| 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 | 78.8 | Confident | 95.7 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | 0 | 145.3 | 0 | -179.4 | 178.1 | -68 | 0 | 0 | 112.1 | S27 K28 N83 V84 E125 | M1-S27 WeakPolarHBondContact CE-OG 3.37Å; M1-S27 PolarHBondContact SD-OG 3.25Å; M1-K28 HydrophobicContact CE-CD 4.41Å; M1-K28 HydrophobicContact CE-CG 4Å; M1-K28 HydrophobicContact SD-CG 3.88Å; M1-N83 PolarHBondContact N-ND2 3.44Å; M1-N83 PolarHBondContact N-OD1 3.43Å; M1-N83 WeakPolarHBondContact O-CA 3.4Å; M1-N83 PolarHBondContact O-OD1 3.47Å; M1-V84 PolarHBondContact O-N 3.03Å; M1-V84 VanDerWaalsContact O-N 3.09Å; M1-E125 WeakPolarHBondContact CA-OE1 3.33Å; M1-E125 HydrophobicContact CB-CG 4.31Å; M1-E125 WeakPolarHBondContact CB-OE1 3.4Å; M1-E125 VanDerWaalsContact CB-OE2 3.26Å; M1-E125 WeakPolarHBondContact CB-OE2 3.35Å; M1-E125 VanDerWaalsContact CE-OE2 3.28Å; M1-E125 WeakPolarHBondContact CE-OE2 3.19Å; M1-E125 PolarHBondContact N-OE1 3.14Å | |||
| 2 | S | 87.5 | Confident | 95.9 | Very high | 43 Ų | 43 | 53 Ų | 53 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -81.3 | 152.7 | -178.5 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 3 | I | 97.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -69.2 | 128.4 | 172.5 | -59 | 168 | 0 | 0 | 0 | 109.9 | V6 L24 L77 V78 V84 I90 V118 | I3-V6 HydrophobicContact CG2-CG2 3.58Å; I3-L24 HydrophobicContact CD1-CD1 4.03Å; I3-L24 HydrophobicContact CG1-CD1 4.12Å; I3-L24 HydrophobicContact CG1-CD2 4.38Å; I3-L24 HydrophobicContact CG2-CD1 4.3Å; I3-L24 HydrophobicContact CG2-CD2 4.45Å; I3-L24 HydrophobicContact CG2-CG 4.1Å; I3-L77 HydrophobicContact CD1-CB 4.05Å; I3-L77 HydrophobicContact CD1-CD1 4.28Å; I3-V78 HydrophobicContact CG2-CG2 4.17Å; I3-V84 HydrophobicContact CD1-CG1 4.37Å; I3-V84 HydrophobicContact CG1-CG1 3.61Å; I3-I90 HydrophobicContact CD1-CD1 4.29Å; I3-V118 HydrophobicContact CD1-CG2 4.39Å | ||
| 4 | L | 97.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 52% | 0.518 | 23% | 0.234 | S | C | . | . | trans | -95 | -37.9 | 179.4 | -60.5 | -179.6 | 0 | 0 | 0 | 112.5 | F25 | L4-F25 WeakPolarHBondContact CB-O 2.97Å; L4-F25 PolarHBondContact N-O 3.38Å | ||
| 5 | K | 98.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 49.1 Ų | 49.1 | 50% | 0.504 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 146.8 | 179.6 | -179.3 | 178.8 | 178.5 | -178.3 | 0 | 109.2 | F25 | K5-F25 HydrophobicContact CB-CB 4.04Å; K5-F25 HydrophobicContact CB-CD2 3.84Å; K5-F25 HydrophobicContact CB-CG 4.18Å; K5-F25 HydrophobicContact CD-CD2 4.13Å; K5-F25 HydrophobicContact CD-CE2 4.24Å; K5-F25 HydrophobicContact CG-CD2 4.01Å; K5-F25 HydrophobicContact CG-CE2 4.44Å; K5-F25 PolarHBondContact O-N 2.96Å |
| 6 | V | 98.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.6 | 165.4 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | I3 V22 D23 L24 I69 A74 V114 | I3-V6 HydrophobicContact CG2-CG2 3.58Å; V6-V22 HydrophobicContact CG1-CG1 3.65Å; V6-D23 CarbonylContact C-O 3.59Å; V6-D23 WeakPolarHBondContact CA-O 3.44Å; V6-L24 HydrophobicContact CG2-CD1 4.22Å; V6-L24 HydrophobicContact CG2-CG 4.19Å; V6-I69 HydrophobicContact CG1-CG2 3.93Å; V6-A74 HydrophobicContact CB-CB 3.66Å; V6-A74 HydrophobicContact CG1-CB 4.24Å; V6-V114 HydrophobicContact CG1-CG2 4.27Å |
| 7 | H | 98.8 | Very high | 96.5 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 127.1 | 176.9 | 178 | 57 | 0 | 0 | 0 | 110.2 | R9 D23 N70 | H7-R9 PolarHBondContact CD2-NH2 2.76Å; H7-D23 PolarHBondContact N-O 3.01Å; H7-D23 PolarHBondContact O-N 3.5Å; H7-N70 WeakPolarHBondContact CA-OD1 3.28Å; H7-N70 PolarHBondContact ND1-OD1 2.7Å; H7-N70 VanDerWaalsContact ND1-OD1 3.12Å |
| 8 | A | 98.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 151.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | E21 V22 V66 I69 N70 | A8-E21 CarbonylContact C-O 3.59Å; A8-E21 WeakPolarHBondContact CA-O 3.48Å; A8-V22 HydrophobicContact CB-CG2 4.14Å; A8-V66 HydrophobicContact CB-CG1 4.13Å; A8-V66 WeakPolarHBondContact O-CG1 3.33Å; A8-I69 HydrophobicContact CB-CB 3.68Å; A8-I69 HydrophobicContact CB-CD1 3.45Å; A8-I69 VanDerWaalsContact CB-CD1 3.45Å; A8-I69 HydrophobicContact CB-CG1 4.2Å; A8-I69 HydrophobicContact CB-CG2 3.67Å; A8-N70 PolarHBondContact N-OD1 3.33Å; A8-N70 PolarHBondContact O-ND2 3.4Å |
| 9 | R | 98.9 | Very high | 96.8 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 165.4 | 172.7 | 66.5 | -175.9 | 66.6 | 80.7 | -0 | 110.7 | H7 I11 E21 D23 | H7-R9 PolarHBondContact CD2-NH2 2.76Å; R9-I11 HydrophobicContact CG-CG2 4.1Å; R9-E21 WeakPolarHBondContact CD-OE1 3.35Å; R9-E21 HydrophobicContact CG-CB 4Å; R9-E21 IonicContact CZ-OE1 3.62Å; R9-E21 PolarHBondContact N-O 3.43Å; R9-E21 IonicContact NE-OE1 2.55Å; R9-E21 IonicContact NH1-OE1 2.65Å; R9-E21 PolarHBondContact NH1-OE1 2.96Å; R9-E21 PolarHBondContact O-N 2.9Å; R9-D23 IonicContact CZ-OD1 3.65Å; R9-D23 IonicContact CZ-OD2 3.44Å; R9-D23 VanDerWaalsContact CZ-OD2 3.28Å; R9-D23 IonicContact NH1-OD1 3.3Å; R9-D23 PolarHBondContact NH1-OD1 3.23Å; R9-D23 IonicContact NH1-OD2 3.59Å; R9-D23 PolarHBondContact NH1-OD2 2.69Å; R9-D23 IonicContact NH2-OD2 3Å; R9-D23 PolarHBondContact NH2-OD2 2.73Å |
| 10 | E | 98.8 | Very high | 96.9 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129.3 | 171 | -174.7 | 175.8 | 73.7 | 0 | 0 | 109.2 | P18 T19 R56 Y57 V62 V66 | E10-P18 HydrophobicContact CG-CB 3.7Å; E10-P18 WeakPolarHBondContact OE2-CB 3.26Å; E10-T19 WeakPolarHBondContact CA-O 3.05Å; E10-R56 IonicContact OE1-CZ 3.73Å; E10-R56 VanDerWaalsContact OE1-CZ 3.3Å; E10-R56 IonicContact OE1-NH1 3.11Å; E10-R56 PolarHBondContact OE1-NH1 3.08Å; E10-R56 VanDerWaalsContact OE1-NH1 3.16Å; E10-R56 IonicContact OE1-NH2 2.84Å; E10-R56 PolarHBondContact OE1-NH2 2.97Å; E10-R56 IonicContact OE2-CZ 3.56Å; E10-R56 IonicContact OE2-NH1 2.61Å; E10-R56 PolarHBondContact OE2-NH1 3.05Å; E10-R56 IonicContact OE2-NH2 2.87Å; E10-Y57 WeakPolarHBondContact OE1-CE2 3.26Å; E10-V62 HydrophobicContact CB-CG2 4.12Å; E10-V62 HydrophobicContact CG-CG2 3.59Å; E10-V62 WeakPolarHBondContact OE2-CG2 3.31Å; E10-V62 PolarHBondContact OE2-N 3.06Å; E10-V66 HydrophobicContact CB-CG2 4.47Å |
| 11 | I | 98.8 | Very high | 97 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | -174.9 | 171.3 | 66.9 | 163.6 | 0 | 0 | 0 | 109.3 | R9 P18 T19 E21 A34 T376 | R9-I11 HydrophobicContact CG-CG2 4.1Å; I11-P18 CarbonylContact O-C 3.52Å; I11-P18 VanDerWaalsContact O-CA 3.25Å; I11-P18 WeakPolarHBondContact O-CA 3.28Å; I11-T19 HydrophobicContact CD1-CG2 4.23Å; I11-T19 HydrophobicContact CG1-CG2 3.72Å; I11-T19 PolarHBondContact N-O 3.48Å; I11-T19 PolarHBondContact O-N 3.18Å; I11-E21 HydrophobicContact CD1-CB 3.99Å; I11-E21 HydrophobicContact CG1-CB 4.03Å; I11-E21 HydrophobicContact CG2-CB 3.78Å; I11-E21 HydrophobicContact CG2-CG 4.5Å; I11-A34 HydrophobicContact CD1-CB 3.74Å; I11-T376 HydrophobicContact CD1-CG2 4.46Å |
| 12 | F | 98.7 | Very high | 97.9 | Very high | 103 Ų | 103 | 36.6 Ų | 36.6 | 45% | 0.452 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.4 | 176.4 | -67.1 | -84.4 | 0 | 0 | 0 | 111.9 | G16 N17 P18 Y57 | F12-G16 WeakPolarHBondContact CD1-O 3.37Å; F12-N17 CarbonylContact C-O 3.55Å; F12-N17 WeakPolarHBondContact CA-O 3.44Å; F12-P18 HydrophobicContact CE1-CG 4.41Å; F12-Y57 HydrophobicContact CE1-CD1 4.19Å; F12-Y57 AromaticContact CE1-CE1 3.67Å; F12-Y57 HydrophobicContact CE1-CE1 3.67Å; F12-Y57 AromaticContact CZ-CE1 3.67Å; F12-Y57 HydrophobicContact CZ-CE1 3.67Å; F12-Y57 AromaticContact CZ-CZ 3.78Å; F12-Y57 WeakPolarHBondContact CZ-OH 3.48Å |
| 13 | D | 98.6 | Very high | 98.5 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | trans | -77.8 | 177.4 | 169.2 | 79.1 | 3.4 | 0 | 0 | 0 | 111.7 | R15 G16 N17 T19 E375 | D13-R15 PolarHBondContact O-N 2.99Å; D13-R15 WeakPolarHBondContact OD1-CA 3.33Å; D13-R15 WeakPolarHBondContact OD1-CB 3.44Å; D13-R15 PolarHBondContact OD1-N 3.09Å; D13-R15 IonicContact OD2-NE 2.69Å; D13-R15 IonicContact OD2-NH2 3.75Å; D13-G16 PolarHBondContact O-N 3.17Å; D13-G16 PolarHBondContact OD1-N 3.06Å; D13-G16 VanDerWaalsContact OD1-N 3.08Å; D13-N17 PolarHBondContact N-O 3.31Å; D13-N17 PolarHBondContact OD1-N 3.11Å; D13-T19 HydrophobicContact CB-CG2 4.32Å; D13-E375 CarbonylContact C-O 3.54Å; D13-E375 WeakPolarHBondContact CA-O 3.36Å | ||
| 14 | S | 98.1 | Very high | 98.5 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 18% | 0.175 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.5 | -178.2 | 63.7 | 0 | 0 | 0 | 0 | 114.6 | S373 E375 R400 E402 | S14-S373 PolarHBondContact OG-O 3.32Å; S14-E375 WeakPolarHBondContact CB-O 3.44Å; S14-E375 PolarHBondContact N-O 3.1Å; S14-E375 PolarHBondContact OG-N 3.2Å; S14-E375 PolarHBondContact OG-O 3.15Å; S14-R400 PolarHBondContact O-NH2 3.19Å; S14-E402 VanDerWaalsContact CB-CG 3.48Å |
| 15 | R | 96.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 32.6 Ų | 32.6 | 25% | 0.245 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.2 | 176 | -61.2 | 178.3 | -61.7 | 175.5 | -4.8 | 111.8 | D13 N17 S37 G38 A39 D209 | D13-R15 PolarHBondContact O-N 2.99Å; D13-R15 WeakPolarHBondContact OD1-CA 3.33Å; D13-R15 WeakPolarHBondContact OD1-CB 3.44Å; D13-R15 PolarHBondContact OD1-N 3.09Å; D13-R15 IonicContact OD2-NE 2.69Å; D13-R15 IonicContact OD2-NH2 3.75Å; R15-N17 VanDerWaalsContact C-N 3.32Å; R15-N17 WeakPolarHBondContact CB-ND2 3.06Å; R15-S37 PolarHBondContact NH2-O 3.48Å; R15-G38 PolarHBondContact NH1-O 3.14Å; R15-G38 PolarHBondContact NH2-O 3.4Å; R15-A39 VanDerWaalsContact NH1-CB 3.25Å; R15-D209 WeakPolarHBondContact CD-OD2 3.44Å |
| 16 | G | 97.8 | Very high | 98.6 | Very high | 46 Ų | 46 | 27.5 Ų | 27.5 | 47% | 0.474 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 75.3 | 18.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F12 D13 | F12-G16 WeakPolarHBondContact CD1-O 3.37Å; D13-G16 PolarHBondContact O-N 3.17Å; D13-G16 PolarHBondContact OD1-N 3.06Å; D13-G16 VanDerWaalsContact OD1-N 3.08Å |
| 17 | N | 98.4 | Very high | 98.5 | Very high | 24 Ų | 24 | 31.3 Ų | 31.3 | 13% | 0.128 | 17% | 0.166 | C | C | . | . | trans | -91.8 | 148.7 | 171.7 | -55.8 | -70 | 0 | 0 | 0 | 110.2 | F12 D13 R15 K60 | F12-N17 CarbonylContact C-O 3.55Å; F12-N17 WeakPolarHBondContact CA-O 3.44Å; D13-N17 PolarHBondContact N-O 3.31Å; D13-N17 PolarHBondContact OD1-N 3.11Å; R15-N17 VanDerWaalsContact C-N 3.32Å; R15-N17 WeakPolarHBondContact CB-ND2 3.06Å; N17-K60 HydrophobicContact CB-CD 4.3Å; N17-K60 WeakPolarHBondContact OD1-CD 3.3Å; N17-K60 PolarHBondContact OD1-NZ 3.06Å | ||
| 18 | P | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 146.2 | 173.9 | -25.8 | 34.9 | 0 | 0 | 0 | 113.2 | E10 I11 F12 R50 Y57 V62 | E10-P18 HydrophobicContact CG-CB 3.7Å; E10-P18 WeakPolarHBondContact OE2-CB 3.26Å; I11-P18 CarbonylContact O-C 3.52Å; I11-P18 VanDerWaalsContact O-CA 3.25Å; I11-P18 WeakPolarHBondContact O-CA 3.28Å; F12-P18 HydrophobicContact CE1-CG 4.41Å; P18-R50 PolarHBondContact O-NH1 2.96Å; P18-Y57 HydrophobicContact CB-CD2 4.44Å; P18-Y57 HydrophobicContact CG-CD1 4.03Å; P18-Y57 HydrophobicContact CG-CD2 3.31Å; P18-Y57 HydrophobicContact CG-CE1 4.5Å; P18-Y57 HydrophobicContact CG-CE2 3.82Å; P18-Y57 HydrophobicContact CG-CG 3.42Å; P18-Y57 VanDerWaalsContact CG-CG 3.42Å; P18-V62 HydrophobicContact CB-CG2 4.2Å |
| 19 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 170.5 | 167.7 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | E10 I11 D13 V35 T376 | E10-T19 WeakPolarHBondContact CA-O 3.05Å; I11-T19 HydrophobicContact CD1-CG2 4.23Å; I11-T19 HydrophobicContact CG1-CG2 3.72Å; I11-T19 PolarHBondContact N-O 3.48Å; I11-T19 PolarHBondContact O-N 3.18Å; D13-T19 HydrophobicContact CB-CG2 4.32Å; T19-V35 WeakPolarHBondContact CB-O 3.48Å; T19-V35 WeakPolarHBondContact CG2-O 3.13Å; T19-V35 PolarHBondContact OG1-O 3.18Å; T19-T376 HydrophobicContact CG2-CG2 3.92Å |
| 20 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.6 | -176 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | V22 A34 V35 V62 A65 V66 I69 N109 | V20-V22 HydrophobicContact CG1-CG2 3.99Å; V20-A34 WeakPolarHBondContact O-CA 3.47Å; V20-V35 HydrophobicContact CB-CB 4.49Å; V20-V35 HydrophobicContact CB-CG2 4.36Å; V20-V35 PolarHBondContact O-N 3.28Å; V20-V62 HydrophobicContact CG2-CB 4.06Å; V20-V62 HydrophobicContact CG2-CG2 4.05Å; V20-A65 HydrophobicContact CG2-CB 3.91Å; V20-V66 HydrophobicContact CG2-CG2 4.3Å; V20-I69 HydrophobicContact CG1-CD1 3.5Å; V20-N109 HydrophobicContact CG2-CB 4.3Å |
| 21 | E | 98.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.4 | 163.8 | -176.5 | -175.7 | 84.9 | 0 | 0 | 110 | A8 R9 I11 R32 A33 A34 | A8-E21 CarbonylContact C-O 3.59Å; A8-E21 WeakPolarHBondContact CA-O 3.48Å; R9-E21 WeakPolarHBondContact CD-OE1 3.35Å; R9-E21 HydrophobicContact CG-CB 4Å; R9-E21 IonicContact CZ-OE1 3.62Å; R9-E21 PolarHBondContact N-O 3.43Å; R9-E21 IonicContact NE-OE1 2.55Å; R9-E21 IonicContact NH1-OE1 2.65Å; R9-E21 PolarHBondContact NH1-OE1 2.96Å; R9-E21 PolarHBondContact O-N 2.9Å; I11-E21 HydrophobicContact CD1-CB 3.99Å; I11-E21 HydrophobicContact CG1-CB 4.03Å; I11-E21 HydrophobicContact CG2-CB 3.78Å; I11-E21 HydrophobicContact CG2-CG 4.5Å; E21-R32 VanDerWaalsContact CD-CD 3.43Å; E21-R32 HydrophobicContact CG-CG 3.76Å; E21-R32 IonicContact OE1-CZ 3.97Å; E21-R32 IonicContact OE1-NE 2.76Å; E21-R32 PolarHBondContact OE1-NE 2.95Å; E21-R32 VanDerWaalsContact OE2-CD 3.29Å; E21-R32 WeakPolarHBondContact OE2-CD 3.46Å; E21-R32 IonicContact OE2-NE 2.65Å; E21-A33 CarbonylContact C-O 3.34Å; E21-A33 WeakPolarHBondContact CA-O 3.48Å; E21-A34 HydrophobicContact CB-CB 4.42Å; E21-A34 HydrophobicContact CG-CB 4.44Å |
| 22 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.1 | 179.6 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | V6 A8 V20 R32 A33 I69 V114 A117 | V6-V22 HydrophobicContact CG1-CG1 3.65Å; A8-V22 HydrophobicContact CB-CG2 4.14Å; V20-V22 HydrophobicContact CG1-CG2 3.99Å; V22-R32 CarbonylContact O-C 3.56Å; V22-R32 VanDerWaalsContact O-CA 3.29Å; V22-R32 WeakPolarHBondContact O-CA 3.45Å; V22-A33 PolarHBondContact N-O 2.85Å; V22-A33 PolarHBondContact O-N 3.28Å; V22-I69 HydrophobicContact CG2-CD1 3.77Å; V22-V114 HydrophobicContact CG1-CG2 4.09Å; V22-V114 HydrophobicContact CG2-CG2 4.22Å; V22-A117 HydrophobicContact CG1-CB 4.26Å |
| 23 | D | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125 | 163.1 | -71.3 | -4 | 0 | 0 | 0 | 110 | V6 H7 R9 F25 L30 F31 R32 | V6-D23 CarbonylContact C-O 3.59Å; V6-D23 WeakPolarHBondContact CA-O 3.44Å; H7-D23 PolarHBondContact N-O 3.01Å; H7-D23 PolarHBondContact O-N 3.5Å; R9-D23 IonicContact CZ-OD1 3.65Å; R9-D23 IonicContact CZ-OD2 3.44Å; R9-D23 VanDerWaalsContact CZ-OD2 3.28Å; R9-D23 IonicContact NH1-OD1 3.3Å; R9-D23 PolarHBondContact NH1-OD1 3.23Å; R9-D23 IonicContact NH1-OD2 3.59Å; R9-D23 PolarHBondContact NH1-OD2 2.69Å; R9-D23 IonicContact NH2-OD2 3Å; R9-D23 PolarHBondContact NH2-OD2 2.73Å; D23-F25 HydrophobicContact CB-CD2 4.44Å; D23-F25 HydrophobicContact CB-CE2 3.63Å; D23-F25 HydrophobicContact CB-CZ 4.08Å; D23-L30 HydrophobicContact CB-CD1 4.37Å; D23-L30 HydrophobicContact CB-CD2 4.45Å; D23-L30 HydrophobicContact CB-CG 4.2Å; D23-F31 CarbonylContact C-O 3.53Å; D23-F31 WeakPolarHBondContact CA-O 3.42Å; D23-R32 WeakPolarHBondContact OD1-CG 3.43Å; D23-R32 IonicContact OD1-CZ 3.52Å; D23-R32 IonicContact OD1-NE 2.86Å; D23-R32 PolarHBondContact OD1-NE 3.13Å; D23-R32 IonicContact OD1-NH2 2.71Å; D23-R32 PolarHBondContact OD1-NH2 2.89Å; D23-R32 IonicContact OD2-CZ 2.94Å; D23-R32 IonicContact OD2-NE 3.36Å; D23-R32 IonicContact OD2-NH2 2.76Å; D23-R32 PolarHBondContact OD2-NH2 3.44Å |
| 24 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.4 | 170.3 | -173.8 | 151.5 | 0 | 0 | 0 | 109.3 | I3 V6 T26 L30 F31 V84 A117 V118 A121 | I3-L24 HydrophobicContact CD1-CD1 4.03Å; I3-L24 HydrophobicContact CG1-CD1 4.12Å; I3-L24 HydrophobicContact CG1-CD2 4.38Å; I3-L24 HydrophobicContact CG2-CD1 4.3Å; I3-L24 HydrophobicContact CG2-CD2 4.45Å; I3-L24 HydrophobicContact CG2-CG 4.1Å; V6-L24 HydrophobicContact CG2-CD1 4.22Å; V6-L24 HydrophobicContact CG2-CG 4.19Å; L24-T26 HydrophobicContact CD2-CG2 3.6Å; L24-L30 CarbonylContact O-C 3.54Å; L24-L30 WeakPolarHBondContact O-CA 3.34Å; L24-F31 HydrophobicContact CD2-CD2 4.2Å; L24-F31 PolarHBondContact N-O 2.85Å; L24-F31 WeakPolarHBondContact O-CD2 3.25Å; L24-F31 PolarHBondContact O-N 2.75Å; L24-V84 HydrophobicContact CD2-CG1 4.17Å; L24-A117 HydrophobicContact CB-CB 3.85Å; L24-V118 HydrophobicContact CD1-CB 4.35Å; L24-V118 HydrophobicContact CD1-CG2 3.42Å; L24-V118 VanDerWaalsContact CD1-CG2 3.42Å; L24-A121 HydrophobicContact CD2-CB 3.78Å |
