| 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 | 73.6 | Confident | 95.3 | Very high | 84 Ų | 84 | 58.3 Ų | 58.3 | 41% | 0.414 | 27% | 0.271 | S | S | . | . | 0 | 152.5 | 0 | -78.4 | 173.1 | -110.8 | 0 | 0 | 109.4 | A27 K28 S83 V84 E125 | M1-A27 HydrophobicContact SD-CB 3.79Å; M1-K28 HydrophobicContact CE-CD 4.37Å; M1-K28 HydrophobicContact CE-CG 4.16Å; M1-S83 PolarHBondContact N-OG 3.23Å; M1-S83 WeakPolarHBondContact O-CA 3.36Å; M1-V84 PolarHBondContact O-N 3.02Å; M1-E125 WeakPolarHBondContact CB-OE2 3.46Å; M1-E125 VanDerWaalsContact CE-CD 3.47Å; M1-E125 VanDerWaalsContact CE-OE1 3.31Å; M1-E125 WeakPolarHBondContact CE-OE1 3.03Å; M1-E125 WeakPolarHBondContact CE-OE2 3.31Å; M1-E125 VanDerWaalsContact CG-OE1 3.27Å; M1-E125 WeakPolarHBondContact CG-OE1 3.35Å; M1-E125 PolarHBondContact N-OE1 3.39Å | |||
| 2 | S | 85.6 | Confident | 95.6 | Very high | 64 Ų | 64 | 60.2 Ų | 60.2 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -75.3 | 155.9 | -179.6 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 3 | I | 98.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | trans | -71.1 | 129.7 | 174.3 | -59.2 | 164.9 | 0 | 0 | 0 | 109.3 | I6 L24 L77 I78 V84 L90 | I3-I6 HydrophobicContact CD1-CD1 4.44Å; I3-I6 HydrophobicContact CG2-CD1 3.88Å; I3-I6 HydrophobicContact CG2-CG1 3.75Å; I3-L24 HydrophobicContact CD1-CD1 4.15Å; I3-L24 HydrophobicContact CG1-CD1 4.2Å; I3-L24 HydrophobicContact CG1-CD2 4.35Å; I3-L24 HydrophobicContact CG2-CD1 4.28Å; I3-L24 HydrophobicContact CG2-CD2 4.29Å; I3-L24 HydrophobicContact CG2-CG 4.03Å; I3-L77 HydrophobicContact CD1-CB 3.93Å; I3-L77 HydrophobicContact CD1-CD1 4.4Å; I3-I78 HydrophobicContact CB-CG1 4.35Å; I3-I78 HydrophobicContact CG2-CG1 3.87Å; I3-V84 HydrophobicContact CD1-CG1 4.27Å; I3-V84 HydrophobicContact CG1-CG1 3.56Å; I3-L90 HydrophobicContact CD1-CD1 4.37Å; I3-L90 HydrophobicContact CD1-CD2 3.94Å | ||
| 4 | E | 98.3 | Very high | 96 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 54% | 0.542 | 26% | 0.26 | S | S | . | . | trans | -96.2 | -37.6 | -179.5 | -64.9 | 178.5 | -179.9 | 0 | 0 | 112.2 | Y25 A27 | E4-Y25 PolarHBondContact N-O 3.07Å; E4-A27 PolarHBondContact OE1-N 3.26Å; E4-A27 VanDerWaalsContact OE1-N 3.14Å | ||
| 5 | K | 98.7 | Very high | 96.1 | Very high | 104 Ų | 104 | 54.7 Ų | 54.7 | 45% | 0.452 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 145.4 | 179.4 | -174.3 | 177.6 | 179.2 | 180 | 0 | 110.2 | Y25 | K5-Y25 HydrophobicContact CB-CD2 3.93Å; K5-Y25 HydrophobicContact CB-CG 4.23Å; K5-Y25 HydrophobicContact CD-CD2 4.32Å; K5-Y25 HydrophobicContact CD-CE2 4.48Å; K5-Y25 HydrophobicContact CG-CD2 4.21Å; K5-Y25 PolarHBondContact O-N 3.08Å |
| 6 | I | 98.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.2 | 163.9 | -69.5 | 165.1 | 0 | 0 | 0 | 107.2 | I3 V22 D23 L24 I69 A74 L77 V114 | I3-I6 HydrophobicContact CD1-CD1 4.44Å; I3-I6 HydrophobicContact CG2-CD1 3.88Å; I3-I6 HydrophobicContact CG2-CG1 3.75Å; I6-V22 HydrophobicContact CG2-CG1 3.78Å; I6-D23 CarbonylContact C-O 3.52Å; I6-D23 WeakPolarHBondContact CA-O 3.38Å; I6-L24 HydrophobicContact CD1-CD1 4.1Å; I6-L24 HydrophobicContact CG1-CB 4.32Å; I6-L24 HydrophobicContact CG1-CD1 4Å; I6-L24 HydrophobicContact CG1-CG 3.91Å; I6-I69 HydrophobicContact CG2-CG2 3.66Å; I6-A74 HydrophobicContact CB-CB 3.7Å; I6-A74 HydrophobicContact CG2-CB 4.05Å; I6-L77 HydrophobicContact CD1-CB 4.15Å; I6-L77 HydrophobicContact CD1-CD1 3.91Å; I6-V114 HydrophobicContact CD1-CG1 4.05Å; I6-V114 HydrophobicContact CG2-CG2 4.4Å |
| 7 | W | 98.9 | Very high | 96.3 | Very high | 122 Ų | 122 | 52.1 Ų | 52.1 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 118.6 | 175 | -176.3 | -89.8 | 0 | 0 | 0 | 110.5 | D23 N70 | W7-D23 PolarHBondContact N-O 2.94Å; W7-D23 PolarHBondContact O-N 3.43Å; W7-N70 WeakPolarHBondContact CA-OD1 3.44Å |
| 8 | A | 98.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 150.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E21 V22 V66 I69 N70 | A8-E21 CarbonylContact C-O 3.57Å; A8-E21 WeakPolarHBondContact CA-O 3.44Å; A8-V22 HydrophobicContact CB-CG2 4.17Å; A8-V66 HydrophobicContact CB-CB 4.44Å; A8-V66 HydrophobicContact CB-CG1 4.06Å; A8-V66 HydrophobicContact CB-CG2 4.47Å; A8-I69 HydrophobicContact CB-CB 3.68Å; A8-I69 HydrophobicContact CB-CD1 3.6Å; A8-I69 HydrophobicContact CB-CG1 4.27Å; A8-I69 HydrophobicContact CB-CG2 3.65Å; A8-N70 PolarHBondContact N-OD1 3.25Å; A8-N70 PolarHBondContact O-ND2 2.72Å; A8-N70 VanDerWaalsContact O-ND2 3.08Å |
| 9 | R | 98.9 | Very high | 96.6 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 25% | 0.253 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 164.4 | 172.4 | 67.2 | -177.5 | 67.6 | 76.6 | 2.5 | 110.6 | I11 E21 D23 | R9-I11 HydrophobicContact CG-CG2 4.11Å; R9-E21 VanDerWaalsContact CD-OE1 3.29Å; R9-E21 WeakPolarHBondContact CD-OE1 3.44Å; R9-E21 HydrophobicContact CG-CB 4.01Å; R9-E21 IonicContact CZ-OE1 3.2Å; R9-E21 PolarHBondContact N-O 2.65Å; R9-E21 IonicContact NE-OE1 2.82Å; R9-E21 IonicContact NH1-OE1 3.03Å; R9-E21 PolarHBondContact NH1-OE1 3.28Å; R9-E21 PolarHBondContact O-N 2.77Å; R9-D23 IonicContact CZ-OD1 3.54Å; R9-D23 IonicContact CZ-OD2 3.42Å; R9-D23 IonicContact NH1-OD1 2.68Å; R9-D23 PolarHBondContact NH1-OD1 3.48Å; R9-D23 IonicContact NH1-OD2 3.05Å; R9-D23 PolarHBondContact NH1-OD2 2.78Å; R9-D23 IonicContact NH2-OD1 3.16Å; R9-D23 IonicContact NH2-OD2 3.55Å; R9-D23 PolarHBondContact NH2-OD2 3.31Å |
| 10 | E | 98.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.7 | 169.9 | -174.6 | 177.6 | -99.5 | 0 | 0 | 109.7 | P18 T19 R56 Y57 V62 L63 | E10-P18 HydrophobicContact CG-CB 3.7Å; E10-P18 WeakPolarHBondContact OE1-CB 3.12Å; E10-T19 WeakPolarHBondContact CA-O 3.31Å; E10-R56 VanDerWaalsContact CD-NH1 3.33Å; E10-R56 IonicContact OE1-CZ 2.6Å; E10-R56 IonicContact OE1-NH1 2.72Å; E10-R56 PolarHBondContact OE1-NH1 2.8Å; E10-R56 IonicContact OE1-NH2 3.35Å; E10-R56 IonicContact OE2-CZ 2.92Å; E10-R56 VanDerWaalsContact OE2-CZ 3.24Å; E10-R56 IonicContact OE2-NH1 2.67Å; E10-R56 PolarHBondContact OE2-NH1 3.36Å; E10-R56 IonicContact OE2-NH2 3.07Å; E10-R56 PolarHBondContact OE2-NH2 2.95Å; E10-Y57 WeakPolarHBondContact OE2-CE2 3.12Å; E10-V62 HydrophobicContact CB-CG2 4.1Å; E10-V62 HydrophobicContact CG-CG2 3.6Å; E10-V62 WeakPolarHBondContact OE1-CG2 3.49Å; E10-V62 PolarHBondContact OE1-N 3.24Å; E10-L63 HydrophobicContact CB-CD2 4.45Å |
| 11 | I | 98.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 43 Ų | 43 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -177.2 | 169.4 | 66.9 | 164.7 | 0 | 0 | 0 | 109.5 | R9 P18 T19 E21 A34 T376 | R9-I11 HydrophobicContact CG-CG2 4.11Å; I11-P18 CarbonylContact O-C 3.56Å; I11-P18 VanDerWaalsContact O-CA 3.27Å; I11-P18 WeakPolarHBondContact O-CA 3.27Å; I11-T19 HydrophobicContact CD1-CG2 4.23Å; I11-T19 HydrophobicContact CG1-CG2 3.72Å; I11-T19 PolarHBondContact N-O 3.13Å; I11-T19 PolarHBondContact O-N 3Å; I11-E21 HydrophobicContact CD1-CB 3.97Å; I11-E21 HydrophobicContact CG1-CB 4.01Å; I11-E21 HydrophobicContact CG2-CB 3.77Å; I11-E21 HydrophobicContact CG2-CG 4.45Å; I11-A34 HydrophobicContact CD1-CB 3.74Å; I11-T376 HydrophobicContact CD1-CG2 4.45Å |
| 12 | L | 98.8 | Very high | 98 | Very high | 81 Ų | 81 | 39 Ų | 39 | 42% | 0.424 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139.6 | 174.9 | -59.5 | -176.8 | 0 | 0 | 0 | 111.4 | N17 P18 Y57 | L12-N17 CarbonylContact C-O 3.49Å; L12-N17 WeakPolarHBondContact CA-O 3.49Å; L12-P18 HydrophobicContact CD2-CG 4.38Å; L12-Y57 HydrophobicContact CD2-CE1 3.82Å |
| 13 | D | 98.7 | Very high | 98.7 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | trans | -76.2 | 178.3 | 169.3 | 79.2 | -0.1 | 0 | 0 | 0 | 111.7 | R15 G16 N17 T19 G374 E375 | D13-R15 PolarHBondContact O-N 3.14Å; D13-R15 WeakPolarHBondContact OD1-CA 3.37Å; D13-R15 WeakPolarHBondContact OD1-CB 3.44Å; D13-R15 PolarHBondContact OD1-N 2.88Å; D13-R15 IonicContact OD2-NE 2.83Å; D13-R15 IonicContact OD2-NH2 3.89Å; D13-G16 PolarHBondContact O-N 3.01Å; D13-G16 PolarHBondContact OD1-N 3.4Å; D13-N17 PolarHBondContact N-O 3.49Å; D13-N17 PolarHBondContact OD1-N 2.68Å; D13-T19 HydrophobicContact CB-CG2 4.34Å; D13-G374 WeakPolarHBondContact OD2-CA 3.21Å; D13-E375 CarbonylContact C-O 3.6Å; D13-E375 WeakPolarHBondContact CA-O 3.48Å | ||
| 14 | S | 98.3 | Very high | 98.7 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.5 | -178.8 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | S373 E375 R400 E402 R403 | S14-S373 PolarHBondContact OG-O 3.02Å; S14-E375 WeakPolarHBondContact CB-O 3.44Å; S14-E375 PolarHBondContact N-O 2.62Å; S14-E375 PolarHBondContact OG-N 2.92Å; S14-E375 PolarHBondContact OG-O 2.71Å; S14-R400 PolarHBondContact O-NH2 3.41Å; S14-E402 VanDerWaalsContact CB-CD 3.49Å; S14-E402 VanDerWaalsContact CB-CG 3.48Å; S14-R403 PolarHBondContact OG-NH2 3.43Å |
| 15 | R | 97.2 | Very high | 98.7 | Very high | 63 Ų | 63 | 33.6 Ų | 33.6 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 2.2 | 175.6 | -61.1 | 177 | -61.8 | 177.4 | -4.2 | 112 | D13 N17 S37 G38 A39 D209 | D13-R15 PolarHBondContact O-N 3.14Å; D13-R15 WeakPolarHBondContact OD1-CA 3.37Å; D13-R15 WeakPolarHBondContact OD1-CB 3.44Å; D13-R15 PolarHBondContact OD1-N 2.88Å; D13-R15 IonicContact OD2-NE 2.83Å; D13-R15 IonicContact OD2-NH2 3.89Å; R15-N17 VanDerWaalsContact C-N 3.33Å; R15-S37 PolarHBondContact NH2-O 3.45Å; R15-G38 PolarHBondContact NH1-O 3.5Å; R15-G38 PolarHBondContact NH2-O 3.3Å; R15-A39 VanDerWaalsContact NH1-CB 3.29Å; R15-D209 VanDerWaalsContact CD-OD2 3.25Å; R15-D209 WeakPolarHBondContact CD-OD2 3.45Å |
| 16 | G | 98.1 | Very high | 98.7 | Very high | 38 Ų | 38 | 28.9 Ų | 28.9 | 39% | 0.392 | 14% | 0.14 | S | C | . | . | S | Bend | trans | 77 | 16.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | D13 | D13-G16 PolarHBondContact O-N 3.01Å; D13-G16 PolarHBondContact OD1-N 3.4Å |
| 17 | N | 98.5 | Very high | 98.7 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | trans | -90.7 | 149.4 | 172.9 | -57.3 | -68.3 | 0 | 0 | 0 | 110.1 | L12 D13 R15 K60 | L12-N17 CarbonylContact C-O 3.49Å; L12-N17 WeakPolarHBondContact CA-O 3.49Å; D13-N17 PolarHBondContact N-O 3.49Å; D13-N17 PolarHBondContact OD1-N 2.68Å; R15-N17 VanDerWaalsContact C-N 3.33Å; N17-K60 HydrophobicContact CB-CD 4.34Å; N17-K60 WeakPolarHBondContact OD1-CD 3.46Å; N17-K60 PolarHBondContact OD1-NZ 3.02Å | ||
| 18 | P | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 145.8 | 173.6 | -29.3 | 38.1 | 0 | 0 | 0 | 113.8 | E10 I11 L12 R50 Y57 K60 V62 | E10-P18 HydrophobicContact CG-CB 3.7Å; E10-P18 WeakPolarHBondContact OE1-CB 3.12Å; I11-P18 CarbonylContact O-C 3.56Å; I11-P18 VanDerWaalsContact O-CA 3.27Å; I11-P18 WeakPolarHBondContact O-CA 3.27Å; L12-P18 HydrophobicContact CD2-CG 4.38Å; P18-R50 PolarHBondContact O-NH1 3.09Å; P18-Y57 HydrophobicContact CG-CD1 3.64Å; P18-Y57 HydrophobicContact CG-CD2 3.39Å; P18-Y57 HydrophobicContact CG-CE1 4.08Å; P18-Y57 HydrophobicContact CG-CE2 3.85Å; P18-Y57 HydrophobicContact CG-CG 3.27Å; P18-K60 WeakPolarHBondContact CB-O 3.43Å; P18-K60 WeakPolarHBondContact CG-O 3.39Å; P18-V62 HydrophobicContact CB-CG1 4.47Å; P18-V62 HydrophobicContact CB-CG2 4.12Å |
| 19 | T | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 169 | 165.6 | -164.7 | 0 | 0 | 0 | 0 | 111.2 | E10 I11 D13 V35 T376 | E10-T19 WeakPolarHBondContact CA-O 3.31Å; I11-T19 HydrophobicContact CD1-CG2 4.23Å; I11-T19 HydrophobicContact CG1-CG2 3.72Å; I11-T19 PolarHBondContact N-O 3.13Å; I11-T19 PolarHBondContact O-N 3Å; D13-T19 HydrophobicContact CB-CG2 4.34Å; T19-V35 WeakPolarHBondContact CB-O 3.36Å; T19-V35 WeakPolarHBondContact CG2-O 3.43Å; T19-V35 PolarHBondContact OG1-O 3.37Å; T19-T376 HydrophobicContact CG2-CG2 3.9Å |
| 20 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.6 | -176.4 | 177 | 0 | 0 | 0 | 0 | 110.2 | V22 A34 V35 V62 A65 V66 I69 N109 | V20-V22 HydrophobicContact CG1-CG2 3.95Å; V20-A34 WeakPolarHBondContact O-CA 3.36Å; V20-V35 HydrophobicContact CB-CB 4.47Å; V20-V35 HydrophobicContact CB-CG2 4.24Å; V20-V35 PolarHBondContact O-N 2.9Å; V20-V62 HydrophobicContact CG2-CB 4.04Å; V20-V62 HydrophobicContact CG2-CG2 4.04Å; V20-A65 HydrophobicContact CG2-CB 3.89Å; V20-V66 HydrophobicContact CG2-CG2 4.36Å; V20-I69 HydrophobicContact CG1-CD1 3.47Å; V20-I69 VanDerWaalsContact CG1-CD1 3.47Å; V20-N109 HydrophobicContact CG2-CB 4.3Å |
| 21 | E | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.9 | 164.1 | -177.1 | -175.8 | 85.1 | 0 | 0 | 109.6 | A8 R9 I11 R32 A33 A34 | A8-E21 CarbonylContact C-O 3.57Å; A8-E21 WeakPolarHBondContact CA-O 3.44Å; R9-E21 VanDerWaalsContact CD-OE1 3.29Å; R9-E21 WeakPolarHBondContact CD-OE1 3.44Å; R9-E21 HydrophobicContact CG-CB 4.01Å; R9-E21 IonicContact CZ-OE1 3.2Å; R9-E21 PolarHBondContact N-O 2.65Å; R9-E21 IonicContact NE-OE1 2.82Å; R9-E21 IonicContact NH1-OE1 3.03Å; R9-E21 PolarHBondContact NH1-OE1 3.28Å; R9-E21 PolarHBondContact O-N 2.77Å; I11-E21 HydrophobicContact CD1-CB 3.97Å; I11-E21 HydrophobicContact CG1-CB 4.01Å; I11-E21 HydrophobicContact CG2-CB 3.77Å; I11-E21 HydrophobicContact CG2-CG 4.45Å; E21-R32 VanDerWaalsContact CD-CD 3.44Å; E21-R32 HydrophobicContact CG-CG 3.77Å; E21-R32 IonicContact OE1-NE 2.96Å; E21-R32 WeakPolarHBondContact OE2-CD 3.49Å; E21-A33 CarbonylContact C-O 3.59Å; E21-A33 WeakPolarHBondContact CA-O 3.37Å; E21-A34 HydrophobicContact CB-CB 4.37Å; E21-A34 HydrophobicContact CG-CB 4.4Å |
| 22 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.8 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | I6 A8 V20 R32 A33 I69 V114 A117 | I6-V22 HydrophobicContact CG2-CG1 3.78Å; A8-V22 HydrophobicContact CB-CG2 4.17Å; V20-V22 HydrophobicContact CG1-CG2 3.95Å; V22-R32 CarbonylContact O-C 3.53Å; V22-R32 VanDerWaalsContact O-CA 3.28Å; V22-R32 WeakPolarHBondContact O-CA 3.49Å; V22-A33 PolarHBondContact N-O 3.38Å; V22-A33 PolarHBondContact O-N 3.07Å; V22-I69 HydrophobicContact CG2-CD1 3.73Å; V22-V114 HydrophobicContact CG1-CG2 4.1Å; V22-V114 HydrophobicContact CG2-CG2 4.22Å; V22-A117 HydrophobicContact CB-CB 4.43Å; V22-A117 HydrophobicContact CG1-CB 4.2Å |
| 23 | D | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.3 | 162.1 | -69.7 | 0.1 | 0 | 0 | 0 | 109.5 | I6 W7 R9 Y25 L30 F31 R32 | I6-D23 CarbonylContact C-O 3.52Å; I6-D23 WeakPolarHBondContact CA-O 3.38Å; W7-D23 PolarHBondContact N-O 2.94Å; W7-D23 PolarHBondContact O-N 3.43Å; R9-D23 IonicContact CZ-OD1 3.54Å; R9-D23 IonicContact CZ-OD2 3.42Å; R9-D23 IonicContact NH1-OD1 2.68Å; R9-D23 PolarHBondContact NH1-OD1 3.48Å; R9-D23 IonicContact NH1-OD2 3.05Å; R9-D23 PolarHBondContact NH1-OD2 2.78Å; R9-D23 IonicContact NH2-OD1 3.16Å; R9-D23 IonicContact NH2-OD2 3.55Å; R9-D23 PolarHBondContact NH2-OD2 3.31Å; D23-Y25 HydrophobicContact CB-CD2 4.37Å; D23-Y25 HydrophobicContact CB-CE2 3.57Å; D23-Y25 PolarHBondContact OD2-OH 3.33Å; D23-L30 HydrophobicContact CB-CD2 4.15Å; D23-L30 HydrophobicContact CB-CG 4.17Å; D23-F31 CarbonylContact C-O 3.56Å; D23-F31 WeakPolarHBondContact CA-O 3.3Å; D23-R32 IonicContact OD1-CZ 3.24Å; D23-R32 IonicContact OD1-NE 3.38Å; D23-R32 PolarHBondContact OD1-NE 3.14Å; D23-R32 IonicContact OD1-NH2 3.08Å; D23-R32 PolarHBondContact OD1-NH2 3.13Å; D23-R32 IonicContact OD2-CZ 2.67Å; D23-R32 IonicContact OD2-NE 3.95Å; D23-R32 IonicContact OD2-NH2 2.72Å; D23-R32 PolarHBondContact OD2-NH2 3.04Å |
| 24 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.9 | 169.6 | -172.6 | 153.7 | 0 | 0 | 0 | 109.1 | I3 I6 T26 F31 V84 A117 V118 A121 | I3-L24 HydrophobicContact CD1-CD1 4.15Å; I3-L24 HydrophobicContact CG1-CD1 4.2Å; I3-L24 HydrophobicContact CG1-CD2 4.35Å; I3-L24 HydrophobicContact CG2-CD1 4.28Å; I3-L24 HydrophobicContact CG2-CD2 4.29Å; I3-L24 HydrophobicContact CG2-CG 4.03Å; I6-L24 HydrophobicContact CD1-CD1 4.1Å; I6-L24 HydrophobicContact CG1-CB 4.32Å; I6-L24 HydrophobicContact CG1-CD1 4Å; I6-L24 HydrophobicContact CG1-CG 3.91Å; L24-T26 HydrophobicContact CD2-CG2 3.57Å; L24-F31 HydrophobicContact CD2-CD2 4.48Å; L24-F31 PolarHBondContact N-O 3.02Å; L24-F31 PolarHBondContact O-N 3.1Å; L24-V84 HydrophobicContact CD2-CG1 4.04Å; L24-A117 HydrophobicContact CB-CB 3.88Å; L24-V118 HydrophobicContact CD1-CB 4.38Å; L24-V118 HydrophobicContact CD1-CG2 3.47Å; L24-V118 VanDerWaalsContact CD1-CG2 3.47Å; L24-A121 HydrophobicContact CD2-CB 3.75Å |
| 25 | Y | 98.9 | Very high | 98.6 | Very high | 70 Ų | 70 | 30 Ų | 30 | 28% | 0.275 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.1 | -179.4 | -62 | -105.4 | 0 | 0 | 0 | 110.2 | E4 K5 D23 G29 L30 | E4-Y25 PolarHBondContact N-O 3.07Å; K5-Y25 HydrophobicContact CB-CD2 3.93Å; K5-Y25 HydrophobicContact CB-CG 4.23Å; K5-Y25 HydrophobicContact CD-CD2 4.32Å; K5-Y25 HydrophobicContact CD-CE2 4.48Å; K5-Y25 HydrophobicContact CG-CD2 4.21Å; K5-Y25 PolarHBondContact O-N 3.08Å; D23-Y25 HydrophobicContact CB-CD2 4.37Å; D23-Y25 HydrophobicContact CB-CE2 3.57Å; D23-Y25 PolarHBondContact OD2-OH 3.33Å; Y25-G29 WeakPolarHBondContact CA-O 3.5Å; Y25-L30 HydrophobicContact CD1-CB 4.1Å; Y25-L30 HydrophobicContact CD1-CG 4.33Å; Y25-L30 HydrophobicContact CE1-CB 3.88Å; Y25-L30 HydrophobicContact CE1-CD1 3.64Å; Y25-L30 HydrophobicContact CE1-CG 3.78Å; Y25-L30 HydrophobicContact CE2-CD1 4.45Å; Y25-L30 HydrophobicContact CE2-CG 4.3Å; Y25-L30 WeakPolarHBondContact OH-CD1 3.42Å |
| 26 | T | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 176.8 | 166.3 | 74.7 | 0 | 0 | 0 | 0 | 108.6 | L24 K28 G29 F31 V84 A121 | L24-T26 HydrophobicContact CD2-CG2 3.57Å; T26-K28 PolarHBondContact O-N 3.34Å; T26-K28 PolarHBondContact OG1-N 3.47Å; T26-K28 VanDerWaalsContact OG1-N 3.1Å; T26-G29 PolarHBondContact N-O 3.4Å; T26-G29 PolarHBondContact O-N 2.88Å; T26-F31 HydrophobicContact CG2-CE2 4.37Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.28Å; T26-V84 HydrophobicContact CG2-CG1 3.89Å; T26-V84 HydrophobicContact CG2-CG2 4.38Å; T26-A121 HydrophobicContact CG2-CB 4.2Å |
| 27 | A | 98 | Very high | 98.6 | Very high | 70 Ų | 70 | 25.9 Ų | 25.9 | 58% | 0.579 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114 | M1 E4 | M1-A27 HydrophobicContact SD-CB 3.79Å; E4-A27 PolarHBondContact OE1-N 3.26Å; E4-A27 VanDerWaalsContact OE1-N 3.14Å |
| 28 | K | 98.4 | Very high | 97.9 | Very high | 87 Ų | 87 | 25 Ų | 25 | 38% | 0.378 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.5 | 174.6 | -67.6 | -73 | -167.9 | 168 | 0 | 113.4 | M1 T26 F31 E127 | M1-K28 HydrophobicContact CE-CD 4.37Å; M1-K28 HydrophobicContact CE-CG 4.16Å; T26-K28 PolarHBondContact O-N 3.34Å; T26-K28 PolarHBondContact OG1-N 3.47Å; T26-K28 VanDerWaalsContact OG1-N 3.1Å; K28-F31 HydrophobicContact CB-CE2 4.24Å; K28-F31 HydrophobicContact CB-CZ 3.88Å; K28-E127 IonicContact NZ-OE1 3.54Å; K28-E127 PolarHBondContact NZ-OE1 3.36Å |
| 29 | G | 98.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 26.8 Ų | 26.8 | 32% | 0.32 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.7 | -154.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y25 T26 F31 | Y25-G29 WeakPolarHBondContact CA-O 3.5Å; T26-G29 PolarHBondContact N-O 3.4Å; T26-G29 PolarHBondContact O-N 2.88Å; G29-F31 WeakPolarHBondContact O-CE2 3.43Å |
| 30 | L | 98.7 | Very high | 95.5 | Very high | 72 Ų | 72 | 26.9 Ų | 26.9 | 38% | 0.377 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.9 | -178.4 | -176.1 | 172.7 | 0 | 0 | 0 | 109.8 | D23 Y25 R32 | D23-L30 HydrophobicContact CB-CD2 4.15Å; D23-L30 HydrophobicContact CB-CG 4.17Å; Y25-L30 HydrophobicContact CD1-CB 4.1Å; Y25-L30 HydrophobicContact CD1-CG 4.33Å; Y25-L30 HydrophobicContact CE1-CB 3.88Å; Y25-L30 HydrophobicContact CE1-CD1 3.64Å; Y25-L30 HydrophobicContact CE1-CG 3.78Å; Y25-L30 HydrophobicContact CE2-CD1 4.45Å; Y25-L30 HydrophobicContact CE2-CG 4.3Å; Y25-L30 WeakPolarHBondContact OH-CD1 3.42Å; L30-R32 HydrophobicContact CD2-CB 3.97Å |
| 31 | F | 98.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 12% | 0.118 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.3 | 176.2 | -56 | -79.9 | 0 | 0 | 0 | 109.5 | D23 L24 T26 K28 G29 K120 A121 A124 | D23-F31 CarbonylContact C-O 3.56Å; D23-F31 WeakPolarHBondContact CA-O 3.3Å; L24-F31 HydrophobicContact CD2-CD2 4.48Å; L24-F31 PolarHBondContact N-O 3.02Å; L24-F31 PolarHBondContact O-N 3.1Å; T26-F31 HydrophobicContact CG2-CE2 4.37Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.28Å; K28-F31 HydrophobicContact CB-CE2 4.24Å; K28-F31 HydrophobicContact CB-CZ 3.88Å; G29-F31 WeakPolarHBondContact O-CE2 3.43Å; F31-K120 HydrophobicContact CB-CB 4.14Å; F31-K120 HydrophobicContact CD1-CB 4.29Å; F31-A121 HydrophobicContact CB-CB 4.07Å; F31-A121 HydrophobicContact CD1-CB 4.24Å; F31-A121 HydrophobicContact CD2-CB 3.36Å; F31-A121 HydrophobicContact CE2-CB 3.86Å; F31-A121 HydrophobicContact CG-CB 3.58Å; F31-A121 HydrophobicContact CZ-CB 4.48Å; F31-A124 HydrophobicContact CD1-CB 4.33Å; F31-A124 HydrophobicContact CE1-CB 3.22Å; F31-A124 HydrophobicContact CZ-CB 3.4Å; F31-A124 VanDerWaalsContact CZ-CB 3.4Å |
| 32 | R | 98.9 | Very high | 93.6 | Very high | 113 Ų | 113 | 29.7 Ų | 29.7 | 43% | 0.426 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.8 | -172.4 | -179.9 | 172.8 | -71.1 | 155.5 | 7.1 | 111.2 | E21 V22 D23 L30 K120 | E21-R32 VanDerWaalsContact CD-CD 3.44Å; E21-R32 HydrophobicContact CG-CG 3.77Å; E21-R32 IonicContact OE1-NE 2.96Å; E21-R32 WeakPolarHBondContact OE2-CD 3.49Å; V22-R32 CarbonylContact O-C 3.53Å; V22-R32 VanDerWaalsContact O-CA 3.28Å; V22-R32 WeakPolarHBondContact O-CA 3.49Å; D23-R32 IonicContact OD1-CZ 3.24Å; D23-R32 IonicContact OD1-NE 3.38Å; D23-R32 PolarHBondContact OD1-NE 3.14Å; D23-R32 IonicContact OD1-NH2 3.08Å; D23-R32 PolarHBondContact OD1-NH2 3.13Å; D23-R32 IonicContact OD2-CZ 2.67Å; D23-R32 IonicContact OD2-NE 3.95Å; D23-R32 IonicContact OD2-NH2 2.72Å; D23-R32 PolarHBondContact OD2-NH2 3.04Å; L30-R32 HydrophobicContact CD2-CB 3.97Å; R32-K120 WeakPolarHBondContact O-CD 3.16Å; R32-K120 WeakPolarHBondContact O-CE 3.46Å; R32-K120 PolarHBondContact O-NZ 2.87Å |
| 33 | A | 98.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E21 V22 L116 A117 D378 | E21-A33 CarbonylContact C-O 3.59Å; E21-A33 WeakPolarHBondContact CA-O 3.37Å; V22-A33 PolarHBondContact N-O 3.38Å; V22-A33 PolarHBondContact O-N 3.07Å; A33-L116 HydrophobicContact CB-CB 3.39Å; A33-L116 HydrophobicContact CB-CD1 4.32Å; A33-A117 HydrophobicContact CB-CB 4.14Å; A33-D378 WeakPolarHBondContact CA-OD2 3.32Å |
| 34 | A | 98.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I11 V20 E21 T376 D378 | I11-A34 HydrophobicContact CD1-CB 3.74Å; V20-A34 WeakPolarHBondContact O-CA 3.36Å; E21-A34 HydrophobicContact CB-CB 4.37Å; E21-A34 HydrophobicContact CG-CB 4.4Å; A34-T376 HydrophobicContact CB-CG2 3.9Å; A34-D378 HydrophobicContact CB-CB 4.34Å; A34-D378 PolarHBondContact N-OD2 2.83Å |
| 35 | V | 98.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | trans | -101.5 | 129 | -173.8 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | T19 V20 N109 L112 G113 | T19-V35 WeakPolarHBondContact CB-O 3.36Å; T19-V35 WeakPolarHBondContact CG2-O 3.43Å; T19-V35 PolarHBondContact OG1-O 3.37Å; V20-V35 HydrophobicContact CB-CB 4.47Å; V20-V35 HydrophobicContact CB-CG2 4.24Å; V20-V35 PolarHBondContact O-N 2.9Å; V35-N109 HydrophobicContact CG1-CB 3.91Å; V35-N109 WeakPolarHBondContact CG2-O 3.45Å; V35-L112 HydrophobicContact CG1-CD2 3.94Å; V35-L112 HydrophobicContact CG2-CB 4.43Å; V35-G113 VanDerWaalsContact CG2-CA 3.47Å | ||
| 36 | P | 98.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 8% | 0.078 | 21% | 0.212 | C | C | . | . | trans | -79.4 | 166.7 | 174.7 | 35.5 | -36.9 | 0 | 0 | 0 | 111.7 | N345 R372 G374 | P36-N345 HydrophobicContact CG-CB 4.29Å; P36-N345 PolarHBondContact O-ND2 2.96Å; P36-R372 HydrophobicContact CB-CB 4.01Å; P36-R372 HydrophobicContact CB-CG 3.83Å; P36-R372 HydrophobicContact CG-CG 3.96Å; P36-G374 CarbonylContact C-O 3.47Å; P36-G374 WeakPolarHBondContact CA-O 3.45Å; P36-G374 WeakPolarHBondContact CB-O 3.49Å | ||
| 37 | S | 96.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -137.1 | 140.5 | -179.4 | -177.3 | 0 | 0 | 0 | 0 | 112 | R15 E48 R50 R372 G374 | R15-S37 PolarHBondContact NH2-O 3.45Å; S37-E48 WeakPolarHBondContact CA-OE2 3.46Å; S37-E48 VanDerWaalsContact CB-OE2 3.31Å; S37-E48 WeakPolarHBondContact CB-OE2 3.48Å; S37-E48 VanDerWaalsContact OG-CD 3.27Å; S37-E48 PolarHBondContact OG-OE1 3.04Å; S37-E48 VanDerWaalsContact OG-OE1 3.09Å; S37-E48 PolarHBondContact OG-OE2 2.89Å; S37-R50 PolarHBondContact OG-NH2 3.19Å; S37-R372 VanDerWaalsContact O-CB 3.26Å; S37-R372 WeakPolarHBondContact O-CB 3.38Å; S37-G374 PolarHBondContact N-O 2.85Å; S37-G374 CarbonylContact O-C 3.51Å; S37-G374 WeakPolarHBondContact O-CA 3.36Å; S37-G374 PolarHBondContact O-N 3.43Å |
| 38 | G | 84.3 | Confident | 92.4 | Very high | 9 Ų | 9 | 40 Ų | 40 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | trans | -80.2 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R15 | R15-G38 PolarHBondContact NH1-O 3.5Å; R15-G38 PolarHBondContact NH2-O 3.3Å | ||
| 39 | A | 77.8 | Confident | 92.4 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -112.1 | -62.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R15 S373 | R15-A39 VanDerWaalsContact NH1-CB 3.29Å; A39-S373 WeakPolarHBondContact CB-OG 3.2Å; A39-S373 PolarHBondContact N-OG 3.48Å; A39-S373 VanDerWaalsContact N-OG 3.1Å |
| 40 | S | 67.9 | Low | 92.4 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -78.5 | 112.7 | 160.8 | 57.9 | 0 | 0 | 0 | 0 | 107.4 | Q166 R372 | S40-Q166 PolarHBondContact OG-NE2 3.38Å; S40-Q166 PolarHBondContact OG-OE1 2.92Å; S40-R372 PolarHBondContact O-NH2 3.15Å |
| 41 | T | 79.4 | Confident | 92.4 | Very high | 71 Ų | 71 | 35.8 Ų | 35.8 | 44% | 0.436 | 18% | 0.182 | S | C | . | . | trans | -119.7 | 116.1 | 179.1 | 54.4 | 0 | 0 | 0 | 0 | 108.2 | E45 | T41-E45 WeakPolarHBondContact CA-OE1 3.34Š| ||
| 42 | G | 79.5 | Confident | 92.3 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | trans | -53.5 | 144.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y44 E45 Q298 D319 | G42-Y44 PolarHBondContact O-N 3.27Å; G42-Y44 VanDerWaalsContact O-N 3.07Å; G42-E45 PolarHBondContact N-OE1 3.11Å; G42-E45 WeakPolarHBondContact O-CG 3.33Å; G42-E45 PolarHBondContact O-N 3.01Å; G42-Q298 VanDerWaalsContact CA-OE1 3.29Å; G42-D319 VanDerWaalsContact CA-OD1 3.25Å; G42-D319 WeakPolarHBondContact CA-OD1 3.38Å; G42-D319 PolarHBondContact N-OD1 3.03Å | ||
| 43 | I | 89.9 | Confident | 92.3 | Very high | 113 Ų | 113 | 35.4 Ų | 35.4 | 58% | 0.579 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.4 | -174.7 | 67.9 | -175.7 | 0 | 0 | 0 | 112.9 | ||
| 44 | Y | 93.5 | Very high | 92.2 | Very high | 93 Ų | 93 | 44.2 Ų | 44.2 | 37% | 0.365 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -0.1 | -178.9 | -61.8 | -68.8 | 0 | 0 | 0 | 113.8 | G42 Q298 D299 R327 | G42-Y44 PolarHBondContact O-N 3.27Å; G42-Y44 VanDerWaalsContact O-N 3.07Å; Y44-Q298 HydrophobicContact CE2-CG 4.41Å; Y44-D299 VanDerWaalsContact CE2-OD1 3.32Å; Y44-D299 WeakPolarHBondContact CE2-OD1 3.31Å; Y44-D299 WeakPolarHBondContact CE2-OD2 3.49Å; Y44-D299 PolarHBondContact OH-OD1 3.46Å; Y44-D299 VanDerWaalsContact OH-OD1 3.13Å; Y44-D299 PolarHBondContact OH-OD2 3.2Å; Y44-D299 VanDerWaalsContact OH-OD2 3.05Å; Y44-R327 VanDerWaalsContact CD2-CZ 3.48Å; Y44-R327 VanDerWaalsContact CD2-NH1 3.26Å; Y44-R327 VanDerWaalsContact CE2-CZ 3.42Å |
| 45 | E | 94.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -60.2 | 149.9 | 175.6 | -67.8 | -168.5 | -164.6 | 0 | 0 | 111.6 | T41 G42 V322 Q346 R372 | T41-E45 WeakPolarHBondContact CA-OE1 3.34Å; G42-E45 PolarHBondContact N-OE1 3.11Å; G42-E45 WeakPolarHBondContact O-CG 3.33Å; G42-E45 PolarHBondContact O-N 3.01Å; E45-V322 HydrophobicContact CG-CB 4.14Å; E45-V322 HydrophobicContact CG-CG1 3.69Å; E45-Q346 VanDerWaalsContact CD-CG 3.49Å; E45-Q346 HydrophobicContact CG-CB 4.12Å; E45-Q346 HydrophobicContact CG-CG 3.76Å; E45-Q346 PolarHBondContact OE1-NE2 3.35Å; E45-R372 IonicContact OE1-CZ 2.87Å; E45-R372 IonicContact OE1-NH1 3.28Å; E45-R372 IonicContact OE1-NH2 3.52Å; E45-R372 PolarHBondContact OE1-NH2 2.87Å; E45-R372 IonicContact OE2-CZ 3.82Å; E45-R372 IonicContact OE2-NH1 2.85Å; E45-R372 PolarHBondContact OE2-NH1 2.62Å; E45-R372 IonicContact OE2-NH2 3.59Å; E45-R372 PolarHBondContact OE2-NH2 2.91Å |
| 46 | A | 95.8 | Very high | 92.1 | Very high | 12 Ų | 12 | 56.2 Ų | 56.2 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 146.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E48 K103 A108 Q346 | A46-E48 PolarHBondContact O-N 2.97Å; A46-K103 HydrophobicContact CB-CD 4.17Å; A46-A108 HydrophobicContact CB-CB 3.59Å; A46-Q346 WeakPolarHBondContact CB-O 3.49Å; A46-Q346 PolarHBondContact N-O 3.24Å |
| 47 | L | 96.8 | Very high | 92.1 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -71 | 119 | -167.5 | -175.5 | 74.4 | 0 | 0 | 0 | 111.8 | L49 N102 G107 A108 | L47-L49 PolarHBondContact O-N 3.29Å; L47-N102 PolarHBondContact N-O 3.32Å; L47-G107 CarbonylContact O-C 3.52Å; L47-G107 WeakPolarHBondContact O-CA 3.49Å; L47-A108 WeakPolarHBondContact O-CB 3.45Å; L47-A108 PolarHBondContact O-N 3.25Å |
| 48 | E | 97.3 | Very high | 92.2 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 23% | 0.229 | 34% | 0.344 | C | S | . | . | trans | -78.2 | 107.4 | 164.4 | -163.5 | -167.5 | 112.3 | 0 | 0 | 110 | S37 A46 R50 N109 | S37-E48 WeakPolarHBondContact CA-OE2 3.46Å; S37-E48 VanDerWaalsContact CB-OE2 3.31Å; S37-E48 WeakPolarHBondContact CB-OE2 3.48Å; S37-E48 VanDerWaalsContact OG-CD 3.27Å; S37-E48 PolarHBondContact OG-OE1 3.04Å; S37-E48 VanDerWaalsContact OG-OE1 3.09Å; S37-E48 PolarHBondContact OG-OE2 2.89Å; A46-E48 PolarHBondContact O-N 2.97Å; E48-R50 PolarHBondContact O-N 2.83Å; E48-R50 IonicContact OE1-CZ 2.55Å; E48-R50 IonicContact OE1-NE 4Å; E48-R50 PolarHBondContact OE1-NE 3.07Å; E48-R50 IonicContact OE1-NH2 2.97Å; E48-R50 PolarHBondContact OE1-NH2 2.86Å; E48-N109 HydrophobicContact CG-CB 4.17Å | ||
| 49 | L | 98.1 | Very high | 92.8 | Very high | 29 Ų | 29 | 67.6 Ų | 67.6 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | trans | -77.5 | 117.8 | -175 | -177.9 | 65 | 0 | 0 | 0 | 111.3 | L47 K64 A65 F106 N109 | L47-L49 PolarHBondContact O-N 3.29Å; L49-K64 HydrophobicContact CD2-CB 3.95Å; L49-K64 HydrophobicContact CG-CB 4.4Å; L49-A65 HydrophobicContact CB-CB 4.48Å; L49-F106 WeakPolarHBondContact CD2-O 3.43Å; L49-N109 PolarHBondContact N-OD1 3.4Å; L49-N109 PolarHBondContact O-ND2 3.46Å | ||
| 50 | R | 98.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 69.7 Ų | 69.7 | 21% | 0.208 | 35% | 0.348 | C | S | . | . | trans | -111.5 | 154.3 | 174.5 | -63 | -67.8 | -170.4 | 167.3 | -8.9 | 111.7 | P18 S37 E48 K60 G61 | P18-R50 PolarHBondContact O-NH1 3.09Å; S37-R50 PolarHBondContact OG-NH2 3.19Å; E48-R50 PolarHBondContact O-N 2.83Å; E48-R50 IonicContact OE1-CZ 2.55Å; E48-R50 IonicContact OE1-NE 4Å; E48-R50 PolarHBondContact OE1-NE 3.07Å; E48-R50 IonicContact OE1-NH2 2.97Å; E48-R50 PolarHBondContact OE1-NH2 2.86Å; R50-K60 PolarHBondContact NH1-O 3.4Å; R50-G61 CarbonylContact C-O 3.5Å; R50-G61 WeakPolarHBondContact CA-O 3.28Å | ||
| 51 | D | 98.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | trans | -70.2 | -35.3 | -176.3 | -68 | -19.3 | 0 | 0 | 0 | 112.8 | D53 R56 G61 V62 L63 K64 | D51-D53 PolarHBondContact O-N 3.21Å; D51-R56 IonicContact OD2-NH1 2.82Å; D51-G61 VanDerWaalsContact CG-O 3.24Å; D51-G61 PolarHBondContact N-O 3.06Å; D51-G61 WeakPolarHBondContact OD2-CA 3.22Å; D51-V62 PolarHBondContact OD2-N 3.27Å; D51-L63 VanDerWaalsContact CG-N 3.33Å; D51-L63 PolarHBondContact OD1-N 3.46Å; D51-L63 WeakPolarHBondContact OD2-CB 3.45Å; D51-L63 PolarHBondContact OD2-N 2.83Å; D51-K64 WeakPolarHBondContact O-CE 3.26Å; D51-K64 PolarHBondContact O-NZ 2.91Å; D51-K64 WeakPolarHBondContact OD1-CG 3.16Å; D51-K64 PolarHBondContact OD1-N 3.28Å | ||
| 52 | G | 97.7 | Very high | 96.2 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | trans | 74.7 | 3.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K54 G59 | G52-K54 PolarHBondContact O-N 3.38Å; G52-G59 WeakPolarHBondContact CA-O 3.42Å; G52-G59 PolarHBondContact N-O 3.02Å | ||
| 53 | D | 97.8 | Very high | 97.1 | Very high | 77 Ų | 77 | 69 Ų | 69 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | trans | -75.9 | 102.7 | 175.8 | 178.6 | 8.2 | 0 | 0 | 0 | 111.4 | D51 Q55 R56 G59 | D51-D53 PolarHBondContact O-N 3.21Å; D53-Q55 PolarHBondContact O-N 3.46Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.47Å; D53-Q55 PolarHBondContact OD1-N 3.19Å; D53-R56 HydrophobicContact CB-CB 4.42Å; D53-R56 PolarHBondContact O-N 3.12Å; D53-G59 WeakPolarHBondContact O-CA 3.46Å; D53-G59 PolarHBondContact O-N 3.21Å | ||
| 54 | K | 97.6 | Very high | 97.5 | Very high | 185 Ų | 185 | 68.4 Ų | 68.4 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.8 | -178.8 | -65.3 | -174.9 | 179.1 | -178.6 | 0 | 113.9 | G52 R56 | G52-K54 PolarHBondContact O-N 3.38Å; K54-R56 VanDerWaalsContact C-N 3.34Å |
| 55 | Q | 97.9 | Very high | 97.8 | Very high | 189 Ų | 189 | 64 Ų | 64 | 88% | 0.883 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15.6 | 178.4 | -58.6 | -172.9 | 9.9 | 0 | 0 | 112.8 | D53 | D53-Q55 PolarHBondContact O-N 3.46Å; D53-Q55 WeakPolarHBondContact OD1-CB 3.47Å; D53-Q55 PolarHBondContact OD1-N 3.19Å |
| 56 | R | 98.1 | Very high | 98 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -122.6 | 118.2 | -176.7 | -173.3 | -179.4 | -172.2 | -79.8 | -8.6 | 110.9 | E10 D51 D53 K54 L58 G59 | E10-R56 VanDerWaalsContact CD-NH1 3.33Å; E10-R56 IonicContact OE1-CZ 2.6Å; E10-R56 IonicContact OE1-NH1 2.72Å; E10-R56 PolarHBondContact OE1-NH1 2.8Å; E10-R56 IonicContact OE1-NH2 3.35Å; E10-R56 IonicContact OE2-CZ 2.92Å; E10-R56 VanDerWaalsContact OE2-CZ 3.24Å; E10-R56 IonicContact OE2-NH1 2.67Å; E10-R56 PolarHBondContact OE2-NH1 3.36Å; E10-R56 IonicContact OE2-NH2 3.07Å; E10-R56 PolarHBondContact OE2-NH2 2.95Å; D51-R56 IonicContact OD2-NH1 2.82Å; D53-R56 HydrophobicContact CB-CB 4.42Å; D53-R56 PolarHBondContact O-N 3.12Å; K54-R56 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3.03Å; R56-G59 PolarHBondContact O-N 3.1Å |
| 57 | Y | 97.9 | Very high | 98.1 | Very high | 105 Ų | 105 | 67 Ų | 67 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | 48.2 | 36.2 | -178.1 | -71.4 | -74.5 | 0 | 0 | 0 | 113.3 | E10 L12 P18 G59 K60 | E10-Y57 WeakPolarHBondContact OE2-CE2 3.12Å; L12-Y57 HydrophobicContact CD2-CE1 3.82Å; P18-Y57 HydrophobicContact CG-CD1 3.64Å; P18-Y57 HydrophobicContact CG-CD2 3.39Å; P18-Y57 HydrophobicContact CG-CE1 4.08Å; P18-Y57 HydrophobicContact CG-CE2 3.85Å; P18-Y57 HydrophobicContact CG-CG 3.27Å; Y57-G59 PolarHBondContact O-N 3.48Å; Y57-K60 VanDerWaalsContact O-CB 3.28Å; Y57-K60 WeakPolarHBondContact O-CB 3.4Å; Y57-K60 WeakPolarHBondContact O-CG 3.45Å; Y57-K60 PolarHBondContact O-N 2.96Å |
| 58 | L | 97.7 | Very high | 98.2 | Very high | 147 Ų | 147 | 66.2 Ų | 66.2 | 77% | 0.77 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | 57.1 | 31.2 | 179.8 | -45.7 | 178.2 | 0 | 0 | 0 | 113.6 | R56 | R56-L58 PolarHBondContact O-N 3.03Š|
| 59 | G | 97.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 12% | 0.124 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | 90.5 | -2.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G52 D53 R56 Y57 | G52-G59 WeakPolarHBondContact CA-O 3.42Å; G52-G59 PolarHBondContact N-O 3.02Å; D53-G59 WeakPolarHBondContact O-CA 3.46Å; D53-G59 PolarHBondContact O-N 3.21Å; R56-G59 PolarHBondContact O-N 3.1Å; Y57-G59 PolarHBondContact O-N 3.48Å |
| 60 | K | 98.4 | Very high | 98.4 | Very high | 82 Ų | 82 | 64.2 Ų | 64.2 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 14 | -172.6 | -53.6 | 180 | -172 | 175.9 | 0 | 114.4 | N17 P18 R50 Y57 | N17-K60 HydrophobicContact CB-CD 4.34Å; N17-K60 WeakPolarHBondContact OD1-CD 3.46Å; N17-K60 PolarHBondContact OD1-NZ 3.02Å; P18-K60 WeakPolarHBondContact CB-O 3.43Å; P18-K60 WeakPolarHBondContact CG-O 3.39Å; R50-K60 PolarHBondContact NH1-O 3.4Å; Y57-K60 VanDerWaalsContact O-CB 3.28Å; Y57-K60 WeakPolarHBondContact O-CB 3.4Å; Y57-K60 WeakPolarHBondContact O-CG 3.45Å; Y57-K60 PolarHBondContact O-N 2.96Å |
| 61 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -57 | 157.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R50 D51 | R50-G61 CarbonylContact C-O 3.5Å; R50-G61 WeakPolarHBondContact CA-O 3.28Å; D51-G61 VanDerWaalsContact CG-O 3.24Å; D51-G61 PolarHBondContact N-O 3.06Å; D51-G61 WeakPolarHBondContact OD2-CA 3.22Å | ||
| 62 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -124.4 | 23.7 | 176.5 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | E10 P18 V20 D51 K64 A65 V66 | E10-V62 HydrophobicContact CB-CG2 4.1Å; E10-V62 HydrophobicContact CG-CG2 3.6Å; E10-V62 WeakPolarHBondContact OE1-CG2 3.49Å; E10-V62 PolarHBondContact OE1-N 3.24Å; P18-V62 HydrophobicContact CB-CG1 4.47Å; P18-V62 HydrophobicContact CB-CG2 4.12Å; V20-V62 HydrophobicContact CG2-CB 4.04Å; V20-V62 HydrophobicContact CG2-CG2 4.04Å; D51-V62 PolarHBondContact OD2-N 3.27Å; V62-K64 VanDerWaalsContact C-N 3.27Å; V62-K64 PolarHBondContact O-N 3.18Å; V62-A65 HydrophobicContact CB-CB 4.49Å; V62-A65 PolarHBondContact O-N 3.23Å; V62-A65 VanDerWaalsContact O-N 3.17Å; V62-V66 HydrophobicContact CG2-CG2 4.36Å; V62-V66 WeakPolarHBondContact O-CG2 3.5Å; V62-V66 PolarHBondContact O-N 3.41Å | ||
| 63 | L | 98.8 | Very high | 98.5 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.2 | -36.4 | -177.8 | -62.4 | -176.5 | 0 | 0 | 0 | 112.1 | E10 D51 A65 V66 D67 | E10-L63 HydrophobicContact CB-CD2 4.45Å; D51-L63 VanDerWaalsContact CG-N 3.33Å; D51-L63 PolarHBondContact OD1-N 3.46Å; D51-L63 WeakPolarHBondContact OD2-CB 3.45Å; D51-L63 PolarHBondContact OD2-N 2.83Å; L63-A65 PolarHBondContact O-N 3.48Å; L63-V66 PolarHBondContact O-N 3.12Å; L63-D67 WeakPolarHBondContact O-CB 3.34Å; L63-D67 PolarHBondContact O-N 3.46Å |
| 64 | K | 98.8 | Very high | 98.5 | Very high | 99 Ų | 99 | 61.2 Ų | 61.2 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.1 | -66.7 | 176.8 | -168 | 167.1 | 0 | 112.2 | L49 D51 V62 D67 H68 | L49-K64 HydrophobicContact CD2-CB 3.95Å; L49-K64 HydrophobicContact CG-CB 4.4Å; D51-K64 WeakPolarHBondContact O-CE 3.26Å; D51-K64 PolarHBondContact O-NZ 2.91Å; D51-K64 WeakPolarHBondContact OD1-CG 3.16Å; D51-K64 PolarHBondContact OD1-N 3.28Å; V62-K64 VanDerWaalsContact C-N 3.27Å; V62-K64 PolarHBondContact O-N 3.18Å; K64-D67 PolarHBondContact O-N 3.07Å; K64-H68 PolarHBondContact O-CD2 3.06Å; K64-H68 PolarHBondContact O-N 2.88Å |
| 65 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V20 L49 V62 L63 D67 H68 I69 A110 | V20-A65 HydrophobicContact CG2-CB 3.89Å; L49-A65 HydrophobicContact CB-CB 4.48Å; V62-A65 HydrophobicContact CB-CB 4.49Å; V62-A65 PolarHBondContact O-N 3.23Å; V62-A65 VanDerWaalsContact O-N 3.17Å; L63-A65 PolarHBondContact O-N 3.48Å; A65-D67 VanDerWaalsContact C-N 3.33Å; A65-D67 PolarHBondContact O-N 2.72Å; A65-H68 PolarHBondContact O-N 3.34Å; A65-I69 WeakPolarHBondContact O-CG1 3.45Å; A65-I69 PolarHBondContact O-N 3.37Å; A65-I69 VanDerWaalsContact O-N 3.11Å; A65-A110 HydrophobicContact CB-CB 4.21Å |
| 66 | V | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 173.6 | 169 | 0 | 0 | 0 | 0 | 111.4 | A8 V20 V62 L63 I69 N70 | A8-V66 HydrophobicContact CB-CB 4.44Å; A8-V66 HydrophobicContact CB-CG1 4.06Å; A8-V66 HydrophobicContact CB-CG2 4.47Å; V20-V66 HydrophobicContact CG2-CG2 4.36Å; V62-V66 HydrophobicContact CG2-CG2 4.36Å; V62-V66 WeakPolarHBondContact O-CG2 3.5Å; V62-V66 PolarHBondContact O-N 3.41Å; L63-V66 PolarHBondContact O-N 3.12Å; V66-I69 PolarHBondContact O-N 2.92Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.5Å; V66-N70 PolarHBondContact O-N 3.1Å; V66-N70 PolarHBondContact O-ND2 3Å |
| 67 | D | 98.9 | Very high | 98.6 | Very high | 92 Ų | 92 | 44.2 Ų | 44.2 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 179.3 | -74.7 | -17.4 | 0 | 0 | 0 | 112 | L63 K64 A65 I69 N70 S71 | L63-D67 WeakPolarHBondContact O-CB 3.34Å; L63-D67 PolarHBondContact O-N 3.46Å; K64-D67 PolarHBondContact O-N 3.07Å; A65-D67 VanDerWaalsContact C-N 3.33Å; A65-D67 PolarHBondContact O-N 2.72Å; D67-I69 VanDerWaalsContact C-N 3.31Å; D67-I69 PolarHBondContact O-N 3.09Å; D67-N70 PolarHBondContact O-N 2.93Å; D67-S71 WeakPolarHBondContact O-CB 3.4Å; D67-S71 PolarHBondContact O-N 2.89Å; D67-S71 PolarHBondContact O-OG 3.21Å; D67-S71 VanDerWaalsContact O-OG 3.08Å |
| 68 | H | 98.9 | Very high | 98.7 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 173 | -72.3 | -47.1 | 0 | 0 | 0 | 111.9 | K64 A65 T72 I73 K105 F106 | K64-H68 PolarHBondContact O-CD2 3.06Å; K64-H68 PolarHBondContact O-N 2.88Å; A65-H68 PolarHBondContact O-N 3.34Å; H68-T72 WeakPolarHBondContact O-CA 3.5Å; H68-T72 VanDerWaalsContact O-CB 3.3Å; H68-T72 WeakPolarHBondContact O-CB 3.48Å; H68-T72 PolarHBondContact O-N 2.88Å; H68-I73 PolarHBondContact O-N 3.1Å; H68-K105 PolarHBondContact NE2-O 2.9Å; H68-F106 HydrophobicContact CB-CB 4.3Å; H68-F106 HydrophobicContact CB-CD1 4Å; H68-F106 HydrophobicContact CB-CG 4.38Å; H68-F106 AromaticContact CG-CD1 3.79Å; H68-F106 AromaticContact ND1-CD1 3.79Å |
