarHBondContact O-N 3.11Å; G12-C83 VanDerWaalsContact CA-O 3.22Å; G12-C83 WeakPolarHBondContact CA-O 3.46Å; K18-C83 HydrophobicContact CG-CB 4.04Å; C83-V115 WeakPolarHBondContact CA-O 3.38Å |
| 84 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 177.3 | 160.4 | 72.5 | -84.8 | 0 | 0 | 0 | 108.8 | S91 L92 I95 L114 V115 A116 N117 V139 Y156 | F84-S91 WeakPolarHBondContact CB-O 3.28Å; F84-L92 HydrophobicContact CD1-CD1 3.83Å; F84-L92 HydrophobicContact CD2-CB 3.91Å; F84-L92 HydrophobicContact CD2-CD1 4.08Å; F84-L92 HydrophobicContact CE1-CD1 3.71Å; F84-L92 HydrophobicContact CE2-CB 4.3Å; F84-L92 HydrophobicContact CE2-CD1 4.01Å; F84-L92 HydrophobicContact CG-CB 4.24Å; F84-L92 HydrophobicContact CG-CD1 4Å; F84-L92 HydrophobicContact CZ-CD1 3.79Å; F84-I95 HydrophobicContact CB-CD1 4.22Å; F84-I95 HydrophobicContact CB-CG1 4.28Å; F84-I95 HydrophobicContact CD1-CG1 4.48Å; F84-L114 HydrophobicContact CD1-CD1 3.93Å; F84-L114 HydrophobicContact CD1-CG 4.28Å; F84-L114 HydrophobicContact CE1-CD1 4.14Å; F84-L114 HydrophobicContact CE1-CD2 4.21Å; F84-L114 HydrophobicContact CE1-CG 3.99Å; F84-V115 WeakPolarHBondContact CD1-O 3.39Å; F84-V115 PolarHBondContact N-O 3.18Å; F84-A116 HydrophobicContact CE1-CB 3.74Å; F84-A116 HydrophobicContact CE2-CB 3.69Å; F84-A116 HydrophobicContact CZ-CB 3.25Å; F84-N117 PolarHBondContact O-N 2.93Å; F84-V139 HydrophobicContact CE2-CB 4.09Å; F84-V139 HydrophobicContact CE2-CG1 3.73Å; F84-V139 HydrophobicContact CE2-CG2 4.19Å; F84-V139 HydrophobicContact CZ-CG1 4.24Å; F84-Y156 AromaticContact CE1-CE2 3.89Å; F84-Y156 HydrophobicContact CE1-CE2 3.89Å; F84-Y156 AromaticContact CZ-CE2 3.92Å; F84-Y156 HydrophobicContact CZ-CE2 3.92Å |
| 85 | S | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.6 | -179.9 | -164 | 0 | 0 | 0 | 0 | 112.2 | D87 S88 S91 K118 | S85-D87 WeakPolarHBondContact CB-OD1 3.37Å; S85-D87 PolarHBondContact O-N 2.94Å; S85-D87 PolarHBondContact OG-OD1 3.31Å; S85-S88 CarbonylContact O-C 3.5Å; S85-S88 PolarHBondContact O-N 2.96Å; S85-S91 PolarHBondContact N-OG 2.87Å; S85-S91 PolarHBondContact O-OG 3.04Å; S85-K118 WeakPolarHBondContact OG-CD 3.47Å; S85-K118 WeakPolarHBondContact OG-CE 3.42Å; S85-K118 WeakPolarHBondContact OG-CG 3.47Å; S85-K118 PolarHBondContact OG-NZ 3.22Å |
| 86 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30.1 | -179.9 | 170.4 | 0 | 0 | 0 | 0 | 112.5 | S88 A116 N117 R122 P138 V139 | V86-S88 VanDerWaalsContact C-N 3.28Å; V86-S88 PolarHBondContact O-N 3.35Å; V86-A116 HydrophobicContact CG2-CB 3.88Å; V86-N117 WeakPolarHBondContact CG2-O 3.3Å; V86-N117 PolarHBondContact N-O 3.38Å; V86-R122 HydrophobicContact CG1-CB 3.82Å; V86-R122 HydrophobicContact CG1-CG 4.24Å; V86-P138 HydrophobicContact CG1-CB 4.11Å; V86-P138 CarbonylContact O-C 3.56Å; V86-P138 WeakPolarHBondContact O-CA 3.41Å; V86-V139 PolarHBondContact O-N 3.49Å |
| 87 | D | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 20% | 0.198 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.4 | 176.8 | 70 | -21.1 | 0 | 0 | 0 | 114.1 | S85 K118 L121 V127 | S85-D87 WeakPolarHBondContact CB-OD1 3.37Å; S85-D87 PolarHBondContact O-N 2.94Å; S85-D87 PolarHBondContact OG-OD1 3.31Å; D87-K118 IonicContact OD1-NZ 2.96Å; D87-K118 PolarHBondContact OD1-NZ 3.08Å; D87-K118 VanDerWaalsContact OD1-NZ 3.16Å; D87-K118 IonicContact OD2-NZ 3.85Å; D87-K118 PolarHBondContact OD2-NZ 3.28Å; D87-L121 HydrophobicContact CB-CB 4.17Å; D87-L121 HydrophobicContact CB-CD1 3.79Å; D87-L121 VanDerWaalsContact OD2-CD1 3.3Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.39Å; D87-V127 HydrophobicContact CB-CG1 3.69Å |
| 88 | S | 98.6 | Very high | 98.6 | Very high | 40 Ų | 40 | 28 Ų | 28 | 28% | 0.28 | 15% | 0.146 | S | C | . | . | trans | -138.5 | 90.7 | -177.8 | 178.9 | 0 | 0 | 0 | 0 | 111 | S85 V86 D90 S91 | S85-S88 CarbonylContact O-C 3.5Å; S85-S88 PolarHBondContact O-N 2.96Å; V86-S88 VanDerWaalsContact C-N 3.28Å; V86-S88 PolarHBondContact O-N 3.35Å; S88-D90 VanDerWaalsContact C-N 3.26Å; S88-D90 PolarHBondContact O-N 2.82Å; S88-S91 WeakPolarHBondContact O-CB 3.18Å; S88-S91 PolarHBondContact O-N 3.47Å; S88-S91 PolarHBondContact O-OG 3.35Å; S88-S91 PolarHBondContact OG-N 2.7Å | ||
| 89 | P | 98.4 | Very high | 98.6 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 13% | 0.13 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.2 | -39.3 | 176.2 | -29.5 | 39.6 | 0 | 0 | 0 | 113.5 | S91 L92 E93 L131 Q136 E137 V139 | P89-S91 PolarHBondContact O-N 2.89Å; P89-L92 WeakPolarHBondContact O-CA 3.32Å; P89-L92 WeakPolarHBondContact O-CB 3.39Å; P89-L92 PolarHBondContact O-N 3.17Å; P89-E93 PolarHBondContact O-N 2.76Å; P89-E93 VanDerWaalsContact O-N 3.14Å; P89-L131 HydrophobicContact CG-CD2 4.44Å; P89-Q136 HydrophobicContact CG-CB 4.24Å; P89-E137 WeakPolarHBondContact CG-O 3.49Å; P89-V139 HydrophobicContact CB-CG2 4.41Å; P89-V139 HydrophobicContact CG-CG2 4.33Å |
| 90 | D | 98.3 | Very high | 98.6 | Very high | 75 Ų | 75 | 27.2 Ų | 27.2 | 40% | 0.401 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -55.7 | -38.1 | 176 | -57.6 | 0.5 | 0 | 0 | 0 | 111.7 | S88 L92 E93 N94 Q136 | S88-D90 VanDerWaalsContact C-N 3.26Å; S88-D90 PolarHBondContact O-N 2.82Å; D90-L92 PolarHBondContact O-N 3.19Å; D90-E93 PolarHBondContact O-N 3.26Å; D90-E93 VanDerWaalsContact O-N 3.08Å; D90-N94 VanDerWaalsContact O-CG 3.29Å; D90-N94 PolarHBondContact O-N 3.27Å; D90-N94 PolarHBondContact O-ND2 3Å; D90-Q136 PolarHBondContact OD1-NE2 2.9Å |
| 91 | S | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.4 | -24.9 | 177.9 | 74.8 | 0 | 0 | 0 | 0 | 113.6 | D13 F84 S85 S88 P89 | D13-S91 VanDerWaalsContact OD2-CA 3.31Å; D13-S91 WeakPolarHBondContact OD2-CA 3.5Å; D13-S91 WeakPolarHBondContact OD2-CB 3.43Å; F84-S91 WeakPolarHBondContact CB-O 3.28Å; S85-S91 PolarHBondContact N-OG 2.87Å; S85-S91 PolarHBondContact O-OG 3.04Å; S88-S91 WeakPolarHBondContact O-CB 3.18Å; S88-S91 PolarHBondContact O-N 3.47Å; S88-S91 PolarHBondContact O-OG 3.35Å; S88-S91 PolarHBondContact OG-N 2.7Å; P89-S91 PolarHBondContact O-N 2.89Å |
| 92 | L | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 9% | 0.089 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.2 | -40.4 | 170 | -179.5 | 67.5 | 0 | 0 | 0 | 111 | F84 P89 D90 N94 I95 V139 D143 M147 | F84-L92 HydrophobicContact CD1-CD1 3.83Å; F84-L92 HydrophobicContact CD2-CB 3.91Å; F84-L92 HydrophobicContact CD2-CD1 4.08Å; F84-L92 HydrophobicContact CE1-CD1 3.71Å; F84-L92 HydrophobicContact CE2-CB 4.3Å; F84-L92 HydrophobicContact CE2-CD1 4.01Å; F84-L92 HydrophobicContact CG-CB 4.24Å; F84-L92 HydrophobicContact CG-CD1 4Å; F84-L92 HydrophobicContact CZ-CD1 3.79Å; P89-L92 WeakPolarHBondContact O-CA 3.32Å; P89-L92 WeakPolarHBondContact O-CB 3.39Å; P89-L92 PolarHBondContact O-N 3.17Å; D90-L92 PolarHBondContact O-N 3.19Å; L92-N94 VanDerWaalsContact C-N 3.28Å; L92-N94 PolarHBondContact O-N 2.95Å; L92-I95 HydrophobicContact CD1-CG1 4.36Å; L92-I95 VanDerWaalsContact O-CB 3.23Å; L92-I95 WeakPolarHBondContact O-CB 3.48Å; L92-I95 WeakPolarHBondContact O-CG1 3.41Å; L92-I95 PolarHBondContact O-N 3.36Å; L92-I95 VanDerWaalsContact O-N 3.15Å; L92-V139 HydrophobicContact CB-CG2 4.39Å; L92-V139 HydrophobicContact CD2-CG1 3.74Å; L92-V139 HydrophobicContact CD2-CG2 4.45Å; L92-D143 HydrophobicContact CD2-CB 4.21Å; L92-M147 HydrophobicContact CD1-CB 3.83Å; L92-M147 HydrophobicContact CD1-CE 4.25Å; L92-M147 HydrophobicContact CD1-CG 3.74Å; L92-M147 HydrophobicContact CG-CE 4.05Å |
| 93 | E | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 31.7 Ų | 31.7 | 53% | 0.528 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.2 | -35.6 | 177.6 | -64.7 | -174.6 | 168.6 | 0 | 0 | 111.8 | P89 D90 I95 P96 E97 | P89-E93 PolarHBondContact O-N 2.76Å; P89-E93 VanDerWaalsContact O-N 3.14Å; D90-E93 PolarHBondContact O-N 3.26Å; D90-E93 VanDerWaalsContact O-N 3.08Å; E93-I95 PolarHBondContact O-N 2.95Å; E93-P96 WeakPolarHBondContact O-CD 3.25Å; E93-P96 WeakPolarHBondContact O-CG 3.32Å; E93-E97 WeakPolarHBondContact O-CG 3.33Å |
| 94 | N | 98.8 | Very high | 98.5 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 27% | 0.267 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.7 | -17.1 | 175.6 | -71.2 | -26.9 | 0 | 0 | 0 | 113.8 | D13 D90 L92 E97 K98 W99 | D13-N94 PolarHBondContact OD2-ND2 3.22Å; D90-N94 VanDerWaalsContact O-CG 3.29Å; D90-N94 PolarHBondContact O-N 3.27Å; D90-N94 PolarHBondContact O-ND2 3Å; L92-N94 VanDerWaalsContact C-N 3.28Å; L92-N94 PolarHBondContact O-N 2.95Å; N94-E97 PolarHBondContact O-N 3.19Å; N94-K98 WeakPolarHBondContact O-CB 3.28Å; N94-K98 PolarHBondContact O-N 3.5Å; N94-W99 PolarHBondContact O-N 2.99Å |
| 95 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -56.9 | -61.6 | 178.7 | -66.2 | -55.9 | 0 | 0 | 0 | 111.7 | M82 F84 L92 E93 E97 W99 V100 L114 M147 I151 | M82-I95 HydrophobicContact CG-CD1 3.71Å; M82-I95 HydrophobicContact SD-CD1 4.18Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; F84-I95 HydrophobicContact CB-CD1 4.22Å; F84-I95 HydrophobicContact CB-CG1 4.28Å; F84-I95 HydrophobicContact CD1-CG1 4.48Å; L92-I95 HydrophobicContact CD1-CG1 4.36Å; L92-I95 VanDerWaalsContact O-CB 3.23Å; L92-I95 WeakPolarHBondContact O-CB 3.48Å; L92-I95 WeakPolarHBondContact O-CG1 3.41Å; L92-I95 PolarHBondContact O-N 3.36Å; L92-I95 VanDerWaalsContact O-N 3.15Å; E93-I95 PolarHBondContact O-N 2.95Å; I95-E97 VanDerWaalsContact C-N 3.34Å; I95-W99 HydrophobicContact CD1-CB 4.48Å; I95-W99 HydrophobicContact CD1-CG 4.45Å; I95-W99 PolarHBondContact O-N 2.99Å; I95-V100 HydrophobicContact CG2-CG2 4.06Å; I95-V100 WeakPolarHBondContact O-CB 3.32Å; I95-V100 WeakPolarHBondContact O-CG2 3.24Å; I95-V100 PolarHBondContact O-N 3.28Å; I95-L114 HydrophobicContact CD1-CD1 4.14Å; I95-L114 HydrophobicContact CG1-CD1 4.12Å; I95-L114 HydrophobicContact CG2-CD1 4.07Å; I95-M147 HydrophobicContact CB-CG 4.41Å; I95-M147 HydrophobicContact CG2-CG 4.06Å; I95-M147 HydrophobicContact CG2-SD 4.37Å; I95-I151 HydrophobicContact CG2-CD1 3.78Å; I95-I151 HydrophobicContact CG2-CG2 4.16Å |