| 25 | F | 98.7 | Very high | 98.4 | Very high | 58 Ų | 58 | 32.4 Ų | 32.4 | 25% | 0.254 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.7 | -178.9 | -60.9 | -102.8 | 0 | 0 | 0 | 110.3 | L4 K5 D23 G29 L30 | L4-F25 WeakPolarHBondContact CB-O 2.97Å; L4-F25 PolarHBondContact N-O 3.38Å; K5-F25 HydrophobicContact CB-CB 4.04Å; K5-F25 HydrophobicContact CB-CD2 3.84Å; K5-F25 HydrophobicContact CB-CG 4.18Å; K5-F25 HydrophobicContact CD-CD2 4.13Å; K5-F25 HydrophobicContact CD-CE2 4.24Å; K5-F25 HydrophobicContact CG-CD2 4.01Å; K5-F25 HydrophobicContact CG-CE2 4.44Å; K5-F25 PolarHBondContact O-N 2.96Å; D23-F25 HydrophobicContact CB-CD2 4.44Å; D23-F25 HydrophobicContact CB-CE2 3.63Å; D23-F25 HydrophobicContact CB-CZ 4.08Å; F25-G29 WeakPolarHBondContact CA-O 3.32Å; F25-L30 HydrophobicContact CD1-CB 4.2Å; F25-L30 HydrophobicContact CD1-CG 4.48Å; F25-L30 HydrophobicContact CE1-CB 4.02Å; F25-L30 HydrophobicContact CE1-CD1 3.63Å; F25-L30 HydrophobicContact CE1-CG 3.98Å; F25-L30 HydrophobicContact CZ-CD1 3.61Å; F25-L30 HydrophobicContact CZ-CG 4.06Å |
| 26 | T | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | -178.5 | 165.1 | 78.8 | 0 | 0 | 0 | 0 | 108.9 | L24 K28 G29 F31 V84 A121 | L24-T26 HydrophobicContact CD2-CG2 3.6Å; T26-K28 PolarHBondContact O-N 3.28Å; T26-K28 WeakPolarHBondContact OG1-CB 3.35Å; T26-K28 PolarHBondContact OG1-N 3.49Å; T26-G29 PolarHBondContact N-O 3.13Å; T26-G29 PolarHBondContact O-N 3.24Å; T26-F31 HydrophobicContact CG2-CD2 4.33Å; T26-F31 HydrophobicContact CG2-CE2 3.98Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.43Å; T26-V84 HydrophobicContact CG2-CG1 3.9Å; T26-A121 HydrophobicContact CG2-CB 4.18Å |
| 27 | S | 97.3 | Very high | 98.4 | Very high | 88 Ų | 88 | 27.9 Ų | 27.9 | 62% | 0.615 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -5.3 | 172.5 | 70.1 | 0 | 0 | 0 | 0 | 113.6 | M1 | M1-S27 WeakPolarHBondContact CE-OG 3.37Å; M1-S27 PolarHBondContact SD-OG 3.25Å |
| 28 | K | 97.8 | Very high | 97.8 | Very high | 124 Ų | 124 | 27.1 Ų | 27.1 | 54% | 0.539 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -10.1 | 171.3 | -63 | -66.6 | -172.4 | 173.4 | 0 | 113.8 | M1 T26 F31 V124 | M1-K28 HydrophobicContact CE-CD 4.41Å; M1-K28 HydrophobicContact CE-CG 4Å; M1-K28 HydrophobicContact SD-CG 3.88Å; T26-K28 PolarHBondContact O-N 3.28Å; T26-K28 WeakPolarHBondContact OG1-CB 3.35Å; T26-K28 PolarHBondContact OG1-N 3.49Å; K28-F31 HydrophobicContact CB-CE2 4.47Å; K28-F31 HydrophobicContact CB-CZ 3.98Å; K28-V124 HydrophobicContact CB-CG1 4.01Å; K28-V124 HydrophobicContact CG-CG1 4.45Å |
| 29 | G | 97.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 34% | 0.34 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.4 | -155.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F25 T26 F31 | F25-G29 WeakPolarHBondContact CA-O 3.32Å; T26-G29 PolarHBondContact N-O 3.13Å; T26-G29 PolarHBondContact O-N 3.24Å; G29-F31 WeakPolarHBondContact O-CE2 3.02Å |
| 30 | L | 98.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 29.1 Ų | 29.1 | 40% | 0.403 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132 | -178.4 | 179.7 | 163.7 | 0 | 0 | 0 | 109.7 | D23 L24 F25 R32 | D23-L30 HydrophobicContact CB-CD1 4.37Å; D23-L30 HydrophobicContact CB-CD2 4.45Å; D23-L30 HydrophobicContact CB-CG 4.2Å; L24-L30 CarbonylContact O-C 3.54Å; L24-L30 WeakPolarHBondContact O-CA 3.34Å; F25-L30 HydrophobicContact CD1-CB 4.2Å; F25-L30 HydrophobicContact CD1-CG 4.48Å; F25-L30 HydrophobicContact CE1-CB 4.02Å; F25-L30 HydrophobicContact CE1-CD1 3.63Å; F25-L30 HydrophobicContact CE1-CG 3.98Å; F25-L30 HydrophobicContact CZ-CD1 3.61Å; F25-L30 HydrophobicContact CZ-CG 4.06Å; L30-R32 HydrophobicContact CD2-CB 3.99Å |
| 31 | F | 98.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 8% | 0.083 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.2 | 176.8 | -53.6 | -81.8 | 0 | 0 | 0 | 109.1 | D23 L24 T26 K28 G29 K120 A121 V124 | D23-F31 CarbonylContact C-O 3.53Å; D23-F31 WeakPolarHBondContact CA-O 3.42Å; L24-F31 HydrophobicContact CD2-CD2 4.2Å; L24-F31 PolarHBondContact N-O 2.85Å; L24-F31 WeakPolarHBondContact O-CD2 3.25Å; L24-F31 PolarHBondContact O-N 2.75Å; T26-F31 HydrophobicContact CG2-CD2 4.33Å; T26-F31 HydrophobicContact CG2-CE2 3.98Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.43Å; K28-F31 HydrophobicContact CB-CE2 4.47Å; K28-F31 HydrophobicContact CB-CZ 3.98Å; G29-F31 WeakPolarHBondContact O-CE2 3.02Å; F31-K120 HydrophobicContact CB-CB 4.22Å; F31-K120 HydrophobicContact CD1-CB 4.39Å; F31-A121 HydrophobicContact CB-CB 4.17Å; F31-A121 HydrophobicContact CD1-CB 4.11Å; F31-A121 HydrophobicContact CD2-CB 3.42Å; F31-A121 VanDerWaalsContact CD2-CB 3.42Å; F31-A121 HydrophobicContact CE1-CB 4.45Å; F31-A121 HydrophobicContact CE2-CB 3.82Å; F31-A121 HydrophobicContact CG-CB 3.59Å; F31-A121 HydrophobicContact CZ-CB 4.31Å; F31-V124 HydrophobicContact CD1-CG2 4.43Å; F31-V124 HydrophobicContact CE1-CB 3.54Å; F31-V124 HydrophobicContact CE1-CG1 3.92Å; F31-V124 HydrophobicContact CE1-CG2 3.59Å; F31-V124 HydrophobicContact CZ-CB 3.91Å; F31-V124 HydrophobicContact CZ-CG1 3.94Å; F31-V124 HydrophobicContact CZ-CG2 4.42Å |
| 32 | R | 98.9 | Very high | 93.4 | Very high | 112 Ų | 112 | 32 Ų | 32 | 42% | 0.423 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.5 | -172.1 | -179.3 | 170.6 | -72 | 168.3 | 4.4 | 111.3 | E21 V22 D23 L30 K120 | E21-R32 VanDerWaalsContact CD-CD 3.43Å; E21-R32 HydrophobicContact CG-CG 3.76Å; E21-R32 IonicContact OE1-CZ 3.97Å; E21-R32 IonicContact OE1-NE 2.76Å; E21-R32 PolarHBondContact OE1-NE 2.95Å; E21-R32 VanDerWaalsContact OE2-CD 3.29Å; E21-R32 WeakPolarHBondContact OE2-CD 3.46Å; E21-R32 IonicContact OE2-NE 2.65Å; V22-R32 CarbonylContact O-C 3.56Å; V22-R32 VanDerWaalsContact O-CA 3.29Å; V22-R32 WeakPolarHBondContact O-CA 3.45Å; D23-R32 WeakPolarHBondContact OD1-CG 3.43Å; D23-R32 IonicContact OD1-CZ 3.52Å; D23-R32 IonicContact OD1-NE 2.86Å; D23-R32 PolarHBondContact OD1-NE 3.13Å; D23-R32 IonicContact OD1-NH2 2.71Å; D23-R32 PolarHBondContact OD1-NH2 2.89Å; D23-R32 IonicContact OD2-CZ 2.94Å; D23-R32 IonicContact OD2-NE 3.36Å; D23-R32 IonicContact OD2-NH2 2.76Å; D23-R32 PolarHBondContact OD2-NH2 3.44Å; L30-R32 HydrophobicContact CD2-CB 3.99Å; R32-K120 WeakPolarHBondContact O-CD 3.45Å; R32-K120 WeakPolarHBondContact O-CE 3.47Å; R32-K120 PolarHBondContact O-NZ 3.09Å |
| 33 | A | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | E21 V22 L116 A117 D378 | E21-A33 CarbonylContact C-O 3.34Å; E21-A33 WeakPolarHBondContact CA-O 3.48Å; V22-A33 PolarHBondContact N-O 2.85Å; V22-A33 PolarHBondContact O-N 3.28Å; A33-L116 HydrophobicContact CB-CB 3.41Å; A33-L116 VanDerWaalsContact CB-CB 3.41Å; A33-L116 HydrophobicContact CB-CD1 4.32Å; A33-A117 HydrophobicContact CB-CB 4.12Å; A33-D378 WeakPolarHBondContact CA-OD2 3.38Å |
| 34 | A | 98.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I11 V20 E21 T376 D378 | I11-A34 HydrophobicContact CD1-CB 3.74Å; V20-A34 WeakPolarHBondContact O-CA 3.47Å; E21-A34 HydrophobicContact CB-CB 4.42Å; E21-A34 HydrophobicContact CG-CB 4.44Å; A34-T376 HydrophobicContact CB-CG2 3.87Å; A34-D378 HydrophobicContact CB-CB 4.32Å; A34-D378 PolarHBondContact N-OD2 3.31Å |
| 35 | V | 98.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | trans | -102.7 | 127.3 | -174 | 178 | 0 | 0 | 0 | 0 | 110.5 | T19 V20 N109 L112 G113 N345 | T19-V35 WeakPolarHBondContact CB-O 3.48Å; T19-V35 WeakPolarHBondContact CG2-O 3.13Å; T19-V35 PolarHBondContact OG1-O 3.18Å; V20-V35 HydrophobicContact CB-CB 4.49Å; V20-V35 HydrophobicContact CB-CG2 4.36Å; V20-V35 PolarHBondContact O-N 3.28Å; V35-N109 HydrophobicContact CG1-CB 3.9Å; V35-N109 WeakPolarHBondContact CG2-O 3.39Å; V35-L112 HydrophobicContact CG1-CD2 3.77Å; V35-L112 HydrophobicContact CG2-CB 4.33Å; V35-L112 HydrophobicContact CG2-CD2 4.27Å; V35-L112 HydrophobicContact CG2-CG 4.42Å; V35-G113 VanDerWaalsContact CG2-CA 3.49Å; V35-N345 HydrophobicContact CG1-CB 4.5Å | ||
| 36 | P | 98.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | trans | -77.4 | 166.6 | 174.4 | 34.5 | -37.6 | 0 | 0 | 0 | 111.7 | N345 R372 G374 | P36-N345 HydrophobicContact CG-CB 4.35Å; P36-N345 PolarHBondContact O-ND2 3.14Å; P36-N345 VanDerWaalsContact O-ND2 3.17Å; P36-R372 HydrophobicContact CB-CB 4.01Å; P36-R372 HydrophobicContact CB-CG 3.84Å; P36-R372 HydrophobicContact CG-CG 3.99Å; P36-G374 CarbonylContact C-O 3.57Å; P36-G374 WeakPolarHBondContact CA-O 3.18Å; P36-G374 WeakPolarHBondContact CB-O 3.21Å | ||
| 37 | S | 95.8 | Very high | 92.3 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -136.6 | 142.5 | 179.5 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | R15 E48 R50 R372 G374 | R15-S37 PolarHBondContact NH2-O 3.48Å; S37-E48 WeakPolarHBondContact CB-OE2 3.34Å; S37-E48 VanDerWaalsContact OG-CD 3.29Å; S37-E48 PolarHBondContact OG-OE1 3.02Å; S37-E48 VanDerWaalsContact OG-OE1 3.09Å; S37-E48 PolarHBondContact OG-OE2 2.85Å; S37-R50 PolarHBondContact OG-NH2 3.28Å; S37-R372 WeakPolarHBondContact O-CB 3.35Å; S37-G374 PolarHBondContact N-O 2.63Å; S37-G374 CarbonylContact O-C 3.46Å; S37-G374 WeakPolarHBondContact O-CA 3.4Å; S37-G374 PolarHBondContact O-N 2.94Å |
| 38 | G | 84.7 | Confident | 92.3 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | trans | -82.7 | 167.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R15 | R15-G38 PolarHBondContact NH1-O 3.14Å; R15-G38 PolarHBondContact NH2-O 3.4Å | ||
| 39 | A | 76.3 | Confident | 92.3 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 31% | 0.314 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -108.9 | -62.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R15 S373 | R15-A39 VanDerWaalsContact NH1-CB 3.25Å; A39-S373 WeakPolarHBondContact CB-OG 3.4Å; A39-S373 PolarHBondContact N-OG 2.79Å |
| 40 | S | 68.1 | Low | 92.3 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -78.3 | 119.9 | 160.4 | 57.9 | 0 | 0 | 0 | 0 | 108 | Q166 R372 | S40-Q166 PolarHBondContact OG-NE2 3.06Å; S40-R372 PolarHBondContact O-NH2 3.02Å |
| 41 | T | 79.2 | Confident | 92.3 | Very high | 72 Ų | 72 | 33.6 Ų | 33.6 | 44% | 0.442 | 17% | 0.173 | S | C | . | . | trans | -125.2 | 116.3 | 179.1 | 55.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 42 | G | 79.1 | Confident | 92.2 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | trans | -54.4 | 143.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y44 E45 Q298 D319 | G42-Y44 PolarHBondContact O-N 3.04Å; G42-E45 PolarHBondContact N-OE1 3.08Å; G42-E45 WeakPolarHBondContact O-CG 3.32Å; G42-E45 PolarHBondContact O-N 3.31Å; G42-Q298 VanDerWaalsContact CA-OE1 3.3Å; G42-D319 VanDerWaalsContact CA-OD1 3.29Å; G42-D319 WeakPolarHBondContact CA-OD1 3.49Å; G42-D319 PolarHBondContact N-OD1 3.1Å | ||
| 43 | I | 89.3 | Confident | 92.1 | Very high | 116 Ų | 116 | 36.8 Ų | 36.8 | 60% | 0.595 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -12.1 | -173.6 | 66.4 | -177 | 0 | 0 | 0 | 113 | ||
| 44 | Y | 93.8 | Very high | 92 | Very high | 88 Ų | 88 | 45.6 Ų | 45.6 | 35% | 0.345 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 2.2 | -178.4 | -59.1 | -72.6 | 0 | 0 | 0 | 113.7 | G42 Q298 D299 R327 | G42-Y44 PolarHBondContact O-N 3.04Å; Y44-Q298 HydrophobicContact CE2-CG 4.4Å; Y44-D299 WeakPolarHBondContact CE2-OD1 3.47Å; Y44-D299 WeakPolarHBondContact CE2-OD2 3.22Å; Y44-D299 VanDerWaalsContact OH-CG 3.26Å; Y44-D299 PolarHBondContact OH-OD1 3.34Å; Y44-D299 PolarHBondContact OH-OD2 3.44Å; Y44-R327 VanDerWaalsContact CD2-CZ 3.46Å; Y44-R327 VanDerWaalsContact CD2-NH1 3.32Å; Y44-R327 VanDerWaalsContact CE2-CZ 3.41Å |
| 45 | E | 94.7 | Very high | 91.9 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -60.3 | 151.2 | 175.8 | -68.9 | -168.9 | -164.6 | 0 | 0 | 111.8 | G42 V322 Q346 R372 | G42-E45 PolarHBondContact N-OE1 3.08Å; G42-E45 WeakPolarHBondContact O-CG 3.32Å; G42-E45 PolarHBondContact O-N 3.31Å; E45-V322 HydrophobicContact CG-CB 4.07Å; E45-V322 HydrophobicContact CG-CG1 3.68Å; E45-Q346 VanDerWaalsContact CD-CG 3.47Å; E45-Q346 HydrophobicContact CG-CB 4.1Å; E45-Q346 HydrophobicContact CG-CG 3.77Å; E45-Q346 PolarHBondContact OE1-NE2 2.76Å; E45-R372 IonicContact OE1-CZ 2.99Å; E45-R372 IonicContact OE1-NH1 3.3Å; E45-R372 IonicContact OE1-NH2 3.66Å; E45-R372 PolarHBondContact OE1-NH2 2.78Å; E45-R372 IonicContact OE2-CZ 3.89Å; E45-R372 IonicContact OE2-NH1 2.69Å; E45-R372 PolarHBondContact OE2-NH1 3.26Å; E45-R372 IonicContact OE2-NH2 3.98Å; E45-R372 PolarHBondContact OE2-NH2 3.29Å; E45-R372 VanDerWaalsContact OE2-NH2 3.08Å |
| 46 | A | 96.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 143.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110 | E48 K103 A108 Q346 | A46-E48 PolarHBondContact O-N 3.37Å; A46-K103 HydrophobicContact CB-CD 4.35Å; A46-A108 HydrophobicContact CB-CB 3.59Å; A46-Q346 WeakPolarHBondContact CB-O 3.42Å; A46-Q346 PolarHBondContact N-O 2.82Å |
| 47 | L | 97 | Very high | 91.8 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 118.7 | -167.9 | -176.4 | 72.5 | 0 | 0 | 0 | 111.6 | L49 N102 G107 A108 | L47-L49 PolarHBondContact O-N 2.66Å; L47-N102 PolarHBondContact N-O 2.87Å; L47-G107 CarbonylContact O-C 3.54Å; L47-G107 WeakPolarHBondContact O-CA 3.23Å; L47-A108 WeakPolarHBondContact O-CB 3.49Å; L47-A108 PolarHBondContact O-N 2.97Å |
| 48 | E | 97.4 | Very high | 91.9 | Very high | 43 Ų | 43 | 67 Ų | 67 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | trans | -76 | 109.8 | 163.4 | -167.3 | -171.5 | 146.1 | 0 | 0 | 110.1 | S37 A46 R50 N109 | S37-E48 WeakPolarHBondContact CB-OE2 3.34Å; S37-E48 VanDerWaalsContact OG-CD 3.29Å; S37-E48 PolarHBondContact OG-OE1 3.02Å; S37-E48 VanDerWaalsContact OG-OE1 3.09Å; S37-E48 PolarHBondContact OG-OE2 2.85Å; A46-E48 PolarHBondContact O-N 3.37Å; E48-R50 PolarHBondContact O-N 3.07Å; E48-R50 IonicContact OE1-CZ 3.28Å; E48-R50 IonicContact OE1-NE 2.78Å; E48-R50 PolarHBondContact OE1-NE 3.4Å; E48-R50 IonicContact OE1-NH2 3Å; E48-R50 PolarHBondContact OE1-NH2 2.89Å; E48-N109 HydrophobicContact CG-CB 4.16Å | ||
| 49 | L | 97.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | trans | -78.3 | 114.7 | -176.4 | -177.1 | 65.3 | 0 | 0 | 0 | 111.1 | L47 K64 A65 F106 N109 | L47-L49 PolarHBondContact O-N 2.66Å; L49-K64 HydrophobicContact CD2-CB 4.01Å; L49-K64 HydrophobicContact CG-CB 4.42Å; L49-A65 HydrophobicContact CB-CB 4.42Å; L49-A65 HydrophobicContact CD2-CB 4.45Å; L49-F106 WeakPolarHBondContact CD2-O 3.46Å; L49-N109 PolarHBondContact N-OD1 3.17Å; L49-N109 PolarHBondContact O-ND2 3.18Å | ||
| 50 | R | 98.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 69.1 Ų | 69.1 | 13% | 0.125 | 34% | 0.34 | C | S | . | . | trans | -109.5 | 153.8 | 173.3 | -63.2 | -67.8 | -172.3 | 162.5 | -5.5 | 111.3 | P18 S37 E48 N52 K60 G61 | P18-R50 PolarHBondContact O-NH1 2.96Å; S37-R50 PolarHBondContact OG-NH2 3.28Å; E48-R50 PolarHBondContact O-N 3.07Å; E48-R50 IonicContact OE1-CZ 3.28Å; E48-R50 IonicContact OE1-NE 2.78Å; E48-R50 PolarHBondContact OE1-NE 3.4Å; E48-R50 IonicContact OE1-NH2 3Å; E48-R50 PolarHBondContact OE1-NH2 2.89Å; R50-N52 VanDerWaalsContact C-N 3.34Å; R50-N52 PolarHBondContact O-N 3.37Å; R50-N52 PolarHBondContact O-ND2 3.46Å; R50-K60 PolarHBondContact NH1-O 3.06Å; R50-G61 CarbonylContact C-O 3.52Å; R50-G61 WeakPolarHBondContact CA-O 3.4Å | ||
| 51 | D | 97.8 | Very high | 95 | Very high | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.059 | 34% | 0.339 | C | S | . | . | trans | -68.6 | -33.6 | -177.2 | -68.1 | -18.6 | 0 | 0 | 0 | 112.5 | D53 R56 G61 V62 S63 K64 | D51-D53 PolarHBondContact O-N 3.4Å; D51-R56 IonicContact OD2-NH1 2.76Å; D51-G61 VanDerWaalsContact CG-O 3.24Å; D51-G61 PolarHBondContact N-O 3.04Å; D51-G61 WeakPolarHBondContact OD2-CA 3.36Å; D51-V62 PolarHBondContact OD2-N 2.92Å; D51-S63 PolarHBondContact OD1-N 3.17Å; D51-S63 PolarHBondContact OD1-OG 2.85Å; D51-S63 VanDerWaalsContact OD1-OG 3.1Å; D51-S63 WeakPolarHBondContact OD2-CB 3.43Å; D51-S63 PolarHBondContact OD2-N 3.45Å; D51-S63 PolarHBondContact OD2-OG 2.85Å; D51-K64 PolarHBondContact O-NZ 3.19Å; D51-K64 WeakPolarHBondContact OD1-CG 3.39Å; D51-K64 PolarHBondContact OD1-N 3.29Å | ||
| 52 | N | 96.9 | Very high | 95.9 | Very high | 127 Ų | 127 | 65.5 Ų | 65.5 | 68% | 0.679 | 32% | 0.318 | S | S | * | . | trans | 59.7 | 20.1 | -175.1 | -64.8 | -50.6 | 0 | 0 | 0 | 114.5 | R50 K54 G59 | R50-N52 VanDerWaalsContact C-N 3.34Å; R50-N52 PolarHBondContact O-N 3.37Å; R50-N52 PolarHBondContact O-ND2 3.46Å; N52-K54 PolarHBondContact O-N 2.78Å; N52-G59 VanDerWaalsContact CA-O 3.27Å; N52-G59 WeakPolarHBondContact CA-O 3.43Å; N52-G59 PolarHBondContact N-O 3.36Å | ||