| 69 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -63.2 | -55.8 | 175.8 | -64 | 161.5 | 0 | 0 | 0 | 110.2 | I6 A8 V20 V22 A65 V66 D67 S71 I73 A74 A110 V114 | I6-I69 HydrophobicContact CG2-CG2 3.66Å; A8-I69 HydrophobicContact CB-CB 3.68Å; A8-I69 HydrophobicContact CB-CD1 3.6Å; A8-I69 HydrophobicContact CB-CG1 4.27Å; A8-I69 HydrophobicContact CB-CG2 3.65Å; V20-I69 HydrophobicContact CG1-CD1 3.47Å; V20-I69 VanDerWaalsContact CG1-CD1 3.47Å; V22-I69 HydrophobicContact CG2-CD1 3.73Å; A65-I69 WeakPolarHBondContact O-CG1 3.45Å; A65-I69 PolarHBondContact O-N 3.37Å; A65-I69 VanDerWaalsContact O-N 3.11Å; V66-I69 PolarHBondContact O-N 2.92Å; D67-I69 VanDerWaalsContact C-N 3.31Å; D67-I69 PolarHBondContact O-N 3.09Å; I69-S71 PolarHBondContact O-N 3.41Å; I69-I73 HydrophobicContact CG1-CD1 4.18Å; I69-I73 PolarHBondContact O-N 2.98Å; I69-A74 WeakPolarHBondContact O-CB 3.45Å; I69-A74 PolarHBondContact O-N 3.15Å; I69-A110 HydrophobicContact CD1-CB 4.16Å; I69-A110 WeakPolarHBondContact CD1-O 3.17Å; I69-A110 HydrophobicContact CG1-CB 3.84Å; I69-A110 WeakPolarHBondContact CG1-O 3.34Å; I69-V114 HydrophobicContact CB-CG2 4.45Å; I69-V114 HydrophobicContact CD1-CG2 4.39Å; I69-V114 HydrophobicContact CG1-CG2 4.03Å; I69-V114 HydrophobicContact CG2-CG2 3.62Å |
| 70 | N | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -65.4 | -37 | -172.5 | -74.2 | -30.5 | 0 | 0 | 0 | 113.3 | W7 A8 V66 D67 | W7-N70 WeakPolarHBondContact CA-OD1 3.44Å; A8-N70 PolarHBondContact N-OD1 3.25Å; A8-N70 PolarHBondContact O-ND2 2.72Å; A8-N70 VanDerWaalsContact O-ND2 3.08Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.5Å; V66-N70 PolarHBondContact O-N 3.1Å; V66-N70 PolarHBondContact O-ND2 3Å; D67-N70 PolarHBondContact O-N 2.93Å |
| 71 | S | 98.7 | Very high | 98.7 | Very high | 84 Ų | 84 | 40.1 Ų | 40.1 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | I | π-helix | trans | -102.7 | -17.3 | -169.1 | -49.6 | 0 | 0 | 0 | 0 | 113.9 | D67 I69 | D67-S71 WeakPolarHBondContact O-CB 3.4Å; D67-S71 PolarHBondContact O-N 2.89Å; D67-S71 PolarHBondContact O-OG 3.21Å; D67-S71 VanDerWaalsContact O-OG 3.08Å; I69-S71 PolarHBondContact O-N 3.41Å |
| 72 | T | 98.8 | Very high | 98.6 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -128.7 | -56.1 | -173.1 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | H68 P75 A76 L97 F106 | H68-T72 WeakPolarHBondContact O-CA 3.5Å; H68-T72 VanDerWaalsContact O-CB 3.3Å; H68-T72 WeakPolarHBondContact O-CB 3.48Å; H68-T72 PolarHBondContact O-N 2.88Å; T72-P75 WeakPolarHBondContact O-CD 3.44Å; T72-P75 WeakPolarHBondContact O-CG 3.37Å; T72-A76 WeakPolarHBondContact O-CB 3.44Å; T72-A76 PolarHBondContact O-N 3.28Å; T72-L97 HydrophobicContact CG2-CD2 4.11Å; T72-F106 HydrophobicContact CG2-CE1 3.95Å; T72-F106 HydrophobicContact CG2-CZ 3.7Å |
| 73 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -69.5 | -48.1 | -177 | -60.2 | 171.9 | 0 | 0 | 0 | 110.6 | H68 I69 A76 L77 M94 F106 A110 I111 V114 | H68-I73 PolarHBondContact O-N 3.1Å; I69-I73 HydrophobicContact CG1-CD1 4.18Å; I69-I73 PolarHBondContact O-N 2.98Å; I73-A76 PolarHBondContact O-N 3.34Å; I73-A76 VanDerWaalsContact O-N 3.17Å; I73-L77 HydrophobicContact CG2-CD1 3.97Å; I73-L77 HydrophobicContact CG2-CG 4.01Å; I73-L77 WeakPolarHBondContact O-CG 3.5Å; I73-L77 PolarHBondContact O-N 3.11Å; I73-M94 HydrophobicContact CG2-CG 3.92Å; I73-M94 HydrophobicContact CG2-SD 3.78Å; I73-F106 HydrophobicContact CD1-CB 4.45Å; I73-F106 HydrophobicContact CD1-CD2 4.01Å; I73-F106 HydrophobicContact CD1-CG 4.36Å; I73-F106 HydrophobicContact CG1-CD2 4.09Å; I73-F106 HydrophobicContact CG1-CE2 4.2Å; I73-A110 HydrophobicContact CD1-CB 4.22Å; I73-I111 HydrophobicContact CD1-CG1 4.45Å; I73-V114 HydrophobicContact CG2-CG1 4.24Å; I73-V114 HydrophobicContact CG2-CG2 4.13Å |
| 74 | A | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53 | -55.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I6 I69 A76 L77 I78 | I6-A74 HydrophobicContact CB-CB 3.7Å; I6-A74 HydrophobicContact CG2-CB 4.05Å; I69-A74 WeakPolarHBondContact O-CB 3.45Å; I69-A74 PolarHBondContact O-N 3.15Å; A74-A76 VanDerWaalsContact C-N 3.3Å; A74-A76 PolarHBondContact O-N 3.41Å; A74-L77 PolarHBondContact O-N 2.83Å; A74-I78 WeakPolarHBondContact O-CB 3.32Å; A74-I78 WeakPolarHBondContact O-CD1 3.27Å; A74-I78 WeakPolarHBondContact O-CG1 3.13Å; A74-I78 PolarHBondContact O-N 3.49Å |
| 75 | P | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 38% | 0.383 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.1 | -33.1 | 179 | 23.8 | -33.3 | 0 | 0 | 0 | 112.9 | T72 S79 | T72-P75 WeakPolarHBondContact O-CD 3.44Å; T72-P75 WeakPolarHBondContact O-CG 3.37Å; P75-S79 WeakPolarHBondContact O-CB 3.25Å; P75-S79 PolarHBondContact O-N 3.47Å; P75-S79 PolarHBondContact O-OG 3Å |
| 76 | A | 98.7 | Very high | 98.6 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 22% | 0.223 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.2 | -48 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | T72 I73 A74 S79 S80 L97 | T72-A76 WeakPolarHBondContact O-CB 3.44Å; T72-A76 PolarHBondContact O-N 3.28Å; I73-A76 PolarHBondContact O-N 3.34Å; I73-A76 VanDerWaalsContact O-N 3.17Å; A74-A76 VanDerWaalsContact C-N 3.3Å; A74-A76 PolarHBondContact O-N 3.41Å; A76-S79 PolarHBondContact O-N 3.12Å; A76-S80 PolarHBondContact O-N 3.38Å; A76-L97 HydrophobicContact CB-CD2 3.78Å |
| 77 | L | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 179.1 | -63.7 | -166.6 | 0 | 0 | 0 | 112.2 | I3 I6 I73 A74 S80 L90 L93 M94 V114 | I3-L77 HydrophobicContact CD1-CB 3.93Å; I3-L77 HydrophobicContact CD1-CD1 4.4Å; I6-L77 HydrophobicContact CD1-CB 4.15Å; I6-L77 HydrophobicContact CD1-CD1 3.91Å; I73-L77 HydrophobicContact CG2-CD1 3.97Å; I73-L77 HydrophobicContact CG2-CG 4.01Å; I73-L77 WeakPolarHBondContact O-CG 3.5Å; I73-L77 PolarHBondContact O-N 3.11Å; A74-L77 PolarHBondContact O-N 2.83Å; L77-S80 WeakPolarHBondContact O-CB 3.41Å; L77-S80 PolarHBondContact O-N 2.9Å; L77-S80 PolarHBondContact O-OG 3.36Å; L77-L90 HydrophobicContact CB-CD2 4.45Å; L77-L90 HydrophobicContact CD1-CD2 4.42Å; L77-L90 HydrophobicContact CD2-CD2 3.92Å; L77-L90 HydrophobicContact CG-CD2 4.5Å; L77-L93 HydrophobicContact CD2-CB 4.3Å; L77-L93 HydrophobicContact CD2-CD2 3.63Å; L77-L93 HydrophobicContact CD2-CG 4Å; L77-M94 HydrophobicContact CD1-CG 4.22Å; L77-M94 HydrophobicContact CD1-SD 4.02Å; L77-M94 HydrophobicContact CD2-CG 3.99Å; L77-M94 HydrophobicContact CG-CG 4.45Å; L77-V114 HydrophobicContact CD1-CG1 3.42Å; L77-V114 VanDerWaalsContact CD1-CG1 3.42Å |
| 78 | I | 98.6 | Very high | 98.6 | Very high | 62 Ų | 62 | 40.5 Ų | 40.5 | 32% | 0.318 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 174.8 | -66.6 | 164.9 | 0 | 0 | 0 | 110.2 | I3 A74 S80 G81 | I3-I78 HydrophobicContact CB-CG1 4.35Å; I3-I78 HydrophobicContact CG2-CG1 3.87Å; A74-I78 WeakPolarHBondContact O-CB 3.32Å; A74-I78 WeakPolarHBondContact O-CD1 3.27Å; A74-I78 WeakPolarHBondContact O-CG1 3.13Å; A74-I78 PolarHBondContact O-N 3.49Å; I78-S80 VanDerWaalsContact C-N 3.26Å; I78-S80 PolarHBondContact O-N 3.22Å; I78-G81 PolarHBondContact O-N 2.76Å |
| 79 | S | 98.3 | Very high | 98.6 | Very high | 104 Ų | 104 | 43.2 Ų | 43.2 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67 | -26.3 | -179.2 | -59.1 | 0 | 0 | 0 | 0 | 113.2 | P75 A76 G81 | P75-S79 WeakPolarHBondContact O-CB 3.25Å; P75-S79 PolarHBondContact O-N 3.47Å; P75-S79 PolarHBondContact O-OG 3Å; A76-S79 PolarHBondContact O-N 3.12Å; S79-G81 PolarHBondContact O-N 3.04Å |
| 80 | S | 98.1 | Very high | 98.6 | Very high | 43 Ų | 43 | 43.2 Ų | 43.2 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -25.9 | 177 | 79.6 | 0 | 0 | 0 | 0 | 113.1 | A76 L77 I78 L82 | A76-S80 PolarHBondContact O-N 3.38Å; L77-S80 WeakPolarHBondContact O-CB 3.41Å; L77-S80 PolarHBondContact O-N 2.9Å; L77-S80 PolarHBondContact O-OG 3.36Å; I78-S80 VanDerWaalsContact C-N 3.26Å; I78-S80 PolarHBondContact O-N 3.22Å; S80-L82 PolarHBondContact O-N 3.47Å; S80-L82 VanDerWaalsContact O-N 3.1Å; S80-L82 WeakPolarHBondContact OG-CB 3.4Å; S80-L82 WeakPolarHBondContact OG-CG 3.48Å; S80-L82 PolarHBondContact OG-N 3.24Å |
| 81 | G | 97.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 9.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I78 S79 | I78-G81 PolarHBondContact O-N 2.76Å; S79-G81 PolarHBondContact O-N 3.04Å |
| 82 | L | 98.3 | Very high | 98.6 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | trans | -65.5 | 145.5 | 179.7 | -69.3 | 171.8 | 0 | 0 | 0 | 111 | S80 K89 L90 L93 | S80-L82 PolarHBondContact O-N 3.47Å; S80-L82 VanDerWaalsContact O-N 3.1Å; S80-L82 WeakPolarHBondContact OG-CB 3.4Å; S80-L82 WeakPolarHBondContact OG-CG 3.48Å; S80-L82 PolarHBondContact OG-N 3.24Å; L82-K89 HydrophobicContact CD1-CB 3.87Å; L82-K89 HydrophobicContact CD2-CB 4.41Å; L82-K89 HydrophobicContact CD2-CD 4.04Å; L82-L90 HydrophobicContact CB-CD2 3.87Å; L82-L90 HydrophobicContact CB-CG 4.19Å; L82-L90 HydrophobicContact CD1-CD2 4.07Å; L82-L90 HydrophobicContact CD1-CG 4.31Å; L82-L93 HydrophobicContact CD1-CD2 4.49Å | ||
| 83 | S | 98.1 | Very high | 98.6 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -75.6 | 141.7 | 173.7 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | M1 V85 E86 L90 | M1-S83 PolarHBondContact N-OG 3.23Å; M1-S83 WeakPolarHBondContact O-CA 3.36Å; S83-V85 PolarHBondContact O-N 3.06Å; S83-V85 WeakPolarHBondContact OG-CG2 3.47Å; S83-E86 WeakPolarHBondContact O-CB 3.44Å; S83-E86 PolarHBondContact O-N 2.88Å; S83-L90 WeakPolarHBondContact O-CD1 3.32Å |
| 84 | V | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.9 | 177.3 | -69 | 0 | 0 | 0 | 0 | 114.7 | M1 I3 L24 T26 E86 V118 A121 E125 | M1-V84 PolarHBondContact O-N 3.02Å; I3-V84 HydrophobicContact CD1-CG1 4.27Å; I3-V84 HydrophobicContact CG1-CG1 3.56Å; L24-V84 HydrophobicContact CD2-CG1 4.04Å; T26-V84 HydrophobicContact CG2-CG1 3.89Å; T26-V84 HydrophobicContact CG2-CG2 4.38Å; V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 3.28Å; V84-V118 WeakPolarHBondContact O-CG1 3.31Å; V84-A121 HydrophobicContact CB-CB 3.92Å; V84-A121 HydrophobicContact CG1-CB 3.93Å; V84-A121 HydrophobicContact CG2-CB 3.98Å; V84-E125 HydrophobicContact CG2-CB 3.89Å; V84-E125 HydrophobicContact CG2-CG 4.28Å |
| 85 | V | 98.4 | Very high | 98.6 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13.2 | 174.3 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | S83 Q87 E125 R126 | S83-V85 PolarHBondContact O-N 3.06Å; S83-V85 WeakPolarHBondContact OG-CG2 3.47Å; V85-Q87 VanDerWaalsContact C-N 3.25Å; V85-Q87 PolarHBondContact O-N 2.89Å; V85-E125 HydrophobicContact CG1-CB 3.77Å; V85-E125 HydrophobicContact CG1-CG 3.53Å; V85-R126 HydrophobicContact CG1-CG 3.84Å; V85-R126 VanDerWaalsContact CG2-NH2 3.33Å |
| 86 | E | 98.5 | Very high | 98.6 | Very high | 68 Ų | 68 | 45.8 Ų | 45.8 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | trans | -90 | 57.6 | -179 | -58 | -77.8 | 155.4 | 0 | 0 | 110 | S83 V84 E88 K89 L90 | S83-E86 WeakPolarHBondContact O-CB 3.44Å; S83-E86 PolarHBondContact O-N 2.88Å; V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 3.28Å; E86-E88 VanDerWaalsContact C-N 3.3Å; E86-E88 PolarHBondContact O-N 3.39Å; E86-K89 HydrophobicContact CB-CB 4.12Å; E86-K89 HydrophobicContact CB-CD 4.2Å; E86-K89 HydrophobicContact CB-CG 4.39Å; E86-K89 HydrophobicContact CG-CD 4.45Å; E86-K89 PolarHBondContact O-N 3.19Å; E86-K89 WeakPolarHBondContact OE2-CD 3.36Å; E86-K89 VanDerWaalsContact OE2-CE 3.26Å; E86-K89 WeakPolarHBondContact OE2-CE 3.47Å; E86-K89 IonicContact OE2-NZ 3.7Å; E86-K89 PolarHBondContact OE2-NZ 2.99Å; E86-L90 PolarHBondContact O-N 3.14Å | ||
| 87 | Q | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -48.4 | -50.8 | -174.3 | -175.6 | 68.6 | 45.8 | 0 | 0 | 111.9 | V85 K89 L90 D91 S115 L137 V350 | V85-Q87 VanDerWaalsContact C-N 3.25Å; V85-Q87 PolarHBondContact O-N 2.89Å; Q87-K89 PolarHBondContact O-N 3.06Å; Q87-L90 PolarHBondContact O-N 3.23Å; Q87-D91 VanDerWaalsContact NE2-CG 3.35Å; Q87-D91 PolarHBondContact NE2-OD1 3.34Å; Q87-D91 PolarHBondContact NE2-OD2 2.95Å; Q87-D91 WeakPolarHBondContact O-CB 3.47Å; Q87-D91 PolarHBondContact O-N 2.64Å; Q87-S115 PolarHBondContact NE2-O 3.34Å; Q87-S115 VanDerWaalsContact NE2-O 3.14Å; Q87-S115 PolarHBondContact NE2-OG 3.33Å; Q87-L137 HydrophobicContact CB-CD1 3.89Å; Q87-L137 HydrophobicContact CB-CD2 3.83Å; Q87-L137 HydrophobicContact CG-CD1 4.01Å; Q87-V350 HydrophobicContact CG-CB 4.42Å; Q87-V350 HydrophobicContact CG-CG1 4.3Å |
| 88 | E | 98.8 | Very high | 98.6 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | -178.9 | 179.4 | 174.7 | -166.7 | 0 | 0 | 112.4 | E86 N92 T351 | E86-E88 VanDerWaalsContact C-N 3.3Å; E86-E88 PolarHBondContact O-N 3.39Å; E88-N92 WeakPolarHBondContact O-CB 3.41Å; E88-N92 PolarHBondContact O-N 2.93Å; E88-N92 PolarHBondContact O-ND2 3.24Å; E88-T351 WeakPolarHBondContact CA-OG1 3.46Å; E88-T351 HydrophobicContact CB-CG2 4.25Å; E88-T351 HydrophobicContact CG-CG2 4.08Å |
| 89 | K | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 48% | 0.478 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 179.3 | -65.2 | -178.1 | -177.7 | 147.5 | 0 | 112 | L82 E86 Q87 L93 | L82-K89 HydrophobicContact CD1-CB 3.87Å; L82-K89 HydrophobicContact CD2-CB 4.41Å; L82-K89 HydrophobicContact CD2-CD 4.04Å; E86-K89 HydrophobicContact CB-CB 4.12Å; E86-K89 HydrophobicContact CB-CD 4.2Å; E86-K89 HydrophobicContact CB-CG 4.39Å; E86-K89 HydrophobicContact CG-CD 4.45Å; E86-K89 PolarHBondContact O-N 3.19Å; E86-K89 WeakPolarHBondContact OE2-CD 3.36Å; E86-K89 VanDerWaalsContact OE2-CE 3.26Å; E86-K89 WeakPolarHBondContact OE2-CE 3.47Å; E86-K89 IonicContact OE2-NZ 3.7Å; E86-K89 PolarHBondContact OE2-NZ 2.99Å; Q87-K89 PolarHBondContact O-N 3.06Å; K89-L93 WeakPolarHBondContact O-CB 3.2Å; K89-L93 PolarHBondContact O-N 3.3Å |
| 90 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.5 | -41.9 | 178.6 | -75.2 | 166.1 | 0 | 0 | 0 | 111.3 | I3 L77 L82 S83 E86 Q87 L93 M94 V118 | I3-L90 HydrophobicContact CD1-CD1 4.37Å; I3-L90 HydrophobicContact CD1-CD2 3.94Å; L77-L90 HydrophobicContact CB-CD2 4.45Å; L77-L90 HydrophobicContact CD1-CD2 4.42Å; L77-L90 HydrophobicContact CD2-CD2 3.92Å; L77-L90 HydrophobicContact CG-CD2 4.5Å; L82-L90 HydrophobicContact CB-CD2 3.87Å; L82-L90 HydrophobicContact CB-CG 4.19Å; L82-L90 HydrophobicContact CD1-CD2 4.07Å; L82-L90 HydrophobicContact CD1-CG 4.31Å; S83-L90 WeakPolarHBondContact O-CD1 3.32Å; E86-L90 PolarHBondContact O-N 3.14Å; Q87-L90 PolarHBondContact O-N 3.23Å; L90-L93 PolarHBondContact O-N 3.21Å; L90-M94 WeakPolarHBondContact O-CG 3.3Å; L90-M94 PolarHBondContact O-N 3.28Å; L90-V118 HydrophobicContact CB-CG1 4.25Å; L90-V118 HydrophobicContact CD1-CB 4.48Å; L90-V118 HydrophobicContact CD1-CG1 3.4Å; L90-V118 HydrophobicContact CD1-CG2 4.18Å; L90-V118 HydrophobicContact CG-CG1 4.45Å |
| 91 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -50 | 173.3 | -75.4 | -23.3 | 0 | 0 | 0 | 110.6 | Q87 L93 M94 L95 S115 T351 | Q87-D91 VanDerWaalsContact NE2-CG 3.35Å; Q87-D91 PolarHBondContact NE2-OD1 3.34Å; Q87-D91 PolarHBondContact NE2-OD2 2.95Å; Q87-D91 WeakPolarHBondContact O-CB 3.47Å; Q87-D91 PolarHBondContact O-N 2.64Å; D91-L93 VanDerWaalsContact C-N 3.27Å; D91-L93 PolarHBondContact O-N 2.96Å; D91-M94 WeakPolarHBondContact O-CA 3.36Å; D91-M94 WeakPolarHBondContact O-CB 3.2Å; D91-M94 PolarHBondContact O-N 3.36Å; D91-M94 VanDerWaalsContact OD1-CE 3.23Å; D91-M94 WeakPolarHBondContact OD1-CE 3.19Å; D91-L95 VanDerWaalsContact O-CG 3.29Å; D91-L95 WeakPolarHBondContact O-CG 3.46Å; D91-L95 PolarHBondContact O-N 3.32Å; D91-S115 VanDerWaalsContact CG-OG 3.26Å; D91-S115 WeakPolarHBondContact OD1-CB 3.39Å; D91-S115 PolarHBondContact OD1-OG 3.1Å; D91-S115 PolarHBondContact OD2-OG 2.98Å; D91-T351 WeakPolarHBondContact OD2-CB 3.34Å; D91-T351 PolarHBondContact OD2-N 3.42Å; D91-T351 PolarHBondContact OD2-OG1 2.95Å |
| 92 | N | 98.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.2 | -40.1 | 178.3 | -71.9 | -16.4 | 0 | 0 | 0 | 112.3 | E88 M94 L95 E96 | E88-N92 WeakPolarHBondContact O-CB 3.41Å; E88-N92 PolarHBondContact O-N 2.93Å; E88-N92 PolarHBondContact O-ND2 3.24Å; N92-M94 VanDerWaalsContact C-N 3.33Å; N92-M94 PolarHBondContact O-N 2.95Å; N92-L95 PolarHBondContact O-N 3.3Å; N92-E96 WeakPolarHBondContact O-CB 3.23Å; N92-E96 VanDerWaalsContact O-CG 3.3Å; N92-E96 WeakPolarHBondContact O-CG 3.4Å; N92-E96 PolarHBondContact O-N 2.62Å |
| 93 | L | 98.8 | Very high | 98.3 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 175 | -179.7 | 57.4 | 0 | 0 | 0 | 112.2 | L77 L82 K89 L90 D91 L97 | L77-L93 HydrophobicContact CD2-CB 4.3Å; L77-L93 HydrophobicContact CD2-CD2 3.63Å; L77-L93 HydrophobicContact CD2-CG 4Å; L82-L93 HydrophobicContact CD1-CD2 4.49Å; K89-L93 WeakPolarHBondContact O-CB 3.2Å; K89-L93 PolarHBondContact O-N 3.3Å; L90-L93 PolarHBondContact O-N 3.21Å; D91-L93 VanDerWaalsContact C-N 3.27Å; D91-L93 PolarHBondContact O-N 2.96Å; L93-L97 WeakPolarHBondContact O-CB 3.41Å; L93-L97 PolarHBondContact O-N 2.86Å |
| 94 | M | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69 | -40.3 | 175.6 | -65.6 | -172.7 | -70.4 | 0 | 0 | 112.3 | I73 L77 L90 D91 N92 L97 D98 I111 V114 | I73-M94 HydrophobicContact CG2-CG 3.92Å; I73-M94 HydrophobicContact CG2-SD 3.78Å; L77-M94 HydrophobicContact CD1-CG 4.22Å; L77-M94 HydrophobicContact CD1-SD 4.02Å; L77-M94 HydrophobicContact CD2-CG 3.99Å; L77-M94 HydrophobicContact CG-CG 4.45Å; L90-M94 WeakPolarHBondContact O-CG 3.3Å; L90-M94 PolarHBondContact O-N 3.28Å; D91-M94 WeakPolarHBondContact O-CA 3.36Å; D91-M94 WeakPolarHBondContact O-CB 3.2Å; D91-M94 PolarHBondContact O-N 3.36Å; D91-M94 VanDerWaalsContact OD1-CE 3.23Å; D91-M94 WeakPolarHBondContact OD1-CE 3.19Å; N92-M94 VanDerWaalsContact C-N 3.33Å; N92-M94 PolarHBondContact O-N 2.95Å; M94-L97 PolarHBondContact O-N 3.41Å; M94-D98 WeakPolarHBondContact O-CB 3.35Å; M94-D98 PolarHBondContact O-N 2.85Å; M94-I111 HydrophobicContact CB-CG2 3.91Å; M94-I111 HydrophobicContact CE-CG2 3.98Å; M94-I111 HydrophobicContact SD-CG2 4.14Å; M94-V114 HydrophobicContact CE-CB 4.45Å; M94-V114 HydrophobicContact CE-CG1 4.36Å; M94-V114 HydrophobicContact SD-CB 3.71Å; M94-V114 HydrophobicContact SD-CG1 3.63Å |
| 95 | L | 98.8 | Very high | 98.2 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 177.5 | -64.6 | 175.5 | 0 | 0 | 0 | 111.6 | D91 N92 D98 G99 K103 E352 | D91-L95 VanDerWaalsContact O-CG 3.29Å; D91-L95 WeakPolarHBondContact O-CG 3.46Å; D91-L95 PolarHBondContact O-N 3.32Å; N92-L95 PolarHBondContact O-N 3.3Å; L95-D98 PolarHBondContact O-N 3.28Å; L95-G99 PolarHBondContact O-N 2.68Å; L95-K103 HydrophobicContact CD2-CD 4.37Å; L95-E352 HydrophobicContact CD1-CG 4.19Å; L95-E352 WeakPolarHBondContact CD2-OE2 3.27Å |
| 96 | E | 98.8 | Very high | 98.2 | Very high | 150 Ų | 150 | 54.1 Ų | 54.1 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66 | -38.1 | 176.1 | -72.6 | 175.3 | -170.2 | 0 | 0 | 112 | N92 G99 | N92-E96 WeakPolarHBondContact O-CB 3.23Å; N92-E96 VanDerWaalsContact O-CG 3.3Å; N92-E96 WeakPolarHBondContact O-CG 3.4Å; N92-E96 PolarHBondContact O-N 2.62Å; E96-G99 PolarHBondContact O-N 3.36Å |
| 97 | L | 98.5 | Very high | 98.2 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 179.2 | -171.1 | 67.5 | 0 | 0 | 0 | 112.2 | T72 A76 L93 M94 K105 F106 | T72-L97 HydrophobicContact CG2-CD2 4.11Å; A76-L97 HydrophobicContact CB-CD2 3.78Å; L93-L97 WeakPolarHBondContact O-CB 3.41Å; L93-L97 PolarHBondContact O-N 2.86Å; M94-L97 PolarHBondContact O-N 3.41Å; L97-K105 PolarHBondContact O-NZ 3.22Å; L97-F106 VanDerWaalsContact C-CE2 3.49Å; L97-F106 HydrophobicContact CB-CE2 3.98Å; L97-F106 HydrophobicContact CD2-CE2 3.92Å; L97-F106 HydrophobicContact CD2-CZ 4.12Å; L97-F106 HydrophobicContact CG-CE2 3.67Å; L97-F106 HydrophobicContact CG-CZ 3.78Å; L97-F106 WeakPolarHBondContact O-CZ 3.23Å |
| 98 | D | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.5 | -53.5 | 168.6 | -178.6 | -79.3 | 0 | 0 | 0 | 110.2 | M94 L95 T100 K103 K105 F106 I111 | M94-D98 WeakPolarHBondContact O-CB 3.35Å; M94-D98 PolarHBondContact O-N 2.85Å; L95-D98 PolarHBondContact O-N 3.28Å; D98-T100 VanDerWaalsContact C-N 3.27Å; D98-T100 PolarHBondContact O-N 3.02Å; D98-T100 WeakPolarHBondContact OD1-CB 3.41Å; D98-T100 PolarHBondContact OD1-N 2.99Å; D98-T100 PolarHBondContact OD1-OG1 3.32Å; D98-K103 WeakPolarHBondContact OD1-CA 3.02Å; D98-K105 WeakPolarHBondContact O-CD 3.38Å; D98-K105 WeakPolarHBondContact OD2-CB 3.38Å; D98-K105 PolarHBondContact OD2-N 3.15Å; D98-F106 HydrophobicContact CB-CD2 3.71Å; D98-F106 HydrophobicContact CB-CE2 4.05Å; D98-F106 HydrophobicContact CB-CG 4.42Å; D98-F106 PolarHBondContact OD2-N 3.11Å; D98-I111 HydrophobicContact CB-CD1 3.86Å |
| 99 | G | 98.3 | Very high | 98.2 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 64% | 0.639 | 24% | 0.244 | S | C | * | . | trans | 73.2 | 12.8 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | L95 E96 | L95-G99 PolarHBondContact O-N 2.68Å; E96-G99 PolarHBondContact O-N 3.36Å | ||
| 100 | T | 98.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -116.9 | 150.6 | 177.1 | 75.3 | 0 | 0 | 0 | 0 | 111.6 | D98 N102 K103 S104 K105 | D98-T100 VanDerWaalsContact C-N 3.27Å; D98-T100 PolarHBondContact O-N 3.02Å; D98-T100 WeakPolarHBondContact OD1-CB 3.41Å; D98-T100 PolarHBondContact OD1-N 2.99Å; D98-T100 PolarHBondContact OD1-OG1 3.32Å; T100-N102 VanDerWaalsContact C-N 3.32Å; T100-N102 PolarHBondContact O-N 2.81Å; T100-K103 PolarHBondContact O-N 2.88Å; T100-K103 VanDerWaalsContact OG1-CA 3.31Å; T100-K103 WeakPolarHBondContact OG1-CA 3.33Å; T100-K103 PolarHBondContact OG1-N 3.35Å; T100-K103 VanDerWaalsContact OG1-N 3.12Å; T100-S104 PolarHBondContact OG1-N 2.67Å; T100-S104 PolarHBondContact OG1-OG 3.11Å; T100-K105 HydrophobicContact CG2-CB 4.02Å |
| 101 | E | 94.8 | Very high | 98.2 | Very high | 148 Ų | 148 | 40.4 Ų | 40.4 | 69% | 0.692 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -36.8 | -177.1 | -177.7 | 167.7 | -156.4 | 0 | 0 | 113.1 | K326 | E101-K326 IonicContact OE1-NZ 3.69Å; E101-K326 PolarHBondContact OE1-NZ 3.43Å |
| 102 | N | 94.8 | Very high | 98.2 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 18.6 | -176.4 | 68.4 | -23.8 | 0 | 0 | 0 | 113.3 | L47 T100 S104 | L47-N102 PolarHBondContact N-O 3.32Å; T100-N102 VanDerWaalsContact C-N 3.32Å; T100-N102 PolarHBondContact O-N 2.81Å; N102-S104 PolarHBondContact O-N 3.08Å; N102-S104 WeakPolarHBondContact OD1-CB 3.45Å; N102-S104 PolarHBondContact OD1-OG 2.81Å |
| 103 | K | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | trans | 58.2 | 31.3 | 178.8 | -57.7 | 170.8 | 170.4 | 67.4 | 0 | 113.4 | A46 L95 D98 T100 K105 G107 A108 I111 I347 E352 | A46-K103 HydrophobicContact CB-CD 4.17Å; L95-K103 HydrophobicContact CD2-CD 4.37Å; D98-K103 WeakPolarHBondContact OD1-CA 3.02Å; T100-K103 PolarHBondContact O-N 2.88Å; T100-K103 VanDerWaalsContact OG1-CA 3.31Å; T100-K103 WeakPolarHBondContact OG1-CA 3.33Å; T100-K103 PolarHBondContact OG1-N 3.35Å; T100-K103 VanDerWaalsContact OG1-N 3.12Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 2.92Å; K103-G107 CarbonylContact O-C 3.49Å; K103-G107 WeakPolarHBondContact O-CA 3.5Å; K103-G107 PolarHBondContact O-N 3.37Å; K103-A108 HydrophobicContact CB-CB 4.22Å; K103-A108 HydrophobicContact CD-CB 4.02Å; K103-I111 HydrophobicContact CB-CD1 3.97Å; K103-I111 HydrophobicContact CD-CD1 4.01Å; K103-I111 HydrophobicContact CG-CD1 3.85Å; K103-I347 VanDerWaalsContact CD-O 3.27Å; K103-I347 WeakPolarHBondContact CD-O 3.5Å; K103-I347 WeakPolarHBondContact CE-O 3.41Å; K103-I347 PolarHBondContact NZ-O 2.88Å; K103-E352 WeakPolarHBondContact CE-OE2 3.23Å; K103-E352 IonicContact NZ-OE1 2.65Å; K103-E352 PolarHBondContact NZ-OE1 2.98Å; K103-E352 IonicContact NZ-OE2 2.77Å; K103-E352 PolarHBondContact NZ-OE2 2.99Å | ||
| 104 | S | 97.8 | Very high | 98.2 | Very high | 47 Ų | 47 | 35.5 Ų | 35.5 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13 | -172.1 | 52 | 0 | 0 | 0 | 0 | 114.7 | T100 N102 | T100-S104 PolarHBondContact OG1-N 2.67Å; T100-S104 PolarHBondContact OG1-OG 3.11Å; N102-S104 PolarHBondContact O-N 3.08Å; N102-S104 WeakPolarHBondContact OD1-CB 3.45Å; N102-S104 PolarHBondContact OD1-OG 2.81Å |
| 105 | K | 98.3 | Very high | 98.2 | Very high | 107 Ų | 107 | 35.5 Ų | 35.5 | 47% | 0.465 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -45.9 | 177.6 | -178.2 | -173.1 | 176 | -172.1 | 0 | 111.5 | H68 L97 D98 T100 K103 | H68-K105 PolarHBondContact NE2-O 2.9Å; L97-K105 PolarHBondContact O-NZ 3.22Å; D98-K105 WeakPolarHBondContact O-CD 3.38Å; D98-K105 WeakPolarHBondContact OD2-CB 3.38Å; D98-K105 PolarHBondContact OD2-N 3.15Å; T100-K105 HydrophobicContact CG2-CB 4.02Å; K103-K105 VanDerWaalsContact C-N 3.32Å; K103-K105 PolarHBondContact O-N 2.92Å |
| 106 | F | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -23.6 | 179 | -60.9 | -31.3 | 0 | 0 | 0 | 113.7 | L49 H68 T72 I73 L97 D98 A110 I111 | L49-F106 WeakPolarHBondContact CD2-O 3.43Å; H68-F106 HydrophobicContact CB-CB 4.3Å; H68-F106 HydrophobicContact CB-CD1 4Å; H68-F106 HydrophobicContact CB-CG 4.38Å; H68-F106 AromaticContact CG-CD1 3.79Å; H68-F106 AromaticContact ND1-CD1 3.79Å; T72-F106 HydrophobicContact CG2-CE1 3.95Å; T72-F106 HydrophobicContact CG2-CZ 3.7Å; I73-F106 HydrophobicContact CD1-CB 4.45Å; I73-F106 HydrophobicContact CD1-CD2 4.01Å; I73-F106 HydrophobicContact CD1-CG 4.36Å; I73-F106 HydrophobicContact CG1-CD2 4.09Å; I73-F106 HydrophobicContact CG1-CE2 4.2Å; L97-F106 VanDerWaalsContact C-CE2 3.49Å; L97-F106 HydrophobicContact CB-CE2 3.98Å; L97-F106 HydrophobicContact CD2-CE2 3.92Å; L97-F106 HydrophobicContact CD2-CZ 4.12Å; L97-F106 HydrophobicContact CG-CE2 3.67Å; L97-F106 HydrophobicContact CG-CZ 3.78Å; L97-F106 WeakPolarHBondContact O-CZ 3.23Å; D98-F106 HydrophobicContact CB-CD2 3.71Å; D98-F106 HydrophobicContact CB-CE2 4.05Å; D98-F106 HydrophobicContact CB-CG 4.42Å; D98-F106 PolarHBondContact OD2-N 3.11Å; F106-A110 HydrophobicContact CB-CB 4.12Å; F106-A110 VanDerWaalsContact O-CB 3.23Å; F106-A110 WeakPolarHBondContact O-CB 3.49Å; F106-I111 HydrophobicContact CB-CG1 4.43Å |
| 107 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | 88.4 | 135.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L47 K103 N109 A110 I111 | L47-G107 CarbonylContact O-C 3.52Å; L47-G107 WeakPolarHBondContact O-CA 3.49Å; K103-G107 CarbonylContact O-C 3.49Å; K103-G107 WeakPolarHBondContact O-CA 3.5Å; K103-G107 PolarHBondContact O-N 3.37Å; G107-N109 WeakPolarHBondContact CA-OD1 3.39Å; G107-N109 PolarHBondContact O-N 3.14Å; G107-A110 WeakPolarHBondContact O-CB 3.5Å; G107-A110 PolarHBondContact O-N 3.19Å; G107-I111 PolarHBondContact O-N 2.88Å | ||
| 108 | A | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -32.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A46 L47 K103 A110 I111 L112 | A46-A108 HydrophobicContact CB-CB 3.59Å; L47-A108 WeakPolarHBondContact O-CB 3.45Å; L47-A108 PolarHBondContact O-N 3.25Å; K103-A108 HydrophobicContact CB-CB 4.22Å; K103-A108 HydrophobicContact CD-CB 4.02Å; A108-A110 VanDerWaalsContact C-N 3.31Å; A108-A110 PolarHBondContact O-N 3.38Å; A108-I111 PolarHBondContact O-N 3.13Å; A108-L112 WeakPolarHBondContact O-CB 3.26Å; A108-L112 PolarHBondContact O-N 3.07Å |
| 109 | N | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.6 | -28.4 | 173.3 | 56.6 | -25.5 | 0 | 0 | 0 | 113.7 | V20 V35 E48 L49 G107 | V20-N109 HydrophobicContact CG2-CB 4.3Å; V35-N109 HydrophobicContact CG1-CB 3.91Å; V35-N109 WeakPolarHBondContact CG2-O 3.45Å; E48-N109 HydrophobicContact CG-CB 4.17Å; L49-N109 PolarHBondContact N-OD1 3.4Å; L49-N109 PolarHBondContact O-ND2 3.46Å; G107-N109 WeakPolarHBondContact CA-OD1 3.39Å; G107-N109 PolarHBondContact O-N 3.14Å |
| 110 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72 | -49.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A65 I69 I73 F106 G107 A108 | A65-A110 HydrophobicContact CB-CB 4.21Å; I69-A110 HydrophobicContact CD1-CB 4.16Å; I69-A110 WeakPolarHBondContact CD1-O 3.17Å; I69-A110 HydrophobicContact CG1-CB 3.84Å; I69-A110 WeakPolarHBondContact CG1-O 3.34Å; I73-A110 HydrophobicContact CD1-CB 4.22Å; F106-A110 HydrophobicContact CB-CB 4.12Å; F106-A110 VanDerWaalsContact O-CB 3.23Å; F106-A110 WeakPolarHBondContact O-CB 3.49Å; G107-A110 WeakPolarHBondContact O-CB 3.5Å; G107-A110 PolarHBondContact O-N 3.19Å; A108-A110 VanDerWaalsContact C-N 3.31Å; A108-A110 PolarHBondContact O-N 3.38Å |
| 111 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | -177 | -61.9 | 173.9 | 0 | 0 | 0 | 110.6 | I73 M94 D98 K103 F106 G107 A108 G113 V114 S115 G348 | I73-I111 HydrophobicContact CD1-CG1 4.45Å; M94-I111 HydrophobicContact CB-CG2 3.91Å; M94-I111 HydrophobicContact CE-CG2 3.98Å; M94-I111 HydrophobicContact SD-CG2 4.14Å; D98-I111 HydrophobicContact CB-CD1 3.86Å; K103-I111 HydrophobicContact CB-CD1 3.97Å; K103-I111 HydrophobicContact CD-CD1 4.01Å; K103-I111 HydrophobicContact CG-CD1 3.85Å; F106-I111 HydrophobicContact CB-CG1 4.43Å; G107-I111 PolarHBondContact O-N 2.88Å; A108-I111 PolarHBondContact O-N 3.13Å; I111-G113 PolarHBondContact O-N 2.89Å; I111-V114 PolarHBondContact O-N 2.87Å; I111-S115 WeakPolarHBondContact O-CB 3.39Å; I111-S115 PolarHBondContact O-N 3.47Å; I111-G348 WeakPolarHBondContact CG2-O 3.4Å |
| 112 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | -175.4 | -175.7 | 66.9 | 0 | 0 | 0 | 112.2 | V35 A108 V114 S115 L116 V344 N345 G348 | V35-L112 HydrophobicContact CG1-CD2 3.94Å; V35-L112 HydrophobicContact CG2-CB 4.43Å; A108-L112 WeakPolarHBondContact O-CB 3.26Å; A108-L112 PolarHBondContact O-N 3.07Å; L112-V114 PolarHBondContact O-N 3.28Å; L112-S115 WeakPolarHBondContact O-CB 3.33Å; L112-S115 PolarHBondContact O-N 3.43Å; L112-S115 VanDerWaalsContact O-N 3.12Å; L112-L116 HydrophobicContact CD1-CD1 4.25Å; L112-L116 HydrophobicContact CD1-CD2 4.22Å; L112-L116 HydrophobicContact CD1-CG 3.98Å; L112-L116 HydrophobicContact CD2-CD1 4.26Å; L112-L116 HydrophobicContact CG-CD1 3.82Å; L112-L116 HydrophobicContact CG-CG 4.03Å; L112-L116 VanDerWaalsContact O-CG 3.24Å; L112-L116 WeakPolarHBondContact O-CG 3.34Å; L112-L116 PolarHBondContact O-N 3.36Å; L112-V344 HydrophobicContact CD1-CB 4.09Å; L112-V344 HydrophobicContact CD1-CG2 4.34Å; L112-V344 HydrophobicContact CD2-CG2 4.08Å; L112-N345 VanDerWaalsContact CD2-CA 3.44Å; L112-N345 HydrophobicContact CD2-CB 3.4Å; L112-G348 WeakPolarHBondContact CA-O 3.27Å; L112-G348 PolarHBondContact N-O 3.42Å |
| 113 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.2 | -41.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | V35 I111 A117 | V35-G113 VanDerWaalsContact CG2-CA 3.47Å; I111-G113 PolarHBondContact O-N 2.89Å; G113-A117 WeakPolarHBondContact O-CB 3.41Å; G113-A117 PolarHBondContact O-N 3.4Å |
| 114 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -70.5 | -45.1 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 111 | I6 V22 I69 I73 L77 M94 I111 L112 L116 A117 V118 | I6-V114 HydrophobicContact CD1-CG1 4.05Å; I6-V114 HydrophobicContact CG2-CG2 4.4Å; V22-V114 HydrophobicContact CG1-CG2 4.1Å; V22-V114 HydrophobicContact CG2-CG2 4.22Å; I69-V114 HydrophobicContact CB-CG2 4.45Å; I69-V114 HydrophobicContact CD1-CG2 4.39Å; I69-V114 HydrophobicContact CG1-CG2 4.03Å; I69-V114 HydrophobicContact CG2-CG2 3.62Å; I73-V114 HydrophobicContact CG2-CG1 4.24Å; I73-V114 HydrophobicContact CG2-CG2 4.13Å; L77-V114 HydrophobicContact CD1-CG1 3.42Å; L77-V114 VanDerWaalsContact CD1-CG1 3.42Å; M94-V114 HydrophobicContact CE-CB 4.45Å; M94-V114 HydrophobicContact CE-CG1 4.36Å; M94-V114 HydrophobicContact SD-CB 3.71Å; M94-V114 HydrophobicContact SD-CG1 3.63Å; I111-V114 PolarHBondContact O-N 2.87Å; L112-V114 PolarHBondContact O-N 3.28Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.23Å; V114-A117 PolarHBondContact O-N 3.25Å; V114-V118 HydrophobicContact CG1-CG2 4.23Å; V114-V118 WeakPolarHBondContact O-CB 3.29Å; V114-V118 VanDerWaalsContact O-CG2 3.31Å; V114-V118 WeakPolarHBondContact O-CG2 3.47Å; V114-V118 PolarHBondContact O-N 2.87Å |
| 115 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -55.3 | -44.6 | 178.9 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | Q87 D91 I111 L112 C119 V350 | Q87-S115 PolarHBondContact NE2-O 3.34Å; Q87-S115 VanDerWaalsContact NE2-O 3.14Å; Q87-S115 PolarHBondContact NE2-OG 3.33Å; D91-S115 VanDerWaalsContact CG-OG 3.26Å; D91-S115 WeakPolarHBondContact OD1-CB 3.39Å; D91-S115 PolarHBondContact OD1-OG 3.1Å; D91-S115 PolarHBondContact OD2-OG 2.98Å; I111-S115 WeakPolarHBondContact O-CB 3.39Å; I111-S115 PolarHBondContact O-N 3.47Å; L112-S115 WeakPolarHBondContact O-CB 3.33Å; L112-S115 PolarHBondContact O-N 3.43Å; L112-S115 VanDerWaalsContact O-N 3.12Å; S115-C119 PolarHBondContact O-N 3.11Å; S115-V350 WeakPolarHBondContact OG-CG2 3.48Å; S115-V350 PolarHBondContact OG-N 2.88Å |
| 116 | L | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.6 | -43.4 | 177.1 | -63.7 | 171.5 | 0 | 0 | 0 | 111.9 | A33 L112 V114 V118 C119 K120 V350 F380 | A33-L116 HydrophobicContact CB-CB 3.39Å; A33-L116 HydrophobicContact CB-CD1 4.32Å; L112-L116 HydrophobicContact CD1-CD1 4.25Å; L112-L116 HydrophobicContact CD1-CD2 4.22Å; L112-L116 HydrophobicContact CD1-CG 3.98Å; L112-L116 HydrophobicContact CD2-CD1 4.26Å; L112-L116 HydrophobicContact CG-CD1 3.82Å; L112-L116 HydrophobicContact CG-CG 4.03Å; L112-L116 VanDerWaalsContact O-CG 3.24Å; L112-L116 WeakPolarHBondContact O-CG 3.34Å; L112-L116 PolarHBondContact O-N 3.36Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.23Å; L116-V118 VanDerWaalsContact C-N 3.33Å; L116-C119 PolarHBondContact O-N 2.81Å; L116-K120 WeakPolarHBondContact O-CG 3.45Å; L116-K120 PolarHBondContact O-N 3.14Å; L116-V350 HydrophobicContact CD2-CG2 3.66Å; L116-V350 HydrophobicContact CG-CG2 4.38Å; L116-F380 HydrophobicContact CB-CD2 4.4Å; L116-F380 HydrophobicContact CB-CE2 4.48Å; L116-F380 HydrophobicContact CD2-CB 4.44Å; L116-F380 HydrophobicContact CD2-CD1 3.41Å; L116-F380 VanDerWaalsContact CD2-CD1 3.41Å; L116-F380 HydrophobicContact CD2-CD2 3.69Å; L116-F380 HydrophobicContact CD2-CE1 3.36Å; L116-F380 HydrophobicContact CD2-CE2 3.66Å; L116-F380 HydrophobicContact CD2-CG 3.58Å; L116-F380 HydrophobicContact CD2-CZ 3.5Å; L116-F380 VanDerWaalsContact CD2-CZ 3.5Å |
| 117 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66 | -36.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | V22 L24 A33 G113 V114 K120 A121 | V22-A117 HydrophobicContact CB-CB 4.43Å; V22-A117 HydrophobicContact CG1-CB 4.2Å; L24-A117 HydrophobicContact CB-CB 3.88Å; A33-A117 HydrophobicContact CB-CB 4.14Å; G113-A117 WeakPolarHBondContact O-CB 3.41Å; G113-A117 PolarHBondContact O-N 3.4Å; V114-A117 PolarHBondContact O-N 3.25Å; A117-K120 PolarHBondContact O-N 3.25Å; A117-A121 WeakPolarHBondContact O-CB 3.28Å; A117-A121 PolarHBondContact O-N 2.72Å |
| 118 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 170.3 | 166.1 | 0 | 0 | 0 | 0 | 110.3 | L24 V84 L90 V114 L116 K120 A121 G122 | L24-V118 HydrophobicContact CD1-CB 4.38Å; L24-V118 HydrophobicContact CD1-CG2 3.47Å; L24-V118 VanDerWaalsContact CD1-CG2 3.47Å; V84-V118 WeakPolarHBondContact O-CG1 3.31Å; L90-V118 HydrophobicContact CB-CG1 4.25Å; L90-V118 HydrophobicContact CD1-CB 4.48Å; L90-V118 HydrophobicContact CD1-CG1 3.4Å; L90-V118 HydrophobicContact CD1-CG2 4.18Å; L90-V118 HydrophobicContact CG-CG1 4.45Å; V114-V118 HydrophobicContact CG1-CG2 4.23Å; V114-V118 WeakPolarHBondContact O-CB 3.29Å; V114-V118 VanDerWaalsContact O-CG2 3.31Å; V114-V118 WeakPolarHBondContact O-CG2 3.47Å; V114-V118 PolarHBondContact O-N 2.87Å; L116-V118 VanDerWaalsContact C-N 3.33Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 2.95Å; V118-A121 CarbonylContact O-C 3.18Å; V118-A121 WeakPolarHBondContact O-CB 3.28Å; V118-A121 PolarHBondContact O-N 2.96Å; V118-A121 VanDerWaalsContact O-N 3.12Å; V118-G122 PolarHBondContact O-N 2.8Å |
| 119 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | -179.6 | -169 | 0 | 0 | 0 | 0 | 112 | S115 L116 A121 G122 A123 H133 V350 F380 | S115-C119 PolarHBondContact O-N 3.11Å; L116-C119 PolarHBondContact O-N 2.81Å; C119-A121 PolarHBondContact O-N 2.8Å; C119-G122 PolarHBondContact O-N 2.79Å; C119-A123 PolarHBondContact O-N 2.82Å; C119-H133 PolarHBondContact O-CD2 3.44Å; C119-V350 HydrophobicContact CB-CG2 4.45Å; C119-F380 HydrophobicContact CB-CE2 3.91Å; C119-F380 HydrophobicContact CB-CZ 4.29Å |
| 120 | K | 98.9 | Very high | 98.8 | Very high | 39 Ų | 39 | 23.8 Ų | 23.8 | 17% | 0.17 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.3 | -69.1 | 179.9 | -172.1 | -174.4 | 0 | 112.4 | F31 R32 L116 A117 V118 A123 A124 L130 D378 | F31-K120 HydrophobicContact CB-CB 4.14Å; F31-K120 HydrophobicContact CD1-CB 4.29Å; R32-K120 WeakPolarHBondContact O-CD 3.16Å; R32-K120 WeakPolarHBondContact O-CE 3.46Å; R32-K120 PolarHBondContact O-NZ 2.87Å; L116-K120 WeakPolarHBondContact O-CG 3.45Å; L116-K120 PolarHBondContact O-N 3.14Å; A117-K120 PolarHBondContact O-N 3.25Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 2.95Å; K120-A123 PolarHBondContact O-N 3.09Å; K120-A124 PolarHBondContact O-N 3.17Å; K120-L130 HydrophobicContact CG-CD1 4.31Å; K120-L130 HydrophobicContact CG-CD2 4Å; K120-D378 IonicContact NZ-OD1 2.71Å; K120-D378 PolarHBondContact NZ-OD1 2.81Å; K120-D378 IonicContact NZ-OD2 3.69Å; K120-D378 PolarHBondContact NZ-OD2 2.78Å |
| 121 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -37.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L24 T26 F31 V84 A117 V118 C119 A123 A124 E125 | L24-A121 HydrophobicContact CD2-CB 3.75Å; T26-A121 HydrophobicContact CG2-CB 4.2Å; F31-A121 HydrophobicContact CB-CB 4.07Å; F31-A121 HydrophobicContact CD1-CB 4.24Å; F31-A121 HydrophobicContact CD2-CB 3.36Å; F31-A121 HydrophobicContact CE2-CB 3.86Å; F31-A121 HydrophobicContact CG-CB 3.58Å; F31-A121 HydrophobicContact CZ-CB 4.48Å; V84-A121 HydrophobicContact CB-CB 3.92Å; V84-A121 HydrophobicContact CG1-CB 3.93Å; V84-A121 HydrophobicContact CG2-CB 3.98Å; A117-A121 WeakPolarHBondContact O-CB 3.28Å; A117-A121 PolarHBondContact O-N 2.72Å; V118-A121 CarbonylContact O-C 3.18Å; V118-A121 WeakPolarHBondContact O-CB 3.28Å; V118-A121 PolarHBondContact O-N 2.96Å; V118-A121 VanDerWaalsContact O-N 3.12Å; C119-A121 PolarHBondContact O-N 2.8Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A121-A124 PolarHBondContact O-N 2.92Å; A121-E125 WeakPolarHBondContact O-CB 3.43Å; A121-E125 PolarHBondContact O-N 3.16Å |
| 122 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V118 C119 E125 R126 | V118-G122 PolarHBondContact O-N 2.8Å; C119-G122 PolarHBondContact O-N 2.79Å; G122-E125 PolarHBondContact O-N 3.26Å; G122-R126 VanDerWaalsContact O-CG 3.31Å; G122-R126 WeakPolarHBondContact O-CG 3.22Å; G122-R126 PolarHBondContact O-N 2.83Å |
| 123 | A | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | C119 K120 A121 E125 R126 E127 L128 L130 H133 | C119-A123 PolarHBondContact O-N 2.82Å; K120-A123 PolarHBondContact O-N 3.09Å; A121-A123 VanDerWaalsContact C-N 3.34Å; A123-E125 PolarHBondContact O-N 3.5Å; A123-R126 CarbonylContact O-C 3.51Å; A123-R126 PolarHBondContact O-N 3.03Å; A123-R126 VanDerWaalsContact O-N 3.14Å; A123-E127 PolarHBondContact O-N 3.19Å; A123-L128 CarbonylContact C-O 3.46Å; A123-L128 PolarHBondContact O-N 2.85Å; A123-L130 HydrophobicContact CB-CB 4.34Å; A123-L130 HydrophobicContact CB-CD1 4.11Å; A123-H133 HydrophobicContact CB-CB 3.54Å; A123-H133 PolarHBondContact N-CD2 3.29Å; A123-H133 VanDerWaalsContact N-CD2 3.27Å |
| 124 | A | 98.8 | Very high | 98.8 | Very high | 31 Ų | 31 | 27.5 Ų | 27.5 | 26% | 0.256 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.9 | -33.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F31 K120 A121 R126 E127 | F31-A124 HydrophobicContact CD1-CB 4.33Å; F31-A124 HydrophobicContact CE1-CB 3.22Å; F31-A124 HydrophobicContact CZ-CB 3.4Å; F31-A124 VanDerWaalsContact CZ-CB 3.4Å; K120-A124 PolarHBondContact O-N 3.17Å; A121-A124 PolarHBondContact O-N 2.92Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 3.23Å; A124-E127 PolarHBondContact O-N 2.89Å; A124-E127 VanDerWaalsContact O-N 3.13Å |
| 125 | E | 98.6 | Very high | 98.8 | Very high | 40 Ų | 40 | 27.7 Ų | 27.7 | 19% | 0.187 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -35.7 | 171.7 | -178.8 | 66.8 | -173.8 | 0 | 0 | 111.7 | M1 V84 V85 A121 G122 A123 E127 | M1-E125 WeakPolarHBondContact CB-OE2 3.46Å; M1-E125 VanDerWaalsContact CE-CD 3.47Å; M1-E125 VanDerWaalsContact CE-OE1 3.31Å; M1-E125 WeakPolarHBondContact CE-OE1 3.03Å; M1-E125 WeakPolarHBondContact CE-OE2 3.31Å; M1-E125 VanDerWaalsContact CG-OE1 3.27Å; M1-E125 WeakPolarHBondContact CG-OE1 3.35Å; M1-E125 PolarHBondContact N-OE1 3.39Å; V84-E125 HydrophobicContact CG2-CB 3.89Å; V84-E125 HydrophobicContact CG2-CG 4.28Å; V85-E125 HydrophobicContact CG1-CB 3.77Å; V85-E125 HydrophobicContact CG1-CG 3.53Å; A121-E125 WeakPolarHBondContact O-CB 3.43Å; A121-E125 PolarHBondContact O-N 3.16Å; G122-E125 PolarHBondContact O-N 3.26Å; A123-E125 PolarHBondContact O-N 3.5Å; E125-E127 VanDerWaalsContact C-N 3.27Å |