| 96 | P | 98.4 | Very high | 98.4 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -72.4 | -25 | 178.9 | 28.9 | -37.7 | 0 | 0 | 0 | 113.6 | E93 P101 M147 I151 | E93-P96 WeakPolarHBondContact O-CD 3.25Å; E93-P96 WeakPolarHBondContact O-CG 3.32Å; P96-P101 VanDerWaalsContact O-CD 3.28Å; P96-P101 WeakPolarHBondContact O-CD 3.4Å; P96-M147 HydrophobicContact CB-SD 4.42Å; P96-M147 HydrophobicContact CG-CE 3.9Å; P96-M147 HydrophobicContact CG-SD 3.93Å; P96-I151 HydrophobicContact CB-CG2 4.49Å |
| 97 | E | 97.8 | Very high | 98.3 | Very high | 141 Ų | 141 | 47.9 Ų | 47.9 | 66% | 0.659 | 24% | 0.242 | S | C | * | . | I | π-helix | trans | -81.9 | -38.6 | -174.4 | -65.3 | -170.1 | 175.1 | 0 | 0 | 113.1 | E93 N94 I95 | E93-E97 WeakPolarHBondContact O-CG 3.33Å; N94-E97 PolarHBondContact O-N 3.19Å; I95-E97 VanDerWaalsContact C-N 3.34Å |
| 98 | K | 97.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -117.6 | -58.7 | -175.7 | 177.7 | 173.8 | 179.7 | 159.6 | 0 | 112.5 | D67 N94 P101 E102 | D67-K98 WeakPolarHBondContact OD1-CE 3.41Å; D67-K98 IonicContact OD1-NZ 3.17Å; D67-K98 PolarHBondContact OD1-NZ 2.82Å; D67-K98 IonicContact OD2-NZ 2.83Å; D67-K98 PolarHBondContact OD2-NZ 3.32Å; D67-K98 VanDerWaalsContact OD2-NZ 3.17Å; N94-K98 WeakPolarHBondContact O-CB 3.28Å; N94-K98 PolarHBondContact O-N 3.5Å; K98-P101 WeakPolarHBondContact O-CD 3.46Å; K98-E102 WeakPolarHBondContact O-CB 3.46Å; K98-E102 PolarHBondContact O-N 2.98Å; K98-E102 VanDerWaalsContact O-N 3.17Å |
| 99 | W | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -72 | -39.9 | -165 | -62.6 | 110.9 | 0 | 0 | 0 | 113.3 | V11 G12 D13 M82 N94 I95 V103 | V11-W99 HydrophobicContact CB-CE3 3.87Å; V11-W99 HydrophobicContact CB-CZ3 4.08Å; V11-W99 HydrophobicContact CG2-CE3 4.23Å; G12-W99 VanDerWaalsContact CA-CE2 3.41Å; G12-W99 WeakPolarHBondContact O-CH2 3.09Å; G12-W99 WeakPolarHBondContact O-CZ2 3.46Å; D13-W99 PolarHBondContact OD1-NE1 2.93Å; M82-W99 HydrophobicContact CE-CB 3.93Å; M82-W99 HydrophobicContact CG-CB 4.19Å; M82-W99 HydrophobicContact SD-CB 3.93Å; N94-W99 PolarHBondContact O-N 2.99Å; I95-W99 HydrophobicContact CD1-CB 4.48Å; I95-W99 HydrophobicContact CD1-CG 4.45Å; I95-W99 PolarHBondContact O-N 2.99Å; W99-V103 WeakPolarHBondContact O-CB 3.33Å; W99-V103 VanDerWaalsContact O-CG2 3.31Å; W99-V103 WeakPolarHBondContact O-CG2 3.26Å; W99-V103 PolarHBondContact O-N 3.48Å |
| 100 | V | 98.6 | Very high | 97.9 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.085 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -49.8 | 177 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | M82 I95 E102 V103 K104 I151 | M82-V100 HydrophobicContact CE-CG2 4.03Å; M82-V100 HydrophobicContact SD-CG2 3.76Å; I95-V100 HydrophobicContact CG2-CG2 4.06Å; I95-V100 WeakPolarHBondContact O-CB 3.32Å; I95-V100 WeakPolarHBondContact O-CG2 3.24Å; I95-V100 PolarHBondContact O-N 3.28Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.41Å; V100-V103 PolarHBondContact O-N 3.46Å; V100-K104 HydrophobicContact CG1-CD 3.83Å; V100-K104 HydrophobicContact CG1-CG 4.26Å; V100-K104 VanDerWaalsContact O-CB 3.32Å; V100-K104 WeakPolarHBondContact O-CB 3.1Å; V100-K104 WeakPolarHBondContact O-CG 3.22Å; V100-K104 PolarHBondContact O-N 2.99Å; V100-I151 HydrophobicContact CG2-CB 3.8Å; V100-I151 HydrophobicContact CG2-CD1 4.03Å; V100-I151 HydrophobicContact CG2-CG1 4.49Å; V100-I151 HydrophobicContact CG2-CG2 3.72Å |
| 101 | P | 98.4 | Very high | 97.9 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.2 | -45.4 | 174.6 | -29.2 | 35.6 | 0 | 0 | 0 | 113.4 | P96 K98 H105 | P96-P101 VanDerWaalsContact O-CD 3.28Å; P96-P101 WeakPolarHBondContact O-CD 3.4Å; K98-P101 WeakPolarHBondContact O-CD 3.46Å; P101-H105 WeakPolarHBondContact O-CB 3.47Å; P101-H105 PolarHBondContact O-N 2.93Å |
| 102 | E | 98.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -52.3 | 179.9 | -172.7 | 177.6 | 128.7 | 0 | 0 | 111.7 | R70 Y74 K98 V100 K104 H105 F106 | R70-E102 VanDerWaalsContact CD-OE1 3.31Å; R70-E102 WeakPolarHBondContact CD-OE1 3.42Å; R70-E102 IonicContact CZ-OE1 2.93Å; R70-E102 IonicContact NE-OE1 3.98Å; R70-E102 VanDerWaalsContact NH1-CD 3.32Å; R70-E102 IonicContact NH1-OE1 3.26Å; R70-E102 PolarHBondContact NH1-OE1 3.16Å; R70-E102 IonicContact NH1-OE2 2.9Å; R70-E102 PolarHBondContact NH1-OE2 2.89Å; Y74-E102 HydrophobicContact CE2-CG 4.16Å; Y74-E102 PolarHBondContact OH-OE1 2.69Å; K98-E102 WeakPolarHBondContact O-CB 3.46Å; K98-E102 PolarHBondContact O-N 2.98Å; K98-E102 VanDerWaalsContact O-N 3.17Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.41Å; E102-K104 PolarHBondContact O-N 3.17Å; E102-H105 WeakPolarHBondContact O-CB 3.31Å; E102-H105 PolarHBondContact O-N 3.26Å; E102-F106 HydrophobicContact CG-CD2 4.09Å; E102-F106 HydrophobicContact CG-CE2 4.14Å; E102-F106 WeakPolarHBondContact O-CD2 3.4Å; E102-F106 PolarHBondContact O-N 2.89Å |
| 103 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | -179.4 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | V11 I80 M82 W99 V100 H105 F106 C107 I112 | V11-V103 HydrophobicContact CG2-CG2 3.89Å; I80-V103 HydrophobicContact CB-CG1 4.46Å; I80-V103 HydrophobicContact CD1-CG1 4.32Å; I80-V103 HydrophobicContact CG1-CG1 3.83Å; I80-V103 HydrophobicContact CG2-CG1 4.32Å; I80-V103 HydrophobicContact CG2-CG2 4.26Å; M82-V103 HydrophobicContact CE-CB 4.01Å; M82-V103 HydrophobicContact CE-CG1 4.47Å; M82-V103 HydrophobicContact CE-CG2 3.74Å; W99-V103 WeakPolarHBondContact O-CB 3.33Å; W99-V103 VanDerWaalsContact O-CG2 3.31Å; W99-V103 WeakPolarHBondContact O-CG2 3.26Å; W99-V103 PolarHBondContact O-N 3.48Å; V100-V103 PolarHBondContact O-N 3.46Å; V103-H105 PolarHBondContact O-N 2.86Å; V103-F106 PolarHBondContact O-N 2.88Å; V103-C107 HydrophobicContact CG1-CB 4.14Å; V103-C107 CarbonylContact O-C 3.58Å; V103-C107 VanDerWaalsContact O-CA 3.24Å; V103-C107 WeakPolarHBondContact O-CA 3.23Å; V103-C107 VanDerWaalsContact O-CB 3.25Å; V103-C107 WeakPolarHBondContact O-CB 3.48Å; V103-C107 PolarHBondContact O-N 2.86Å; V103-I112 HydrophobicContact CG1-CD1 3.83Å; V103-I112 HydrophobicContact CG1-CG1 4.06Å |
| 104 | K | 97.5 | Very high | 97.9 | Very high | 105 Ų | 105 | 46.6 Ų | 46.6 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.5 | -26.7 | 178.3 | -74.1 | -172.5 | 176.3 | 177.8 | 0 | 112.7 | V100 E102 P108 | V100-K104 HydrophobicContact CG1-CD 3.83Å; V100-K104 HydrophobicContact CG1-CG 4.26Å; V100-K104 VanDerWaalsContact O-CB 3.32Å; V100-K104 WeakPolarHBondContact O-CB 3.1Å; V100-K104 WeakPolarHBondContact O-CG 3.22Å; V100-K104 PolarHBondContact O-N 2.99Å; E102-K104 PolarHBondContact O-N 3.17Å; K104-P108 WeakPolarHBondContact O-CA 3.44Å |
| 105 | H | 97.9 | Very high | 97.9 | Very high | 139 Ų | 139 | 44.2 Ų | 44.2 | 64% | 0.644 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69.5 | -48.7 | 174.6 | -177.7 | 76.3 | 0 | 0 | 0 | 112 | P101 E102 V103 | P101-H105 WeakPolarHBondContact O-CB 3.47Å; P101-H105 PolarHBondContact O-N 2.93Å; E102-H105 WeakPolarHBondContact O-CB 3.31Å; E102-H105 PolarHBondContact O-N 3.26Å; V103-H105 PolarHBondContact O-N 2.86Å |
| 106 | F | 98.2 | Very high | 97.9 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -92.1 | -21.7 | -175 | -65.4 | -72.4 | 0 | 0 | 0 | 114.5 | P71 Y74 E102 V103 | P71-F106 HydrophobicContact CB-CD1 4.13Å; P71-F106 HydrophobicContact CB-CD2 4.3Å; P71-F106 HydrophobicContact CB-CE1 3.68Å; P71-F106 HydrophobicContact CB-CE2 3.86Å; P71-F106 HydrophobicContact CB-CG 4.43Å; P71-F106 HydrophobicContact CB-CZ 3.53Å; P71-F106 HydrophobicContact CG-CD2 4.3Å; P71-F106 HydrophobicContact CG-CE1 4.18Å; P71-F106 HydrophobicContact CG-CE2 3.56Å; P71-F106 HydrophobicContact CG-CZ 3.49Å; P71-F106 VanDerWaalsContact CG-CZ 3.49Å; Y74-F106 HydrophobicContact CD2-CB 3.3Å; Y74-F106 HydrophobicContact CD2-CD1 4.35Å; Y74-F106 AromaticContact CD2-CD2 3.56Å; Y74-F106 HydrophobicContact CD2-CD2 3.56Å; Y74-F106 HydrophobicContact CD2-CE2 4.47Å; Y74-F106 AromaticContact CD2-CG 3.49Å; Y74-F106 HydrophobicContact CD2-CG 3.49Å; Y74-F106 VanDerWaalsContact CD2-CG 3.49Å; Y74-F106 HydrophobicContact CE2-CB 4.09Å; Y74-F106 AromaticContact CE2-CD2 3.61Å; Y74-F106 HydrophobicContact CE2-CD2 3.61Å; Y74-F106 HydrophobicContact CE2-CE2 4.35Å; Y74-F106 HydrophobicContact CE2-CG 4.06Å; Y74-F106 HydrophobicContact CG-CB 3.85Å; Y74-F106 HydrophobicContact CG-CG 4.46Å; E102-F106 HydrophobicContact CG-CD2 4.09Å; E102-F106 HydrophobicContact CG-CE2 4.14Å; E102-F106 WeakPolarHBondContact O-CD2 3.4Å; E102-F106 PolarHBondContact O-N 2.89Å; V103-F106 PolarHBondContact O-N 2.88Å |
| 107 | C | 97.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | trans | -134.9 | 55.8 | -173.4 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | V103 N109 V110 | V103-C107 HydrophobicContact CG1-CB 4.14Å; V103-C107 CarbonylContact O-C 3.58Å; V103-C107 VanDerWaalsContact O-CA 3.24Å; V103-C107 WeakPolarHBondContact O-CA 3.23Å; V103-C107 VanDerWaalsContact O-CB 3.25Å; V103-C107 WeakPolarHBondContact O-CB 3.48Å; V103-C107 PolarHBondContact O-N 2.86Å; C107-N109 PolarHBondContact O-N 2.9Å; C107-V110 HydrophobicContact CB-CB 3.85Å; C107-V110 HydrophobicContact CB-CG2 3.6Å; C107-V110 PolarHBondContact O-N 3.21Å; C107-V110 VanDerWaalsContact O-N 3.15Å | ||
| 108 | P | 94.8 | Very high | 98 | Very high | 87 Ų | 87 | 39 Ų | 39 | 57% | 0.565 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.4 | -165.5 | 22.4 | -35.1 | 0 | 0 | 0 | 116 | K104 | K104-P108 WeakPolarHBondContact O-CA 3.44Š|