| 53 | D | 97.2 | Very high | 96.8 | Very high | 71 Ų | 71 | 67.9 Ų | 67.9 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | trans | -82.6 | 103.1 | 170.6 | 177.8 | 2.5 | 0 | 0 | 0 | 110.5 | D51 T55 R56 G59 | D51-D53 PolarHBondContact O-N 3.4Å; D53-T55 VanDerWaalsContact CG-OG1 3.27Å; D53-T55 PolarHBondContact O-N 2.95Å; D53-T55 WeakPolarHBondContact OD1-CB 3.45Å; D53-T55 PolarHBondContact OD1-N 3.34Å; D53-T55 PolarHBondContact OD1-OG1 2.96Å; D53-T55 PolarHBondContact OD2-OG1 3.19Å; D53-R56 HydrophobicContact CB-CB 4.45Å; D53-R56 PolarHBondContact O-N 3.09Å; D53-G59 WeakPolarHBondContact O-CA 3.47Å; D53-G59 PolarHBondContact O-N 3.4Å; D53-G59 VanDerWaalsContact O-N 3.07Å | ||
| 54 | K | 96.3 | Very high | 97.3 | Very high | 185 Ų | 185 | 67 Ų | 67 | 80% | 0.804 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.8 | -178.5 | -66.7 | -174.7 | 178.8 | -179.1 | 0 | 113.6 | N52 R56 | N52-K54 PolarHBondContact O-N 2.78Å; K54-R56 VanDerWaalsContact C-N 3.31Å |
| 55 | T | 97.6 | Very high | 97.5 | Very high | 128 Ų | 128 | 62.8 Ų | 62.8 | 79% | 0.785 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.7 | 179 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | D53 | D53-T55 VanDerWaalsContact CG-OG1 3.27Å; D53-T55 PolarHBondContact O-N 2.95Å; D53-T55 WeakPolarHBondContact OD1-CB 3.45Å; D53-T55 PolarHBondContact OD1-N 3.34Å; D53-T55 PolarHBondContact OD1-OG1 2.96Å; D53-T55 PolarHBondContact OD2-OG1 3.19Å |
| 56 | R | 97.7 | Very high | 97.7 | Very high | 83 Ų | 83 | 62.5 Ų | 62.5 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -124.9 | 117.8 | -177.4 | -172.6 | -177.6 | -172.3 | -90.4 | -3.9 | 111.1 | E10 D51 D53 K54 M58 G59 | E10-R56 IonicContact OE1-CZ 3.73Å; E10-R56 VanDerWaalsContact OE1-CZ 3.3Å; E10-R56 IonicContact OE1-NH1 3.11Å; E10-R56 PolarHBondContact OE1-NH1 3.08Å; E10-R56 VanDerWaalsContact OE1-NH1 3.16Å; E10-R56 IonicContact OE1-NH2 2.84Å; E10-R56 PolarHBondContact OE1-NH2 2.97Å; E10-R56 IonicContact OE2-CZ 3.56Å; E10-R56 IonicContact OE2-NH1 2.61Å; E10-R56 PolarHBondContact OE2-NH1 3.05Å; E10-R56 IonicContact OE2-NH2 2.87Å; D51-R56 IonicContact OD2-NH1 2.76Å; D53-R56 HydrophobicContact CB-CB 4.45Å; D53-R56 PolarHBondContact O-N 3.09Å; K54-R56 VanDerWaalsContact C-N 3.31Å; R56-M58 PolarHBondContact O-N 3.02Å; R56-M58 VanDerWaalsContact O-N 3.1Å; R56-G59 PolarHBondContact O-N 2.93Å |
| 57 | Y | 97.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 66.2 Ų | 66.2 | 38% | 0.376 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | 48.6 | 38.2 | 179.3 | -56.5 | -62.1 | 0 | 0 | 0 | 113.7 | E10 F12 P18 G59 K60 | E10-Y57 WeakPolarHBondContact OE1-CE2 3.26Å; F12-Y57 HydrophobicContact CE1-CD1 4.19Å; F12-Y57 AromaticContact CE1-CE1 3.67Å; F12-Y57 HydrophobicContact CE1-CE1 3.67Å; F12-Y57 AromaticContact CZ-CE1 3.67Å; F12-Y57 HydrophobicContact CZ-CE1 3.67Å; F12-Y57 AromaticContact CZ-CZ 3.78Å; F12-Y57 WeakPolarHBondContact CZ-OH 3.48Å; P18-Y57 HydrophobicContact CB-CD2 4.44Å; P18-Y57 HydrophobicContact CG-CD1 4.03Å; P18-Y57 HydrophobicContact CG-CD2 3.31Å; P18-Y57 HydrophobicContact CG-CE1 4.5Å; P18-Y57 HydrophobicContact CG-CE2 3.82Å; P18-Y57 HydrophobicContact CG-CG 3.42Å; P18-Y57 VanDerWaalsContact CG-CG 3.42Å; Y57-G59 PolarHBondContact O-N 3.42Å; Y57-K60 VanDerWaalsContact O-CB 3.3Å; Y57-K60 WeakPolarHBondContact O-CB 3.36Å; Y57-K60 PolarHBondContact O-N 3.19Å |
| 58 | M | 96.8 | Very high | 97.9 | Very high | 165 Ų | 165 | 65.3 Ų | 65.3 | 81% | 0.813 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | 57.5 | 31 | -179.5 | -44.3 | -58.6 | 174.1 | 0 | 0 | 113.7 | R56 K60 | R56-M58 PolarHBondContact O-N 3.02Å; R56-M58 VanDerWaalsContact O-N 3.1Å; M58-K60 VanDerWaalsContact C-N 3.35Å |
| 59 | G | 97.2 | Very high | 98 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | 89.3 | -6.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N52 D53 R56 Y57 G61 | N52-G59 VanDerWaalsContact CA-O 3.27Å; N52-G59 WeakPolarHBondContact CA-O 3.43Å; N52-G59 PolarHBondContact N-O 3.36Å; D53-G59 WeakPolarHBondContact O-CA 3.47Å; D53-G59 PolarHBondContact O-N 3.4Å; D53-G59 VanDerWaalsContact O-N 3.07Å; R56-G59 PolarHBondContact O-N 2.93Å; Y57-G59 PolarHBondContact O-N 3.42Å; G59-G61 PolarHBondContact O-N 3.2Å |
| 60 | K | 98.1 | Very high | 98 | Very high | 85 Ų | 85 | 64.3 Ų | 64.3 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 14.2 | -171.3 | -55.6 | -179.7 | -175.6 | 179.4 | 0 | 114.3 | N17 R50 Y57 M58 | N17-K60 HydrophobicContact CB-CD 4.3Å; N17-K60 WeakPolarHBondContact OD1-CD 3.3Å; N17-K60 PolarHBondContact OD1-NZ 3.06Å; R50-K60 PolarHBondContact NH1-O 3.06Å; Y57-K60 VanDerWaalsContact O-CB 3.3Å; Y57-K60 WeakPolarHBondContact O-CB 3.36Å; Y57-K60 PolarHBondContact O-N 3.19Å; M58-K60 VanDerWaalsContact C-N 3.35Å |
| 61 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | trans | -57 | 155.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R50 D51 G59 | R50-G61 CarbonylContact C-O 3.52Å; R50-G61 WeakPolarHBondContact CA-O 3.4Å; D51-G61 VanDerWaalsContact CG-O 3.24Å; D51-G61 PolarHBondContact N-O 3.04Å; D51-G61 WeakPolarHBondContact OD2-CA 3.36Å; G59-G61 PolarHBondContact O-N 3.2Å | ||
| 62 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -123.6 | 23.5 | 175.3 | -65 | 0 | 0 | 0 | 0 | 112.2 | E10 P18 V20 D51 K64 A65 V66 | E10-V62 HydrophobicContact CB-CG2 4.12Å; E10-V62 HydrophobicContact CG-CG2 3.59Å; E10-V62 WeakPolarHBondContact OE2-CG2 3.31Å; E10-V62 PolarHBondContact OE2-N 3.06Å; P18-V62 HydrophobicContact CB-CG2 4.2Å; V20-V62 HydrophobicContact CG2-CB 4.06Å; V20-V62 HydrophobicContact CG2-CG2 4.05Å; D51-V62 PolarHBondContact OD2-N 2.92Å; V62-K64 VanDerWaalsContact C-N 3.27Å; V62-K64 PolarHBondContact O-N 3Å; V62-A65 HydrophobicContact CB-CB 4.49Å; V62-A65 PolarHBondContact O-N 3.45Å; V62-V66 HydrophobicContact CG2-CG2 4.33Å; V62-V66 WeakPolarHBondContact O-CG2 3.4Å; V62-V66 PolarHBondContact O-N 3.18Å | ||
| 63 | S | 98.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 65.7 Ų | 65.7 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | -177 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | D51 V66 E67 | D51-S63 PolarHBondContact OD1-N 3.17Å; D51-S63 PolarHBondContact OD1-OG 2.85Å; D51-S63 VanDerWaalsContact OD1-OG 3.1Å; D51-S63 WeakPolarHBondContact OD2-CB 3.43Å; D51-S63 PolarHBondContact OD2-N 3.45Å; D51-S63 PolarHBondContact OD2-OG 2.85Å; S63-V66 PolarHBondContact O-N 3.41Å; S63-E67 VanDerWaalsContact O-CB 3.31Å; S63-E67 WeakPolarHBondContact O-CB 3.44Å; S63-E67 PolarHBondContact O-N 3.08Å |
| 64 | K | 98.7 | Very high | 98.2 | Very high | 97 Ų | 97 | 62.6 Ų | 62.6 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 173.8 | -68 | 175 | -176.8 | 166.2 | 0 | 112.7 | L49 D51 V62 E67 H68 | L49-K64 HydrophobicContact CD2-CB 4.01Å; L49-K64 HydrophobicContact CG-CB 4.42Å; D51-K64 PolarHBondContact O-NZ 3.19Å; D51-K64 WeakPolarHBondContact OD1-CG 3.39Å; D51-K64 PolarHBondContact OD1-N 3.29Å; V62-K64 VanDerWaalsContact C-N 3.27Å; V62-K64 PolarHBondContact O-N 3Å; K64-E67 WeakPolarHBondContact O-CB 3.16Å; K64-E67 PolarHBondContact O-N 2.91Å; K64-H68 PolarHBondContact O-CD2 2.9Å; K64-H68 PolarHBondContact O-N 2.95Å |
| 65 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V20 L49 V62 E67 H68 I69 A110 | V20-A65 HydrophobicContact CG2-CB 3.91Å; L49-A65 HydrophobicContact CB-CB 4.42Å; L49-A65 HydrophobicContact CD2-CB 4.45Å; V62-A65 HydrophobicContact CB-CB 4.49Å; V62-A65 PolarHBondContact O-N 3.45Å; A65-E67 VanDerWaalsContact C-N 3.29Å; A65-E67 PolarHBondContact O-N 3.07Å; A65-H68 PolarHBondContact O-N 3.1Å; A65-I69 WeakPolarHBondContact O-CG1 3.26Å; A65-I69 PolarHBondContact O-N 3.44Å; A65-I69 VanDerWaalsContact O-N 3.12Å; A65-A110 HydrophobicContact CB-CB 4.28Å |
| 66 | V | 98.9 | Very high | 98.4 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | A8 E10 V20 V62 S63 I69 N70 | A8-V66 HydrophobicContact CB-CG1 4.13Å; A8-V66 WeakPolarHBondContact O-CG1 3.33Å; E10-V66 HydrophobicContact CB-CG2 4.47Å; V20-V66 HydrophobicContact CG2-CG2 4.3Å; V62-V66 HydrophobicContact CG2-CG2 4.33Å; V62-V66 WeakPolarHBondContact O-CG2 3.4Å; V62-V66 PolarHBondContact O-N 3.18Å; S63-V66 PolarHBondContact O-N 3.41Å; V66-I69 PolarHBondContact O-N 3.26Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.44Å; V66-N70 WeakPolarHBondContact O-CB 2.82Å; V66-N70 PolarHBondContact O-N 3.5Å; V66-N70 PolarHBondContact O-ND2 3.36Å; V66-N70 VanDerWaalsContact O-ND2 3.13Å |
| 67 | E | 98.8 | Very high | 98.3 | Very high | 90 Ų | 90 | 48 Ų | 48 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 176.8 | -175.5 | 172.3 | -176.5 | 0 | 0 | 112.1 | S63 K64 A65 I69 N70 K71 | S63-E67 VanDerWaalsContact O-CB 3.31Å; S63-E67 WeakPolarHBondContact O-CB 3.44Å; S63-E67 PolarHBondContact O-N 3.08Å; K64-E67 WeakPolarHBondContact O-CB 3.16Å; K64-E67 PolarHBondContact O-N 2.91Å; A65-E67 VanDerWaalsContact C-N 3.29Å; A65-E67 PolarHBondContact O-N 3.07Å; E67-I69 VanDerWaalsContact C-N 3.27Å; E67-I69 PolarHBondContact O-N 2.79Å; E67-N70 PolarHBondContact O-N 3.14Å; E67-K71 HydrophobicContact CG-CD 3.63Å; E67-K71 HydrophobicContact CG-CG 4.04Å; E67-K71 WeakPolarHBondContact O-CB 3.33Å; E67-K71 PolarHBondContact O-N 3.3Å; E67-K71 WeakPolarHBondContact OE1-CD 3.41Å; E67-K71 WeakPolarHBondContact OE1-CE 3.35Å; E67-K71 IonicContact OE1-NZ 3.63Å; E67-K71 PolarHBondContact OE1-NZ 3.01Å |
| 68 | H | 98.9 | Very high | 98.3 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -41.3 | 175.1 | -72.3 | -52.3 | 0 | 0 | 0 | 112 | K64 A65 T72 I73 K105 F106 | K64-H68 PolarHBondContact O-CD2 2.9Å; K64-H68 PolarHBondContact O-N 2.95Å; A65-H68 PolarHBondContact O-N 3.1Å; H68-T72 WeakPolarHBondContact O-CA 3.1Å; H68-T72 VanDerWaalsContact O-CB 3.27Å; H68-T72 WeakPolarHBondContact O-CB 3.38Å; H68-T72 PolarHBondContact O-N 3.43Å; H68-I73 PolarHBondContact O-N 3.24Å; H68-K105 PolarHBondContact NE2-O 2.82Å; H68-F106 HydrophobicContact CB-CB 4.33Å; H68-F106 HydrophobicContact CB-CD1 4.08Å; H68-F106 HydrophobicContact CB-CG 4.44Å; H68-F106 AromaticContact CG-CD1 3.89Å; H68-F106 AromaticContact ND1-CD1 3.82Å |
| 69 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -64 | -55.1 | 176 | -59.2 | 162.2 | 0 | 0 | 0 | 110.2 | V6 A8 V20 V22 A65 V66 E67 K71 I73 A74 A110 V114 | V6-I69 HydrophobicContact CG1-CG2 3.93Å; A8-I69 HydrophobicContact CB-CB 3.68Å; A8-I69 HydrophobicContact CB-CD1 3.45Å; A8-I69 VanDerWaalsContact CB-CD1 3.45Å; A8-I69 HydrophobicContact CB-CG1 4.2Å; A8-I69 HydrophobicContact CB-CG2 3.67Å; V20-I69 HydrophobicContact CG1-CD1 3.5Å; V22-I69 HydrophobicContact CG2-CD1 3.77Å; A65-I69 WeakPolarHBondContact O-CG1 3.26Å; A65-I69 PolarHBondContact O-N 3.44Å; A65-I69 VanDerWaalsContact O-N 3.12Å; V66-I69 PolarHBondContact O-N 3.26Å; E67-I69 VanDerWaalsContact C-N 3.27Å; E67-I69 PolarHBondContact O-N 2.79Å; I69-K71 PolarHBondContact O-N 3.09Å; I69-I73 HydrophobicContact CG1-CD1 4.26Å; I69-I73 PolarHBondContact O-N 2.88Å; I69-A74 WeakPolarHBondContact O-CB 3.36Å; I69-A74 PolarHBondContact O-N 3.35Å; I69-A110 HydrophobicContact CD1-CB 4.18Å; I69-A110 HydrophobicContact CG1-CB 3.8Å; I69-V114 HydrophobicContact CG1-CG2 4.26Å; I69-V114 HydrophobicContact CG2-CG2 3.73Å |
| 70 | N | 98.9 | Very high | 98.2 | Very high | 48 Ų | 48 | 47.7 Ų | 47.7 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -67.4 | -38.1 | -171.9 | -77 | -43.5 | 0 | 0 | 0 | 113.3 | H7 A8 V66 E67 | H7-N70 WeakPolarHBondContact CA-OD1 3.28Å; H7-N70 PolarHBondContact ND1-OD1 2.7Å; H7-N70 VanDerWaalsContact ND1-OD1 3.12Å; A8-N70 PolarHBondContact N-OD1 3.33Å; A8-N70 PolarHBondContact O-ND2 3.4Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.44Å; V66-N70 WeakPolarHBondContact O-CB 2.82Å; V66-N70 PolarHBondContact O-N 3.5Å; V66-N70 PolarHBondContact O-ND2 3.36Å; V66-N70 VanDerWaalsContact O-ND2 3.13Å; E67-N70 PolarHBondContact O-N 3.14Å |
| 71 | K | 98.7 | Very high | 98 | Very high | 141 Ų | 141 | 51.2 Ų | 51.2 | 61% | 0.613 | 27% | 0.267 | S | S | * | . | I | π-helix | trans | -99.3 | -18.5 | -172.7 | -62.2 | -169.1 | -174.7 | 171.6 | 0 | 114.2 | E67 I69 | E67-K71 HydrophobicContact CG-CD 3.63Å; E67-K71 HydrophobicContact CG-CG 4.04Å; E67-K71 WeakPolarHBondContact O-CB 3.33Å; E67-K71 PolarHBondContact O-N 3.3Å; E67-K71 WeakPolarHBondContact OE1-CD 3.41Å; E67-K71 WeakPolarHBondContact OE1-CE 3.35Å; E67-K71 IonicContact OE1-NZ 3.63Å; E67-K71 PolarHBondContact OE1-NZ 3.01Å; I69-K71 PolarHBondContact O-N 3.09Å |
| 72 | T | 98.6 | Very high | 97.8 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 36% | 0.362 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -124.2 | -57.6 | -174.4 | -49.8 | 0 | 0 | 0 | 0 | 112.6 | H68 A76 M97 F106 | H68-T72 WeakPolarHBondContact O-CA 3.1Å; H68-T72 VanDerWaalsContact O-CB 3.27Å; H68-T72 WeakPolarHBondContact O-CB 3.38Å; H68-T72 PolarHBondContact O-N 3.43Å; T72-A76 WeakPolarHBondContact O-CB 3.27Å; T72-A76 PolarHBondContact O-N 2.93Å; T72-M97 HydrophobicContact CG2-CE 4.12Å; T72-F106 HydrophobicContact CG2-CE1 4.03Å; T72-F106 HydrophobicContact CG2-CZ 3.88Å |
| 73 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -69.2 | -46.6 | -175.9 | -59.6 | 171.6 | 0 | 0 | 0 | 110.6 | H68 I69 A76 L77 M94 F106 A110 V114 | H68-I73 PolarHBondContact O-N 3.24Å; I69-I73 HydrophobicContact CG1-CD1 4.26Å; I69-I73 PolarHBondContact O-N 2.88Å; I73-A76 PolarHBondContact O-N 3.42Å; I73-L77 HydrophobicContact CG2-CD1 3.75Å; I73-L77 HydrophobicContact CG2-CG 4.04Å; I73-L77 WeakPolarHBondContact O-CG 3.48Å; I73-L77 PolarHBondContact O-N 2.98Å; I73-M94 HydrophobicContact CG2-CG 4.06Å; I73-M94 HydrophobicContact CG2-SD 3.84Å; I73-F106 HydrophobicContact CD1-CD2 4.03Å; I73-F106 HydrophobicContact CD1-CG 4.41Å; I73-F106 HydrophobicContact CG1-CD2 4.19Å; I73-F106 HydrophobicContact CG1-CE2 4.22Å; I73-A110 HydrophobicContact CD1-CB 4.34Å; I73-V114 HydrophobicContact CG2-CG1 4.38Å; I73-V114 HydrophobicContact CG2-CG2 4.19Å |
| 74 | A | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -51.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | V6 I69 A76 L77 V78 | V6-A74 HydrophobicContact CB-CB 3.66Å; V6-A74 HydrophobicContact CG1-CB 4.24Å; I69-A74 WeakPolarHBondContact O-CB 3.36Å; I69-A74 PolarHBondContact O-N 3.35Å; A74-A76 VanDerWaalsContact C-N 3.31Å; A74-A76 PolarHBondContact O-N 3.36Å; A74-L77 PolarHBondContact O-N 3.33Å; A74-V78 WeakPolarHBondContact O-CG2 3.34Å; A74-V78 PolarHBondContact O-N 3.45Å; A74-V78 VanDerWaalsContact O-N 3.1Å |
| 75 | P | 98.3 | Very high | 97.6 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 176.1 | -24.1 | 35 | 0 | 0 | 0 | 113 | S79 | P75-S79 VanDerWaalsContact O-CB 3.31Å; P75-S79 WeakPolarHBondContact O-CB 3.17Å; P75-S79 PolarHBondContact O-N 3.26Å; P75-S79 PolarHBondContact O-OG 3.49Å |
| 76 | A | 97.9 | Very high | 97.5 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T72 I73 A74 V78 S79 K80 M97 | T72-A76 WeakPolarHBondContact O-CB 3.27Å; T72-A76 PolarHBondContact O-N 2.93Å; I73-A76 PolarHBondContact O-N 3.42Å; A74-A76 VanDerWaalsContact C-N 3.31Å; A74-A76 PolarHBondContact O-N 3.36Å; A76-V78 PolarHBondContact O-N 2.61Å; A76-S79 PolarHBondContact O-N 3.09Å; A76-S79 PolarHBondContact O-OG 2.88Å; A76-K80 VanDerWaalsContact O-CG 3.26Å; A76-K80 WeakPolarHBondContact O-CG 3.43Å; A76-K80 PolarHBondContact O-N 3.39Å; A76-M97 HydrophobicContact CB-CE 3.46Å; A76-M97 VanDerWaalsContact CB-CE 3.46Å; A76-M97 HydrophobicContact CB-SD 3.64Å |
| 77 | L | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | -179.8 | -68.4 | -175.9 | 0 | 0 | 0 | 112.8 | I3 I73 A74 K80 K81 I90 L93 M94 V114 | I3-L77 HydrophobicContact CD1-CB 4.05Å; I3-L77 HydrophobicContact CD1-CD1 4.28Å; I73-L77 HydrophobicContact CG2-CD1 3.75Å; I73-L77 HydrophobicContact CG2-CG 4.04Å; I73-L77 WeakPolarHBondContact O-CG 3.48Å; I73-L77 PolarHBondContact O-N 2.98Å; A74-L77 PolarHBondContact O-N 3.33Å; L77-K80 PolarHBondContact O-N 3Å; L77-K81 PolarHBondContact O-N 3.2Å; L77-I90 HydrophobicContact CD1-CG2 4.37Å; L77-I90 HydrophobicContact CD2-CG2 3.94Å; L77-L93 HydrophobicContact CD2-CD2 3.77Å; L77-M94 HydrophobicContact CD1-SD 4.21Å; L77-M94 HydrophobicContact CD2-CG 4.4Å; L77-V114 HydrophobicContact CD1-CG1 3.44Å; L77-V114 VanDerWaalsContact CD1-CG1 3.44Å |
| 78 | V | 97.3 | Very high | 97.5 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.5 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | I3 A74 A76 K81 | I3-V78 HydrophobicContact CG2-CG2 4.17Å; A74-V78 WeakPolarHBondContact O-CG2 3.34Å; A74-V78 PolarHBondContact O-N 3.45Å; A74-V78 VanDerWaalsContact O-N 3.1Å; A76-V78 PolarHBondContact O-N 2.61Å; V78-K81 PolarHBondContact O-N 2.88Å |