| 126 | R | 98.3 | Very high | 98.8 | Very high | 126 Ų | 126 | 33 Ų | 33 | 48% | 0.475 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.6 | 173.6 | -67.9 | -67.8 | -170.7 | -138.8 | 0.9 | 113.6 | V85 G122 A123 A124 L128 | V85-R126 HydrophobicContact CG1-CG 3.84Å; V85-R126 VanDerWaalsContact CG2-NH2 3.33Å; G122-R126 VanDerWaalsContact O-CG 3.31Å; G122-R126 WeakPolarHBondContact O-CG 3.22Å; G122-R126 PolarHBondContact O-N 2.83Å; A123-R126 CarbonylContact O-C 3.51Å; A123-R126 PolarHBondContact O-N 3.03Å; A123-R126 VanDerWaalsContact O-N 3.14Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 3.23Å; R126-L128 HydrophobicContact CB-CB 4.29Å; R126-L128 HydrophobicContact CB-CD1 3.8Å; R126-L128 HydrophobicContact CB-CG 3.91Å; R126-L128 PolarHBondContact O-N 3.12Å |
| 127 | E | 98.6 | Very high | 98.8 | Very high | 150 Ų | 150 | 35.4 Ų | 35.4 | 70% | 0.701 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 38.7 | -173 | -56.9 | -178.8 | 176.5 | 0 | 0 | 111.9 | K28 A123 A124 E125 | K28-E127 IonicContact NZ-OE1 3.54Å; K28-E127 PolarHBondContact NZ-OE1 3.36Å; A123-E127 PolarHBondContact O-N 3.19Å; A124-E127 PolarHBondContact O-N 2.89Å; A124-E127 VanDerWaalsContact O-N 3.13Å; E125-E127 VanDerWaalsContact C-N 3.27Å |
| 128 | L | 98.6 | Very high | 98.8 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | trans | -115.5 | 150.7 | 178.6 | -66.9 | 174.3 | 0 | 0 | 0 | 110.8 | A123 R126 R132 Q136 | A123-L128 CarbonylContact C-O 3.46Å; A123-L128 PolarHBondContact O-N 2.85Å; R126-L128 HydrophobicContact CB-CB 4.29Å; R126-L128 HydrophobicContact CB-CD1 3.8Å; R126-L128 HydrophobicContact CB-CG 3.91Å; R126-L128 PolarHBondContact O-N 3.12Å; L128-R132 HydrophobicContact CB-CB 4.29Å; L128-R132 HydrophobicContact CD2-CB 4.42Å; L128-Q136 VanDerWaalsContact CD1-CD 3.5Å; L128-Q136 VanDerWaalsContact CD1-OE1 3.3Å | ||
| 129 | P | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | trans | -56 | 149.5 | 158.9 | -22.1 | 34.4 | 0 | 0 | 0 | 110.6 | Y131 R132 H133 E416 | P129-Y131 VanDerWaalsContact C-N 3.33Å; P129-Y131 HydrophobicContact CB-CD1 3.63Å; P129-Y131 HydrophobicContact CB-CE1 3.19Å; P129-Y131 HydrophobicContact CB-CE2 4.37Å; P129-Y131 HydrophobicContact CB-CG 4.37Å; P129-Y131 HydrophobicContact CG-CE1 3.94Å; P129-Y131 PolarHBondContact O-N 2.94Å; P129-R132 PolarHBondContact O-N 2.56Å; P129-R132 VanDerWaalsContact O-N 3.08Å; P129-H133 PolarHBondContact O-N 3.23Å; P129-H133 VanDerWaalsContact O-N 3.07Å; P129-E416 WeakPolarHBondContact CG-OE1 3.33Å | ||
| 130 | L | 98.9 | Very high | 98.7 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -43.9 | -175.9 | 174.2 | 63.9 | 0 | 0 | 0 | 111.8 | K120 A123 R132 H133 I134 F380 D383 | K120-L130 HydrophobicContact CG-CD1 4.31Å; K120-L130 HydrophobicContact CG-CD2 4Å; A123-L130 HydrophobicContact CB-CB 4.34Å; A123-L130 HydrophobicContact CB-CD1 4.11Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3.12Å; L130-H133 WeakPolarHBondContact O-CB 3.46Å; L130-H133 PolarHBondContact O-N 2.95Å; L130-H133 VanDerWaalsContact O-N 3.11Å; L130-I134 HydrophobicContact CD1-CD1 3.96Å; L130-I134 HydrophobicContact CD1-CG1 4.08Å; L130-I134 HydrophobicContact CD2-CD1 4.48Å; L130-I134 HydrophobicContact CG-CD1 3.85Å; L130-I134 HydrophobicContact CG-CG1 4.38Å; L130-I134 WeakPolarHBondContact O-CG1 3.45Å; L130-I134 PolarHBondContact O-N 3.16Å; L130-F380 HydrophobicContact CD1-CE2 4.26Å; L130-F380 HydrophobicContact CD2-CD2 3.81Å; L130-F380 HydrophobicContact CD2-CE2 4.15Å; L130-D383 HydrophobicContact CB-CB 4.05Å; L130-D383 WeakPolarHBondContact CB-OD1 3.44Å; L130-D383 HydrophobicContact CD2-CB 3.7Å; L130-D383 HydrophobicContact CG-CB 3.71Å |
| 131 | Y | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.4 | -36.6 | 176.8 | 65.7 | -96.1 | 0 | 0 | 0 | 113.5 | P129 A135 L143 D383 V386 G387 I413 E416 L417 | P129-Y131 VanDerWaalsContact C-N 3.33Å; P129-Y131 HydrophobicContact CB-CD1 3.63Å; P129-Y131 HydrophobicContact CB-CE1 3.19Å; P129-Y131 HydrophobicContact CB-CE2 4.37Å; P129-Y131 HydrophobicContact CB-CG 4.37Å; P129-Y131 HydrophobicContact CG-CE1 3.94Å; P129-Y131 PolarHBondContact O-N 2.94Å; Y131-A135 WeakPolarHBondContact O-CB 3.45Å; Y131-A135 PolarHBondContact O-N 3.44Å; Y131-L143 HydrophobicContact CD2-CD1 3.51Å; Y131-L143 HydrophobicContact CE2-CD1 3.58Å; Y131-D383 WeakPolarHBondContact CB-O 3.4Å; Y131-D383 WeakPolarHBondContact CD1-OD1 3.35Å; Y131-D383 PolarHBondContact N-OD1 3.34Å; Y131-D383 VanDerWaalsContact N-OD1 3.09Å; Y131-V386 HydrophobicContact CD2-CG1 4.14Å; Y131-V386 HydrophobicContact CG-CG1 4.35Å; Y131-G387 VanDerWaalsContact O-CA 3.3Å; Y131-G387 WeakPolarHBondContact O-CA 3.34Å; Y131-I413 HydrophobicContact CD1-CB 4.4Å; Y131-I413 HydrophobicContact CD1-CD1 4.05Å; Y131-I413 HydrophobicContact CD1-CG1 3.75Å; Y131-I413 HydrophobicContact CD1-CG2 3.83Å; Y131-I413 HydrophobicContact CD2-CG2 4.33Å; Y131-I413 HydrophobicContact CE1-CB 4.41Å; Y131-I413 HydrophobicContact CE1-CG1 4.03Å; Y131-I413 HydrophobicContact CE1-CG2 3.87Å; Y131-I413 HydrophobicContact CE2-CG2 4.36Å; Y131-I413 HydrophobicContact CG-CG2 4.07Å; Y131-E416 WeakPolarHBondContact CE1-OE2 3.45Å; Y131-E416 VanDerWaalsContact OH-CD 3.26Å; Y131-E416 WeakPolarHBondContact OH-CG 3.41Å; Y131-E416 PolarHBondContact OH-OE2 3.11Å; Y131-L417 HydrophobicContact CE2-CD1 4.47Å; Y131-L417 HydrophobicContact CE2-CD2 3.87Å; Y131-L417 HydrophobicContact CE2-CG 4.21Å |
| 132 | R | 98.9 | Very high | 98.4 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 27% | 0.272 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.4 | -36.5 | 175.3 | -70.9 | -152.6 | -175 | -99.2 | 8.6 | 111.7 | L128 P129 L130 A135 Q136 L143 E420 | L128-R132 HydrophobicContact CB-CB 4.29Å; L128-R132 HydrophobicContact CD2-CB 4.42Å; P129-R132 PolarHBondContact O-N 2.56Å; P129-R132 VanDerWaalsContact O-N 3.08Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3.12Å; R132-A135 WeakPolarHBondContact O-CB 3.41Å; R132-A135 PolarHBondContact O-N 3Å; R132-Q136 WeakPolarHBondContact O-CG 3.41Å; R132-Q136 PolarHBondContact O-N 2.91Å; R132-L143 HydrophobicContact CG-CD1 4.14Å; R132-E420 IonicContact CZ-OE2 3.65Å; R132-E420 IonicContact NH1-OE2 3.23Å; R132-E420 IonicContact NH2-OE1 3.55Å; R132-E420 IonicContact NH2-OE2 3.84Å; R132-E420 PolarHBondContact NH2-OE2 3.17Å |
| 133 | H | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 174.2 | -179.7 | 46.2 | 0 | 0 | 0 | 111.6 | C119 A123 P129 L130 A135 Q136 L137 | C119-H133 PolarHBondContact O-CD2 3.44Å; A123-H133 HydrophobicContact CB-CB 3.54Å; A123-H133 PolarHBondContact N-CD2 3.29Å; A123-H133 VanDerWaalsContact N-CD2 3.27Å; P129-H133 PolarHBondContact O-N 3.23Å; P129-H133 VanDerWaalsContact O-N 3.07Å; L130-H133 WeakPolarHBondContact O-CB 3.46Å; L130-H133 PolarHBondContact O-N 2.95Å; L130-H133 VanDerWaalsContact O-N 3.11Å; H133-A135 VanDerWaalsContact C-N 3.32Å; H133-A135 PolarHBondContact O-N 2.96Å; H133-Q136 WeakPolarHBondContact O-CB 3.49Å; H133-Q136 PolarHBondContact O-N 3.17Å; H133-L137 WeakPolarHBondContact O-CG 3.02Å; H133-L137 PolarHBondContact O-N 3.36Å |
| 134 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 174.7 | -68.3 | 172.5 | 0 | 0 | 0 | 110.7 | L130 Q136 L137 A138 F380 D383 L384 L388 | L130-I134 HydrophobicContact CD1-CD1 3.96Å; L130-I134 HydrophobicContact CD1-CG1 4.08Å; L130-I134 HydrophobicContact CD2-CD1 4.48Å; L130-I134 HydrophobicContact CG-CD1 3.85Å; L130-I134 HydrophobicContact CG-CG1 4.38Å; L130-I134 WeakPolarHBondContact O-CG1 3.45Å; L130-I134 PolarHBondContact O-N 3.16Å; I134-Q136 VanDerWaalsContact C-N 3.31Å; I134-Q136 PolarHBondContact O-N 3.06Å; I134-L137 WeakPolarHBondContact O-CB 3.41Å; I134-L137 PolarHBondContact O-N 3.08Å; I134-L137 VanDerWaalsContact O-N 3.12Å; I134-A138 WeakPolarHBondContact O-CB 3.18Å; I134-A138 PolarHBondContact O-N 3.47Å; I134-F380 HydrophobicContact CD1-CE1 4.32Å; I134-F380 HydrophobicContact CD1-CE2 4.19Å; I134-F380 HydrophobicContact CD1-CZ 3.88Å; I134-D383 HydrophobicContact CD1-CB 4.23Å; I134-L384 HydrophobicContact CD1-CB 4.29Å; I134-L384 HydrophobicContact CD1-CD1 4.2Å; I134-L384 HydrophobicContact CG2-CD1 3.88Å; I134-L388 HydrophobicContact CG2-CD2 4.47Å; I134-L388 HydrophobicContact CG2-CG 4.39Å |
| 135 | A | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y131 R132 H133 L137 A138 G139 N140 L143 G387 | Y131-A135 WeakPolarHBondContact O-CB 3.45Å; Y131-A135 PolarHBondContact O-N 3.44Å; R132-A135 WeakPolarHBondContact O-CB 3.41Å; R132-A135 PolarHBondContact O-N 3Å; H133-A135 VanDerWaalsContact C-N 3.32Å; H133-A135 PolarHBondContact O-N 2.96Å; A135-L137 PolarHBondContact O-N 2.98Å; A135-A138 PolarHBondContact O-N 3.41Å; A135-G139 PolarHBondContact O-N 2.86Å; A135-N140 HydrophobicContact CB-CB 4.18Å; A135-N140 PolarHBondContact O-N 2.92Å; A135-L143 HydrophobicContact CB-CD2 3.56Å; A135-G387 VanDerWaalsContact CA-O 3.28Å; A135-G387 WeakPolarHBondContact CA-O 3.17Å |
| 136 | Q | 98.8 | Very high | 98.4 | Very high | 112 Ų | 112 | 47.6 Ų | 47.6 | 52% | 0.523 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 175.2 | -71.1 | -179.2 | -6.2 | 0 | 0 | 112.9 | L128 R132 H133 I134 A138 G139 | L128-Q136 VanDerWaalsContact CD1-CD 3.5Å; L128-Q136 VanDerWaalsContact CD1-OE1 3.3Å; R132-Q136 WeakPolarHBondContact O-CG 3.41Å; R132-Q136 PolarHBondContact O-N 2.91Å; H133-Q136 WeakPolarHBondContact O-CB 3.49Å; H133-Q136 PolarHBondContact O-N 3.17Å; I134-Q136 VanDerWaalsContact C-N 3.31Å; I134-Q136 PolarHBondContact O-N 3.06Å; Q136-A138 VanDerWaalsContact C-N 3.32Å; Q136-G139 PolarHBondContact O-N 3.27Å |
| 137 | L | 98.8 | Very high | 98.4 | Very high | 55 Ų | 55 | 41.6 Ų | 41.6 | 29% | 0.288 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 174.9 | -67.1 | 174.9 | 0 | 0 | 0 | 111.8 | Q87 H133 I134 A135 I354 | Q87-L137 HydrophobicContact CB-CD1 3.89Å; Q87-L137 HydrophobicContact CB-CD2 3.83Å; Q87-L137 HydrophobicContact CG-CD1 4.01Å; H133-L137 WeakPolarHBondContact O-CG 3.02Å; H133-L137 PolarHBondContact O-N 3.36Å; I134-L137 WeakPolarHBondContact O-CB 3.41Å; I134-L137 PolarHBondContact O-N 3.08Å; I134-L137 VanDerWaalsContact O-N 3.12Å; A135-L137 PolarHBondContact O-N 2.98Å; L137-I354 HydrophobicContact CB-CD1 3.82Å; L137-I354 HydrophobicContact CD1-CD1 4.35Å |
| 138 | A | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 5% | 0.05 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -79.5 | -21.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I134 A135 Q136 I354 L388 | I134-A138 WeakPolarHBondContact O-CB 3.18Å; I134-A138 PolarHBondContact O-N 3.47Å; A135-A138 PolarHBondContact O-N 3.41Å; Q136-A138 VanDerWaalsContact C-N 3.32Å; A138-I354 HydrophobicContact CB-CG2 4.01Å; A138-L388 HydrophobicContact CB-CD2 3.78Å |
| 139 | G | 98.4 | Very high | 98.5 | Very high | 62 Ų | 62 | 32.3 Ų | 32.3 | 64% | 0.639 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 21.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A135 Q136 | A135-G139 PolarHBondContact O-N 2.86Å; Q136-G139 PolarHBondContact O-N 3.27Å |
| 140 | N | 98.3 | Very high | 98.5 | Very high | 46 Ų | 46 | 30.6 Ų | 30.6 | 25% | 0.246 | 18% | 0.178 | C | C | . | . | trans | -93.9 | 147.1 | 180 | -67 | -25.1 | 0 | 0 | 0 | 111.6 | A135 G387 L388 | A135-N140 HydrophobicContact CB-CB 4.18Å; A135-N140 PolarHBondContact O-N 2.92Å; N140-G387 PolarHBondContact ND2-O 3.39Å; N140-L388 VanDerWaalsContact ND2-C 3.3Å; N140-L388 WeakPolarHBondContact ND2-CA 3.49Å; N140-L388 PolarHBondContact ND2-O 3.39Å | ||
| 141 | S | 94.9 | Very high | 98.5 | Very high | 99 Ų | 99 | 29.5 Ų | 29.5 | 69% | 0.692 | 17% | 0.172 | S | C | * | . | trans | -118.9 | -52.9 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 142 | D | 96.3 | Very high | 98.5 | Very high | 135 Ų | 135 | 29.4 Ų | 29.4 | 72% | 0.722 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -88.4 | 111.6 | -177.9 | -57.8 | -49.8 | 0 | 0 | 0 | 110.2 | C389 | D142-C389 PolarHBondContact O-SG 3.27Š|
| 143 | L | 98.4 | Very high | 98.5 | Very high | 13 Ų | 13 | 26 Ų | 26 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | trans | -86.5 | 145.9 | -172.6 | -59.3 | 177.4 | 0 | 0 | 0 | 112 | Y131 R132 A135 V386 L417 | Y131-L143 HydrophobicContact CD2-CD1 3.51Å; Y131-L143 HydrophobicContact CE2-CD1 3.58Å; R132-L143 HydrophobicContact CG-CD1 4.14Å; A135-L143 HydrophobicContact CB-CD2 3.56Å; L143-V386 HydrophobicContact CB-CG1 4.07Å; L143-V386 HydrophobicContact CD1-CG1 4.37Å; L143-L417 HydrophobicContact CB-CD1 4.33Å; L143-L417 HydrophobicContact CD1-CD1 4.43Å; L143-L417 HydrophobicContact CD1-CD2 3.9Å | ||
| 144 | I | 98.7 | Very high | 98.4 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.5 | -176.8 | -57.3 | -65.5 | 0 | 0 | 0 | 110 | C389 R422 A424 P431 L434 | I144-C389 HydrophobicContact CB-CB 4.44Å; I144-C389 HydrophobicContact CG1-CB 4.22Å; I144-R422 HydrophobicContact CD1-CB 3.89Å; I144-A424 HydrophobicContact CG2-CB 3.77Å; I144-P431 HydrophobicContact CB-CB 4.33Å; I144-P431 HydrophobicContact CD1-CB 4.49Å; I144-P431 HydrophobicContact CG1-CB 4.04Å; I144-P431 HydrophobicContact CG2-CB 3.74Å; I144-P431 HydrophobicContact CG2-CG 4.41Å; I144-L434 HydrophobicContact CD1-CB 4.24Å; I144-L434 HydrophobicContact CD1-CD1 4.26Å |
| 145 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131 | 166.2 | -84.9 | -63.5 | 0 | 0 | 0 | 109.8 | F178 V386 L410 E414 L417 A421 R422 F423 A424 | L145-F178 HydrophobicContact CB-CB 4.11Å; L145-F178 HydrophobicContact CD1-CB 4.21Å; L145-F178 HydrophobicContact CD1-CG 4.28Å; L145-F178 HydrophobicContact CG-CB 4.16Å; L145-V386 HydrophobicContact CD1-CG2 4.07Å; L145-L410 HydrophobicContact CD1-CD2 4.27Å; L145-E414 HydrophobicContact CD1-CB 4.06Å; L145-E414 HydrophobicContact CD2-CB 4.46Å; L145-E414 HydrophobicContact CG-CB 4.03Å; L145-E414 HydrophobicContact CG-CG 4.44Å; L145-L417 HydrophobicContact CD2-CD1 3.71Å; L145-A421 HydrophobicContact CD2-CB 4.15Å; L145-R422 PolarHBondContact N-O 2.8Å; L145-F423 HydrophobicContact CB-CD2 4.38Å; L145-A424 WeakPolarHBondContact O-CB 3.38Å; L145-A424 PolarHBondContact O-N 3.5Å |
| 146 | P | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -80 | 156 | -172.8 | 34.5 | -38.6 | 0 | 0 | 0 | 112.8 | P148 F178 V385 G391 I393 L410 F423 | P146-P148 WeakPolarHBondContact O-CD 3.22Å; P146-F178 HydrophobicContact CG-CE2 4.31Å; P146-F178 VanDerWaalsContact O-CD2 3.23Å; P146-F178 WeakPolarHBondContact O-CD2 3.11Å; P146-V385 HydrophobicContact CB-CG1 4.43Å; P146-V385 HydrophobicContact CB-CG2 3.7Å; P146-V385 HydrophobicContact CG-CG1 3.74Å; P146-V385 HydrophobicContact CG-CG2 3.96Å; P146-G391 CarbonylContact C-O 3.53Å; P146-G391 VanDerWaalsContact CA-C 3.44Å; P146-G391 WeakPolarHBondContact CA-O 3.22Å; P146-I393 HydrophobicContact CB-CB 4.3Å; P146-I393 HydrophobicContact CB-CG2 3.9Å; P146-I393 HydrophobicContact CG-CB 4.23Å; P146-I393 HydrophobicContact CG-CG2 3.55Å; P146-L410 HydrophobicContact CG-CD1 4.05Å; P146-L410 HydrophobicContact CG-CD2 4.05Å; P146-F423 VanDerWaalsContact O-CE2 3.27Å; P146-F423 WeakPolarHBondContact O-CE2 3.49Å |
| 147 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 124.3 | 158.4 | 178 | 0 | 0 | 0 | 0 | 108.8 | L171 V173 G391 Q392 I393 F423 A424 G425 F428 | V147-L171 HydrophobicContact CG1-CB 3.95Å; V147-L171 HydrophobicContact CG1-CD2 4.38Å; V147-L171 HydrophobicContact CG1-CG 4.43Å; V147-V173 HydrophobicContact CG1-CG1 4.06Å; V147-V173 HydrophobicContact CG2-CG1 4.4Å; V147-G391 PolarHBondContact N-O 3.19Å; V147-Q392 WeakPolarHBondContact O-CA 3.35Å; V147-I393 PolarHBondContact O-N 3.15Å; V147-I393 VanDerWaalsContact O-N 3.11Å; V147-F423 HydrophobicContact CB-CZ 4.41Å; V147-F423 HydrophobicContact CG2-CE1 4.35Å; V147-F423 HydrophobicContact CG2-CE2 4.1Å; V147-F423 HydrophobicContact CG2-CZ 3.73Å; V147-A424 HydrophobicContact CG2-CB 4.33Å; V147-G425 VanDerWaalsContact CG2-O 3.26Å; V147-G425 WeakPolarHBondContact CG2-O 3.45Å; V147-F428 HydrophobicContact CB-CB 3.99Å; V147-F428 HydrophobicContact CG2-CB 3.68Å |
| 148 | P | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 129.2 | 172.6 | 30.7 | -33.2 | 0 | 0 | 0 | 111 | P146 F150 P172 F178 A181 Y407 | P146-P148 WeakPolarHBondContact O-CD 3.22Å; P148-F150 HydrophobicContact CB-CD1 4.43Å; P148-F150 HydrophobicContact CB-CD2 4.35Å; P148-F150 HydrophobicContact CB-CE1 3.8Å; P148-F150 HydrophobicContact CB-CE2 3.74Å; P148-F150 HydrophobicContact CB-CZ 3.42Å; P148-F150 VanDerWaalsContact CB-CZ 3.42Å; P148-F150 HydrophobicContact CG-CD2 4.34Å; P148-F150 HydrophobicContact CG-CE1 4.2Å; P148-F150 HydrophobicContact CG-CE2 3.4Å; P148-F150 VanDerWaalsContact CG-CE2 3.4Å; P148-F150 HydrophobicContact CG-CZ 3.31Å; P148-P172 WeakPolarHBondContact O-CD 3.29Å; P148-F178 HydrophobicContact CB-CE2 4.12Å; P148-F178 HydrophobicContact CG-CE2 4Å; P148-A181 HydrophobicContact CG-CB 3.95Å; P148-Y407 HydrophobicContact CB-CD1 4.27Å; P148-Y407 HydrophobicContact CB-CE1 3.64Å |
| 149 | A | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 100.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | M169 L171 M368 I393 K394 | A149-M169 HydrophobicContact CB-CB 4.37Å; A149-M169 HydrophobicContact CB-SD 3.74Å; A149-L171 HydrophobicContact CB-CD1 4Å; A149-L171 HydrophobicContact CB-CD2 4.16Å; A149-L171 HydrophobicContact CB-CG 3.8Å; A149-M368 HydrophobicContact CB-CE 4.49Å; A149-M368 HydrophobicContact CB-SD 4.49Å; A149-I393 PolarHBondContact N-O 2.81Å; A149-K394 HydrophobicContact CB-CB 4.05Å |
| 150 | F | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 114.7 | -175.2 | -59.8 | -72.9 | 0 | 0 | 0 | 111.1 | P148 V152 M169 I170 P172 M182 G396 P398 Y407 | P148-F150 HydrophobicContact CB-CD1 4.43Å; P148-F150 HydrophobicContact CB-CD2 4.35Å; P148-F150 HydrophobicContact CB-CE1 3.8Å; P148-F150 HydrophobicContact CB-CE2 3.74Å; P148-F150 HydrophobicContact CB-CZ 3.42Å; P148-F150 VanDerWaalsContact CB-CZ 3.42Å; P148-F150 HydrophobicContact CG-CD2 4.34Å; P148-F150 HydrophobicContact CG-CE1 4.2Å; P148-F150 HydrophobicContact CG-CE2 3.4Å; P148-F150 VanDerWaalsContact CG-CE2 3.4Å; P148-F150 HydrophobicContact CG-CZ 3.31Å; F150-V152 HydrophobicContact CB-CG1 4.03Å; F150-V152 WeakPolarHBondContact O-CG1 3.31Å; F150-V152 PolarHBondContact O-N 2.96Å; F150-M169 CarbonylContact O-C 3.56Å; F150-M169 WeakPolarHBondContact O-CA 3.17Å; F150-I170 HydrophobicContact CB-CG1 3.86Å; F150-I170 HydrophobicContact CD2-CG1 4.1Å; F150-I170 HydrophobicContact CG-CG1 4.48Å; F150-I170 PolarHBondContact N-O 3.06Å; F150-I170 PolarHBondContact O-N 3.43Å; F150-P172 HydrophobicContact CD2-CG 4.27Å; F150-P172 HydrophobicContact CE2-CG 3.89Å; F150-M182 HydrophobicContact CE1-CE 3.78Å; F150-M182 HydrophobicContact CE1-SD 3.59Å; F150-M182 VanDerWaalsContact CE1-SD 3.59Å; F150-M182 HydrophobicContact CZ-CE 3.97Å; F150-M182 HydrophobicContact CZ-SD 3.43Å; F150-M182 WeakPolarHBondContact CZ-SD 3.44Å; F150-G396 WeakPolarHBondContact CA-O 3.42Å; F150-P398 HydrophobicContact CD1-CB 4.43Å; F150-P398 HydrophobicContact CD1-CG 4.46Å; F150-Y407 HydrophobicContact CD1-CE1 4.06Å; F150-Y407 AromaticContact CD1-CE2 3.73Å; F150-Y407 HydrophobicContact CD1-CE2 3.73Å; F150-Y407 AromaticContact CD1-CZ 3.47Å; F150-Y407 VanDerWaalsContact CD1-CZ 3.47Å; F150-Y407 WeakPolarHBondContact CD1-OH 3.34Å; F150-Y407 AromaticContact CE1-CD1 3.99Å; F150-Y407 HydrophobicContact CE1-CD1 3.99Å; F150-Y407 HydrophobicContact CE1-CD2 4.09Å; F150-Y407 AromaticContact CE1-CE1 3.59Å; F150-Y407 HydrophobicContact CE1-CE1 3.59Å; F150-Y407 AromaticContact CE1-CE2 3.71Å; F150-Y407 HydrophobicContact CE1-CE2 3.71Å; F150-Y407 HydrophobicContact CE1-CG 4.23Å; F150-Y407 AromaticContact CE1-CZ 3.45Å; F150-Y407 VanDerWaalsContact CE1-CZ 3.45Å; F150-Y407 HydrophobicContact CZ-CE1 4.42Å |
| 151 | N | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 93.1 | 176.3 | -171.6 | 2.3 | 0 | 0 | 0 | 111.6 | I153 N154 E167 F168 M169 E210 G212 A397 | N151-I153 PolarHBondContact OD1-O 3.2Å; N151-I153 VanDerWaalsContact OD1-O 3.07Å; N151-N154 VanDerWaalsContact CG-ND2 3.3Å; N151-N154 PolarHBondContact ND2-ND2 2.61Å; N151-N154 PolarHBondContact OD1-ND2 3.42Å; N151-E167 WeakPolarHBondContact ND2-CB 3.49Å; N151-E167 WeakPolarHBondContact ND2-CG 3.38Å; N151-E167 WeakPolarHBondContact OD1-CA 3.38Å; N151-E167 WeakPolarHBondContact OD1-CB 3.39Å; N151-F168 PolarHBondContact OD1-N 2.89Å; N151-M169 HydrophobicContact CB-CG 4.07Å; N151-E210 PolarHBondContact ND2-OE2 2.97Å; N151-G212 VanDerWaalsContact O-CA 3.29Å; N151-G212 WeakPolarHBondContact O-CA 3.23Å; N151-A397 VanDerWaalsContact O-CB 3.29Å; N151-A397 WeakPolarHBondContact O-CB 3.45Å |
| 152 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -19 | -168.3 | -66 | 0 | 0 | 0 | 0 | 114.5 | F150 F168 I170 Y189 L192 G212 F213 V227 | F150-V152 HydrophobicContact CB-CG1 4.03Å; F150-V152 WeakPolarHBondContact O-CG1 3.31Å; F150-V152 PolarHBondContact O-N 2.96Å; V152-F168 WeakPolarHBondContact CG2-O 3.38Å; V152-F168 PolarHBondContact N-O 3.18Å; V152-I170 HydrophobicContact CG1-CD1 3.83Å; V152-I170 HydrophobicContact CG1-CG1 3.82Å; V152-I170 HydrophobicContact CG2-CG1 4.43Å; V152-I170 HydrophobicContact CG2-CG2 3.95Å; V152-Y189 HydrophobicContact CB-CD2 4.1Å; V152-Y189 HydrophobicContact CG1-CD2 3.85Å; V152-L192 HydrophobicContact CB-CD2 3.76Å; V152-L192 HydrophobicContact CG2-CD2 3.76Å; V152-G212 CarbonylContact O-C 3.6Å; V152-G212 VanDerWaalsContact O-CA 3.31Å; V152-G212 WeakPolarHBondContact O-CA 3.31Å; V152-F213 PolarHBondContact O-N 3.26Å; V152-V227 HydrophobicContact CG2-CG2 3.96Å |
| 153 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.8 | 166.4 | -59.4 | -177.1 | 0 | 0 | 0 | 108.5 | N151 L163 F168 L192 I196 F213 P215 A223 L226 V227 | N151-I153 PolarHBondContact OD1-O 3.2Å; N151-I153 VanDerWaalsContact OD1-O 3.07Å; I153-L163 HydrophobicContact CG2-CD2 3.9Å; I153-F168 HydrophobicContact CB-CB 4.11Å; I153-F168 HydrophobicContact CB-CD2 4.32Å; I153-F168 HydrophobicContact CG2-CD2 4.29Å; I153-F168 PolarHBondContact N-O 2.92Å; I153-F168 PolarHBondContact O-N 3.47Å; I153-F168 VanDerWaalsContact O-N 3.07Å; I153-L192 HydrophobicContact CD1-CD1 4.33Å; I153-L192 HydrophobicContact CD1-CD2 4.31Å; I153-L192 HydrophobicContact CG1-CD2 3.83Å; I153-I196 HydrophobicContact CD1-CD1 4.38Å; I153-I196 HydrophobicContact CG1-CD1 4.44Å; I153-F213 CarbonylContact C-O 3.58Å; I153-F213 WeakPolarHBondContact CA-O 2.9Å; I153-P215 HydrophobicContact CG2-CG 4.11Å; I153-A223 HydrophobicContact CD1-CB 4.25Å; I153-A223 HydrophobicContact CG2-CB 4.4Å; I153-L226 HydrophobicContact CD1-CB 4.06Å; I153-L226 HydrophobicContact CD1-CD1 4.27Å; I153-V227 HydrophobicContact CD1-CG2 3.75Å; I153-V227 HydrophobicContact CG1-CG2 4.08Å |
| 154 | N | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.6 | 175.2 | -69.7 | 132.1 | 0 | 0 | 0 | 111.3 | N151 H158 A159 N161 G212 F213 | N151-N154 VanDerWaalsContact CG-ND2 3.3Å; N151-N154 PolarHBondContact ND2-ND2 2.61Å; N151-N154 PolarHBondContact OD1-ND2 3.42Å; N154-H158 HydrophobicContact CB-CB 4.41Å; N154-A159 HydrophobicContact CB-CB 3.93Å; N154-A159 WeakPolarHBondContact O-CB 3.23Å; N154-N161 PolarHBondContact O-ND2 3.39Å; N154-G212 WeakPolarHBondContact OD1-CA 3.45Å; N154-G212 PolarHBondContact OD1-N 2.66Å; N154-G212 PolarHBondContact OD1-O 2.89Å; N154-G212 VanDerWaalsContact OD1-O 3.14Å; N154-F213 PolarHBondContact N-O 2.97Å |
| 155 | G | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -129.4 | -146.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S157 H158 A159 M165 Q166 | G155-S157 PolarHBondContact O-N 3.46Å; G155-H158 PolarHBondContact O-N 3.04Å; G155-H158 VanDerWaalsContact O-N 3.1Å; G155-A159 PolarHBondContact O-N 2.52Å; G155-M165 CarbonylContact C-O 3.57Å; G155-M165 WeakPolarHBondContact CA-O 3.29Å; G155-Q166 PolarHBondContact N-O 3.08Å | ||
| 156 | G | 96 | Very high | 96.6 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | 49.6 | -137.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H158 L163 A164 M165 K262 | G156-H158 VanDerWaalsContact C-N 3.25Å; G156-H158 PolarHBondContact O-N 2.86Å; G156-L163 PolarHBondContact N-O 3.22Å; G156-A164 WeakPolarHBondContact CA-O 3.46Å; G156-A164 PolarHBondContact N-O 3.37Å; G156-M165 PolarHBondContact N-O 3.03Å; G156-M165 VanDerWaalsContact N-O 3.15Å; G156-K262 WeakPolarHBondContact O-CD 3.47Å; G156-K262 WeakPolarHBondContact O-CE 3.29Å; G156-K262 PolarHBondContact O-NZ 2.96Å |
| 157 | S | 93.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 12.6 Ų | 12.6 | 33% | 0.329 | 9% | 0.09 | S | C | . | . | G | 310 helix | trans | -78.5 | -4.5 | 179.1 | -66.7 | 0 | 0 | 0 | 0 | 113.8 | G155 E250 | G155-S157 PolarHBondContact O-N 3.46Å; S157-E250 PolarHBondContact OG-OE2 2.86Å |
| 158 | H | 89.1 | Confident | 96.6 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 3% | 0.032 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -93.3 | -6.9 | -178.7 | -65.9 | 174.7 | 0 | 0 | 0 | 113.9 | N154 G155 G156 Q166 E167 G208 D209 E210 S373 | N154-H158 HydrophobicContact CB-CB 4.41Å; G155-H158 PolarHBondContact O-N 3.04Å; G155-H158 VanDerWaalsContact O-N 3.1Å; G156-H158 VanDerWaalsContact C-N 3.25Å; G156-H158 PolarHBondContact O-N 2.86Å; H158-Q166 HydrophobicContact CB-CG 4.42Å; H158-Q166 PolarHBondContact CE1-NE2 3.28Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.44Å; H158-E167 IonicContact CE1-OE1 4Å; H158-E167 IonicContact ND1-OE1 3.72Å; H158-G208 WeakPolarHBondContact O-CA 3.3Å; H158-D209 PolarHBondContact O-N 2.89Å; H158-D209 VanDerWaalsContact O-N 3.16Å; H158-E210 IonicContact CE1-OE1 3.03Å; H158-E210 PolarHBondContact CE1-OE1 3.14Å; H158-E210 VanDerWaalsContact CE1-OE1 3.23Å; H158-E210 IonicContact ND1-OE1 3.47Å; H158-S373 VanDerWaalsContact NE2-CB 3.29Å; H158-S373 WeakPolarHBondContact NE2-CB 3.39Å; H158-S373 PolarHBondContact NE2-OG 3.1Å |
| 159 | A | 90.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 12.8 Ų | 12.8 | 11% | 0.107 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -147.7 | 142.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | N154 G155 N161 A214 K262 | N154-A159 HydrophobicContact CB-CB 3.93Å; N154-A159 WeakPolarHBondContact O-CB 3.23Å; G155-A159 PolarHBondContact O-N 2.52Å; A159-N161 PolarHBondContact O-N 3.42Å; A159-A214 HydrophobicContact CB-CB 3.78Å; A159-K262 PolarHBondContact O-NZ 3.28Å |
| 160 | G | 91.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 12.8 Ų | 12.8 | 94% | 0.938 | 9% | 0.091 | S | C | * | . | S | Bend | trans | -77.7 | 46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 161 | N | 94 | Very high | 96.6 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 5% | 0.053 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -119.9 | -174.4 | 175.2 | 59.3 | 15.2 | 0 | 0 | 0 | 111.1 | N154 A159 P215 K262 | N154-N161 PolarHBondContact O-ND2 3.39Å; A159-N161 PolarHBondContact O-N 3.42Å; N161-P215 WeakPolarHBondContact CB-O 3.48Å; N161-P215 PolarHBondContact ND2-O 3.28Å; N161-K262 VanDerWaalsContact O-CD 3.3Å; N161-K262 WeakPolarHBondContact O-CD 3.33Å; N161-K262 WeakPolarHBondContact O-CE 3.43Å; N161-K262 PolarHBondContact O-NZ 3.11Å; N161-K262 PolarHBondContact OD1-NZ 2.92Å |
| 162 | K | 95.6 | Very high | 96.6 | Very high | 89 Ų | 89 | 12.8 Ų | 12.8 | 39% | 0.387 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -87.9 | -27.5 | 177.2 | -69.9 | -165.5 | 171.6 | -158.3 | 0 | 114.5 | A164 I217 L218 K262 | K162-A164 PolarHBondContact O-N 3.42Å; K162-I217 CarbonylContact C-O 3.58Å; K162-L218 HydrophobicContact CB-CB 4.11Å; K162-L218 HydrophobicContact CB-CD1 3.91Å; K162-L218 HydrophobicContact CD-CB 4.49Å; K162-K262 WeakPolarHBondContact O-CE 3.2Å |
| 163 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -44.2 | 117.9 | -179.3 | -172.3 | 62.8 | 0 | 0 | 0 | 111.6 | I153 G156 F168 I217 N220 A223 K262 | I153-L163 HydrophobicContact CG2-CD2 3.9Å; G156-L163 PolarHBondContact N-O 3.22Å; L163-F168 HydrophobicContact CD1-CE2 4.04Å; L163-F168 HydrophobicContact CD1-CZ 4Å; L163-F168 HydrophobicContact CD2-CD2 4.09Å; L163-F168 HydrophobicContact CD2-CE2 3.51Å; L163-F168 HydrophobicContact CD2-CZ 4.27Å; L163-F168 HydrophobicContact CG-CE2 3.9Å; L163-F168 HydrophobicContact CG-CZ 4.36Å; L163-I217 WeakPolarHBondContact CA-O 3.06Å; L163-I217 HydrophobicContact CB-CG1 4.38Å; L163-I217 HydrophobicContact CD1-CD1 4.39Å; L163-I217 HydrophobicContact CD1-CG1 4.27Å; L163-I217 HydrophobicContact CD2-CD1 4.22Å; L163-I217 HydrophobicContact CD2-CG1 4.23Å; L163-I217 PolarHBondContact N-O 3.41Å; L163-N220 HydrophobicContact CD1-CB 4.38Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.19Å; L163-A223 HydrophobicContact CD1-CB 4.23Å; L163-A223 HydrophobicContact CD2-CB 4.11Å; L163-K262 WeakPolarHBondContact O-CE 3.44Å; L163-K262 PolarHBondContact O-NZ 3.46Å | ||
| 164 | A | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | trans | -78.4 | -42.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G156 K162 F251 L259 F261 | G156-A164 WeakPolarHBondContact CA-O 3.46Å; G156-A164 PolarHBondContact N-O 3.37Å; K162-A164 PolarHBondContact O-N 3.42Å; A164-F251 HydrophobicContact CB-CD1 4.37Å; A164-F251 HydrophobicContact CB-CE1 4.46Å; A164-L259 HydrophobicContact CB-CB 4.45Å; A164-L259 HydrophobicContact CB-CD2 4.46Å; A164-L259 WeakPolarHBondContact CB-O 3.49Å; A164-F261 HydrophobicContact CB-CD1 4Å; A164-F261 HydrophobicContact CB-CE1 4.16Å | ||
| 165 | M | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -69.3 | 143 | 179.1 | -64 | 176.4 | -170.1 | 0 | 0 | 110.6 | G155 G156 F168 N220 M244 V246 L259 L276 L279 Y280 F283 | G155-M165 CarbonylContact C-O 3.57Å; G155-M165 WeakPolarHBondContact CA-O 3.29Å; G156-M165 PolarHBondContact N-O 3.03Å; G156-M165 VanDerWaalsContact N-O 3.15Å; M165-F168 HydrophobicContact CB-CE2 3.97Å; M165-F168 HydrophobicContact CB-CZ 3.78Å; M165-F168 HydrophobicContact SD-CZ 4.48Å; M165-N220 WeakPolarHBondContact CB-OD1 3.28Å; M165-N220 HydrophobicContact CE-CB 4.02Å; M165-N220 HydrophobicContact CG-CB 4.32Å; M165-N220 VanDerWaalsContact CG-OD1 3.23Å; M165-N220 WeakPolarHBondContact CG-OD1 3.34Å; M165-N220 PolarHBondContact N-OD1 3.39Å; M165-N220 HydrophobicContact SD-CB 3.59Å; M165-N220 VanDerWaalsContact SD-CB 3.59Å; M165-M244 HydrophobicContact SD-CE 3.34Å; M165-M244 WeakPolarHBondContact SD-CE 3.34Å; M165-V246 HydrophobicContact CG-CB 4.43Å; M165-V246 HydrophobicContact CG-CG1 4.11Å; M165-V246 HydrophobicContact CG-CG2 4.31Å; M165-V246 HydrophobicContact SD-CG2 4.14Å; M165-L259 HydrophobicContact CE-CD2 4.33Å; M165-L276 HydrophobicContact CE-CD1 4.43Å; M165-L279 HydrophobicContact CE-CD2 4.4Å; M165-Y280 HydrophobicContact CE-CD1 4.36Å; M165-Y280 HydrophobicContact CE-CE1 3.48Å; M165-Y280 VanDerWaalsContact CE-CE1 3.48Å; M165-Y280 HydrophobicContact SD-CE1 4.24Å; M165-F283 HydrophobicContact CE-CE2 3.93Å; M165-F283 HydrophobicContact SD-CE2 4.08Å |
| 166 | Q | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | trans | -81.9 | -41.8 | -163.4 | -172.5 | 160.7 | -95.5 | 0 | 0 | 113.5 | S40 G155 H158 D245 A247 | S40-Q166 PolarHBondContact OG-NE2 3.38Å; S40-Q166 PolarHBondContact OG-OE1 2.92Å; G155-Q166 PolarHBondContact N-O 3.08Å; H158-Q166 HydrophobicContact CB-CG 4.42Å; H158-Q166 PolarHBondContact CE1-NE2 3.28Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.44Å; Q166-D245 PolarHBondContact N-O 3.03Å; Q166-D245 PolarHBondContact NE2-OD2 3.09Å; Q166-A247 HydrophobicContact CB-CB 3.82Å; Q166-A247 HydrophobicContact CG-CB 4.4Å | ||
| 167 | E | 98.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 132.6 | -170.3 | -43.2 | -176.4 | 165.5 | 0 | 0 | 111.4 | N151 H158 M169 M244 D245 K394 | N151-E167 WeakPolarHBondContact ND2-CB 3.49Å; N151-E167 WeakPolarHBondContact ND2-CG 3.38Å; N151-E167 WeakPolarHBondContact OD1-CA 3.38Å; N151-E167 WeakPolarHBondContact OD1-CB 3.39Å; H158-E167 IonicContact CE1-OE1 4Å; H158-E167 IonicContact ND1-OE1 3.72Å; E167-M169 HydrophobicContact CB-CE 4.32Å; E167-M169 HydrophobicContact CB-CG 4.34Å; E167-M244 WeakPolarHBondContact O-CA 3.19Å; E167-D245 HydrophobicContact CB-CB 3.8Å; E167-D245 HydrophobicContact CG-CB 3.7Å; E167-D245 PolarHBondContact N-O 3.18Å; E167-D245 PolarHBondContact O-N 2.9Å; E167-D245 WeakPolarHBondContact OE2-CB 3.39Å; E167-K394 IonicContact OE1-NZ 2.85Å; E167-K394 IonicContact OE2-NZ 3.82Å; E167-K394 PolarHBondContact OE2-NZ 3.25Å |
| 168 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 107.1 | 169.2 | -61 | -101.4 | 0 | 0 | 0 | 107.4 | N151 V152 I153 L163 M165 N220 A223 L224 V227 M244 | N151-F168 PolarHBondContact OD1-N 2.89Å; V152-F168 WeakPolarHBondContact CG2-O 3.38Å; V152-F168 PolarHBondContact N-O 3.18Å; I153-F168 HydrophobicContact CB-CB 4.11Å; I153-F168 HydrophobicContact CB-CD2 4.32Å; I153-F168 HydrophobicContact CG2-CD2 4.29Å; I153-F168 PolarHBondContact N-O 2.92Å; I153-F168 PolarHBondContact O-N 3.47Å; I153-F168 VanDerWaalsContact O-N 3.07Å; L163-F168 HydrophobicContact CD1-CE2 4.04Å; L163-F168 HydrophobicContact CD1-CZ 4Å; L163-F168 HydrophobicContact CD2-CD2 4.09Å; L163-F168 HydrophobicContact CD2-CE2 3.51Å; L163-F168 HydrophobicContact CD2-CZ 4.27Å; L163-F168 HydrophobicContact CG-CE2 3.9Å; L163-F168 HydrophobicContact CG-CZ 4.36Å; M165-F168 HydrophobicContact CB-CE2 3.97Å; M165-F168 HydrophobicContact CB-CZ 3.78Å; M165-F168 HydrophobicContact SD-CZ 4.48Å; F168-N220 HydrophobicContact CE1-CB 4.37Å; F168-N220 WeakPolarHBondContact CE1-O 3.36Å; F168-N220 HydrophobicContact CZ-CB 3.99Å; F168-A223 HydrophobicContact CD1-CB 3.72Å; F168-A223 HydrophobicContact CD2-CB 3.92Å; F168-A223 HydrophobicContact CE1-CB 3.57Å; F168-A223 HydrophobicContact CE2-CB 3.82Å; F168-A223 HydrophobicContact CG-CB 3.89Å; F168-A223 HydrophobicContact CZ-CB 3.62Å; F168-L224 HydrophobicContact CD1-CD2 3.86Å; F168-L224 HydrophobicContact CD1-CG 4.02Å; F168-L224 HydrophobicContact CE1-CD2 4.25Å; F168-L224 HydrophobicContact CE1-CG 3.98Å; F168-V227 HydrophobicContact CB-CG2 4.39Å; F168-M244 HydrophobicContact CD1-CE 4.32Å; F168-M244 HydrophobicContact CE1-CE 3.75Å; F168-M244 HydrophobicContact CZ-CE 4.37Å |
| 169 | M | 98.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 148 | -170 | -65.3 | 175.2 | -90.4 | 0 | 0 | 112 | A149 F150 N151 E167 L171 I242 G243 D245 K394 | A149-M169 HydrophobicContact CB-CB 4.37Å; A149-M169 HydrophobicContact CB-SD 3.74Å; F150-M169 CarbonylContact O-C 3.56Å; F150-M169 WeakPolarHBondContact O-CA 3.17Å; N151-M169 HydrophobicContact CB-CG 4.07Å; E167-M169 HydrophobicContact CB-CE 4.32Å; E167-M169 HydrophobicContact CB-CG 4.34Å; M169-L171 HydrophobicContact CB-CD1 4.2Å; M169-I242 CarbonylContact O-C 3.57Å; M169-I242 VanDerWaalsContact O-CA 3.29Å; M169-I242 WeakPolarHBondContact O-CA 3.34Å; M169-I242 WeakPolarHBondContact O-CG2 3.47Å; M169-G243 WeakPolarHBondContact CA-O 3.3Å; M169-G243 PolarHBondContact N-O 2.76Å; M169-G243 PolarHBondContact O-N 3.35Å; M169-D245 HydrophobicContact CE-CB 4.13Å; M169-K394 HydrophobicContact CE-CD 4.4Å; M169-K394 HydrophobicContact SD-CB 4.06Å; M169-K394 HydrophobicContact SD-CD 4.05Å |
| 170 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139 | 166.1 | 60.8 | 175.3 | 0 | 0 | 0 | 110.4 | F150 V152 V188 V227 I231 I240 V241 | F150-I170 HydrophobicContact CB-CG1 3.86Å; F150-I170 HydrophobicContact CD2-CG1 4.1Å; F150-I170 HydrophobicContact CG-CG1 4.48Å; F150-I170 PolarHBondContact N-O 3.06Å; F150-I170 PolarHBondContact O-N 3.43Å; V152-I170 HydrophobicContact CG1-CD1 3.83Å; V152-I170 HydrophobicContact CG1-CG1 3.82Å; V152-I170 HydrophobicContact CG2-CG1 4.43Å; V152-I170 HydrophobicContact CG2-CG2 3.95Å; I170-V188 HydrophobicContact CD1-CB 3.64Å; I170-V188 HydrophobicContact CD1-CG1 3.55Å; I170-V188 HydrophobicContact CD1-CG2 4.45Å; I170-V188 HydrophobicContact CG2-CG1 4.49Å; I170-V227 HydrophobicContact CG2-CG1 3.38Å; I170-I231 HydrophobicContact CG2-CD1 4Å; I170-I231 HydrophobicContact CG2-CG1 4.35Å; I170-I240 HydrophobicContact CB-CG2 3.68Å; I170-I240 HydrophobicContact CG2-CG2 4.18Å; I170-V241 WeakPolarHBondContact CA-O 3.27Å |
| 171 | L | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 107.3 | -178.9 | -70.6 | 83.9 | 0 | 0 | 0 | 109.2 | V147 A149 M169 V173 I240 V241 G243 F428 | V147-L171 HydrophobicContact CG1-CB 3.95Å; V147-L171 HydrophobicContact CG1-CD2 4.38Å; V147-L171 HydrophobicContact CG1-CG 4.43Å; A149-L171 HydrophobicContact CB-CD1 4Å; A149-L171 HydrophobicContact CB-CD2 4.16Å; A149-L171 HydrophobicContact CB-CG 3.8Å; M169-L171 HydrophobicContact CB-CD1 4.2Å; L171-V173 HydrophobicContact CB-CG1 4.17Å; L171-V173 PolarHBondContact O-N 3.12Å; L171-I240 WeakPolarHBondContact O-CA 3.45Å; L171-V241 HydrophobicContact CB-CG2 3.85Å; L171-V241 PolarHBondContact N-O 3.13Å; L171-V241 PolarHBondContact O-N 3.32Å; L171-G243 VanDerWaalsContact CD1-N 3.34Å; L171-F428 HydrophobicContact CD2-CE2 4.38Å |
| 172 | P | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -76.1 | 63.7 | 177.6 | -17.8 | 34.1 | 0 | 0 | 0 | 113.5 | P148 F150 G174 A175 A181 L184 K239 I240 | P148-P172 WeakPolarHBondContact O-CD 3.29Å; F150-P172 HydrophobicContact CD2-CG 4.27Å; F150-P172 HydrophobicContact CE2-CG 3.89Å; P172-G174 PolarHBondContact O-N 3.4Å; P172-A175 HydrophobicContact CB-CB 4.26Å; P172-A175 WeakPolarHBondContact O-CB 3.48Å; P172-A175 PolarHBondContact O-N 2.77Å; P172-A181 HydrophobicContact CB-CB 3.98Å; P172-A181 HydrophobicContact CG-CB 4.36Å; P172-L184 HydrophobicContact CB-CB 4.04Å; P172-L184 HydrophobicContact CB-CD2 4.22Å; P172-L184 HydrophobicContact CG-CB 4.27Å; P172-K239 CarbonylContact C-O 3.52Å; P172-I240 HydrophobicContact CB-CG1 4.06Å; P172-I240 HydrophobicContact CG-CG1 4.29Å | ||
| 173 | V | 98.9 | Very high | 98.7 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.036 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.3 | -177.6 | -65 | 0 | 0 | 0 | 0 | 114 | V147 L171 K239 V241 G425 H426 F428 | V147-V173 HydrophobicContact CG1-CG1 4.06Å; V147-V173 HydrophobicContact CG2-CG1 4.4Å; L171-V173 HydrophobicContact CB-CG1 4.17Å; L171-V173 PolarHBondContact O-N 3.12Å; V173-K239 PolarHBondContact N-O 3.05Å; V173-V241 HydrophobicContact CB-CG2 4.43Å; V173-V241 HydrophobicContact CG1-CG2 3.74Å; V173-V241 HydrophobicContact CG2-CG1 3.98Å; V173-V241 HydrophobicContact CG2-CG2 3.78Å; V173-G425 CarbonylContact O-C 3.58Å; V173-G425 VanDerWaalsContact O-C 3.24Å; V173-G425 WeakPolarHBondContact O-CA 3.46Å; V173-H426 PolarHBondContact O-N 2.91Å; V173-F428 HydrophobicContact CG1-CD1 3.95Å; V173-F428 HydrophobicContact CG1-CE1 4.22Å |
| 174 | G | 98.8 | Very high | 98.8 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 19% | 0.186 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 14 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P172 K239 | P172-G174 PolarHBondContact O-N 3.4Å; G174-K239 PolarHBondContact N-O 2.65Å |
| 175 | A | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | trans | -73.1 | 154.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P172 D180 A181 L184 F423 | P172-A175 HydrophobicContact CB-CB 4.26Å; P172-A175 WeakPolarHBondContact O-CB 3.48Å; P172-A175 PolarHBondContact O-N 2.77Å; A175-D180 HydrophobicContact CB-CB 4.26Å; A175-A181 HydrophobicContact CB-CB 3.67Å; A175-L184 HydrophobicContact CB-CD2 4.3Å; A175-F423 HydrophobicContact CB-CE1 3.92Å; A175-F423 HydrophobicContact CB-CZ 4.24Å; A175-F423 WeakPolarHBondContact O-CD1 3.29Å; A175-F423 WeakPolarHBondContact O-CE1 3.28Å | ||
| 176 | E | 98.7 | Very high | 98.9 | Very high | 167 Ų | 167 | 28.4 Ų | 28.4 | 78% | 0.78 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -82.7 | -24 | -178.2 | -66.8 | 179.7 | -175.2 | 0 | 0 | 113.3 | D180 | E176-D180 PolarHBondContact N-OD2 2.82Å; E176-D180 VanDerWaalsContact N-OD2 3.15Å |
| 177 | S | 98.9 | Very high | 98.9 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 24% | 0.238 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -154 | 171.9 | -179.7 | 92.2 | 0 | 0 | 0 | 0 | 109.9 | R179 D180 A181 E414 | S177-R179 PolarHBondContact OG-N 3.49Å; S177-D180 PolarHBondContact O-N 3.38Å; S177-D180 PolarHBondContact OG-N 3.2Å; S177-A181 PolarHBondContact O-N 2.71Å; S177-E414 WeakPolarHBondContact CB-OE1 3.48Å; S177-E414 PolarHBondContact OG-OE1 3.03Å; S177-E414 PolarHBondContact OG-OE2 2.7Å |