| 109 | N | 93 | Very high | 98 | Very high | 125 Ų | 125 | 42.2 Ų | 42.2 | 67% | 0.668 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.4 | 17.4 | -177.1 | -59.6 | -56.5 | 0 | 0 | 0 | 112.7 | C107 | C107-N109 PolarHBondContact O-N 2.9Š|
| 110 | V | 97.9 | Very high | 98 | Very high | 17 Ų | 17 | 44.7 Ų | 44.7 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | trans | -92.2 | 128.7 | -178.8 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | T77 I80 C107 | T77-V110 HydrophobicContact CG2-CG1 4.07Å; T77-V110 WeakPolarHBondContact O-CG2 3.48Å; I80-V110 HydrophobicContact CG1-CB 4.49Å; I80-V110 HydrophobicContact CG1-CG1 3.85Å; C107-V110 HydrophobicContact CB-CB 3.85Å; C107-V110 HydrophobicContact CB-CG2 3.6Å; C107-V110 PolarHBondContact O-N 3.21Å; C107-V110 VanDerWaalsContact O-N 3.15Å | ||
| 111 | P | 98.3 | Very high | 98 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 22% | 0.221 | 23% | 0.228 | C | C | . | . | trans | -63.1 | 139.9 | 177.1 | 26.1 | -33.9 | 0 | 0 | 0 | 110.9 | D78 V79 I80 Y154 A177 | D78-P111 WeakPolarHBondContact O-CD 3.18Å; V79-P111 HydrophobicContact CB-CG 4.32Å; V79-P111 HydrophobicContact CG2-CG 4.22Å; I80-P111 PolarHBondContact N-O 2.79Å; P111-Y154 HydrophobicContact CB-CD2 4.45Å; P111-A177 HydrophobicContact CB-CB 4.08Å; P111-A177 HydrophobicContact CG-CB 4.04Å | ||
| 112 | I | 98.8 | Very high | 98 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.6 | 177.3 | -62.7 | 167.5 | 0 | 0 | 0 | 108.1 | I80 M82 V103 A153 Y154 | I80-I112 HydrophobicContact CB-CG1 4.17Å; I80-I112 HydrophobicContact CG2-CG1 4.4Å; M82-I112 HydrophobicContact CB-CG2 3.64Å; M82-I112 HydrophobicContact CE-CD1 4.01Å; M82-I112 HydrophobicContact CE-CG2 4.08Å; M82-I112 HydrophobicContact SD-CG2 4.15Å; V103-I112 HydrophobicContact CG1-CD1 3.83Å; V103-I112 HydrophobicContact CG1-CG1 4.06Å; I112-A153 CarbonylContact O-C 3.4Å; I112-A153 WeakPolarHBondContact O-CA 3.42Å; I112-Y154 WeakPolarHBondContact O-CB 3.36Å; I112-Y154 PolarHBondContact O-N 3.45Å |
| 113 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.8 | 163.2 | -46.2 | -51.5 | 0 | 0 | 0 | 107.2 | V79 I80 L81 M82 V115 Y154 L157 T173 A174 A177 | V79-I113 HydrophobicContact CG2-CG1 4.11Å; I80-I113 PolarHBondContact O-N 2.78Å; L81-I113 HydrophobicContact CD2-CB 3.68Å; L81-I113 HydrophobicContact CD2-CG1 3.9Å; L81-I113 HydrophobicContact CD2-CG2 4.26Å; M82-I113 PolarHBondContact N-O 2.82Å; I113-V115 HydrophobicContact CB-CG2 4.46Å; I113-V115 HydrophobicContact CG2-CG2 3.98Å; I113-Y154 HydrophobicContact CD1-CD1 3.48Å; I113-Y154 VanDerWaalsContact CD1-CD1 3.48Å; I113-Y154 HydrophobicContact CD1-CE1 4.42Å; I113-Y154 HydrophobicContact CD1-CG 3.97Å; I113-L157 HydrophobicContact CG2-CD1 4.11Å; I113-T173 HydrophobicContact CD1-CG2 4.15Å; I113-A174 HydrophobicContact CG1-CB 3.99Å; I113-A177 HydrophobicContact CD1-CB 4.06Å |
| 114 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 125.7 | 172.1 | -175.6 | 66.4 | 0 | 0 | 0 | 108.8 | M82 F84 I95 G144 M147 A148 I151 A153 D155 Y156 L157 | M82-L114 HydrophobicContact CG-CD1 4.33Å; F84-L114 HydrophobicContact CD1-CD1 3.93Å; F84-L114 HydrophobicContact CD1-CG 4.28Å; F84-L114 HydrophobicContact CE1-CD1 4.14Å; F84-L114 HydrophobicContact CE1-CD2 4.21Å; F84-L114 HydrophobicContact CE1-CG 3.99Å; I95-L114 HydrophobicContact CD1-CD1 4.14Å; I95-L114 HydrophobicContact CG1-CD1 4.12Å; I95-L114 HydrophobicContact CG2-CD1 4.07Å; L114-G144 WeakPolarHBondContact CD2-O 3.46Å; L114-M147 HydrophobicContact CD2-CB 3.92Å; L114-M147 HydrophobicContact CD2-CG 3.91Å; L114-A148 HydrophobicContact CB-CB 4.3Å; L114-A148 HydrophobicContact CD2-CB 3.89Å; L114-I151 HydrophobicContact CB-CD1 4.46Å; L114-I151 HydrophobicContact CD1-CD1 4.2Å; L114-I151 HydrophobicContact CD2-CD1 4.39Å; L114-A153 HydrophobicContact CB-CB 4.15Å; L114-D155 PolarHBondContact N-O 2.87Å; L114-Y156 HydrophobicContact CB-CD2 4.23Å; L114-Y156 HydrophobicContact CD2-CD2 3.94Å; L114-Y156 HydrophobicContact CD2-CE2 4.4Å; L114-Y156 HydrophobicContact CG-CD2 4.02Å; L114-Y156 WeakPolarHBondContact O-CA 3.5Å; L114-L157 PolarHBondContact O-N 3.18Å |
| 115 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.9 | -175.1 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | L21 L81 M82 C83 F84 I113 L157 V170 | L21-V115 HydrophobicContact CD2-CG1 4.32Å; L81-V115 HydrophobicContact CB-CG2 4.49Å; L81-V115 HydrophobicContact CD2-CG2 4.05Å; M82-V115 PolarHBondContact O-N 2.94Å; C83-V115 WeakPolarHBondContact CA-O 3.38Å; F84-V115 WeakPolarHBondContact CD1-O 3.39Å; F84-V115 PolarHBondContact N-O 3.18Å; I113-V115 HydrophobicContact CB-CG2 4.46Å; I113-V115 HydrophobicContact CG2-CG2 3.98Å; V115-L157 CarbonylContact C-O 3.54Å; V115-L157 WeakPolarHBondContact CA-O 3.45Å; V115-V170 HydrophobicContact CG1-CG1 4.49Å; V115-V170 HydrophobicContact CG1-CG2 4.02Å; V115-V170 HydrophobicContact CG2-CG1 3.99Å; V115-V170 HydrophobicContact CG2-CG2 4.45Å |
| 116 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F84 V86 Y156 L157 E158 C159 | F84-A116 HydrophobicContact CE1-CB 3.74Å; F84-A116 HydrophobicContact CE2-CB 3.69Å; F84-A116 HydrophobicContact CZ-CB 3.25Å; V86-A116 HydrophobicContact CG2-CB 3.88Å; A116-Y156 HydrophobicContact CB-CE2 4.03Å; A116-Y156 WeakPolarHBondContact CB-OH 3.46Å; A116-L157 PolarHBondContact N-O 3.45Å; A116-E158 HydrophobicContact CB-CB 4.28Å; A116-E158 HydrophobicContact CB-CG 3.95Å; A116-E158 WeakPolarHBondContact O-CA 3.23Å; A116-C159 PolarHBondContact O-N 3.31Å |
| 117 | N | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 167.2 | 175.9 | -69.9 | -27.3 | 0 | 0 | 0 | 111.6 | C16 F84 V86 R119 C159 | C16-N117 WeakPolarHBondContact O-CB 3.33Å; C16-N117 PolarHBondContact O-ND2 3.32Å; F84-N117 PolarHBondContact O-N 2.93Å; V86-N117 WeakPolarHBondContact CG2-O 3.3Å; V86-N117 PolarHBondContact N-O 3.38Å; N117-R119 VanDerWaalsContact C-N 3.3Å; N117-R119 PolarHBondContact O-N 3.27Å; N117-C159 CarbonylContact C-O 3.44Å; N117-C159 PolarHBondContact OD1-SG 2.56Å; N117-C159 VanDerWaalsContact OD1-SG 3.34Å |
| 118 | K | 98.6 | Very high | 97.9 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | trans | 57.7 | 39.6 | 176 | -44.6 | -171.1 | -154.4 | 160.3 | 0 | 113.2 | A15 S85 D87 D120 L121 C159 | A15-K118 WeakPolarHBondContact O-CE 3.44Å; A15-K118 PolarHBondContact O-NZ 3.04Å; S85-K118 WeakPolarHBondContact OG-CD 3.47Å; S85-K118 WeakPolarHBondContact OG-CE 3.42Å; S85-K118 WeakPolarHBondContact OG-CG 3.47Å; S85-K118 PolarHBondContact OG-NZ 3.22Å; D87-K118 IonicContact OD1-NZ 2.96Å; D87-K118 PolarHBondContact OD1-NZ 3.08Å; D87-K118 VanDerWaalsContact OD1-NZ 3.16Å; D87-K118 IonicContact OD2-NZ 3.85Å; D87-K118 PolarHBondContact OD2-NZ 3.28Å; K118-D120 WeakPolarHBondContact CA-OD1 3.14Å; K118-D120 PolarHBondContact O-N 2.77Å; K118-D120 VanDerWaalsContact O-N 3.08Å; K118-L121 HydrophobicContact CB-CD1 3.8Å; K118-L121 HydrophobicContact CB-CG 4.07Å; K118-L121 HydrophobicContact CD-CD1 3.68Å; K118-L121 HydrophobicContact CG-CD1 4.38Å; K118-L121 WeakPolarHBondContact O-CB 3.34Å; K118-L121 PolarHBondContact O-N 3.43Å; K118-C159 PolarHBondContact N-O 2.76Å; K118-C159 VanDerWaalsContact N-O 3.1Å | ||
| 119 | R | 98.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 55 Ų | 55 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -51.8 | -32.4 | 178 | -176.9 | -174.3 | 178.5 | -163.4 | 2.4 | 113.2 | N117 L121 R122 E158 C159 D165 | N117-R119 VanDerWaalsContact C-N 3.3Å; N117-R119 PolarHBondContact O-N 3.27Å; R119-L121 PolarHBondContact O-N 3.23Å; R119-R122 WeakPolarHBondContact O-CB 3.11Å; R119-R122 PolarHBondContact O-N 2.92Å; R119-E158 HydrophobicContact CB-CB 4.48Å; R119-E158 HydrophobicContact CG-CB 4.32Å; R119-E158 IonicContact NE-OE2 2.88Å; R119-C159 WeakPolarHBondContact CB-O 3.41Å; R119-C159 PolarHBondContact N-O 2.94Å; R119-D165 WeakPolarHBondContact CD-OD2 3.2Å; R119-D165 IonicContact CZ-OD2 2.86Å; R119-D165 IonicContact NE-OD2 3.24Å; R119-D165 IonicContact NH1-OD1 3.64Å; R119-D165 IonicContact NH1-OD2 2.86Å; R119-D165 PolarHBondContact NH1-OD2 3.2Å |
| 120 | D | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -56.8 | -27.5 | 176.5 | 56.3 | -66.7 | 0 | 0 | 0 | 113.3 | K118 R122 S160 T163 | K118-D120 WeakPolarHBondContact CA-OD1 3.14Å; K118-D120 PolarHBondContact O-N 2.77Å; K118-D120 VanDerWaalsContact O-N 3.08Å; D120-R122 VanDerWaalsContact C-N 3.34Å; D120-R122 PolarHBondContact O-N 3.25Å; D120-S160 VanDerWaalsContact CG-OG 3.25Å; D120-S160 WeakPolarHBondContact OD1-CB 3.17Å; D120-S160 PolarHBondContact OD1-OG 3.08Å; D120-T163 HydrophobicContact CB-CG2 4.11Å |
| 121 | L | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -80.6 | -8.6 | -177.6 | -60.3 | -175.4 | 0 | 0 | 0 | 114.3 | D87 K118 R119 N123 D124 V127 | D87-L121 HydrophobicContact CB-CB 4.17Å; D87-L121 HydrophobicContact CB-CD1 3.79Å; D87-L121 VanDerWaalsContact OD2-CD1 3.3Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.39Å; K118-L121 HydrophobicContact CB-CD1 3.8Å; K118-L121 HydrophobicContact CB-CG 4.07Å; K118-L121 HydrophobicContact CD-CD1 3.68Å; K118-L121 HydrophobicContact CG-CD1 4.38Å; K118-L121 WeakPolarHBondContact O-CB 3.34Å; K118-L121 PolarHBondContact O-N 3.43Å; R119-L121 PolarHBondContact O-N 3.23Å; L121-N123 PolarHBondContact O-N 3.47Å; L121-D124 HydrophobicContact CD2-CB 4.23Å; L121-D124 PolarHBondContact O-N 3.32Å; L121-V127 HydrophobicContact CB-CG1 4.48Å; L121-V127 HydrophobicContact CB-CG2 4.17Å; L121-V127 HydrophobicContact CD1-CG2 4.32Å; L121-V127 HydrophobicContact CD2-CG2 4.14Å; L121-V127 HydrophobicContact CG-CG2 4.44Å |