| 79 | S | 96.9 | Very high | 97.5 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 57% | 0.573 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.3 | -34.7 | -179.4 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | P75 A76 K81 | P75-S79 VanDerWaalsContact O-CB 3.31Å; P75-S79 WeakPolarHBondContact O-CB 3.17Å; P75-S79 PolarHBondContact O-N 3.26Å; P75-S79 PolarHBondContact O-OG 3.49Å; A76-S79 PolarHBondContact O-N 3.09Å; A76-S79 PolarHBondContact O-OG 2.88Å; S79-K81 VanDerWaalsContact C-N 3.29Å; S79-K81 PolarHBondContact O-N 3.14Å |
| 80 | K | 94.9 | Very high | 97.5 | Very high | 131 Ų | 131 | 56.5 Ų | 56.5 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -73.3 | -19.5 | -179.7 | -68.7 | -73.6 | -174.5 | -179.8 | 0 | 113.5 | A76 L77 L82 L93 | A76-K80 VanDerWaalsContact O-CG 3.26Å; A76-K80 WeakPolarHBondContact O-CG 3.43Å; A76-K80 PolarHBondContact O-N 3.39Å; L77-K80 PolarHBondContact O-N 3Å; K80-L82 HydrophobicContact CB-CD1 4.45Å; K80-L82 HydrophobicContact CB-CG 4.05Å; K80-L82 PolarHBondContact O-N 3.42Å; K80-L82 VanDerWaalsContact O-N 3.14Å; K80-L93 HydrophobicContact CB-CD2 4.32Å; K80-L93 HydrophobicContact CG-CD2 3.83Å |
| 81 | K | 93.1 | Very high | 97.5 | Very high | 158 Ų | 158 | 54.2 Ų | 54.2 | 69% | 0.687 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 32 | 178.8 | -58.6 | -178.7 | 180 | -179.6 | 0 | 113.8 | L77 V78 S79 | L77-K81 PolarHBondContact O-N 3.2Å; V78-K81 PolarHBondContact O-N 2.88Å; S79-K81 VanDerWaalsContact C-N 3.29Å; S79-K81 PolarHBondContact O-N 3.14Å |
| 82 | L | 94.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | trans | -63 | 148.3 | 175.5 | -64.7 | 175.8 | 0 | 0 | 0 | 110.6 | K80 I90 L93 | K80-L82 HydrophobicContact CB-CD1 4.45Å; K80-L82 HydrophobicContact CB-CG 4.05Å; K80-L82 PolarHBondContact O-N 3.42Å; K80-L82 VanDerWaalsContact O-N 3.14Å; L82-I90 HydrophobicContact CB-CD1 4.24Å; L82-I90 HydrophobicContact CB-CG1 3.86Å; L82-I90 HydrophobicContact CD1-CG1 3.75Å; L82-I90 HydrophobicContact CG-CG1 4.47Å; L82-L93 HydrophobicContact CD1-CD2 3.86Å | ||
| 83 | N | 96.3 | Very high | 97.5 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 25% | 0.251 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -77.6 | 132.8 | 175.8 | -174.3 | -17.8 | 0 | 0 | 0 | 109.8 | M1 T85 E86 I90 | M1-N83 PolarHBondContact N-ND2 3.44Å; M1-N83 PolarHBondContact N-OD1 3.43Å; M1-N83 WeakPolarHBondContact O-CA 3.4Å; M1-N83 PolarHBondContact O-OD1 3.47Å; N83-T85 PolarHBondContact ND2-OG1 2.91Å; N83-T85 PolarHBondContact O-N 3.39Å; N83-T85 PolarHBondContact OD1-N 2.8Å; N83-T85 VanDerWaalsContact OD1-N 3.08Å; N83-T85 PolarHBondContact OD1-OG1 2.76Å; N83-E86 HydrophobicContact CB-CG 4.03Å; N83-E86 WeakPolarHBondContact CB-OE2 3.48Å; N83-E86 PolarHBondContact N-OE2 3.4Å; N83-E86 VanDerWaalsContact O-CB 3.31Å; N83-E86 WeakPolarHBondContact O-CB 3.27Å; N83-E86 PolarHBondContact O-N 2.71Å; N83-I90 WeakPolarHBondContact O-CD1 3.43Å |
| 84 | V | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.4 | 177.1 | -66.3 | 0 | 0 | 0 | 0 | 114.1 | M1 I3 L24 T26 E86 A121 E125 | M1-V84 PolarHBondContact O-N 3.03Å; M1-V84 VanDerWaalsContact O-N 3.09Å; I3-V84 HydrophobicContact CD1-CG1 4.37Å; I3-V84 HydrophobicContact CG1-CG1 3.61Å; L24-V84 HydrophobicContact CD2-CG1 4.17Å; T26-V84 HydrophobicContact CG2-CG1 3.9Å; V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 2.81Å; V84-A121 HydrophobicContact CB-CB 3.98Å; V84-A121 HydrophobicContact CG1-CB 4Å; V84-A121 HydrophobicContact CG2-CB 4.12Å; V84-E125 HydrophobicContact CG2-CB 3.86Å; V84-E125 HydrophobicContact CG2-CG 4.15Å |
| 85 | T | 98 | Very high | 97.5 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.5 | 172.2 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | N83 Q87 E125 K126 | N83-T85 PolarHBondContact ND2-OG1 2.91Å; N83-T85 PolarHBondContact O-N 3.39Å; N83-T85 PolarHBondContact OD1-N 2.8Å; N83-T85 VanDerWaalsContact OD1-N 3.08Å; N83-T85 PolarHBondContact OD1-OG1 2.76Å; T85-Q87 VanDerWaalsContact C-N 3.32Å; T85-Q87 PolarHBondContact O-N 3.06Å; T85-E125 HydrophobicContact CG2-CB 4.01Å; T85-E125 HydrophobicContact CG2-CG 3.64Å; T85-K126 HydrophobicContact CG2-CG 3.91Å |
| 86 | E | 98.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 56 Ų | 56 | 27% | 0.271 | 28% | 0.276 | S | S | . | . | trans | -93.6 | 56 | -179.5 | -59.7 | 177.7 | 109.5 | 0 | 0 | 110.9 | N83 V84 E88 K89 I90 | N83-E86 HydrophobicContact CB-CG 4.03Å; N83-E86 WeakPolarHBondContact CB-OE2 3.48Å; N83-E86 PolarHBondContact N-OE2 3.4Å; N83-E86 VanDerWaalsContact O-CB 3.31Å; N83-E86 WeakPolarHBondContact O-CB 3.27Å; N83-E86 PolarHBondContact O-N 2.71Å; V84-E86 VanDerWaalsContact C-N 3.26Å; V84-E86 PolarHBondContact O-N 2.81Å; E86-E88 VanDerWaalsContact C-N 3.28Å; E86-E88 PolarHBondContact O-N 3.47Å; E86-K89 HydrophobicContact CB-CB 4.1Å; E86-K89 HydrophobicContact CB-CD 4.15Å; E86-K89 HydrophobicContact CB-CG 4.26Å; E86-K89 HydrophobicContact CG-CD 4.4Å; E86-K89 PolarHBondContact O-N 3.12Å; E86-K89 WeakPolarHBondContact OE1-CD 3.26Å; E86-K89 WeakPolarHBondContact OE1-CE 3.2Å; E86-K89 IonicContact OE1-NZ 2.99Å; E86-K89 PolarHBondContact OE1-NZ 3.33Å; E86-I90 PolarHBondContact O-N 3.12Å; E86-I90 VanDerWaalsContact O-N 3.09Å | ||
| 87 | Q | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -46.2 | -50.4 | -176.5 | -174.2 | 69 | 46.7 | 0 | 0 | 112.4 | T85 K89 I90 D91 S115 C119 L137 V350 | T85-Q87 VanDerWaalsContact C-N 3.32Å; T85-Q87 PolarHBondContact O-N 3.06Å; Q87-K89 PolarHBondContact O-N 3.13Å; Q87-I90 PolarHBondContact O-N 3.1Å; Q87-D91 PolarHBondContact NE2-OD1 3Å; Q87-D91 PolarHBondContact NE2-OD2 2.8Å; Q87-D91 WeakPolarHBondContact O-CB 3.31Å; Q87-D91 PolarHBondContact O-N 3.42Å; Q87-S115 PolarHBondContact NE2-O 3.46Å; Q87-S115 PolarHBondContact NE2-OG 2.75Å; Q87-S115 VanDerWaalsContact NE2-OG 3.17Å; Q87-C119 VanDerWaalsContact OE1-N 3.17Å; Q87-L137 HydrophobicContact CB-CD1 3.98Å; Q87-L137 HydrophobicContact CB-CD2 4.02Å; Q87-L137 HydrophobicContact CG-CD1 4.13Å; Q87-V350 HydrophobicContact CG-CB 4.35Å; Q87-V350 HydrophobicContact CG-CG1 4.26Å |
| 88 | E | 98.6 | Very high | 97.6 | Very high | 125 Ų | 125 | 57.3 Ų | 57.3 | 58% | 0.584 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -60.4 | -41.4 | -179.2 | -179.2 | 178.4 | -177.7 | 0 | 0 | 112.6 | E86 K92 T351 | E86-E88 VanDerWaalsContact C-N 3.28Å; E86-E88 PolarHBondContact O-N 3.47Å; E88-K92 WeakPolarHBondContact O-CB 3.46Å; E88-K92 PolarHBondContact O-N 3.5Å; E88-T351 WeakPolarHBondContact CA-OG1 3.38Å; E88-T351 HydrophobicContact CB-CG2 4.23Å; E88-T351 HydrophobicContact CG-CG2 4.07Å |
| 89 | K | 98.4 | Very high | 97.7 | Very high | 118 Ų | 118 | 58 Ų | 58 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 179.9 | -65.3 | -173.3 | -174.5 | 171.6 | 0 | 111.6 | E86 Q87 L93 | E86-K89 HydrophobicContact CB-CB 4.1Å; E86-K89 HydrophobicContact CB-CD 4.15Å; E86-K89 HydrophobicContact CB-CG 4.26Å; E86-K89 HydrophobicContact CG-CD 4.4Å; E86-K89 PolarHBondContact O-N 3.12Å; E86-K89 WeakPolarHBondContact OE1-CD 3.26Å; E86-K89 WeakPolarHBondContact OE1-CE 3.2Å; E86-K89 IonicContact OE1-NZ 2.99Å; E86-K89 PolarHBondContact OE1-NZ 3.33Å; Q87-K89 PolarHBondContact O-N 3.13Å; K89-L93 WeakPolarHBondContact O-CB 3.32Å; K89-L93 PolarHBondContact O-N 3.49Å |
| 90 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.7 | -46.8 | 179.5 | -67.9 | 166.6 | 0 | 0 | 0 | 110.5 | I3 L77 L82 N83 E86 Q87 L93 M94 V118 | I3-I90 HydrophobicContact CD1-CD1 4.29Å; L77-I90 HydrophobicContact CD1-CG2 4.37Å; L77-I90 HydrophobicContact CD2-CG2 3.94Å; L82-I90 HydrophobicContact CB-CD1 4.24Å; L82-I90 HydrophobicContact CB-CG1 3.86Å; L82-I90 HydrophobicContact CD1-CG1 3.75Å; L82-I90 HydrophobicContact CG-CG1 4.47Å; N83-I90 WeakPolarHBondContact O-CD1 3.43Å; E86-I90 PolarHBondContact O-N 3.12Å; E86-I90 VanDerWaalsContact O-N 3.09Å; Q87-I90 PolarHBondContact O-N 3.1Å; I90-L93 PolarHBondContact O-N 3.16Å; I90-M94 HydrophobicContact CG2-CE 4.11Å; I90-M94 WeakPolarHBondContact O-CG 3.49Å; I90-M94 PolarHBondContact O-N 2.91Å; I90-M94 VanDerWaalsContact O-N 3.09Å; I90-V118 HydrophobicContact CB-CG1 4.38Å; I90-V118 HydrophobicContact CD1-CG1 3.53Å; I90-V118 HydrophobicContact CD1-CG2 4.38Å; I90-V118 HydrophobicContact CG2-CG1 4.26Å; I90-V118 HydrophobicContact CG2-CG2 3.9Å |
| 91 | D | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 176.5 | -73.5 | -20.4 | 0 | 0 | 0 | 111.1 | Q87 L93 M94 I95 S115 T351 | Q87-D91 PolarHBondContact NE2-OD1 3Å; Q87-D91 PolarHBondContact NE2-OD2 2.8Å; Q87-D91 WeakPolarHBondContact O-CB 3.31Å; Q87-D91 PolarHBondContact O-N 3.42Å; D91-L93 VanDerWaalsContact C-N 3.33Å; D91-L93 PolarHBondContact O-N 3.16Å; D91-M94 PolarHBondContact O-N 3.02Å; D91-M94 VanDerWaalsContact O-N 3.14Å; D91-M94 WeakPolarHBondContact OD1-CE 3.42Å; D91-I95 WeakPolarHBondContact O-CD1 3.43Å; D91-I95 VanDerWaalsContact O-CG1 3.25Å; D91-I95 WeakPolarHBondContact O-CG1 3.22Å; D91-I95 PolarHBondContact O-N 3.44Å; D91-S115 WeakPolarHBondContact OD1-CB 3.36Å; D91-S115 PolarHBondContact OD1-OG 3.31Å; D91-S115 PolarHBondContact OD2-OG 3.01Å; D91-T351 WeakPolarHBondContact OD2-CB 3.48Å; D91-T351 PolarHBondContact OD2-N 2.82Å; D91-T351 PolarHBondContact OD2-OG1 3.3Å |
| 92 | K | 98.6 | Very high | 97.8 | Very high | 122 Ų | 122 | 52.7 Ų | 52.7 | 53% | 0.53 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 176.7 | -180 | 171.7 | 176 | 173 | 0 | 112.2 | E88 M94 I95 E96 | E88-K92 WeakPolarHBondContact O-CB 3.46Å; E88-K92 PolarHBondContact O-N 3.5Å; K92-M94 PolarHBondContact O-N 3.4Å; K92-I95 PolarHBondContact O-N 2.89Å; K92-E96 WeakPolarHBondContact CE-OE1 3.49Å; K92-E96 HydrophobicContact CG-CG 4.35Å; K92-E96 WeakPolarHBondContact CG-OE1 3.4Å; K92-E96 IonicContact NZ-OE1 3.84Å; K92-E96 WeakPolarHBondContact O-CB 3.34Å; K92-E96 VanDerWaalsContact O-CG 3.29Å; K92-E96 WeakPolarHBondContact O-CG 3.41Å; K92-E96 PolarHBondContact O-N 2.98Å |
| 93 | L | 98.6 | Very high | 98 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 176.3 | 172.9 | 63.3 | 0 | 0 | 0 | 111.8 | L77 K80 L82 K89 I90 D91 E96 M97 | L77-L93 HydrophobicContact CD2-CD2 3.77Å; K80-L93 HydrophobicContact CB-CD2 4.32Å; K80-L93 HydrophobicContact CG-CD2 3.83Å; L82-L93 HydrophobicContact CD1-CD2 3.86Å; K89-L93 WeakPolarHBondContact O-CB 3.32Å; K89-L93 PolarHBondContact O-N 3.49Å; I90-L93 PolarHBondContact O-N 3.16Å; D91-L93 VanDerWaalsContact C-N 3.33Å; D91-L93 PolarHBondContact O-N 3.16Å; L93-E96 PolarHBondContact O-N 3.48Å; L93-M97 HydrophobicContact CD1-CG 4.1Å; L93-M97 HydrophobicContact CD1-SD 3.96Å; L93-M97 HydrophobicContact CG-SD 3.96Å; L93-M97 WeakPolarHBondContact O-CB 3.41Å; L93-M97 WeakPolarHBondContact O-CG 3.28Å; L93-M97 PolarHBondContact O-N 3.22Å |
| 94 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 179.1 | -66.9 | -173.1 | -65.1 | 0 | 0 | 112.1 | I73 L77 I90 D91 K92 M97 D98 I111 V114 | I73-M94 HydrophobicContact CG2-CG 4.06Å; I73-M94 HydrophobicContact CG2-SD 3.84Å; L77-M94 HydrophobicContact CD1-SD 4.21Å; L77-M94 HydrophobicContact CD2-CG 4.4Å; I90-M94 HydrophobicContact CG2-CE 4.11Å; I90-M94 WeakPolarHBondContact O-CG 3.49Å; I90-M94 PolarHBondContact O-N 2.91Å; I90-M94 VanDerWaalsContact O-N 3.09Å; D91-M94 PolarHBondContact O-N 3.02Å; D91-M94 VanDerWaalsContact O-N 3.14Å; D91-M94 WeakPolarHBondContact OD1-CE 3.42Å; K92-M94 PolarHBondContact O-N 3.4Å; M94-M97 PolarHBondContact O-N 2.81Å; M94-D98 PolarHBondContact O-N 3.38Å; M94-I111 HydrophobicContact CB-CG1 4.49Å; M94-I111 HydrophobicContact CB-CG2 3.99Å; M94-I111 HydrophobicContact CE-CG2 4.01Å; M94-I111 HydrophobicContact SD-CG2 4.4Å; M94-V114 HydrophobicContact CE-CB 4.36Å; M94-V114 HydrophobicContact CE-CG1 4.31Å; M94-V114 HydrophobicContact SD-CB 3.71Å; M94-V114 HydrophobicContact SD-CG1 3.58Å; M94-V114 VanDerWaalsContact SD-CG1 3.58Å; M94-V114 HydrophobicContact SD-CG2 4.49Å |
| 95 | I | 98.7 | Very high | 98.1 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.4 | -66.8 | 161.9 | 0 | 0 | 0 | 110.8 | D91 K92 M97 D98 G99 E352 | D91-I95 WeakPolarHBondContact O-CD1 3.43Å; D91-I95 VanDerWaalsContact O-CG1 3.25Å; D91-I95 WeakPolarHBondContact O-CG1 3.22Å; D91-I95 PolarHBondContact O-N 3.44Å; K92-I95 PolarHBondContact O-N 2.89Å; I95-M97 VanDerWaalsContact C-N 3.35Å; I95-M97 PolarHBondContact O-N 3.48Å; I95-D98 PolarHBondContact O-N 3.17Å; I95-G99 PolarHBondContact O-N 2.95Å; I95-E352 HydrophobicContact CD1-CG 4.19Å; I95-E352 VanDerWaalsContact CD1-OE2 3.28Å; I95-E352 WeakPolarHBondContact CD1-OE2 3.4Å |
| 96 | E | 98.6 | Very high | 98.1 | Very high | 122 Ų | 122 | 54.9 Ų | 54.9 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.1 | -37.2 | 176.7 | -74 | 173.5 | 177.7 | 0 | 0 | 112.4 | K92 L93 G99 | K92-E96 WeakPolarHBondContact CE-OE1 3.49Å; K92-E96 HydrophobicContact CG-CG 4.35Å; K92-E96 WeakPolarHBondContact CG-OE1 3.4Å; K92-E96 IonicContact NZ-OE1 3.84Å; K92-E96 WeakPolarHBondContact O-CB 3.34Å; K92-E96 VanDerWaalsContact O-CG 3.29Å; K92-E96 WeakPolarHBondContact O-CG 3.41Å; K92-E96 PolarHBondContact O-N 2.98Å; L93-E96 PolarHBondContact O-N 3.48Å; E96-G99 PolarHBondContact O-N 3.42Å |
| 97 | M | 98.6 | Very high | 98.1 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -35.4 | 176.4 | -75.1 | 174.4 | 55.3 | 0 | 0 | 112.9 | T72 A76 L93 M94 I95 K105 F106 | T72-M97 HydrophobicContact CG2-CE 4.12Å; A76-M97 HydrophobicContact CB-CE 3.46Å; A76-M97 VanDerWaalsContact CB-CE 3.46Å; A76-M97 HydrophobicContact CB-SD 3.64Å; L93-M97 HydrophobicContact CD1-CG 4.1Å; L93-M97 HydrophobicContact CD1-SD 3.96Å; L93-M97 HydrophobicContact CG-SD 3.96Å; L93-M97 WeakPolarHBondContact O-CB 3.41Å; L93-M97 WeakPolarHBondContact O-CG 3.28Å; L93-M97 PolarHBondContact O-N 3.22Å; M94-M97 PolarHBondContact O-N 2.81Å; I95-M97 VanDerWaalsContact C-N 3.35Å; I95-M97 PolarHBondContact O-N 3.48Å; M97-K105 PolarHBondContact O-NZ 2.8Å; M97-F106 VanDerWaalsContact C-CE2 3.48Å; M97-F106 HydrophobicContact CB-CE2 3.7Å; M97-F106 HydrophobicContact CB-CZ 4.12Å; M97-F106 HydrophobicContact CE-CE2 4.47Å; M97-F106 HydrophobicContact CE-CZ 4.49Å; M97-F106 WeakPolarHBondContact O-CZ 3.47Å |
| 98 | D | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -51.9 | 170.9 | 179.7 | -80.1 | 0 | 0 | 0 | 109.7 | M94 I95 T100 K103 K105 F106 I111 | M94-D98 PolarHBondContact O-N 3.38Å; I95-D98 PolarHBondContact O-N 3.17Å; D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 3.13Å; D98-T100 WeakPolarHBondContact OD1-CB 3.01Å; D98-T100 PolarHBondContact OD1-N 2.9Å; D98-T100 PolarHBondContact OD1-OG1 3.25Å; D98-K103 WeakPolarHBondContact OD1-CA 3.36Å; D98-K105 WeakPolarHBondContact O-CD 3.39Å; D98-K105 WeakPolarHBondContact OD2-CB 3.29Å; D98-K105 PolarHBondContact OD2-N 2.99Å; D98-F106 HydrophobicContact CB-CD2 3.67Å; D98-F106 HydrophobicContact CB-CE2 4.02Å; D98-F106 HydrophobicContact CB-CG 4.32Å; D98-F106 VanDerWaalsContact N-CE2 3.33Å; D98-F106 PolarHBondContact OD2-N 3.48Å; D98-I111 HydrophobicContact CB-CD1 3.87Å |
| 99 | G | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 46.3 Ų | 46.3 | 65% | 0.649 | 24% | 0.241 | S | C | * | . | trans | 74.2 | 9.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I95 E96 | I95-G99 PolarHBondContact O-N 2.95Å; E96-G99 PolarHBondContact O-N 3.42Å | ||
| 100 | T | 98.2 | Very high | 98.1 | Very high | 46 Ų | 46 | 40.7 Ų | 40.7 | 28% | 0.282 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -113.4 | 154.5 | 177 | 75.1 | 0 | 0 | 0 | 0 | 111.4 | D98 N102 K103 S104 K105 | D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 3.13Å; D98-T100 WeakPolarHBondContact OD1-CB 3.01Å; D98-T100 PolarHBondContact OD1-N 2.9Å; D98-T100 PolarHBondContact OD1-OG1 3.25Å; T100-N102 PolarHBondContact O-N 3.03Å; T100-K103 VanDerWaalsContact OG1-CA 3.31Å; T100-K103 WeakPolarHBondContact OG1-CA 3.26Å; T100-K103 PolarHBondContact OG1-N 3.04Å; T100-K103 VanDerWaalsContact OG1-N 3.09Å; T100-S104 PolarHBondContact OG1-N 2.85Å; T100-S104 PolarHBondContact OG1-OG 3.4Å; T100-K105 HydrophobicContact CG2-CB 3.96Å |
| 101 | E | 94.6 | Very high | 98.1 | Very high | 146 Ų | 146 | 40.7 Ų | 40.7 | 68% | 0.682 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -38.2 | -178.7 | -179.7 | 168.8 | -161.7 | 0 | 0 | 112.9 | K326 | E101-K326 IonicContact OE1-NZ 2.71Å; E101-K326 PolarHBondContact OE1-NZ 2.62Å |
| 102 | N | 94.9 | Very high | 98.1 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 18.8 | -174.9 | 67.5 | -20.2 | 0 | 0 | 0 | 113.3 | L47 T100 S104 | L47-N102 PolarHBondContact N-O 2.87Å; T100-N102 PolarHBondContact O-N 3.03Å; N102-S104 PolarHBondContact O-N 3Å; N102-S104 WeakPolarHBondContact OD1-CB 3.36Å; N102-S104 PolarHBondContact OD1-OG 3.47Å |