| 178 | F | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 172.9 | -176.1 | -92.3 | 0 | 0 | 0 | 111.9 | L145 P146 P148 D180 A181 M182 Y407 L410 M411 E414 F423 | L145-F178 HydrophobicContact CB-CB 4.11Å; L145-F178 HydrophobicContact CD1-CB 4.21Å; L145-F178 HydrophobicContact CD1-CG 4.28Å; L145-F178 HydrophobicContact CG-CB 4.16Å; P146-F178 HydrophobicContact CG-CE2 4.31Å; P146-F178 VanDerWaalsContact O-CD2 3.23Å; P146-F178 WeakPolarHBondContact O-CD2 3.11Å; P148-F178 HydrophobicContact CB-CE2 4.12Å; P148-F178 HydrophobicContact CG-CE2 4Å; F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 2.97Å; F178-A181 WeakPolarHBondContact O-CB 3.34Å; F178-A181 PolarHBondContact O-N 3.19Å; F178-A181 VanDerWaalsContact O-N 3.13Å; F178-M182 HydrophobicContact CD1-CG 3.98Å; F178-M182 HydrophobicContact CE1-CG 3.39Å; F178-M182 HydrophobicContact CE1-SD 3.86Å; F178-M182 HydrophobicContact CZ-CG 3.84Å; F178-M182 HydrophobicContact CZ-SD 3.73Å; F178-M182 WeakPolarHBondContact O-CG 3.33Å; F178-M182 PolarHBondContact O-N 2.81Å; F178-Y407 WeakPolarHBondContact CE1-O 3.43Å; F178-Y407 HydrophobicContact CZ-CD1 4.08Å; F178-L410 HydrophobicContact CD1-CB 3.77Å; F178-L410 HydrophobicContact CD2-CB 4.37Å; F178-L410 HydrophobicContact CE1-CB 3.22Å; F178-L410 HydrophobicContact CE1-CD1 4.24Å; F178-L410 HydrophobicContact CE1-CG 4.34Å; F178-L410 HydrophobicContact CE2-CB 3.9Å; F178-L410 HydrophobicContact CE2-CD1 3.59Å; F178-L410 HydrophobicContact CE2-CG 4.3Å; F178-L410 HydrophobicContact CG-CB 4.32Å; F178-L410 HydrophobicContact CZ-CB 3.3Å; F178-L410 HydrophobicContact CZ-CD1 3.39Å; F178-L410 HydrophobicContact CZ-CG 3.96Å; F178-M411 HydrophobicContact CD1-CG 3.82Å; F178-M411 HydrophobicContact CE1-CG 3.83Å; F178-E414 WeakPolarHBondContact CA-OE1 3.17Å; F178-E414 VanDerWaalsContact CB-OE1 3.28Å; F178-E414 WeakPolarHBondContact CB-OE1 3.22Å; F178-E414 PolarHBondContact N-OE1 3.02Å; F178-F423 HydrophobicContact CB-CD2 4.21Å; F178-F423 HydrophobicContact CD2-CE2 4.45Å |
| 179 | R | 98.9 | Very high | 98.9 | Very high | 167 Ų | 167 | 32.3 Ų | 32.3 | 63% | 0.63 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -58.2 | -39.3 | 174 | 179.1 | 177.8 | 178.2 | 167.7 | 1.1 | 112.6 | S177 M182 R183 M411 E414 | S177-R179 PolarHBondContact OG-N 3.49Å; R179-M182 PolarHBondContact O-N 2.65Å; R179-R183 PolarHBondContact O-N 3.15Å; R179-R183 VanDerWaalsContact O-N 3.14Å; R179-M411 HydrophobicContact CG-SD 4.34Å; R179-E414 WeakPolarHBondContact CB-OE2 3.35Å; R179-E414 PolarHBondContact N-OE2 3.4Å |
| 180 | D | 98.9 | Very high | 98.9 | Very high | 19 Ų | 19 | 38 Ų | 38 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 174.5 | -170.6 | 45.1 | 0 | 0 | 0 | 111.5 | A175 E176 S177 F178 M182 R183 L184 | A175-D180 HydrophobicContact CB-CB 4.26Å; E176-D180 PolarHBondContact N-OD2 2.82Å; E176-D180 VanDerWaalsContact N-OD2 3.15Å; S177-D180 PolarHBondContact O-N 3.38Å; S177-D180 PolarHBondContact OG-N 3.2Å; F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 2.97Å; D180-M182 VanDerWaalsContact C-N 3.3Å; D180-M182 PolarHBondContact O-N 2.81Å; D180-R183 WeakPolarHBondContact O-CB 3.33Å; D180-R183 PolarHBondContact O-N 2.95Å; D180-R183 VanDerWaalsContact O-N 3.11Å; D180-R183 IonicContact OD1-CZ 2.72Å; D180-R183 VanDerWaalsContact OD1-CZ 3.24Å; D180-R183 IonicContact OD1-NE 3.73Å; D180-R183 PolarHBondContact OD1-NE 2.77Å; D180-R183 VanDerWaalsContact OD1-NE 3.08Å; D180-R183 IonicContact OD1-NH2 2.8Å; D180-R183 PolarHBondContact OD1-NH2 2.92Å; D180-L184 WeakPolarHBondContact O-CD1 3.15Å; D180-L184 PolarHBondContact O-N 2.85Å |
| 181 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P148 P172 A175 S177 F178 L184 G185 F423 | P148-A181 HydrophobicContact CG-CB 3.95Å; P172-A181 HydrophobicContact CB-CB 3.98Å; P172-A181 HydrophobicContact CG-CB 4.36Å; A175-A181 HydrophobicContact CB-CB 3.67Å; S177-A181 PolarHBondContact O-N 2.71Å; F178-A181 WeakPolarHBondContact O-CB 3.34Å; F178-A181 PolarHBondContact O-N 3.19Å; F178-A181 VanDerWaalsContact O-N 3.13Å; A181-L184 PolarHBondContact O-N 2.96Å; A181-G185 PolarHBondContact O-N 2.82Å; A181-F423 HydrophobicContact CB-CE2 4.07Å; A181-F423 HydrophobicContact CB-CZ 3.76Å |
| 182 | M | 98.9 | Very high | 98.9 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 173.3 | -74.8 | -56.3 | -47.7 | 0 | 0 | 112.5 | F150 F178 R179 D180 A186 Y407 M411 | F150-M182 HydrophobicContact CE1-CE 3.78Å; F150-M182 HydrophobicContact CE1-SD 3.59Å; F150-M182 VanDerWaalsContact CE1-SD 3.59Å; F150-M182 HydrophobicContact CZ-CE 3.97Å; F150-M182 HydrophobicContact CZ-SD 3.43Å; F150-M182 WeakPolarHBondContact CZ-SD 3.44Å; F178-M182 HydrophobicContact CD1-CG 3.98Å; F178-M182 HydrophobicContact CE1-CG 3.39Å; F178-M182 HydrophobicContact CE1-SD 3.86Å; F178-M182 HydrophobicContact CZ-CG 3.84Å; F178-M182 HydrophobicContact CZ-SD 3.73Å; F178-M182 WeakPolarHBondContact O-CG 3.33Å; F178-M182 PolarHBondContact O-N 2.81Å; R179-M182 PolarHBondContact O-N 2.65Å; D180-M182 VanDerWaalsContact C-N 3.3Å; D180-M182 PolarHBondContact O-N 2.81Å; M182-A186 WeakPolarHBondContact O-CB 3.46Å; M182-A186 PolarHBondContact O-N 2.67Å; M182-Y407 HydrophobicContact CE-CD1 4.37Å; M182-Y407 HydrophobicContact CE-CD2 4.16Å; M182-Y407 HydrophobicContact CE-CG 3.8Å; M182-Y407 VanDerWaalsContact SD-CB 3.58Å; M182-Y407 HydrophobicContact SD-CD1 3.64Å; M182-Y407 HydrophobicContact SD-CD2 4.47Å; M182-Y407 HydrophobicContact SD-CE1 4.43Å; M182-Y407 HydrophobicContact SD-CG 3.65Å; M182-M411 HydrophobicContact CB-SD 4.21Å; M182-M411 HydrophobicContact CG-CG 4.11Å; M182-M411 HydrophobicContact CG-SD 4.11Å |
| 183 | R | 98.9 | Very high | 98.9 | Very high | 127 Ų | 127 | 44.2 Ų | 44.2 | 48% | 0.479 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.2 | -53 | 175.5 | 176.5 | -176.5 | 67 | 150.9 | -0 | 111 | R179 D180 G185 A186 E187 | R179-R183 PolarHBondContact O-N 3.15Å; R179-R183 VanDerWaalsContact O-N 3.14Å; D180-R183 WeakPolarHBondContact O-CB 3.33Å; D180-R183 PolarHBondContact O-N 2.95Å; D180-R183 VanDerWaalsContact O-N 3.11Å; D180-R183 IonicContact OD1-CZ 2.72Å; D180-R183 VanDerWaalsContact OD1-CZ 3.24Å; D180-R183 IonicContact OD1-NE 3.73Å; D180-R183 PolarHBondContact OD1-NE 2.77Å; D180-R183 VanDerWaalsContact OD1-NE 3.08Å; D180-R183 IonicContact OD1-NH2 2.8Å; D180-R183 PolarHBondContact OD1-NH2 2.92Å; R183-G185 VanDerWaalsContact C-N 3.34Å; R183-G185 PolarHBondContact O-N 2.95Å; R183-A186 PolarHBondContact O-N 3.5Å; R183-E187 HydrophobicContact CG-CG 4.39Å; R183-E187 VanDerWaalsContact CG-OE1 3.28Å; R183-E187 WeakPolarHBondContact CG-OE1 2.86Å; R183-E187 WeakPolarHBondContact O-CG 3.47Å; R183-E187 PolarHBondContact O-N 2.96Å |
| 184 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.8 | -48.8 | -179.8 | -98.1 | 63.1 | 0 | 0 | 0 | 111.4 | P172 A175 D180 A181 A186 E187 V188 Y236 K239 I240 | P172-L184 HydrophobicContact CB-CB 4.04Å; P172-L184 HydrophobicContact CB-CD2 4.22Å; P172-L184 HydrophobicContact CG-CB 4.27Å; A175-L184 HydrophobicContact CB-CD2 4.3Å; D180-L184 WeakPolarHBondContact O-CD1 3.15Å; D180-L184 PolarHBondContact O-N 2.85Å; A181-L184 PolarHBondContact O-N 2.96Å; L184-A186 PolarHBondContact O-N 3.43Å; L184-E187 PolarHBondContact O-N 3.26Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 3.41Å; L184-Y236 HydrophobicContact CD1-CD1 4.47Å; L184-Y236 HydrophobicContact CD1-CE1 3.95Å; L184-Y236 HydrophobicContact CD1-CE2 4.46Å; L184-Y236 HydrophobicContact CD2-CD1 4.2Å; L184-Y236 HydrophobicContact CD2-CE1 4.48Å; L184-Y236 HydrophobicContact CD2-CG 4.44Å; L184-Y236 HydrophobicContact CG-CD1 3.98Å; L184-Y236 HydrophobicContact CG-CD2 4.13Å; L184-Y236 HydrophobicContact CG-CE1 3.91Å; L184-Y236 HydrophobicContact CG-CE2 4.07Å; L184-Y236 HydrophobicContact CG-CG 4.09Å; L184-K239 HydrophobicContact CD2-CB 3.99Å; L184-K239 HydrophobicContact CD2-CD 3.9Å; L184-I240 HydrophobicContact CB-CD1 4.07Å; L184-I240 HydrophobicContact CD2-CD1 4.41Å; L184-I240 HydrophobicContact CD2-CG1 4.34Å; L184-I240 HydrophobicContact CG-CD1 4.4Å |
| 185 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A181 R183 Y189 | A181-G185 PolarHBondContact O-N 2.82Å; R183-G185 VanDerWaalsContact C-N 3.34Å; R183-G185 PolarHBondContact O-N 2.95Å; G185-Y189 VanDerWaalsContact O-CB 3.31Å; G185-Y189 WeakPolarHBondContact O-CB 3.43Å; G185-Y189 PolarHBondContact O-N 3.27Å |
| 186 | A | 98.9 | Very high | 98.9 | Very high | 26 Ų | 26 | 43.9 Ų | 43.9 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | M182 R183 L184 Y189 H190 P398 | M182-A186 WeakPolarHBondContact O-CB 3.46Å; M182-A186 PolarHBondContact O-N 2.67Å; R183-A186 PolarHBondContact O-N 3.5Å; L184-A186 PolarHBondContact O-N 3.43Å; A186-Y189 PolarHBondContact O-N 3.27Å; A186-H190 PolarHBondContact O-N 2.82Å; A186-H190 PolarHBondContact O-ND1 3.44Å; A186-H190 VanDerWaalsContact O-ND1 3.15Å; A186-P398 HydrophobicContact CB-CB 4.3Å |
| 187 | E | 98.9 | Very high | 98.9 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 35% | 0.346 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 177.1 | -73.5 | 178.6 | -169 | 0 | 0 | 112.1 | R183 L184 H190 T191 Y236 | R183-E187 HydrophobicContact CG-CG 4.39Å; R183-E187 VanDerWaalsContact CG-OE1 3.28Å; R183-E187 WeakPolarHBondContact CG-OE1 2.86Å; R183-E187 WeakPolarHBondContact O-CG 3.47Å; R183-E187 PolarHBondContact O-N 2.96Å; L184-E187 PolarHBondContact O-N 3.26Å; E187-H190 PolarHBondContact O-N 2.94Å; E187-T191 WeakPolarHBondContact O-CB 3.18Å; E187-T191 PolarHBondContact O-N 3.02Å; E187-T191 PolarHBondContact O-OG1 2.95Å; E187-Y236 HydrophobicContact CB-CE2 4.09Å; E187-Y236 VanDerWaalsContact OE2-CE2 3.29Å; E187-Y236 WeakPolarHBondContact OE2-CE2 3.42Å; E187-Y236 VanDerWaalsContact OE2-CZ 3.3Å; E187-Y236 PolarHBondContact OE2-OH 2.86Å |
| 188 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 172 | 174 | 0 | 0 | 0 | 0 | 111 | I170 L184 H190 T191 L192 A230 I231 A234 Y236 I240 | I170-V188 HydrophobicContact CD1-CB 3.64Å; I170-V188 HydrophobicContact CD1-CG1 3.55Å; I170-V188 HydrophobicContact CD1-CG2 4.45Å; I170-V188 HydrophobicContact CG2-CG1 4.49Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 3.41Å; V188-H190 PolarHBondContact O-N 3.27Å; V188-T191 WeakPolarHBondContact O-CB 3.31Å; V188-T191 PolarHBondContact O-N 2.86Å; V188-T191 VanDerWaalsContact O-N 3.15Å; V188-L192 VanDerWaalsContact O-CB 3.31Å; V188-L192 WeakPolarHBondContact O-CB 3.24Å; V188-L192 PolarHBondContact O-N 2.86Å; V188-A230 HydrophobicContact CG1-CB 4.14Å; V188-I231 HydrophobicContact CG1-CG1 3.88Å; V188-I231 HydrophobicContact CG2-CG1 4.36Å; V188-A234 HydrophobicContact CG2-CB 3.79Å; V188-Y236 HydrophobicContact CG2-CD2 3.95Å; V188-I240 HydrophobicContact CB-CD1 4.48Å; V188-I240 HydrophobicContact CG2-CD1 3.4Å |
| 189 | Y | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | 178 | 177.2 | -98.7 | 0 | 0 | 0 | 112.4 | V152 G185 A186 T191 L192 K193 V207 G211 F213 A397 P398 C399 | V152-Y189 HydrophobicContact CB-CD2 4.1Å; V152-Y189 HydrophobicContact CG1-CD2 3.85Å; G185-Y189 VanDerWaalsContact O-CB 3.31Å; G185-Y189 WeakPolarHBondContact O-CB 3.43Å; G185-Y189 PolarHBondContact O-N 3.27Å; A186-Y189 PolarHBondContact O-N 3.27Å; Y189-T191 VanDerWaalsContact C-N 3.34Å; Y189-L192 PolarHBondContact O-N 3.17Å; Y189-K193 PolarHBondContact O-N 3.3Å; Y189-V207 WeakPolarHBondContact OH-CG1 3.17Å; Y189-G211 WeakPolarHBondContact CE2-O 3.39Å; Y189-G211 PolarHBondContact OH-O 3.43Å; Y189-F213 HydrophobicContact CD1-CE2 4.49Å; Y189-F213 HydrophobicContact CD1-CZ 4.28Å; Y189-F213 HydrophobicContact CD2-CD2 4.4Å; Y189-F213 AromaticContact CD2-CE2 3.68Å; Y189-F213 HydrophobicContact CD2-CE2 3.68Å; Y189-F213 HydrophobicContact CD2-CZ 4.13Å; Y189-F213 HydrophobicContact CE1-CE2 4.23Å; Y189-F213 AromaticContact CE1-CZ 3.7Å; Y189-F213 HydrophobicContact CE1-CZ 3.7Å; Y189-F213 AromaticContact CE2-CD2 3.99Å; Y189-F213 HydrophobicContact CE2-CD2 3.99Å; Y189-F213 HydrophobicContact CE2-CE1 4.32Å; Y189-F213 AromaticContact CE2-CE2 3.4Å; Y189-F213 HydrophobicContact CE2-CE2 3.4Å; Y189-F213 AromaticContact CE2-CZ 3.57Å; Y189-F213 HydrophobicContact CE2-CZ 3.57Å; Y189-F213 HydrophobicContact CG-CE2 4.23Å; Y189-F213 HydrophobicContact CG-CZ 4.47Å; Y189-F213 AromaticContact CZ-CE1 3.91Å; Y189-F213 AromaticContact CZ-CE2 3.7Å; Y189-F213 AromaticContact CZ-CZ 3.31Å; Y189-F213 WeakPolarHBondContact O-CE2 3.24Å; Y189-A397 HydrophobicContact CD2-CB 4.45Å; Y189-A397 HydrophobicContact CE2-CB 4.03Å; Y189-P398 HydrophobicContact CD1-CG 4.08Å; Y189-P398 HydrophobicContact CD2-CG 4.29Å; Y189-P398 HydrophobicContact CG-CG 3.73Å; Y189-C399 HydrophobicContact CE1-CB 3.96Å; Y189-C399 HydrophobicContact CE2-CB 4.47Å; Y189-C399 VanDerWaalsContact OH-CB 3.32Å; Y189-C399 WeakPolarHBondContact OH-CB 3.42Å; Y189-C399 PolarHBondContact OH-SG 2.83Å |
| 190 | H | 98.9 | Very high | 98.7 | Very high | 124 Ų | 124 | 46.5 Ų | 46.5 | 57% | 0.574 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.5 | -36.5 | 174.8 | -67.3 | 142 | 0 | 0 | 0 | 112.7 | A186 E187 V188 K193 G194 | A186-H190 PolarHBondContact O-N 2.82Å; A186-H190 PolarHBondContact O-ND1 3.44Å; A186-H190 VanDerWaalsContact O-ND1 3.15Å; E187-H190 PolarHBondContact O-N 2.94Å; V188-H190 PolarHBondContact O-N 3.27Å; H190-K193 WeakPolarHBondContact O-CB 3.34Å; H190-K193 PolarHBondContact O-N 2.97Å; H190-G194 PolarHBondContact O-N 3.39Å |
| 191 | T | 98.9 | Very high | 98.7 | Very high | 34 Ų | 34 | 47 Ų | 47 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | E187 V188 Y189 K193 G194 V195 A230 K233 A234 | E187-T191 WeakPolarHBondContact O-CB 3.18Å; E187-T191 PolarHBondContact O-N 3.02Å; E187-T191 PolarHBondContact O-OG1 2.95Å; V188-T191 WeakPolarHBondContact O-CB 3.31Å; V188-T191 PolarHBondContact O-N 2.86Å; V188-T191 VanDerWaalsContact O-N 3.15Å; Y189-T191 VanDerWaalsContact C-N 3.34Å; T191-K193 VanDerWaalsContact C-N 3.29Å; T191-K193 PolarHBondContact O-N 3.39Å; T191-G194 WeakPolarHBondContact O-CA 3.42Å; T191-G194 PolarHBondContact O-N 2.98Å; T191-V195 PolarHBondContact O-N 3.04Å; T191-A230 HydrophobicContact CG2-CB 4.42Å; T191-A230 WeakPolarHBondContact CG2-O 3.49Å; T191-K233 HydrophobicContact CG2-CB 3.74Å; T191-K233 HydrophobicContact CG2-CD 3.84Å; T191-K233 HydrophobicContact CG2-CG 3.75Å; T191-A234 HydrophobicContact CG2-CB 4.43Å |
| 192 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -40 | 176.2 | -179.9 | 62.9 | 0 | 0 | 0 | 111.7 | V152 I153 V188 Y189 G194 V195 I196 F213 L226 V227 A230 | V152-L192 HydrophobicContact CB-CD2 3.76Å; V152-L192 HydrophobicContact CG2-CD2 3.76Å; I153-L192 HydrophobicContact CD1-CD1 4.33Å; I153-L192 HydrophobicContact CD1-CD2 4.31Å; I153-L192 HydrophobicContact CG1-CD2 3.83Å; V188-L192 VanDerWaalsContact O-CB 3.31Å; V188-L192 WeakPolarHBondContact O-CB 3.24Å; V188-L192 PolarHBondContact O-N 2.86Å; Y189-L192 PolarHBondContact O-N 3.17Å; L192-G194 PolarHBondContact O-N 2.97Å; L192-V195 PolarHBondContact O-N 2.89Å; L192-I196 HydrophobicContact CD1-CD1 3.88Å; L192-I196 HydrophobicContact CD1-CG1 4Å; L192-I196 HydrophobicContact CD2-CD1 4.38Å; L192-I196 HydrophobicContact CG-CD1 3.78Å; L192-I196 HydrophobicContact CG-CG1 4.3Å; L192-I196 WeakPolarHBondContact O-CB 3.37Å; L192-I196 WeakPolarHBondContact O-CG1 3.24Å; L192-I196 PolarHBondContact O-N 3.33Å; L192-F213 HydrophobicContact CB-CE2 4.32Å; L192-F213 HydrophobicContact CD2-CD2 3.89Å; L192-F213 HydrophobicContact CD2-CE2 4.29Å; L192-F213 HydrophobicContact CG-CD2 3.96Å; L192-F213 HydrophobicContact CG-CE2 4.22Å; L192-L226 HydrophobicContact CD1-CB 4.06Å; L192-L226 WeakPolarHBondContact CD1-O 3.5Å; L192-V227 HydrophobicContact CD2-CG2 4.47Å; L192-A230 HydrophobicContact CB-CB 3.6Å; L192-A230 HydrophobicContact CD1-CB 3.83Å; L192-A230 HydrophobicContact CG-CB 4.3Å |
| 193 | K | 98.8 | Very high | 98.3 | Very high | 96 Ų | 96 | 58.8 Ų | 58.8 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.5 | -43 | 172.9 | -164.4 | 171.4 | -177.1 | 169.3 | 0 | 111.9 | Y189 H190 T191 K197 T205 F213 | Y189-K193 PolarHBondContact O-N 3.3Å; H190-K193 WeakPolarHBondContact O-CB 3.34Å; H190-K193 PolarHBondContact O-N 2.97Å; T191-K193 VanDerWaalsContact C-N 3.29Å; T191-K193 PolarHBondContact O-N 3.39Å; K193-K197 WeakPolarHBondContact O-CB 3.46Å; K193-K197 PolarHBondContact O-N 3.23Å; K193-T205 HydrophobicContact CG-CG2 4.05Å; K193-T205 WeakPolarHBondContact O-CG2 3.4Å; K193-F213 HydrophobicContact CB-CE1 3.97Å; K193-F213 HydrophobicContact CB-CE2 3.83Å; K193-F213 HydrophobicContact CB-CZ 3.34Å; K193-F213 HydrophobicContact CD-CE1 3.86Å; K193-F213 HydrophobicContact CD-CZ 3.84Å; K193-F213 HydrophobicContact CG-CE1 3.61Å; K193-F213 HydrophobicContact CG-CE2 4.4Å; K193-F213 HydrophobicContact CG-CZ 3.53Å |
| 194 | G | 98.7 | Very high | 98.2 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H190 T191 L192 I196 K197 D198 | H190-G194 PolarHBondContact O-N 3.39Å; T191-G194 WeakPolarHBondContact O-CA 3.42Å; T191-G194 PolarHBondContact O-N 2.98Å; L192-G194 PolarHBondContact O-N 2.97Å; G194-I196 PolarHBondContact O-N 3.03Å; G194-K197 WeakPolarHBondContact O-CB 3.41Å; G194-K197 PolarHBondContact O-N 2.77Å; G194-D198 WeakPolarHBondContact O-CB 3.4Å; G194-D198 PolarHBondContact O-N 2.96Å |
| 195 | V | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.4 | -50.4 | 178.1 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | T191 L192 K197 D198 K199 L226 E229 K233 | T191-V195 PolarHBondContact O-N 3.04Å; L192-V195 PolarHBondContact O-N 2.89Å; V195-K197 PolarHBondContact O-N 2.87Å; V195-D198 PolarHBondContact O-N 2.67Å; V195-K199 PolarHBondContact O-N 3.28Å; V195-L226 HydrophobicContact CG1-CD2 3.71Å; V195-E229 HydrophobicContact CG1-CB 4.5Å; V195-E229 HydrophobicContact CG1-CG 4.29Å; V195-E229 HydrophobicContact CG2-CG 4.37Å; V195-K233 HydrophobicContact CG2-CD 4.04Å |
| 196 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 178.3 | -67.2 | 172.9 | 0 | 0 | 0 | 111 | I153 L192 G194 D198 K199 Y200 A204 T205 F213 P215 L226 | I153-I196 HydrophobicContact CD1-CD1 4.38Å; I153-I196 HydrophobicContact CG1-CD1 4.44Å; L192-I196 HydrophobicContact CD1-CD1 3.88Å; L192-I196 HydrophobicContact CD1-CG1 4Å; L192-I196 HydrophobicContact CD2-CD1 4.38Å; L192-I196 HydrophobicContact CG-CD1 3.78Å; L192-I196 HydrophobicContact CG-CG1 4.3Å; L192-I196 WeakPolarHBondContact O-CB 3.37Å; L192-I196 WeakPolarHBondContact O-CG1 3.24Å; L192-I196 PolarHBondContact O-N 3.33Å; G194-I196 PolarHBondContact O-N 3.03Å; I196-D198 VanDerWaalsContact C-N 3.3Å; I196-D198 PolarHBondContact O-N 3.25Å; I196-K199 PolarHBondContact O-N 2.98Å; I196-Y200 WeakPolarHBondContact O-CA 3.45Å; I196-Y200 WeakPolarHBondContact O-CB 3.4Å; I196-Y200 PolarHBondContact O-N 3.02Å; I196-A204 HydrophobicContact CG2-CB 3.71Å; I196-A204 WeakPolarHBondContact CG2-O 3.15Å; I196-T205 HydrophobicContact CB-CG2 4.31Å; I196-T205 HydrophobicContact CG2-CG2 4.01Å; I196-F213 HydrophobicContact CD1-CB 3.51Å; I196-F213 HydrophobicContact CD1-CD2 3.74Å; I196-F213 HydrophobicContact CD1-CG 3.82Å; I196-P215 HydrophobicContact CD1-CG 4.33Å; I196-P215 HydrophobicContact CG2-CB 4.05Å; I196-L226 HydrophobicContact CG1-CD1 4.33Å; I196-L226 HydrophobicContact CG1-CD2 4.43Å |
| 197 | K | 98.5 | Very high | 98 | Very high | 114 Ų | 114 | 60.8 Ų | 60.8 | 50% | 0.496 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 178.5 | -176.5 | 176.9 | 174.9 | -169.8 | 0 | 112 | K193 G194 V195 G201 K202 T205 | K193-K197 WeakPolarHBondContact O-CB 3.46Å; K193-K197 PolarHBondContact O-N 3.23Å; G194-K197 WeakPolarHBondContact O-CB 3.41Å; G194-K197 PolarHBondContact O-N 2.77Å; V195-K197 PolarHBondContact O-N 2.87Å; K197-G201 CarbonylContact O-C 3.5Å; K197-G201 WeakPolarHBondContact O-CA 3.14Å; K197-G201 PolarHBondContact O-N 2.77Å; K197-K202 HydrophobicContact CG-CB 4.44Å; K197-T205 HydrophobicContact CB-CG2 3.75Å |
| 198 | D | 98.4 | Very high | 97.9 | Very high | 124 Ų | 124 | 57.7 Ų | 57.7 | 66% | 0.663 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.9 | -37.6 | -177.2 | -67.2 | -17.3 | 0 | 0 | 0 | 110.9 | G194 V195 I196 | G194-D198 WeakPolarHBondContact O-CB 3.4Å; G194-D198 PolarHBondContact O-N 2.96Å; V195-D198 PolarHBondContact O-N 2.67Å; I196-D198 VanDerWaalsContact C-N 3.3Å; I196-D198 PolarHBondContact O-N 3.25Å |
| 199 | K | 98.3 | Very high | 97.6 | Very high | 102 Ų | 102 | 59.9 Ų | 59.9 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -85.8 | -40.8 | -177.8 | -166.1 | 171.2 | -179.9 | -178 | 0 | 114.2 | V195 I196 E222 L226 | V195-K199 PolarHBondContact O-N 3.28Å; I196-K199 PolarHBondContact O-N 2.98Å; K199-E222 WeakPolarHBondContact CE-OE1 3.46Å; K199-E222 IonicContact NZ-OE1 2.94Å; K199-E222 PolarHBondContact NZ-OE1 2.99Å; K199-E222 IonicContact NZ-OE2 3.28Å; K199-E222 PolarHBondContact NZ-OE2 3.12Å; K199-E222 VanDerWaalsContact NZ-OE2 3.07Å; K199-L226 HydrophobicContact CD-CD2 4.07Å |
| 200 | Y | 97.5 | Very high | 97.5 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -118 | 0.3 | -171.2 | -64.8 | -71.8 | 0 | 0 | 0 | 114.3 | I196 I217 E222 L226 | I196-Y200 WeakPolarHBondContact O-CA 3.45Å; I196-Y200 WeakPolarHBondContact O-CB 3.4Å; I196-Y200 PolarHBondContact O-N 3.02Å; Y200-I217 HydrophobicContact CD1-CG2 4.42Å; Y200-I217 HydrophobicContact CE1-CG2 3.76Å; Y200-I217 HydrophobicContact CE2-CG2 3.86Å; Y200-I217 VanDerWaalsContact CZ-CG2 3.45Å; Y200-E222 VanDerWaalsContact OH-CG 3.28Å; Y200-E222 WeakPolarHBondContact OH-CG 3.49Å; Y200-E222 PolarHBondContact OH-OE1 3.05Å; Y200-L226 HydrophobicContact CE2-CD1 3.92Å; Y200-L226 HydrophobicContact CE2-CD2 4.13Å |
| 201 | G | 97.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 32% | 0.32 | 28% | 0.28 | S | S | . | . | trans | 84 | 166.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K197 D203 A204 | K197-G201 CarbonylContact O-C 3.5Å; K197-G201 WeakPolarHBondContact O-CA 3.14Å; K197-G201 PolarHBondContact O-N 2.77Å; G201-D203 PolarHBondContact O-N 2.81Å; G201-A204 WeakPolarHBondContact O-CB 3.45Å; G201-A204 PolarHBondContact O-N 2.85Å | ||
| 202 | K | 95.8 | Very high | 97.5 | Very high | 141 Ų | 141 | 52 Ų | 52 | 61% | 0.613 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -59.1 | -31.6 | -175.8 | 67.4 | 179.8 | -177 | 174.5 | 0 | 113.6 | K197 A204 T205 | K197-K202 HydrophobicContact CG-CB 4.44Å; K202-A204 PolarHBondContact O-N 2.85Å; K202-T205 PolarHBondContact O-N 3.36Å; K202-T205 PolarHBondContact O-OG1 2.95Å |
| 203 | D | 94.6 | Very high | 97.5 | Very high | 121 Ų | 121 | 52 Ų | 52 | 65% | 0.647 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -71.3 | -21.1 | -174.2 | -55.6 | -40.6 | 0 | 0 | 0 | 111.5 | G201 T205 N206 | G201-D203 PolarHBondContact O-N 2.81Å; D203-T205 PolarHBondContact O-N 3.46Å; D203-N206 PolarHBondContact O-ND2 2.81Å |
| 204 | A | 96.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -77.3 | -5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I196 G201 K202 P215 | I196-A204 HydrophobicContact CG2-CB 3.71Å; I196-A204 WeakPolarHBondContact CG2-O 3.15Å; G201-A204 WeakPolarHBondContact O-CB 3.45Å; G201-A204 PolarHBondContact O-N 2.85Å; K202-A204 PolarHBondContact O-N 2.85Å; A204-P215 HydrophobicContact CB-CB 4.24Å |
| 205 | T | 97.3 | Very high | 97.3 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -100 | 11.1 | -179.6 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | K193 I196 K197 K202 D203 F213 | K193-T205 HydrophobicContact CG-CG2 4.05Å; K193-T205 WeakPolarHBondContact O-CG2 3.4Å; I196-T205 HydrophobicContact CB-CG2 4.31Å; I196-T205 HydrophobicContact CG2-CG2 4.01Å; K197-T205 HydrophobicContact CB-CG2 3.75Å; K202-T205 PolarHBondContact O-N 3.36Å; K202-T205 PolarHBondContact O-OG1 2.95Å; D203-T205 PolarHBondContact O-N 3.46Å; T205-F213 WeakPolarHBondContact O-CD1 3.36Å |
| 206 | N | 97.8 | Very high | 97.1 | Very high | 111 Ų | 111 | 53 Ų | 53 | 59% | 0.594 | 28% | 0.277 | S | S | * | . | trans | -67.6 | 158.4 | 162.7 | -64.9 | -51.1 | 0 | 0 | 0 | 109.5 | D203 F213 A214 | D203-N206 PolarHBondContact O-ND2 2.81Å; N206-F213 WeakPolarHBondContact O-CA 3.19Å; N206-A214 PolarHBondContact O-N 3.45Å | ||
| 207 | V | 98.1 | Very high | 97 | Very high | 55 Ų | 55 | 53.3 Ų | 53.3 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -107.9 | 148.5 | -174.5 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | Y189 G211 G212 F213 | Y189-V207 WeakPolarHBondContact OH-CG1 3.17Å; V207-G211 VanDerWaalsContact CG1-O 3.24Å; V207-G211 WeakPolarHBondContact CG1-O 3.32Å; V207-G212 CarbonylContact C-O 3.5Å; V207-G212 WeakPolarHBondContact CA-O 3.47Å; V207-G212 WeakPolarHBondContact CB-O 3.39Å; V207-F213 HydrophobicContact CG1-CD1 4.2Å; V207-F213 HydrophobicContact CG1-CE1 4.26Å |
| 208 | G | 95.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | trans | -77.9 | -166.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H158 E210 G211 G212 | H158-G208 WeakPolarHBondContact O-CA 3.3Å; G208-E210 PolarHBondContact O-N 3.24Å; G208-G211 PolarHBondContact O-N 3.07Å; G208-G212 PolarHBondContact N-O 3.23Å | ||
| 209 | D | 93.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -30.6 | -177.3 | -79.5 | -8 | 0 | 0 | 0 | 113 | R15 H158 R400 R403 | R15-D209 VanDerWaalsContact CD-OD2 3.25Å; R15-D209 WeakPolarHBondContact CD-OD2 3.45Å; H158-D209 PolarHBondContact O-N 2.89Å; H158-D209 VanDerWaalsContact O-N 3.16Å; D209-R400 PolarHBondContact O-NE 3.05Å; D209-R403 PolarHBondContact O-NH2 3.31Å |
| 210 | E | 97.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 9.1 | -174.3 | -56.8 | -168.2 | 168.4 | 0 | 0 | 114.5 | N151 H158 G208 G212 H371 S373 A397 | N151-E210 PolarHBondContact ND2-OE2 2.97Å; H158-E210 IonicContact CE1-OE1 3.03Å; H158-E210 PolarHBondContact CE1-OE1 3.14Å; H158-E210 VanDerWaalsContact CE1-OE1 3.23Å; H158-E210 IonicContact ND1-OE1 3.47Å; G208-E210 PolarHBondContact O-N 3.24Å; E210-G212 VanDerWaalsContact C-N 3.33Å; E210-G212 PolarHBondContact O-N 3.44Å; E210-H371 IonicContact OE1-CE1 2.7Å; E210-H371 IonicContact OE1-NE2 3.6Å; E210-H371 PolarHBondContact OE1-NE2 3.02Å; E210-H371 IonicContact OE2-CE1 3.53Å; E210-H371 PolarHBondContact OE2-CE1 2.87Å; E210-H371 VanDerWaalsContact OE2-CE1 3.28Å; E210-H371 IonicContact OE2-NE2 2.83Å; E210-H371 PolarHBondContact OE2-NE2 3.43Å; E210-S373 WeakPolarHBondContact OE1-CA 3.44Å; E210-S373 WeakPolarHBondContact OE1-CB 3.41Å; E210-A397 WeakPolarHBondContact O-CB 3.35Å; E210-A397 PolarHBondContact O-N 2.67Å |
| 211 | G | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 87.3 | -6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y189 V207 G208 A397 | Y189-G211 WeakPolarHBondContact CE2-O 3.39Å; Y189-G211 PolarHBondContact OH-O 3.43Å; V207-G211 VanDerWaalsContact CG1-O 3.24Å; V207-G211 WeakPolarHBondContact CG1-O 3.32Å; G208-G211 PolarHBondContact O-N 3.07Å; G211-A397 WeakPolarHBondContact O-CB 3.47Å |
| 212 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -69.2 | 154.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N151 V152 N154 V207 G208 E210 | N151-G212 VanDerWaalsContact O-CA 3.29Å; N151-G212 WeakPolarHBondContact O-CA 3.23Å; V152-G212 CarbonylContact O-C 3.6Å; V152-G212 VanDerWaalsContact O-CA 3.31Å; V152-G212 WeakPolarHBondContact O-CA 3.31Å; N154-G212 WeakPolarHBondContact OD1-CA 3.45Å; N154-G212 PolarHBondContact OD1-N 2.66Å; N154-G212 PolarHBondContact OD1-O 2.89Å; N154-G212 VanDerWaalsContact OD1-O 3.14Å; V207-G212 CarbonylContact C-O 3.5Å; V207-G212 WeakPolarHBondContact CA-O 3.47Å; V207-G212 WeakPolarHBondContact CB-O 3.39Å; G208-G212 PolarHBondContact N-O 3.23Å; E210-G212 VanDerWaalsContact C-N 3.33Å; E210-G212 PolarHBondContact O-N 3.44Å | ||
| 213 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 148.4 | 177.4 | -60.9 | -64.2 | 0 | 0 | 0 | 111.3 | V152 I153 N154 Y189 L192 K193 I196 T205 N206 V207 P215 | V152-F213 PolarHBondContact O-N 3.26Å; I153-F213 CarbonylContact C-O 3.58Å; I153-F213 WeakPolarHBondContact CA-O 2.9Å; N154-F213 PolarHBondContact N-O 2.97Å; Y189-F213 HydrophobicContact CD1-CE2 4.49Å; Y189-F213 HydrophobicContact CD1-CZ 4.28Å; Y189-F213 HydrophobicContact CD2-CD2 4.4Å; Y189-F213 AromaticContact CD2-CE2 3.68Å; Y189-F213 HydrophobicContact CD2-CE2 3.68Å; Y189-F213 HydrophobicContact CD2-CZ 4.13Å; Y189-F213 HydrophobicContact CE1-CE2 4.23Å; Y189-F213 AromaticContact CE1-CZ 3.7Å; Y189-F213 HydrophobicContact CE1-CZ 3.7Å; Y189-F213 AromaticContact CE2-CD2 3.99Å; Y189-F213 HydrophobicContact CE2-CD2 3.99Å; Y189-F213 HydrophobicContact CE2-CE1 4.32Å; Y189-F213 AromaticContact CE2-CE2 3.4Å; Y189-F213 HydrophobicContact CE2-CE2 3.4Å; Y189-F213 AromaticContact CE2-CZ 3.57Å; Y189-F213 HydrophobicContact CE2-CZ 3.57Å; Y189-F213 HydrophobicContact CG-CE2 4.23Å; Y189-F213 HydrophobicContact CG-CZ 4.47Å; Y189-F213 AromaticContact CZ-CE1 3.91Å; Y189-F213 AromaticContact CZ-CE2 3.7Å; Y189-F213 AromaticContact CZ-CZ 3.31Å; Y189-F213 WeakPolarHBondContact O-CE2 3.24Å; L192-F213 HydrophobicContact CB-CE2 4.32Å; L192-F213 HydrophobicContact CD2-CD2 3.89Å; L192-F213 HydrophobicContact CD2-CE2 4.29Å; L192-F213 HydrophobicContact CG-CD2 3.96Å; L192-F213 HydrophobicContact CG-CE2 4.22Å; K193-F213 HydrophobicContact CB-CE1 3.97Å; K193-F213 HydrophobicContact CB-CE2 3.83Å; K193-F213 HydrophobicContact CB-CZ 3.34Å; K193-F213 HydrophobicContact CD-CE1 3.86Å; K193-F213 HydrophobicContact CD-CZ 3.84Å; K193-F213 HydrophobicContact CG-CE1 3.61Å; K193-F213 HydrophobicContact CG-CE2 4.4Å; K193-F213 HydrophobicContact CG-CZ 3.53Å; I196-F213 HydrophobicContact CD1-CB 3.51Å; I196-F213 HydrophobicContact CD1-CD2 3.74Å; I196-F213 HydrophobicContact CD1-CG 3.82Å; T205-F213 WeakPolarHBondContact O-CD1 3.36Å; N206-F213 WeakPolarHBondContact O-CA 3.19Å; V207-F213 HydrophobicContact CG1-CD1 4.2Å; V207-F213 HydrophobicContact CG1-CE1 4.26Å; F213-P215 WeakPolarHBondContact O-CD 3.27Å |
| 214 | A | 97.8 | Very high | 97.2 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 21% | 0.207 | 18% | 0.176 | C | C | . | . | trans | -116.6 | 63.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A159 N206 | A159-A214 HydrophobicContact CB-CB 3.78Å; N206-A214 PolarHBondContact O-N 3.45Å | ||
| 215 | P | 96.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -64.2 | 148.9 | 177.5 | 29.4 | -33.8 | 0 | 0 | 0 | 110.9 | I153 N161 I196 A204 F213 I217 | I153-P215 HydrophobicContact CG2-CG 4.11Å; N161-P215 WeakPolarHBondContact CB-O 3.48Å; N161-P215 PolarHBondContact ND2-O 3.28Å; I196-P215 HydrophobicContact CD1-CG 4.33Å; I196-P215 HydrophobicContact CG2-CB 4.05Å; A204-P215 HydrophobicContact CB-CB 4.24Å; F213-P215 WeakPolarHBondContact O-CD 3.27Å; P215-I217 HydrophobicContact CB-CG1 4.46Å; P215-I217 HydrophobicContact CB-CG2 4.34Å; P215-I217 HydrophobicContact CG-CD1 3.87Å; P215-I217 HydrophobicContact CG-CG1 4.03Å; P215-I217 PolarHBondContact O-N 2.85Å | ||
| 216 | N | 93.4 | Very high | 97.4 | Very high | 120 Ų | 120 | 33.7 Ų | 33.7 | 64% | 0.642 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -81.6 | 62.7 | 179.4 | -169.7 | 28.3 | 0 | 0 | 0 | 111.6 | ||
| 217 | I | 96.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | trans | -107.7 | 155.8 | 176.1 | 59.9 | 179.5 | 0 | 0 | 0 | 110 | K162 L163 Y200 P215 E222 A223 L226 | K162-I217 CarbonylContact C-O 3.58Å; L163-I217 WeakPolarHBondContact CA-O 3.06Å; L163-I217 HydrophobicContact CB-CG1 4.38Å; L163-I217 HydrophobicContact CD1-CD1 4.39Å; L163-I217 HydrophobicContact CD1-CG1 4.27Å; L163-I217 HydrophobicContact CD2-CD1 4.22Å; L163-I217 HydrophobicContact CD2-CG1 4.23Å; L163-I217 PolarHBondContact N-O 3.41Å; Y200-I217 HydrophobicContact CD1-CG2 4.42Å; Y200-I217 HydrophobicContact CE1-CG2 3.76Å; Y200-I217 HydrophobicContact CE2-CG2 3.86Å; Y200-I217 VanDerWaalsContact CZ-CG2 3.45Å; P215-I217 HydrophobicContact CB-CG1 4.46Å; P215-I217 HydrophobicContact CB-CG2 4.34Å; P215-I217 HydrophobicContact CG-CD1 3.87Å; P215-I217 HydrophobicContact CG-CG1 4.03Å; P215-I217 PolarHBondContact O-N 2.85Å; I217-E222 HydrophobicContact CB-CG 4.26Å; I217-E222 HydrophobicContact CD1-CG 4.21Å; I217-E222 HydrophobicContact CG2-CG 3.88Å; I217-A223 HydrophobicContact CD1-CB 3.73Å; I217-L226 HydrophobicContact CD1-CD1 4.09Å | ||
| 218 | L | 96.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 28.9 Ų | 28.9 | 30% | 0.304 | 15% | 0.152 | S | C | . | . | trans | -107.7 | -48.8 | 176.5 | 172.2 | 62.2 | 0 | 0 | 0 | 110.9 | K162 N220 D260 | K162-L218 HydrophobicContact CB-CB 4.11Å; K162-L218 HydrophobicContact CB-CD1 3.91Å; K162-L218 HydrophobicContact CD-CB 4.49Å; L218-N220 PolarHBondContact O-N 3.1Å; L218-D260 HydrophobicContact CD1-CB 3.72Å | ||
| 219 | E | 97.4 | Very high | 97.7 | Very high | 116 Ų | 116 | 32.2 Ų | 32.2 | 54% | 0.542 | 17% | 0.166 | S | C | . | . | trans | -69 | 127.3 | -176 | -61.2 | -60.8 | 158.6 | 0 | 0 | 111.7 | S221 E222 | E219-S221 VanDerWaalsContact C-N 3.28Å; E219-S221 PolarHBondContact O-N 3.42Å; E219-E222 HydrophobicContact CB-CB 4.11Å; E219-E222 WeakPolarHBondContact O-CB 3.48Å; E219-E222 PolarHBondContact O-N 3.15Å | ||
| 220 | N | 97.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.3 | -30.5 | 178.2 | -53.3 | -71.8 | 0 | 0 | 0 | 112 | L163 M165 F168 L218 E222 A223 L224 F283 | L163-N220 HydrophobicContact CD1-CB 4.38Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.19Å; M165-N220 WeakPolarHBondContact CB-OD1 3.28Å; M165-N220 HydrophobicContact CE-CB 4.02Å; M165-N220 HydrophobicContact CG-CB 4.32Å; M165-N220 VanDerWaalsContact CG-OD1 3.23Å; M165-N220 WeakPolarHBondContact CG-OD1 3.34Å; M165-N220 PolarHBondContact N-OD1 3.39Å; M165-N220 HydrophobicContact SD-CB 3.59Å; M165-N220 VanDerWaalsContact SD-CB 3.59Å; F168-N220 HydrophobicContact CE1-CB 4.37Å; F168-N220 WeakPolarHBondContact CE1-O 3.36Å; F168-N220 HydrophobicContact CZ-CB 3.99Å; L218-N220 PolarHBondContact O-N 3.1Å; N220-E222 VanDerWaalsContact C-N 3.31Å; N220-E222 PolarHBondContact O-N 2.89Å; N220-A223 WeakPolarHBondContact O-CB 3.38Å; N220-A223 PolarHBondContact O-N 3.05Å; N220-L224 PolarHBondContact O-N 2.97Å; N220-F283 HydrophobicContact CB-CE2 4Å; N220-F283 HydrophobicContact CB-CZ 3.92Å |
| 221 | S | 98.2 | Very high | 98 | Very high | 40 Ų | 40 | 30.1 Ų | 30.1 | 28% | 0.28 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.7 | -34.6 | 173.5 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | E219 A223 L224 E225 Y287 | E219-S221 VanDerWaalsContact C-N 3.28Å; E219-S221 PolarHBondContact O-N 3.42Å; S221-A223 VanDerWaalsContact C-N 3.31Å; S221-A223 PolarHBondContact O-N 3.29Å; S221-L224 PolarHBondContact O-N 2.85Å; S221-E225 PolarHBondContact O-N 3.19Å; S221-Y287 PolarHBondContact O-OH 3.41Å |
| 222 | E | 98.5 | Very high | 98 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 19% | 0.187 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -35.8 | 176.1 | 174.7 | 59.6 | -142 | 0 | 0 | 111.3 | K199 Y200 I217 E219 N220 E225 L226 | K199-E222 WeakPolarHBondContact CE-OE1 3.46Å; K199-E222 IonicContact NZ-OE1 2.94Å; K199-E222 PolarHBondContact NZ-OE1 2.99Å; K199-E222 IonicContact NZ-OE2 3.28Å; K199-E222 PolarHBondContact NZ-OE2 3.12Å; K199-E222 VanDerWaalsContact NZ-OE2 3.07Å; Y200-E222 VanDerWaalsContact OH-CG 3.28Å; Y200-E222 WeakPolarHBondContact OH-CG 3.49Å; Y200-E222 PolarHBondContact OH-OE1 3.05Å; I217-E222 HydrophobicContact CB-CG 4.26Å; I217-E222 HydrophobicContact CD1-CG 4.21Å; I217-E222 HydrophobicContact CG2-CG 3.88Å; E219-E222 HydrophobicContact CB-CB 4.11Å; E219-E222 WeakPolarHBondContact O-CB 3.48Å; E219-E222 PolarHBondContact O-N 3.15Å; N220-E222 VanDerWaalsContact C-N 3.31Å; N220-E222 PolarHBondContact O-N 2.89Å; E222-E225 PolarHBondContact O-N 3.38Å; E222-L226 HydrophobicContact CG-CD1 4.43Å; E222-L226 VanDerWaalsContact O-CG 3.24Å; E222-L226 WeakPolarHBondContact O-CG 3.43Å; E222-L226 PolarHBondContact O-N 2.76Å; E222-L226 WeakPolarHBondContact OE1-CG 3.35Å |
| 223 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I153 L163 F168 I217 N220 S221 L226 V227 | I153-A223 HydrophobicContact CD1-CB 4.25Å; I153-A223 HydrophobicContact CG2-CB 4.4Å; L163-A223 HydrophobicContact CD1-CB 4.23Å; L163-A223 HydrophobicContact CD2-CB 4.11Å; F168-A223 HydrophobicContact CD1-CB 3.72Å; F168-A223 HydrophobicContact CD2-CB 3.92Å; F168-A223 HydrophobicContact CE1-CB 3.57Å; F168-A223 HydrophobicContact CE2-CB 3.82Å; F168-A223 HydrophobicContact CG-CB 3.89Å; F168-A223 HydrophobicContact CZ-CB 3.62Å; I217-A223 HydrophobicContact CD1-CB 3.73Å; N220-A223 WeakPolarHBondContact O-CB 3.38Å; N220-A223 PolarHBondContact O-N 3.05Å; S221-A223 VanDerWaalsContact C-N 3.31Å; S221-A223 PolarHBondContact O-N 3.29Å; A223-L226 PolarHBondContact O-N 2.94Å; A223-V227 WeakPolarHBondContact O-CG2 3.47Å; A223-V227 PolarHBondContact O-N 3.46Å; A223-V227 VanDerWaalsContact O-N 3.08Å |
| 224 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 175.5 | -69.5 | 170.1 | 0 | 0 | 0 | 112.2 | F168 N220 S221 V227 K228 I242 M244 F283 Y287 V289 | F168-L224 HydrophobicContact CD1-CD2 3.86Å; F168-L224 HydrophobicContact CD1-CG 4.02Å; F168-L224 HydrophobicContact CE1-CD2 4.25Å; F168-L224 HydrophobicContact CE1-CG 3.98Å; N220-L224 PolarHBondContact O-N 2.97Å; S221-L224 PolarHBondContact O-N 2.85Å; L224-V227 PolarHBondContact O-N 3.38Å; L224-K228 VanDerWaalsContact O-CB 3.31Å; L224-K228 WeakPolarHBondContact O-CB 3.45Å; L224-K228 PolarHBondContact O-N 2.93Å; L224-I242 HydrophobicContact CD2-CD1 4.24Å; L224-I242 HydrophobicContact CD2-CG2 3.7Å; L224-M244 HydrophobicContact CD1-CE 4.43Å; L224-M244 HydrophobicContact CD1-SD 4.12Å; L224-M244 HydrophobicContact CD2-CG 4.31Å; L224-M244 HydrophobicContact CD2-SD 3.92Å; L224-M244 HydrophobicContact CG-SD 4.48Å; L224-F283 HydrophobicContact CD1-CB 3.83Å; L224-F283 HydrophobicContact CD1-CD1 3.86Å; L224-F283 HydrophobicContact CD1-CD2 3.73Å; L224-F283 HydrophobicContact CD1-CE1 4.34Å; L224-F283 HydrophobicContact CD1-CE2 4.21Å; L224-F283 HydrophobicContact CD1-CG 3.53Å; L224-Y287 HydrophobicContact CB-CD1 3.67Å; L224-Y287 HydrophobicContact CB-CD2 4.01Å; L224-Y287 HydrophobicContact CB-CE1 3.72Å; L224-Y287 HydrophobicContact CB-CE2 4.05Å; L224-Y287 HydrophobicContact CB-CG 3.83Å; L224-Y287 HydrophobicContact CD1-CD2 3.68Å; L224-Y287 HydrophobicContact CD1-CE2 3.94Å; L224-Y287 HydrophobicContact CD1-CG 4.15Å; L224-Y287 HydrophobicContact CG-CD2 4.41Å; L224-Y287 HydrophobicContact CG-CG 4.46Å; L224-V289 HydrophobicContact CD2-CG2 3.95Å |
| 225 | E | 98.8 | Very high | 98.1 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 34% | 0.341 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.8 | -174.1 | 60.7 | -164.6 | 0 | 0 | 111.7 | S221 E222 V227 K228 E229 Y287 | S221-E225 PolarHBondContact O-N 3.19Å; E222-E225 PolarHBondContact O-N 3.38Å; E225-V227 VanDerWaalsContact C-N 3.34Å; E225-V227 PolarHBondContact O-N 3.33Å; E225-K228 PolarHBondContact O-N 3Å; E225-E229 WeakPolarHBondContact O-CB 3.39Å; E225-E229 PolarHBondContact O-N 3.02Å; E225-Y287 HydrophobicContact CB-CE1 4.24Å; E225-Y287 WeakPolarHBondContact OE2-CE1 3.5Å |
| 226 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.5 | -71.3 | 166.9 | 0 | 0 | 0 | 112.3 | I153 L192 V195 I196 K199 Y200 I217 E222 A223 A230 | I153-L226 HydrophobicContact CD1-CB 4.06Å; I153-L226 HydrophobicContact CD1-CD1 4.27Å; L192-L226 HydrophobicContact CD1-CB 4.06Å; L192-L226 WeakPolarHBondContact CD1-O 3.5Å; V195-L226 HydrophobicContact CG1-CD2 3.71Å; I196-L226 HydrophobicContact CG1-CD1 4.33Å; I196-L226 HydrophobicContact CG1-CD2 4.43Å; K199-L226 HydrophobicContact CD-CD2 4.07Å; Y200-L226 HydrophobicContact CE2-CD1 3.92Å; Y200-L226 HydrophobicContact CE2-CD2 4.13Å; I217-L226 HydrophobicContact CD1-CD1 4.09Å; E222-L226 HydrophobicContact CG-CD1 4.43Å; E222-L226 VanDerWaalsContact O-CG 3.24Å; E222-L226 WeakPolarHBondContact O-CG 3.43Å; E222-L226 PolarHBondContact O-N 2.76Å; E222-L226 WeakPolarHBondContact OE1-CG 3.35Å; A223-L226 PolarHBondContact O-N 2.94Å; L226-A230 WeakPolarHBondContact O-CB 3.44Å; L226-A230 PolarHBondContact O-N 2.95Å |
| 227 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 177.9 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | V152 I153 F168 I170 L192 A223 L224 E225 A230 I231 I242 | V152-V227 HydrophobicContact CG2-CG2 3.96Å; I153-V227 HydrophobicContact CD1-CG2 3.75Å; I153-V227 HydrophobicContact CG1-CG2 4.08Å; F168-V227 HydrophobicContact CB-CG2 4.39Å; I170-V227 HydrophobicContact CG2-CG1 3.38Å; L192-V227 HydrophobicContact CD2-CG2 4.47Å; A223-V227 WeakPolarHBondContact O-CG2 3.47Å; A223-V227 PolarHBondContact O-N 3.46Å; A223-V227 VanDerWaalsContact O-N 3.08Å; L224-V227 PolarHBondContact O-N 3.38Å; E225-V227 VanDerWaalsContact C-N 3.34Å; E225-V227 PolarHBondContact O-N 3.33Å; V227-A230 PolarHBondContact O-N 3.47Å; V227-I231 HydrophobicContact CG1-CD1 3.88Å; V227-I231 HydrophobicContact CG1-CG1 4.49Å; V227-I231 WeakPolarHBondContact O-CG1 3.26Å; V227-I231 PolarHBondContact O-N 2.95Å; V227-I242 HydrophobicContact CB-CD1 4.28Å; V227-I242 HydrophobicContact CG1-CD1 3.76Å; V227-I242 HydrophobicContact CG1-CG1 3.89Å |