| 122 | R | 98.2 | Very high | 98.2 | Very high | 38 Ų | 38 | 55.1 Ų | 55.1 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -59.2 | -34.9 | -179.3 | -170 | 172.4 | -70.4 | 134.1 | 5.6 | 113.1 | V86 R119 D120 R128 P138 V139 T141 E158 | V86-R122 HydrophobicContact CG1-CB 3.82Å; V86-R122 HydrophobicContact CG1-CG 4.24Å; R119-R122 WeakPolarHBondContact O-CB 3.11Å; R119-R122 PolarHBondContact O-N 2.92Å; D120-R122 VanDerWaalsContact C-N 3.34Å; D120-R122 PolarHBondContact O-N 3.25Å; R122-R128 PolarHBondContact O-NE 2.85Å; R122-R128 PolarHBondContact O-NH2 3.15Å; R122-P138 HydrophobicContact CG-CB 4.34Å; R122-V139 PolarHBondContact NE-O 2.98Å; R122-V139 PolarHBondContact NH2-O 3.49Å; R122-T141 PolarHBondContact NH1-OG1 3.04Å; R122-T141 VanDerWaalsContact NH1-OG1 3.09Å; R122-E158 IonicContact CZ-OE1 3.71Å; R122-E158 IonicContact CZ-OE2 2.72Å; R122-E158 VanDerWaalsContact CZ-OE2 3.24Å; R122-E158 IonicContact NH1-OE1 3.83Å; R122-E158 IonicContact NH1-OE2 3.66Å; R122-E158 PolarHBondContact NH1-OE2 2.92Å; R122-E158 IonicContact NH2-OE1 2.85Å; R122-E158 PolarHBondContact NH2-OE1 2.7Å; R122-E158 IonicContact NH2-OE2 3.22Å; R122-E158 PolarHBondContact NH2-OE2 3.3Å |
| 123 | N | 96.8 | Very high | 98.1 | Very high | 118 Ų | 118 | 63.4 Ų | 63.4 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -108.6 | 6.8 | -177.8 | -62.9 | -35.6 | 0 | 0 | 0 | 112.5 | L121 E125 R128 | L121-N123 PolarHBondContact O-N 3.47Å; N123-E125 PolarHBondContact O-N 3.43Å; N123-R128 PolarHBondContact OD1-NH2 2.88Å |
| 124 | D | 98.1 | Very high | 98 | Very high | 59 Ų | 59 | 69.1 Ų | 69.1 | 32% | 0.316 | 33% | 0.332 | S | S | . | . | trans | -71.9 | 125 | 177 | -176.9 | -77.8 | 0 | 0 | 0 | 110.2 | L121 I126 V127 R128 | L121-D124 HydrophobicContact CD2-CB 4.23Å; L121-D124 PolarHBondContact O-N 3.32Å; D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 3.28Å; D124-I126 WeakPolarHBondContact OD1-CA 3.36Å; D124-I126 VanDerWaalsContact OD1-CB 3.31Å; D124-I126 WeakPolarHBondContact OD1-CB 3.35Å; D124-I126 PolarHBondContact OD1-N 3.48Å; D124-V127 HydrophobicContact CB-CB 4.12Å; D124-V127 HydrophobicContact CB-CG2 4.07Å; D124-V127 PolarHBondContact O-N 2.88Å; D124-V127 PolarHBondContact OD1-N 3.2Å; D124-R128 WeakPolarHBondContact O-CB 3.26Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.24Å | ||
| 125 | E | 97.8 | Very high | 98 | Very high | 163 Ų | 163 | 78.6 Ų | 78.6 | 76% | 0.762 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.7 | -34.2 | -174.9 | -66.9 | -175.8 | 171.6 | 0 | 0 | 112.5 | N123 T129 | N123-E125 PolarHBondContact O-N 3.43Å; E125-T129 WeakPolarHBondContact O-CB 3.39Å; E125-T129 PolarHBondContact O-N 2.92Å; E125-T129 PolarHBondContact O-OG1 3.22Å |
| 126 | I | 97.9 | Very high | 97.9 | Very high | 124 Ų | 124 | 81.3 Ų | 81.3 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.1 | -48.8 | 180 | -59 | 174.6 | 0 | 0 | 0 | 108.7 | D124 R128 T129 E130 | D124-I126 VanDerWaalsContact C-N 3.32Å; D124-I126 PolarHBondContact O-N 3.28Å; D124-I126 WeakPolarHBondContact OD1-CA 3.36Å; D124-I126 VanDerWaalsContact OD1-CB 3.31Å; D124-I126 WeakPolarHBondContact OD1-CB 3.35Å; D124-I126 PolarHBondContact OD1-N 3.48Å; I126-R128 VanDerWaalsContact C-N 3.35Å; I126-R128 PolarHBondContact O-N 3.36Å; I126-T129 PolarHBondContact O-N 3.15Å; I126-E130 PolarHBondContact O-N 2.99Å |
| 127 | V | 97.8 | Very high | 97.9 | Very high | 26 Ų | 26 | 86.3 Ų | 86.3 | 16% | 0.158 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | D87 L121 D124 T129 E130 L131 P138 | D87-V127 HydrophobicContact CB-CG1 3.69Å; L121-V127 HydrophobicContact CB-CG1 4.48Å; L121-V127 HydrophobicContact CB-CG2 4.17Å; L121-V127 HydrophobicContact CD1-CG2 4.32Å; L121-V127 HydrophobicContact CD2-CG2 4.14Å; L121-V127 HydrophobicContact CG-CG2 4.44Å; D124-V127 HydrophobicContact CB-CB 4.12Å; D124-V127 HydrophobicContact CB-CG2 4.07Å; D124-V127 PolarHBondContact O-N 2.88Å; D124-V127 PolarHBondContact OD1-N 3.2Å; V127-T129 VanDerWaalsContact C-N 3.32Å; V127-T129 PolarHBondContact O-N 3.23Å; V127-E130 PolarHBondContact O-N 3.16Å; V127-L131 HydrophobicContact CG1-CD1 3.85Å; V127-L131 HydrophobicContact CG1-CG 4.46Å; V127-L131 WeakPolarHBondContact O-CB 3.37Å; V127-L131 WeakPolarHBondContact O-CG 3.32Å; V127-L131 PolarHBondContact O-N 3.41Å; V127-P138 HydrophobicContact CG1-CG 4.35Å |
| 128 | R | 98.1 | Very high | 97.9 | Very high | 115 Ų | 115 | 86.6 Ų | 86.6 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 176.5 | -76.1 | 177.6 | 172.3 | -162.9 | -2.1 | 112.5 | R122 N123 D124 I126 S132 P138 | R122-R128 PolarHBondContact O-NE 2.85Å; R122-R128 PolarHBondContact O-NH2 3.15Å; N123-R128 PolarHBondContact OD1-NH2 2.88Å; D124-R128 WeakPolarHBondContact O-CB 3.26Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.24Å; I126-R128 VanDerWaalsContact C-N 3.35Å; I126-R128 PolarHBondContact O-N 3.36Å; R128-S132 VanDerWaalsContact O-CB 3.24Å; R128-S132 WeakPolarHBondContact O-CB 3.47Å; R128-S132 PolarHBondContact O-N 3.38Å; R128-P138 HydrophobicContact CG-CG 3.82Å |
| 129 | T | 98.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 84.4 Ų | 84.4 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.1 | -48.3 | 179 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | E125 I126 V127 S132 R133 | E125-T129 WeakPolarHBondContact O-CB 3.39Å; E125-T129 PolarHBondContact O-N 2.92Å; E125-T129 PolarHBondContact O-OG1 3.22Å; I126-T129 PolarHBondContact O-N 3.15Å; V127-T129 VanDerWaalsContact C-N 3.32Å; V127-T129 PolarHBondContact O-N 3.23Å; T129-S132 PolarHBondContact O-N 2.96Å; T129-R133 WeakPolarHBondContact O-CG 3.34Å; T129-R133 PolarHBondContact O-N 3.34Å |
| 130 | E | 97.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 83.3 Ų | 83.3 | 43% | 0.425 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | -179.1 | -69.7 | -57 | 122.8 | 0 | 0 | 112.5 | I126 V127 S132 R133 | I126-E130 PolarHBondContact O-N 2.99Å; V127-E130 PolarHBondContact O-N 3.16Å; E130-S132 VanDerWaalsContact C-N 3.33Å; E130-S132 PolarHBondContact O-N 3.42Å; E130-R133 WeakPolarHBondContact O-CB 3.4Å; E130-R133 PolarHBondContact O-N 2.99Å; E130-R133 IonicContact OE1-NH1 3.97Å; E130-R133 PolarHBondContact OE1-NH1 3.27Å; E130-R133 IonicContact OE2-NH1 3.24Å |
| 131 | L | 97.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 82.2 Ų | 82.2 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 174.3 | -73.4 | 172.4 | 0 | 0 | 0 | 112.1 | P89 V127 R133 M134 K135 Q136 P138 | P89-L131 HydrophobicContact CG-CD2 4.44Å; V127-L131 HydrophobicContact CG1-CD1 3.85Å; V127-L131 HydrophobicContact CG1-CG 4.46Å; V127-L131 WeakPolarHBondContact O-CB 3.37Å; V127-L131 WeakPolarHBondContact O-CG 3.32Å; V127-L131 PolarHBondContact O-N 3.41Å; L131-R133 PolarHBondContact O-N 2.91Å; L131-M134 HydrophobicContact CD2-CE 3.86Å; L131-M134 CarbonylContact O-C 3.45Å; L131-M134 WeakPolarHBondContact O-CA 3.32Å; L131-M134 PolarHBondContact O-N 3.5Å; L131-K135 PolarHBondContact O-N 2.48Å; L131-Q136 CarbonylContact C-O 3.17Å; L131-Q136 HydrophobicContact CB-CB 4.19Å; L131-Q136 HydrophobicContact CD2-CB 4.1Å; L131-Q136 PolarHBondContact O-N 3.1Å; L131-P138 HydrophobicContact CD1-CB 4.29Å; L131-P138 HydrophobicContact CD1-CG 3.81Å |
| 132 | S | 97.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 86.8 Ų | 86.8 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.9 | -32.6 | 178.5 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | R128 T129 E130 M134 K135 Q136 | R128-S132 VanDerWaalsContact O-CB 3.24Å; R128-S132 WeakPolarHBondContact O-CB 3.47Å; R128-S132 PolarHBondContact O-N 3.38Å; T129-S132 PolarHBondContact O-N 2.96Å; E130-S132 VanDerWaalsContact C-N 3.33Å; E130-S132 PolarHBondContact O-N 3.42Å; S132-M134 PolarHBondContact O-N 3.01Å; S132-K135 WeakPolarHBondContact O-CA 3.48Å; S132-K135 PolarHBondContact O-N 2.95Å; S132-Q136 WeakPolarHBondContact CA-O 3.43Å; S132-Q136 PolarHBondContact N-O 2.86Å |
| 133 | R | 97.3 | Very high | 97.9 | Very high | 186 Ų | 186 | 88.6 Ų | 88.6 | 70% | 0.702 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.2 | -28.4 | 173.7 | -63.1 | 170.6 | 84.6 | 169.5 | 3.9 | 112.3 | T129 E130 L131 | T129-R133 WeakPolarHBondContact O-CG 3.34Å; T129-R133 PolarHBondContact O-N 3.34Å; E130-R133 WeakPolarHBondContact O-CB 3.4Å; E130-R133 PolarHBondContact O-N 2.99Å; E130-R133 IonicContact OE1-NH1 3.97Å; E130-R133 PolarHBondContact OE1-NH1 3.27Å; E130-R133 IonicContact OE2-NH1 3.24Å; L131-R133 PolarHBondContact O-N 2.91Å |
| 134 | M | 96.6 | Very high | 98 | Very high | 120 Ų | 120 | 83 Ų | 83 | 59% | 0.591 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 8.4 | 174.3 | -57.7 | -173.4 | -63.6 | 0 | 0 | 112.9 | L131 S132 Q136 | L131-M134 HydrophobicContact CD2-CE 3.86Å; L131-M134 CarbonylContact O-C 3.45Å; L131-M134 WeakPolarHBondContact O-CA 3.32Å; L131-M134 PolarHBondContact O-N 3.5Å; S132-M134 PolarHBondContact O-N 3.01Å; M134-Q136 PolarHBondContact O-N 2.82Å |
| 135 | K | 97.4 | Very high | 98 | Very high | 200 Ų | 200 | 87.8 Ų | 87.8 | 87% | 0.87 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 31.1 | -174.6 | -52.6 | 177.7 | -179.3 | 176.2 | 0 | 113.5 | L131 S132 | L131-K135 PolarHBondContact O-N 2.48Å; S132-K135 WeakPolarHBondContact O-CA 3.48Å; S132-K135 PolarHBondContact O-N 2.95Å |
| 136 | Q | 97.8 | Very high | 98.1 | Very high | 56 Ų | 56 | 82.9 Ų | 82.9 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | trans | -114.4 | 168.5 | 176.3 | -71.5 | -176.9 | -24.3 | 0 | 0 | 110.7 | P89 D90 L131 S132 M134 | P89-Q136 HydrophobicContact CG-CB 4.24Å; D90-Q136 PolarHBondContact OD1-NE2 2.9Å; L131-Q136 CarbonylContact C-O 3.17Å; L131-Q136 HydrophobicContact CB-CB 4.19Å; L131-Q136 HydrophobicContact CD2-CB 4.1Å; L131-Q136 PolarHBondContact O-N 3.1Å; S132-Q136 WeakPolarHBondContact CA-O 3.43Å; S132-Q136 PolarHBondContact N-O 2.86Å; M134-Q136 PolarHBondContact O-N 2.82Å | ||