| 103 | K | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | trans | 58.7 | 31.4 | 179.5 | -58.3 | 173.4 | 172.8 | 69.7 | 0 | 113.4 | A46 D98 T100 K105 G107 A108 I111 I347 E352 | A46-K103 HydrophobicContact CB-CD 4.35Å; D98-K103 WeakPolarHBondContact OD1-CA 3.36Å; T100-K103 VanDerWaalsContact OG1-CA 3.31Å; T100-K103 WeakPolarHBondContact OG1-CA 3.26Å; T100-K103 PolarHBondContact OG1-N 3.04Å; T100-K103 VanDerWaalsContact OG1-N 3.09Å; K103-K105 VanDerWaalsContact C-N 3.35Å; K103-K105 PolarHBondContact O-N 3.2Å; K103-G107 CarbonylContact O-C 3.44Å; K103-G107 WeakPolarHBondContact O-CA 3.44Å; K103-G107 PolarHBondContact O-N 3.45Å; K103-A108 HydrophobicContact CB-CB 4.21Å; K103-A108 HydrophobicContact CD-CB 4.18Å; K103-A108 PolarHBondContact O-N 3.05Å; K103-I111 HydrophobicContact CB-CD1 4Å; K103-I111 HydrophobicContact CD-CD1 3.92Å; K103-I111 HydrophobicContact CG-CD1 3.83Å; K103-I347 WeakPolarHBondContact CD-O 3.31Å; K103-I347 WeakPolarHBondContact CE-O 3.48Å; K103-I347 PolarHBondContact NZ-O 3.23Å; K103-E352 WeakPolarHBondContact CE-OE2 3.37Å; K103-E352 IonicContact NZ-OE1 3.43Å; K103-E352 PolarHBondContact NZ-OE1 2.89Å; K103-E352 IonicContact NZ-OE2 3.6Å; K103-E352 PolarHBondContact NZ-OE2 2.94Å | ||
| 104 | S | 97.7 | Very high | 98.2 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 32% | 0.315 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.6 | -172.6 | 50.1 | 0 | 0 | 0 | 0 | 114.8 | T100 N102 | T100-S104 PolarHBondContact OG1-N 2.85Å; T100-S104 PolarHBondContact OG1-OG 3.4Å; N102-S104 PolarHBondContact O-N 3Å; N102-S104 WeakPolarHBondContact OD1-CB 3.36Å; N102-S104 PolarHBondContact OD1-OG 3.47Å |
| 105 | K | 98.1 | Very high | 98.2 | Very high | 112 Ų | 112 | 33.8 Ų | 33.8 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -47.8 | 178 | -179.4 | -172.6 | 177.3 | -173.4 | 0 | 111.7 | H68 M97 D98 T100 K103 | H68-K105 PolarHBondContact NE2-O 2.82Å; M97-K105 PolarHBondContact O-NZ 2.8Å; D98-K105 WeakPolarHBondContact O-CD 3.39Å; D98-K105 WeakPolarHBondContact OD2-CB 3.29Å; D98-K105 PolarHBondContact OD2-N 2.99Å; T100-K105 HydrophobicContact CG2-CB 3.96Å; K103-K105 VanDerWaalsContact C-N 3.35Å; K103-K105 PolarHBondContact O-N 3.2Å |
| 106 | F | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -24.6 | 178.8 | -61.9 | -28.7 | 0 | 0 | 0 | 113.1 | L49 H68 T72 I73 M97 D98 A110 I111 | L49-F106 WeakPolarHBondContact CD2-O 3.46Å; H68-F106 HydrophobicContact CB-CB 4.33Å; H68-F106 HydrophobicContact CB-CD1 4.08Å; H68-F106 HydrophobicContact CB-CG 4.44Å; H68-F106 AromaticContact CG-CD1 3.89Å; H68-F106 AromaticContact ND1-CD1 3.82Å; T72-F106 HydrophobicContact CG2-CE1 4.03Å; T72-F106 HydrophobicContact CG2-CZ 3.88Å; I73-F106 HydrophobicContact CD1-CD2 4.03Å; I73-F106 HydrophobicContact CD1-CG 4.41Å; I73-F106 HydrophobicContact CG1-CD2 4.19Å; I73-F106 HydrophobicContact CG1-CE2 4.22Å; M97-F106 VanDerWaalsContact C-CE2 3.48Å; M97-F106 HydrophobicContact CB-CE2 3.7Å; M97-F106 HydrophobicContact CB-CZ 4.12Å; M97-F106 HydrophobicContact CE-CE2 4.47Å; M97-F106 HydrophobicContact CE-CZ 4.49Å; M97-F106 WeakPolarHBondContact O-CZ 3.47Å; D98-F106 HydrophobicContact CB-CD2 3.67Å; D98-F106 HydrophobicContact CB-CE2 4.02Å; D98-F106 HydrophobicContact CB-CG 4.32Å; D98-F106 VanDerWaalsContact N-CE2 3.33Å; D98-F106 PolarHBondContact OD2-N 3.48Å; F106-A110 HydrophobicContact CB-CB 4.19Å; F106-A110 WeakPolarHBondContact O-CB 3.4Å; F106-I111 HydrophobicContact CB-CG1 4.44Å; F106-I111 HydrophobicContact CD2-CD1 4.49Å; F106-I111 HydrophobicContact CD2-CG1 4.46Å |
| 107 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | 89.9 | 135.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L47 K103 N109 A110 I111 | L47-G107 CarbonylContact O-C 3.54Å; L47-G107 WeakPolarHBondContact O-CA 3.23Å; K103-G107 CarbonylContact O-C 3.44Å; K103-G107 WeakPolarHBondContact O-CA 3.44Å; K103-G107 PolarHBondContact O-N 3.45Å; G107-N109 WeakPolarHBondContact CA-OD1 3.24Å; G107-N109 PolarHBondContact O-N 3.07Å; G107-A110 WeakPolarHBondContact O-CB 3.46Å; G107-A110 PolarHBondContact O-N 2.93Å; G107-I111 PolarHBondContact O-N 3.07Å | ||
| 108 | A | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.1 | -34.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A46 L47 K103 A110 I111 L112 | A46-A108 HydrophobicContact CB-CB 3.59Å; L47-A108 WeakPolarHBondContact O-CB 3.49Å; L47-A108 PolarHBondContact O-N 2.97Å; K103-A108 HydrophobicContact CB-CB 4.21Å; K103-A108 HydrophobicContact CD-CB 4.18Å; K103-A108 PolarHBondContact O-N 3.05Å; A108-A110 VanDerWaalsContact C-N 3.28Å; A108-A110 PolarHBondContact O-N 3.1Å; A108-I111 PolarHBondContact O-N 2.89Å; A108-L112 WeakPolarHBondContact O-CB 3.48Å; A108-L112 PolarHBondContact O-N 3.37Å |
| 109 | N | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -29.5 | 173 | 55.5 | -21.5 | 0 | 0 | 0 | 113.3 | V20 V35 E48 L49 G107 G113 | V20-N109 HydrophobicContact CG2-CB 4.3Å; V35-N109 HydrophobicContact CG1-CB 3.9Å; V35-N109 WeakPolarHBondContact CG2-O 3.39Å; E48-N109 HydrophobicContact CG-CB 4.16Å; L49-N109 PolarHBondContact N-OD1 3.17Å; L49-N109 PolarHBondContact O-ND2 3.18Å; G107-N109 WeakPolarHBondContact CA-OD1 3.24Å; G107-N109 PolarHBondContact O-N 3.07Å; N109-G113 PolarHBondContact O-N 3.02Å |
| 110 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -72.3 | -48.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A65 I69 I73 F106 G107 A108 | A65-A110 HydrophobicContact CB-CB 4.28Å; I69-A110 HydrophobicContact CD1-CB 4.18Å; I69-A110 HydrophobicContact CG1-CB 3.8Å; I73-A110 HydrophobicContact CD1-CB 4.34Å; F106-A110 HydrophobicContact CB-CB 4.19Å; F106-A110 WeakPolarHBondContact O-CB 3.4Å; G107-A110 WeakPolarHBondContact O-CB 3.46Å; G107-A110 PolarHBondContact O-N 2.93Å; A108-A110 VanDerWaalsContact C-N 3.28Å; A108-A110 PolarHBondContact O-N 3.1Å |
| 111 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.4 | -44.8 | -177.8 | -63.2 | 174.9 | 0 | 0 | 0 | 110.6 | M94 D98 K103 F106 G107 A108 G113 V114 S115 G348 | M94-I111 HydrophobicContact CB-CG1 4.49Å; M94-I111 HydrophobicContact CB-CG2 3.99Å; M94-I111 HydrophobicContact CE-CG2 4.01Å; M94-I111 HydrophobicContact SD-CG2 4.4Å; D98-I111 HydrophobicContact CB-CD1 3.87Å; K103-I111 HydrophobicContact CB-CD1 4Å; K103-I111 HydrophobicContact CD-CD1 3.92Å; K103-I111 HydrophobicContact CG-CD1 3.83Å; F106-I111 HydrophobicContact CB-CG1 4.44Å; F106-I111 HydrophobicContact CD2-CD1 4.49Å; F106-I111 HydrophobicContact CD2-CG1 4.46Å; G107-I111 PolarHBondContact O-N 3.07Å; A108-I111 PolarHBondContact O-N 2.89Å; I111-G113 PolarHBondContact O-N 3.26Å; I111-V114 PolarHBondContact O-N 3.03Å; I111-S115 WeakPolarHBondContact O-CB 3.5Å; I111-S115 PolarHBondContact O-N 3.37Å; I111-G348 WeakPolarHBondContact CG2-O 3.48Å |
| 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 | -45.1 | -176.3 | -176.3 | 69.6 | 0 | 0 | 0 | 112.2 | V35 A108 V114 S115 L116 V344 N345 G348 | V35-L112 HydrophobicContact CG1-CD2 3.77Å; V35-L112 HydrophobicContact CG2-CB 4.33Å; V35-L112 HydrophobicContact CG2-CD2 4.27Å; V35-L112 HydrophobicContact CG2-CG 4.42Å; A108-L112 WeakPolarHBondContact O-CB 3.48Å; A108-L112 PolarHBondContact O-N 3.37Å; L112-V114 PolarHBondContact O-N 3Å; L112-S115 WeakPolarHBondContact O-CB 3.47Å; L112-S115 PolarHBondContact O-N 2.86Å; L112-S115 VanDerWaalsContact O-N 3.07Å; L112-L116 HydrophobicContact CD1-CD1 4.22Å; L112-L116 HydrophobicContact CD1-CD2 4.21Å; L112-L116 HydrophobicContact CD1-CG 4Å; L112-L116 HydrophobicContact CD2-CD1 4.24Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 HydrophobicContact CG-CG 4.02Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.35Å; L112-L116 PolarHBondContact O-N 3.25Å; L112-V344 HydrophobicContact CD1-CB 4.07Å; L112-V344 HydrophobicContact CD1-CG2 4.21Å; L112-V344 HydrophobicContact CD2-CG2 4.19Å; L112-N345 HydrophobicContact CD2-CB 3.43Å; L112-N345 VanDerWaalsContact CD2-CB 3.43Å; L112-G348 WeakPolarHBondContact CA-O 3.43Å; L112-G348 PolarHBondContact N-O 3.13Å |
| 113 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -56.9 | -41.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V35 N109 I111 A117 | V35-G113 VanDerWaalsContact CG2-CA 3.49Å; N109-G113 PolarHBondContact O-N 3.02Å; I111-G113 PolarHBondContact O-N 3.26Å; G113-A117 WeakPolarHBondContact O-CB 3.35Å; G113-A117 PolarHBondContact O-N 3.19Å |
| 114 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -69.3 | -45.4 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | V6 V22 I69 I73 L77 M94 I111 L112 L116 A117 V118 | V6-V114 HydrophobicContact CG1-CG2 4.27Å; V22-V114 HydrophobicContact CG1-CG2 4.09Å; V22-V114 HydrophobicContact CG2-CG2 4.22Å; I69-V114 HydrophobicContact CG1-CG2 4.26Å; I69-V114 HydrophobicContact CG2-CG2 3.73Å; I73-V114 HydrophobicContact CG2-CG1 4.38Å; I73-V114 HydrophobicContact CG2-CG2 4.19Å; L77-V114 HydrophobicContact CD1-CG1 3.44Å; L77-V114 VanDerWaalsContact CD1-CG1 3.44Å; M94-V114 HydrophobicContact CE-CB 4.36Å; M94-V114 HydrophobicContact CE-CG1 4.31Å; M94-V114 HydrophobicContact SD-CB 3.71Å; M94-V114 HydrophobicContact SD-CG1 3.58Å; M94-V114 VanDerWaalsContact SD-CG1 3.58Å; M94-V114 HydrophobicContact SD-CG2 4.49Å; I111-V114 PolarHBondContact O-N 3.03Å; L112-V114 PolarHBondContact O-N 3Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 2.92Å; V114-A117 PolarHBondContact O-N 3.43Å; V114-V118 HydrophobicContact CG1-CG2 4.22Å; V114-V118 WeakPolarHBondContact O-CB 3.45Å; V114-V118 VanDerWaalsContact O-CG2 3.22Å; V114-V118 WeakPolarHBondContact O-CG2 3.41Å; V114-V118 PolarHBondContact O-N 3.15Å |
| 115 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -55.4 | -44.4 | 179.2 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | Q87 D91 I111 L112 C119 V350 | Q87-S115 PolarHBondContact NE2-O 3.46Å; Q87-S115 PolarHBondContact NE2-OG 2.75Å; Q87-S115 VanDerWaalsContact NE2-OG 3.17Å; D91-S115 WeakPolarHBondContact OD1-CB 3.36Å; D91-S115 PolarHBondContact OD1-OG 3.31Å; D91-S115 PolarHBondContact OD2-OG 3.01Å; I111-S115 WeakPolarHBondContact O-CB 3.5Å; I111-S115 PolarHBondContact O-N 3.37Å; L112-S115 WeakPolarHBondContact O-CB 3.47Å; L112-S115 PolarHBondContact O-N 2.86Å; L112-S115 VanDerWaalsContact O-N 3.07Å; S115-C119 PolarHBondContact O-N 2.6Å; S115-C119 VanDerWaalsContact O-N 3.1Å; S115-V350 WeakPolarHBondContact OG-CG2 3.14Å; S115-V350 PolarHBondContact OG-N 2.78Å |
| 116 | L | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 12.6 Ų | 12.6 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.2 | -44.8 | 177.1 | -63.9 | 173 | 0 | 0 | 0 | 111.9 | A33 L112 V114 V118 C119 K120 V350 F380 | A33-L116 HydrophobicContact CB-CB 3.41Å; A33-L116 VanDerWaalsContact CB-CB 3.41Å; A33-L116 HydrophobicContact CB-CD1 4.32Å; L112-L116 HydrophobicContact CD1-CD1 4.22Å; L112-L116 HydrophobicContact CD1-CD2 4.21Å; L112-L116 HydrophobicContact CD1-CG 4Å; L112-L116 HydrophobicContact CD2-CD1 4.24Å; L112-L116 HydrophobicContact CG-CD1 3.8Å; L112-L116 HydrophobicContact CG-CG 4.02Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.35Å; L112-L116 PolarHBondContact O-N 3.25Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 2.92Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 3.39Å; L116-C119 WeakPolarHBondContact O-CB 3.22Å; L116-C119 PolarHBondContact O-N 3.13Å; L116-K120 WeakPolarHBondContact O-CG 3.34Å; L116-K120 PolarHBondContact O-N 2.56Å; L116-V350 HydrophobicContact CD2-CG2 3.69Å; L116-V350 HydrophobicContact CG-CG2 4.44Å; L116-F380 HydrophobicContact CB-CD2 4.43Å; L116-F380 HydrophobicContact CD2-CD1 3.45Å; L116-F380 VanDerWaalsContact CD2-CD1 3.45Å; L116-F380 HydrophobicContact CD2-CD2 3.73Å; L116-F380 HydrophobicContact CD2-CE1 3.38Å; L116-F380 HydrophobicContact CD2-CE2 3.68Å; L116-F380 HydrophobicContact CD2-CG 3.63Å; L116-F380 HydrophobicContact CD2-CZ 3.51Å |
| 117 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V22 L24 A33 G113 V114 K120 A121 | V22-A117 HydrophobicContact CG1-CB 4.26Å; L24-A117 HydrophobicContact CB-CB 3.85Å; A33-A117 HydrophobicContact CB-CB 4.12Å; G113-A117 WeakPolarHBondContact O-CB 3.35Å; G113-A117 PolarHBondContact O-N 3.19Å; V114-A117 PolarHBondContact O-N 3.43Å; A117-K120 PolarHBondContact O-N 3.32Å; A117-A121 WeakPolarHBondContact O-CB 3.34Å; A117-A121 PolarHBondContact O-N 3.48Å |
| 118 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 171.6 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | I3 L24 I90 V114 L116 K120 A121 G122 | I3-V118 HydrophobicContact CD1-CG2 4.39Å; L24-V118 HydrophobicContact CD1-CB 4.35Å; L24-V118 HydrophobicContact CD1-CG2 3.42Å; L24-V118 VanDerWaalsContact CD1-CG2 3.42Å; I90-V118 HydrophobicContact CB-CG1 4.38Å; I90-V118 HydrophobicContact CD1-CG1 3.53Å; I90-V118 HydrophobicContact CD1-CG2 4.38Å; I90-V118 HydrophobicContact CG2-CG1 4.26Å; I90-V118 HydrophobicContact CG2-CG2 3.9Å; V114-V118 HydrophobicContact CG1-CG2 4.22Å; V114-V118 WeakPolarHBondContact O-CB 3.45Å; V114-V118 VanDerWaalsContact O-CG2 3.22Å; V114-V118 WeakPolarHBondContact O-CG2 3.41Å; V114-V118 PolarHBondContact O-N 3.15Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 3.39Å; V118-K120 VanDerWaalsContact C-N 3.33Å; V118-K120 PolarHBondContact O-N 2.94Å; V118-A121 CarbonylContact O-C 3.45Å; V118-A121 WeakPolarHBondContact O-CB 3.31Å; V118-A121 PolarHBondContact O-N 2.93Å; V118-A121 VanDerWaalsContact O-N 3.14Å; V118-G122 PolarHBondContact O-N 3.4Å |
| 119 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -42.5 | 179.7 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | Q87 S115 L116 A121 G122 A123 H133 V350 F380 | Q87-C119 VanDerWaalsContact OE1-N 3.17Å; S115-C119 PolarHBondContact O-N 2.6Å; S115-C119 VanDerWaalsContact O-N 3.1Å; L116-C119 WeakPolarHBondContact O-CB 3.22Å; L116-C119 PolarHBondContact O-N 3.13Å; C119-A121 PolarHBondContact O-N 3.17Å; C119-G122 PolarHBondContact O-N 2.95Å; C119-A123 PolarHBondContact O-N 2.99Å; C119-A123 VanDerWaalsContact O-N 3.08Å; C119-H133 PolarHBondContact O-CD2 2.89Å; C119-V350 HydrophobicContact CB-CG2 4.34Å; C119-F380 HydrophobicContact CB-CE2 3.92Å; C119-F380 HydrophobicContact CB-CZ 4.31Å |
| 120 | K | 98.9 | Very high | 98.7 | Very high | 38 Ų | 38 | 20.5 Ų | 20.5 | 17% | 0.165 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 173.5 | -68.5 | -179.6 | -173.2 | -173.1 | 0 | 112.2 | F31 R32 L116 A117 V118 A123 V124 L130 D378 | F31-K120 HydrophobicContact CB-CB 4.22Å; F31-K120 HydrophobicContact CD1-CB 4.39Å; R32-K120 WeakPolarHBondContact O-CD 3.45Å; R32-K120 WeakPolarHBondContact O-CE 3.47Å; R32-K120 PolarHBondContact O-NZ 3.09Å; L116-K120 WeakPolarHBondContact O-CG 3.34Å; L116-K120 PolarHBondContact O-N 2.56Å; A117-K120 PolarHBondContact O-N 3.32Å; V118-K120 VanDerWaalsContact C-N 3.33Å; V118-K120 PolarHBondContact O-N 2.94Å; K120-A123 PolarHBondContact O-N 3.29Å; K120-V124 PolarHBondContact O-N 3.35Å; K120-L130 HydrophobicContact CG-CD1 4.38Å; K120-L130 HydrophobicContact CG-CD2 4.02Å; K120-D378 IonicContact NZ-OD1 3.69Å; K120-D378 PolarHBondContact NZ-OD1 2.98Å; K120-D378 IonicContact NZ-OD2 3.94Å; K120-D378 PolarHBondContact NZ-OD2 3.1Å |
| 121 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L24 T26 F31 V84 A117 V118 C119 A123 V124 E125 | L24-A121 HydrophobicContact CD2-CB 3.78Å; T26-A121 HydrophobicContact CG2-CB 4.18Å; F31-A121 HydrophobicContact CB-CB 4.17Å; F31-A121 HydrophobicContact CD1-CB 4.11Å; F31-A121 HydrophobicContact CD2-CB 3.42Å; F31-A121 VanDerWaalsContact CD2-CB 3.42Å; F31-A121 HydrophobicContact CE1-CB 4.45Å; F31-A121 HydrophobicContact CE2-CB 3.82Å; F31-A121 HydrophobicContact CG-CB 3.59Å; F31-A121 HydrophobicContact CZ-CB 4.31Å; V84-A121 HydrophobicContact CB-CB 3.98Å; V84-A121 HydrophobicContact CG1-CB 4Å; V84-A121 HydrophobicContact CG2-CB 4.12Å; A117-A121 WeakPolarHBondContact O-CB 3.34Å; A117-A121 PolarHBondContact O-N 3.48Å; V118-A121 CarbonylContact O-C 3.45Å; V118-A121 WeakPolarHBondContact O-CB 3.31Å; V118-A121 PolarHBondContact O-N 2.93Å; V118-A121 VanDerWaalsContact O-N 3.14Å; C119-A121 PolarHBondContact O-N 3.17Å; A121-A123 VanDerWaalsContact C-N 3.31Å; A121-A123 PolarHBondContact O-N 3.19Å; A121-V124 PolarHBondContact O-N 2.88Å; A121-E125 WeakPolarHBondContact O-CB 3.19Å; A121-E125 PolarHBondContact O-N 2.93Å |
| 122 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V118 C119 K126 | V118-G122 PolarHBondContact O-N 3.4Å; C119-G122 PolarHBondContact O-N 2.95Å; G122-K126 PolarHBondContact O-N 2.95Å; G122-K126 VanDerWaalsContact O-N 3.13Å |