| 228 | K | 98.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 176.4 | -179.5 | -179.6 | 173.9 | -175.8 | 0 | 111.8 | L224 E225 A230 I231 D232 Y287 | L224-K228 VanDerWaalsContact O-CB 3.31Å; L224-K228 WeakPolarHBondContact O-CB 3.45Å; L224-K228 PolarHBondContact O-N 2.93Å; E225-K228 PolarHBondContact O-N 3Å; K228-A230 VanDerWaalsContact C-N 3.27Å; K228-A230 PolarHBondContact O-N 2.61Å; K228-I231 PolarHBondContact O-N 2.95Å; K228-D232 PolarHBondContact O-N 3.45Å; K228-Y287 HydrophobicContact CB-CD1 4.45Å; K228-Y287 HydrophobicContact CD-CD1 3.89Å; K228-Y287 HydrophobicContact CD-CE1 4.31Å |
| 229 | E | 98.8 | Very high | 98.6 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 176.1 | -174.4 | -175.8 | 159.2 | 0 | 0 | 111.4 | V195 E225 D232 K233 | V195-E229 HydrophobicContact CG1-CB 4.5Å; V195-E229 HydrophobicContact CG1-CG 4.29Å; V195-E229 HydrophobicContact CG2-CG 4.37Å; E225-E229 WeakPolarHBondContact O-CB 3.39Å; E225-E229 PolarHBondContact O-N 3.02Å; E229-D232 PolarHBondContact O-N 3.39Å; E229-K233 WeakPolarHBondContact O-CB 3.35Å; E229-K233 PolarHBondContact O-N 3.09Å |
| 230 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.5 | -40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | V188 T191 L192 L226 V227 K228 A234 | V188-A230 HydrophobicContact CG1-CB 4.14Å; T191-A230 HydrophobicContact CG2-CB 4.42Å; T191-A230 WeakPolarHBondContact CG2-O 3.49Å; L192-A230 HydrophobicContact CB-CB 3.6Å; L192-A230 HydrophobicContact CD1-CB 3.83Å; L192-A230 HydrophobicContact CG-CB 4.3Å; L226-A230 WeakPolarHBondContact O-CB 3.44Å; L226-A230 PolarHBondContact O-N 2.95Å; V227-A230 PolarHBondContact O-N 3.47Å; K228-A230 VanDerWaalsContact C-N 3.27Å; K228-A230 PolarHBondContact O-N 2.61Å; A230-A234 VanDerWaalsContact O-CB 3.26Å; A230-A234 WeakPolarHBondContact O-CB 3.31Å; A230-A234 PolarHBondContact O-N 2.8Å |
| 231 | I | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 174.3 | -68.9 | 164.9 | 0 | 0 | 0 | 110.1 | I170 V188 V227 K228 A234 G235 Y236 I240 I242 | I170-I231 HydrophobicContact CG2-CD1 4Å; I170-I231 HydrophobicContact CG2-CG1 4.35Å; V188-I231 HydrophobicContact CG1-CG1 3.88Å; V188-I231 HydrophobicContact CG2-CG1 4.36Å; V227-I231 HydrophobicContact CG1-CD1 3.88Å; V227-I231 HydrophobicContact CG1-CG1 4.49Å; V227-I231 WeakPolarHBondContact O-CG1 3.26Å; V227-I231 PolarHBondContact O-N 2.95Å; K228-I231 PolarHBondContact O-N 2.95Å; I231-A234 PolarHBondContact O-N 3.26Å; I231-G235 PolarHBondContact O-N 2.83Å; I231-Y236 PolarHBondContact O-N 2.83Å; I231-I240 HydrophobicContact CD1-CB 4.33Å; I231-I240 HydrophobicContact CD1-CG2 3.72Å; I231-I240 HydrophobicContact CG1-CB 4.32Å; I231-I240 HydrophobicContact CG1-CG2 3.92Å; I231-I240 HydrophobicContact CG2-CB 4.09Å; I231-I242 HydrophobicContact CD1-CD1 4.47Å; I231-I242 HydrophobicContact CD1-CG1 4.16Å |
| 232 | D | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.4 | -46.3 | -179.5 | -70.9 | -9.8 | 0 | 0 | 0 | 111.3 | K228 E229 A234 G235 T237 | K228-D232 PolarHBondContact O-N 3.45Å; E229-D232 PolarHBondContact O-N 3.39Å; D232-A234 VanDerWaalsContact C-N 3.29Å; D232-A234 PolarHBondContact O-N 3.09Å; D232-G235 WeakPolarHBondContact O-CA 3.46Å; D232-G235 PolarHBondContact O-N 3.37Å; D232-T237 WeakPolarHBondContact OD1-CB 3.45Å; D232-T237 VanDerWaalsContact OD1-CG2 3.32Å; D232-T237 WeakPolarHBondContact OD1-CG2 3.32Å; D232-T237 PolarHBondContact OD1-OG1 2.83Å |
| 233 | K | 98.8 | Very high | 98.8 | Very high | 125 Ų | 125 | 41.6 Ų | 41.6 | 54% | 0.543 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.8 | -28.9 | 179.2 | -174.2 | 174.1 | -178.8 | 178.1 | 0 | 113 | T191 V195 E229 G235 | T191-K233 HydrophobicContact CG2-CB 3.74Å; T191-K233 HydrophobicContact CG2-CD 3.84Å; T191-K233 HydrophobicContact CG2-CG 3.75Å; V195-K233 HydrophobicContact CG2-CD 4.04Å; E229-K233 WeakPolarHBondContact O-CB 3.35Å; E229-K233 PolarHBondContact O-N 3.09Å; K233-G235 VanDerWaalsContact C-N 3.26Å |
| 234 | A | 98.7 | Very high | 98.8 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -78 | -10.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V188 T191 A230 I231 D232 Y236 | V188-A234 HydrophobicContact CG2-CB 3.79Å; T191-A234 HydrophobicContact CG2-CB 4.43Å; A230-A234 VanDerWaalsContact O-CB 3.26Å; A230-A234 WeakPolarHBondContact O-CB 3.31Å; A230-A234 PolarHBondContact O-N 2.8Å; I231-A234 PolarHBondContact O-N 3.26Å; D232-A234 VanDerWaalsContact C-N 3.29Å; D232-A234 PolarHBondContact O-N 3.09Å; A234-Y236 HydrophobicContact CB-CD2 3.66Å; A234-Y236 HydrophobicContact CB-CE2 4.07Å; A234-Y236 WeakPolarHBondContact O-CE2 3.32Å |
| 235 | G | 98.7 | Very high | 98.8 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 62% | 0.619 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 26 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I231 D232 K233 | I231-G235 PolarHBondContact O-N 2.83Å; D232-G235 WeakPolarHBondContact O-CA 3.46Å; D232-G235 PolarHBondContact O-N 3.37Å; K233-G235 VanDerWaalsContact C-N 3.26Å |
| 236 | Y | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 14% | 0.137 | 20% | 0.202 | C | C | . | . | trans | -120.7 | 20.6 | -171.2 | -62 | -49.6 | 0 | 0 | 0 | 115.1 | L184 E187 V188 I231 A234 E238 K239 I240 | L184-Y236 HydrophobicContact CD1-CD1 4.47Å; L184-Y236 HydrophobicContact CD1-CE1 3.95Å; L184-Y236 HydrophobicContact CD1-CE2 4.46Å; L184-Y236 HydrophobicContact CD2-CD1 4.2Å; L184-Y236 HydrophobicContact CD2-CE1 4.48Å; L184-Y236 HydrophobicContact CD2-CG 4.44Å; L184-Y236 HydrophobicContact CG-CD1 3.98Å; L184-Y236 HydrophobicContact CG-CD2 4.13Å; L184-Y236 HydrophobicContact CG-CE1 3.91Å; L184-Y236 HydrophobicContact CG-CE2 4.07Å; L184-Y236 HydrophobicContact CG-CG 4.09Å; E187-Y236 HydrophobicContact CB-CE2 4.09Å; E187-Y236 VanDerWaalsContact OE2-CE2 3.29Å; E187-Y236 WeakPolarHBondContact OE2-CE2 3.42Å; E187-Y236 VanDerWaalsContact OE2-CZ 3.3Å; E187-Y236 PolarHBondContact OE2-OH 2.86Å; V188-Y236 HydrophobicContact CG2-CD2 3.95Å; I231-Y236 PolarHBondContact O-N 2.83Å; A234-Y236 HydrophobicContact CB-CD2 3.66Å; A234-Y236 HydrophobicContact CB-CE2 4.07Å; A234-Y236 WeakPolarHBondContact O-CE2 3.32Å; Y236-E238 VanDerWaalsContact C-N 3.26Å; Y236-E238 PolarHBondContact O-N 2.91Å; Y236-K239 HydrophobicContact CD1-CD 4.44Å; Y236-K239 PolarHBondContact O-N 2.95Å; Y236-I240 HydrophobicContact CD2-CD1 4.1Å; Y236-I240 HydrophobicContact CG-CD1 4.08Å; Y236-I240 PolarHBondContact O-N 3.35Å; Y236-I240 VanDerWaalsContact O-N 3.08Å | ||
| 237 | T | 98.6 | Very high | 98.8 | Very high | 72 Ų | 72 | 38.2 Ų | 38.2 | 44% | 0.442 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -42.9 | 179.9 | -46.5 | 0 | 0 | 0 | 0 | 113.4 | D232 K239 | D232-T237 WeakPolarHBondContact OD1-CB 3.45Å; D232-T237 VanDerWaalsContact OD1-CG2 3.32Å; D232-T237 WeakPolarHBondContact OD1-CG2 3.32Å; D232-T237 PolarHBondContact OD1-OG1 2.83Å; T237-K239 VanDerWaalsContact C-N 3.28Å; T237-K239 PolarHBondContact O-N 2.9Å |
| 238 | E | 98.4 | Very high | 98.7 | Very high | 172 Ų | 172 | 38.2 Ų | 38.2 | 80% | 0.804 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -6.3 | -178.3 | -58.8 | -58.7 | 140.4 | 0 | 0 | 113.9 | Y236 | Y236-E238 VanDerWaalsContact C-N 3.26Å; Y236-E238 PolarHBondContact O-N 2.91Å |
| 239 | K | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 35.8 Ų | 35.8 | 30% | 0.296 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -21.5 | -171.1 | -65.7 | -166.9 | 172.8 | -158.6 | 0 | 114.3 | P172 V173 G174 L184 Y236 T237 | P172-K239 CarbonylContact C-O 3.52Å; V173-K239 PolarHBondContact N-O 3.05Å; G174-K239 PolarHBondContact N-O 2.65Å; L184-K239 HydrophobicContact CD2-CB 3.99Å; L184-K239 HydrophobicContact CD2-CD 3.9Å; Y236-K239 HydrophobicContact CD1-CD 4.44Å; Y236-K239 PolarHBondContact O-N 2.95Å; T237-K239 VanDerWaalsContact C-N 3.28Å; T237-K239 PolarHBondContact O-N 2.9Å |
| 240 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | trans | -123 | 127.9 | -172.3 | -60.7 | 175.2 | 0 | 0 | 0 | 109.5 | I170 L171 P172 L184 V188 I231 Y236 | I170-I240 HydrophobicContact CB-CG2 3.68Å; I170-I240 HydrophobicContact CG2-CG2 4.18Å; L171-I240 WeakPolarHBondContact O-CA 3.45Å; P172-I240 HydrophobicContact CB-CG1 4.06Å; P172-I240 HydrophobicContact CG-CG1 4.29Å; L184-I240 HydrophobicContact CB-CD1 4.07Å; L184-I240 HydrophobicContact CD2-CD1 4.41Å; L184-I240 HydrophobicContact CD2-CG1 4.34Å; L184-I240 HydrophobicContact CG-CD1 4.4Å; V188-I240 HydrophobicContact CB-CD1 4.48Å; V188-I240 HydrophobicContact CG2-CD1 3.4Å; I231-I240 HydrophobicContact CD1-CB 4.33Å; I231-I240 HydrophobicContact CD1-CG2 3.72Å; I231-I240 HydrophobicContact CG1-CB 4.32Å; I231-I240 HydrophobicContact CG1-CG2 3.92Å; I231-I240 HydrophobicContact CG2-CB 4.09Å; Y236-I240 HydrophobicContact CD2-CD1 4.1Å; Y236-I240 HydrophobicContact CG-CD1 4.08Å; Y236-I240 PolarHBondContact O-N 3.35Å; Y236-I240 VanDerWaalsContact O-N 3.08Å | ||
| 241 | V | 98.9 | Very high | 98.6 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 16% | 0.158 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 172.3 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 110 | I170 L171 V173 P288 V290 | I170-V241 WeakPolarHBondContact CA-O 3.27Å; L171-V241 HydrophobicContact CB-CG2 3.85Å; L171-V241 PolarHBondContact N-O 3.13Å; L171-V241 PolarHBondContact O-N 3.32Å; V173-V241 HydrophobicContact CB-CG2 4.43Å; V173-V241 HydrophobicContact CG1-CG2 3.74Å; V173-V241 HydrophobicContact CG2-CG1 3.98Å; V173-V241 HydrophobicContact CG2-CG2 3.78Å; V241-P288 WeakPolarHBondContact CB-O 3.32Å; V241-P288 HydrophobicContact CG1-CB 4.48Å; V241-V290 HydrophobicContact CB-CG1 3.85Å; V241-V290 HydrophobicContact CB-CG2 3.92Å; V241-V290 HydrophobicContact CG1-CG1 4.04Å; V241-V290 HydrophobicContact CG2-CB 4.35Å; V241-V290 HydrophobicContact CG2-CG1 4.06Å; V241-V290 HydrophobicContact CG2-CG2 3.36Å |
| 242 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.9 | -175 | -62.8 | 173.4 | 0 | 0 | 0 | 110.7 | M169 L224 V227 I231 M244 P288 V289 V290 | M169-I242 CarbonylContact O-C 3.57Å; M169-I242 VanDerWaalsContact O-CA 3.29Å; M169-I242 WeakPolarHBondContact O-CA 3.34Å; M169-I242 WeakPolarHBondContact O-CG2 3.47Å; L224-I242 HydrophobicContact CD2-CD1 4.24Å; L224-I242 HydrophobicContact CD2-CG2 3.7Å; V227-I242 HydrophobicContact CB-CD1 4.28Å; V227-I242 HydrophobicContact CG1-CD1 3.76Å; V227-I242 HydrophobicContact CG1-CG1 3.89Å; I231-I242 HydrophobicContact CD1-CD1 4.47Å; I231-I242 HydrophobicContact CD1-CG1 4.16Å; I242-M244 HydrophobicContact CG2-CG 4.4Å; I242-P288 HydrophobicContact CD1-CG 4.12Å; I242-P288 HydrophobicContact CG1-CG 4.23Å; I242-P288 PolarHBondContact N-O 3.37Å; I242-V289 HydrophobicContact CB-CG2 4.11Å; I242-V289 HydrophobicContact CG2-CG2 3.96Å; I242-V289 CarbonylContact O-C 3.46Å; I242-V289 WeakPolarHBondContact O-CA 3.42Å; I242-V290 PolarHBondContact O-N 3.38Å |
| 243 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 156.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | M169 L171 S291 | M169-G243 WeakPolarHBondContact CA-O 3.3Å; M169-G243 PolarHBondContact N-O 2.76Å; M169-G243 PolarHBondContact O-N 3.35Å; L171-G243 VanDerWaalsContact CD1-N 3.34Å; G243-S291 CarbonylContact C-O 3.57Å; G243-S291 VanDerWaalsContact CA-O 3.29Å; G243-S291 WeakPolarHBondContact CA-O 3.47Å |
| 244 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.4 | 176.2 | -60.4 | 174.7 | 64.2 | 0 | 0 | 109.6 | M165 E167 F168 L224 I242 F283 V289 S291 I292 E293 | M165-M244 HydrophobicContact SD-CE 3.34Å; M165-M244 WeakPolarHBondContact SD-CE 3.34Å; E167-M244 WeakPolarHBondContact O-CA 3.19Å; F168-M244 HydrophobicContact CD1-CE 4.32Å; F168-M244 HydrophobicContact CE1-CE 3.75Å; F168-M244 HydrophobicContact CZ-CE 4.37Å; L224-M244 HydrophobicContact CD1-CE 4.43Å; L224-M244 HydrophobicContact CD1-SD 4.12Å; L224-M244 HydrophobicContact CD2-CG 4.31Å; L224-M244 HydrophobicContact CD2-SD 3.92Å; L224-M244 HydrophobicContact CG-SD 4.48Å; I242-M244 HydrophobicContact CG2-CG 4.4Å; M244-F283 HydrophobicContact CE-CD2 3.88Å; M244-F283 HydrophobicContact CE-CE2 4.1Å; M244-F283 HydrophobicContact SD-CD2 4.15Å; M244-V289 HydrophobicContact CG-CG1 4.45Å; M244-V289 HydrophobicContact SD-CG1 4.21Å; M244-V289 HydrophobicContact SD-CG2 4.1Å; M244-S291 PolarHBondContact N-O 3.31Å; M244-I292 HydrophobicContact CB-CG1 4.49Å; M244-I292 CarbonylContact O-C 3.38Å; M244-I292 WeakPolarHBondContact O-CA 3.45Å; M244-E293 PolarHBondContact O-N 3.39Å |
| 245 | D | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.9 | 155.7 | 166.7 | 24.8 | 0 | 0 | 0 | 107.7 | Q166 E167 M169 A247 E293 K394 | Q166-D245 PolarHBondContact N-O 3.03Å; Q166-D245 PolarHBondContact NE2-OD2 3.09Å; E167-D245 HydrophobicContact CB-CB 3.8Å; E167-D245 HydrophobicContact CG-CB 3.7Å; E167-D245 PolarHBondContact N-O 3.18Å; E167-D245 PolarHBondContact O-N 2.9Å; E167-D245 WeakPolarHBondContact OE2-CB 3.39Å; M169-D245 HydrophobicContact CE-CB 4.13Å; D245-A247 PolarHBondContact OD1-N 3.28Å; D245-E293 HydrophobicContact CB-CB 3.94Å; D245-E293 HydrophobicContact CB-CG 4.21Å; D245-E293 VanDerWaalsContact CG-OE1 3.31Å; D245-K394 IonicContact OD2-NZ 3.39Å |
| 246 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -81.3 | -37.9 | -178.3 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | M165 A248 F251 Y280 I292 E293 D294 | M165-V246 HydrophobicContact CG-CB 4.43Å; M165-V246 HydrophobicContact CG-CG1 4.11Å; M165-V246 HydrophobicContact CG-CG2 4.31Å; M165-V246 HydrophobicContact SD-CG2 4.14Å; V246-A248 VanDerWaalsContact C-N 3.35Å; V246-A248 HydrophobicContact CG1-CB 3.78Å; V246-F251 HydrophobicContact CG1-CE1 3.95Å; V246-F251 HydrophobicContact CG1-CZ 3.45Å; V246-F251 VanDerWaalsContact CG1-CZ 3.45Å; V246-F251 WeakPolarHBondContact O-CE1 3.46Å; V246-Y280 HydrophobicContact CG1-CE1 4.48Å; V246-Y280 WeakPolarHBondContact CG1-OH 3.33Å; V246-Y280 HydrophobicContact CG2-CE1 3.75Å; V246-I292 HydrophobicContact CG2-CG2 3.84Å; V246-E293 WeakPolarHBondContact CB-O 3.47Å; V246-E293 PolarHBondContact N-O 2.87Å; V246-D294 WeakPolarHBondContact CB-O 3.45Å | ||
| 247 | A | 98.1 | Very high | 98.2 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | trans | 49.8 | 50 | -169 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q166 D245 S249 E250 | Q166-A247 HydrophobicContact CB-CB 3.82Å; Q166-A247 HydrophobicContact CG-CB 4.4Å; D245-A247 PolarHBondContact OD1-N 3.28Å; A247-S249 PolarHBondContact O-N 2.84Å; A247-S249 VanDerWaalsContact O-N 3.1Å; A247-E250 HydrophobicContact CB-CG 4.26Å; A247-E250 WeakPolarHBondContact O-CB 3.23Å; A247-E250 PolarHBondContact O-N 3.42Å | ||
| 248 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -60.9 | -25.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V246 E250 F251 H252 Y257 D294 | V246-A248 VanDerWaalsContact C-N 3.35Å; V246-A248 HydrophobicContact CG1-CB 3.78Å; A248-E250 PolarHBondContact O-N 2.71Å; A248-F251 HydrophobicContact CB-CE1 4.47Å; A248-F251 HydrophobicContact CB-CE2 3.98Å; A248-F251 HydrophobicContact CB-CZ 3.85Å; A248-F251 CarbonylContact O-C 3.53Å; A248-F251 PolarHBondContact O-N 2.74Å; A248-F251 VanDerWaalsContact O-N 3.12Å; A248-H252 PolarHBondContact O-N 2.93Å; A248-Y257 HydrophobicContact CB-CD1 4.11Å; A248-Y257 HydrophobicContact CB-CE1 3.85Å; A248-D294 VanDerWaalsContact CB-O 3.23Å; A248-D294 WeakPolarHBondContact CB-O 3.33Å; A248-D294 PolarHBondContact N-O 3.45Å; A248-D294 VanDerWaalsContact N-O 3.12Å |
| 249 | S | 98.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -53.9 | -35 | 173.3 | -55 | 0 | 0 | 0 | 0 | 112.4 | A247 F251 H252 Q298 | A247-S249 PolarHBondContact O-N 2.84Å; A247-S249 VanDerWaalsContact O-N 3.1Å; S249-F251 PolarHBondContact O-N 2.87Å; S249-H252 PolarHBondContact O-N 2.78Å; S249-Q298 PolarHBondContact OG-N 2.77Å |
| 250 | E | 97.6 | Very high | 98.2 | Very high | 53 Ų | 53 | 27.3 Ų | 27.3 | 25% | 0.248 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -64.7 | -27.6 | -178.5 | -68 | -69 | 97.1 | 0 | 0 | 112.6 | S157 A247 A248 R253 | S157-E250 PolarHBondContact OG-OE2 2.86Å; A247-E250 HydrophobicContact CB-CG 4.26Å; A247-E250 WeakPolarHBondContact O-CB 3.23Å; A247-E250 PolarHBondContact O-N 3.42Å; A248-E250 PolarHBondContact O-N 2.71Å; E250-R253 VanDerWaalsContact O-CZ 3.28Å; E250-R253 PolarHBondContact O-NH1 3.35Å; E250-R253 PolarHBondContact O-NH2 3.5Å |
| 251 | F | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -120.7 | 12.8 | -178.8 | 58.7 | -104.2 | 0 | 0 | 0 | 114.2 | A164 V246 A248 S249 R253 Y257 D258 L259 F261 L276 | A164-F251 HydrophobicContact CB-CD1 4.37Å; A164-F251 HydrophobicContact CB-CE1 4.46Å; V246-F251 HydrophobicContact CG1-CE1 3.95Å; V246-F251 HydrophobicContact CG1-CZ 3.45Å; V246-F251 VanDerWaalsContact CG1-CZ 3.45Å; V246-F251 WeakPolarHBondContact O-CE1 3.46Å; A248-F251 HydrophobicContact CB-CE1 4.47Å; A248-F251 HydrophobicContact CB-CE2 3.98Å; A248-F251 HydrophobicContact CB-CZ 3.85Å; A248-F251 CarbonylContact O-C 3.53Å; A248-F251 PolarHBondContact O-N 2.74Å; A248-F251 VanDerWaalsContact O-N 3.12Å; S249-F251 PolarHBondContact O-N 2.87Å; F251-R253 PolarHBondContact O-N 2.87Å; F251-Y257 AromaticContact CD2-CD1 3.91Å; F251-Y257 HydrophobicContact CD2-CD1 3.91Å; F251-Y257 HydrophobicContact CD2-CG 4.42Å; F251-Y257 AromaticContact CE2-CD1 3.78Å; F251-Y257 HydrophobicContact CE2-CD1 3.78Å; F251-Y257 HydrophobicContact CE2-CG 4.29Å; F251-D258 WeakPolarHBondContact CB-O 3.36Å; F251-D258 PolarHBondContact O-N 2.77Å; F251-L259 HydrophobicContact CD2-CD2 4.41Å; F251-L259 HydrophobicContact CE2-CD2 3.84Å; F251-L259 HydrophobicContact CZ-CD2 4.09Å; F251-F261 HydrophobicContact CB-CB 3.72Å; F251-F261 HydrophobicContact CB-CD1 3.59Å; F251-F261 HydrophobicContact CB-CE1 4.29Å; F251-F261 HydrophobicContact CB-CG 3.7Å; F251-F261 HydrophobicContact CD1-CD1 4.21Å; F251-F261 HydrophobicContact CD1-CE1 4.23Å; F251-F261 HydrophobicContact CG-CD1 4.3Å; F251-L276 HydrophobicContact CE2-CD2 4.36Å |
| 252 | H | 98.3 | Very high | 98 | Very high | 47 Ų | 47 | 31 Ų | 31 | 22% | 0.218 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.4 | 169 | -179.6 | -123.1 | 0 | 0 | 0 | 110.2 | A248 S249 G255 K256 Y257 D297 | A248-H252 PolarHBondContact O-N 2.93Å; S249-H252 PolarHBondContact O-N 2.78Å; H252-G255 VanDerWaalsContact NE2-CA 3.31Å; H252-G255 WeakPolarHBondContact NE2-CA 3.46Å; H252-K256 CarbonylContact C-O 3.55Å; H252-K256 WeakPolarHBondContact CA-O 3.11Å; H252-K256 PolarHBondContact CD2-O 2.61Å; H252-Y257 HydrophobicContact CB-CD1 4.17Å; H252-Y257 HydrophobicContact CB-CE1 3.97Å; H252-Y257 AromaticContact CD2-CE1 3.77Å; H252-Y257 AromaticContact CD2-CZ 3.8Å; H252-D297 HydrophobicContact CB-CB 3.81Å; H252-D297 WeakPolarHBondContact CB-OD1 3.41Å; H252-D297 IonicContact CE1-OD1 3.29Å; H252-D297 IonicContact CE1-OD2 3.75Å; H252-D297 IonicContact CG-OD1 3.57Å; H252-D297 IonicContact ND1-OD1 3.33Å; H252-D297 PolarHBondContact ND1-OD1 3.43Å; H252-D297 IonicContact ND1-OD2 3.5Å |
| 253 | R | 97.5 | Very high | 97.8 | Very high | 86 Ų | 86 | 31.9 Ų | 31.9 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 120.7 | -175.5 | -59.9 | -64.5 | 179.3 | -87.9 | -5.7 | 109 | E250 F251 G255 K256 D258 Y270 | E250-R253 VanDerWaalsContact O-CZ 3.28Å; E250-R253 PolarHBondContact O-NH1 3.35Å; E250-R253 PolarHBondContact O-NH2 3.5Å; F251-R253 PolarHBondContact O-N 2.87Å; R253-G255 VanDerWaalsContact C-N 3.28Å; R253-G255 PolarHBondContact O-N 2.67Å; R253-K256 PolarHBondContact N-O 2.95Å; R253-K256 CarbonylContact O-C 3.59Å; R253-K256 WeakPolarHBondContact O-CA 3.29Å; R253-K256 PolarHBondContact O-N 3.04Å; R253-K256 VanDerWaalsContact O-O 3.1Å; R253-D258 HydrophobicContact CG-CB 4.36Å; R253-Y270 HydrophobicContact CB-CD2 4.03Å; R253-Y270 HydrophobicContact CB-CE2 3.46Å; R253-Y270 VanDerWaalsContact CB-CE2 3.46Å; R253-Y270 HydrophobicContact CG-CE2 4.2Å |
| 254 | D | 94.8 | Very high | 97.7 | Very high | 149 Ų | 149 | 37.4 Ų | 37.4 | 80% | 0.797 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 40 | 172.3 | -53.2 | -46.2 | 0 | 0 | 0 | 114.3 | K256 | D254-K256 VanDerWaalsContact C-N 3.3Å; D254-K256 PolarHBondContact O-N 3.22Å |
| 255 | G | 96.8 | Very high | 97.5 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 13.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H252 R253 | H252-G255 VanDerWaalsContact NE2-CA 3.31Å; H252-G255 WeakPolarHBondContact NE2-CA 3.46Å; R253-G255 VanDerWaalsContact C-N 3.28Å; R253-G255 PolarHBondContact O-N 2.67Å |
| 256 | K | 98.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 44.6 Ų | 44.6 | 37% | 0.365 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | -180 | 179.5 | -67.9 | -169.9 | 176.6 | -172 | 0 | 110.5 | H252 R253 D254 Y270 I271 | H252-K256 CarbonylContact C-O 3.55Å; H252-K256 WeakPolarHBondContact CA-O 3.11Å; H252-K256 PolarHBondContact CD2-O 2.61Å; R253-K256 PolarHBondContact N-O 2.95Å; R253-K256 CarbonylContact O-C 3.59Å; R253-K256 WeakPolarHBondContact O-CA 3.29Å; R253-K256 PolarHBondContact O-N 3.04Å; R253-K256 VanDerWaalsContact O-O 3.1Å; D254-K256 VanDerWaalsContact C-N 3.3Å; D254-K256 PolarHBondContact O-N 3.22Å; K256-Y270 HydrophobicContact CB-CD2 4.42Å; K256-I271 CarbonylContact C-O 3.56Å; K256-I271 WeakPolarHBondContact CA-O 3.2Å; K256-I271 VanDerWaalsContact CB-O 3.31Å; K256-I271 WeakPolarHBondContact CB-O 3.41Å |
| 257 | Y | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.7 | -174.4 | -61.8 | -85.9 | 0 | 0 | 0 | 111.5 | A248 F251 H252 Y270 I271 L276 F296 D297 D300 | A248-Y257 HydrophobicContact CB-CD1 4.11Å; A248-Y257 HydrophobicContact CB-CE1 3.85Å; F251-Y257 AromaticContact CD2-CD1 3.91Å; F251-Y257 HydrophobicContact CD2-CD1 3.91Å; F251-Y257 HydrophobicContact CD2-CG 4.42Å; F251-Y257 AromaticContact CE2-CD1 3.78Å; F251-Y257 HydrophobicContact CE2-CD1 3.78Å; F251-Y257 HydrophobicContact CE2-CG 4.29Å; H252-Y257 HydrophobicContact CB-CD1 4.17Å; H252-Y257 HydrophobicContact CB-CE1 3.97Å; H252-Y257 AromaticContact CD2-CE1 3.77Å; H252-Y257 AromaticContact CD2-CZ 3.8Å; Y257-Y270 WeakPolarHBondContact O-CA 3.49Å; Y257-I271 PolarHBondContact N-O 2.95Å; Y257-I271 PolarHBondContact O-N 3.08Å; Y257-L276 HydrophobicContact CD1-CD2 3.75Å; Y257-L276 HydrophobicContact CD2-CB 4.48Å; Y257-L276 HydrophobicContact CD2-CD2 3.7Å; Y257-L276 HydrophobicContact CE1-CD2 4.18Å; Y257-L276 HydrophobicContact CE2-CD2 4.16Å; Y257-L276 HydrophobicContact CG-CD2 3.49Å; Y257-L276 VanDerWaalsContact CG-CD2 3.49Å; Y257-F296 HydrophobicContact CE2-CD1 4.2Å; Y257-F296 WeakPolarHBondContact OH-CB 3.47Å; Y257-D297 HydrophobicContact CE1-CB 4.19Å; Y257-D297 PolarHBondContact OH-N 3.33Å; Y257-D300 WeakPolarHBondContact OH-CB 3.44Å; Y257-D300 PolarHBondContact OH-OD2 2.93Å |
| 258 | D | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | trans | -103.3 | 96.3 | 179.2 | -173.8 | 5.2 | 0 | 0 | 0 | 112.2 | F251 R253 D260 F261 R269 Y270 | F251-D258 WeakPolarHBondContact CB-O 3.36Å; F251-D258 PolarHBondContact O-N 2.77Å; R253-D258 HydrophobicContact CG-CB 4.36Å; D258-D260 PolarHBondContact O-N 2.82Å; D258-D260 PolarHBondContact OD1-N 2.85Å; D258-D260 VanDerWaalsContact OD1-N 3.07Å; D258-F261 HydrophobicContact CB-CB 4.12Å; D258-F261 WeakPolarHBondContact O-CB 3.29Å; D258-F261 PolarHBondContact O-N 3.26Å; D258-F261 VanDerWaalsContact O-N 3.17Å; D258-F261 WeakPolarHBondContact OD2-CA 3.4Å; D258-R269 IonicContact OD1-CZ 3.87Å; D258-R269 IonicContact OD1-NE 2.78Å; D258-R269 PolarHBondContact OD1-NE 2.55Å; D258-R269 IonicContact OD1-NH2 3.63Å; D258-R269 PolarHBondContact OD1-NH2 3.42Å; D258-R269 IonicContact OD2-CZ 2.77Å; D258-R269 IonicContact OD2-NE 2.79Å; D258-R269 PolarHBondContact OD2-NE 2.97Å; D258-R269 IonicContact OD2-NH2 3.59Å; D258-R269 PolarHBondContact OD2-NH2 2.9Å; D258-Y270 HydrophobicContact CB-CD1 3.62Å; D258-Y270 HydrophobicContact CB-CE1 3.51Å; D258-Y270 HydrophobicContact CB-CG 4.48Å; D258-Y270 VanDerWaalsContact OD2-CE1 3.29Å; D258-Y270 WeakPolarHBondContact OD2-CE1 3.45Å | ||
| 259 | L | 98.3 | Very high | 97.2 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 6.4 | 179.6 | -61.1 | -175.9 | 0 | 0 | 0 | 114.7 | A164 M165 F251 I271 L276 L279 | A164-L259 HydrophobicContact CB-CB 4.45Å; A164-L259 HydrophobicContact CB-CD2 4.46Å; A164-L259 WeakPolarHBondContact CB-O 3.49Å; M165-L259 HydrophobicContact CE-CD2 4.33Å; F251-L259 HydrophobicContact CD2-CD2 4.41Å; F251-L259 HydrophobicContact CE2-CD2 3.84Å; F251-L259 HydrophobicContact CZ-CD2 4.09Å; L259-I271 HydrophobicContact CD1-CD1 3.59Å; L259-I271 HydrophobicContact CG-CD1 3.99Å; L259-L276 HydrophobicContact CD1-CD1 4.48Å; L259-L276 HydrophobicContact CD2-CD1 4.04Å; L259-L279 HydrophobicContact CD1-CD2 3.68Å |
| 260 | D | 97.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | 35.2 | 170.6 | -173.1 | 21.8 | 0 | 0 | 0 | 110.9 | L218 D258 K262 S263 R269 | L218-D260 HydrophobicContact CD1-CB 3.72Å; D258-D260 PolarHBondContact O-N 2.82Å; D258-D260 PolarHBondContact OD1-N 2.85Å; D258-D260 VanDerWaalsContact OD1-N 3.07Å; D260-K262 PolarHBondContact O-N 3.44Å; D260-S263 VanDerWaalsContact CG-CB 3.48Å; D260-S263 WeakPolarHBondContact O-CB 3.29Å; D260-S263 PolarHBondContact O-N 2.92Å; D260-S263 VanDerWaalsContact OD1-CB 3.29Å; D260-S263 WeakPolarHBondContact OD1-CB 3.39Å; D260-S263 PolarHBondContact OD1-OG 2.94Å; D260-S263 VanDerWaalsContact OD2-CB 3.28Å; D260-S263 WeakPolarHBondContact OD2-CB 3.37Å; D260-S263 PolarHBondContact OD2-OG 3.45Å; D260-S263 VanDerWaalsContact OD2-OG 3.07Å; D260-R269 VanDerWaalsContact CG-NH1 3.3Å; D260-R269 PolarHBondContact O-NH2 2.98Å; D260-R269 IonicContact OD2-CZ 2.71Å; D260-R269 IonicContact OD2-NH1 3.24Å; D260-R269 PolarHBondContact OD2-NH1 3.12Å |
| 261 | F | 97.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 56.2 Ų | 56.2 | 16% | 0.158 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -17.4 | -173.5 | 80.1 | -82.9 | 0 | 0 | 0 | 116 | A164 F251 D258 | A164-F261 HydrophobicContact CB-CD1 4Å; A164-F261 HydrophobicContact CB-CE1 4.16Å; F251-F261 HydrophobicContact CB-CB 3.72Å; F251-F261 HydrophobicContact CB-CD1 3.59Å; F251-F261 HydrophobicContact CB-CE1 4.29Å; F251-F261 HydrophobicContact CB-CG 3.7Å; F251-F261 HydrophobicContact CD1-CD1 4.21Å; F251-F261 HydrophobicContact CD1-CE1 4.23Å; F251-F261 HydrophobicContact CG-CD1 4.3Å; D258-F261 HydrophobicContact CB-CB 4.12Å; D258-F261 WeakPolarHBondContact O-CB 3.29Å; D258-F261 PolarHBondContact O-N 3.26Å; D258-F261 VanDerWaalsContact O-N 3.17Å; D258-F261 WeakPolarHBondContact OD2-CA 3.4Å |
| 262 | K | 96.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 30% | 0.296 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.2 | 176.4 | -68.9 | -176.4 | -77.8 | -174.9 | 0 | 113.1 | G156 A159 N161 K162 L163 D260 | G156-K262 WeakPolarHBondContact O-CD 3.47Å; G156-K262 WeakPolarHBondContact O-CE 3.29Å; G156-K262 PolarHBondContact O-NZ 2.96Å; A159-K262 PolarHBondContact O-NZ 3.28Å; N161-K262 VanDerWaalsContact O-CD 3.3Å; N161-K262 WeakPolarHBondContact O-CD 3.33Å; N161-K262 WeakPolarHBondContact O-CE 3.43Å; N161-K262 PolarHBondContact O-NZ 3.11Å; N161-K262 PolarHBondContact OD1-NZ 2.92Å; K162-K262 WeakPolarHBondContact O-CE 3.2Å; L163-K262 WeakPolarHBondContact O-CE 3.44Å; L163-K262 PolarHBondContact O-NZ 3.46Å; D260-K262 PolarHBondContact O-N 3.44Å |
| 263 | S | 95.9 | Very high | 97.3 | Very high | 20 Ų | 20 | 57 Ų | 57 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -87.1 | 162.6 | 168.3 | -64.8 | 0 | 0 | 0 | 0 | 110.5 | D260 A265 | D260-S263 VanDerWaalsContact CG-CB 3.48Å; D260-S263 WeakPolarHBondContact O-CB 3.29Å; D260-S263 PolarHBondContact O-N 2.92Å; D260-S263 VanDerWaalsContact OD1-CB 3.29Å; D260-S263 WeakPolarHBondContact OD1-CB 3.39Å; D260-S263 PolarHBondContact OD1-OG 2.94Å; D260-S263 VanDerWaalsContact OD2-CB 3.28Å; D260-S263 WeakPolarHBondContact OD2-CB 3.37Å; D260-S263 PolarHBondContact OD2-OG 3.45Å; D260-S263 VanDerWaalsContact OD2-OG 3.07Å; S263-A265 PolarHBondContact O-N 3.35Å |
| 264 | P | 96.5 | Very high | 97.4 | Very high | 116 Ų | 116 | 57.1 Ų | 57.1 | 75% | 0.753 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -49.5 | 136.9 | 175.1 | -27.6 | 35.5 | 0 | 0 | 0 | 112.2 | D266 R269 | P264-D266 PolarHBondContact O-N 3.3Å; P264-R269 PolarHBondContact O-NH2 3.17Å |
| 265 | A | 94.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 55 Ų | 55 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 130.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S263 | S263-A265 PolarHBondContact O-N 3.35Š|
| 266 | D | 97.2 | Very high | 97.7 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | trans | -138.8 | 99.5 | 175.4 | -179.2 | -5.6 | 0 | 0 | 0 | 109.3 | P264 S268 R269 Y270 | P264-D266 PolarHBondContact O-N 3.3Å; D266-S268 VanDerWaalsContact CG-OG 3.26Å; D266-S268 PolarHBondContact O-N 2.81Å; D266-S268 VanDerWaalsContact OD1-CB 3.3Å; D266-S268 WeakPolarHBondContact OD1-CB 3.46Å; D266-S268 PolarHBondContact OD1-N 3.32Å; D266-S268 PolarHBondContact OD1-OG 3.08Å; D266-S268 PolarHBondContact OD2-OG 2.91Å; D266-R269 WeakPolarHBondContact O-CG 3.36Å; D266-R269 PolarHBondContact O-N 2.84Å; D266-Y270 WeakPolarHBondContact O-CD1 3.4Å; D266-Y270 WeakPolarHBondContact O-CE1 3.48Å | ||
| 267 | P | 96.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -62 | -14.7 | -178.3 | -25.9 | 35.7 | 0 | 0 | 0 | 115 | R269 Y270 | P267-R269 VanDerWaalsContact C-N 3.33Å; P267-Y270 HydrophobicContact CB-CD2 4.24Å; P267-Y270 HydrophobicContact CB-CE2 4.06Å; P267-Y270 HydrophobicContact CG-CE2 4.34Å; P267-Y270 PolarHBondContact O-N 2.73Å |
| 268 | S | 97.5 | Very high | 97.7 | Very high | 100 Ų | 100 | 52.3 Ų | 52.3 | 70% | 0.699 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -73.1 | -23.5 | -178.4 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | D266 | D266-S268 VanDerWaalsContact CG-OG 3.26Å; D266-S268 PolarHBondContact O-N 2.81Å; D266-S268 VanDerWaalsContact OD1-CB 3.3Å; D266-S268 WeakPolarHBondContact OD1-CB 3.46Å; D266-S268 PolarHBondContact OD1-N 3.32Å; D266-S268 PolarHBondContact OD1-OG 3.08Å; D266-S268 PolarHBondContact OD2-OG 2.91Å |
| 269 | R | 96.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -89.5 | -5.7 | 175.7 | 74.4 | -172.1 | 175.4 | -163.4 | -4.2 | 113.8 | D258 D260 P264 D266 P267 I271 | D258-R269 IonicContact OD1-CZ 3.87Å; D258-R269 IonicContact OD1-NE 2.78Å; D258-R269 PolarHBondContact OD1-NE 2.55Å; D258-R269 IonicContact OD1-NH2 3.63Å; D258-R269 PolarHBondContact OD1-NH2 3.42Å; D258-R269 IonicContact OD2-CZ 2.77Å; D258-R269 IonicContact OD2-NE 2.79Å; D258-R269 PolarHBondContact OD2-NE 2.97Å; D258-R269 IonicContact OD2-NH2 3.59Å; D258-R269 PolarHBondContact OD2-NH2 2.9Å; D260-R269 VanDerWaalsContact CG-NH1 3.3Å; D260-R269 PolarHBondContact O-NH2 2.98Å; D260-R269 IonicContact OD2-CZ 2.71Å; D260-R269 IonicContact OD2-NH1 3.24Å; D260-R269 PolarHBondContact OD2-NH1 3.12Å; P264-R269 PolarHBondContact O-NH2 3.17Å; D266-R269 WeakPolarHBondContact O-CG 3.36Å; D266-R269 PolarHBondContact O-N 2.84Å; P267-R269 VanDerWaalsContact C-N 3.33Å; R269-I271 PolarHBondContact O-N 2.96Å |
| 270 | Y | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 52.7 Ų | 52.7 | 9% | 0.09 | 31% | 0.307 | C | S | . | . | trans | -68.2 | 132.6 | -177.2 | -64.3 | 0.8 | 0 | 0 | 0 | 110.7 | R253 K256 Y257 D258 D266 P267 | R253-Y270 HydrophobicContact CB-CD2 4.03Å; R253-Y270 HydrophobicContact CB-CE2 3.46Å; R253-Y270 VanDerWaalsContact CB-CE2 3.46Å; R253-Y270 HydrophobicContact CG-CE2 4.2Å; K256-Y270 HydrophobicContact CB-CD2 4.42Å; Y257-Y270 WeakPolarHBondContact O-CA 3.49Å; D258-Y270 HydrophobicContact CB-CD1 3.62Å; D258-Y270 HydrophobicContact CB-CE1 3.51Å; D258-Y270 HydrophobicContact CB-CG 4.48Å; D258-Y270 VanDerWaalsContact OD2-CE1 3.29Å; D258-Y270 WeakPolarHBondContact OD2-CE1 3.45Å; D266-Y270 WeakPolarHBondContact O-CD1 3.4Å; D266-Y270 WeakPolarHBondContact O-CE1 3.48Å; P267-Y270 HydrophobicContact CB-CD2 4.24Å; P267-Y270 HydrophobicContact CB-CE2 4.06Å; P267-Y270 HydrophobicContact CG-CE2 4.34Å; P267-Y270 PolarHBondContact O-N 2.73Å | ||
| 271 | I | 98.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -105.6 | 152.5 | 179.9 | 64.8 | 172.1 | 0 | 0 | 0 | 111.1 | K256 Y257 L259 R269 Q275 L276 | K256-I271 CarbonylContact C-O 3.56Å; K256-I271 WeakPolarHBondContact CA-O 3.2Å; K256-I271 VanDerWaalsContact CB-O 3.31Å; K256-I271 WeakPolarHBondContact CB-O 3.41Å; Y257-I271 PolarHBondContact N-O 2.95Å; Y257-I271 PolarHBondContact O-N 3.08Å; L259-I271 HydrophobicContact CD1-CD1 3.59Å; L259-I271 HydrophobicContact CG-CD1 3.99Å; R269-I271 PolarHBondContact O-N 2.96Å; I271-Q275 HydrophobicContact CB-CB 3.97Å; I271-L276 HydrophobicContact CD1-CB 3.96Å; I271-L276 HydrophobicContact CD1-CD1 3.93Å; I271-L276 HydrophobicContact CG1-CB 4.42Å |
| 272 | T | 98.8 | Very high | 97.8 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 32% | 0.319 | 33% | 0.326 | S | S | . | . | trans | -77.8 | 164 | 177.5 | 65.7 | 0 | 0 | 0 | 0 | 111.6 | D274 Q275 L276 | T272-D274 PolarHBondContact O-N 3.01Å; T272-Q275 PolarHBondContact O-N 2.99Å; T272-Q275 VanDerWaalsContact O-N 3.11Å; T272-Q275 WeakPolarHBondContact OG1-CG 3.38Å; T272-Q275 PolarHBondContact OG1-N 2.83Å; T272-Q275 PolarHBondContact OG1-OE1 2.81Å; T272-L276 WeakPolarHBondContact O-CB 3.27Å; T272-L276 PolarHBondContact O-N 2.83Å | ||
| 273 | G | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.9 | -35.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | L276 G277 F296 | G273-L276 PolarHBondContact O-N 3.34Å; G273-G277 PolarHBondContact O-N 3.26Å; G273-F296 WeakPolarHBondContact O-CE1 3.44Å |
| 274 | D | 98.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 175.5 | -80.1 | 2.3 | 0 | 0 | 0 | 113.2 | T272 T278 K306 | T272-D274 PolarHBondContact O-N 3.01Å; D274-T278 PolarHBondContact O-N 3.21Å; D274-T278 PolarHBondContact O-OG1 2.63Å; D274-K306 IonicContact OD1-NZ 2.65Å; D274-K306 PolarHBondContact OD1-NZ 3.36Å; D274-K306 IonicContact OD2-NZ 3.73Å; D274-K306 PolarHBondContact OD2-NZ 2.95Å |
| 275 | Q | 98.8 | Very high | 98.2 | Very high | 103 Ų | 103 | 56.6 Ų | 56.6 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 176.3 | -71.1 | 174 | -53.5 | 0 | 0 | 110.9 | I271 T272 T278 L279 | I271-Q275 HydrophobicContact CB-CB 3.97Å; T272-Q275 PolarHBondContact O-N 2.99Å; T272-Q275 VanDerWaalsContact O-N 3.11Å; T272-Q275 WeakPolarHBondContact OG1-CG 3.38Å; T272-Q275 PolarHBondContact OG1-N 2.83Å; T272-Q275 PolarHBondContact OG1-OE1 2.81Å; Q275-T278 WeakPolarHBondContact O-CB 3.45Å; Q275-T278 PolarHBondContact O-N 2.76Å; Q275-L279 PolarHBondContact O-N 2.9Å |
| 276 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -43 | 176.9 | -175.4 | 61.2 | 0 | 0 | 0 | 111.5 | M165 F251 Y257 L259 I271 T272 G273 T278 L279 Y280 P295 F296 | M165-L276 HydrophobicContact CE-CD1 4.43Å; F251-L276 HydrophobicContact CE2-CD2 4.36Å; Y257-L276 HydrophobicContact CD1-CD2 3.75Å; Y257-L276 HydrophobicContact CD2-CB 4.48Å; Y257-L276 HydrophobicContact CD2-CD2 3.7Å; Y257-L276 HydrophobicContact CE1-CD2 4.18Å; Y257-L276 HydrophobicContact CE2-CD2 4.16Å; Y257-L276 HydrophobicContact CG-CD2 3.49Å; Y257-L276 VanDerWaalsContact CG-CD2 3.49Å; L259-L276 HydrophobicContact CD1-CD1 4.48Å; L259-L276 HydrophobicContact CD2-CD1 4.04Å; I271-L276 HydrophobicContact CD1-CB 3.96Å; I271-L276 HydrophobicContact CD1-CD1 3.93Å; I271-L276 HydrophobicContact CG1-CB 4.42Å; T272-L276 WeakPolarHBondContact O-CB 3.27Å; T272-L276 PolarHBondContact O-N 2.83Å; G273-L276 PolarHBondContact O-N 3.34Å; L276-T278 VanDerWaalsContact C-N 3.31Å; L276-T278 PolarHBondContact O-N 2.89Å; L276-L279 HydrophobicContact CD1-CD2 4.34Å; L276-L279 WeakPolarHBondContact O-CB 3.41Å; L276-L279 PolarHBondContact O-N 3.2Å; L276-L279 VanDerWaalsContact O-N 3.15Å; L276-Y280 HydrophobicContact CD1-CE1 4.07Å; L276-Y280 HydrophobicContact CD1-CE2 4.03Å; L276-Y280 VanDerWaalsContact CD1-OH 3.28Å; L276-Y280 WeakPolarHBondContact CD1-OH 3.39Å; L276-Y280 HydrophobicContact CD2-CE2 4.08Å; L276-Y280 WeakPolarHBondContact CD2-OH 3.44Å; L276-Y280 HydrophobicContact CG-CD2 4.38Å; L276-Y280 HydrophobicContact CG-CE1 4.44Å; L276-Y280 HydrophobicContact CG-CE2 3.49Å; L276-Y280 VanDerWaalsContact CG-CE2 3.49Å; L276-Y280 VanDerWaalsContact CG-OH 3.31Å; L276-Y280 WeakPolarHBondContact CG-OH 3.36Å; L276-Y280 VanDerWaalsContact O-CD2 3.27Å; L276-Y280 WeakPolarHBondContact O-CD2 3.43Å; L276-Y280 PolarHBondContact O-N 3.35Å; L276-P295 WeakPolarHBondContact CD2-O 3.4Å; L276-F296 HydrophobicContact CB-CE1 4.35Å; L276-F296 HydrophobicContact CD2-CD1 4.23Å; L276-F296 HydrophobicContact CD2-CE1 4.28Å; L276-F296 HydrophobicContact CG-CE1 4.38Å |
| 277 | G | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -39 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | G273 Y280 Q281 F307 | G273-G277 PolarHBondContact O-N 3.26Å; G277-Y280 PolarHBondContact O-N 3.13Å; G277-Q281 WeakPolarHBondContact O-CG 3.46Å; G277-Q281 PolarHBondContact O-N 2.79Å; G277-F307 WeakPolarHBondContact O-CE2 3.43Å |
| 278 | T | 98.7 | Very high | 98.5 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | D274 Q275 L276 Y280 Q281 D282 | D274-T278 PolarHBondContact O-N 3.21Å; D274-T278 PolarHBondContact O-OG1 2.63Å; Q275-T278 WeakPolarHBondContact O-CB 3.45Å; Q275-T278 PolarHBondContact O-N 2.76Å; L276-T278 VanDerWaalsContact C-N 3.31Å; L276-T278 PolarHBondContact O-N 2.89Å; T278-Y280 VanDerWaalsContact C-N 3.31Å; T278-Y280 PolarHBondContact O-N 2.77Å; T278-Q281 WeakPolarHBondContact O-CB 3.24Å; T278-Q281 PolarHBondContact O-N 3.44Å; T278-Q281 VanDerWaalsContact O-N 3.14Å; T278-D282 PolarHBondContact O-N 2.79Å |
| 279 | L | 98.8 | Very high | 98.6 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 24% | 0.236 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 175.9 | -179.4 | 65.4 | 0 | 0 | 0 | 111.8 | M165 L259 Q275 L276 D282 F283 | M165-L279 HydrophobicContact CE-CD2 4.4Å; L259-L279 HydrophobicContact CD1-CD2 3.68Å; Q275-L279 PolarHBondContact O-N 2.9Å; L276-L279 HydrophobicContact CD1-CD2 4.34Å; L276-L279 WeakPolarHBondContact O-CB 3.41Å; L276-L279 PolarHBondContact O-N 3.2Å; L276-L279 VanDerWaalsContact O-N 3.15Å; L279-D282 WeakPolarHBondContact O-CB 3.46Å; L279-D282 PolarHBondContact O-N 3.33Å; L279-F283 HydrophobicContact CD1-CD1 4.43Å; L279-F283 HydrophobicContact CD1-CE1 3.59Å; L279-F283 HydrophobicContact CD1-CZ 3.64Å; L279-F283 HydrophobicContact CD2-CE2 4.35Å; L279-F283 HydrophobicContact CD2-CZ 3.99Å; L279-F283 HydrophobicContact CG-CE1 3.99Å; L279-F283 HydrophobicContact CG-CE2 4.02Å; L279-F283 HydrophobicContact CG-CZ 3.62Å; L279-F283 WeakPolarHBondContact O-CD1 3.19Å; L279-F283 WeakPolarHBondContact O-CG 3.23Å; L279-F283 PolarHBondContact O-N 3.43Å |
| 280 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -37.4 | 175.1 | -59.4 | -43.6 | 0 | 0 | 0 | 113.1 | M165 V246 L276 G277 T278 D282 F283 V284 I292 P295 F296 F307 | M165-Y280 HydrophobicContact CE-CD1 4.36Å; M165-Y280 HydrophobicContact CE-CE1 3.48Å; M165-Y280 VanDerWaalsContact CE-CE1 3.48Å; M165-Y280 HydrophobicContact SD-CE1 4.24Å; V246-Y280 HydrophobicContact CG1-CE1 4.48Å; V246-Y280 WeakPolarHBondContact CG1-OH 3.33Å; V246-Y280 HydrophobicContact CG2-CE1 3.75Å; L276-Y280 HydrophobicContact CD1-CE1 4.07Å; L276-Y280 HydrophobicContact CD1-CE2 4.03Å; L276-Y280 VanDerWaalsContact CD1-OH 3.28Å; L276-Y280 WeakPolarHBondContact CD1-OH 3.39Å; L276-Y280 HydrophobicContact CD2-CE2 4.08Å; L276-Y280 WeakPolarHBondContact CD2-OH 3.44Å; L276-Y280 HydrophobicContact CG-CD2 4.38Å; L276-Y280 HydrophobicContact CG-CE1 4.44Å; L276-Y280 HydrophobicContact CG-CE2 3.49Å; L276-Y280 VanDerWaalsContact CG-CE2 3.49Å; L276-Y280 VanDerWaalsContact CG-OH 3.31Å; L276-Y280 WeakPolarHBondContact CG-OH 3.36Å; L276-Y280 VanDerWaalsContact O-CD2 3.27Å; L276-Y280 WeakPolarHBondContact O-CD2 3.43Å; L276-Y280 PolarHBondContact O-N 3.35Å; G277-Y280 PolarHBondContact O-N 3.13Å; T278-Y280 VanDerWaalsContact C-N 3.31Å; T278-Y280 PolarHBondContact O-N 2.77Å; Y280-D282 VanDerWaalsContact C-N 3.26Å; Y280-D282 PolarHBondContact O-N 3.21Å; Y280-F283 HydrophobicContact CD1-CD2 4.19Å; Y280-F283 HydrophobicContact CD1-CE2 4.49Å; Y280-F283 WeakPolarHBondContact O-CB 3.36Å; Y280-F283 PolarHBondContact O-N 3.23Å; Y280-F283 VanDerWaalsContact O-N 3.11Å; Y280-V284 WeakPolarHBondContact O-CG2 3.47Å; Y280-V284 PolarHBondContact O-N 2.56Å; Y280-I292 HydrophobicContact CD1-CD1 4.41Å; Y280-I292 HydrophobicContact CG-CD1 4.34Å; Y280-P295 HydrophobicContact CD2-CB 3.95Å; Y280-P295 HydrophobicContact CE2-CB 3.48Å; Y280-P295 VanDerWaalsContact CE2-CB 3.48Å; Y280-P295 VanDerWaalsContact CE2-O 3.3Å; Y280-P295 WeakPolarHBondContact CE2-O 3.35Å; Y280-P295 PolarHBondContact OH-O 3Å; Y280-F296 HydrophobicContact CD2-CZ 4.33Å; Y280-F296 HydrophobicContact CE2-CE1 4.3Å; Y280-F296 HydrophobicContact CE2-CZ 4.2Å; Y280-F307 HydrophobicContact CD2-CE1 4.25Å; Y280-F307 HydrophobicContact CD2-CE2 4.16Å; Y280-F307 AromaticContact CD2-CZ 3.94Å; Y280-F307 HydrophobicContact CD2-CZ 3.94Å; Y280-F307 HydrophobicContact CG-CE2 4.42Å; Y280-F307 HydrophobicContact CG-CZ 4.06Å |