| 137 | E | 98.1 | Very high | 98.1 | Very high | 105 Ų | 105 | 77.9 Ų | 77.9 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | trans | -137.2 | 157.3 | 171.6 | 62.1 | -179.2 | 159.8 | 0 | 0 | 109.6 | P89 K140 | P89-E137 WeakPolarHBondContact CG-O 3.49Å; E137-K140 VanDerWaalsContact CD-CE 3.41Å; E137-K140 WeakPolarHBondContact OE1-CE 3.46Å; E137-K140 IonicContact OE1-NZ 2.65Å; E137-K140 PolarHBondContact OE1-NZ 2.94Å; E137-K140 VanDerWaalsContact OE2-CE 3.32Å; E137-K140 WeakPolarHBondContact OE2-CE 3.31Å; E137-K140 IonicContact OE2-NZ 3.43Å; E137-K140 PolarHBondContact OE2-NZ 2.93Å | ||
| 138 | P | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 77 Ų | 77 | 7% | 0.071 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 143.3 | 174.5 | -22.9 | 31.4 | 0 | 0 | 0 | 111.5 | V86 R122 V127 R128 L131 K140 | V86-P138 HydrophobicContact CG1-CB 4.11Å; V86-P138 CarbonylContact O-C 3.56Å; V86-P138 WeakPolarHBondContact O-CA 3.41Å; R122-P138 HydrophobicContact CG-CB 4.34Å; V127-P138 HydrophobicContact CG1-CG 4.35Å; R128-P138 HydrophobicContact CG-CG 3.82Å; L131-P138 HydrophobicContact CD1-CB 4.29Å; L131-P138 HydrophobicContact CD1-CG 3.81Å; P138-K140 PolarHBondContact O-N 2.66Å |
| 139 | V | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 77.1 Ų | 77.1 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 127.8 | -177.8 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | F84 V86 P89 L92 R122 D143 | F84-V139 HydrophobicContact CE2-CB 4.09Å; F84-V139 HydrophobicContact CE2-CG1 3.73Å; F84-V139 HydrophobicContact CE2-CG2 4.19Å; F84-V139 HydrophobicContact CZ-CG1 4.24Å; V86-V139 PolarHBondContact O-N 3.49Å; P89-V139 HydrophobicContact CB-CG2 4.41Å; P89-V139 HydrophobicContact CG-CG2 4.33Å; L92-V139 HydrophobicContact CB-CG2 4.39Å; L92-V139 HydrophobicContact CD2-CG1 3.74Å; L92-V139 HydrophobicContact CD2-CG2 4.45Å; R122-V139 PolarHBondContact NE-O 2.98Å; R122-V139 PolarHBondContact NH2-O 3.49Å; V139-D143 HydrophobicContact CG1-CB 4.23Å |
| 140 | K | 98.6 | Very high | 98.2 | Very high | 81 Ų | 81 | 81.5 Ų | 81.5 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 156.1 | 177.4 | -51.9 | 176.6 | 177.6 | 147.3 | 0 | 110.9 | E137 P138 E142 D143 G144 | E137-K140 VanDerWaalsContact CD-CE 3.41Å; E137-K140 WeakPolarHBondContact OE1-CE 3.46Å; E137-K140 IonicContact OE1-NZ 2.65Å; E137-K140 PolarHBondContact OE1-NZ 2.94Å; E137-K140 VanDerWaalsContact OE2-CE 3.32Å; E137-K140 WeakPolarHBondContact OE2-CE 3.31Å; E137-K140 IonicContact OE2-NZ 3.43Å; E137-K140 PolarHBondContact OE2-NZ 2.93Å; P138-K140 PolarHBondContact O-N 2.66Å; K140-E142 WeakPolarHBondContact CB-OE2 3.45Å; K140-E142 PolarHBondContact O-N 3.32Å; K140-D143 WeakPolarHBondContact CB-OD2 3.2Å; K140-D143 PolarHBondContact O-N 3.06Å; K140-G144 PolarHBondContact O-N 3.27Å |
| 141 | T | 98.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 77.5 Ų | 77.5 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.4 | -32.5 | -179.8 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | R122 R145 Y156 E158 | R122-T141 PolarHBondContact NH1-OG1 3.04Å; R122-T141 VanDerWaalsContact NH1-OG1 3.09Å; T141-R145 VanDerWaalsContact O-CG 3.31Å; T141-R145 WeakPolarHBondContact O-CG 3.43Å; T141-R145 PolarHBondContact O-N 2.79Å; T141-R145 VanDerWaalsContact O-N 3.08Å; T141-Y156 HydrophobicContact CG2-CE1 4.24Å; T141-E158 VanDerWaalsContact CA-OE1 3.24Å; T141-E158 WeakPolarHBondContact CA-OE1 3.49Å; T141-E158 VanDerWaalsContact CB-OE1 3.31Å; T141-E158 WeakPolarHBondContact CB-OE1 3.39Å; T141-E158 WeakPolarHBondContact CG2-OE1 3.42Å; T141-E158 PolarHBondContact OG1-OE1 3.19Å; T141-E158 PolarHBondContact OG1-OE2 3.18Å |
| 142 | E | 98.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 81.9 Ų | 81.9 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.4 | -38.2 | 179.5 | -53.3 | 73.2 | -150.2 | 0 | 0 | 111.5 | K140 R145 A146 | K140-E142 WeakPolarHBondContact CB-OE2 3.45Å; K140-E142 PolarHBondContact O-N 3.32Å; E142-R145 PolarHBondContact O-N 3.14Å; E142-A146 WeakPolarHBondContact O-CB 3.21Å; E142-A146 PolarHBondContact O-N 2.94Å |
| 143 | D | 98.7 | Very high | 98.3 | Very high | 76 Ų | 76 | 79 Ų | 79 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 179.3 | -58.5 | -40 | 0 | 0 | 0 | 111.1 | L92 V139 K140 A146 M147 | L92-D143 HydrophobicContact CD2-CB 4.21Å; V139-D143 HydrophobicContact CG1-CB 4.23Å; K140-D143 WeakPolarHBondContact CB-OD2 3.2Å; K140-D143 PolarHBondContact O-N 3.06Å; D143-A146 PolarHBondContact O-N 3.05Å; D143-M147 WeakPolarHBondContact O-CB 3.31Å; D143-M147 PolarHBondContact O-N 3.46Å |
| 144 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L114 K140 M147 A148 | L114-G144 WeakPolarHBondContact CD2-O 3.46Å; K140-G144 PolarHBondContact O-N 3.27Å; G144-M147 PolarHBondContact O-N 2.86Å; G144-A148 PolarHBondContact O-N 2.98Å |
| 145 | R | 98.8 | Very high | 98.5 | Very high | 160 Ų | 160 | 71.9 Ų | 71.9 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 173.7 | -74.5 | 177.4 | -179.1 | -174.2 | 1.3 | 112.3 | T141 E142 M147 A148 V149 Y156 | T141-R145 VanDerWaalsContact O-CG 3.31Å; T141-R145 WeakPolarHBondContact O-CG 3.43Å; T141-R145 PolarHBondContact O-N 2.79Å; T141-R145 VanDerWaalsContact O-N 3.08Å; E142-R145 PolarHBondContact O-N 3.14Å; R145-M147 VanDerWaalsContact C-N 3.28Å; R145-M147 PolarHBondContact O-N 2.93Å; R145-A148 PolarHBondContact O-N 3.5Å; R145-V149 WeakPolarHBondContact O-CG2 3.48Å; R145-V149 PolarHBondContact O-N 3.26Å; R145-V149 VanDerWaalsContact O-N 3.1Å; R145-Y156 HydrophobicContact CB-CD1 4.37Å; R145-Y156 HydrophobicContact CG-CD1 3.42Å; R145-Y156 VanDerWaalsContact CG-CD1 3.42Å; R145-Y156 HydrophobicContact CG-CE1 3.87Å; R145-Y156 HydrophobicContact CG-CG 4.23Å |
| 146 | A | 98.8 | Very high | 98.5 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 49% | 0.488 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E142 D143 V149 R150 | E142-A146 WeakPolarHBondContact O-CB 3.21Å; E142-A146 PolarHBondContact O-N 2.94Å; D143-A146 PolarHBondContact O-N 3.05Å; A146-V149 PolarHBondContact O-N 3.1Å; A146-R150 WeakPolarHBondContact O-CB 3.28Å; A146-R150 PolarHBondContact O-N 2.98Å |
| 147 | M | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 174.8 | -172.9 | 59.7 | 75.7 | 0 | 0 | 112.1 | L92 I95 P96 L114 D143 G144 R145 V149 R150 I151 | L92-M147 HydrophobicContact CD1-CB 3.83Å; L92-M147 HydrophobicContact CD1-CE 4.25Å; L92-M147 HydrophobicContact CD1-CG 3.74Å; L92-M147 HydrophobicContact CG-CE 4.05Å; I95-M147 HydrophobicContact CB-CG 4.41Å; I95-M147 HydrophobicContact CG2-CG 4.06Å; I95-M147 HydrophobicContact CG2-SD 4.37Å; P96-M147 HydrophobicContact CB-SD 4.42Å; P96-M147 HydrophobicContact CG-CE 3.9Å; P96-M147 HydrophobicContact CG-SD 3.93Å; L114-M147 HydrophobicContact CD2-CB 3.92Å; L114-M147 HydrophobicContact CD2-CG 3.91Å; D143-M147 WeakPolarHBondContact O-CB 3.31Å; D143-M147 PolarHBondContact O-N 3.46Å; G144-M147 PolarHBondContact O-N 2.86Å; R145-M147 VanDerWaalsContact C-N 3.28Å; R145-M147 PolarHBondContact O-N 2.93Å; M147-V149 VanDerWaalsContact C-N 3.3Å; M147-V149 PolarHBondContact O-N 2.96Å; M147-R150 WeakPolarHBondContact O-CB 3.26Å; M147-R150 PolarHBondContact O-N 3.29Å; M147-R150 VanDerWaalsContact O-N 3.1Å; M147-R150 HydrophobicContact SD-CB 4.47Å; M147-I151 HydrophobicContact CG-CG2 4.39Å; M147-I151 WeakPolarHBondContact O-CG1 3.14Å; M147-I151 WeakPolarHBondContact O-CG2 3.44Å; M147-I151 PolarHBondContact O-N 3.36Å; M147-I151 HydrophobicContact SD-CG2 3.92Å |
| 148 | A | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L114 G144 R145 I151 S152 A153 Y156 | L114-A148 HydrophobicContact CB-CB 4.3Å; L114-A148 HydrophobicContact CD2-CB 3.89Å; G144-A148 PolarHBondContact O-N 2.98Å; R145-A148 PolarHBondContact O-N 3.5Å; A148-I151 PolarHBondContact O-N 2.89Å; A148-S152 PolarHBondContact O-N 3.1Å; A148-S152 VanDerWaalsContact O-N 3.09Å; A148-A153 HydrophobicContact CB-CB 4.03Å; A148-A153 PolarHBondContact O-N 3.1Å; A148-Y156 HydrophobicContact CB-CG 4.41Å |
| 149 | V | 98.7 | Very high | 98.6 | Very high | 117 Ų | 117 | 57.8 Ų | 57.8 | 71% | 0.709 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62 | -48 | 173.2 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | R145 A146 M147 I151 S152 | R145-V149 WeakPolarHBondContact O-CG2 3.48Å; R145-V149 PolarHBondContact O-N 3.26Å; R145-V149 VanDerWaalsContact O-N 3.1Å; A146-V149 PolarHBondContact O-N 3.1Å; M147-V149 VanDerWaalsContact C-N 3.3Å; M147-V149 PolarHBondContact O-N 2.96Å; V149-I151 VanDerWaalsContact C-N 3.29Å; V149-I151 PolarHBondContact O-N 3.09Å; V149-S152 PolarHBondContact O-N 3.41Å; V149-S152 VanDerWaalsContact O-N 3.1Å |
| 150 | R | 98.4 | Very high | 98.6 | Very high | 174 Ų | 174 | 57.5 Ų | 57.5 | 66% | 0.657 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -56.1 | -40.9 | -179.7 | 177.4 | 179.9 | 175.2 | -175.8 | -2.9 | 112.6 | A146 M147 | A146-R150 WeakPolarHBondContact O-CB 3.28Å; A146-R150 PolarHBondContact O-N 2.98Å; M147-R150 WeakPolarHBondContact O-CB 3.26Å; M147-R150 PolarHBondContact O-N 3.29Å; M147-R150 VanDerWaalsContact O-N 3.1Å; M147-R150 HydrophobicContact SD-CB 4.47Å |