| 123 | A | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.8 | -49.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | C119 K120 A121 E125 K126 G127 V128 L130 H133 | C119-A123 PolarHBondContact O-N 2.99Å; C119-A123 VanDerWaalsContact O-N 3.08Å; K120-A123 PolarHBondContact O-N 3.29Å; A121-A123 VanDerWaalsContact C-N 3.31Å; A121-A123 PolarHBondContact O-N 3.19Å; A123-E125 PolarHBondContact O-N 3.39Å; A123-K126 CarbonylContact O-C 3.32Å; A123-K126 PolarHBondContact O-N 3.37Å; A123-G127 PolarHBondContact O-N 3.42Å; A123-V128 CarbonylContact C-O 3.56Å; A123-V128 PolarHBondContact O-N 3.05Å; A123-V128 VanDerWaalsContact O-N 3.09Å; A123-V128 VanDerWaalsContact O-O 3.14Å; A123-L130 HydrophobicContact CB-CB 4.35Å; A123-L130 HydrophobicContact CB-CD1 4.16Å; A123-H133 HydrophobicContact CB-CB 3.52Å |
| 124 | V | 98.6 | Very high | 98.7 | Very high | 68 Ų | 68 | 23.7 Ų | 23.7 | 41% | 0.412 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -68.8 | -34.3 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | K28 F31 K120 A121 K126 G127 | K28-V124 HydrophobicContact CB-CG1 4.01Å; K28-V124 HydrophobicContact CG-CG1 4.45Å; F31-V124 HydrophobicContact CD1-CG2 4.43Å; F31-V124 HydrophobicContact CE1-CB 3.54Å; F31-V124 HydrophobicContact CE1-CG1 3.92Å; F31-V124 HydrophobicContact CE1-CG2 3.59Å; F31-V124 HydrophobicContact CZ-CB 3.91Å; F31-V124 HydrophobicContact CZ-CG1 3.94Å; F31-V124 HydrophobicContact CZ-CG2 4.42Å; K120-V124 PolarHBondContact O-N 3.35Å; A121-V124 PolarHBondContact O-N 2.88Å; V124-K126 VanDerWaalsContact C-N 3.28Å; V124-K126 PolarHBondContact O-N 3.47Å; V124-G127 PolarHBondContact O-N 2.82Å |
| 125 | E | 98.3 | Very high | 98.7 | Very high | 53 Ų | 53 | 23.7 Ų | 23.7 | 25% | 0.248 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -38.3 | 172.2 | 177 | 64.5 | 174.1 | 0 | 0 | 112 | M1 V84 T85 A121 A123 G127 | M1-E125 WeakPolarHBondContact CA-OE1 3.33Å; M1-E125 HydrophobicContact CB-CG 4.31Å; M1-E125 WeakPolarHBondContact CB-OE1 3.4Å; M1-E125 VanDerWaalsContact CB-OE2 3.26Å; M1-E125 WeakPolarHBondContact CB-OE2 3.35Å; M1-E125 VanDerWaalsContact CE-OE2 3.28Å; M1-E125 WeakPolarHBondContact CE-OE2 3.19Å; M1-E125 PolarHBondContact N-OE1 3.14Å; V84-E125 HydrophobicContact CG2-CB 3.86Å; V84-E125 HydrophobicContact CG2-CG 4.15Å; T85-E125 HydrophobicContact CG2-CB 4.01Å; T85-E125 HydrophobicContact CG2-CG 3.64Å; A121-E125 WeakPolarHBondContact O-CB 3.19Å; A121-E125 PolarHBondContact O-N 2.93Å; A123-E125 PolarHBondContact O-N 3.39Å; E125-G127 VanDerWaalsContact C-N 3.29Å |
| 126 | K | 98.1 | Very high | 98.7 | Very high | 89 Ų | 89 | 26.8 Ų | 26.8 | 39% | 0.387 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -77.9 | -10.2 | 174 | -75.2 | -168.8 | -178.8 | -178.7 | 0 | 113.9 | T85 G122 A123 V124 V128 D136 | T85-K126 HydrophobicContact CG2-CG 3.91Å; G122-K126 PolarHBondContact O-N 2.95Å; G122-K126 VanDerWaalsContact O-N 3.13Å; A123-K126 CarbonylContact O-C 3.32Å; A123-K126 PolarHBondContact O-N 3.37Å; V124-K126 VanDerWaalsContact C-N 3.28Å; V124-K126 PolarHBondContact O-N 3.47Å; K126-V128 VanDerWaalsContact C-N 3.34Å; K126-V128 HydrophobicContact CB-CG2 3.9Å; K126-D136 IonicContact NZ-OD2 3.18Å; K126-D136 PolarHBondContact NZ-OD2 2.89Å |
| 127 | G | 98.2 | Very high | 98.7 | Very high | 67 Ų | 67 | 28.8 Ų | 28.8 | 69% | 0.691 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 31.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A123 V124 E125 | A123-G127 PolarHBondContact O-N 3.42Å; V124-G127 PolarHBondContact O-N 2.82Å; E125-G127 VanDerWaalsContact C-N 3.29Å |
| 128 | V | 98.7 | Very high | 98.7 | Very high | 42 Ų | 42 | 29.2 Ų | 29.2 | 26% | 0.255 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -125.6 | 157.4 | 179.6 | -60 | 0 | 0 | 0 | 0 | 111.5 | A123 K126 R132 H133 | A123-V128 CarbonylContact C-O 3.56Å; A123-V128 PolarHBondContact O-N 3.05Å; A123-V128 VanDerWaalsContact O-N 3.09Å; A123-V128 VanDerWaalsContact O-O 3.14Å; K126-V128 VanDerWaalsContact C-N 3.34Å; K126-V128 HydrophobicContact CB-CG2 3.9Å; V128-R132 HydrophobicContact CB-CB 4.17Å; V128-R132 HydrophobicContact CB-CG 4.06Å; V128-R132 HydrophobicContact CG1-CG 4.36Å; V128-R132 HydrophobicContact CG2-CB 4.34Å; V128-R132 HydrophobicContact CG2-CG 4.36Å; V128-H133 HydrophobicContact CG2-CB 3.99Å |
| 129 | P | 98.8 | Very high | 98.6 | Very high | 42 Ų | 42 | 32.3 Ų | 32.3 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | trans | -59.3 | 155.6 | 170 | -24.4 | 35.6 | 0 | 0 | 0 | 112.3 | Y131 R132 H133 E416 | P129-Y131 HydrophobicContact CB-CD1 3.65Å; P129-Y131 HydrophobicContact CB-CE1 3.25Å; P129-Y131 HydrophobicContact CB-CE2 4.43Å; P129-Y131 HydrophobicContact CB-CG 4.4Å; P129-Y131 HydrophobicContact CG-CE1 3.88Å; P129-Y131 PolarHBondContact O-N 3.37Å; P129-R132 WeakPolarHBondContact O-CB 3.31Å; P129-R132 PolarHBondContact O-N 3.22Å; P129-R132 VanDerWaalsContact O-N 3.09Å; P129-H133 PolarHBondContact O-N 3.14Å; P129-E416 WeakPolarHBondContact CG-OE1 3.17Å | ||
| 130 | L | 98.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 33.6 Ų | 33.6 | 13% | 0.131 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | -176.4 | 175.3 | 63.4 | 0 | 0 | 0 | 112.1 | K120 A123 R132 H133 I134 F380 D383 | K120-L130 HydrophobicContact CG-CD1 4.38Å; K120-L130 HydrophobicContact CG-CD2 4.02Å; A123-L130 HydrophobicContact CB-CB 4.35Å; A123-L130 HydrophobicContact CB-CD1 4.16Å; L130-R132 PolarHBondContact O-N 2.92Å; L130-H133 WeakPolarHBondContact O-CB 3.32Å; L130-H133 PolarHBondContact O-N 3.5Å; L130-H133 VanDerWaalsContact O-N 3.1Å; L130-I134 HydrophobicContact CD1-CD1 3.97Å; L130-I134 HydrophobicContact CD1-CG1 4.09Å; L130-I134 HydrophobicContact CG-CD1 3.86Å; L130-I134 HydrophobicContact CG-CG1 4.39Å; L130-I134 WeakPolarHBondContact O-CG1 3.47Å; L130-I134 PolarHBondContact O-N 3.18Å; L130-F380 HydrophobicContact CD1-CE2 4.32Å; L130-F380 HydrophobicContact CD2-CD2 3.86Å; L130-F380 HydrophobicContact CD2-CE2 4.2Å; L130-D383 HydrophobicContact CB-CB 4.04Å; L130-D383 WeakPolarHBondContact CB-OD1 3.18Å; L130-D383 HydrophobicContact CD2-CB 3.72Å; L130-D383 HydrophobicContact CG-CB 3.71Å |
| 131 | Y | 98.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.1 | -35 | 176 | 66.8 | -98.7 | 0 | 0 | 0 | 112.9 | P129 A135 V143 D383 V386 G387 I413 L417 | P129-Y131 HydrophobicContact CB-CD1 3.65Å; P129-Y131 HydrophobicContact CB-CE1 3.25Å; P129-Y131 HydrophobicContact CB-CE2 4.43Å; P129-Y131 HydrophobicContact CB-CG 4.4Å; P129-Y131 HydrophobicContact CG-CE1 3.88Å; P129-Y131 PolarHBondContact O-N 3.37Å; Y131-A135 WeakPolarHBondContact O-CB 3.28Å; Y131-A135 PolarHBondContact O-N 3.42Å; Y131-V143 HydrophobicContact CD2-CG1 4.23Å; Y131-V143 HydrophobicContact CD2-CG2 4.49Å; Y131-V143 HydrophobicContact CE2-CG2 4.43Å; Y131-D383 WeakPolarHBondContact CA-O 3.47Å; Y131-D383 WeakPolarHBondContact CB-O 3.42Å; Y131-D383 PolarHBondContact N-OD1 3.1Å; Y131-V386 HydrophobicContact CD2-CG1 4.05Å; Y131-V386 HydrophobicContact CG-CG1 4.13Å; Y131-G387 VanDerWaalsContact O-CA 3.23Å; Y131-G387 WeakPolarHBondContact O-CA 3.34Å; Y131-I413 HydrophobicContact CD1-CB 4.43Å; Y131-I413 HydrophobicContact CD1-CD1 4.06Å; Y131-I413 HydrophobicContact CD1-CG1 3.8Å; Y131-I413 HydrophobicContact CD1-CG2 3.83Å; Y131-I413 HydrophobicContact CE1-CB 4.48Å; Y131-I413 HydrophobicContact CE1-CG1 4.13Å; Y131-I413 HydrophobicContact CE1-CG2 3.88Å; Y131-I413 HydrophobicContact CG-CG2 4.2Å; Y131-L417 HydrophobicContact CE2-CD2 3.95Å |
| 132 | R | 98.8 | Very high | 98.3 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.8 | -41.2 | 178 | -175.7 | 60.4 | -95.5 | 166 | -5.7 | 111.1 | V128 P129 L130 I134 A135 D136 N140 S141 | V128-R132 HydrophobicContact CB-CB 4.17Å; V128-R132 HydrophobicContact CB-CG 4.06Å; V128-R132 HydrophobicContact CG1-CG 4.36Å; V128-R132 HydrophobicContact CG2-CB 4.34Å; V128-R132 HydrophobicContact CG2-CG 4.36Å; P129-R132 WeakPolarHBondContact O-CB 3.31Å; P129-R132 PolarHBondContact O-N 3.22Å; P129-R132 VanDerWaalsContact O-N 3.09Å; L130-R132 PolarHBondContact O-N 2.92Å; R132-I134 VanDerWaalsContact C-N 3.33Å; R132-I134 PolarHBondContact O-N 2.89Å; R132-A135 PolarHBondContact O-N 2.98Å; R132-D136 IonicContact CZ-OD1 3.87Å; R132-D136 VanDerWaalsContact CZ-OD1 3.3Å; R132-D136 IonicContact NE-OD1 2.99Å; R132-D136 PolarHBondContact NE-OD1 2.91Å; R132-D136 IonicContact NH2-OD1 3.36Å; R132-D136 PolarHBondContact NH2-OD1 3.45Å; R132-D136 VanDerWaalsContact O-CG 3.29Å; R132-D136 PolarHBondContact O-N 3.13Å; R132-N140 PolarHBondContact NH2-O 3.38Å; R132-S141 PolarHBondContact NH1-O 3.42Å |
| 133 | H | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 173.2 | -177.9 | 58.3 | 0 | 0 | 0 | 112 | C119 A123 V128 P129 L130 D136 L137 | C119-H133 PolarHBondContact O-CD2 2.89Å; A123-H133 HydrophobicContact CB-CB 3.52Å; V128-H133 HydrophobicContact CG2-CB 3.99Å; P129-H133 PolarHBondContact O-N 3.14Å; L130-H133 WeakPolarHBondContact O-CB 3.32Å; L130-H133 PolarHBondContact O-N 3.5Å; L130-H133 VanDerWaalsContact O-N 3.1Å; H133-D136 WeakPolarHBondContact O-CB 3.29Å; H133-D136 PolarHBondContact O-N 2.85Å; H133-L137 WeakPolarHBondContact O-CG 3.48Å; H133-L137 PolarHBondContact O-N 3.11Å |
| 134 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 175.8 | -68.5 | 172.6 | 0 | 0 | 0 | 110.6 | L130 R132 D136 L137 A138 L354 F380 D383 L384 L388 | L130-I134 HydrophobicContact CD1-CD1 3.97Å; L130-I134 HydrophobicContact CD1-CG1 4.09Å; L130-I134 HydrophobicContact CG-CD1 3.86Å; L130-I134 HydrophobicContact CG-CG1 4.39Å; L130-I134 WeakPolarHBondContact O-CG1 3.47Å; L130-I134 PolarHBondContact O-N 3.18Å; R132-I134 VanDerWaalsContact C-N 3.33Å; R132-I134 PolarHBondContact O-N 2.89Å; I134-D136 VanDerWaalsContact C-N 3.29Å; I134-D136 PolarHBondContact O-N 3.38Å; I134-L137 PolarHBondContact O-N 3.16Å; I134-A138 WeakPolarHBondContact O-CB 3.41Å; I134-A138 PolarHBondContact O-N 2.85Å; I134-L354 HydrophobicContact CG2-CD2 4.19Å; I134-F380 HydrophobicContact CD1-CE1 4.38Å; I134-F380 HydrophobicContact CD1-CE2 4.2Å; I134-F380 HydrophobicContact CD1-CZ 3.92Å; I134-D383 HydrophobicContact CD1-CB 4.22Å; I134-L384 HydrophobicContact CD1-CB 4.28Å; I134-L384 HydrophobicContact CD1-CD1 4.26Å; I134-L384 HydrophobicContact CG2-CD1 3.91Å; I134-L388 HydrophobicContact CG2-CG 4.47Å |
| 135 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y131 R132 A138 G139 N140 V143 G387 | Y131-A135 WeakPolarHBondContact O-CB 3.28Å; Y131-A135 PolarHBondContact O-N 3.42Å; R132-A135 PolarHBondContact O-N 2.98Å; A135-A138 CarbonylContact O-C 3.56Å; A135-A138 PolarHBondContact O-N 3.23Å; A135-G139 PolarHBondContact O-N 2.75Å; A135-N140 HydrophobicContact CB-CB 4.19Å; A135-N140 PolarHBondContact O-N 3.36Å; A135-V143 HydrophobicContact CB-CG1 3.86Å; A135-G387 VanDerWaalsContact CA-O 3.3Å; A135-G387 WeakPolarHBondContact CA-O 3.39Å; A135-G387 WeakPolarHBondContact CB-O 3.44Å |
| 136 | D | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.353 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63 | -44.5 | 174.5 | -62.7 | -9 | 0 | 0 | 0 | 112 | K126 R132 H133 I134 A138 G139 | K126-D136 IonicContact NZ-OD2 3.18Å; K126-D136 PolarHBondContact NZ-OD2 2.89Å; R132-D136 IonicContact CZ-OD1 3.87Å; R132-D136 VanDerWaalsContact CZ-OD1 3.3Å; R132-D136 IonicContact NE-OD1 2.99Å; R132-D136 PolarHBondContact NE-OD1 2.91Å; R132-D136 IonicContact NH2-OD1 3.36Å; R132-D136 PolarHBondContact NH2-OD1 3.45Å; R132-D136 VanDerWaalsContact O-CG 3.29Å; R132-D136 PolarHBondContact O-N 3.13Å; H133-D136 WeakPolarHBondContact O-CB 3.29Å; H133-D136 PolarHBondContact O-N 2.85Å; I134-D136 VanDerWaalsContact C-N 3.29Å; I134-D136 PolarHBondContact O-N 3.38Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.92Å; D136-G139 PolarHBondContact O-N 3.48Å; D136-G139 VanDerWaalsContact O-N 3.13Å |
| 137 | L | 98.6 | Very high | 98.3 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -35.9 | 176.5 | -66.4 | 173 | 0 | 0 | 0 | 111.4 | Q87 H133 I134 G139 L354 K358 | Q87-L137 HydrophobicContact CB-CD1 3.98Å; Q87-L137 HydrophobicContact CB-CD2 4.02Å; Q87-L137 HydrophobicContact CG-CD1 4.13Å; H133-L137 WeakPolarHBondContact O-CG 3.48Å; H133-L137 PolarHBondContact O-N 3.11Å; I134-L137 PolarHBondContact O-N 3.16Å; L137-G139 VanDerWaalsContact C-N 3.3Å; L137-L354 HydrophobicContact CB-CD1 3.58Å; L137-L354 HydrophobicContact CD1-CD1 4.35Å; L137-K358 PolarHBondContact O-NZ 3.11Å |
| 138 | A | 98.1 | Very high | 98.3 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.2 | -17.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I134 A135 D136 K358 L388 | I134-A138 WeakPolarHBondContact O-CB 3.41Å; I134-A138 PolarHBondContact O-N 2.85Å; A135-A138 CarbonylContact O-C 3.56Å; A135-A138 PolarHBondContact O-N 3.23Å; D136-A138 VanDerWaalsContact C-N 3.27Å; D136-A138 PolarHBondContact O-N 2.92Å; A138-K358 WeakPolarHBondContact O-CE 3.25Å; A138-K358 PolarHBondContact O-NZ 3.43Å; A138-L388 HydrophobicContact CB-CD2 3.9Å |
| 139 | G | 97.8 | Very high | 98.3 | Very high | 65 Ų | 65 | 27.5 Ų | 27.5 | 67% | 0.67 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 21 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A135 D136 L137 | A135-G139 PolarHBondContact O-N 2.75Å; D136-G139 PolarHBondContact O-N 3.48Å; D136-G139 VanDerWaalsContact O-N 3.13Å; L137-G139 VanDerWaalsContact C-N 3.3Å |
| 140 | N | 97.4 | Very high | 98.4 | Very high | 28 Ų | 28 | 25.5 Ų | 25.5 | 15% | 0.15 | 15% | 0.154 | C | C | . | . | trans | -88.9 | 122.8 | 178.8 | -69.4 | -26.7 | 0 | 0 | 0 | 110 | R132 A135 G387 L388 | R132-N140 PolarHBondContact NH2-O 3.38Å; A135-N140 HydrophobicContact CB-CB 4.19Å; A135-N140 PolarHBondContact O-N 3.36Å; N140-G387 PolarHBondContact ND2-O 3.32Å; N140-L388 VanDerWaalsContact ND2-C 3.34Å; N140-L388 PolarHBondContact ND2-O 3.02Å | ||
| 141 | S | 95.9 | Very high | 98.3 | Very high | 112 Ų | 112 | 24.4 Ų | 24.4 | 78% | 0.783 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -78.8 | -31.8 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | R132 | R132-S141 PolarHBondContact NH1-O 3.42Š|
| 142 | E | 95.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 23.7 Ų | 23.7 | 46% | 0.458 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -107.1 | 176.3 | 175.5 | -58.2 | -166.8 | 132.2 | 0 | 0 | 110.7 | C389 K422 | E142-C389 PolarHBondContact O-SG 3.12Å; E142-K422 IonicContact OE1-NZ 2.76Å; E142-K422 PolarHBondContact OE1-NZ 3.45Å; E142-K422 IonicContact OE2-NZ 2.7Å; E142-K422 PolarHBondContact OE2-NZ 3.28Å |
| 143 | V | 98.1 | Very high | 98.3 | Very high | 14 Ų | 14 | 21.2 Ų | 21.2 | 9% | 0.085 | 14% | 0.136 | C | C | . | . | trans | -134.9 | 150.5 | 172.6 | -66.1 | 0 | 0 | 0 | 0 | 110.3 | Y131 A135 V386 C389 L417 | Y131-V143 HydrophobicContact CD2-CG1 4.23Å; Y131-V143 HydrophobicContact CD2-CG2 4.49Å; Y131-V143 HydrophobicContact CE2-CG2 4.43Å; A135-V143 HydrophobicContact CB-CG1 3.86Å; V143-V386 HydrophobicContact CB-CG1 3.71Å; V143-V386 HydrophobicContact CG1-CG1 4.25Å; V143-V386 HydrophobicContact CG2-CG1 4.15Å; V143-C389 VanDerWaalsContact CA-SG 3.57Å; V143-L417 HydrophobicContact CG2-CD1 3.81Å; V143-L417 HydrophobicContact CG2-CD2 3.7Å; V143-L417 HydrophobicContact CG2-CG 4.44Å | ||
| 144 | I | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | trans | -129.5 | 134.1 | -177 | -57.8 | -64.5 | 0 | 0 | 0 | 109.9 | V386 C389 K422 A424 P431 L432 | I144-V386 WeakPolarHBondContact O-CA 3.19Å; I144-C389 HydrophobicContact CB-CB 4.4Å; I144-C389 HydrophobicContact CG1-CB 4.12Å; I144-K422 HydrophobicContact CD1-CB 3.68Å; I144-K422 HydrophobicContact CD1-CD 3.94Å; I144-K422 HydrophobicContact CD1-CG 4.44Å; I144-A424 HydrophobicContact CG2-CB 3.89Å; I144-P431 HydrophobicContact CB-CB 4.5Å; I144-P431 HydrophobicContact CG1-CB 4.28Å; I144-P431 HydrophobicContact CG2-CB 3.85Å; I144-P431 HydrophobicContact CG2-CG 4.45Å; I144-L432 HydrophobicContact CD1-CD2 4.18Å; I144-L432 HydrophobicContact CG1-CD2 3.8Å | ||
| 145 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 133.9 | 168.1 | -74 | 164.4 | 0 | 0 | 0 | 111 | F178 V386 L410 I413 E414 A421 K422 F423 A424 | L145-F178 HydrophobicContact CB-CB 4.29Å; L145-F178 HydrophobicContact CD1-CB 4.03Å; L145-F178 HydrophobicContact CD2-CB 4.49Å; L145-V386 HydrophobicContact CD2-CG2 4.03Å; L145-L410 HydrophobicContact CD2-CD2 4.34Å; L145-I413 HydrophobicContact CD2-CG2 4.35Å; L145-E414 HydrophobicContact CD1-CB 3.44Å; L145-E414 VanDerWaalsContact CD1-CB 3.44Å; L145-E414 HydrophobicContact CD1-CG 3.47Å; L145-E414 VanDerWaalsContact CD1-CG 3.47Å; L145-E414 WeakPolarHBondContact CD1-OE1 3.39Å; L145-E414 HydrophobicContact CD2-CB 4.22Å; L145-E414 HydrophobicContact CG-CB 4.47Å; L145-A421 HydrophobicContact CD1-CB 4Å; L145-K422 PolarHBondContact N-O 3.04Å; L145-F423 HydrophobicContact CB-CD2 4.28Å; L145-A424 PolarHBondContact O-N 2.95Å |