| 281 | Q | 98.7 | Very high | 98.7 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 174.3 | -72 | 179.7 | -11.8 | 0 | 0 | 111.5 | G277 T278 V284 R285 F307 | G277-Q281 WeakPolarHBondContact O-CG 3.46Å; G277-Q281 PolarHBondContact O-N 2.79Å; T278-Q281 WeakPolarHBondContact O-CB 3.24Å; T278-Q281 PolarHBondContact O-N 3.44Å; T278-Q281 VanDerWaalsContact O-N 3.14Å; Q281-V284 PolarHBondContact O-N 3.12Å; Q281-R285 WeakPolarHBondContact O-CB 3.5Å; Q281-R285 PolarHBondContact O-N 3.28Å; Q281-F307 HydrophobicContact CG-CE2 4.12Å |
| 282 | D | 98.7 | Very high | 98.7 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.9 | -44 | 171.5 | -67.9 | -30.9 | 0 | 0 | 0 | 111 | T278 L279 Y280 V284 R285 D286 | T278-D282 PolarHBondContact O-N 2.79Å; L279-D282 WeakPolarHBondContact O-CB 3.46Å; L279-D282 PolarHBondContact O-N 3.33Å; Y280-D282 VanDerWaalsContact C-N 3.26Å; Y280-D282 PolarHBondContact O-N 3.21Å; D282-V284 PolarHBondContact O-N 3.37Å; D282-R285 PolarHBondContact O-N 2.96Å; D282-R285 IonicContact OD1-CZ 3.42Å; D282-R285 IonicContact OD1-NH1 2.74Å; D282-R285 PolarHBondContact OD1-NH1 2.73Å; D282-R285 IonicContact OD1-NH2 3.6Å; D282-R285 PolarHBondContact OD1-NH2 3.02Å; D282-D286 WeakPolarHBondContact O-CB 3.3Å; D282-D286 VanDerWaalsContact O-CG 3.26Å; D282-D286 PolarHBondContact O-N 3.21Å |
| 283 | F | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.7 | -64.6 | -11.5 | 0 | 0 | 0 | 113.2 | M165 N220 L224 M244 L279 Y280 R285 D286 Y287 | M165-F283 HydrophobicContact CE-CE2 3.93Å; M165-F283 HydrophobicContact SD-CE2 4.08Å; N220-F283 HydrophobicContact CB-CE2 4Å; N220-F283 HydrophobicContact CB-CZ 3.92Å; L224-F283 HydrophobicContact CD1-CB 3.83Å; L224-F283 HydrophobicContact CD1-CD1 3.86Å; L224-F283 HydrophobicContact CD1-CD2 3.73Å; L224-F283 HydrophobicContact CD1-CE1 4.34Å; L224-F283 HydrophobicContact CD1-CE2 4.21Å; L224-F283 HydrophobicContact CD1-CG 3.53Å; M244-F283 HydrophobicContact CE-CD2 3.88Å; M244-F283 HydrophobicContact CE-CE2 4.1Å; M244-F283 HydrophobicContact SD-CD2 4.15Å; L279-F283 HydrophobicContact CD1-CD1 4.43Å; L279-F283 HydrophobicContact CD1-CE1 3.59Å; L279-F283 HydrophobicContact CD1-CZ 3.64Å; L279-F283 HydrophobicContact CD2-CE2 4.35Å; L279-F283 HydrophobicContact CD2-CZ 3.99Å; L279-F283 HydrophobicContact CG-CE1 3.99Å; L279-F283 HydrophobicContact CG-CE2 4.02Å; L279-F283 HydrophobicContact CG-CZ 3.62Å; L279-F283 WeakPolarHBondContact O-CD1 3.19Å; L279-F283 WeakPolarHBondContact O-CG 3.23Å; L279-F283 PolarHBondContact O-N 3.43Å; Y280-F283 HydrophobicContact CD1-CD2 4.19Å; Y280-F283 HydrophobicContact CD1-CE2 4.49Å; Y280-F283 WeakPolarHBondContact O-CB 3.36Å; Y280-F283 PolarHBondContact O-N 3.23Å; Y280-F283 VanDerWaalsContact O-N 3.11Å; F283-R285 VanDerWaalsContact C-N 3.27Å; F283-R285 PolarHBondContact O-N 3.39Å; F283-D286 PolarHBondContact O-N 2.96Å; F283-Y287 HydrophobicContact CB-CD2 4.45Å; F283-Y287 HydrophobicContact CD1-CE2 4.3Å; F283-Y287 WeakPolarHBondContact O-CB 3.35Å; F283-Y287 WeakPolarHBondContact O-CD2 3.21Å; F283-Y287 PolarHBondContact O-N 2.65Å |
| 284 | V | 98.7 | Very high | 98.7 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 26% | 0.255 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.2 | -30.6 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | Y280 Q281 D282 V289 I292 I313 | Y280-V284 WeakPolarHBondContact O-CG2 3.47Å; Y280-V284 PolarHBondContact O-N 2.56Å; Q281-V284 PolarHBondContact O-N 3.12Å; D282-V284 PolarHBondContact O-N 3.37Å; V284-V289 HydrophobicContact CG2-CB 4.35Å; V284-V289 HydrophobicContact CG2-CG1 4.25Å; V284-I292 HydrophobicContact CG2-CD1 4.01Å; V284-I313 HydrophobicContact CG1-CG2 3.84Å; V284-I313 HydrophobicContact CG2-CD1 3.63Å; V284-I313 HydrophobicContact CG2-CG1 4.39Å |
| 285 | R | 98.5 | Very high | 98.8 | Very high | 157 Ų | 157 | 37.3 Ų | 37.3 | 59% | 0.592 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -74.6 | -43.3 | 176 | -179.1 | -170.7 | 63.7 | -125.2 | -8.4 | 112.1 | Q281 D282 F283 | Q281-R285 WeakPolarHBondContact O-CB 3.5Å; Q281-R285 PolarHBondContact O-N 3.28Å; D282-R285 PolarHBondContact O-N 2.96Å; D282-R285 IonicContact OD1-CZ 3.42Å; D282-R285 IonicContact OD1-NH1 2.74Å; D282-R285 PolarHBondContact OD1-NH1 2.73Å; D282-R285 IonicContact OD1-NH2 3.6Å; D282-R285 PolarHBondContact OD1-NH2 3.02Å; F283-R285 VanDerWaalsContact C-N 3.27Å; F283-R285 PolarHBondContact O-N 3.39Å |
| 286 | D | 98.6 | Very high | 98.8 | Very high | 77 Ų | 77 | 32.5 Ų | 32.5 | 41% | 0.412 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -94.4 | -17.8 | -165.3 | -61.3 | -23.6 | 0 | 0 | 0 | 113.3 | D282 F283 | D282-D286 WeakPolarHBondContact O-CB 3.3Å; D282-D286 VanDerWaalsContact O-CG 3.26Å; D282-D286 PolarHBondContact O-N 3.21Å; F283-D286 PolarHBondContact O-N 2.96Å |
| 287 | Y | 98.7 | Very high | 98.8 | Very high | 36 Ų | 36 | 33.2 Ų | 33.2 | 14% | 0.141 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -131.1 | 156.6 | -179.5 | -52.8 | -85.8 | 0 | 0 | 0 | 110.7 | S221 L224 E225 K228 F283 V289 | S221-Y287 PolarHBondContact O-OH 3.41Å; L224-Y287 HydrophobicContact CB-CD1 3.67Å; L224-Y287 HydrophobicContact CB-CD2 4.01Å; L224-Y287 HydrophobicContact CB-CE1 3.72Å; L224-Y287 HydrophobicContact CB-CE2 4.05Å; L224-Y287 HydrophobicContact CB-CG 3.83Å; L224-Y287 HydrophobicContact CD1-CD2 3.68Å; L224-Y287 HydrophobicContact CD1-CE2 3.94Å; L224-Y287 HydrophobicContact CD1-CG 4.15Å; L224-Y287 HydrophobicContact CG-CD2 4.41Å; L224-Y287 HydrophobicContact CG-CG 4.46Å; E225-Y287 HydrophobicContact CB-CE1 4.24Å; E225-Y287 WeakPolarHBondContact OE2-CE1 3.5Å; K228-Y287 HydrophobicContact CB-CD1 4.45Å; K228-Y287 HydrophobicContact CD-CD1 3.89Å; K228-Y287 HydrophobicContact CD-CE1 4.31Å; F283-Y287 HydrophobicContact CB-CD2 4.45Å; F283-Y287 HydrophobicContact CD1-CE2 4.3Å; F283-Y287 WeakPolarHBondContact O-CB 3.35Å; F283-Y287 WeakPolarHBondContact O-CD2 3.21Å; F283-Y287 PolarHBondContact O-N 2.65Å; Y287-V289 PolarHBondContact O-N 2.71Å |
| 288 | P | 98.4 | Very high | 98.7 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 34% | 0.344 | 17% | 0.17 | S | C | . | . | trans | -75.5 | 49.4 | 178.9 | 33.7 | -37.5 | 0 | 0 | 0 | 112.2 | V241 I242 V290 | V241-P288 WeakPolarHBondContact CB-O 3.32Å; V241-P288 HydrophobicContact CG1-CB 4.48Å; I242-P288 HydrophobicContact CD1-CG 4.12Å; I242-P288 HydrophobicContact CG1-CG 4.23Å; I242-P288 PolarHBondContact N-O 3.37Å; P288-V290 PolarHBondContact O-N 2.94Å | ||
| 289 | V | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120.8 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | L224 I242 M244 V284 Y287 I292 I313 | L224-V289 HydrophobicContact CD2-CG2 3.95Å; I242-V289 HydrophobicContact CB-CG2 4.11Å; I242-V289 HydrophobicContact CG2-CG2 3.96Å; I242-V289 CarbonylContact O-C 3.46Å; I242-V289 WeakPolarHBondContact O-CA 3.42Å; M244-V289 HydrophobicContact CG-CG1 4.45Å; M244-V289 HydrophobicContact SD-CG1 4.21Å; M244-V289 HydrophobicContact SD-CG2 4.1Å; V284-V289 HydrophobicContact CG2-CB 4.35Å; V284-V289 HydrophobicContact CG2-CG1 4.25Å; Y287-V289 PolarHBondContact O-N 2.71Å; V289-I292 HydrophobicContact CG1-CD1 4.07Å; V289-I292 HydrophobicContact CG1-CG1 3.7Å; V289-I313 HydrophobicContact CG1-CD1 4.4Å |
| 290 | V | 98.9 | Very high | 98.7 | Very high | 36 Ų | 36 | 33 Ų | 33 | 22% | 0.218 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | -8.3 | -178.4 | -60.2 | 0 | 0 | 0 | 0 | 113.6 | V241 I242 P288 I313 Q314 F428 | V241-V290 HydrophobicContact CB-CG1 3.85Å; V241-V290 HydrophobicContact CB-CG2 3.92Å; V241-V290 HydrophobicContact CG1-CG1 4.04Å; V241-V290 HydrophobicContact CG2-CB 4.35Å; V241-V290 HydrophobicContact CG2-CG1 4.06Å; V241-V290 HydrophobicContact CG2-CG2 3.36Å; I242-V290 PolarHBondContact O-N 3.38Å; P288-V290 PolarHBondContact O-N 2.94Å; V290-I313 WeakPolarHBondContact O-CB 3.4Å; V290-Q314 WeakPolarHBondContact O-CB 3.32Å; V290-Q314 PolarHBondContact O-N 3.36Å; V290-F428 HydrophobicContact CG2-CZ 4.12Å |
| 291 | S | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 130 | 179.3 | -169.9 | 0 | 0 | 0 | 0 | 110.6 | G243 M244 Q314 V316 | G243-S291 CarbonylContact C-O 3.57Å; G243-S291 VanDerWaalsContact CA-O 3.29Å; G243-S291 WeakPolarHBondContact CA-O 3.47Å; M244-S291 PolarHBondContact N-O 3.31Å; S291-Q314 CarbonylContact C-O 3.42Å; S291-Q314 VanDerWaalsContact CA-O 3.27Å; S291-Q314 WeakPolarHBondContact CA-O 3.47Å; S291-Q314 PolarHBondContact OG-NE2 3.06Å; S291-V316 WeakPolarHBondContact OG-CG2 3.17Å |
| 292 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.9 | 170.9 | -59.9 | 177.9 | 0 | 0 | 0 | 108.6 | M244 V246 Y280 V284 V289 P295 F307 I313 Q314 I315 V316 | M244-I292 HydrophobicContact CB-CG1 4.49Å; M244-I292 CarbonylContact O-C 3.38Å; M244-I292 WeakPolarHBondContact O-CA 3.45Å; V246-I292 HydrophobicContact CG2-CG2 3.84Å; Y280-I292 HydrophobicContact CD1-CD1 4.41Å; Y280-I292 HydrophobicContact CG-CD1 4.34Å; V284-I292 HydrophobicContact CG2-CD1 4.01Å; V289-I292 HydrophobicContact CG1-CD1 4.07Å; V289-I292 HydrophobicContact CG1-CG1 3.7Å; I292-P295 HydrophobicContact CG2-CB 3.94Å; I292-P295 HydrophobicContact CG2-CG 4.43Å; I292-F307 HydrophobicContact CD1-CZ 4.34Å; I292-I313 HydrophobicContact CB-CD1 4.32Å; I292-I313 HydrophobicContact CD1-CD1 3.83Å; I292-I313 HydrophobicContact CG1-CD1 3.71Å; I292-Q314 PolarHBondContact N-O 3.47Å; I292-I315 HydrophobicContact CB-CD1 4.1Å; I292-I315 CarbonylContact O-C 3.55Å; I292-I315 VanDerWaalsContact O-CA 3.3Å; I292-I315 WeakPolarHBondContact O-CA 3.31Å; I292-V316 PolarHBondContact O-N 2.92Å |
| 293 | E | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 142.2 | 175.1 | -179.6 | -174.8 | 138 | 0 | 0 | 110.5 | M244 D245 V246 P295 V316 D318 L341 K394 | M244-E293 PolarHBondContact O-N 3.39Å; D245-E293 HydrophobicContact CB-CB 3.94Å; D245-E293 HydrophobicContact CB-CG 4.21Å; D245-E293 VanDerWaalsContact CG-OE1 3.31Å; V246-E293 WeakPolarHBondContact CB-O 3.47Å; V246-E293 PolarHBondContact N-O 2.87Å; E293-P295 VanDerWaalsContact C-CD 3.42Å; E293-V316 WeakPolarHBondContact CA-O 3.18Å; E293-V316 HydrophobicContact CB-CB 3.75Å; E293-V316 HydrophobicContact CB-CG1 4.41Å; E293-V316 HydrophobicContact CB-CG2 4.31Å; E293-V316 HydrophobicContact CG-CB 3.92Å; E293-V316 HydrophobicContact CG-CG1 4.11Å; E293-D318 HydrophobicContact CG-CB 3.89Å; E293-D318 WeakPolarHBondContact OE1-CB 3.08Å; E293-L341 WeakPolarHBondContact OE1-CD2 3.35Å; E293-L341 WeakPolarHBondContact OE2-CD1 3.36Å; E293-K394 IonicContact OE1-NZ 3.19Å; E293-K394 PolarHBondContact OE1-NZ 2.71Å; E293-K394 WeakPolarHBondContact OE2-CE 3.04Å; E293-K394 IonicContact OE2-NZ 2.71Å; E293-K394 PolarHBondContact OE2-NZ 3.02Å |
| 294 | D | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | 42.5 | 52.2 | 179.2 | -76.4 | 1.8 | 0 | 0 | 0 | 115.3 | V246 A248 F296 W304 V316 D318 D319 | V246-D294 WeakPolarHBondContact CB-O 3.45Å; A248-D294 VanDerWaalsContact CB-O 3.23Å; A248-D294 WeakPolarHBondContact CB-O 3.33Å; A248-D294 PolarHBondContact N-O 3.45Å; A248-D294 VanDerWaalsContact N-O 3.12Å; D294-F296 PolarHBondContact O-N 2.99Å; D294-F296 VanDerWaalsContact O-N 3.14Å; D294-W304 HydrophobicContact CB-CH2 4.41Å; D294-W304 HydrophobicContact CB-CZ2 4.32Å; D294-W304 WeakPolarHBondContact OD1-CH2 3.28Å; D294-W304 WeakPolarHBondContact OD1-CZ2 3.48Å; D294-V316 PolarHBondContact N-O 3.06Å; D294-V316 VanDerWaalsContact N-O 3.12Å; D294-D318 PolarHBondContact OD1-N 2.82Å; D294-D318 WeakPolarHBondContact OD2-CB 3.29Å; D294-D319 PolarHBondContact OD1-N 2.77Å; D294-D319 VanDerWaalsContact OD2-CB 3.25Å; D294-D319 WeakPolarHBondContact OD2-CB 3.4Å; D294-D319 PolarHBondContact OD2-N 3.41Å | ||
| 295 | P | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -61.8 | -21 | 178.5 | 26.1 | -35.5 | 0 | 0 | 0 | 113.6 | L276 Y280 I292 E293 W304 F307 I315 | L276-P295 WeakPolarHBondContact CD2-O 3.4Å; Y280-P295 HydrophobicContact CD2-CB 3.95Å; Y280-P295 HydrophobicContact CE2-CB 3.48Å; Y280-P295 VanDerWaalsContact CE2-CB 3.48Å; Y280-P295 VanDerWaalsContact CE2-O 3.3Å; Y280-P295 WeakPolarHBondContact CE2-O 3.35Å; Y280-P295 PolarHBondContact OH-O 3Å; I292-P295 HydrophobicContact CG2-CB 3.94Å; I292-P295 HydrophobicContact CG2-CG 4.43Å; E293-P295 VanDerWaalsContact C-CD 3.42Å; P295-W304 HydrophobicContact CG-CD2 4.48Å; P295-W304 HydrophobicContact CG-CE3 4.14Å; P295-W304 HydrophobicContact CG-CH2 4.37Å; P295-W304 HydrophobicContact CG-CZ3 4.1Å; P295-F307 HydrophobicContact CB-CD1 4.32Å; P295-F307 HydrophobicContact CB-CE1 4.31Å; P295-F307 HydrophobicContact CG-CD1 4.19Å; P295-F307 HydrophobicContact CG-CE1 4.44Å; P295-I315 HydrophobicContact CG-CG2 4.21Å | ||
| 296 | F | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -137.1 | 167.3 | 179.8 | -54.4 | -73.5 | 0 | 0 | 0 | 110.5 | Y257 G273 L276 Y280 D294 D300 A303 W304 F307 | Y257-F296 HydrophobicContact CE2-CD1 4.2Å; Y257-F296 WeakPolarHBondContact OH-CB 3.47Å; G273-F296 WeakPolarHBondContact O-CE1 3.44Å; L276-F296 HydrophobicContact CB-CE1 4.35Å; L276-F296 HydrophobicContact CD2-CD1 4.23Å; L276-F296 HydrophobicContact CD2-CE1 4.28Å; L276-F296 HydrophobicContact CG-CE1 4.38Å; Y280-F296 HydrophobicContact CD2-CZ 4.33Å; Y280-F296 HydrophobicContact CE2-CE1 4.3Å; Y280-F296 HydrophobicContact CE2-CZ 4.2Å; D294-F296 PolarHBondContact O-N 2.99Å; D294-F296 VanDerWaalsContact O-N 3.14Å; F296-D300 HydrophobicContact CB-CB 4.27Å; F296-A303 HydrophobicContact CB-CB 4.08Å; F296-A303 HydrophobicContact CD1-CB 3.56Å; F296-A303 HydrophobicContact CD2-CB 3.86Å; F296-A303 HydrophobicContact CE1-CB 3.93Å; F296-A303 HydrophobicContact CE2-CB 4.23Å; F296-A303 WeakPolarHBondContact CE2-O 3.33Å; F296-A303 HydrophobicContact CG-CB 3.51Å; F296-A303 HydrophobicContact CZ-CB 4.25Å; F296-W304 HydrophobicContact CB-CG 4.34Å; F296-W304 HydrophobicContact CD2-CD2 4.46Å; F296-W304 HydrophobicContact CD2-CG 4.21Å; F296-W304 PolarHBondContact O-NE1 3.28Å; F296-F307 HydrophobicContact CD2-CB 4.49Å; F296-F307 HydrophobicContact CE2-CB 3.36Å; F296-F307 AromaticContact CE2-CD1 3.9Å; F296-F307 HydrophobicContact CE2-CD1 3.9Å; F296-F307 AromaticContact CE2-CG 3.7Å; F296-F307 HydrophobicContact CE2-CG 3.7Å; F296-F307 HydrophobicContact CZ-CB 3.8Å; F296-F307 HydrophobicContact CZ-CD1 4.47Å; F296-F307 HydrophobicContact CZ-CD2 4.38Å; F296-F307 AromaticContact CZ-CG 3.99Å; F296-F307 HydrophobicContact CZ-CG 3.99Å |
| 297 | D | 98.7 | Very high | 98.7 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 9% | 0.086 | 14% | 0.139 | C | C | . | . | trans | -56.2 | 148 | 177.4 | 178.6 | 87.7 | 0 | 0 | 0 | 111.7 | H252 Y257 D299 D300 W304 | H252-D297 HydrophobicContact CB-CB 3.81Å; H252-D297 WeakPolarHBondContact CB-OD1 3.41Å; H252-D297 IonicContact CE1-OD1 3.29Å; H252-D297 IonicContact CE1-OD2 3.75Å; H252-D297 IonicContact CG-OD1 3.57Å; H252-D297 IonicContact ND1-OD1 3.33Å; H252-D297 PolarHBondContact ND1-OD1 3.43Å; H252-D297 IonicContact ND1-OD2 3.5Å; Y257-D297 HydrophobicContact CE1-CB 4.19Å; Y257-D297 PolarHBondContact OH-N 3.33Å; D297-D299 PolarHBondContact O-N 3.37Å; D297-D299 PolarHBondContact OD2-N 3.02Å; D297-D300 HydrophobicContact CB-CB 4.05Å; D297-D300 PolarHBondContact O-N 3.15Å; D297-W304 PolarHBondContact O-NE1 2.77Å | ||
| 298 | Q | 98.2 | Very high | 98.7 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -16.5 | -179.7 | 65.8 | -160.3 | -42.4 | 0 | 0 | 115.3 | G42 Y44 S249 D319 L320 R327 | G42-Q298 VanDerWaalsContact CA-OE1 3.29Å; Y44-Q298 HydrophobicContact CE2-CG 4.41Å; S249-Q298 PolarHBondContact OG-N 2.77Å; Q298-D319 HydrophobicContact CB-CB 3.96Å; Q298-L320 WeakPolarHBondContact O-CD1 3.18Å; Q298-R327 PolarHBondContact O-NH2 2.68Å |
| 299 | D | 98.4 | Very high | 98.8 | Very high | 62 Ų | 62 | 25 Ų | 25 | 33% | 0.332 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 4.3 | 174.2 | -68.7 | -46.3 | 0 | 0 | 0 | 114.6 | Y44 D297 W301 R327 | Y44-D299 VanDerWaalsContact CE2-OD1 3.32Å; Y44-D299 WeakPolarHBondContact CE2-OD1 3.31Å; Y44-D299 WeakPolarHBondContact CE2-OD2 3.49Å; Y44-D299 PolarHBondContact OH-OD1 3.46Å; Y44-D299 VanDerWaalsContact OH-OD1 3.13Å; Y44-D299 PolarHBondContact OH-OD2 3.2Å; Y44-D299 VanDerWaalsContact OH-OD2 3.05Å; D297-D299 PolarHBondContact O-N 3.37Å; D297-D299 PolarHBondContact OD2-N 3.02Å; D299-W301 PolarHBondContact O-N 3.2Å; D299-R327 IonicContact OD1-CZ 3.58Å; D299-R327 IonicContact OD1-NH1 2.67Å; D299-R327 IonicContact OD1-NH2 2.78Å; D299-R327 PolarHBondContact OD1-NH2 2.67Å |
| 300 | D | 98.4 | Very high | 98.7 | Very high | 42 Ų | 42 | 29.8 Ų | 29.8 | 23% | 0.225 | 18% | 0.18 | C | C | . | . | trans | -84.6 | 53.8 | 175.1 | -167.7 | 2 | 0 | 0 | 0 | 112.1 | Y257 F296 D297 A302 A303 W304 | Y257-D300 WeakPolarHBondContact OH-CB 3.44Å; Y257-D300 PolarHBondContact OH-OD2 2.93Å; F296-D300 HydrophobicContact CB-CB 4.27Å; D297-D300 HydrophobicContact CB-CB 4.05Å; D297-D300 PolarHBondContact O-N 3.15Å; D300-A302 PolarHBondContact O-N 2.95Å; D300-A302 VanDerWaalsContact O-N 3.11Å; D300-A303 HydrophobicContact CB-CB 4.34Å; D300-A303 PolarHBondContact O-N 3.33Å; D300-A303 WeakPolarHBondContact OD1-CB 3.16Å; D300-A303 PolarHBondContact OD1-N 3.02Å; D300-A303 VanDerWaalsContact OD2-CB 3.28Å; D300-A303 WeakPolarHBondContact OD2-CB 3.4Å; D300-W304 VanDerWaalsContact O-CD1 3.27Å; D300-W304 PolarHBondContact O-N 2.84Å | ||
| 301 | W | 98.8 | Very high | 98.7 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51 | -37.7 | -174.7 | -70.2 | 91.2 | 0 | 0 | 0 | 114 | D299 W304 S305 L320 R327 R330 A331 E334 A336 | D299-W301 PolarHBondContact O-N 3.2Å; W301-W304 WeakPolarHBondContact O-CB 3.02Å; W301-W304 PolarHBondContact O-N 2.86Å; W301-S305 PolarHBondContact O-N 3.39Å; W301-S305 PolarHBondContact O-OG 2.87Å; W301-L320 HydrophobicContact CD2-CD1 4.02Å; W301-L320 HydrophobicContact CE3-CD1 3.92Å; W301-L320 HydrophobicContact CH2-CD1 3.65Å; W301-L320 HydrophobicContact CH2-CG 4.06Å; W301-L320 HydrophobicContact CZ2-CD1 3.77Å; W301-L320 HydrophobicContact CZ3-CD1 3.68Å; W301-L320 HydrophobicContact CZ3-CD2 4.26Å; W301-L320 HydrophobicContact CZ3-CG 4.14Å; W301-R327 VanDerWaalsContact CZ2-NH2 3.28Å; W301-R330 HydrophobicContact CE3-CG 4.42Å; W301-R330 VanDerWaalsContact CG-NH2 3.25Å; W301-R330 HydrophobicContact CH2-CB 4.09Å; W301-R330 HydrophobicContact CH2-CG 3.81Å; W301-R330 HydrophobicContact CZ2-CG 4.12Å; W301-R330 HydrophobicContact CZ3-CG 4Å; W301-R330 VanDerWaalsContact NE1-CZ 3.28Å; W301-A331 HydrophobicContact CH2-CB 3.97Å; W301-A331 HydrophobicContact CZ3-CB 3.62Å; W301-E334 WeakPolarHBondContact CB-OE2 3.35Å; W301-E334 HydrophobicContact CE3-CB 4.45Å; W301-A336 HydrophobicContact CE3-CB 3.9Å; W301-A336 HydrophobicContact CZ3-CB 3.9Å |
| 302 | A | 98.6 | Very high | 98.7 | Very high | 74 Ų | 74 | 32.6 Ų | 32.6 | 61% | 0.612 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66 | -39.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D300 K306 | D300-A302 PolarHBondContact O-N 2.95Å; D300-A302 VanDerWaalsContact O-N 3.11Å; A302-K306 WeakPolarHBondContact O-CB 3.34Å; A302-K306 PolarHBondContact O-N 2.77Å |
| 303 | A | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F296 D300 K306 F307 | F296-A303 HydrophobicContact CB-CB 4.08Å; F296-A303 HydrophobicContact CD1-CB 3.56Å; F296-A303 HydrophobicContact CD2-CB 3.86Å; F296-A303 HydrophobicContact CE1-CB 3.93Å; F296-A303 HydrophobicContact CE2-CB 4.23Å; F296-A303 WeakPolarHBondContact CE2-O 3.33Å; F296-A303 HydrophobicContact CG-CB 3.51Å; F296-A303 HydrophobicContact CZ-CB 4.25Å; D300-A303 HydrophobicContact CB-CB 4.34Å; D300-A303 PolarHBondContact O-N 3.33Å; D300-A303 WeakPolarHBondContact OD1-CB 3.16Å; D300-A303 PolarHBondContact OD1-N 3.02Å; D300-A303 VanDerWaalsContact OD2-CB 3.28Å; D300-A303 WeakPolarHBondContact OD2-CB 3.4Å; A303-K306 PolarHBondContact O-N 3.23Å; A303-F307 VanDerWaalsContact O-CB 3.32Å; A303-F307 WeakPolarHBondContact O-CB 3.18Å; A303-F307 PolarHBondContact O-N 3.33Å |
| 304 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.9 | -59 | 173.6 | -79.4 | 94.3 | 0 | 0 | 0 | 112.4 | D294 P295 F296 D297 D300 W301 K306 F307 T308 I315 V316 L320 A336 C337 | D294-W304 HydrophobicContact CB-CH2 4.41Å; D294-W304 HydrophobicContact CB-CZ2 4.32Å; D294-W304 WeakPolarHBondContact OD1-CH2 3.28Å; D294-W304 WeakPolarHBondContact OD1-CZ2 3.48Å; P295-W304 HydrophobicContact CG-CD2 4.48Å; P295-W304 HydrophobicContact CG-CE3 4.14Å; P295-W304 HydrophobicContact CG-CH2 4.37Å; P295-W304 HydrophobicContact CG-CZ3 4.1Å; F296-W304 HydrophobicContact CB-CG 4.34Å; F296-W304 HydrophobicContact CD2-CD2 4.46Å; F296-W304 HydrophobicContact CD2-CG 4.21Å; F296-W304 PolarHBondContact O-NE1 3.28Å; D297-W304 PolarHBondContact O-NE1 2.77Å; D300-W304 VanDerWaalsContact O-CD1 3.27Å; D300-W304 PolarHBondContact O-N 2.84Å; W301-W304 WeakPolarHBondContact O-CB 3.02Å; W301-W304 PolarHBondContact O-N 2.86Å; W304-K306 VanDerWaalsContact C-N 3.3Å; W304-K306 PolarHBondContact O-N 2.9Å; W304-F307 PolarHBondContact O-N 3.49Å; W304-T308 WeakPolarHBondContact O-CB 3.49Å; W304-T308 PolarHBondContact O-N 3.07Å; W304-T308 PolarHBondContact O-OG1 2.81Å; W304-I315 HydrophobicContact CE3-CG2 3.93Å; W304-I315 HydrophobicContact CZ3-CG2 3.72Å; W304-V316 WeakPolarHBondContact CH2-O 3.41Å; W304-L320 HydrophobicContact CD2-CD1 4.47Å; W304-L320 HydrophobicContact CD2-CD2 3.68Å; W304-L320 HydrophobicContact CE3-CD2 3.72Å; W304-L320 HydrophobicContact CG-CD1 4.47Å; W304-L320 HydrophobicContact CG-CD2 4.21Å; W304-L320 HydrophobicContact CH2-CB 3.96Å; W304-L320 HydrophobicContact CH2-CD2 3.96Å; W304-L320 HydrophobicContact CZ2-CB 3.65Å; W304-L320 HydrophobicContact CZ2-CD2 4Å; W304-L320 HydrophobicContact CZ2-CG 4.27Å; W304-L320 HydrophobicContact CZ3-CD2 3.84Å; W304-A336 CarbonylContact C-O 3.53Å; W304-A336 HydrophobicContact CB-CB 3.91Å; W304-C337 HydrophobicContact CE3-CB 4.01Å; W304-C337 HydrophobicContact CZ3-CB 3.8Å |
| 305 | S | 98.9 | Very high | 98.7 | Very high | 30 Ų | 30 | 33.4 Ų | 33.4 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -41 | -179.1 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | W301 A309 E334 | W301-S305 PolarHBondContact O-N 3.39Å; W301-S305 PolarHBondContact O-OG 2.87Å; S305-A309 VanDerWaalsContact O-CB 3.28Å; S305-A309 WeakPolarHBondContact O-CB 3.37Å; S305-A309 PolarHBondContact O-N 3.24Å; S305-A309 VanDerWaalsContact O-N 3.13Å; S305-E334 WeakPolarHBondContact CB-O 3.36Å; S305-E334 PolarHBondContact OG-O 3.02Å |
| 306 | K | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 33.4 Ų | 33.4 | 46% | 0.457 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.9 | -48.3 | 176.9 | -179.5 | 178.2 | 177.1 | 179.7 | 0 | 111.1 | D274 A302 A303 W304 N310 | D274-K306 IonicContact OD1-NZ 2.65Å; D274-K306 PolarHBondContact OD1-NZ 3.36Å; D274-K306 IonicContact OD2-NZ 3.73Å; D274-K306 PolarHBondContact OD2-NZ 2.95Å; A302-K306 WeakPolarHBondContact O-CB 3.34Å; A302-K306 PolarHBondContact O-N 2.77Å; A303-K306 PolarHBondContact O-N 3.23Å; W304-K306 VanDerWaalsContact C-N 3.3Å; W304-K306 PolarHBondContact O-N 2.9Å; K306-N310 PolarHBondContact O-ND2 3.4Å |
| 307 | F | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.7 | -47.4 | -176.9 | -176.6 | -114.7 | 0 | 0 | 0 | 112 | G277 Y280 Q281 I292 P295 F296 A303 W304 A309 N310 V311 I315 | G277-F307 WeakPolarHBondContact O-CE2 3.43Å; Y280-F307 HydrophobicContact CD2-CE1 4.25Å; Y280-F307 HydrophobicContact CD2-CE2 4.16Å; Y280-F307 AromaticContact CD2-CZ 3.94Å; Y280-F307 HydrophobicContact CD2-CZ 3.94Å; Y280-F307 HydrophobicContact CG-CE2 4.42Å; Y280-F307 HydrophobicContact CG-CZ 4.06Å; Q281-F307 HydrophobicContact CG-CE2 4.12Å; I292-F307 HydrophobicContact CD1-CZ 4.34Å; P295-F307 HydrophobicContact CB-CD1 4.32Å; P295-F307 HydrophobicContact CB-CE1 4.31Å; P295-F307 HydrophobicContact CG-CD1 4.19Å; P295-F307 HydrophobicContact CG-CE1 4.44Å; F296-F307 HydrophobicContact CD2-CB 4.49Å; F296-F307 HydrophobicContact CE2-CB 3.36Å; F296-F307 AromaticContact CE2-CD1 3.9Å; F296-F307 HydrophobicContact CE2-CD1 3.9Å; F296-F307 AromaticContact CE2-CG 3.7Å; F296-F307 HydrophobicContact CE2-CG 3.7Å; F296-F307 HydrophobicContact CZ-CB 3.8Å; F296-F307 HydrophobicContact CZ-CD1 4.47Å; F296-F307 HydrophobicContact CZ-CD2 4.38Å; F296-F307 AromaticContact CZ-CG 3.99Å; F296-F307 HydrophobicContact CZ-CG 3.99Å; A303-F307 VanDerWaalsContact O-CB 3.32Å; A303-F307 WeakPolarHBondContact O-CB 3.18Å; A303-F307 PolarHBondContact O-N 3.33Å; W304-F307 PolarHBondContact O-N 3.49Å; F307-A309 PolarHBondContact O-N 2.71Å; F307-N310 CarbonylContact O-C 3.56Å; F307-N310 WeakPolarHBondContact O-CA 3.37Å; F307-N310 PolarHBondContact O-N 2.78Å; F307-V311 HydrophobicContact CD1-CG2 4.49Å; F307-V311 HydrophobicContact CD2-CG1 4.17Å; F307-V311 HydrophobicContact CE1-CG1 4.28Å; F307-V311 HydrophobicContact CE1-CG2 4.34Å; F307-V311 HydrophobicContact CE2-CG1 3.68Å; F307-V311 HydrophobicContact CZ-CG1 3.73Å; F307-V311 WeakPolarHBondContact O-CG2 3.32Å; F307-V311 PolarHBondContact O-N 2.78Å; F307-I315 HydrophobicContact CD1-CD1 3.94Å; F307-I315 HydrophobicContact CE1-CD1 3.49Å; F307-I315 VanDerWaalsContact CE1-CD1 3.49Å; F307-I315 HydrophobicContact CE1-CG1 4.48Å |
| 308 | T | 98.9 | Very high | 98.7 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 10% | 0.104 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.5 | -36.6 | 178.4 | -65.9 | 0 | 0 | 0 | 0 | 112 | W304 N310 I315 K335 A336 | W304-T308 WeakPolarHBondContact O-CB 3.49Å; W304-T308 PolarHBondContact O-N 3.07Å; W304-T308 PolarHBondContact O-OG1 2.81Å; T308-N310 PolarHBondContact O-N 3.48Å; T308-I315 WeakPolarHBondContact OG1-CG2 3.29Å; T308-K335 WeakPolarHBondContact CG2-O 3.31Å; T308-A336 WeakPolarHBondContact CB-O 3.45Å; T308-A336 PolarHBondContact OG1-O 2.7Å |
| 309 | A | 98.7 | Very high | 98.6 | Very high | 84 Ų | 84 | 31.9 Ų | 31.9 | 69% | 0.694 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | S305 F307 | S305-A309 VanDerWaalsContact O-CB 3.28Å; S305-A309 WeakPolarHBondContact O-CB 3.37Å; S305-A309 PolarHBondContact O-N 3.24Å; S305-A309 VanDerWaalsContact O-N 3.13Å; F307-A309 PolarHBondContact O-N 2.71Å |
| 310 | N | 98.5 | Very high | 98.6 | Very high | 106 Ų | 106 | 29 Ų | 29 | 57% | 0.567 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | 9.4 | -173.6 | -73.5 | -80.9 | 0 | 0 | 0 | 113.7 | K306 F307 T308 | K306-N310 PolarHBondContact O-ND2 3.4Å; F307-N310 CarbonylContact O-C 3.56Å; F307-N310 WeakPolarHBondContact O-CA 3.37Å; F307-N310 PolarHBondContact O-N 2.78Å; T308-N310 PolarHBondContact O-N 3.48Å |
| 311 | V | 98.3 | Very high | 98.7 | Very high | 27 Ų | 27 | 27 Ų | 27 | 16% | 0.164 | 18% | 0.181 | C | C | . | . | trans | -132.7 | 148 | 178.5 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | F307 I313 I315 | F307-V311 HydrophobicContact CD1-CG2 4.49Å; F307-V311 HydrophobicContact CD2-CG1 4.17Å; F307-V311 HydrophobicContact CE1-CG1 4.28Å; F307-V311 HydrophobicContact CE1-CG2 4.34Å; F307-V311 HydrophobicContact CE2-CG1 3.68Å; F307-V311 HydrophobicContact CZ-CG1 3.73Å; F307-V311 WeakPolarHBondContact O-CG2 3.32Å; F307-V311 PolarHBondContact O-N 2.78Å; V311-I313 HydrophobicContact CB-CG1 4.14Å; V311-I313 HydrophobicContact CG2-CG1 4.1Å; V311-I315 HydrophobicContact CG2-CD1 3.92Å; V311-I315 HydrophobicContact CG2-CG1 3.79Å | ||
| 312 | G | 98.3 | Very high | 98.6 | Very high | 71 Ų | 71 | 26.3 Ų | 26.3 | 73% | 0.732 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -95.4 | -3.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R429 | G312-R429 PolarHBondContact O-NH1 3.39Å; G312-R429 VanDerWaalsContact O-NH1 3.12Å |
| 313 | I | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 22.8 Ų | 22.8 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -83.5 | 180 | -175.7 | 62.8 | 155.5 | 0 | 0 | 0 | 112 | V284 V289 V290 I292 V311 I315 N338 R429 | V284-I313 HydrophobicContact CG1-CG2 3.84Å; V284-I313 HydrophobicContact CG2-CD1 3.63Å; V284-I313 HydrophobicContact CG2-CG1 4.39Å; V289-I313 HydrophobicContact CG1-CD1 4.4Å; V290-I313 WeakPolarHBondContact O-CB 3.4Å; I292-I313 HydrophobicContact CB-CD1 4.32Å; I292-I313 HydrophobicContact CD1-CD1 3.83Å; I292-I313 HydrophobicContact CG1-CD1 3.71Å; V311-I313 HydrophobicContact CB-CG1 4.14Å; V311-I313 HydrophobicContact CG2-CG1 4.1Å; I313-I315 HydrophobicContact CD1-CD1 4.09Å; I313-I315 HydrophobicContact CG1-CD1 4.12Å; I313-N338 PolarHBondContact O-ND2 3.47Å; I313-N338 VanDerWaalsContact O-ND2 3.17Å; I313-R429 PolarHBondContact O-NH2 3.33Å; I313-R429 VanDerWaalsContact O-NH2 3.16Å |
| 314 | Q | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 131.8 | 169.3 | -177.4 | 170.3 | -88 | 0 | 0 | 110 | V290 S291 I292 V316 N338 C339 | V290-Q314 WeakPolarHBondContact O-CB 3.32Å; V290-Q314 PolarHBondContact O-N 3.36Å; S291-Q314 CarbonylContact C-O 3.42Å; S291-Q314 VanDerWaalsContact CA-O 3.27Å; S291-Q314 WeakPolarHBondContact CA-O 3.47Å; S291-Q314 PolarHBondContact OG-NE2 3.06Å; I292-Q314 PolarHBondContact N-O 3.47Å; Q314-V316 HydrophobicContact CG-CG2 3.87Å; Q314-N338 WeakPolarHBondContact CA-OD1 3.34Å; Q314-C339 VanDerWaalsContact CD-SG 3.56Å; Q314-C339 HydrophobicContact CG-CB 3.48Å; Q314-C339 VanDerWaalsContact CG-CB 3.48Å |
| 315 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.1 | 171.1 | -59 | -58.8 | 0 | 0 | 0 | 107.5 | I292 P295 W304 F307 T308 V311 I313 C337 N338 C339 | I292-I315 HydrophobicContact CB-CD1 4.1Å; I292-I315 CarbonylContact O-C 3.55Å; I292-I315 VanDerWaalsContact O-CA 3.3Å; I292-I315 WeakPolarHBondContact O-CA 3.31Å; P295-I315 HydrophobicContact CG-CG2 4.21Å; W304-I315 HydrophobicContact CE3-CG2 3.93Å; W304-I315 HydrophobicContact CZ3-CG2 3.72Å; F307-I315 HydrophobicContact CD1-CD1 3.94Å; F307-I315 HydrophobicContact CE1-CD1 3.49Å; F307-I315 VanDerWaalsContact CE1-CD1 3.49Å; F307-I315 HydrophobicContact CE1-CG1 4.48Å; T308-I315 WeakPolarHBondContact OG1-CG2 3.29Å; V311-I315 HydrophobicContact CG2-CD1 3.92Å; V311-I315 HydrophobicContact CG2-CG1 3.79Å; I313-I315 HydrophobicContact CD1-CD1 4.09Å; I313-I315 HydrophobicContact CG1-CD1 4.12Å; I315-C337 HydrophobicContact CB-CB 4.38Å; I315-C337 HydrophobicContact CG2-CB 3.87Å; I315-C337 WeakPolarHBondContact O-CB 3.46Å; I315-N338 PolarHBondContact N-OD1 3.07Å; I315-N338 PolarHBondContact O-N 2.72Å; I315-N338 PolarHBondContact O-OD1 2.9Å; I315-C339 PolarHBondContact O-N 3.02Å |
| 316 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.9 | -171.5 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | S291 I292 E293 D294 W304 Q314 C339 L341 | S291-V316 WeakPolarHBondContact OG-CG2 3.17Å; I292-V316 PolarHBondContact O-N 2.92Å; E293-V316 WeakPolarHBondContact CA-O 3.18Å; E293-V316 HydrophobicContact CB-CB 3.75Å; E293-V316 HydrophobicContact CB-CG1 4.41Å; E293-V316 HydrophobicContact CB-CG2 4.31Å; E293-V316 HydrophobicContact CG-CB 3.92Å; E293-V316 HydrophobicContact CG-CG1 4.11Å; D294-V316 PolarHBondContact N-O 3.06Å; D294-V316 VanDerWaalsContact N-O 3.12Å; W304-V316 WeakPolarHBondContact CH2-O 3.41Å; Q314-V316 HydrophobicContact CG-CG2 3.87Å; V316-C339 CarbonylContact C-O 3.54Å; V316-C339 WeakPolarHBondContact CA-O 3.47Å; V316-C339 HydrophobicContact CB-CB 4.31Å; V316-C339 HydrophobicContact CG1-CB 4.33Å; V316-C339 HydrophobicContact CG2-CB 3.95Å; V316-L341 HydrophobicContact CG1-CB 3.75Å; V316-L341 HydrophobicContact CG1-CD1 4.15Å |
| 317 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T321 C339 L341 | G317-T321 PolarHBondContact O-OG1 2.83Å; G317-C339 PolarHBondContact N-O 3.05Å; G317-L341 PolarHBondContact O-N 3.34Å |
| 318 | D | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -108.8 | -87.1 | 169.3 | 175.5 | 28.2 | 0 | 0 | 0 | 109.6 | E293 D294 L320 T321 V322 L341 K343 Q346 | E293-D318 HydrophobicContact CG-CB 3.89Å; E293-D318 WeakPolarHBondContact OE1-CB 3.08Å; D294-D318 PolarHBondContact OD1-N 2.82Å; D294-D318 WeakPolarHBondContact OD2-CB 3.29Å; D318-L320 PolarHBondContact O-N 2.93Å; D318-T321 PolarHBondContact O-N 2.94Å; D318-T321 PolarHBondContact O-OG1 3.39Å; D318-V322 PolarHBondContact O-N 3.41Å; D318-L341 HydrophobicContact CB-CB 3.87Å; D318-L341 HydrophobicContact CB-CD2 3.65Å; D318-L341 HydrophobicContact CB-CG 4.41Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.22Å; D318-K343 WeakPolarHBondContact OD1-CD 3.18Å; D318-K343 IonicContact OD1-NZ 2.77Å; D318-K343 PolarHBondContact OD1-NZ 3.36Å; D318-K343 IonicContact OD2-NZ 2.67Å; D318-K343 PolarHBondContact OD2-NZ 3.18Å; D318-Q346 PolarHBondContact OD1-NE2 3Å |
| 319 | D | 97.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.7 | 178.2 | -71.3 | -24.5 | 0 | 0 | 0 | 112 | G42 D294 Q298 T321 V322 | G42-D319 VanDerWaalsContact CA-OD1 3.25Å; G42-D319 WeakPolarHBondContact CA-OD1 3.38Å; G42-D319 PolarHBondContact N-OD1 3.03Å; D294-D319 PolarHBondContact OD1-N 2.77Å; D294-D319 VanDerWaalsContact OD2-CB 3.25Å; D294-D319 WeakPolarHBondContact OD2-CB 3.4Å; D294-D319 PolarHBondContact OD2-N 3.41Å; Q298-D319 HydrophobicContact CB-CB 3.96Å; D319-T321 PolarHBondContact O-N 3.39Å; D319-V322 WeakPolarHBondContact O-CG1 3.27Å |
| 320 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -39.1 | 172.4 | 179.8 | 69.7 | 0 | 0 | 0 | 112 | Q298 W301 W304 D318 R327 A331 A336 | Q298-L320 WeakPolarHBondContact O-CD1 3.18Å; W301-L320 HydrophobicContact CD2-CD1 4.02Å; W301-L320 HydrophobicContact CE3-CD1 3.92Å; W301-L320 HydrophobicContact CH2-CD1 3.65Å; W301-L320 HydrophobicContact CH2-CG 4.06Å; W301-L320 HydrophobicContact CZ2-CD1 3.77Å; W301-L320 HydrophobicContact CZ3-CD1 3.68Å; W301-L320 HydrophobicContact CZ3-CD2 4.26Å; W301-L320 HydrophobicContact CZ3-CG 4.14Å; W304-L320 HydrophobicContact CD2-CD1 4.47Å; W304-L320 HydrophobicContact CD2-CD2 3.68Å; W304-L320 HydrophobicContact CE3-CD2 3.72Å; W304-L320 HydrophobicContact CG-CD1 4.47Å; W304-L320 HydrophobicContact CG-CD2 4.21Å; W304-L320 HydrophobicContact CH2-CB 3.96Å; W304-L320 HydrophobicContact CH2-CD2 3.96Å; W304-L320 HydrophobicContact CZ2-CB 3.65Å; W304-L320 HydrophobicContact CZ2-CD2 4Å; W304-L320 HydrophobicContact CZ2-CG 4.27Å; W304-L320 HydrophobicContact CZ3-CD2 3.84Å; D318-L320 PolarHBondContact O-N 2.93Å; L320-R327 WeakPolarHBondContact O-CD 3.24Å; L320-R327 PolarHBondContact O-NE 3.23Å; L320-A331 HydrophobicContact CD2-CB 4.26Å; L320-A336 HydrophobicContact CD2-CB 3.97Å |
| 321 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -24.2 | -169.6 | 59.9 | 0 | 0 | 0 | 0 | 114 | G317 D318 D319 T323 N324 I328 A331 L340 | G317-T321 PolarHBondContact O-OG1 2.83Å; D318-T321 PolarHBondContact O-N 2.94Å; D318-T321 PolarHBondContact O-OG1 3.39Å; D319-T321 PolarHBondContact O-N 3.39Å; T321-T323 PolarHBondContact O-N 3.1Å; T321-N324 WeakPolarHBondContact O-CB 3.41Å; T321-N324 PolarHBondContact O-N 2.8Å; T321-I328 HydrophobicContact CG2-CG1 4.17Å; T321-A331 HydrophobicContact CG2-CB 4.06Å; T321-L340 VanDerWaalsContact OG1-CD1 3.23Å; T321-L340 WeakPolarHBondContact OG1-CD1 3.41Å |
| 322 | V | 97.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 37 | 179 | -68.2 | 0 | 0 | 0 | 0 | 113.8 | E45 D318 D319 N324 Q346 | E45-V322 HydrophobicContact CG-CB 4.14Å; E45-V322 HydrophobicContact CG-CG1 3.69Å; D318-V322 PolarHBondContact O-N 3.41Å; D319-V322 WeakPolarHBondContact O-CG1 3.27Å; V322-N324 HydrophobicContact CG2-CB 3.84Å; V322-N324 PolarHBondContact O-N 2.83Å; V322-Q346 VanDerWaalsContact C-OE1 3.28Å; V322-Q346 HydrophobicContact CB-CB 4.42Å; V322-Q346 WeakPolarHBondContact O-CB 3.31Å |
| 323 | T | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 24.4 | -174.9 | -49.7 | 0 | 0 | 0 | 0 | 113.5 | T321 L341 L342 K343 Q346 I347 A356 | T321-T323 PolarHBondContact O-N 3.1Å; T323-L341 PolarHBondContact OG1-O 3.14Å; T323-L342 HydrophobicContact CG2-CD1 3.47Å; T323-L342 VanDerWaalsContact CG2-CD1 3.47Å; T323-L342 HydrophobicContact CG2-CG 4.15Å; T323-K343 PolarHBondContact OG1-N 3.12Å; T323-K343 PolarHBondContact OG1-O 2.79Å; T323-Q346 PolarHBondContact OG1-OE1 3.35Å; T323-I347 HydrophobicContact CG2-CB 4.06Å; T323-I347 HydrophobicContact CG2-CG2 3.84Å; T323-I347 WeakPolarHBondContact O-CB 3.31Å; T323-I347 WeakPolarHBondContact O-CG1 3.35Å; T323-A356 HydrophobicContact CG2-CB 3.96Å |
| 324 | N | 96.9 | Very high | 98.3 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 19% | 0.193 | 15% | 0.15 | C | C | . | . | trans | -104 | 120 | -173.6 | -174.1 | -47.6 | 0 | 0 | 0 | 111.1 | T321 V322 K326 R327 I328 I347 | T321-N324 WeakPolarHBondContact O-CB 3.41Å; T321-N324 PolarHBondContact O-N 2.8Å; V322-N324 HydrophobicContact CG2-CB 3.84Å; V322-N324 PolarHBondContact O-N 2.83Å; N324-K326 VanDerWaalsContact C-N 3.26Å; N324-K326 PolarHBondContact O-N 2.67Å; N324-K326 VanDerWaalsContact O-N 3.12Å; N324-K326 WeakPolarHBondContact OD1-CB 3.43Å; N324-K326 PolarHBondContact OD1-N 3.09Å; N324-R327 PolarHBondContact O-N 3.05Å; N324-I328 WeakPolarHBondContact O-CG1 3.24Å; N324-I328 PolarHBondContact O-N 3.17Å; N324-I347 HydrophobicContact CB-CD1 4.14Å | ||
| 325 | P | 95.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -50.4 | -40.1 | -178.6 | -31.1 | 36.7 | 0 | 0 | 0 | 114.8 | R327 I328 E329 L359 | P325-R327 PolarHBondContact O-N 3.23Å; P325-I328 PolarHBondContact O-N 3.32Å; P325-E329 WeakPolarHBondContact O-CB 3.46Å; P325-E329 VanDerWaalsContact O-CG 3.29Å; P325-E329 WeakPolarHBondContact O-CG 3.41Å; P325-E329 PolarHBondContact O-N 2.96Å; P325-L359 HydrophobicContact CB-CD2 4Å |
| 326 | K | 96.8 | Very high | 98.3 | Very high | 127 Ų | 127 | 39.9 Ų | 39.9 | 55% | 0.552 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -64.9 | -38.6 | -179.2 | -62.8 | -178.1 | -177.3 | 178.6 | 0 | 112.8 | E101 N324 R330 | E101-K326 IonicContact OE1-NZ 3.69Å; E101-K326 PolarHBondContact OE1-NZ 3.43Å; N324-K326 VanDerWaalsContact C-N 3.26Å; N324-K326 PolarHBondContact O-N 2.67Å; N324-K326 VanDerWaalsContact O-N 3.12Å; N324-K326 WeakPolarHBondContact OD1-CB 3.43Å; N324-K326 PolarHBondContact OD1-N 3.09Å; K326-R330 PolarHBondContact O-N 3Å |
| 327 | R | 98.4 | Very high | 98.3 | Very high | 29 Ų | 29 | 40 Ų | 40 | 11% | 0.109 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.9 | -33.6 | 177.6 | -66.8 | -159.7 | 75.8 | 104.8 | -11.6 | 111.3 | Y44 Q298 D299 W301 L320 N324 P325 R330 A331 | Y44-R327 VanDerWaalsContact CD2-CZ 3.48Å; Y44-R327 VanDerWaalsContact CD2-NH1 3.26Å; Y44-R327 VanDerWaalsContact CE2-CZ 3.42Å; Q298-R327 PolarHBondContact O-NH2 2.68Å; D299-R327 IonicContact OD1-CZ 3.58Å; D299-R327 IonicContact OD1-NH1 2.67Å; D299-R327 IonicContact OD1-NH2 2.78Å; D299-R327 PolarHBondContact OD1-NH2 2.67Å; W301-R327 VanDerWaalsContact CZ2-NH2 3.28Å; L320-R327 WeakPolarHBondContact O-CD 3.24Å; L320-R327 PolarHBondContact O-NE 3.23Å; N324-R327 PolarHBondContact O-N 3.05Å; P325-R327 PolarHBondContact O-N 3.23Å; R327-R330 PolarHBondContact O-N 2.68Å; R327-A331 VanDerWaalsContact O-CB 3.28Å; R327-A331 WeakPolarHBondContact O-CB 3.35Å; R327-A331 PolarHBondContact O-N 3.23Å |
| 328 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.3 | -48.3 | 172.5 | -64.6 | 164.2 | 0 | 0 | 0 | 110.1 | T321 N324 P325 R330 A331 V332 L340 A356 L359 W365 | T321-I328 HydrophobicContact CG2-CG1 4.17Å; N324-I328 WeakPolarHBondContact O-CG1 3.24Å; N324-I328 PolarHBondContact O-N 3.17Å; P325-I328 PolarHBondContact O-N 3.32Å; I328-R330 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3Å; I328-A331 PolarHBondContact O-N 3.05Å; I328-A331 VanDerWaalsContact O-N 3.1Å; I328-V332 HydrophobicContact CG2-CG2 4.37Å; I328-V332 WeakPolarHBondContact O-CG2 3.43Å; I328-V332 PolarHBondContact O-N 3.47Å; I328-L340 HydrophobicContact CD1-CD1 3.9Å; I328-L340 HydrophobicContact CD1-CD2 3.76Å; I328-L340 HydrophobicContact CD1-CG 4.46Å; I328-L340 HydrophobicContact CG1-CD1 4.09Å; I328-A356 HydrophobicContact CD1-CB 3.7Å; I328-L359 HydrophobicContact CB-CD2 3.79Å; I328-L359 HydrophobicContact CG2-CD2 3.57Å; I328-L359 HydrophobicContact CG2-CG 3.82Å; I328-W365 HydrophobicContact CG2-CZ3 4.36Å |
| 329 | E | 98.8 | Very high | 98.3 | Very high | 99 Ų | 99 | 41.7 Ų | 41.7 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53.5 | -50.4 | 175.7 | -76.5 | 166.4 | -178.9 | 0 | 0 | 111.3 | P325 A331 V332 E333 L359 | P325-E329 WeakPolarHBondContact O-CB 3.46Å; P325-E329 VanDerWaalsContact O-CG 3.29Å; P325-E329 WeakPolarHBondContact O-CG 3.41Å; P325-E329 PolarHBondContact O-N 2.96Å; E329-A331 VanDerWaalsContact C-N 3.34Å; E329-A331 PolarHBondContact O-N 3.4Å; E329-V332 WeakPolarHBondContact O-CB 3.27Å; E329-V332 PolarHBondContact O-N 3.5Å; E329-E333 WeakPolarHBondContact O-CG 3.35Å; E329-E333 PolarHBondContact O-N 3.11Å; E329-L359 HydrophobicContact CG-CD1 4.38Å; E329-L359 HydrophobicContact CG-CD2 4.02Å |