| 151 | I | 98.2 | Very high | 98.6 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -90.2 | -4.9 | -177.3 | 73.6 | 178.1 | 0 | 0 | 0 | 113.2 | M82 I95 P96 V100 L114 M147 A148 V149 A153 | M82-I151 HydrophobicContact SD-CD1 4.11Å; I95-I151 HydrophobicContact CG2-CD1 3.78Å; I95-I151 HydrophobicContact CG2-CG2 4.16Å; P96-I151 HydrophobicContact CB-CG2 4.49Å; V100-I151 HydrophobicContact CG2-CB 3.8Å; V100-I151 HydrophobicContact CG2-CD1 4.03Å; V100-I151 HydrophobicContact CG2-CG1 4.49Å; V100-I151 HydrophobicContact CG2-CG2 3.72Å; L114-I151 HydrophobicContact CB-CD1 4.46Å; L114-I151 HydrophobicContact CD1-CD1 4.2Å; L114-I151 HydrophobicContact CD2-CD1 4.39Å; M147-I151 HydrophobicContact CG-CG2 4.39Å; M147-I151 WeakPolarHBondContact O-CG1 3.14Å; M147-I151 WeakPolarHBondContact O-CG2 3.44Å; M147-I151 PolarHBondContact O-N 3.36Å; M147-I151 HydrophobicContact SD-CG2 3.92Å; A148-I151 PolarHBondContact O-N 2.89Å; V149-I151 VanDerWaalsContact C-N 3.29Å; V149-I151 PolarHBondContact O-N 3.09Å; I151-A153 VanDerWaalsContact C-N 3.35Å; I151-A153 HydrophobicContact CD1-CB 4.11Å; I151-A153 HydrophobicContact CG1-CB 3.9Å |
| 152 | S | 98 | Very high | 98.5 | Very high | 101 Ų | 101 | 59.3 Ų | 59.3 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 44.6 | -171.8 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | A148 V149 | A148-S152 PolarHBondContact O-N 3.1Å; A148-S152 VanDerWaalsContact O-N 3.09Å; V149-S152 PolarHBondContact O-N 3.41Å; V149-S152 VanDerWaalsContact O-N 3.1Å |
| 153 | A | 98.5 | Very high | 98.5 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | trans | -63.3 | 150.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I112 L114 A148 I151 D155 | I112-A153 CarbonylContact O-C 3.4Å; I112-A153 WeakPolarHBondContact O-CA 3.42Å; L114-A153 HydrophobicContact CB-CB 4.15Å; A148-A153 HydrophobicContact CB-CB 4.03Å; A148-A153 PolarHBondContact O-N 3.1Å; I151-A153 VanDerWaalsContact C-N 3.35Å; I151-A153 HydrophobicContact CD1-CB 4.11Å; I151-A153 HydrophobicContact CG1-CB 3.9Å; A153-D155 VanDerWaalsContact C-N 3.32Å | ||
| 154 | Y | 98.4 | Very high | 98.4 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -63.4 | -40.6 | 174.5 | 176.2 | -82.4 | 0 | 0 | 0 | 111.1 | P111 I112 I113 T173 A177 Q180 | P111-Y154 HydrophobicContact CB-CD2 4.45Å; I112-Y154 WeakPolarHBondContact O-CB 3.36Å; I112-Y154 PolarHBondContact O-N 3.45Å; I113-Y154 HydrophobicContact CD1-CD1 3.48Å; I113-Y154 VanDerWaalsContact CD1-CD1 3.48Å; I113-Y154 HydrophobicContact CD1-CE1 4.42Å; I113-Y154 HydrophobicContact CD1-CG 3.97Å; Y154-T173 HydrophobicContact CD1-CG2 4.26Å; Y154-T173 HydrophobicContact CE1-CG2 4.03Å; Y154-A177 HydrophobicContact CD1-CB 3.86Å; Y154-A177 HydrophobicContact CD2-CB 3.97Å; Y154-A177 HydrophobicContact CE1-CB 3.88Å; Y154-A177 HydrophobicContact CE2-CB 3.97Å; Y154-A177 HydrophobicContact CG-CB 3.93Å; Y154-Q180 PolarHBondContact OH-NE2 2.74Å |
| 155 | D | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 61.5 Ų | 61.5 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 168.6 | 174.2 | -148.7 | -18.2 | 0 | 0 | 0 | 111.3 | L114 A153 T173 | L114-D155 PolarHBondContact N-O 2.87Å; A153-D155 VanDerWaalsContact C-N 3.32Å; D155-T173 HydrophobicContact CB-CG2 3.92Å |
| 156 | Y | 98.9 | Very high | 98.4 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.9 | 172.2 | 173.9 | -109.6 | 0 | 0 | 0 | 111 | F84 L114 A116 T141 R145 A148 E158 | F84-Y156 AromaticContact CE1-CE2 3.89Å; F84-Y156 HydrophobicContact CE1-CE2 3.89Å; F84-Y156 AromaticContact CZ-CE2 3.92Å; F84-Y156 HydrophobicContact CZ-CE2 3.92Å; L114-Y156 HydrophobicContact CB-CD2 4.23Å; L114-Y156 HydrophobicContact CD2-CD2 3.94Å; L114-Y156 HydrophobicContact CD2-CE2 4.4Å; L114-Y156 HydrophobicContact CG-CD2 4.02Å; L114-Y156 WeakPolarHBondContact O-CA 3.5Å; A116-Y156 HydrophobicContact CB-CE2 4.03Å; A116-Y156 WeakPolarHBondContact CB-OH 3.46Å; T141-Y156 HydrophobicContact CG2-CE1 4.24Å; R145-Y156 HydrophobicContact CB-CD1 4.37Å; R145-Y156 HydrophobicContact CG-CD1 3.42Å; R145-Y156 VanDerWaalsContact CG-CD1 3.42Å; R145-Y156 HydrophobicContact CG-CE1 3.87Å; R145-Y156 HydrophobicContact CG-CG 4.23Å; A148-Y156 HydrophobicContact CB-CG 4.41Å; Y156-E158 HydrophobicContact CE1-CG 3.66Å; Y156-E158 WeakPolarHBondContact OH-CG 3.4Å; Y156-E158 PolarHBondContact OH-OE1 2.93Å |
| 157 | L | 98.9 | Very high | 98.4 | Very high | 33 Ų | 33 | 52 Ų | 52 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151.3 | 179.2 | -64.5 | 168.9 | 0 | 0 | 0 | 111.1 | I113 L114 V115 A116 V170 T173 | I113-L157 HydrophobicContact CG2-CD1 4.11Å; L114-L157 PolarHBondContact O-N 3.18Å; V115-L157 CarbonylContact C-O 3.54Å; V115-L157 WeakPolarHBondContact CA-O 3.45Å; A116-L157 PolarHBondContact N-O 3.45Å; L157-V170 HydrophobicContact CB-CG2 3.87Å; L157-V170 HydrophobicContact CD1-CB 4.44Å; L157-V170 HydrophobicContact CD1-CG2 4.14Å; L157-T173 HydrophobicContact CD1-CG2 3.94Å |
| 158 | E | 98.9 | Very high | 98.3 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.8 | 174.5 | -51.2 | -169.7 | 162.1 | 0 | 0 | 109 | A116 R119 R122 T141 Y156 | A116-E158 HydrophobicContact CB-CB 4.28Å; A116-E158 HydrophobicContact CB-CG 3.95Å; A116-E158 WeakPolarHBondContact O-CA 3.23Å; R119-E158 HydrophobicContact CB-CB 4.48Å; R119-E158 HydrophobicContact CG-CB 4.32Å; R119-E158 IonicContact NE-OE2 2.88Å; R122-E158 IonicContact CZ-OE1 3.71Å; R122-E158 IonicContact CZ-OE2 2.72Å; R122-E158 VanDerWaalsContact CZ-OE2 3.24Å; R122-E158 IonicContact NH1-OE1 3.83Å; R122-E158 IonicContact NH1-OE2 3.66Å; R122-E158 PolarHBondContact NH1-OE2 2.92Å; R122-E158 IonicContact NH2-OE1 2.85Å; R122-E158 PolarHBondContact NH2-OE1 2.7Å; R122-E158 IonicContact NH2-OE2 3.22Å; R122-E158 PolarHBondContact NH2-OE2 3.3Å; T141-E158 VanDerWaalsContact CA-OE1 3.24Å; T141-E158 WeakPolarHBondContact CA-OE1 3.49Å; T141-E158 VanDerWaalsContact CB-OE1 3.31Å; T141-E158 WeakPolarHBondContact CB-OE1 3.39Å; T141-E158 WeakPolarHBondContact CG2-OE1 3.42Å; T141-E158 PolarHBondContact OG1-OE1 3.19Å; T141-E158 PolarHBondContact OG1-OE2 3.18Å; Y156-E158 HydrophobicContact CE1-CG 3.66Å; Y156-E158 WeakPolarHBondContact OH-CG 3.4Å; Y156-E158 PolarHBondContact OH-OE1 2.93Å |
| 159 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -146.8 | 165 | 178 | 69.5 | 0 | 0 | 0 | 0 | 112 | A116 N117 K118 R119 D165 I167 V170 | A116-C159 PolarHBondContact O-N 3.31Å; N117-C159 CarbonylContact C-O 3.44Å; N117-C159 PolarHBondContact OD1-SG 2.56Å; N117-C159 VanDerWaalsContact OD1-SG 3.34Å; K118-C159 PolarHBondContact N-O 2.76Å; K118-C159 VanDerWaalsContact N-O 3.1Å; R119-C159 WeakPolarHBondContact CB-O 3.41Å; R119-C159 PolarHBondContact N-O 2.94Å; C159-D165 CarbonylContact C-O 3.57Å; C159-D165 WeakPolarHBondContact CA-O 3.32Å; C159-D165 VanDerWaalsContact CB-O 3.28Å; C159-D165 WeakPolarHBondContact CB-O 3.47Å; C159-I167 HydrophobicContact CB-CD1 4.01Å; C159-V170 HydrophobicContact CB-CG2 4.18Å | ||
| 160 | S | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -130.2 | 112.9 | 166.2 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | D120 K162 T163 K164 D165 | D120-S160 VanDerWaalsContact CG-OG 3.25Å; D120-S160 WeakPolarHBondContact OD1-CB 3.17Å; D120-S160 PolarHBondContact OD1-OG 3.08Å; S160-K162 PolarHBondContact O-N 3.46Å; S160-K162 PolarHBondContact OG-N 2.97Å; S160-T163 VanDerWaalsContact CB-OG1 3.26Å; S160-T163 WeakPolarHBondContact CB-OG1 3.33Å; S160-T163 PolarHBondContact O-N 2.93Å; S160-T163 PolarHBondContact OG-N 3.4Å; S160-T163 PolarHBondContact OG-OG1 2.69Å; S160-K164 CarbonylContact O-C 3.42Å; S160-K164 VanDerWaalsContact O-CA 3.23Å; S160-K164 WeakPolarHBondContact O-CA 3.5Å; S160-K164 PolarHBondContact O-N 3.42Å; S160-D165 PolarHBondContact N-O 3.21Å; S160-D165 PolarHBondContact O-N 3.33Å |
| 161 | A | 98.1 | Very high | 98.3 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C20 V24 F30 K164 I167 | C20-A161 HydrophobicContact CB-CB 3.79Å; V24-A161 HydrophobicContact CB-CB 4.41Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; F30-A161 HydrophobicContact CD2-CB 4.03Å; F30-A161 WeakPolarHBondContact CD2-O 3.17Å; F30-A161 HydrophobicContact CE2-CB 3.93Å; A161-K164 PolarHBondContact O-N 2.82Å; A161-I167 HydrophobicContact CB-CD1 4.16Å |
| 162 | K | 97 | Very high | 98.3 | Very high | 139 Ų | 139 | 48.3 Ų | 48.3 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -41.2 | -178.1 | -171.7 | 179.3 | -178.3 | -177.5 | 0 | 112.6 | F30 S160 | F30-K162 HydrophobicContact CD2-CB 4.33Å; F30-K162 HydrophobicContact CE2-CB 4Å; F30-K162 HydrophobicContact CZ-CB 4.32Å; S160-K162 PolarHBondContact O-N 3.46Å; S160-K162 PolarHBondContact OG-N 2.97Å |
| 163 | T | 97.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 44.3 Ų | 44.3 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -1.8 | 178.5 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | D120 S160 D165 | D120-T163 HydrophobicContact CB-CG2 4.11Å; S160-T163 VanDerWaalsContact CB-OG1 3.26Å; S160-T163 WeakPolarHBondContact CB-OG1 3.33Å; S160-T163 PolarHBondContact O-N 2.93Å; S160-T163 PolarHBondContact OG-N 3.4Å; S160-T163 PolarHBondContact OG-OG1 2.69Å; T163-D165 PolarHBondContact O-N 3.18Å; T163-D165 VanDerWaalsContact OG1-CB 3.31Å; T163-D165 WeakPolarHBondContact OG1-CB 3.24Å; T163-D165 PolarHBondContact OG1-N 3.48Å |
| 164 | K | 97.9 | Very high | 98.3 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 40% | 0.404 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 6.9 | -171.3 | -51.8 | -176.9 | 175.8 | -173.1 | 0 | 114.7 | V24 D28 S160 A161 | V24-K164 HydrophobicContact CG1-CG 3.97Å; D28-K164 WeakPolarHBondContact O-CE 3.31Å; D28-K164 PolarHBondContact O-NZ 3.1Å; D28-K164 WeakPolarHBondContact OD1-CE 3.31Å; D28-K164 IonicContact OD1-NZ 2.9Å; D28-K164 PolarHBondContact OD1-NZ 3.43Å; D28-K164 IonicContact OD2-NZ 2.86Å; D28-K164 PolarHBondContact OD2-NZ 2.97Å; S160-K164 CarbonylContact O-C 3.42Å; S160-K164 VanDerWaalsContact O-CA 3.23Å; S160-K164 WeakPolarHBondContact O-CA 3.5Å; S160-K164 PolarHBondContact O-N 3.42Å; A161-K164 PolarHBondContact O-N 2.82Å |