| 146 | P | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 157 | -174.3 | 35.6 | -38.9 | 0 | 0 | 0 | 112.6 | P148 F178 V385 G391 I393 L410 F423 | P146-P148 WeakPolarHBondContact O-CD 3.46Å; P146-F178 HydrophobicContact CG-CE2 4.47Å; P146-F178 VanDerWaalsContact O-CD2 3.31Å; P146-F178 WeakPolarHBondContact O-CD2 3.35Å; P146-V385 HydrophobicContact CB-CG1 4.36Å; P146-V385 HydrophobicContact CB-CG2 3.7Å; P146-V385 HydrophobicContact CG-CG1 3.72Å; P146-V385 HydrophobicContact CG-CG2 4.01Å; P146-G391 CarbonylContact C-O 3.43Å; P146-G391 VanDerWaalsContact CA-C 3.47Å; P146-G391 WeakPolarHBondContact CA-O 3.36Å; P146-I393 HydrophobicContact CB-CB 4.24Å; P146-I393 HydrophobicContact CB-CG2 3.88Å; P146-I393 HydrophobicContact CG-CB 4.19Å; P146-I393 HydrophobicContact CG-CG2 3.54Å; P146-L410 HydrophobicContact CG-CD1 4Å; P146-L410 HydrophobicContact CG-CD2 4.06Å; P146-F423 WeakPolarHBondContact O-CE2 3.5Å |
| 147 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.3 | 156.7 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | L171 V173 G391 Q392 I393 F423 A424 G425 F428 | V147-L171 HydrophobicContact CG1-CB 3.99Å; V147-L171 HydrophobicContact CG1-CD2 4.45Å; V147-V173 HydrophobicContact CG1-CG1 4.01Å; V147-V173 HydrophobicContact CG2-CG1 4.39Å; V147-G391 PolarHBondContact N-O 3.23Å; V147-Q392 WeakPolarHBondContact O-CA 3.4Å; V147-I393 PolarHBondContact O-N 2.98Å; V147-I393 VanDerWaalsContact O-N 3.1Å; V147-F423 HydrophobicContact CB-CZ 4.45Å; V147-F423 HydrophobicContact CG2-CE1 4.34Å; V147-F423 HydrophobicContact CG2-CE2 4.17Å; V147-F423 HydrophobicContact CG2-CZ 3.75Å; V147-A424 HydrophobicContact CG2-CB 4.42Å; V147-G425 VanDerWaalsContact CG2-O 3.22Å; V147-G425 WeakPolarHBondContact CG2-O 3.18Å; V147-F428 HydrophobicContact CB-CB 4.03Å; V147-F428 HydrophobicContact CG2-CB 3.71Å |
| 148 | P | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 129.3 | 171.8 | 30.4 | -33.3 | 0 | 0 | 0 | 110.9 | P146 F150 P172 F178 A181 Y407 | P146-P148 WeakPolarHBondContact O-CD 3.46Å; P148-F150 HydrophobicContact CB-CD1 4.41Å; P148-F150 HydrophobicContact CB-CD2 4.29Å; P148-F150 HydrophobicContact CB-CE1 3.82Å; P148-F150 HydrophobicContact CB-CE2 3.7Å; P148-F150 HydrophobicContact CB-CZ 3.43Å; P148-F150 VanDerWaalsContact CB-CZ 3.43Å; P148-F150 HydrophobicContact CG-CD2 4.29Å; P148-F150 HydrophobicContact CG-CE1 4.22Å; P148-F150 HydrophobicContact CG-CE2 3.37Å; P148-F150 HydrophobicContact CG-CZ 3.32Å; P148-P172 WeakPolarHBondContact O-CD 3.5Å; P148-F178 HydrophobicContact CB-CE2 4.15Å; P148-F178 HydrophobicContact CG-CE2 3.96Å; P148-A181 HydrophobicContact CG-CB 4.03Å; P148-Y407 HydrophobicContact CB-CD1 4.27Å; P148-Y407 HydrophobicContact CB-CE1 3.63Å |
| 149 | A | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 98.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N151 M169 L171 M368 I393 K394 | A149-N151 PolarHBondContact O-N 3Å; A149-M169 HydrophobicContact CB-CB 4.41Å; A149-M169 HydrophobicContact CB-SD 3.76Å; A149-L171 HydrophobicContact CB-CD1 4.06Å; A149-L171 HydrophobicContact CB-CD2 4.13Å; A149-L171 HydrophobicContact CB-CG 3.82Å; A149-M368 HydrophobicContact CB-CE 4.49Å; A149-M368 HydrophobicContact CB-SD 4.48Å; A149-I393 PolarHBondContact N-O 2.8Å; A149-K394 HydrophobicContact CB-CB 4.09Å |
| 150 | F | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 114.3 | -176.2 | -60.1 | -74.1 | 0 | 0 | 0 | 110.7 | P148 V152 M169 I170 P172 M182 G396 P398 Y407 | P148-F150 HydrophobicContact CB-CD1 4.41Å; P148-F150 HydrophobicContact CB-CD2 4.29Å; P148-F150 HydrophobicContact CB-CE1 3.82Å; P148-F150 HydrophobicContact CB-CE2 3.7Å; P148-F150 HydrophobicContact CB-CZ 3.43Å; P148-F150 VanDerWaalsContact CB-CZ 3.43Å; P148-F150 HydrophobicContact CG-CD2 4.29Å; P148-F150 HydrophobicContact CG-CE1 4.22Å; P148-F150 HydrophobicContact CG-CE2 3.37Å; P148-F150 HydrophobicContact CG-CZ 3.32Å; F150-V152 HydrophobicContact CB-CG1 3.91Å; F150-V152 WeakPolarHBondContact O-CG1 3.39Å; F150-V152 PolarHBondContact O-N 2.81Å; F150-V152 VanDerWaalsContact O-N 3.12Å; F150-M169 CarbonylContact O-C 3.55Å; F150-M169 WeakPolarHBondContact O-CA 3.43Å; F150-I170 HydrophobicContact CB-CG1 3.86Å; F150-I170 HydrophobicContact CD2-CG1 4.13Å; F150-I170 HydrophobicContact CG-CG1 4.49Å; F150-I170 PolarHBondContact N-O 2.92Å; F150-I170 PolarHBondContact O-N 3.07Å; F150-P172 HydrophobicContact CD2-CG 4.28Å; F150-P172 HydrophobicContact CE2-CG 3.9Å; F150-M182 HydrophobicContact CE1-CE 4.02Å; F150-M182 HydrophobicContact CE1-SD 3.64Å; F150-M182 HydrophobicContact CZ-CE 4.18Å; F150-M182 HydrophobicContact CZ-SD 3.46Å; F150-M182 WeakPolarHBondContact CZ-SD 3.34Å; F150-G396 WeakPolarHBondContact CA-O 3.5Å; F150-P398 HydrophobicContact CD1-CB 4.39Å; F150-P398 HydrophobicContact CD1-CG 4.43Å; F150-P398 HydrophobicContact CE1-CB 4.43Å; F150-Y407 HydrophobicContact CD1-CE1 4.08Å; F150-Y407 AromaticContact CD1-CE2 3.74Å; F150-Y407 HydrophobicContact CD1-CE2 3.74Å; F150-Y407 AromaticContact CD1-CZ 3.48Å; F150-Y407 VanDerWaalsContact CD1-CZ 3.48Å; F150-Y407 WeakPolarHBondContact CD1-OH 3.28Å; F150-Y407 HydrophobicContact CE1-CD1 4.02Å; F150-Y407 HydrophobicContact CE1-CD2 4.09Å; F150-Y407 AromaticContact CE1-CE1 3.62Å; F150-Y407 HydrophobicContact CE1-CE1 3.62Å; F150-Y407 AromaticContact CE1-CE2 3.7Å; F150-Y407 HydrophobicContact CE1-CE2 3.7Å; F150-Y407 HydrophobicContact CE1-CG 4.24Å; F150-Y407 AromaticContact CE1-CZ 3.45Å; F150-Y407 VanDerWaalsContact CE1-CZ 3.45Å; F150-Y407 HydrophobicContact CZ-CE1 4.42Å |
| 151 | N | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 99.2 | 173.7 | -173.4 | 5.2 | 0 | 0 | 0 | 110.8 | A149 I153 N154 E167 M169 E210 G212 A397 | A149-N151 PolarHBondContact O-N 3Å; N151-I153 PolarHBondContact OD1-O 2.94Å; N151-I153 VanDerWaalsContact OD1-O 3.1Å; N151-N154 PolarHBondContact ND2-ND2 2.84Å; N151-N154 PolarHBondContact OD1-ND2 3.5Å; N151-E167 VanDerWaalsContact ND2-CG 3.28Å; N151-E167 WeakPolarHBondContact ND2-CG 3.26Å; N151-E167 WeakPolarHBondContact OD1-CA 3.13Å; N151-E167 WeakPolarHBondContact OD1-CB 3.35Å; N151-M169 HydrophobicContact CB-CG 4.09Å; N151-E210 PolarHBondContact ND2-OE2 2.77Å; N151-G212 WeakPolarHBondContact O-CA 3.42Å; N151-A397 WeakPolarHBondContact O-CA 3.49Å; N151-A397 WeakPolarHBondContact O-CB 3.45Å; N151-A397 PolarHBondContact O-N 3.48Å |
| 152 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -14.9 | -167.9 | -68.9 | 0 | 0 | 0 | 0 | 114.1 | F150 F168 I170 Y189 L192 G212 F213 L227 | F150-V152 HydrophobicContact CB-CG1 3.91Å; F150-V152 WeakPolarHBondContact O-CG1 3.39Å; F150-V152 PolarHBondContact O-N 2.81Å; F150-V152 VanDerWaalsContact O-N 3.12Å; V152-F168 VanDerWaalsContact CG2-O 3.31Å; V152-F168 WeakPolarHBondContact CG2-O 3.12Å; V152-F168 PolarHBondContact N-O 2.83Å; V152-I170 HydrophobicContact CG1-CD1 3.98Å; V152-I170 HydrophobicContact CG1-CG1 3.93Å; V152-I170 HydrophobicContact CG2-CG1 4.21Å; V152-I170 HydrophobicContact CG2-CG2 3.95Å; V152-Y189 HydrophobicContact CB-CD2 4.01Å; V152-Y189 HydrophobicContact CG1-CD2 3.72Å; V152-Y189 HydrophobicContact CG1-CG 4.47Å; V152-L192 HydrophobicContact CB-CD2 3.81Å; V152-L192 HydrophobicContact CG2-CD2 3.92Å; V152-G212 CarbonylContact O-C 3.57Å; V152-G212 WeakPolarHBondContact O-CA 3.47Å; V152-F213 PolarHBondContact O-N 3.1Å; V152-L227 HydrophobicContact CG2-CD1 4.34Å; V152-L227 HydrophobicContact CG2-CD2 3.46Å; V152-L227 VanDerWaalsContact CG2-CD2 3.46Å |
| 153 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.5 | 165.7 | -55.9 | 174.3 | 0 | 0 | 0 | 108.1 | N151 L163 F168 L192 F213 P215 L226 L227 | N151-I153 PolarHBondContact OD1-O 2.94Å; N151-I153 VanDerWaalsContact OD1-O 3.1Å; I153-L163 HydrophobicContact CG2-CD2 3.99Å; I153-F168 HydrophobicContact CB-CB 4.07Å; I153-F168 HydrophobicContact CB-CD2 4.3Å; I153-F168 HydrophobicContact CB-CG 4.44Å; I153-F168 HydrophobicContact CG2-CD2 4.36Å; I153-F168 PolarHBondContact N-O 2.82Å; I153-F168 PolarHBondContact O-N 3.26Å; I153-L192 HydrophobicContact CD1-CD1 4.27Å; I153-L192 HydrophobicContact CD1-CD2 4.32Å; I153-L192 HydrophobicContact CG1-CD2 3.8Å; I153-F213 CarbonylContact C-O 3.56Å; I153-F213 WeakPolarHBondContact CA-O 3.49Å; I153-P215 HydrophobicContact CG2-CG 4.11Å; I153-L226 HydrophobicContact CD1-CB 4.09Å; I153-L226 HydrophobicContact CD1-CD1 4.31Å; I153-L227 HydrophobicContact CD1-CD2 3.7Å; I153-L227 HydrophobicContact CD1-CG 4.03Å; I153-L227 HydrophobicContact CG1-CD2 3.99Å |
| 154 | N | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.4 | 176.2 | -70.9 | 126.1 | 0 | 0 | 0 | 111.2 | N151 H158 A159 N161 G212 F213 | N151-N154 PolarHBondContact ND2-ND2 2.84Å; N151-N154 PolarHBondContact OD1-ND2 3.5Å; N154-H158 HydrophobicContact CB-CB 4.39Å; N154-A159 HydrophobicContact CB-CB 3.95Å; N154-A159 WeakPolarHBondContact O-CB 3.35Å; N154-N161 PolarHBondContact O-ND2 3.2Å; N154-G212 WeakPolarHBondContact OD1-CA 3.46Å; N154-G212 PolarHBondContact OD1-N 3.39Å; N154-G212 PolarHBondContact OD1-O 2.64Å; N154-G212 VanDerWaalsContact OD1-O 3.14Å; N154-F213 PolarHBondContact N-O 3.06Å |
| 155 | G | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -130.3 | -148.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S157 H158 A159 M165 Q166 | G155-S157 PolarHBondContact O-N 2.94Å; G155-H158 PolarHBondContact O-N 2.97Å; G155-H158 VanDerWaalsContact O-N 3.09Å; G155-A159 PolarHBondContact O-N 2.92Å; G155-M165 CarbonylContact C-O 3.6Å; G155-M165 VanDerWaalsContact CA-O 3.23Å; G155-M165 WeakPolarHBondContact CA-O 3.44Å; G155-Q166 PolarHBondContact N-O 3.26Å | ||
| 156 | G | 94.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | 50.5 | -137.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H158 L163 A164 M165 K262 | G156-H158 VanDerWaalsContact C-N 3.26Å; G156-H158 PolarHBondContact O-N 3.29Å; G156-L163 PolarHBondContact N-O 2.81Å; G156-A164 WeakPolarHBondContact CA-O 3.28Å; G156-A164 PolarHBondContact N-O 2.77Å; G156-M165 PolarHBondContact N-O 3.02Å; G156-K262 WeakPolarHBondContact O-CD 3.46Å; G156-K262 PolarHBondContact O-NZ 3.21Å |
| 157 | S | 90.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 13 Ų | 13 | 35% | 0.35 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -78 | -5.1 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 113.7 | G155 E250 | G155-S157 PolarHBondContact O-N 2.94Å; S157-E250 PolarHBondContact OG-OE2 2.71Å |
| 158 | H | 86.3 | Confident | 95.4 | Very high | 8 Ų | 8 | 13 Ų | 13 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -93.4 | -5.5 | -178.7 | -66.8 | 175.4 | 0 | 0 | 0 | 113.9 | N154 G155 G156 Q166 E167 D209 E210 S373 | N154-H158 HydrophobicContact CB-CB 4.39Å; G155-H158 PolarHBondContact O-N 2.97Å; G155-H158 VanDerWaalsContact O-N 3.09Å; G156-H158 VanDerWaalsContact C-N 3.26Å; G156-H158 PolarHBondContact O-N 3.29Å; H158-Q166 HydrophobicContact CB-CG 4.38Å; H158-Q166 PolarHBondContact CE1-NE2 2.93Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.45Å; H158-E167 IonicContact CE1-OE1 3.68Å; H158-E167 IonicContact ND1-OE1 3.3Å; H158-D209 PolarHBondContact O-N 3.08Å; H158-E210 IonicContact CE1-OE1 3.68Å; H158-E210 PolarHBondContact CE1-OE1 3.37Å; H158-E210 VanDerWaalsContact CE1-OE1 3.3Å; H158-E210 IonicContact ND1-OE1 2.78Å; H158-S373 WeakPolarHBondContact NE2-CB 3.32Å |
| 159 | A | 88.3 | Confident | 95.3 | Very high | 13 Ų | 13 | 13.1 Ų | 13.1 | 11% | 0.107 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -149.1 | 141.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | N154 G155 N161 A214 K262 | N154-A159 HydrophobicContact CB-CB 3.95Å; N154-A159 WeakPolarHBondContact O-CB 3.35Å; G155-A159 PolarHBondContact O-N 2.92Å; A159-N161 PolarHBondContact O-N 2.98Å; A159-A214 HydrophobicContact CB-CB 3.75Å; A159-K262 PolarHBondContact O-NZ 2.83Å |
| 160 | G | 88.6 | Confident | 95.3 | Very high | 93 Ų | 93 | 13.1 Ų | 13.1 | 96% | 0.959 | 9% | 0.094 | S | C | * | . | S | Bend | trans | -77.7 | 42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 161 | N | 91.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 5% | 0.053 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -114.1 | -174.5 | 173.9 | 59.4 | 15.9 | 0 | 0 | 0 | 110.9 | N154 A159 P215 K262 | N154-N161 PolarHBondContact O-ND2 3.2Å; A159-N161 PolarHBondContact O-N 2.98Å; N161-P215 VanDerWaalsContact CB-O 3.24Å; N161-P215 WeakPolarHBondContact CB-O 3.15Å; N161-P215 PolarHBondContact ND2-O 3.21Å; N161-K262 VanDerWaalsContact O-CD 3.3Å; N161-K262 WeakPolarHBondContact O-CD 3.46Å; N161-K262 WeakPolarHBondContact O-CE 3.48Å; N161-K262 PolarHBondContact O-NZ 3.05Å; N161-K262 PolarHBondContact OD1-NZ 2.76Å |
| 162 | K | 93.8 | Very high | 95.4 | Very high | 89 Ų | 89 | 13.1 Ų | 13.1 | 39% | 0.387 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -88.3 | -21.2 | 176.4 | -69.9 | -162.9 | 170.8 | -150.2 | 0 | 115 | A164 I217 L218 S263 | K162-A164 PolarHBondContact O-N 2.83Å; K162-I217 CarbonylContact C-O 3.55Å; K162-L218 HydrophobicContact CB-CB 4.08Å; K162-L218 HydrophobicContact CB-CD1 3.86Å; K162-L218 HydrophobicContact CD-CD1 4.46Å; K162-S263 PolarHBondContact NZ-OG 2.94Å |
| 163 | L | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -51 | 118.5 | -177.3 | -171.4 | 62.5 | 0 | 0 | 0 | 111.5 | I153 G156 F168 I217 N220 K262 | I153-L163 HydrophobicContact CG2-CD2 3.99Å; G156-L163 PolarHBondContact N-O 2.81Å; L163-F168 HydrophobicContact CD1-CE2 4.07Å; L163-F168 HydrophobicContact CD1-CZ 3.98Å; L163-F168 HydrophobicContact CD2-CD2 4.07Å; L163-F168 HydrophobicContact CD2-CE2 3.45Å; L163-F168 VanDerWaalsContact CD2-CE2 3.45Å; L163-F168 HydrophobicContact CD2-CZ 4.15Å; L163-F168 HydrophobicContact CG-CE2 3.89Å; L163-F168 HydrophobicContact CG-CZ 4.31Å; L163-I217 WeakPolarHBondContact CA-O 3.47Å; L163-I217 HydrophobicContact CB-CG1 4.31Å; L163-I217 WeakPolarHBondContact CB-O 3.43Å; L163-I217 HydrophobicContact CD1-CD1 4.17Å; L163-I217 HydrophobicContact CD1-CG1 4.13Å; L163-I217 HydrophobicContact CD2-CD1 4.05Å; L163-I217 HydrophobicContact CD2-CG1 4.11Å; L163-I217 HydrophobicContact CG-CG1 4.44Å; L163-I217 PolarHBondContact N-O 2.84Å; L163-N220 HydrophobicContact CD1-CB 4.38Å; L163-N220 VanDerWaalsContact CD1-OD1 3.25Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.46Å; L163-K262 WeakPolarHBondContact O-CE 3.4Å; L163-K262 PolarHBondContact O-NZ 2.78Å | ||
| 164 | A | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | trans | -76.8 | -42.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G156 K162 F251 L259 F261 | G156-A164 WeakPolarHBondContact CA-O 3.28Å; G156-A164 PolarHBondContact N-O 2.77Å; K162-A164 PolarHBondContact O-N 2.83Å; A164-F251 HydrophobicContact CB-CD1 4.35Å; A164-F251 HydrophobicContact CB-CE1 4.42Å; A164-L259 HydrophobicContact CB-CB 4.42Å; A164-L259 HydrophobicContact CB-CD2 4.43Å; A164-L259 VanDerWaalsContact CB-O 3.23Å; A164-L259 WeakPolarHBondContact CB-O 3.35Å; A164-F261 HydrophobicContact CB-CD1 4.04Å; A164-F261 HydrophobicContact CB-CE1 4.16Å | ||
| 165 | M | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -69.4 | 139.3 | 179.4 | -62.7 | 177.7 | -173 | 0 | 0 | 110.6 | G155 G156 F168 N220 M244 V246 L259 L276 L279 Y280 F283 | G155-M165 CarbonylContact C-O 3.6Å; G155-M165 VanDerWaalsContact CA-O 3.23Å; G155-M165 WeakPolarHBondContact CA-O 3.44Å; G156-M165 PolarHBondContact N-O 3.02Å; M165-F168 HydrophobicContact CB-CE2 3.94Å; M165-F168 HydrophobicContact CB-CZ 3.89Å; M165-N220 VanDerWaalsContact CB-OD1 3.31Å; M165-N220 WeakPolarHBondContact CB-OD1 3.36Å; M165-N220 HydrophobicContact CE-CB 4.04Å; M165-N220 HydrophobicContact CG-CB 4.32Å; M165-N220 WeakPolarHBondContact CG-OD1 3.27Å; M165-N220 PolarHBondContact N-OD1 3.36Å; M165-N220 HydrophobicContact SD-CB 3.63Å; M165-M244 HydrophobicContact SD-CE 3.32Å; M165-M244 WeakPolarHBondContact SD-CE 3.3Å; M165-V246 HydrophobicContact CE-CG1 4.31Å; M165-V246 HydrophobicContact CG-CB 4.38Å; M165-V246 HydrophobicContact CG-CG1 3.74Å; M165-V246 HydrophobicContact CG-CG2 4.43Å; M165-V246 HydrophobicContact SD-CG1 4.34Å; M165-V246 HydrophobicContact SD-CG2 4.28Å; M165-L259 HydrophobicContact CE-CD2 4.5Å; M165-L276 HydrophobicContact CE-CD1 4.45Å; M165-L279 HydrophobicContact CE-CD2 4.21Å; M165-Y280 HydrophobicContact CE-CD1 4.29Å; M165-Y280 HydrophobicContact CE-CE1 3.55Å; M165-Y280 HydrophobicContact SD-CE1 4.39Å; M165-F283 HydrophobicContact CE-CE2 3.88Å; M165-F283 HydrophobicContact SD-CE2 4.03Å |
| 166 | Q | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | trans | -79.5 | -42.1 | -163.8 | -172.6 | 162.6 | -96.9 | 0 | 0 | 113.8 | S40 G155 H158 D245 A247 | S40-Q166 PolarHBondContact OG-NE2 3.06Å; G155-Q166 PolarHBondContact N-O 3.26Å; H158-Q166 HydrophobicContact CB-CG 4.38Å; H158-Q166 PolarHBondContact CE1-NE2 2.93Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.45Å; Q166-D245 PolarHBondContact N-O 3.03Å; Q166-D245 PolarHBondContact NE2-OD2 2.97Å; Q166-A247 HydrophobicContact CB-CB 3.81Å; Q166-A247 HydrophobicContact CG-CB 4.39Å | ||