| 330 | R | 98.7 | Very high | 98.4 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 37% | 0.366 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.9 | -177.4 | 175.2 | 179.1 | -158.5 | -12 | 112.4 | W301 K326 R327 I328 V332 E333 E334 | W301-R330 HydrophobicContact CE3-CG 4.42Å; W301-R330 VanDerWaalsContact CG-NH2 3.25Å; W301-R330 HydrophobicContact CH2-CB 4.09Å; W301-R330 HydrophobicContact CH2-CG 3.81Å; W301-R330 HydrophobicContact CZ2-CG 4.12Å; W301-R330 HydrophobicContact CZ3-CG 4Å; W301-R330 VanDerWaalsContact NE1-CZ 3.28Å; K326-R330 PolarHBondContact O-N 3Å; R327-R330 PolarHBondContact O-N 2.68Å; I328-R330 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3Å; R330-V332 VanDerWaalsContact C-N 3.31Å; R330-V332 PolarHBondContact O-N 2.91Å; R330-E333 PolarHBondContact O-N 3.04Å; R330-E334 HydrophobicContact CG-CG 4.37Å; R330-E334 IonicContact CZ-OE1 3.24Å; R330-E334 VanDerWaalsContact CZ-OE1 3.28Å; R330-E334 IonicContact NE-OE1 2.62Å; R330-E334 PolarHBondContact NE-OE1 2.84Å; R330-E334 IonicContact NH2-OE1 3.02Å; R330-E334 PolarHBondContact NH2-OE1 3.2Å; R330-E334 WeakPolarHBondContact O-CB 3.49Å; R330-E334 WeakPolarHBondContact O-CG 3.39Å; R330-E334 PolarHBondContact O-N 3.43Å |
| 331 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.2 | -31.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W301 L320 T321 R327 I328 E329 K335 A336 W365 | W301-A331 HydrophobicContact CH2-CB 3.97Å; W301-A331 HydrophobicContact CZ3-CB 3.62Å; L320-A331 HydrophobicContact CD2-CB 4.26Å; T321-A331 HydrophobicContact CG2-CB 4.06Å; R327-A331 VanDerWaalsContact O-CB 3.28Å; R327-A331 WeakPolarHBondContact O-CB 3.35Å; R327-A331 PolarHBondContact O-N 3.23Å; I328-A331 PolarHBondContact O-N 3.05Å; I328-A331 VanDerWaalsContact O-N 3.1Å; E329-A331 VanDerWaalsContact C-N 3.34Å; E329-A331 PolarHBondContact O-N 3.4Å; A331-K335 WeakPolarHBondContact O-CA 3.43Å; A331-K335 PolarHBondContact O-N 3.49Å; A331-A336 HydrophobicContact CB-CB 4.13Å; A331-A336 PolarHBondContact O-N 3Å; A331-W365 HydrophobicContact CB-CH2 3.57Å; A331-W365 HydrophobicContact CB-CZ2 4.44Å; A331-W365 HydrophobicContact CB-CZ3 4.42Å |
| 332 | V | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 19% | 0.188 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.8 | -50.4 | 168.4 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | I328 E329 R330 E334 K335 N363 W365 | I328-V332 HydrophobicContact CG2-CG2 4.37Å; I328-V332 WeakPolarHBondContact O-CG2 3.43Å; I328-V332 PolarHBondContact O-N 3.47Å; E329-V332 WeakPolarHBondContact O-CB 3.27Å; E329-V332 PolarHBondContact O-N 3.5Å; R330-V332 VanDerWaalsContact C-N 3.31Å; R330-V332 PolarHBondContact O-N 2.91Å; V332-E334 PolarHBondContact O-N 3.02Å; V332-K335 PolarHBondContact O-N 3.05Å; V332-K335 VanDerWaalsContact O-N 3.14Å; V332-N363 HydrophobicContact CG1-CB 3.99Å; V332-N363 WeakPolarHBondContact CG1-OD1 3.39Å; V332-N363 HydrophobicContact CG2-CB 3.82Å; V332-W365 HydrophobicContact CB-CZ2 4.21Å; V332-W365 HydrophobicContact CG2-CD2 4.27Å; V332-W365 HydrophobicContact CG2-CH2 3.92Å; V332-W365 HydrophobicContact CG2-CZ2 3.55Å; V332-W365 HydrophobicContact CG2-CZ3 4.41Å |
| 333 | E | 98.7 | Very high | 98.5 | Very high | 158 Ų | 158 | 42 Ų | 42 | 74% | 0.738 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -59.6 | -44.8 | -179.8 | -72.7 | 177.8 | 178.3 | 0 | 0 | 112.2 | E329 R330 K335 | E329-E333 WeakPolarHBondContact O-CG 3.35Å; E329-E333 PolarHBondContact O-N 3.11Å; R330-E333 PolarHBondContact O-N 3.04Å; E333-K335 VanDerWaalsContact C-N 3.26Å; E333-K335 PolarHBondContact O-N 2.77Å |
| 334 | E | 98.8 | Very high | 98.4 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.5 | 180 | -64.7 | -164.1 | -146.2 | 0 | 0 | 113.1 | W301 S305 R330 V332 A336 | W301-E334 WeakPolarHBondContact CB-OE2 3.35Å; W301-E334 HydrophobicContact CE3-CB 4.45Å; S305-E334 WeakPolarHBondContact CB-O 3.36Å; S305-E334 PolarHBondContact OG-O 3.02Å; R330-E334 HydrophobicContact CG-CG 4.37Å; R330-E334 IonicContact CZ-OE1 3.24Å; R330-E334 VanDerWaalsContact CZ-OE1 3.28Å; R330-E334 IonicContact NE-OE1 2.62Å; R330-E334 PolarHBondContact NE-OE1 2.84Å; R330-E334 IonicContact NH2-OE1 3.02Å; R330-E334 PolarHBondContact NH2-OE1 3.2Å; R330-E334 WeakPolarHBondContact O-CB 3.49Å; R330-E334 WeakPolarHBondContact O-CG 3.39Å; R330-E334 PolarHBondContact O-N 3.43Å; V332-E334 PolarHBondContact O-N 3.02Å; E334-A336 HydrophobicContact CB-CB 4.48Å; E334-A336 PolarHBondContact O-N 2.65Å |
| 335 | K | 98.8 | Very high | 98.5 | Very high | 159 Ų | 159 | 41.1 Ų | 41.1 | 69% | 0.691 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 40.5 | -172.7 | -54.5 | -171.8 | 177.7 | -157.4 | 0 | 112.2 | T308 A331 V332 E333 | T308-K335 WeakPolarHBondContact CG2-O 3.31Å; A331-K335 WeakPolarHBondContact O-CA 3.43Å; A331-K335 PolarHBondContact O-N 3.49Å; V332-K335 PolarHBondContact O-N 3.05Å; V332-K335 VanDerWaalsContact O-N 3.14Å; E333-K335 VanDerWaalsContact C-N 3.26Å; E333-K335 PolarHBondContact O-N 2.77Å |
| 336 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -71.1 | -37.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W301 W304 T308 L320 A331 E334 | W301-A336 HydrophobicContact CE3-CB 3.9Å; W301-A336 HydrophobicContact CZ3-CB 3.9Å; W304-A336 CarbonylContact C-O 3.53Å; W304-A336 HydrophobicContact CB-CB 3.91Å; T308-A336 WeakPolarHBondContact CB-O 3.45Å; T308-A336 PolarHBondContact OG1-O 2.7Å; L320-A336 HydrophobicContact CD2-CB 3.97Å; A331-A336 HydrophobicContact CB-CB 4.13Å; A331-A336 PolarHBondContact O-N 3Å; E334-A336 HydrophobicContact CB-CB 4.48Å; E334-A336 PolarHBondContact O-N 2.65Å | ||
| 337 | C | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | trans | -144.3 | -177.9 | 176 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | W304 I315 W365 | W304-C337 HydrophobicContact CE3-CB 4.01Å; W304-C337 HydrophobicContact CZ3-CB 3.8Å; I315-C337 HydrophobicContact CB-CB 4.38Å; I315-C337 HydrophobicContact CG2-CB 3.87Å; I315-C337 WeakPolarHBondContact O-CB 3.46Å; C337-W365 VanDerWaalsContact O-CE2 3.24Å; C337-W365 WeakPolarHBondContact O-CZ2 3.45Å; C337-W365 PolarHBondContact O-NE1 3.47Å; C337-W365 WeakPolarHBondContact SG-CH2 3.49Å; C337-W365 WeakPolarHBondContact SG-CZ3 3.41Å | ||
| 338 | N | 98.9 | Very high | 98.7 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 19% | 0.193 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -139.5 | 16 | 179.9 | 66.1 | 18.4 | 0 | 0 | 0 | 113.4 | I313 Q314 I315 W365 G366 R429 | I313-N338 PolarHBondContact O-ND2 3.47Å; I313-N338 VanDerWaalsContact O-ND2 3.17Å; Q314-N338 WeakPolarHBondContact CA-OD1 3.34Å; I315-N338 PolarHBondContact N-OD1 3.07Å; I315-N338 PolarHBondContact O-N 2.72Å; I315-N338 PolarHBondContact O-OD1 2.9Å; N338-W365 WeakPolarHBondContact O-CA 3.36Å; N338-W365 WeakPolarHBondContact O-CB 3.33Å; N338-G366 PolarHBondContact O-N 3.23Å; N338-G366 VanDerWaalsContact O-N 3.08Å; N338-R429 PolarHBondContact ND2-NH2 3.26Å |
| 339 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 141.5 | 172.6 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | Q314 I315 V316 G317 G366 | Q314-C339 VanDerWaalsContact CD-SG 3.56Å; Q314-C339 HydrophobicContact CG-CB 3.48Å; Q314-C339 VanDerWaalsContact CG-CB 3.48Å; I315-C339 PolarHBondContact O-N 3.02Å; V316-C339 CarbonylContact C-O 3.54Å; V316-C339 WeakPolarHBondContact CA-O 3.47Å; V316-C339 HydrophobicContact CB-CB 4.31Å; V316-C339 HydrophobicContact CG1-CB 4.33Å; V316-C339 HydrophobicContact CG2-CB 3.95Å; G317-C339 PolarHBondContact N-O 3.05Å; C339-G366 CarbonylContact C-O 3.24Å; C339-G366 VanDerWaalsContact CA-O 3.22Å; C339-G366 WeakPolarHBondContact CA-O 3.5Å; C339-G366 PolarHBondContact SG-O 3.14Å |
| 340 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.2 | 171.5 | 170.5 | 63.1 | 0 | 0 | 0 | 109.5 | T321 I328 L342 A356 A360 G366 V367 M368 | T321-L340 VanDerWaalsContact OG1-CD1 3.23Å; T321-L340 WeakPolarHBondContact OG1-CD1 3.41Å; I328-L340 HydrophobicContact CD1-CD1 3.9Å; I328-L340 HydrophobicContact CD1-CD2 3.76Å; I328-L340 HydrophobicContact CD1-CG 4.46Å; I328-L340 HydrophobicContact CG1-CD1 4.09Å; L340-L342 HydrophobicContact CD2-CD1 3.68Å; L340-L342 HydrophobicContact CG-CD1 4.42Å; L340-A356 HydrophobicContact CD2-CB 4.19Å; L340-A360 HydrophobicContact CB-CB 3.89Å; L340-A360 HydrophobicContact CD2-CB 3.98Å; L340-G366 PolarHBondContact N-O 3.25Å; L340-V367 HydrophobicContact CB-CG2 4.33Å; L340-V367 HydrophobicContact CD2-CG1 4.48Å; L340-V367 CarbonylContact O-C 3.47Å; L340-V367 WeakPolarHBondContact O-CA 3.39Å; L340-M368 PolarHBondContact O-N 3.07Å |
| 341 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117.9 | 158.3 | -161.2 | 79.7 | 0 | 0 | 0 | 109.3 | E293 V316 G317 D318 T323 K343 M368 K394 | E293-L341 WeakPolarHBondContact OE1-CD2 3.35Å; E293-L341 WeakPolarHBondContact OE2-CD1 3.36Å; V316-L341 HydrophobicContact CG1-CB 3.75Å; V316-L341 HydrophobicContact CG1-CD1 4.15Å; G317-L341 PolarHBondContact O-N 3.34Å; D318-L341 HydrophobicContact CB-CB 3.87Å; D318-L341 HydrophobicContact CB-CD2 3.65Å; D318-L341 HydrophobicContact CB-CG 4.41Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.22Å; T323-L341 PolarHBondContact OG1-O 3.14Å; L341-K343 HydrophobicContact CD2-CD 3.91Å; L341-K343 HydrophobicContact CD2-CG 4.16Å; L341-M368 CarbonylContact C-O 3.57Å; L341-M368 WeakPolarHBondContact CA-O 3.42Å; L341-M368 HydrophobicContact CD1-CB 3.95Å; L341-M368 HydrophobicContact CD1-CG 3.93Å; L341-M368 HydrophobicContact CD1-SD 3.91Å; L341-K394 HydrophobicContact CD1-CD 3.88Å; L341-K394 HydrophobicContact CD1-CG 4.17Å |
| 342 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 103.2 | -176.6 | -165 | 83.7 | 0 | 0 | 0 | 110.5 | T323 L340 A353 A356 C357 V367 M368 V369 S370 L384 L388 | T323-L342 HydrophobicContact CG2-CD1 3.47Å; T323-L342 VanDerWaalsContact CG2-CD1 3.47Å; T323-L342 HydrophobicContact CG2-CG 4.15Å; L340-L342 HydrophobicContact CD2-CD1 3.68Å; L340-L342 HydrophobicContact CG-CD1 4.42Å; L342-A353 WeakPolarHBondContact CD1-O 3.29Å; L342-A356 HydrophobicContact CD1-CB 4.06Å; L342-C357 HydrophobicContact CD1-CB 4.23Å; L342-C357 HydrophobicContact CD2-CB 4.16Å; L342-V367 HydrophobicContact CB-CG1 3.74Å; L342-V367 HydrophobicContact CD2-CG1 4.42Å; L342-V367 HydrophobicContact CG-CG1 4.47Å; L342-M368 PolarHBondContact N-O 2.9Å; L342-V369 HydrophobicContact CD2-CG2 4.18Å; L342-S370 PolarHBondContact O-N 3.16Å; L342-L384 HydrophobicContact CD2-CD2 4.3Å; L342-L388 HydrophobicContact CD2-CD1 3.47Å; L342-L388 VanDerWaalsContact CD2-CD1 3.47Å |
| 343 | K | 98.8 | Very high | 98.7 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 4% | 0.043 | 11% | 0.112 | C | C | . | . | trans | -113.3 | 106.2 | 173 | -72.6 | 167.9 | 168.5 | 162.6 | 0 | 109.1 | D318 T323 L341 N345 Q346 | D318-K343 WeakPolarHBondContact OD1-CD 3.18Å; D318-K343 IonicContact OD1-NZ 2.77Å; D318-K343 PolarHBondContact OD1-NZ 3.36Å; D318-K343 IonicContact OD2-NZ 2.67Å; D318-K343 PolarHBondContact OD2-NZ 3.18Å; T323-K343 PolarHBondContact OG1-N 3.12Å; T323-K343 PolarHBondContact OG1-O 2.79Å; L341-K343 HydrophobicContact CD2-CD 3.91Å; L341-K343 HydrophobicContact CD2-CG 4.16Å; K343-N345 PolarHBondContact O-N 3.48Å; K343-Q346 HydrophobicContact CB-CB 4.25Å; K343-Q346 HydrophobicContact CB-CG 3.58Å; K343-Q346 HydrophobicContact CD-CG 4.01Å; K343-Q346 HydrophobicContact CG-CG 4.46Å; K343-Q346 WeakPolarHBondContact O-CB 3.26Å; K343-Q346 PolarHBondContact O-N 2.94Å | ||
| 344 | V | 98.3 | Very high | 98.7 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.03 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -54.1 | -31.2 | -176.2 | -68.1 | 0 | 0 | 0 | 0 | 113.9 | L112 G348 A353 L384 | L112-V344 HydrophobicContact CD1-CB 4.09Å; L112-V344 HydrophobicContact CD1-CG2 4.34Å; L112-V344 HydrophobicContact CD2-CG2 4.08Å; V344-G348 PolarHBondContact O-N 3.07Å; V344-A353 HydrophobicContact CB-CB 4.42Å; V344-A353 HydrophobicContact CG1-CB 3.81Å; V344-L384 HydrophobicContact CG1-CD2 3.49Å; V344-L384 VanDerWaalsContact CG1-CD2 3.49Å |
| 345 | N | 98 | Very high | 98.7 | Very high | 11 Ų | 11 | 17.8 Ų | 17.8 | 6% | 0.059 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -81.3 | -16.5 | -179.6 | 80.3 | -47.2 | 0 | 0 | 0 | 114 | P36 L112 K343 I347 R372 | P36-N345 HydrophobicContact CG-CB 4.29Å; P36-N345 PolarHBondContact O-ND2 2.96Å; L112-N345 VanDerWaalsContact CD2-CA 3.44Å; L112-N345 HydrophobicContact CD2-CB 3.4Å; K343-N345 PolarHBondContact O-N 3.48Å; N345-I347 VanDerWaalsContact C-N 3.27Å; N345-R372 PolarHBondContact ND2-NH1 3.44Å; N345-R372 VanDerWaalsContact OD1-CD 3.24Å; N345-R372 WeakPolarHBondContact OD1-CD 3.45Å; N345-R372 WeakPolarHBondContact OD1-CG 3.24Å; N345-R372 PolarHBondContact OD1-NH1 3.46Å |
| 346 | Q | 97.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.8 | -30.6 | 172.6 | -67.9 | -174.5 | -40.5 | 0 | 0 | 111.5 | E45 A46 D318 V322 T323 K343 | E45-Q346 VanDerWaalsContact CD-CG 3.49Å; E45-Q346 HydrophobicContact CG-CB 4.12Å; E45-Q346 HydrophobicContact CG-CG 3.76Å; E45-Q346 PolarHBondContact OE1-NE2 3.35Å; A46-Q346 WeakPolarHBondContact CB-O 3.49Å; A46-Q346 PolarHBondContact N-O 3.24Å; D318-Q346 PolarHBondContact OD1-NE2 3Å; V322-Q346 VanDerWaalsContact C-OE1 3.28Å; V322-Q346 HydrophobicContact CB-CB 4.42Å; V322-Q346 WeakPolarHBondContact O-CB 3.31Å; T323-Q346 PolarHBondContact OG1-OE1 3.35Å; K343-Q346 HydrophobicContact CB-CB 4.25Å; K343-Q346 HydrophobicContact CB-CG 3.58Å; K343-Q346 HydrophobicContact CD-CG 4.01Å; K343-Q346 HydrophobicContact CG-CG 4.46Å; K343-Q346 WeakPolarHBondContact O-CB 3.26Å; K343-Q346 PolarHBondContact O-N 2.94Å |
| 347 | I | 98.3 | Very high | 98.7 | Very high | 8 Ų | 8 | 10.2 Ų | 10.2 | 4% | 0.041 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -102 | -33.7 | 177.1 | -158.9 | 56.3 | 0 | 0 | 0 | 112.8 | K103 T323 N324 N345 E352 A353 | K103-I347 VanDerWaalsContact CD-O 3.27Å; K103-I347 WeakPolarHBondContact CD-O 3.5Å; K103-I347 WeakPolarHBondContact CE-O 3.41Å; K103-I347 PolarHBondContact NZ-O 2.88Å; T323-I347 HydrophobicContact CG2-CB 4.06Å; T323-I347 HydrophobicContact CG2-CG2 3.84Å; T323-I347 WeakPolarHBondContact O-CB 3.31Å; T323-I347 WeakPolarHBondContact O-CG1 3.35Å; N324-I347 HydrophobicContact CB-CD1 4.14Å; N345-I347 VanDerWaalsContact C-N 3.27Å; I347-E352 HydrophobicContact CB-CB 4.4Å; I347-E352 HydrophobicContact CG1-CB 3.51Å; I347-E352 HydrophobicContact CG1-CG 4.29Å; I347-E352 HydrophobicContact CG2-CB 3.97Å; I347-A353 HydrophobicContact CG2-CB 4.03Å |
| 348 | G | 98.2 | Very high | 98.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | 96.1 | 5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | I111 L112 V344 | I111-G348 WeakPolarHBondContact CG2-O 3.4Å; L112-G348 WeakPolarHBondContact CA-O 3.27Å; L112-G348 PolarHBondContact N-O 3.42Å; V344-G348 PolarHBondContact O-N 3.07Å | ||
| 349 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -146.8 | 155.1 | 168.5 | 74.9 | 0 | 0 | 0 | 0 | 111.8 | E352 A353 | S349-E352 WeakPolarHBondContact CB-OE2 3.5Å; S349-E352 WeakPolarHBondContact OG-CB 3.49Å; S349-E352 VanDerWaalsContact OG-CG 3.31Å; S349-E352 WeakPolarHBondContact OG-CG 3.34Å; S349-E352 PolarHBondContact OG-N 3.26Å; S349-E352 VanDerWaalsContact OG-N 3.15Å; S349-E352 PolarHBondContact OG-OE2 3.41Å; S349-A353 WeakPolarHBondContact O-CB 3.25Å; S349-A353 PolarHBondContact O-N 2.82Å |
| 350 | V | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | Q87 S115 L116 C119 A353 I354 F380 | Q87-V350 HydrophobicContact CG-CB 4.42Å; Q87-V350 HydrophobicContact CG-CG1 4.3Å; S115-V350 WeakPolarHBondContact OG-CG2 3.48Å; S115-V350 PolarHBondContact OG-N 2.88Å; L116-V350 HydrophobicContact CD2-CG2 3.66Å; L116-V350 HydrophobicContact CG-CG2 4.38Å; C119-V350 HydrophobicContact CB-CG2 4.45Å; V350-A353 PolarHBondContact O-N 3.37Å; V350-I354 HydrophobicContact CG1-CD1 3.77Å; V350-I354 HydrophobicContact CG1-CG1 4.28Å; V350-I354 VanDerWaalsContact O-CG1 3.32Å; V350-I354 WeakPolarHBondContact O-CG1 3.25Å; V350-I354 PolarHBondContact O-N 2.99Å; V350-F380 HydrophobicContact CG1-CZ 4.25Å; V350-F380 HydrophobicContact CG2-CE1 4.21Å; V350-F380 HydrophobicContact CG2-CE2 4.49Å; V350-F380 HydrophobicContact CG2-CZ 3.7Å |
| 351 | T | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 6% | 0.061 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.7 | -50.7 | 179.3 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | E88 D91 A353 I354 Q355 | E88-T351 WeakPolarHBondContact CA-OG1 3.46Å; E88-T351 HydrophobicContact CB-CG2 4.25Å; E88-T351 HydrophobicContact CG-CG2 4.08Å; D91-T351 WeakPolarHBondContact OD2-CB 3.34Å; D91-T351 PolarHBondContact OD2-N 3.42Å; D91-T351 PolarHBondContact OD2-OG1 2.95Å; T351-A353 VanDerWaalsContact C-N 3.29Å; T351-A353 PolarHBondContact O-N 3.21Å; T351-I354 PolarHBondContact O-N 3.45Å; T351-Q355 VanDerWaalsContact O-CG 3.31Å; T351-Q355 WeakPolarHBondContact O-CG 3.43Å; T351-Q355 PolarHBondContact O-N 3Å |
| 352 | E | 98.8 | Very high | 98.7 | Very high | 33 Ų | 33 | 23.6 Ų | 23.6 | 15% | 0.154 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.2 | -33.3 | 179.8 | -67.8 | 163.6 | 108.5 | 0 | 0 | 111.7 | L95 K103 I347 S349 Q355 A356 | L95-E352 HydrophobicContact CD1-CG 4.19Å; L95-E352 WeakPolarHBondContact CD2-OE2 3.27Å; K103-E352 WeakPolarHBondContact CE-OE2 3.23Å; K103-E352 IonicContact NZ-OE1 2.65Å; K103-E352 PolarHBondContact NZ-OE1 2.98Å; K103-E352 IonicContact NZ-OE2 2.77Å; K103-E352 PolarHBondContact NZ-OE2 2.99Å; I347-E352 HydrophobicContact CB-CB 4.4Å; I347-E352 HydrophobicContact CG1-CB 3.51Å; I347-E352 HydrophobicContact CG1-CG 4.29Å; I347-E352 HydrophobicContact CG2-CB 3.97Å; S349-E352 WeakPolarHBondContact CB-OE2 3.5Å; S349-E352 WeakPolarHBondContact OG-CB 3.49Å; S349-E352 VanDerWaalsContact OG-CG 3.31Å; S349-E352 WeakPolarHBondContact OG-CG 3.34Å; S349-E352 PolarHBondContact OG-N 3.26Å; S349-E352 VanDerWaalsContact OG-N 3.15Å; S349-E352 PolarHBondContact OG-OE2 3.41Å; E352-Q355 PolarHBondContact O-N 2.82Å; E352-A356 WeakPolarHBondContact O-CB 3.45Å; E352-A356 PolarHBondContact O-N 3.13Å |
| 353 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L342 V344 I347 S349 V350 T351 Q355 A356 C357 | L342-A353 WeakPolarHBondContact CD1-O 3.29Å; V344-A353 HydrophobicContact CB-CB 4.42Å; V344-A353 HydrophobicContact CG1-CB 3.81Å; I347-A353 HydrophobicContact CG2-CB 4.03Å; S349-A353 WeakPolarHBondContact O-CB 3.25Å; S349-A353 PolarHBondContact O-N 2.82Å; V350-A353 PolarHBondContact O-N 3.37Å; T351-A353 VanDerWaalsContact C-N 3.29Å; T351-A353 PolarHBondContact O-N 3.21Å; A353-Q355 VanDerWaalsContact C-N 3.33Å; A353-A356 PolarHBondContact O-N 3.05Å; A353-C357 WeakPolarHBondContact O-CB 3.32Å; A353-C357 PolarHBondContact O-N 3.21Å |
| 354 | I | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 172.9 | -66.9 | 170.5 | 0 | 0 | 0 | 109.8 | L137 A138 V350 T351 C357 K358 L388 | L137-I354 HydrophobicContact CB-CD1 3.82Å; L137-I354 HydrophobicContact CD1-CD1 4.35Å; A138-I354 HydrophobicContact CB-CG2 4.01Å; V350-I354 HydrophobicContact CG1-CD1 3.77Å; V350-I354 HydrophobicContact CG1-CG1 4.28Å; V350-I354 VanDerWaalsContact O-CG1 3.32Å; V350-I354 WeakPolarHBondContact O-CG1 3.25Å; V350-I354 PolarHBondContact O-N 2.99Å; T351-I354 PolarHBondContact O-N 3.45Å; I354-C357 WeakPolarHBondContact O-CB 3.41Å; I354-C357 PolarHBondContact O-N 3.11Å; I354-K358 HydrophobicContact CG2-CD 4.14Å; I354-K358 HydrophobicContact CG2-CG 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.46Å; I354-K358 PolarHBondContact O-N 3.29Å; I354-L388 HydrophobicContact CG1-CD2 4.08Å; I354-L388 HydrophobicContact CG2-CD2 4.35Å |
| 355 | Q | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 31 Ų | 31 | 40% | 0.402 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.6 | -71.4 | 169.5 | -6.9 | 0 | 0 | 112.2 | T351 E352 A353 K358 L359 | T351-Q355 VanDerWaalsContact O-CG 3.31Å; T351-Q355 WeakPolarHBondContact O-CG 3.43Å; T351-Q355 PolarHBondContact O-N 3Å; E352-Q355 PolarHBondContact O-N 2.82Å; A353-Q355 VanDerWaalsContact C-N 3.33Å; Q355-K358 PolarHBondContact O-N 3Å; Q355-L359 WeakPolarHBondContact O-CB 3.48Å; Q355-L359 PolarHBondContact O-N 3.45Å |
| 356 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T323 I328 L340 L342 E352 A353 L359 A360 | T323-A356 HydrophobicContact CG2-CB 3.96Å; I328-A356 HydrophobicContact CD1-CB 3.7Å; L340-A356 HydrophobicContact CD2-CB 4.19Å; L342-A356 HydrophobicContact CD1-CB 4.06Å; E352-A356 WeakPolarHBondContact O-CB 3.45Å; E352-A356 PolarHBondContact O-N 3.13Å; A353-A356 PolarHBondContact O-N 3.05Å; A356-L359 PolarHBondContact O-N 3.42Å; A356-A360 PolarHBondContact O-N 2.87Å |
| 357 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | L342 A353 I354 A360 Q361 V367 L388 | L342-C357 HydrophobicContact CD1-CB 4.23Å; L342-C357 HydrophobicContact CD2-CB 4.16Å; A353-C357 WeakPolarHBondContact O-CB 3.32Å; A353-C357 PolarHBondContact O-N 3.21Å; I354-C357 WeakPolarHBondContact O-CB 3.41Å; I354-C357 PolarHBondContact O-N 3.11Å; C357-A360 PolarHBondContact O-N 2.88Å; C357-Q361 WeakPolarHBondContact O-CG 3.39Å; C357-Q361 PolarHBondContact O-N 3.34Å; C357-Q361 PolarHBondContact SG-OE1 3.18Å; C357-Q361 VanDerWaalsContact SG-OE1 3.39Å; C357-V367 HydrophobicContact CB-CG1 4.46Å; C357-L388 HydrophobicContact CB-CD1 4Å; C357-L388 HydrophobicContact CB-CD2 4.36Å |
| 358 | K | 98.8 | Very high | 98.8 | Very high | 83 Ų | 83 | 30.5 Ų | 30.5 | 36% | 0.361 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 179.1 | -72.5 | -179 | 65.2 | 171 | 0 | 111.8 | I354 Q355 A360 Q361 E362 | I354-K358 HydrophobicContact CG2-CD 4.14Å; I354-K358 HydrophobicContact CG2-CG 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.46Å; I354-K358 PolarHBondContact O-N 3.29Å; Q355-K358 PolarHBondContact O-N 3Å; K358-A360 VanDerWaalsContact C-N 3.29Å; K358-A360 PolarHBondContact O-N 3.34Å; K358-Q361 PolarHBondContact O-N 2.84Å; K358-E362 VanDerWaalsContact O-CB 3.3Å; K358-E362 WeakPolarHBondContact O-CB 3.17Å; K358-E362 VanDerWaalsContact O-CG 3.23Å; K358-E362 WeakPolarHBondContact O-CG 3.28Å; K358-E362 PolarHBondContact O-N 2.79Å |
| 359 | L | 98.8 | Very high | 98.8 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.2 | -44.2 | 176.5 | 174.7 | 64.8 | 0 | 0 | 0 | 111.6 | P325 I328 E329 Q355 A356 N363 | P325-L359 HydrophobicContact CB-CD2 4Å; I328-L359 HydrophobicContact CB-CD2 3.79Å; I328-L359 HydrophobicContact CG2-CD2 3.57Å; I328-L359 HydrophobicContact CG2-CG 3.82Å; E329-L359 HydrophobicContact CG-CD1 4.38Å; E329-L359 HydrophobicContact CG-CD2 4.02Å; Q355-L359 WeakPolarHBondContact O-CB 3.48Å; Q355-L359 PolarHBondContact O-N 3.45Å; A356-L359 PolarHBondContact O-N 3.42Å; L359-N363 PolarHBondContact O-N 3.01Å; L359-N363 PolarHBondContact O-ND2 3.08Å |
| 360 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -50.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L340 A356 C357 K358 E362 N363 G364 W365 V367 | L340-A360 HydrophobicContact CB-CB 3.89Å; L340-A360 HydrophobicContact CD2-CB 3.98Å; A356-A360 PolarHBondContact O-N 2.87Å; C357-A360 PolarHBondContact O-N 2.88Å; K358-A360 VanDerWaalsContact C-N 3.29Å; K358-A360 PolarHBondContact O-N 3.34Å; A360-E362 PolarHBondContact O-N 3.42Å; A360-N363 CarbonylContact O-C 3.37Å; A360-N363 PolarHBondContact O-N 2.88Å; A360-N363 VanDerWaalsContact O-N 3.11Å; A360-G364 PolarHBondContact O-N 3.41Å; A360-W365 HydrophobicContact CB-CB 4.15Å; A360-W365 HydrophobicContact CB-CE3 4.37Å; A360-W365 WeakPolarHBondContact O-CB 3.32Å; A360-W365 PolarHBondContact O-N 3.44Å; A360-V367 HydrophobicContact CB-CG2 3.69Å |
| 361 | Q | 98.7 | Very high | 98.8 | Very high | 65 Ų | 65 | 30.8 Ų | 30.8 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63 | -39.6 | -179.2 | -72 | 172.1 | -40.9 | 0 | 0 | 112.8 | C357 K358 N363 G364 V367 L388 | C357-Q361 WeakPolarHBondContact O-CG 3.39Å; C357-Q361 PolarHBondContact O-N 3.34Å; C357-Q361 PolarHBondContact SG-OE1 3.18Å; C357-Q361 VanDerWaalsContact SG-OE1 3.39Å; K358-Q361 PolarHBondContact O-N 2.84Å; Q361-N363 PolarHBondContact O-N 3.14Å; Q361-G364 PolarHBondContact O-N 2.85Å; Q361-V367 HydrophobicContact CG-CG2 3.91Å; Q361-L388 PolarHBondContact NE2-O 3.19Å |
| 362 | E | 98.6 | Very high | 98.7 | Very high | 141 Ų | 141 | 30.5 Ų | 30.5 | 66% | 0.659 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -62.6 | -27.5 | 175.7 | -74.9 | 170.2 | -171.4 | 0 | 0 | 112.3 | K358 A360 G364 | K358-E362 VanDerWaalsContact O-CB 3.3Å; K358-E362 WeakPolarHBondContact O-CB 3.17Å; K358-E362 VanDerWaalsContact O-CG 3.23Å; K358-E362 WeakPolarHBondContact O-CG 3.28Å; K358-E362 PolarHBondContact O-N 2.79Å; A360-E362 PolarHBondContact O-N 3.42Å; E362-G364 VanDerWaalsContact C-N 3.32Å |
| 363 | N | 98.7 | Very high | 98.4 | Very high | 77 Ų | 77 | 29.1 Ų | 29.1 | 41% | 0.412 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 13.1 | 174.3 | -73.6 | -75.7 | 0 | 0 | 0 | 113.5 | V332 L359 A360 Q361 W365 | V332-N363 HydrophobicContact CG1-CB 3.99Å; V332-N363 WeakPolarHBondContact CG1-OD1 3.39Å; V332-N363 HydrophobicContact CG2-CB 3.82Å; L359-N363 PolarHBondContact O-N 3.01Å; L359-N363 PolarHBondContact O-ND2 3.08Å; A360-N363 CarbonylContact O-C 3.37Å; A360-N363 PolarHBondContact O-N 2.88Å; A360-N363 VanDerWaalsContact O-N 3.11Å; Q361-N363 PolarHBondContact O-N 3.14Å; N363-W365 VanDerWaalsContact C-N 3.3Å; N363-W365 PolarHBondContact O-N 3.23Å |
| 364 | G | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 29.1 Ų | 29.1 | 71% | 0.711 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74 | 17.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A360 Q361 E362 | A360-G364 PolarHBondContact O-N 3.41Å; Q361-G364 PolarHBondContact O-N 2.85Å; E362-G364 VanDerWaalsContact C-N 3.32Å |
| 365 | W | 98.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 10% | 0.095 | 16% | 0.157 | C | C | . | . | trans | -86 | 152.8 | 175.9 | -69.7 | 12.3 | 0 | 0 | 0 | 111.9 | I328 A331 V332 C337 N338 A360 N363 | I328-W365 HydrophobicContact CG2-CZ3 4.36Å; A331-W365 HydrophobicContact CB-CH2 3.57Å; A331-W365 HydrophobicContact CB-CZ2 4.44Å; A331-W365 HydrophobicContact CB-CZ3 4.42Å; V332-W365 HydrophobicContact CB-CZ2 4.21Å; V332-W365 HydrophobicContact CG2-CD2 4.27Å; V332-W365 HydrophobicContact CG2-CH2 3.92Å; V332-W365 HydrophobicContact CG2-CZ2 3.55Å; V332-W365 HydrophobicContact CG2-CZ3 4.41Å; C337-W365 VanDerWaalsContact O-CE2 3.24Å; C337-W365 WeakPolarHBondContact O-CZ2 3.45Å; C337-W365 PolarHBondContact O-NE1 3.47Å; C337-W365 WeakPolarHBondContact SG-CH2 3.49Å; C337-W365 WeakPolarHBondContact SG-CZ3 3.41Å; N338-W365 WeakPolarHBondContact O-CA 3.36Å; N338-W365 WeakPolarHBondContact O-CB 3.33Å; A360-W365 HydrophobicContact CB-CB 4.15Å; A360-W365 HydrophobicContact CB-CE3 4.37Å; A360-W365 WeakPolarHBondContact O-CB 3.32Å; A360-W365 PolarHBondContact O-N 3.44Å; N363-W365 VanDerWaalsContact C-N 3.3Å; N363-W365 PolarHBondContact O-N 3.23Å | ||
| 366 | G | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 25 Ų | 25 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 162.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N338 C339 L340 R429 | N338-G366 PolarHBondContact O-N 3.23Å; N338-G366 VanDerWaalsContact O-N 3.08Å; C339-G366 CarbonylContact C-O 3.24Å; C339-G366 VanDerWaalsContact CA-O 3.22Å; C339-G366 WeakPolarHBondContact CA-O 3.5Å; C339-G366 PolarHBondContact SG-O 3.14Å; L340-G366 PolarHBondContact N-O 3.25Å; G366-R429 WeakPolarHBondContact CA-O 3.21Å |
| 367 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.2 | 169.7 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | L340 L342 C357 A360 Q361 T390 Q392 | L340-V367 HydrophobicContact CB-CG2 4.33Å; L340-V367 HydrophobicContact CD2-CG1 4.48Å; L340-V367 CarbonylContact O-C 3.47Å; L340-V367 WeakPolarHBondContact O-CA 3.39Å; L342-V367 HydrophobicContact CB-CG1 3.74Å; L342-V367 HydrophobicContact CD2-CG1 4.42Å; L342-V367 HydrophobicContact CG-CG1 4.47Å; C357-V367 HydrophobicContact CB-CG1 4.46Å; A360-V367 HydrophobicContact CB-CG2 3.69Å; Q361-V367 HydrophobicContact CG-CG2 3.91Å; V367-T390 HydrophobicContact CB-CG2 3.98Å; V367-T390 HydrophobicContact CG1-CG2 4.03Å; V367-T390 WeakPolarHBondContact O-CB 3.18Å; V367-T390 PolarHBondContact O-OG1 2.84Å; V367-Q392 WeakPolarHBondContact O-CG 3.39Å |
| 368 | M | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 108.4 | 173.3 | -176.2 | -177.7 | -62.5 | 0 | 0 | 109 | A149 L340 L341 L342 S370 Q392 K394 | A149-M368 HydrophobicContact CB-CE 4.49Å; A149-M368 HydrophobicContact CB-SD 4.49Å; L340-M368 PolarHBondContact O-N 3.07Å; L341-M368 CarbonylContact C-O 3.57Å; L341-M368 WeakPolarHBondContact CA-O 3.42Å; L341-M368 HydrophobicContact CD1-CB 3.95Å; L341-M368 HydrophobicContact CD1-CG 3.93Å; L341-M368 HydrophobicContact CD1-SD 3.91Å; L342-M368 PolarHBondContact N-O 2.9Å; M368-S370 PolarHBondContact O-N 3.04Å; M368-Q392 HydrophobicContact CB-CG 4.03Å; M368-Q392 HydrophobicContact CG-CG 4.39Å; M368-K394 HydrophobicContact CG-CB 4.43Å; M368-K394 HydrophobicContact CG-CG 4.47Å; M368-K394 HydrophobicContact SD-CB 3.75Å; M368-K394 HydrophobicContact SD-CD 3.97Å; M368-K394 HydrophobicContact SD-CG 3.92Å |
| 369 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 136.9 | 172 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | L342 I381 L384 V385 L388 T390 Q392 I393 K394 | L342-V369 HydrophobicContact CD2-CG2 4.18Å; V369-I381 HydrophobicContact CG1-CB 3.84Å; V369-I381 HydrophobicContact CG1-CG2 4.29Å; V369-L384 HydrophobicContact CG1-CD2 4.14Å; V369-V385 HydrophobicContact CB-CB 3.83Å; V369-V385 HydrophobicContact CB-CG2 4.02Å; V369-V385 HydrophobicContact CG1-CB 4.24Å; V369-V385 HydrophobicContact CG2-CB 3.77Å; V369-V385 HydrophobicContact CG2-CG2 3.91Å; V369-L388 HydrophobicContact CG2-CD1 4.43Å; V369-T390 HydrophobicContact CG2-CG2 4.01Å; V369-Q392 PolarHBondContact N-O 3.11Å; V369-I393 HydrophobicContact CB-CG1 4.5Å; V369-I393 CarbonylContact O-C 3.6Å; V369-I393 VanDerWaalsContact O-CA 3.31Å; V369-I393 WeakPolarHBondContact O-CA 3.42Å; V369-I393 WeakPolarHBondContact O-CG1 3.47Å; V369-K394 PolarHBondContact O-N 3.4Å |
| 370 | S | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145 | -173.1 | -178.5 | 0 | 0 | 0 | 0 | 113 | L342 M368 K394 | L342-S370 PolarHBondContact O-N 3.16Å; M368-S370 PolarHBondContact O-N 3.04Å; S370-K394 WeakPolarHBondContact CA-O 3.4Å; S370-K394 WeakPolarHBondContact OG-CE 3.37Å; S370-K394 WeakPolarHBondContact OG-CG 3.42Å |
| 371 | H | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | trans | -71.9 | -173 | 160.4 | 71.7 | 172.8 | 0 | 0 | 0 | 112.3 | E210 E375 I381 K394 T395 G396 R403 | E210-H371 IonicContact OE1-CE1 2.7Å; E210-H371 IonicContact OE1-NE2 3.6Å; E210-H371 PolarHBondContact OE1-NE2 3.02Å; E210-H371 IonicContact OE2-CE1 3.53Å; E210-H371 PolarHBondContact OE2-CE1 2.87Å; E210-H371 VanDerWaalsContact OE2-CE1 3.28Å; E210-H371 IonicContact OE2-NE2 2.83Å; E210-H371 PolarHBondContact OE2-NE2 3.43Å; H371-E375 HydrophobicContact CB-CG 3.79Å; H371-I381 HydrophobicContact CB-CD1 3.77Å; H371-K394 PolarHBondContact N-O 2.92Å; H371-T395 VanDerWaalsContact CE1-C 3.41Å; H371-T395 WeakPolarHBondContact ND1-CA 3.37Å; H371-T395 PolarHBondContact ND1-O 2.93Å; H371-G396 WeakPolarHBondContact CE1-CA 3.4Å; H371-G396 PolarHBondContact CE1-N 2.92Å; H371-G396 PolarHBondContact ND1-N 3.03Å; H371-R403 PolarHBondContact ND1-NH1 2.89Å | ||
| 372 | R | 97.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | trans | -119.8 | 163.5 | 159.2 | -53.2 | -61.4 | -65.1 | -101.1 | 10.7 | 110.5 | P36 S37 S40 E45 N345 G374 E375 R403 | P36-R372 HydrophobicContact CB-CB 4.01Å; P36-R372 HydrophobicContact CB-CG 3.83Å; P36-R372 HydrophobicContact CG-CG 3.96Å; S37-R372 VanDerWaalsContact O-CB 3.26Å; S37-R372 WeakPolarHBondContact O-CB 3.38Å; S40-R372 PolarHBondContact O-NH2 3.15Å; E45-R372 IonicContact OE1-CZ 2.87Å; E45-R372 IonicContact OE1-NH1 3.28Å; E45-R372 IonicContact OE1-NH2 3.52Å; E45-R372 PolarHBondContact OE1-NH2 2.87Å; E45-R372 IonicContact OE2-CZ 3.82Å; E45-R372 IonicContact OE2-NH1 2.85Å; E45-R372 PolarHBondContact OE2-NH1 2.62Å; E45-R372 IonicContact OE2-NH2 3.59Å; E45-R372 PolarHBondContact OE2-NH2 2.91Å; N345-R372 PolarHBondContact ND2-NH1 3.44Å; N345-R372 VanDerWaalsContact OD1-CD 3.24Å; N345-R372 WeakPolarHBondContact OD1-CD 3.45Å; N345-R372 WeakPolarHBondContact OD1-CG 3.24Å; N345-R372 PolarHBondContact OD1-NH1 3.46Å; R372-G374 VanDerWaalsContact C-N 3.32Å; R372-G374 PolarHBondContact O-N 3.29Å; R372-E375 WeakPolarHBondContact O-CG 3.14Å; R372-R403 PolarHBondContact O-NH1 3.06Å | ||
| 373 | S | 92.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -64 | -32.7 | 176.5 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | S14 A39 H158 E210 R403 | S14-S373 PolarHBondContact OG-O 3.02Å; A39-S373 WeakPolarHBondContact CB-OG 3.2Å; A39-S373 PolarHBondContact N-OG 3.48Å; A39-S373 VanDerWaalsContact N-OG 3.1Å; H158-S373 VanDerWaalsContact NE2-CB 3.29Å; H158-S373 WeakPolarHBondContact NE2-CB 3.39Å; H158-S373 PolarHBondContact NE2-OG 3.1Å; E210-S373 WeakPolarHBondContact OE1-CA 3.44Å; E210-S373 WeakPolarHBondContact OE1-CB 3.41Å; S373-R403 PolarHBondContact O-NH2 2.97Å |
| 374 | G | 96.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -91.3 | 93.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D13 P36 S37 R372 | D13-G374 WeakPolarHBondContact OD2-CA 3.21Å; P36-G374 CarbonylContact C-O 3.47Å; P36-G374 WeakPolarHBondContact CA-O 3.45Å; P36-G374 WeakPolarHBondContact CB-O 3.49Å; S37-G374 PolarHBondContact N-O 2.85Å; S37-G374 CarbonylContact O-C 3.51Å; S37-G374 WeakPolarHBondContact O-CA 3.36Å; S37-G374 PolarHBondContact O-N 3.43Å; R372-G374 VanDerWaalsContact C-N 3.32Å; R372-G374 PolarHBondContact O-N 3.29Å |
| 375 | E | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 12.4 Ų | 12.4 | 3% | 0.028 | 6% | 0.063 | C | C | . | . | trans | -101.3 | 174.7 | 177.4 | -105.9 | -71 | -171.7 | 0 | 0 | 112.2 | D13 S14 H371 R372 E402 K406 | D13-E375 CarbonylContact C-O 3.6Å; D13-E375 WeakPolarHBondContact CA-O 3.48Å; S14-E375 WeakPolarHBondContact CB-O 3.44Å; S14-E375 PolarHBondContact N-O 2.62Å; S14-E375 PolarHBondContact OG-N 2.92Å; S14-E375 PolarHBondContact OG-O 2.71Å; H371-E375 HydrophobicContact CB-CG 3.79Å; R372-E375 WeakPolarHBondContact O-CG 3.14Å; E375-E402 HydrophobicContact CB-CB 3.89Å; E375-E402 HydrophobicContact CB-CG 3.63Å; E375-K406 VanDerWaalsContact CD-CE 3.42Å; E375-K406 WeakPolarHBondContact OE1-CE 3.28Å; E375-K406 IonicContact OE1-NZ 3.97Å; E375-K406 PolarHBondContact OE1-NZ 2.82Å; E375-K406 WeakPolarHBondContact OE2-CE 3.48Å; E375-K406 IonicContact OE2-NZ 3.79Å; E375-K406 PolarHBondContact OE2-NZ 3.3Å | ||
| 376 | T | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 11.2 Ų | 11.2 | 3% | 0.025 | 6% | 0.058 | C | C | . | . | trans | -125.1 | -178.6 | 175.9 | 68.3 | 0 | 0 | 0 | 0 | 109.6 | I11 T19 A34 D378 E402 K406 | I11-T376 HydrophobicContact CD1-CG2 4.45Å; T19-T376 HydrophobicContact CG2-CG2 3.9Å; A34-T376 HydrophobicContact CB-CG2 3.9Å; T376-D378 PolarHBondContact O-N 2.96Å; T376-D378 VanDerWaalsContact OG1-CB 3.24Å; T376-D378 WeakPolarHBondContact OG1-CB 3.47Å; T376-D378 PolarHBondContact OG1-N 2.91Å; T376-D378 VanDerWaalsContact OG1-N 3.15Å; T376-E402 WeakPolarHBondContact O-CB 3.3Å; T376-K406 PolarHBondContact O-NZ 3.23Å | ||
| 377 | E | 98.7 | Very high | 98.4 | Very high | 127 Ų | 127 | 10.9 Ų | 10.9 | 59% | 0.593 | 6% | 0.055 | S | C | * | . | S | Bend | trans | -71.6 | -8.8 | 169.8 | 64.8 | -93.6 | -121.8 | 0 | 0 | 113.8 | T379 | E377-T379 PolarHBondContact O-N 2.7Š|
| 378 | D | 98.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 10.9 Ų | 10.9 | 9% | 0.091 | 6% | 0.055 | C | C | . | . | trans | -61 | 135 | -179.1 | -163 | -51 | 0 | 0 | 0 | 111 | A33 A34 K120 T376 F380 K406 | A33-D378 WeakPolarHBondContact CA-OD2 3.32Å; A34-D378 HydrophobicContact CB-CB 4.34Å; A34-D378 PolarHBondContact N-OD2 2.83Å; K120-D378 IonicContact NZ-OD1 2.71Å; K120-D378 PolarHBondContact NZ-OD1 2.81Å; K120-D378 IonicContact NZ-OD2 3.69Å; K120-D378 PolarHBondContact NZ-OD2 2.78Å; T376-D378 PolarHBondContact O-N 2.96Å; T376-D378 VanDerWaalsContact OG1-CB 3.24Å; T376-D378 WeakPolarHBondContact OG1-CB 3.47Å; T376-D378 PolarHBondContact OG1-N 2.91Å; T376-D378 VanDerWaalsContact OG1-N 3.15Å; D378-F380 VanDerWaalsContact OD1-CB 3.24Å; D378-F380 WeakPolarHBondContact OD1-CB 3.45Å; D378-F380 PolarHBondContact OD1-N 2.83Å; D378-K406 WeakPolarHBondContact O-CD 3.34Å; D378-K406 WeakPolarHBondContact O-CE 3.46Å; D378-K406 PolarHBondContact O-NZ 3.23Å | ||
| 379 | T | 98.9 | Very high | 98.4 | Very high | 34 Ų | 34 | 11.5 Ų | 11.5 | 21% | 0.209 | 6% | 0.059 | C | C | . | . | trans | -105.4 | 12 | -177.5 | 61 | 0 | 0 | 0 | 0 | 114 | E377 I381 A382 A405 Q409 | E377-T379 PolarHBondContact O-N 2.7Å; T379-I381 PolarHBondContact O-N 3.38Å; T379-I381 VanDerWaalsContact O-N 3.09Å; T379-A382 VanDerWaalsContact O-CB 3.28Å; T379-A382 WeakPolarHBondContact O-CB 3.25Å; T379-A382 PolarHBondContact O-N 2.8Å; T379-A405 HydrophobicContact CG2-CB 3.8Å; T379-A405 WeakPolarHBondContact CG2-O 3.49Å; T379-Q409 HydrophobicContact CG2-CB 4.1Å | ||
| 380 | F | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 11.6 Ų | 11.6 | 2% | 0.022 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -49.6 | -42.9 | -172.2 | -174.2 | -89 | 0 | 0 | 0 | 113.7 | L116 C119 L130 I134 V350 D378 A382 D383 L384 | L116-F380 HydrophobicContact CB-CD2 4.4Å; L116-F380 HydrophobicContact CB-CE2 4.48Å; L116-F380 HydrophobicContact CD2-CB 4.44Å; L116-F380 HydrophobicContact CD2-CD1 3.41Å; L116-F380 VanDerWaalsContact CD2-CD1 3.41Å; L116-F380 HydrophobicContact CD2-CD2 3.69Å; L116-F380 HydrophobicContact CD2-CE1 3.36Å; L116-F380 HydrophobicContact CD2-CE2 3.66Å; L116-F380 HydrophobicContact CD2-CG 3.58Å; L116-F380 HydrophobicContact CD2-CZ 3.5Å; L116-F380 VanDerWaalsContact CD2-CZ 3.5Å; C119-F380 HydrophobicContact CB-CE2 3.91Å; C119-F380 HydrophobicContact CB-CZ 4.29Å; L130-F380 HydrophobicContact CD1-CE2 4.26Å; L130-F380 HydrophobicContact CD2-CD2 3.81Å; L130-F380 HydrophobicContact CD2-CE2 4.15Å; I134-F380 HydrophobicContact CD1-CE1 4.32Å; I134-F380 HydrophobicContact CD1-CE2 4.19Å; I134-F380 HydrophobicContact CD1-CZ 3.88Å; V350-F380 HydrophobicContact CG1-CZ 4.25Å; V350-F380 HydrophobicContact CG2-CE1 4.21Å; V350-F380 HydrophobicContact CG2-CE2 4.49Å; V350-F380 HydrophobicContact CG2-CZ 3.7Å; D378-F380 VanDerWaalsContact OD1-CB 3.24Å; D378-F380 WeakPolarHBondContact OD1-CB 3.45Å; D378-F380 PolarHBondContact OD1-N 2.83Å; F380-A382 PolarHBondContact O-N 3.33Å; F380-D383 PolarHBondContact O-N 2.79Å; F380-D383 VanDerWaalsContact O-N 3.14Å; F380-L384 HydrophobicContact CD1-CB 4.17Å; F380-L384 HydrophobicContact CD1-CD2 4.42Å; F380-L384 HydrophobicContact CE1-CB 4.09Å; F380-L384 HydrophobicContact CE1-CD1 3.97Å; F380-L384 HydrophobicContact CE1-CD2 4.14Å; F380-L384 HydrophobicContact CE1-CG 4.29Å; F380-L384 WeakPolarHBondContact O-CB 3.49Å; F380-L384 PolarHBondContact O-N 3.29Å |
| 381 | I | 98.9 | Very high | 98.4 | Very high | 11 Ų | 11 | 11.4 Ų | 11.4 | 6% | 0.056 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -68.2 | -20 | -176.5 | 62.8 | 171.7 | 0 | 0 | 0 | 114 | V369 H371 T379 L384 V385 I393 K406 | V369-I381 HydrophobicContact CG1-CB 3.84Å; V369-I381 HydrophobicContact CG1-CG2 4.29Å; H371-I381 HydrophobicContact CB-CD1 3.77Å; T379-I381 PolarHBondContact O-N 3.38Å; T379-I381 VanDerWaalsContact O-N 3.09Å; I381-L384 HydrophobicContact CG2-CD2 4.46Å; I381-V385 WeakPolarHBondContact O-CG1 3.19Å; I381-V385 PolarHBondContact O-N 3.39Å; I381-I393 HydrophobicContact CD1-CD1 4.47Å; I381-I393 HydrophobicContact CG1-CD1 4.4Å; I381-K406 HydrophobicContact CD1-CG 4.02Å; I381-K406 HydrophobicContact CG1-CG 3.59Å |
| 382 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -69 | -43.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T379 F380 V385 V386 K406 Q409 L410 | T379-A382 VanDerWaalsContact O-CB 3.28Å; T379-A382 WeakPolarHBondContact O-CB 3.25Å; T379-A382 PolarHBondContact O-N 2.8Å; F380-A382 PolarHBondContact O-N 3.33Å; A382-V385 VanDerWaalsContact O-CG1 3.29Å; A382-V385 WeakPolarHBondContact O-CG1 3.36Å; A382-V386 WeakPolarHBondContact O-CG2 3.28Å; A382-K406 HydrophobicContact CB-CB 4.21Å; A382-K406 WeakPolarHBondContact CB-O 3.1Å; A382-Q409 HydrophobicContact CB-CB 3.75Å; A382-Q409 HydrophobicContact CB-CG 3.65Å; A382-L410 HydrophobicContact CB-CD2 4.12Å; A382-L410 HydrophobicContact CB-CG 3.83Å; A382-L410 WeakPolarHBondContact O-CD2 3.16Å |
| 383 | D | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 11 Ų | 11 | 3% | 0.032 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -70.7 | -35.5 | 173.6 | -71.8 | -100.5 | 0 | 0 | 0 | 111.6 | L130 Y131 I134 F380 V386 G387 Q409 | L130-D383 HydrophobicContact CB-CB 4.05Å; L130-D383 WeakPolarHBondContact CB-OD1 3.44Å; L130-D383 HydrophobicContact CD2-CB 3.7Å; L130-D383 HydrophobicContact CG-CB 3.71Å; Y131-D383 WeakPolarHBondContact CB-O 3.4Å; Y131-D383 WeakPolarHBondContact CD1-OD1 3.35Å; Y131-D383 PolarHBondContact N-OD1 3.34Å; Y131-D383 VanDerWaalsContact N-OD1 3.09Å; I134-D383 HydrophobicContact CD1-CB 4.23Å; F380-D383 PolarHBondContact O-N 2.79Å; F380-D383 VanDerWaalsContact O-N 3.14Å; D383-V386 PolarHBondContact O-N 3.02Å; D383-G387 PolarHBondContact O-N 3.15Å; D383-Q409 WeakPolarHBondContact OD2-CG 3.39Å; D383-Q409 PolarHBondContact OD2-NE2 3.19Å; D383-Q409 VanDerWaalsContact OD2-NE2 3.1Å |