| 165 | D | 98.4 | Very high | 98.3 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | B | Isolated β-bridge | trans | -67.3 | 132.2 | 179 | 179.6 | 55 | 0 | 0 | 0 | 111.3 | R119 C159 S160 T163 I167 | R119-D165 WeakPolarHBondContact CD-OD2 3.2Å; R119-D165 IonicContact CZ-OD2 2.86Å; R119-D165 IonicContact NE-OD2 3.24Å; R119-D165 IonicContact NH1-OD1 3.64Å; R119-D165 IonicContact NH1-OD2 2.86Å; R119-D165 PolarHBondContact NH1-OD2 3.2Å; C159-D165 CarbonylContact C-O 3.57Å; C159-D165 WeakPolarHBondContact CA-O 3.32Å; C159-D165 VanDerWaalsContact CB-O 3.28Å; C159-D165 WeakPolarHBondContact CB-O 3.47Å; S160-D165 PolarHBondContact N-O 3.21Å; S160-D165 PolarHBondContact O-N 3.33Å; T163-D165 PolarHBondContact O-N 3.18Å; T163-D165 VanDerWaalsContact OG1-CB 3.31Å; T163-D165 WeakPolarHBondContact OG1-CB 3.24Å; T163-D165 PolarHBondContact OG1-N 3.48Å; D165-I167 PolarHBondContact O-N 3.27Å; D165-I167 VanDerWaalsContact O-N 3.15Å |
| 166 | G | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 40 Ų | 40 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E169 V170 | G166-E169 WeakPolarHBondContact CA-OE2 3.44Å; G166-V170 WeakPolarHBondContact O-CG2 3.33Å; G166-V170 PolarHBondContact O-N 2.94Å |
| 167 | I | 98.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -49.1 | -175.9 | -62.2 | -66.5 | 0 | 0 | 0 | 110.2 | L21 V24 F25 C159 A161 D165 E169 V170 F171 | L21-I167 HydrophobicContact CD1-CD1 3.41Å; L21-I167 VanDerWaalsContact CD1-CD1 3.41Å; L21-I167 HydrophobicContact CD1-CG2 4.49Å; V24-I167 HydrophobicContact CG1-CG1 4.21Å; V24-I167 HydrophobicContact CG1-CG2 4.41Å; F25-I167 HydrophobicContact CB-CG2 3.89Å; F25-I167 HydrophobicContact CD2-CG2 4.43Å; C159-I167 HydrophobicContact CB-CD1 4.01Å; A161-I167 HydrophobicContact CB-CD1 4.16Å; D165-I167 PolarHBondContact O-N 3.27Å; D165-I167 VanDerWaalsContact O-N 3.15Å; I167-E169 VanDerWaalsContact C-N 3.31Å; I167-E169 PolarHBondContact O-N 3.28Å; I167-V170 PolarHBondContact O-N 3.26Å; I167-F171 HydrophobicContact CG2-CD2 4.23Å; I167-F171 HydrophobicContact CG2-CE2 4.1Å; I167-F171 VanDerWaalsContact O-CD2 3.24Å; I167-F171 WeakPolarHBondContact O-CD2 3.24Å; I167-F171 PolarHBondContact O-N 3.22Å |
| 168 | R | 97.2 | Very high | 98.1 | Very high | 108 Ų | 108 | 37.8 Ų | 37.8 | 41% | 0.408 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.3 | -41.4 | -176.4 | -178.9 | 64.2 | -163.8 | -155.3 | 2.4 | 111.7 | I46 E47 V170 F171 D172 | I46-R168 VanDerWaalsContact CG1-CZ 3.47Å; E47-R168 PolarHBondContact O-NH2 2.87Å; R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 2.9Å; R168-F171 PolarHBondContact O-N 3.21Å; R168-D172 IonicContact CZ-OD1 3.71Å; R168-D172 VanDerWaalsContact CZ-OD1 3.22Å; R168-D172 IonicContact NE-OD1 3.6Å; R168-D172 PolarHBondContact NE-OD1 2.72Å; R168-D172 IonicContact NE-OD2 2.93Å; R168-D172 PolarHBondContact NE-OD2 2.74Å; R168-D172 IonicContact NH2-OD1 3.61Å; R168-D172 PolarHBondContact NH2-OD1 2.66Å; R168-D172 IonicContact NH2-OD2 3.73Å; R168-D172 WeakPolarHBondContact O-CB 3.35Å; R168-D172 PolarHBondContact O-N 3.44Å |
| 169 | E | 98.5 | Very high | 97.9 | Very high | 103 Ų | 103 | 38.5 Ų | 38.5 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.4 | -37.7 | -179.3 | -66 | 80.4 | 176.8 | 0 | 0 | 112.2 | G166 I167 T173 | G166-E169 WeakPolarHBondContact CA-OE2 3.44Å; I167-E169 VanDerWaalsContact C-N 3.31Å; I167-E169 PolarHBondContact O-N 3.28Å; E169-T173 VanDerWaalsContact O-CB 3.26Å; E169-T173 WeakPolarHBondContact O-CB 3.49Å; E169-T173 PolarHBondContact O-N 3.4Å; E169-T173 PolarHBondContact O-OG1 3.43Å |
| 170 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.5 | -51.3 | 173.9 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L81 V115 L157 C159 G166 I167 R168 T173 A174 | L81-V170 HydrophobicContact CD1-CG1 3.78Å; L81-V170 HydrophobicContact CD2-CG1 3.97Å; V115-V170 HydrophobicContact CG1-CG1 4.49Å; V115-V170 HydrophobicContact CG1-CG2 4.02Å; V115-V170 HydrophobicContact CG2-CG1 3.99Å; V115-V170 HydrophobicContact CG2-CG2 4.45Å; L157-V170 HydrophobicContact CB-CG2 3.87Å; L157-V170 HydrophobicContact CD1-CB 4.44Å; L157-V170 HydrophobicContact CD1-CG2 4.14Å; C159-V170 HydrophobicContact CB-CG2 4.18Å; G166-V170 WeakPolarHBondContact O-CG2 3.33Å; G166-V170 PolarHBondContact O-N 2.94Å; I167-V170 PolarHBondContact O-N 3.26Å; R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 2.9Å; V170-T173 PolarHBondContact O-N 2.92Å; V170-A174 VanDerWaalsContact O-CB 3.32Å; V170-A174 WeakPolarHBondContact O-CB 3.33Å; V170-A174 PolarHBondContact O-N 3.05Å |
| 171 | F | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.4 | -32.9 | -176.2 | -68.5 | -84.9 | 0 | 0 | 0 | 113.1 | L8 L21 L22 F25 I46 L55 L57 L81 I167 R168 T175 | L8-F171 HydrophobicContact CD1-CD1 4.04Å; L8-F171 HydrophobicContact CD1-CE1 4.18Å; L21-F171 HydrophobicContact CD1-CE2 3.66Å; L21-F171 HydrophobicContact CD1-CZ 4.15Å; L21-F171 HydrophobicContact CG-CE2 4.07Å; L21-F171 HydrophobicContact CG-CZ 4.03Å; L22-F171 HydrophobicContact CD2-CE1 3.98Å; L22-F171 HydrophobicContact CD2-CZ 3.93Å; F25-F171 HydrophobicContact CB-CD2 3.7Å; F25-F171 HydrophobicContact CB-CE1 4.36Å; F25-F171 HydrophobicContact CB-CE2 3.26Å; F25-F171 HydrophobicContact CB-CG 4.44Å; F25-F171 HydrophobicContact CB-CZ 3.63Å; F25-F171 AromaticContact CD1-CD1 3.54Å; F25-F171 HydrophobicContact CD1-CD1 3.54Å; F25-F171 AromaticContact CD1-CD2 3.83Å; F25-F171 HydrophobicContact CD1-CD2 3.83Å; F25-F171 AromaticContact CD1-CE1 3.51Å; F25-F171 HydrophobicContact CD1-CE1 3.51Å; F25-F171 AromaticContact CD1-CE2 3.85Å; F25-F171 HydrophobicContact CD1-CE2 3.85Å; F25-F171 AromaticContact CD1-CG 3.7Å; F25-F171 HydrophobicContact CD1-CG 3.7Å; F25-F171 AromaticContact CD1-CZ 3.68Å; F25-F171 HydrophobicContact CD1-CZ 3.68Å; F25-F171 HydrophobicContact CD2-CB 3.93Å; F25-F171 HydrophobicContact CD2-CD1 4.29Å; F25-F171 AromaticContact CD2-CD2 3.3Å; F25-F171 HydrophobicContact CD2-CD2 3.3Å; F25-F171 AromaticContact CD2-CE2 3.86Å; F25-F171 HydrophobicContact CD2-CE2 3.86Å; F25-F171 AromaticContact CD2-CG 3.57Å; F25-F171 HydrophobicContact CD2-CG 3.57Å; F25-F171 HydrophobicContact CE1-CB 4.17Å; F25-F171 AromaticContact CE1-CD1 3.52Å; F25-F171 HydrophobicContact CE1-CD1 3.52Å; F25-F171 HydrophobicContact CE1-CD2 4.29Å; F25-F171 AromaticContact CE1-CE1 3.93Å; F25-F171 HydrophobicContact CE1-CE1 3.93Å; F25-F171 AromaticContact CE1-CG 3.73Å; F25-F171 HydrophobicContact CE1-CG 3.73Å; F25-F171 HydrophobicContact CE1-CZ 4.49Å; F25-F171 HydrophobicContact CE2-CB 3.51Å; F25-F171 HydrophobicContact CE2-CD1 4.29Å; F25-F171 AromaticContact CE2-CD2 3.84Å; F25-F171 HydrophobicContact CE2-CD2 3.84Å; F25-F171 AromaticContact CE2-CG 3.61Å; F25-F171 HydrophobicContact CE2-CG 3.61Å; F25-F171 HydrophobicContact CG-CB 4.44Å; F25-F171 AromaticContact CG-CD1 3.94Å; F25-F171 HydrophobicContact CG-CD1 3.94Å; F25-F171 AromaticContact CG-CD2 3.31Å; F25-F171 HydrophobicContact CG-CD2 3.31Å; F25-F171 AromaticContact CG-CE1 3.96Å; F25-F171 HydrophobicContact CG-CE1 3.96Å; F25-F171 AromaticContact CG-CE2 3.37Å; F25-F171 HydrophobicContact CG-CE2 3.37Å; F25-F171 AromaticContact CG-CG 3.63Å; F25-F171 HydrophobicContact CG-CG 3.63Å; F25-F171 AromaticContact CG-CZ 3.69Å; F25-F171 HydrophobicContact CG-CZ 3.69Å; F25-F171 HydrophobicContact CZ-CB 3.65Å; F25-F171 AromaticContact CZ-CD1 3.93Å; F25-F171 HydrophobicContact CZ-CD1 3.93Å; F25-F171 HydrophobicContact CZ-CD2 4.31Å; F25-F171 AromaticContact CZ-CG 3.7Å; F25-F171 HydrophobicContact CZ-CG 3.7Å; I46-F171 HydrophobicContact CD1-CB 3.87Å; L55-F171 HydrophobicContact CD1-CD1 4.13Å; L57-F171 HydrophobicContact CD2-CD1 4.36Å; L57-F171 HydrophobicContact CD2-CE1 3.95Å; L81-F171 HydrophobicContact CD1-CE1 4.12Å; L81-F171 HydrophobicContact CD1-CZ 4.28Å; I167-F171 HydrophobicContact CG2-CD2 4.23Å; I167-F171 HydrophobicContact CG2-CE2 4.1Å; I167-F171 VanDerWaalsContact O-CD2 3.24Å; I167-F171 WeakPolarHBondContact O-CD2 3.24Å; I167-F171 PolarHBondContact O-N 3.22Å; R168-F171 PolarHBondContact O-N 3.21Å; F171-T175 VanDerWaalsContact O-CB 3.22Å; F171-T175 WeakPolarHBondContact O-CB 3.49Å; F171-T175 PolarHBondContact O-N 2.86Å; F171-T175 PolarHBondContact O-OG1 2.86Å |
| 172 | D | 98.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 20% | 0.198 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 172.3 | -77.2 | -16.1 | 0 | 0 | 0 | 110.8 | I46 V48 R168 T175 R176 | I46-D172 VanDerWaalsContact CD1-OD1 3.28Å; I46-D172 WeakPolarHBondContact CD1-OD1 3.48Å; V48-D172 HydrophobicContact CG2-CB 4.41Å; V48-D172 WeakPolarHBondContact CG2-OD1 3.32Å; R168-D172 IonicContact CZ-OD1 3.71Å; R168-D172 VanDerWaalsContact CZ-OD1 3.22Å; R168-D172 IonicContact NE-OD1 3.6Å; R168-D172 PolarHBondContact NE-OD1 2.72Å; R168-D172 IonicContact NE-OD2 2.93Å; R168-D172 PolarHBondContact NE-OD2 2.74Å; R168-D172 IonicContact NH2-OD1 3.61Å; R168-D172 PolarHBondContact NH2-OD1 2.66Å; R168-D172 IonicContact NH2-OD2 3.73Å; R168-D172 WeakPolarHBondContact O-CB 3.35Å; R168-D172 PolarHBondContact O-N 3.44Å; D172-T175 PolarHBondContact O-N 3.28Å; D172-R176 WeakPolarHBondContact O-CB 3.49Å; D172-R176 PolarHBondContact O-N 3.28Å |
| 173 | T | 98.6 | Very high | 92 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 178.9 | -59.5 | 0 | 0 | 0 | 0 | 112 | I113 Y154 D155 L157 E169 V170 T175 R176 A177 | I113-T173 HydrophobicContact CD1-CG2 4.15Å; Y154-T173 HydrophobicContact CD1-CG2 4.26Å; Y154-T173 HydrophobicContact CE1-CG2 4.03Å; D155-T173 HydrophobicContact CB-CG2 3.92Å; L157-T173 HydrophobicContact CD1-CG2 3.94Å; E169-T173 VanDerWaalsContact O-CB 3.26Å; E169-T173 WeakPolarHBondContact O-CB 3.49Å; E169-T173 PolarHBondContact O-N 3.4Å; E169-T173 PolarHBondContact O-OG1 3.43Å; V170-T173 PolarHBondContact O-N 2.92Å; T173-T175 VanDerWaalsContact C-N 3.34Å; T173-T175 PolarHBondContact O-N 3.23Å; T173-R176 PolarHBondContact O-N 3.29Å; T173-A177 PolarHBondContact O-N 3.31Å |