| 384 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.5 | -50.1 | 178.3 | -173.9 | 66 | 0 | 0 | 0 | 112.1 | I134 L342 V344 V369 F380 I381 V386 G387 L388 | I134-L384 HydrophobicContact CD1-CB 4.29Å; I134-L384 HydrophobicContact CD1-CD1 4.2Å; I134-L384 HydrophobicContact CG2-CD1 3.88Å; L342-L384 HydrophobicContact CD2-CD2 4.3Å; V344-L384 HydrophobicContact CG1-CD2 3.49Å; V344-L384 VanDerWaalsContact CG1-CD2 3.49Å; V369-L384 HydrophobicContact CG1-CD2 4.14Å; F380-L384 HydrophobicContact CD1-CB 4.17Å; F380-L384 HydrophobicContact CD1-CD2 4.42Å; F380-L384 HydrophobicContact CE1-CB 4.09Å; F380-L384 HydrophobicContact CE1-CD1 3.97Å; F380-L384 HydrophobicContact CE1-CD2 4.14Å; F380-L384 HydrophobicContact CE1-CG 4.29Å; F380-L384 WeakPolarHBondContact O-CB 3.49Å; F380-L384 PolarHBondContact O-N 3.29Å; I381-L384 HydrophobicContact CG2-CD2 4.46Å; L384-V386 VanDerWaalsContact C-N 3.28Å; L384-V386 PolarHBondContact O-N 3Å; L384-G387 PolarHBondContact O-N 3.32Å; L384-L388 HydrophobicContact CD1-CD1 3.64Å; L384-L388 HydrophobicContact CD1-CG 3.9Å; L384-L388 HydrophobicContact CD2-CD1 4.35Å; L384-L388 HydrophobicContact CG-CD1 3.68Å; L384-L388 HydrophobicContact CG-CG 4.2Å; L384-L388 VanDerWaalsContact O-CB 3.25Å; L384-L388 WeakPolarHBondContact O-CB 3.49Å; L384-L388 VanDerWaalsContact O-CG 3.27Å; L384-L388 WeakPolarHBondContact O-CG 3.39Å; L384-L388 PolarHBondContact O-N 3.01Å |
| 385 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | -177.6 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | P146 V369 I381 A382 C389 T390 Q392 I393 L410 | P146-V385 HydrophobicContact CB-CG1 4.43Å; P146-V385 HydrophobicContact CB-CG2 3.7Å; P146-V385 HydrophobicContact CG-CG1 3.74Å; P146-V385 HydrophobicContact CG-CG2 3.96Å; V369-V385 HydrophobicContact CB-CB 3.83Å; V369-V385 HydrophobicContact CB-CG2 4.02Å; V369-V385 HydrophobicContact CG1-CB 4.24Å; V369-V385 HydrophobicContact CG2-CB 3.77Å; V369-V385 HydrophobicContact CG2-CG2 3.91Å; I381-V385 WeakPolarHBondContact O-CG1 3.19Å; I381-V385 PolarHBondContact O-N 3.39Å; A382-V385 VanDerWaalsContact O-CG1 3.29Å; A382-V385 WeakPolarHBondContact O-CG1 3.36Å; V385-C389 PolarHBondContact O-N 2.95Å; V385-C389 VanDerWaalsContact O-N 3.15Å; V385-T390 WeakPolarHBondContact CG2-OG1 3.45Å; V385-T390 PolarHBondContact O-N 3.01Å; V385-Q392 WeakPolarHBondContact CG2-O 3.4Å; V385-I393 HydrophobicContact CB-CB 4.4Å; V385-I393 HydrophobicContact CB-CD1 4.35Å; V385-I393 HydrophobicContact CG1-CB 4.28Å; V385-I393 HydrophobicContact CG1-CD1 3.88Å; V385-I393 HydrophobicContact CG2-CB 4.07Å; V385-L410 HydrophobicContact CG1-CD2 3.82Å |
| 386 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -71.1 | -46.6 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | Y131 L143 L145 A382 D383 L384 L388 C389 L410 I413 L417 | Y131-V386 HydrophobicContact CD2-CG1 4.14Å; Y131-V386 HydrophobicContact CG-CG1 4.35Å; L143-V386 HydrophobicContact CB-CG1 4.07Å; L143-V386 HydrophobicContact CD1-CG1 4.37Å; L145-V386 HydrophobicContact CD1-CG2 4.07Å; A382-V386 WeakPolarHBondContact O-CG2 3.28Å; D383-V386 PolarHBondContact O-N 3.02Å; L384-V386 VanDerWaalsContact C-N 3.28Å; L384-V386 PolarHBondContact O-N 3Å; V386-L388 VanDerWaalsContact C-N 3.31Å; V386-L388 PolarHBondContact O-N 3.1Å; V386-C389 PolarHBondContact O-N 3.12Å; V386-C389 VanDerWaalsContact O-N 3.11Å; V386-C389 PolarHBondContact O-SG 3.22Å; V386-C389 VanDerWaalsContact O-SG 3.38Å; V386-L410 HydrophobicContact CG2-CD2 3.61Å; V386-I413 HydrophobicContact CB-CG2 4.41Å; V386-I413 HydrophobicContact CG1-CG2 3.98Å; V386-I413 HydrophobicContact CG2-CD1 4.36Å; V386-I413 HydrophobicContact CG2-CG2 4.08Å; V386-L417 HydrophobicContact CG1-CD1 4.37Å |
| 387 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64.8 | -33.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y131 A135 N140 D383 L384 C389 | Y131-G387 VanDerWaalsContact O-CA 3.3Å; Y131-G387 WeakPolarHBondContact O-CA 3.34Å; A135-G387 VanDerWaalsContact CA-O 3.28Å; A135-G387 WeakPolarHBondContact CA-O 3.17Å; N140-G387 PolarHBondContact ND2-O 3.39Å; D383-G387 PolarHBondContact O-N 3.15Å; L384-G387 PolarHBondContact O-N 3.32Å; G387-C389 VanDerWaalsContact C-N 3.3Å |
| 388 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -7.6 | 175.2 | -69 | -177 | 0 | 0 | 0 | 113.7 | I134 A138 N140 L342 I354 C357 Q361 V369 L384 V386 T390 | I134-L388 HydrophobicContact CG2-CD2 4.47Å; I134-L388 HydrophobicContact CG2-CG 4.39Å; A138-L388 HydrophobicContact CB-CD2 3.78Å; N140-L388 VanDerWaalsContact ND2-C 3.3Å; N140-L388 WeakPolarHBondContact ND2-CA 3.49Å; N140-L388 PolarHBondContact ND2-O 3.39Å; L342-L388 HydrophobicContact CD2-CD1 3.47Å; L342-L388 VanDerWaalsContact CD2-CD1 3.47Å; I354-L388 HydrophobicContact CG1-CD2 4.08Å; I354-L388 HydrophobicContact CG2-CD2 4.35Å; C357-L388 HydrophobicContact CB-CD1 4Å; C357-L388 HydrophobicContact CB-CD2 4.36Å; Q361-L388 PolarHBondContact NE2-O 3.19Å; V369-L388 HydrophobicContact CG2-CD1 4.43Å; L384-L388 HydrophobicContact CD1-CD1 3.64Å; L384-L388 HydrophobicContact CD1-CG 3.9Å; L384-L388 HydrophobicContact CD2-CD1 4.35Å; L384-L388 HydrophobicContact CG-CD1 3.68Å; L384-L388 HydrophobicContact CG-CG 4.2Å; L384-L388 VanDerWaalsContact O-CB 3.25Å; L384-L388 WeakPolarHBondContact O-CB 3.49Å; L384-L388 VanDerWaalsContact O-CG 3.27Å; L384-L388 WeakPolarHBondContact O-CG 3.39Å; L384-L388 PolarHBondContact O-N 3.01Å; V386-L388 VanDerWaalsContact C-N 3.31Å; V386-L388 PolarHBondContact O-N 3.1Å; L388-T390 HydrophobicContact CB-CG2 3.43Å; L388-T390 VanDerWaalsContact CB-CG2 3.43Å; L388-T390 HydrophobicContact CD1-CG2 4.36Å; L388-T390 PolarHBondContact O-N 3.06Å |
| 389 | C | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 5.9 Ų | 5.9 | 10% | 0.101 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.4 | -179.5 | -54.9 | 0 | 0 | 0 | 0 | 113.2 | D142 I144 V385 V386 G387 P431 | D142-C389 PolarHBondContact O-SG 3.27Å; I144-C389 HydrophobicContact CB-CB 4.44Å; I144-C389 HydrophobicContact CG1-CB 4.22Å; V385-C389 PolarHBondContact O-N 2.95Å; V385-C389 VanDerWaalsContact O-N 3.15Å; V386-C389 PolarHBondContact O-N 3.12Å; V386-C389 VanDerWaalsContact O-N 3.11Å; V386-C389 PolarHBondContact O-SG 3.22Å; V386-C389 VanDerWaalsContact O-SG 3.38Å; G387-C389 VanDerWaalsContact C-N 3.3Å; C389-P431 WeakPolarHBondContact O-CG 3.28Å |
| 390 | T | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 8 Ų | 8 | 2% | 0.018 | 4% | 0.041 | C | C | . | . | trans | -80.8 | -19.5 | -170.9 | 84.3 | 0 | 0 | 0 | 0 | 113.6 | V367 V369 V385 L388 Q392 | V367-T390 HydrophobicContact CB-CG2 3.98Å; V367-T390 HydrophobicContact CG1-CG2 4.03Å; V367-T390 WeakPolarHBondContact O-CB 3.18Å; V367-T390 PolarHBondContact O-OG1 2.84Å; V369-T390 HydrophobicContact CG2-CG2 4.01Å; V385-T390 WeakPolarHBondContact CG2-OG1 3.45Å; V385-T390 PolarHBondContact O-N 3.01Å; L388-T390 HydrophobicContact CB-CG2 3.43Å; L388-T390 VanDerWaalsContact CB-CG2 3.43Å; L388-T390 HydrophobicContact CD1-CG2 4.36Å; L388-T390 PolarHBondContact O-N 3.06Å; T390-Q392 VanDerWaalsContact C-N 3.29Å; T390-Q392 PolarHBondContact O-N 3.02Å; T390-Q392 PolarHBondContact OG1-O 3.26Å | ||
| 391 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 80.8 | -0.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P146 V147 A424 F428 | P146-G391 CarbonylContact C-O 3.53Å; P146-G391 VanDerWaalsContact CA-C 3.44Å; P146-G391 WeakPolarHBondContact CA-O 3.22Å; V147-G391 PolarHBondContact N-O 3.19Å; G391-A424 WeakPolarHBondContact O-CB 3.3Å; G391-F428 WeakPolarHBondContact O-CB 3.38Å |
| 392 | Q | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 140.3 | -179.5 | 48 | -178.3 | -52.9 | 0 | 0 | 112.5 | V147 V367 M368 V369 V385 T390 F428 | V147-Q392 WeakPolarHBondContact O-CA 3.35Å; V367-Q392 WeakPolarHBondContact O-CG 3.39Å; M368-Q392 HydrophobicContact CB-CG 4.03Å; M368-Q392 HydrophobicContact CG-CG 4.39Å; V369-Q392 PolarHBondContact N-O 3.11Å; V385-Q392 WeakPolarHBondContact CG2-O 3.4Å; T390-Q392 VanDerWaalsContact C-N 3.29Å; T390-Q392 PolarHBondContact O-N 3.02Å; T390-Q392 PolarHBondContact OG1-O 3.26Å; Q392-F428 HydrophobicContact CB-CB 4.34Å; Q392-F428 HydrophobicContact CB-CD2 4.08Å; Q392-F428 HydrophobicContact CG-CD2 4.28Å; Q392-F428 PolarHBondContact NE2-O 3.4Å |
| 393 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 135.8 | 178 | -175.5 | 167.1 | 0 | 0 | 0 | 110.4 | P146 V147 A149 V369 I381 V385 T395 L410 | P146-I393 HydrophobicContact CB-CB 4.3Å; P146-I393 HydrophobicContact CB-CG2 3.9Å; P146-I393 HydrophobicContact CG-CB 4.23Å; P146-I393 HydrophobicContact CG-CG2 3.55Å; V147-I393 PolarHBondContact O-N 3.15Å; V147-I393 VanDerWaalsContact O-N 3.11Å; A149-I393 PolarHBondContact N-O 2.81Å; V369-I393 HydrophobicContact CB-CG1 4.5Å; V369-I393 CarbonylContact O-C 3.6Å; V369-I393 VanDerWaalsContact O-CA 3.31Å; V369-I393 WeakPolarHBondContact O-CA 3.42Å; V369-I393 WeakPolarHBondContact O-CG1 3.47Å; I381-I393 HydrophobicContact CD1-CD1 4.47Å; I381-I393 HydrophobicContact CG1-CD1 4.4Å; V385-I393 HydrophobicContact CB-CB 4.4Å; V385-I393 HydrophobicContact CB-CD1 4.35Å; V385-I393 HydrophobicContact CG1-CB 4.28Å; V385-I393 HydrophobicContact CG1-CD1 3.88Å; V385-I393 HydrophobicContact CG2-CB 4.07Å; I393-T395 HydrophobicContact CD1-CG2 3.99Å; I393-T395 HydrophobicContact CG1-CG2 4.16Å; I393-L410 HydrophobicContact CD1-CD1 4.26Å; I393-L410 HydrophobicContact CG2-CD1 3.94Å |
| 394 | K | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.009 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 116.5 | 160.8 | 78.3 | 176 | -162.9 | 174 | 0 | 109.8 | A149 E167 M169 D245 E293 L341 M368 V369 S370 H371 | A149-K394 HydrophobicContact CB-CB 4.05Å; E167-K394 IonicContact OE1-NZ 2.85Å; E167-K394 IonicContact OE2-NZ 3.82Å; E167-K394 PolarHBondContact OE2-NZ 3.25Å; M169-K394 HydrophobicContact CE-CD 4.4Å; M169-K394 HydrophobicContact SD-CB 4.06Å; M169-K394 HydrophobicContact SD-CD 4.05Å; D245-K394 IonicContact OD2-NZ 3.39Å; E293-K394 IonicContact OE1-NZ 3.19Å; E293-K394 PolarHBondContact OE1-NZ 2.71Å; E293-K394 WeakPolarHBondContact OE2-CE 3.04Å; E293-K394 IonicContact OE2-NZ 2.71Å; E293-K394 PolarHBondContact OE2-NZ 3.02Å; L341-K394 HydrophobicContact CD1-CD 3.88Å; L341-K394 HydrophobicContact CD1-CG 4.17Å; M368-K394 HydrophobicContact CG-CB 4.43Å; M368-K394 HydrophobicContact CG-CG 4.47Å; M368-K394 HydrophobicContact SD-CB 3.75Å; M368-K394 HydrophobicContact SD-CD 3.97Å; M368-K394 HydrophobicContact SD-CG 3.92Å; V369-K394 PolarHBondContact O-N 3.4Å; S370-K394 WeakPolarHBondContact CA-O 3.4Å; S370-K394 WeakPolarHBondContact OG-CE 3.37Å; S370-K394 WeakPolarHBondContact OG-CG 3.42Å; H371-K394 PolarHBondContact N-O 2.92Å |
| 395 | T | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -137.9 | 29.4 | 178.8 | -165.9 | 0 | 0 | 0 | 0 | 112.9 | H371 I393 R403 K406 Y407 | H371-T395 VanDerWaalsContact CE1-C 3.41Å; H371-T395 WeakPolarHBondContact ND1-CA 3.37Å; H371-T395 PolarHBondContact ND1-O 2.93Å; I393-T395 HydrophobicContact CD1-CG2 3.99Å; I393-T395 HydrophobicContact CG1-CG2 4.16Å; T395-R403 WeakPolarHBondContact O-CA 3.34Å; T395-R403 WeakPolarHBondContact O-CB 3.38Å; T395-R403 VanDerWaalsContact O-CD 3.29Å; T395-R403 WeakPolarHBondContact O-CD 3.43Å; T395-K406 HydrophobicContact CG2-CB 3.75Å; T395-K406 HydrophobicContact CG2-CG 4.49Å; T395-Y407 HydrophobicContact CG2-CD1 3.66Å; T395-Y407 HydrophobicContact CG2-CD2 4.14Å; T395-Y407 HydrophobicContact CG2-CE1 3.2Å; T395-Y407 HydrophobicContact CG2-CE2 3.73Å; T395-Y407 HydrophobicContact CG2-CG 4.11Å; T395-Y407 PolarHBondContact N-OH 2.77Å | ||
| 396 | G | 98.5 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | 98.1 | -173.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | F150 H371 Y407 | F150-G396 WeakPolarHBondContact CA-O 3.42Å; H371-G396 WeakPolarHBondContact CE1-CA 3.4Å; H371-G396 PolarHBondContact CE1-N 2.92Å; H371-G396 PolarHBondContact ND1-N 3.03Å; G396-Y407 PolarHBondContact N-OH 2.87Å; G396-Y407 WeakPolarHBondContact O-CE2 3.2Å; G396-Y407 PolarHBondContact O-OH 2.81Å | ||
| 397 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -64.5 | 164.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N151 Y189 E210 G211 C399 R403 | N151-A397 VanDerWaalsContact O-CB 3.29Å; N151-A397 WeakPolarHBondContact O-CB 3.45Å; Y189-A397 HydrophobicContact CD2-CB 4.45Å; Y189-A397 HydrophobicContact CE2-CB 4.03Å; E210-A397 WeakPolarHBondContact O-CB 3.35Å; E210-A397 PolarHBondContact O-N 2.67Å; G211-A397 WeakPolarHBondContact O-CB 3.47Å; A397-C399 HydrophobicContact CB-CB 3.96Å; A397-C399 PolarHBondContact O-N 3.38Å; A397-R403 WeakPolarHBondContact O-CB 3.34Å | ||
| 398 | P | 98.7 | Very high | 98.8 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 10% | 0.104 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -72 | 46.5 | 161 | 34.1 | -36.9 | 0 | 0 | 0 | 111.2 | F150 A186 Y189 L404 | F150-P398 HydrophobicContact CD1-CB 4.43Å; F150-P398 HydrophobicContact CD1-CG 4.46Å; A186-P398 HydrophobicContact CB-CB 4.3Å; Y189-P398 HydrophobicContact CD1-CG 4.08Å; Y189-P398 HydrophobicContact CD2-CG 4.29Å; Y189-P398 HydrophobicContact CG-CG 3.73Å; P398-L404 HydrophobicContact CB-CD2 4.41Å |
| 399 | C | 98.6 | Very high | 98.8 | Very high | 31 Ų | 31 | 20.1 Ų | 20.1 | 21% | 0.209 | 11% | 0.113 | C | C | . | . | trans | -149.7 | 148.9 | -177.5 | -173.6 | 0 | 0 | 0 | 0 | 109 | Y189 A397 R403 | Y189-C399 HydrophobicContact CE1-CB 3.96Å; Y189-C399 HydrophobicContact CE2-CB 4.47Å; Y189-C399 VanDerWaalsContact OH-CB 3.32Å; Y189-C399 WeakPolarHBondContact OH-CB 3.42Å; Y189-C399 PolarHBondContact OH-SG 2.83Å; A397-C399 HydrophobicContact CB-CB 3.96Å; A397-C399 PolarHBondContact O-N 3.38Å; C399-R403 VanDerWaalsContact O-CG 3.27Å; C399-R403 WeakPolarHBondContact O-CG 3.45Å | ||
| 400 | R | 98.3 | Very high | 98.8 | Very high | 79 Ų | 79 | 19.4 Ų | 19.4 | 30% | 0.298 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 66.6 | 132 | -173.1 | -45.6 | 174.4 | 54.6 | 106.9 | 6.4 | 113.1 | S14 D209 E402 R403 L404 | S14-R400 PolarHBondContact O-NH2 3.41Å; D209-R400 PolarHBondContact O-NE 3.05Å; R400-E402 VanDerWaalsContact C-N 3.35Å; R400-E402 VanDerWaalsContact CB-OE1 3.27Å; R400-E402 WeakPolarHBondContact CB-OE1 3.47Å; R400-E402 WeakPolarHBondContact CB-OE2 3.46Å; R400-E402 IonicContact CZ-OE1 2.62Å; R400-E402 IonicContact NE-OE1 2.94Å; R400-E402 PolarHBondContact NE-OE1 2.8Å; R400-E402 IonicContact NE-OE2 3.8Å; R400-E402 IonicContact NH2-OE1 3.76Å; R400-E402 PolarHBondContact O-N 3.32Å; R400-R403 HydrophobicContact CB-CG 4.3Å; R400-R403 WeakPolarHBondContact O-CB 3.43Å; R400-R403 PolarHBondContact O-N 3.47Å; R400-R403 VanDerWaalsContact O-N 3.09Å; R400-L404 PolarHBondContact O-N 3.07Å; R400-L404 VanDerWaalsContact O-N 3.09Å |
| 401 | S | 98.8 | Very high | 98.8 | Very high | 91 Ų | 91 | 21.8 Ų | 21.8 | 64% | 0.636 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -74.1 | -23 | -164.1 | -65.4 | 0 | 0 | 0 | 0 | 114.2 | R403 L404 A405 | S401-R403 PolarHBondContact O-N 3.21Å; S401-L404 PolarHBondContact O-N 2.6Å; S401-A405 WeakPolarHBondContact O-CB 3.19Å; S401-A405 PolarHBondContact O-N 2.87Å |
| 402 | E | 98.7 | Very high | 98.8 | Very high | 21 Ų | 21 | 28 Ų | 28 | 10% | 0.098 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -23 | 171.5 | 76.9 | -79.4 | -172.3 | 0 | 0 | 112.1 | S14 E375 T376 R400 K406 | S14-E402 VanDerWaalsContact CB-CD 3.49Å; S14-E402 VanDerWaalsContact CB-CG 3.48Å; E375-E402 HydrophobicContact CB-CB 3.89Å; E375-E402 HydrophobicContact CB-CG 3.63Å; T376-E402 WeakPolarHBondContact O-CB 3.3Å; R400-E402 VanDerWaalsContact C-N 3.35Å; R400-E402 VanDerWaalsContact CB-OE1 3.27Å; R400-E402 WeakPolarHBondContact CB-OE1 3.47Å; R400-E402 WeakPolarHBondContact CB-OE2 3.46Å; R400-E402 IonicContact CZ-OE1 2.62Å; R400-E402 IonicContact NE-OE1 2.94Å; R400-E402 PolarHBondContact NE-OE1 2.8Å; R400-E402 IonicContact NE-OE2 3.8Å; R400-E402 IonicContact NH2-OE1 3.76Å; R400-E402 PolarHBondContact O-N 3.32Å; E402-K406 VanDerWaalsContact O-CD 3.23Å; E402-K406 WeakPolarHBondContact O-CD 3.28Å; E402-K406 WeakPolarHBondContact O-CE 3.31Å; E402-K406 PolarHBondContact O-NZ 2.97Å |
| 403 | R | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -87.1 | -55.3 | 173.8 | -43 | -52.7 | 165.3 | -178.9 | -0.5 | 109.8 | S14 D209 H371 R372 S373 T395 A397 C399 R400 S401 A405 K406 Y407 | S14-R403 PolarHBondContact OG-NH2 3.43Å; D209-R403 PolarHBondContact O-NH2 3.31Å; H371-R403 PolarHBondContact ND1-NH1 2.89Å; R372-R403 PolarHBondContact O-NH1 3.06Å; S373-R403 PolarHBondContact O-NH2 2.97Å; T395-R403 WeakPolarHBondContact O-CA 3.34Å; T395-R403 WeakPolarHBondContact O-CB 3.38Å; T395-R403 VanDerWaalsContact O-CD 3.29Å; T395-R403 WeakPolarHBondContact O-CD 3.43Å; A397-R403 WeakPolarHBondContact O-CB 3.34Å; C399-R403 VanDerWaalsContact O-CG 3.27Å; C399-R403 WeakPolarHBondContact O-CG 3.45Å; R400-R403 HydrophobicContact CB-CG 4.3Å; R400-R403 WeakPolarHBondContact O-CB 3.43Å; R400-R403 PolarHBondContact O-N 3.47Å; R400-R403 VanDerWaalsContact O-N 3.09Å; S401-R403 PolarHBondContact O-N 3.21Å; R403-A405 PolarHBondContact O-N 3.19Å; R403-A405 VanDerWaalsContact O-N 3.12Å; R403-K406 PolarHBondContact O-N 2.69Å; R403-Y407 HydrophobicContact CB-CE2 4.44Å; R403-Y407 PolarHBondContact O-N 3.46Å |
| 404 | L | 98.9 | Very high | 98.8 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -25.9 | -179.4 | -66.4 | 171.9 | 0 | 0 | 0 | 112.7 | P398 R400 S401 K406 Y407 N408 | P398-L404 HydrophobicContact CB-CD2 4.41Å; R400-L404 PolarHBondContact O-N 3.07Å; R400-L404 VanDerWaalsContact O-N 3.09Å; S401-L404 PolarHBondContact O-N 2.6Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-K406 PolarHBondContact O-N 3.04Å; L404-Y407 HydrophobicContact CD2-CD2 4.5Å; L404-Y407 PolarHBondContact O-N 3.22Å; L404-N408 WeakPolarHBondContact O-CB 3.37Å; L404-N408 PolarHBondContact O-N 3.29Å; L404-N408 PolarHBondContact O-ND2 3.41Å |
| 405 | A | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | T379 S401 R403 Q409 | T379-A405 HydrophobicContact CG2-CB 3.8Å; T379-A405 WeakPolarHBondContact CG2-O 3.49Å; S401-A405 WeakPolarHBondContact O-CB 3.19Å; S401-A405 PolarHBondContact O-N 2.87Å; R403-A405 PolarHBondContact O-N 3.19Å; R403-A405 VanDerWaalsContact O-N 3.12Å; A405-Q409 WeakPolarHBondContact O-CB 3.23Å; A405-Q409 PolarHBondContact O-N 2.96Å |
| 406 | K | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.1 | -46.4 | 178.8 | -72.9 | 65.9 | 158.7 | 172.4 | 0 | 111 | E375 T376 D378 I381 A382 T395 E402 R403 L404 N408 Q409 L410 | E375-K406 VanDerWaalsContact CD-CE 3.42Å; E375-K406 WeakPolarHBondContact OE1-CE 3.28Å; E375-K406 IonicContact OE1-NZ 3.97Å; E375-K406 PolarHBondContact OE1-NZ 2.82Å; E375-K406 WeakPolarHBondContact OE2-CE 3.48Å; E375-K406 IonicContact OE2-NZ 3.79Å; E375-K406 PolarHBondContact OE2-NZ 3.3Å; T376-K406 PolarHBondContact O-NZ 3.23Å; D378-K406 WeakPolarHBondContact O-CD 3.34Å; D378-K406 WeakPolarHBondContact O-CE 3.46Å; D378-K406 PolarHBondContact O-NZ 3.23Å; I381-K406 HydrophobicContact CD1-CG 4.02Å; I381-K406 HydrophobicContact CG1-CG 3.59Å; A382-K406 HydrophobicContact CB-CB 4.21Å; A382-K406 WeakPolarHBondContact CB-O 3.1Å; T395-K406 HydrophobicContact CG2-CB 3.75Å; T395-K406 HydrophobicContact CG2-CG 4.49Å; E402-K406 VanDerWaalsContact O-CD 3.23Å; E402-K406 WeakPolarHBondContact O-CD 3.28Å; E402-K406 WeakPolarHBondContact O-CE 3.31Å; E402-K406 PolarHBondContact O-NZ 2.97Å; R403-K406 PolarHBondContact O-N 2.69Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-K406 PolarHBondContact O-N 3.04Å; K406-N408 VanDerWaalsContact C-N 3.34Å; K406-N408 PolarHBondContact O-N 2.91Å; K406-Q409 WeakPolarHBondContact O-CA 3.47Å; K406-Q409 WeakPolarHBondContact O-CB 3.48Å; K406-Q409 PolarHBondContact O-N 3.06Å; K406-Q409 VanDerWaalsContact O-N 3.1Å; K406-L410 WeakPolarHBondContact O-CG 3.45Å; K406-L410 PolarHBondContact O-N 3.01Å |
| 407 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 177 | -68.7 | -47.3 | 0 | 0 | 0 | 112.7 | P148 F150 F178 M182 T395 G396 R403 L404 Q409 L410 M411 | P148-Y407 HydrophobicContact CB-CD1 4.27Å; P148-Y407 HydrophobicContact CB-CE1 3.64Å; F150-Y407 HydrophobicContact CD1-CE1 4.06Å; F150-Y407 AromaticContact CD1-CE2 3.73Å; F150-Y407 HydrophobicContact CD1-CE2 3.73Å; F150-Y407 AromaticContact CD1-CZ 3.47Å; F150-Y407 VanDerWaalsContact CD1-CZ 3.47Å; F150-Y407 WeakPolarHBondContact CD1-OH 3.34Å; F150-Y407 AromaticContact CE1-CD1 3.99Å; F150-Y407 HydrophobicContact CE1-CD1 3.99Å; F150-Y407 HydrophobicContact CE1-CD2 4.09Å; F150-Y407 AromaticContact CE1-CE1 3.59Å; F150-Y407 HydrophobicContact CE1-CE1 3.59Å; F150-Y407 AromaticContact CE1-CE2 3.71Å; F150-Y407 HydrophobicContact CE1-CE2 3.71Å; F150-Y407 HydrophobicContact CE1-CG 4.23Å; F150-Y407 AromaticContact CE1-CZ 3.45Å; F150-Y407 VanDerWaalsContact CE1-CZ 3.45Å; F150-Y407 HydrophobicContact CZ-CE1 4.42Å; F178-Y407 WeakPolarHBondContact CE1-O 3.43Å; F178-Y407 HydrophobicContact CZ-CD1 4.08Å; M182-Y407 HydrophobicContact CE-CD1 4.37Å; M182-Y407 HydrophobicContact CE-CD2 4.16Å; M182-Y407 HydrophobicContact CE-CG 3.8Å; M182-Y407 VanDerWaalsContact SD-CB 3.58Å; M182-Y407 HydrophobicContact SD-CD1 3.64Å; M182-Y407 HydrophobicContact SD-CD2 4.47Å; M182-Y407 HydrophobicContact SD-CE1 4.43Å; M182-Y407 HydrophobicContact SD-CG 3.65Å; T395-Y407 HydrophobicContact CG2-CD1 3.66Å; T395-Y407 HydrophobicContact CG2-CD2 4.14Å; T395-Y407 HydrophobicContact CG2-CE1 3.2Å; T395-Y407 HydrophobicContact CG2-CE2 3.73Å; T395-Y407 HydrophobicContact CG2-CG 4.11Å; T395-Y407 PolarHBondContact N-OH 2.77Å; G396-Y407 PolarHBondContact N-OH 2.87Å; G396-Y407 WeakPolarHBondContact O-CE2 3.2Å; G396-Y407 PolarHBondContact O-OH 2.81Å; R403-Y407 HydrophobicContact CB-CE2 4.44Å; R403-Y407 PolarHBondContact O-N 3.46Å; L404-Y407 HydrophobicContact CD2-CD2 4.5Å; L404-Y407 PolarHBondContact O-N 3.22Å; Y407-Q409 VanDerWaalsContact C-N 3.3Å; Y407-Q409 PolarHBondContact O-N 3.19Å; Y407-L410 HydrophobicContact CD1-CD1 4.46Å; Y407-L410 PolarHBondContact O-N 3.01Å; Y407-M411 PolarHBondContact O-N 3.05Å |
| 408 | N | 98.9 | Very high | 98.8 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 32% | 0.316 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -35.8 | 174 | -70.5 | -30.7 | 0 | 0 | 0 | 111.4 | L404 K406 M411 R412 | L404-N408 WeakPolarHBondContact O-CB 3.37Å; L404-N408 PolarHBondContact O-N 3.29Å; L404-N408 PolarHBondContact O-ND2 3.41Å; K406-N408 VanDerWaalsContact C-N 3.34Å; K406-N408 PolarHBondContact O-N 2.91Å; N408-M411 HydrophobicContact CB-CE 4.39Å; N408-M411 PolarHBondContact O-N 2.85Å; N408-M411 WeakPolarHBondContact OD1-CE 3.48Å; N408-R412 WeakPolarHBondContact O-CG 3.42Å; N408-R412 PolarHBondContact O-N 2.98Å; N408-R412 VanDerWaalsContact O-N 3.12Å |
| 409 | Q | 98.9 | Very high | 98.7 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 173.7 | -179.1 | 62.5 | 5.3 | 0 | 0 | 111.6 | T379 A382 D383 A405 K406 Y407 M411 R412 I413 | T379-Q409 HydrophobicContact CG2-CB 4.1Å; A382-Q409 HydrophobicContact CB-CB 3.75Å; A382-Q409 HydrophobicContact CB-CG 3.65Å; D383-Q409 WeakPolarHBondContact OD2-CG 3.39Å; D383-Q409 PolarHBondContact OD2-NE2 3.19Å; D383-Q409 VanDerWaalsContact OD2-NE2 3.1Å; A405-Q409 WeakPolarHBondContact O-CB 3.23Å; A405-Q409 PolarHBondContact O-N 2.96Å; K406-Q409 WeakPolarHBondContact O-CA 3.47Å; K406-Q409 WeakPolarHBondContact O-CB 3.48Å; K406-Q409 PolarHBondContact O-N 3.06Å; K406-Q409 VanDerWaalsContact O-N 3.1Å; Y407-Q409 VanDerWaalsContact C-N 3.3Å; Y407-Q409 PolarHBondContact O-N 3.19Å; Q409-M411 VanDerWaalsContact C-N 3.34Å; Q409-M411 PolarHBondContact O-N 3.05Å; Q409-R412 WeakPolarHBondContact O-CB 2.91Å; Q409-R412 PolarHBondContact O-N 2.66Å; Q409-I413 HydrophobicContact CG-CD1 3.98Å; Q409-I413 HydrophobicContact CG-CG1 4.45Å; Q409-I413 WeakPolarHBondContact O-CG1 3.14Å; Q409-I413 PolarHBondContact O-N 3.2Å |
| 410 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 175.1 | -72.3 | 167.6 | 0 | 0 | 0 | 112.8 | L145 P146 F178 A382 V385 V386 I393 K406 Y407 R412 I413 E414 | L145-L410 HydrophobicContact CD1-CD2 4.27Å; P146-L410 HydrophobicContact CG-CD1 4.05Å; P146-L410 HydrophobicContact CG-CD2 4.05Å; F178-L410 HydrophobicContact CD1-CB 3.77Å; F178-L410 HydrophobicContact CD2-CB 4.37Å; F178-L410 HydrophobicContact CE1-CB 3.22Å; F178-L410 HydrophobicContact CE1-CD1 4.24Å; F178-L410 HydrophobicContact CE1-CG 4.34Å; F178-L410 HydrophobicContact CE2-CB 3.9Å; F178-L410 HydrophobicContact CE2-CD1 3.59Å; F178-L410 HydrophobicContact CE2-CG 4.3Å; F178-L410 HydrophobicContact CG-CB 4.32Å; F178-L410 HydrophobicContact CZ-CB 3.3Å; F178-L410 HydrophobicContact CZ-CD1 3.39Å; F178-L410 HydrophobicContact CZ-CG 3.96Å; A382-L410 HydrophobicContact CB-CD2 4.12Å; A382-L410 HydrophobicContact CB-CG 3.83Å; A382-L410 WeakPolarHBondContact O-CD2 3.16Å; V385-L410 HydrophobicContact CG1-CD2 3.82Å; V386-L410 HydrophobicContact CG2-CD2 3.61Å; I393-L410 HydrophobicContact CD1-CD1 4.26Å; I393-L410 HydrophobicContact CG2-CD1 3.94Å; K406-L410 WeakPolarHBondContact O-CG 3.45Å; K406-L410 PolarHBondContact O-N 3.01Å; Y407-L410 HydrophobicContact CD1-CD1 4.46Å; Y407-L410 PolarHBondContact O-N 3.01Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 2.95Å; L410-I413 PolarHBondContact O-N 2.9Å; L410-E414 WeakPolarHBondContact O-CB 3.5Å; L410-E414 PolarHBondContact O-N 2.94Å |
| 411 | M | 98.9 | Very high | 98.6 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 172.1 | -70.4 | -170.2 | -69 | 0 | 0 | 112.5 | F178 R179 M182 Y407 N408 Q409 E415 | F178-M411 HydrophobicContact CD1-CG 3.82Å; F178-M411 HydrophobicContact CE1-CG 3.83Å; R179-M411 HydrophobicContact CG-SD 4.34Å; M182-M411 HydrophobicContact CB-SD 4.21Å; M182-M411 HydrophobicContact CG-CG 4.11Å; M182-M411 HydrophobicContact CG-SD 4.11Å; Y407-M411 PolarHBondContact O-N 3.05Å; N408-M411 HydrophobicContact CB-CE 4.39Å; N408-M411 PolarHBondContact O-N 2.85Å; N408-M411 WeakPolarHBondContact OD1-CE 3.48Å; Q409-M411 VanDerWaalsContact C-N 3.34Å; Q409-M411 PolarHBondContact O-N 3.05Å; M411-E415 PolarHBondContact O-N 3.48Å |
| 412 | R | 98.9 | Very high | 98.6 | Very high | 131 Ų | 131 | 54.6 Ų | 54.6 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.7 | -41.2 | 174.7 | -66.6 | 178.5 | -156.3 | 108.7 | 4.3 | 111.8 | N408 Q409 L410 E415 E416 | N408-R412 WeakPolarHBondContact O-CG 3.42Å; N408-R412 PolarHBondContact O-N 2.98Å; N408-R412 VanDerWaalsContact O-N 3.12Å; Q409-R412 WeakPolarHBondContact O-CB 2.91Å; Q409-R412 PolarHBondContact O-N 2.66Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 2.95Å; R412-E415 PolarHBondContact O-N 3.23Å; R412-E416 WeakPolarHBondContact O-CB 3.45Å; R412-E416 PolarHBondContact O-N 3.46Å |
| 413 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.7 | -65.3 | 166.4 | 0 | 0 | 0 | 110.4 | Y131 V386 Q409 L410 E415 E416 L417 | Y131-I413 HydrophobicContact CD1-CB 4.4Å; Y131-I413 HydrophobicContact CD1-CD1 4.05Å; Y131-I413 HydrophobicContact CD1-CG1 3.75Å; Y131-I413 HydrophobicContact CD1-CG2 3.83Å; Y131-I413 HydrophobicContact CD2-CG2 4.33Å; Y131-I413 HydrophobicContact CE1-CB 4.41Å; Y131-I413 HydrophobicContact CE1-CG1 4.03Å; Y131-I413 HydrophobicContact CE1-CG2 3.87Å; Y131-I413 HydrophobicContact CE2-CG2 4.36Å; Y131-I413 HydrophobicContact CG-CG2 4.07Å; V386-I413 HydrophobicContact CB-CG2 4.41Å; V386-I413 HydrophobicContact CG1-CG2 3.98Å; V386-I413 HydrophobicContact CG2-CD1 4.36Å; V386-I413 HydrophobicContact CG2-CG2 4.08Å; Q409-I413 HydrophobicContact CG-CD1 3.98Å; Q409-I413 HydrophobicContact CG-CG1 4.45Å; Q409-I413 WeakPolarHBondContact O-CG1 3.14Å; Q409-I413 PolarHBondContact O-N 3.2Å; L410-I413 PolarHBondContact O-N 2.9Å; I413-E415 VanDerWaalsContact C-N 3.34Å; I413-E415 PolarHBondContact O-N 2.88Å; I413-E416 PolarHBondContact O-N 2.81Å; I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 HydrophobicContact CG2-CG 4.38Å; I413-L417 WeakPolarHBondContact O-CB 3.31Å; I413-L417 WeakPolarHBondContact O-CG 3.42Å; I413-L417 PolarHBondContact O-N 3.48Å |
| 414 | E | 98.9 | Very high | 98.6 | Very high | 26 Ų | 26 | 55 Ų | 55 | 12% | 0.121 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 173 | 179.3 | 173.2 | -113.7 | 0 | 0 | 111.4 | L145 S177 F178 R179 L410 E416 L417 G418 A421 | L145-E414 HydrophobicContact CD1-CB 4.06Å; L145-E414 HydrophobicContact CD2-CB 4.46Å; L145-E414 HydrophobicContact CG-CB 4.03Å; L145-E414 HydrophobicContact CG-CG 4.44Å; S177-E414 WeakPolarHBondContact CB-OE1 3.48Å; S177-E414 PolarHBondContact OG-OE1 3.03Å; S177-E414 PolarHBondContact OG-OE2 2.7Å; F178-E414 WeakPolarHBondContact CA-OE1 3.17Å; F178-E414 VanDerWaalsContact CB-OE1 3.28Å; F178-E414 WeakPolarHBondContact CB-OE1 3.22Å; F178-E414 PolarHBondContact N-OE1 3.02Å; R179-E414 WeakPolarHBondContact CB-OE2 3.35Å; R179-E414 PolarHBondContact N-OE2 3.4Å; L410-E414 WeakPolarHBondContact O-CB 3.5Å; L410-E414 PolarHBondContact O-N 2.94Å; E414-E416 PolarHBondContact O-N 2.76Å; E414-L417 PolarHBondContact O-N 2.85Å; E414-G418 PolarHBondContact O-N 2.95Å; E414-G418 VanDerWaalsContact O-N 3.09Å; E414-A421 HydrophobicContact CG-CB 4.18Å |
| 415 | E | 98.8 | Very high | 98.6 | Very high | 155 Ų | 155 | 53.2 Ų | 53.2 | 72% | 0.724 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 177.5 | -172.8 | 177.2 | 97.1 | 0 | 0 | 112.5 | M411 R412 I413 G418 | M411-E415 PolarHBondContact O-N 3.48Å; R412-E415 PolarHBondContact O-N 3.23Å; I413-E415 VanDerWaalsContact C-N 3.34Å; I413-E415 PolarHBondContact O-N 2.88Å; E415-G418 PolarHBondContact O-N 2.79Å |
| 416 | E | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 58.4 Ų | 58.4 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.7 | -36.5 | 178.4 | -174.4 | 174.6 | -173 | 0 | 0 | 112.7 | P129 Y131 R412 I413 E414 | P129-E416 WeakPolarHBondContact CG-OE1 3.33Å; Y131-E416 WeakPolarHBondContact CE1-OE2 3.45Å; Y131-E416 VanDerWaalsContact OH-CD 3.26Å; Y131-E416 WeakPolarHBondContact OH-CG 3.41Å; Y131-E416 PolarHBondContact OH-OE2 3.11Å; R412-E416 WeakPolarHBondContact O-CB 3.45Å; R412-E416 PolarHBondContact O-N 3.46Å; I413-E416 PolarHBondContact O-N 2.81Å; E414-E416 PolarHBondContact O-N 2.76Å |
| 417 | L | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.9 | -27.9 | 175.7 | -74 | 171 | 0 | 0 | 0 | 112.7 | Y131 L143 L145 V386 I413 E414 D419 E420 A421 | Y131-L417 HydrophobicContact CE2-CD1 4.47Å; Y131-L417 HydrophobicContact CE2-CD2 3.87Å; Y131-L417 HydrophobicContact CE2-CG 4.21Å; L143-L417 HydrophobicContact CB-CD1 4.33Å; L143-L417 HydrophobicContact CD1-CD1 4.43Å; L143-L417 HydrophobicContact CD1-CD2 3.9Å; L145-L417 HydrophobicContact CD2-CD1 3.71Å; V386-L417 HydrophobicContact CG1-CD1 4.37Å; I413-L417 HydrophobicContact CG2-CD1 3.85Å; I413-L417 HydrophobicContact CG2-CG 4.38Å; I413-L417 WeakPolarHBondContact O-CB 3.31Å; I413-L417 WeakPolarHBondContact O-CG 3.42Å; I413-L417 PolarHBondContact O-N 3.48Å; E414-L417 PolarHBondContact O-N 2.85Å; L417-D419 PolarHBondContact O-N 2.96Å; L417-E420 HydrophobicContact CD2-CB 4.49Å; L417-E420 WeakPolarHBondContact O-CB 3.35Å; L417-E420 PolarHBondContact O-N 3.07Å; L417-A421 HydrophobicContact CB-CB 3.87Å |
| 418 | G | 98.3 | Very high | 98.6 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | 55.3 | -123.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E414 E415 E420 A421 | E414-G418 PolarHBondContact O-N 2.95Å; E414-G418 VanDerWaalsContact O-N 3.09Å; E415-G418 PolarHBondContact O-N 2.79Å; G418-E420 PolarHBondContact O-N 3.01Å; G418-A421 WeakPolarHBondContact O-CB 3.46Å; G418-A421 PolarHBondContact O-N 2.87Å |
| 419 | D | 97.4 | Very high | 98.6 | Very high | 177 Ų | 177 | 62.8 Ų | 62.8 | 95% | 0.947 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -67.5 | -16.3 | -179.2 | -61.9 | -29.6 | 0 | 0 | 0 | 113.6 | L417 A421 | L417-D419 PolarHBondContact O-N 2.96Å; D419-A421 VanDerWaalsContact C-N 3.3Å |
| 420 | E | 97.4 | Very high | 98.5 | Very high | 120 Ų | 120 | 64.8 Ų | 64.8 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -78.2 | -14.9 | 172.5 | -62.9 | 173.5 | -132.8 | 0 | 0 | 112.1 | R132 L417 G418 R422 | R132-E420 IonicContact CZ-OE2 3.65Å; R132-E420 IonicContact NH1-OE2 3.23Å; R132-E420 IonicContact NH2-OE1 3.55Å; R132-E420 IonicContact NH2-OE2 3.84Å; R132-E420 PolarHBondContact NH2-OE2 3.17Å; L417-E420 HydrophobicContact CD2-CB 4.49Å; L417-E420 WeakPolarHBondContact O-CB 3.35Å; L417-E420 PolarHBondContact O-N 3.07Å; G418-E420 PolarHBondContact O-N 3.01Å; E420-R422 PolarHBondContact O-N 2.94Å |
| 421 | A | 96.7 | Very high | 98.5 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 21% | 0.207 | 32% | 0.32 | C | S | . | . | trans | -68.5 | 121.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L145 E414 L417 G418 D419 | L145-A421 HydrophobicContact CD2-CB 4.15Å; E414-A421 HydrophobicContact CG-CB 4.18Å; L417-A421 HydrophobicContact CB-CB 3.87Å; G418-A421 WeakPolarHBondContact O-CB 3.46Å; G418-A421 PolarHBondContact O-N 2.87Å; D419-A421 VanDerWaalsContact C-N 3.3Å | ||
| 422 | R | 98.5 | Very high | 98.4 | Very high | 109 Ų | 109 | 68 Ų | 68 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.3 | 173.5 | -57.4 | -62.3 | -66.7 | -72.1 | -2.3 | 109.4 | I144 L145 E420 L434 | I144-R422 HydrophobicContact CD1-CB 3.89Å; L145-R422 PolarHBondContact N-O 2.8Å; E420-R422 PolarHBondContact O-N 2.94Å; R422-L434 PolarHBondContact NH1-OXT 3.45Å; R422-L434 PolarHBondContact NH2-OXT 2.72Å |
| 423 | F | 98.9 | Very high | 98.3 | Very high | 28 Ų | 28 | 66 Ų | 66 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.4 | 174.6 | 178.6 | -117.4 | 0 | 0 | 0 | 110.5 | L145 P146 V147 A175 F178 A181 G425 L434 | L145-F423 HydrophobicContact CB-CD2 4.38Å; P146-F423 VanDerWaalsContact O-CE2 3.27Å; P146-F423 WeakPolarHBondContact O-CE2 3.49Å; V147-F423 HydrophobicContact CB-CZ 4.41Å; V147-F423 HydrophobicContact CG2-CE1 4.35Å; V147-F423 HydrophobicContact CG2-CE2 4.1Å; V147-F423 HydrophobicContact CG2-CZ 3.73Å; A175-F423 HydrophobicContact CB-CE1 3.92Å; A175-F423 HydrophobicContact CB-CZ 4.24Å; A175-F423 WeakPolarHBondContact O-CD1 3.29Å; A175-F423 WeakPolarHBondContact O-CE1 3.28Å; F178-F423 HydrophobicContact CB-CD2 4.21Å; F178-F423 HydrophobicContact CD2-CE2 4.45Å; A181-F423 HydrophobicContact CB-CE2 4.07Å; A181-F423 HydrophobicContact CB-CZ 3.76Å; F423-G425 VanDerWaalsContact C-N 3.32Å; F423-G425 PolarHBondContact O-N 3.41Å; F423-L434 WeakPolarHBondContact O-CD1 3.31Å |
| 424 | A | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | trans | -62.5 | -37.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I144 L145 V147 G391 H426 N427 F428 P431 | I144-A424 HydrophobicContact CG2-CB 3.77Å; L145-A424 WeakPolarHBondContact O-CB 3.38Å; L145-A424 PolarHBondContact O-N 3.5Å; V147-A424 HydrophobicContact CG2-CB 4.33Å; G391-A424 WeakPolarHBondContact O-CB 3.3Å; A424-H426 PolarHBondContact O-N 3.07Å; A424-N427 WeakPolarHBondContact O-CA 3.29Å; A424-N427 WeakPolarHBondContact O-CB 3.46Å; A424-N427 PolarHBondContact O-N 3.29Å; A424-F428 HydrophobicContact CB-CB 4.48Å; A424-P431 HydrophobicContact CB-CB 4.2Å | ||
| 425 | G | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 9% | 0.093 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | 49.8 | -131.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | V147 V173 F423 N427 F428 | V147-G425 VanDerWaalsContact CG2-O 3.26Å; V147-G425 WeakPolarHBondContact CG2-O 3.45Å; V173-G425 CarbonylContact O-C 3.58Å; V173-G425 VanDerWaalsContact O-C 3.24Å; V173-G425 WeakPolarHBondContact O-CA 3.46Å; F423-G425 VanDerWaalsContact C-N 3.32Å; F423-G425 PolarHBondContact O-N 3.41Å; G425-N427 PolarHBondContact O-N 2.78Å; G425-N427 VanDerWaalsContact O-N 3.1Å; G425-F428 PolarHBondContact O-N 3.18Å; G425-F428 VanDerWaalsContact O-N 3.17Å |
| 426 | H | 98.7 | Very high | 98.1 | Very high | 131 Ų | 131 | 67.4 Ų | 67.4 | 61% | 0.606 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -61.7 | -17 | 177.3 | -67 | -74.1 | 0 | 0 | 0 | 114.6 | V173 A424 F428 | V173-H426 PolarHBondContact O-N 2.91Å; A424-H426 PolarHBondContact O-N 3.07Å; H426-F428 VanDerWaalsContact C-N 3.32Å; H426-F428 PolarHBondContact O-N 2.63Å |
| 427 | N | 98.8 | Very high | 98 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -92 | 19.3 | 177.7 | -58.1 | -61 | 0 | 0 | 0 | 112.9 | A424 G425 R429 N430 P431 V433 L434 | A424-N427 WeakPolarHBondContact O-CA 3.29Å; A424-N427 WeakPolarHBondContact O-CB 3.46Å; A424-N427 PolarHBondContact O-N 3.29Å; G425-N427 PolarHBondContact O-N 2.78Å; G425-N427 VanDerWaalsContact O-N 3.1Å; N427-R429 PolarHBondContact O-N 3.34Å; N427-N430 CarbonylContact O-C 3.5Å; N427-N430 PolarHBondContact O-N 2.79Å; N427-P431 WeakPolarHBondContact O-CA 3.29Å; N427-P431 WeakPolarHBondContact O-CD 3.33Å; N427-V433 HydrophobicContact CB-CG2 3.95Å; N427-L434 HydrophobicContact CB-CG 4.47Å; N427-L434 WeakPolarHBondContact ND2-CD2 3.3Å |
| 428 | F | 98.8 | Very high | 98 | Very high | 11 Ų | 11 | 68.1 Ų | 68.1 | 5% | 0.048 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -26.9 | -178.5 | 77 | -84.3 | 0 | 0 | 0 | 114.7 | V147 L171 V173 V290 G391 Q392 A424 G425 H426 | V147-F428 HydrophobicContact CB-CB 3.99Å; V147-F428 HydrophobicContact CG2-CB 3.68Å; L171-F428 HydrophobicContact CD2-CE2 4.38Å; V173-F428 HydrophobicContact CG1-CD1 3.95Å; V173-F428 HydrophobicContact CG1-CE1 4.22Å; V290-F428 HydrophobicContact CG2-CZ 4.12Å; G391-F428 WeakPolarHBondContact O-CB 3.38Å; Q392-F428 HydrophobicContact CB-CB 4.34Å; Q392-F428 HydrophobicContact CB-CD2 4.08Å; Q392-F428 HydrophobicContact CG-CD2 4.28Å; Q392-F428 PolarHBondContact NE2-O 3.4Å; A424-F428 HydrophobicContact CB-CB 4.48Å; G425-F428 PolarHBondContact O-N 3.18Å; G425-F428 VanDerWaalsContact O-N 3.17Å; H426-F428 VanDerWaalsContact C-N 3.32Å; H426-F428 PolarHBondContact O-N 2.63Å |
| 429 | R | 98.8 | Very high | 98 | Very high | 84 Ų | 84 | 69.8 Ų | 69.8 | 32% | 0.317 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -26.6 | 177.4 | -58.6 | 177.4 | 65 | 176.3 | 3.3 | 113.1 | G312 I313 N338 G366 N427 | G312-R429 PolarHBondContact O-NH1 3.39Å; G312-R429 VanDerWaalsContact O-NH1 3.12Å; I313-R429 PolarHBondContact O-NH2 3.33Å; I313-R429 VanDerWaalsContact O-NH2 3.16Å; N338-R429 PolarHBondContact ND2-NH2 3.26Å; G366-R429 WeakPolarHBondContact CA-O 3.21Å; N427-R429 PolarHBondContact O-N 3.34Å |
| 430 | N | 98.6 | Very high | 98 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | trans | -153.1 | 60.3 | -169.1 | 64.4 | -43.8 | 0 | 0 | 0 | 111.5 | N427 S432 V433 | N427-N430 CarbonylContact O-C 3.5Å; N427-N430 PolarHBondContact O-N 2.79Å; N430-S432 PolarHBondContact O-N 3.02Å; N430-V433 WeakPolarHBondContact O-CG2 3.33Å | ||
| 431 | P | 98.1 | Very high | 98.1 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -69.8 | -8.9 | -169.8 | 31.3 | -40.6 | 0 | 0 | 0 | 114.8 | I144 C389 A424 N427 V433 L434 | I144-P431 HydrophobicContact CB-CB 4.33Å; I144-P431 HydrophobicContact CD1-CB 4.49Å; I144-P431 HydrophobicContact CG1-CB 4.04Å; I144-P431 HydrophobicContact CG2-CB 3.74Å; I144-P431 HydrophobicContact CG2-CG 4.41Å; C389-P431 WeakPolarHBondContact O-CG 3.28Å; A424-P431 HydrophobicContact CB-CB 4.2Å; N427-P431 WeakPolarHBondContact O-CA 3.29Å; N427-P431 WeakPolarHBondContact O-CD 3.33Å; P431-V433 PolarHBondContact O-N 2.64Å; P431-L434 WeakPolarHBondContact O-CB 3.35Å; P431-L434 PolarHBondContact O-N 3Å; P431-L434 VanDerWaalsContact O-N 3.13Å |
| 432 | S | 96.7 | Very high | 98.2 | Very high | 114 Ų | 114 | 61.1 Ų | 61.1 | 80% | 0.797 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -63.3 | -7.9 | 177.4 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | N430 L434 | N430-S432 PolarHBondContact O-N 3.02Å; S432-L434 VanDerWaalsContact C-N 3.3Å |
| 433 | V | 97.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 57.1 Ų | 57.1 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -80.7 | -8.4 | 174.6 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | N427 N430 P431 | N427-V433 HydrophobicContact CB-CG2 3.95Å; N430-V433 WeakPolarHBondContact O-CG2 3.33Å; P431-V433 PolarHBondContact O-N 2.64Å |
| 434 | L | 95.4 | Very high | 98.1 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 40% | 0.398 | 33% | 0.325 | S | S | . | . | trans | -84.6 | 0 | -173.3 | -70.3 | 175.5 | 0 | 0 | 0 | 113.5 | I144 R422 F423 N427 P431 S432 | I144-L434 HydrophobicContact CD1-CB 4.24Å; I144-L434 HydrophobicContact CD1-CD1 4.26Å; R422-L434 PolarHBondContact NH1-OXT 3.45Å; R422-L434 PolarHBondContact NH2-OXT 2.72Å; F423-L434 WeakPolarHBondContact O-CD1 3.31Å; N427-L434 HydrophobicContact CB-CG 4.47Å; N427-L434 WeakPolarHBondContact ND2-CD2 3.3Å; P431-L434 WeakPolarHBondContact O-CB 3.35Å; P431-L434 PolarHBondContact O-N 3Å; P431-L434 VanDerWaalsContact O-N 3.13Å; S432-L434 VanDerWaalsContact C-N 3.3Å |
Retrieved 434 of 434 residues in 104.1 ms
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