| 174 | A | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L8 V79 L81 I113 V170 A177 A178 | L8-A174 HydrophobicContact CD1-CB 3.84Å; V79-A174 HydrophobicContact CG1-CB 4.31Å; V79-A174 HydrophobicContact CG2-CB 4.1Å; L81-A174 HydrophobicContact CD2-CB 3.79Å; I113-A174 HydrophobicContact CG1-CB 3.99Å; V170-A174 VanDerWaalsContact O-CB 3.32Å; V170-A174 WeakPolarHBondContact O-CB 3.33Å; V170-A174 PolarHBondContact O-N 3.05Å; A174-A177 PolarHBondContact O-N 2.95Å; A174-A178 WeakPolarHBondContact O-CB 3.12Å; A174-A178 PolarHBondContact O-N 3.43Å |
| 175 | T | 97.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 111 | I46 V48 V53 F171 D172 T173 A177 A178 L179 | I46-T175 HydrophobicContact CG2-CG2 4.08Å; V48-T175 HydrophobicContact CB-CG2 3.94Å; V48-T175 HydrophobicContact CG1-CG2 4.5Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V53-T175 HydrophobicContact CB-CG2 4.01Å; V53-T175 HydrophobicContact CG1-CG2 4.09Å; V53-T175 HydrophobicContact CG2-CG2 3.84Å; F171-T175 VanDerWaalsContact O-CB 3.22Å; F171-T175 WeakPolarHBondContact O-CB 3.49Å; F171-T175 PolarHBondContact O-N 2.86Å; F171-T175 PolarHBondContact O-OG1 2.86Å; D172-T175 PolarHBondContact O-N 3.28Å; T173-T175 VanDerWaalsContact C-N 3.34Å; T173-T175 PolarHBondContact O-N 3.23Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 2.88Å; T175-A178 PolarHBondContact O-N 2.95Å; T175-L179 HydrophobicContact CG2-CD1 4.03Å; T175-L179 HydrophobicContact CG2-CG 4.39Å; T175-L179 WeakPolarHBondContact O-CB 3.16Å; T175-L179 VanDerWaalsContact O-CG 3.26Å; T175-L179 WeakPolarHBondContact O-CG 3.42Å; T175-L179 PolarHBondContact O-N 3.45Å |
| 176 | R | 97.7 | Very high | 83.9 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.8 | -170.7 | 175 | -65 | 107 | 0.4 | 111.6 | V48 D49 D172 T173 L179 Q180 | V48-R176 HydrophobicContact CG1-CB 4.39Å; D49-R176 IonicContact OD1-CZ 2.97Å; D49-R176 IonicContact OD1-NE 3.54Å; D49-R176 IonicContact OD1-NH2 2.7Å; D49-R176 PolarHBondContact OD1-NH2 3.39Å; D49-R176 IonicContact OD2-CZ 2.69Å; D49-R176 IonicContact OD2-NE 3.89Å; D49-R176 PolarHBondContact OD2-NE 3.06Å; D49-R176 IonicContact OD2-NH2 3.04Å; D172-R176 WeakPolarHBondContact O-CB 3.49Å; D172-R176 PolarHBondContact O-N 3.28Å; T173-R176 PolarHBondContact O-N 3.29Å; R176-L179 PolarHBondContact O-N 3.45Å; R176-Q180 PolarHBondContact O-N 3.08Å |
| 177 | A | 97.6 | Very high | 81.2 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.033 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V79 P111 I113 Y154 T173 A174 T175 L179 Q180 | V79-A177 HydrophobicContact CG2-CB 4.35Å; P111-A177 HydrophobicContact CB-CB 4.08Å; P111-A177 HydrophobicContact CG-CB 4.04Å; I113-A177 HydrophobicContact CD1-CB 4.06Å; Y154-A177 HydrophobicContact CD1-CB 3.86Å; Y154-A177 HydrophobicContact CD2-CB 3.97Å; Y154-A177 HydrophobicContact CE1-CB 3.88Å; Y154-A177 HydrophobicContact CE2-CB 3.97Å; Y154-A177 HydrophobicContact CG-CB 3.93Å; T173-A177 PolarHBondContact O-N 3.31Å; A174-A177 PolarHBondContact O-N 2.95Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 2.88Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3.2Å; A177-Q180 PolarHBondContact O-N 3.32Å |
| 178 | A | 96.8 | Very high | 78.5 | Confident | 4 Ų | 4 | 75.3 Ų | 75.3 | 3% | 0.033 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.4 | -28.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K6 D78 V79 A174 T175 | K6-A178 HydrophobicContact CB-CB 4.34Å; K6-A178 HydrophobicContact CD-CB 4.04Å; K6-A178 WeakPolarHBondContact CE-O 3.31Å; K6-A178 HydrophobicContact CG-CB 4.14Å; K6-A178 PolarHBondContact NZ-O 2.86Å; D78-A178 HydrophobicContact CB-CB 4.02Å; V79-A178 HydrophobicContact CB-CB 3.99Å; V79-A178 HydrophobicContact CG1-CB 3.89Å; A174-A178 WeakPolarHBondContact O-CB 3.12Å; A174-A178 PolarHBondContact O-N 3.43Å; T175-A178 PolarHBondContact O-N 2.95Å |
| 179 | L | 95.1 | Very high | 75.7 | Confident | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.188 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -81.2 | -16.2 | 178.4 | -73.8 | 172.8 | 0 | 0 | 0 | 113.6 | I4 K51 V53 T175 R176 A177 K181 | I4-L179 HydrophobicContact CD1-CD2 4.21Å; I4-L179 HydrophobicContact CG2-CD2 3.8Å; K51-L179 HydrophobicContact CD-CD1 4.07Å; V53-L179 HydrophobicContact CG2-CD1 4.1Å; V53-L179 HydrophobicContact CG2-CD2 4.14Å; V53-L179 HydrophobicContact CG2-CG 4.47Å; T175-L179 HydrophobicContact CG2-CD1 4.03Å; T175-L179 HydrophobicContact CG2-CG 4.39Å; T175-L179 WeakPolarHBondContact O-CB 3.16Å; T175-L179 VanDerWaalsContact O-CG 3.26Å; T175-L179 WeakPolarHBondContact O-CG 3.42Å; T175-L179 PolarHBondContact O-N 3.45Å; R176-L179 PolarHBondContact O-N 3.45Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3.2Å; L179-K181 PolarHBondContact O-N 3.44Å |
| 180 | Q | 89.3 | Confident | 73.1 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 51% | 0.514 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -66 | 133.8 | 175.7 | -68.2 | -175.1 | 5.9 | 0 | 0 | 110 | Y154 R176 A177 R182 | Y154-Q180 PolarHBondContact OH-NE2 2.74Å; R176-Q180 PolarHBondContact O-N 3.08Å; A177-Q180 PolarHBondContact O-N 3.32Å; Q180-R182 PolarHBondContact O-N 2.97Å |
| 181 | K | 67.9 | Low | 70.4 | Confident | 207 Ų | 207 | 85 Ų | 85 | 90% | 0.9 | 47% | 0.468 | S | S | * | . | trans | -62.9 | 122.6 | 178.4 | -72.7 | -177.3 | 178.9 | 178 | 0 | 108.5 | L179 S183 | L179-K181 PolarHBondContact O-N 3.44Å; K181-S183 PolarHBondContact O-N 3.02Å | ||
| 182 | R | 62.8 | Low | 67.5 | Low | 134 Ų | 134 | 89.8 Ų | 89.8 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | trans | -55.4 | 114.6 | 164.9 | -68.1 | -176 | -178.9 | 178.3 | 1.9 | 107.7 | T77 Q180 K184 | T77-R182 PolarHBondContact O-NH2 2.82Å; Q180-R182 PolarHBondContact O-N 2.97Å; R182-K184 PolarHBondContact O-N 2.86Å | ||
| 183 | S | 49 | Very low | 64.9 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 80% | 0.804 | 53% | 0.525 | S | S | * | . | trans | -62.3 | 109 | 163.3 | 46.9 | 0 | 0 | 0 | 0 | 106 | K181 | K181-S183 PolarHBondContact O-N 3.02Š| ||
| 184 | K | 42.3 | Very low | 62.1 | Low | 188 Ų | 188 | 99.4 Ų | 99.4 | 82% | 0.817 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -60 | 130.8 | 165.9 | -72.7 | -174.1 | 177.3 | -177.5 | 0 | 106.1 | R182 S186 | R182-K184 PolarHBondContact O-N 2.86Å; K184-S186 PolarHBondContact O-N 3Å |
| 185 | P | 41 | Very low | 59.3 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 68% | 0.682 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 118.9 | 162.2 | 23.6 | -28.8 | 0 | 0 | 0 | 106.3 | N187 | P185-N187 PolarHBondContact O-N 3.29Å; P185-N187 VanDerWaalsContact O-N 3.16Å |
| 186 | S | 39.1 | Very low | 56.5 | Low | 111 Ų | 111 | 118.8 Ų | 118.8 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 118.7 | 169.6 | 51 | 0 | 0 | 0 | 0 | 106.9 | K184 G188 | K184-S186 PolarHBondContact O-N 3Å; S186-G188 PolarHBondContact O-N 3.32Å |
| 187 | N | 42.2 | Very low | 54.5 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | trans | -60.9 | 88.1 | 163.9 | -81.4 | -11.9 | 0 | 0 | 0 | 107.6 | P185 C189 | P185-N187 PolarHBondContact O-N 3.29Å; P185-N187 VanDerWaalsContact O-N 3.16Å; N187-C189 PolarHBondContact O-N 2.98Å; N187-C189 VanDerWaalsContact O-N 3.16Å | ||
| 188 | G | 40.9 | Very low | 52.2 | Low | 60 Ų | 60 | 126.6 Ų | 126.6 | 62% | 0.619 | 71% | 0.709 | S | S | * | * | trans | -68.8 | 105.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | S186 V190 | S186-G188 PolarHBondContact O-N 3.32Å; G188-V190 PolarHBondContact O-N 3.28Å; G188-V190 VanDerWaalsContact O-N 3.08Å | ||
| 189 | C | 38.7 | Very low | 49.7 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | -50 | 113.4 | 169 | -72.7 | 0 | 0 | 0 | 0 | 109.9 | N187 N191 | N187-C189 PolarHBondContact O-N 2.98Å; N187-C189 VanDerWaalsContact O-N 3.16Å; C189-N191 PolarHBondContact O-N 3.43Å; C189-N191 VanDerWaalsContact O-N 3.09Å | ||
| 190 | V | 44.7 | Very low | 47.1 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -81.7 | 78.8 | 163.3 | -138 | 0 | 0 | 0 | 0 | 106.8 | G188 C192 | G188-V190 PolarHBondContact O-N 3.28Å; G188-V190 VanDerWaalsContact O-N 3.08Å; V190-C192 VanDerWaalsContact C-N 3.29Å; V190-C192 PolarHBondContact O-N 3.09Å | ||
| 191 | N | 41.7 | Very low | 44.4 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -86.4 | 82.4 | 162 | -127.8 | 15.9 | 0 | 0 | 0 | 106.7 | C189 C193 | C189-N191 PolarHBondContact O-N 3.43Å; C189-N191 VanDerWaalsContact O-N 3.09Å; N191-C193 PolarHBondContact O-N 2.77Å | ||
| 192 | C | 38.7 | Very low | 42.9 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | -85.4 | 90.5 | 170.7 | -158 | 0 | 0 | 0 | 0 | 108 | V190 L194 | V190-C192 VanDerWaalsContact C-N 3.29Å; V190-C192 PolarHBondContact O-N 3.09Å; C192-L194 PolarHBondContact O-N 2.65Å | ||
| 193 | C | 42.5 | Very low | 41.4 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 72% | 0.723 | 81% | 0.81 | S | S | * | * | trans | -70.9 | 109.4 | 155.6 | -84 | 0 | 0 | 0 | 0 | 108.4 | N191 | N191-C193 PolarHBondContact O-N 2.77Š| ||
| 194 | L | 40.4 | Very low | 40.9 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | -112.2 | 102.1 | 141.7 | -90.5 | 92.5 | 0 | 0 | 0 | 104.8 | C192 | C192-L194 PolarHBondContact O-N 2.65Š| ||
| 195 | L | 39.8 | Very low | 40.7 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | 48.5 | 110.8 | 85.8 | -75.7 | 165.8 | 0 | 0 | 0 | 112.7 | |||||
| 196 | L | 39.3 | Very low | 40.7 | Very low | 249 Ų | 249 | 136.9 Ų | 136.9 | 100% | 1.304 | 82% | 0.821 | S | S | * | * | trans | -47.7 | 0 | 163 | -69.6 | 159.6 | 0 | 0 | 0 | 112.4 |
Retrieved 196 of 196 residues in 150.4 ms
(Link to these results)