| 167 | E | 98.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 132 | -171.4 | -43.8 | -177.5 | 163.8 | 0 | 0 | 111.4 | N151 H158 M169 M244 D245 K394 | N151-E167 VanDerWaalsContact ND2-CG 3.28Å; N151-E167 WeakPolarHBondContact ND2-CG 3.26Å; N151-E167 WeakPolarHBondContact OD1-CA 3.13Å; N151-E167 WeakPolarHBondContact OD1-CB 3.35Å; H158-E167 IonicContact CE1-OE1 3.68Å; H158-E167 IonicContact ND1-OE1 3.3Å; E167-M169 HydrophobicContact CB-CE 4.36Å; E167-M169 HydrophobicContact CB-CG 4.35Å; E167-M244 WeakPolarHBondContact O-CA 3.3Å; E167-D245 HydrophobicContact CB-CB 3.81Å; E167-D245 HydrophobicContact CG-CB 3.72Å; E167-D245 PolarHBondContact N-O 3.32Å; E167-D245 PolarHBondContact O-N 2.81Å; E167-D245 WeakPolarHBondContact OE2-CB 3.16Å; E167-K394 IonicContact OE1-NZ 3.89Å; E167-K394 IonicContact OE2-NZ 2.67Å; E167-K394 PolarHBondContact OE2-NZ 2.95Å |
| 168 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 110.2 | 168 | -59.7 | -109.8 | 0 | 0 | 0 | 107.8 | V152 I153 L163 M165 N220 L224 L227 M244 | V152-F168 VanDerWaalsContact CG2-O 3.31Å; V152-F168 WeakPolarHBondContact CG2-O 3.12Å; V152-F168 PolarHBondContact N-O 2.83Å; I153-F168 HydrophobicContact CB-CB 4.07Å; I153-F168 HydrophobicContact CB-CD2 4.3Å; I153-F168 HydrophobicContact CB-CG 4.44Å; I153-F168 HydrophobicContact CG2-CD2 4.36Å; I153-F168 PolarHBondContact N-O 2.82Å; I153-F168 PolarHBondContact O-N 3.26Å; L163-F168 HydrophobicContact CD1-CE2 4.07Å; L163-F168 HydrophobicContact CD1-CZ 3.98Å; L163-F168 HydrophobicContact CD2-CD2 4.07Å; L163-F168 HydrophobicContact CD2-CE2 3.45Å; L163-F168 VanDerWaalsContact CD2-CE2 3.45Å; L163-F168 HydrophobicContact CD2-CZ 4.15Å; L163-F168 HydrophobicContact CG-CE2 3.89Å; L163-F168 HydrophobicContact CG-CZ 4.31Å; M165-F168 HydrophobicContact CB-CE2 3.94Å; M165-F168 HydrophobicContact CB-CZ 3.89Å; F168-N220 HydrophobicContact CE1-CB 4.43Å; F168-N220 WeakPolarHBondContact CE1-O 3.47Å; F168-N220 HydrophobicContact CZ-CB 4.03Å; F168-L224 HydrophobicContact CD1-CD2 3.94Å; F168-L224 HydrophobicContact CD1-CG 4.18Å; F168-L224 HydrophobicContact CE1-CD2 4.29Å; F168-L224 HydrophobicContact CE1-CG 4.09Å; F168-L227 HydrophobicContact CB-CD1 3.77Å; F168-M244 HydrophobicContact CD1-CE 4.19Å; F168-M244 HydrophobicContact CE1-CE 3.69Å; F168-M244 HydrophobicContact CZ-CE 4.2Å |
| 169 | M | 98.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 147 | -170.1 | -65.4 | 176.3 | -90 | 0 | 0 | 112.2 | A149 F150 N151 E167 L171 I242 G243 D245 K394 | A149-M169 HydrophobicContact CB-CB 4.41Å; A149-M169 HydrophobicContact CB-SD 3.76Å; F150-M169 CarbonylContact O-C 3.55Å; F150-M169 WeakPolarHBondContact O-CA 3.43Å; N151-M169 HydrophobicContact CB-CG 4.09Å; E167-M169 HydrophobicContact CB-CE 4.36Å; E167-M169 HydrophobicContact CB-CG 4.35Å; M169-L171 HydrophobicContact CB-CD1 4.2Å; M169-I242 VanDerWaalsContact O-CA 3.31Å; M169-I242 WeakPolarHBondContact O-CA 3.19Å; M169-I242 WeakPolarHBondContact O-CG2 3.34Å; M169-G243 WeakPolarHBondContact CA-O 3.29Å; M169-G243 WeakPolarHBondContact CB-O 3.34Å; M169-G243 PolarHBondContact N-O 3.36Å; M169-G243 PolarHBondContact O-N 2.88Å; M169-D245 HydrophobicContact CE-CB 4.14Å; M169-K394 HydrophobicContact CE-CD 4.5Å; M169-K394 HydrophobicContact SD-CB 4.13Å; M169-K394 HydrophobicContact SD-CD 4.17Å |
| 170 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 137.9 | 166.4 | 60.1 | 172.7 | 0 | 0 | 0 | 110.3 | F150 V152 V188 L227 I231 V240 | F150-I170 HydrophobicContact CB-CG1 3.86Å; F150-I170 HydrophobicContact CD2-CG1 4.13Å; F150-I170 HydrophobicContact CG-CG1 4.49Å; F150-I170 PolarHBondContact N-O 2.92Å; F150-I170 PolarHBondContact O-N 3.07Å; V152-I170 HydrophobicContact CG1-CD1 3.98Å; V152-I170 HydrophobicContact CG1-CG1 3.93Å; V152-I170 HydrophobicContact CG2-CG1 4.21Å; V152-I170 HydrophobicContact CG2-CG2 3.95Å; I170-V188 HydrophobicContact CD1-CB 3.62Å; I170-V188 HydrophobicContact CD1-CG1 3.51Å; I170-V188 HydrophobicContact CD1-CG2 4.43Å; I170-V188 HydrophobicContact CG2-CG1 4.4Å; I170-L227 HydrophobicContact CG2-CD1 4.13Å; I170-L227 HydrophobicContact CG2-CD2 4.36Å; I170-I231 HydrophobicContact CG2-CD1 4.16Å; I170-I231 HydrophobicContact CG2-CG1 4.49Å; I170-V240 HydrophobicContact CB-CG1 3.72Å; I170-V240 HydrophobicContact CG2-CG1 4.11Å |
| 171 | L | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 107.4 | -179.4 | -69.5 | 84.3 | 0 | 0 | 0 | 109.3 | V147 A149 M169 V173 V240 V241 G243 F428 | V147-L171 HydrophobicContact CG1-CB 3.99Å; V147-L171 HydrophobicContact CG1-CD2 4.45Å; A149-L171 HydrophobicContact CB-CD1 4.06Å; A149-L171 HydrophobicContact CB-CD2 4.13Å; A149-L171 HydrophobicContact CB-CG 3.82Å; M169-L171 HydrophobicContact CB-CD1 4.2Å; L171-V173 HydrophobicContact CB-CG1 4.09Å; L171-V173 PolarHBondContact O-N 3.36Å; L171-V240 WeakPolarHBondContact O-CA 3.35Å; L171-V241 HydrophobicContact CB-CG2 3.8Å; L171-V241 PolarHBondContact N-O 2.97Å; L171-V241 PolarHBondContact O-N 3.26Å; L171-G243 VanDerWaalsContact CD1-N 3.3Å; L171-F428 HydrophobicContact CD2-CE2 4.37Å |
| 172 | P | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -75.1 | 57.6 | 177.9 | -19.1 | 34.9 | 0 | 0 | 0 | 113.8 | P148 F150 G174 A175 A181 I184 K239 V240 | P148-P172 WeakPolarHBondContact O-CD 3.5Å; F150-P172 HydrophobicContact CD2-CG 4.28Å; F150-P172 HydrophobicContact CE2-CG 3.9Å; P172-G174 PolarHBondContact O-N 3.26Å; P172-G174 VanDerWaalsContact O-N 3.11Å; P172-A175 HydrophobicContact CB-CB 4.47Å; P172-A175 WeakPolarHBondContact O-CB 3.32Å; P172-A175 PolarHBondContact O-N 3.34Å; P172-A175 VanDerWaalsContact O-N 3.1Å; P172-A181 HydrophobicContact CB-CB 4Å; P172-A181 HydrophobicContact CG-CB 4.41Å; P172-A181 WeakPolarHBondContact CG-O 3.38Å; P172-I184 HydrophobicContact CB-CB 4.12Å; P172-I184 HydrophobicContact CB-CG2 3.88Å; P172-I184 HydrophobicContact CG-CB 4.36Å; P172-I184 HydrophobicContact CG-CG2 4.07Å; P172-K239 CarbonylContact C-O 3.21Å; P172-K239 WeakPolarHBondContact CA-O 3.44Å; P172-V240 HydrophobicContact CB-CG2 4.4Å | ||
| 173 | V | 98.9 | Very high | 98.5 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.055 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.1 | -176.4 | -63 | 0 | 0 | 0 | 0 | 113.9 | V147 L171 K239 V241 G425 R426 F428 | V147-V173 HydrophobicContact CG1-CG1 4.01Å; V147-V173 HydrophobicContact CG2-CG1 4.39Å; L171-V173 HydrophobicContact CB-CG1 4.09Å; L171-V173 PolarHBondContact O-N 3.36Å; V173-K239 PolarHBondContact N-O 2.73Å; V173-K239 VanDerWaalsContact N-O 3.16Å; V173-V241 HydrophobicContact CB-CG2 4.37Å; V173-V241 HydrophobicContact CG1-CG2 3.67Å; V173-V241 HydrophobicContact CG2-CB 4.45Å; V173-V241 HydrophobicContact CG2-CG1 3.9Å; V173-V241 HydrophobicContact CG2-CG2 3.74Å; V173-G425 CarbonylContact O-C 3.53Å; V173-G425 VanDerWaalsContact O-CA 3.26Å; V173-G425 WeakPolarHBondContact O-CA 3.21Å; V173-R426 HydrophobicContact CB-CG 4.29Å; V173-R426 HydrophobicContact CG2-CG 4.3Å; V173-R426 PolarHBondContact O-N 3.47Å; V173-R426 VanDerWaalsContact O-N 3.16Å; V173-F428 HydrophobicContact CG1-CD1 3.88Å; V173-F428 HydrophobicContact CG1-CE1 4.17Å |
| 174 | G | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 5.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P172 K239 | P172-G174 PolarHBondContact O-N 3.26Å; P172-G174 VanDerWaalsContact O-N 3.11Å; G174-K239 PolarHBondContact N-O 2.82Å |
| 175 | A | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | trans | -68.8 | 151 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P172 E180 A181 I184 F423 | P172-A175 HydrophobicContact CB-CB 4.47Å; P172-A175 WeakPolarHBondContact O-CB 3.32Å; P172-A175 PolarHBondContact O-N 3.34Å; P172-A175 VanDerWaalsContact O-N 3.1Å; A175-E180 HydrophobicContact CB-CB 4.14Å; A175-E180 HydrophobicContact CB-CG 4.22Å; A175-A181 HydrophobicContact CB-CB 3.74Å; A175-I184 HydrophobicContact CB-CD1 4.13Å; A175-F423 HydrophobicContact CB-CE1 3.92Å; A175-F423 HydrophobicContact CB-CZ 4.25Å; A175-F423 WeakPolarHBondContact O-CD1 3.18Å; A175-F423 VanDerWaalsContact O-CE1 3.27Å; A175-F423 WeakPolarHBondContact O-CE1 3.48Å | ||
| 176 | A | 98.4 | Very high | 98.8 | Very high | 76 Ų | 76 | 26.4 Ų | 26.4 | 63% | 0.628 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -79.8 | -26.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E180 | A176-E180 VanDerWaalsContact CB-OE2 3.28Å; A176-E180 WeakPolarHBondContact CB-OE2 3.26Å; A176-E180 PolarHBondContact N-OE2 3.24Å |
| 177 | N | 98.8 | Very high | 98.8 | Very high | 64 Ų | 64 | 29.4 Ų | 29.4 | 34% | 0.342 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -155.8 | 171.7 | -177.6 | 58.5 | 50.1 | 0 | 0 | 0 | 110.6 | R179 E180 A181 E414 | N177-R179 PolarHBondContact OD1-N 2.88Å; N177-E180 PolarHBondContact O-N 2.99Å; N177-E180 WeakPolarHBondContact OD1-CB 3.44Å; N177-E180 PolarHBondContact OD1-N 3.36Å; N177-A181 PolarHBondContact O-N 2.94Å; N177-E414 WeakPolarHBondContact CB-OE1 3.46Å |
| 178 | F | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.8 | -39.8 | -176.5 | -176.2 | -94.4 | 0 | 0 | 0 | 111.8 | L145 P146 P148 E180 A181 M182 Y407 L410 L411 E414 F423 | L145-F178 HydrophobicContact CB-CB 4.29Å; L145-F178 HydrophobicContact CD1-CB 4.03Å; L145-F178 HydrophobicContact CD2-CB 4.49Å; P146-F178 HydrophobicContact CG-CE2 4.47Å; P146-F178 VanDerWaalsContact O-CD2 3.31Å; P146-F178 WeakPolarHBondContact O-CD2 3.35Å; P148-F178 HydrophobicContact CB-CE2 4.15Å; P148-F178 HydrophobicContact CG-CE2 3.96Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 3Å; F178-A181 WeakPolarHBondContact O-CB 3.37Å; F178-A181 PolarHBondContact O-N 2.88Å; F178-A181 VanDerWaalsContact O-N 3.11Å; F178-M182 HydrophobicContact CD1-CG 3.94Å; F178-M182 HydrophobicContact CE1-CG 3.34Å; F178-M182 HydrophobicContact CE1-SD 3.93Å; F178-M182 HydrophobicContact CZ-CG 3.69Å; F178-M182 HydrophobicContact CZ-SD 3.71Å; F178-M182 PolarHBondContact O-N 2.81Å; F178-Y407 WeakPolarHBondContact CE1-O 3.48Å; F178-Y407 HydrophobicContact CZ-CD1 4.08Å; F178-L410 HydrophobicContact CD1-CB 3.81Å; F178-L410 HydrophobicContact CD2-CB 4.44Å; F178-L410 HydrophobicContact CE1-CB 3.25Å; F178-L410 HydrophobicContact CE1-CD1 4.27Å; F178-L410 HydrophobicContact CE1-CG 4.38Å; F178-L410 HydrophobicContact CE2-CB 3.95Å; F178-L410 HydrophobicContact CE2-CD1 3.61Å; F178-L410 HydrophobicContact CE2-CG 4.35Å; F178-L410 HydrophobicContact CG-CB 4.39Å; F178-L410 HydrophobicContact CZ-CB 3.34Å; F178-L410 HydrophobicContact CZ-CD1 3.44Å; F178-L410 VanDerWaalsContact CZ-CD1 3.44Å; F178-L410 HydrophobicContact CZ-CG 4.01Å; F178-L411 HydrophobicContact CD1-CD2 3.91Å; F178-L411 HydrophobicContact CD1-CG 4.21Å; F178-L411 HydrophobicContact CE1-CD2 4.15Å; F178-L411 HydrophobicContact CE1-CG 4.03Å; F178-E414 WeakPolarHBondContact CA-OE1 3.49Å; F178-E414 VanDerWaalsContact CB-OE1 3.27Å; F178-E414 WeakPolarHBondContact CB-OE1 3.42Å; F178-E414 PolarHBondContact N-OE1 3.44Å; F178-F423 HydrophobicContact CB-CD2 4.15Å; F178-F423 HydrophobicContact CB-CE2 4.39Å; F178-F423 HydrophobicContact CD2-CE2 4.35Å |
| 179 | R | 98.9 | Very high | 98.9 | Very high | 181 Ų | 181 | 29.7 Ų | 29.7 | 68% | 0.683 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -57.5 | -43.1 | 174.3 | 179.4 | 178 | 178.9 | -179.7 | 1.1 | 112.9 | N177 R183 L411 E414 | N177-R179 PolarHBondContact OD1-N 2.88Å; R179-R183 PolarHBondContact O-N 3.41Å; R179-R183 VanDerWaalsContact O-N 3.13Å; R179-L411 HydrophobicContact CB-CD2 3.85Å; R179-L411 HydrophobicContact CG-CD2 4.17Å; R179-E414 WeakPolarHBondContact CB-OE2 3.5Å; R179-E414 PolarHBondContact N-OE2 2.98Å |
| 180 | E | 98.9 | Very high | 98.9 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | 174.4 | -171.7 | -172.3 | -175.6 | 0 | 0 | 110.9 | A175 A176 N177 F178 M182 R183 I184 K239 | A175-E180 HydrophobicContact CB-CB 4.14Å; A175-E180 HydrophobicContact CB-CG 4.22Å; A176-E180 VanDerWaalsContact CB-OE2 3.28Å; A176-E180 WeakPolarHBondContact CB-OE2 3.26Å; A176-E180 PolarHBondContact N-OE2 3.24Å; N177-E180 PolarHBondContact O-N 2.99Å; N177-E180 WeakPolarHBondContact OD1-CB 3.44Å; N177-E180 PolarHBondContact OD1-N 3.36Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 3Å; E180-M182 VanDerWaalsContact C-N 3.33Å; E180-M182 PolarHBondContact O-N 2.99Å; E180-R183 PolarHBondContact O-N 3.27Å; E180-I184 HydrophobicContact CG-CD1 3.9Å; E180-I184 HydrophobicContact CG-CG1 4.28Å; E180-I184 WeakPolarHBondContact O-CG1 3.39Å; E180-I184 PolarHBondContact O-N 2.73Å; E180-K239 IonicContact OE1-NZ 3.72Å; E180-K239 PolarHBondContact OE1-NZ 2.89Å |
| 181 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P148 P172 A175 N177 F178 R183 I184 G185 F423 | P148-A181 HydrophobicContact CG-CB 4.03Å; P172-A181 HydrophobicContact CB-CB 4Å; P172-A181 HydrophobicContact CG-CB 4.41Å; P172-A181 WeakPolarHBondContact CG-O 3.38Å; A175-A181 HydrophobicContact CB-CB 3.74Å; N177-A181 PolarHBondContact O-N 2.94Å; F178-A181 WeakPolarHBondContact O-CB 3.37Å; F178-A181 PolarHBondContact O-N 2.88Å; F178-A181 VanDerWaalsContact O-N 3.11Å; A181-R183 PolarHBondContact O-N 3.38Å; A181-I184 PolarHBondContact O-N 3.24Å; A181-G185 PolarHBondContact O-N 3.42Å; A181-F423 HydrophobicContact CB-CE2 4.1Å; A181-F423 HydrophobicContact CB-CZ 3.77Å |
| 182 | M | 98.9 | Very high | 98.9 | Very high | 18 Ų | 18 | 36.8 Ų | 36.8 | 9% | 0.089 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 173.8 | -78.3 | -57.4 | -52.3 | 0 | 0 | 112.5 | F150 F178 E180 G185 A186 Y407 L411 | F150-M182 HydrophobicContact CE1-CE 4.02Å; F150-M182 HydrophobicContact CE1-SD 3.64Å; F150-M182 HydrophobicContact CZ-CE 4.18Å; F150-M182 HydrophobicContact CZ-SD 3.46Å; F150-M182 WeakPolarHBondContact CZ-SD 3.34Å; F178-M182 HydrophobicContact CD1-CG 3.94Å; F178-M182 HydrophobicContact CE1-CG 3.34Å; F178-M182 HydrophobicContact CE1-SD 3.93Å; F178-M182 HydrophobicContact CZ-CG 3.69Å; F178-M182 HydrophobicContact CZ-SD 3.71Å; F178-M182 PolarHBondContact O-N 2.81Å; E180-M182 VanDerWaalsContact C-N 3.33Å; E180-M182 PolarHBondContact O-N 2.99Å; M182-G185 PolarHBondContact O-N 3.37Å; M182-A186 WeakPolarHBondContact O-CB 3.38Å; M182-A186 PolarHBondContact O-N 3.18Å; M182-Y407 HydrophobicContact CE-CD2 4.3Å; M182-Y407 HydrophobicContact CE-CG 3.92Å; M182-Y407 HydrophobicContact SD-CD1 3.72Å; M182-Y407 HydrophobicContact SD-CD2 4.48Å; M182-Y407 HydrophobicContact SD-CG 3.69Å; M182-L411 HydrophobicContact CB-CD2 4.4Å; M182-L411 HydrophobicContact CG-CD2 4.1Å; M182-L411 HydrophobicContact CG-CG 4.31Å |
| 183 | R | 98.9 | Very high | 98.9 | Very high | 116 Ų | 116 | 41.1 Ų | 41.1 | 44% | 0.438 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 177.6 | -178.1 | -179.8 | 71.3 | 93.5 | -0.5 | 111.5 | R179 E180 A181 G185 A186 E187 Y236 | R179-R183 PolarHBondContact O-N 3.41Å; R179-R183 VanDerWaalsContact O-N 3.13Å; E180-R183 PolarHBondContact O-N 3.27Å; A181-R183 PolarHBondContact O-N 3.38Å; R183-G185 PolarHBondContact O-N 2.85Å; R183-A186 PolarHBondContact O-N 2.92Å; R183-E187 WeakPolarHBondContact CD-OE1 3.17Å; R183-E187 HydrophobicContact CG-CG 4.41Å; R183-E187 WeakPolarHBondContact CG-OE1 3.36Å; R183-E187 IonicContact CZ-OE1 3.3Å; R183-E187 IonicContact NE-OE1 2.66Å; R183-E187 IonicContact NH1-OE1 2.73Å; R183-E187 PolarHBondContact NH1-OE1 3.1Å; R183-E187 IonicContact NH1-OE2 3.24Å; R183-E187 WeakPolarHBondContact O-CB 3.36Å; R183-E187 WeakPolarHBondContact O-CG 3.36Å; R183-E187 PolarHBondContact O-N 2.99Å; R183-Y236 PolarHBondContact NH1-OH 3.46Å |
| 184 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 178.3 | -69.8 | 173.4 | 0 | 0 | 0 | 110.2 | P172 A175 E180 A181 A186 E187 V188 Y236 K239 V240 | P172-I184 HydrophobicContact CB-CB 4.12Å; P172-I184 HydrophobicContact CB-CG2 3.88Å; P172-I184 HydrophobicContact CG-CB 4.36Å; P172-I184 HydrophobicContact CG-CG2 4.07Å; A175-I184 HydrophobicContact CB-CD1 4.13Å; E180-I184 HydrophobicContact CG-CD1 3.9Å; E180-I184 HydrophobicContact CG-CG1 4.28Å; E180-I184 WeakPolarHBondContact O-CG1 3.39Å; E180-I184 PolarHBondContact O-N 2.73Å; A181-I184 PolarHBondContact O-N 3.24Å; I184-A186 PolarHBondContact O-N 3.06Å; I184-E187 PolarHBondContact O-N 2.93Å; I184-V188 HydrophobicContact CG2-CG2 4.4Å; I184-V188 VanDerWaalsContact O-CG2 3.32Å; I184-V188 WeakPolarHBondContact O-CG2 3.28Å; I184-V188 PolarHBondContact O-N 2.97Å; I184-Y236 HydrophobicContact CB-CD2 4.44Å; I184-Y236 HydrophobicContact CB-CE2 4.42Å; I184-Y236 HydrophobicContact CD1-CD1 4.16Å; I184-Y236 HydrophobicContact CD1-CE1 4.15Å; I184-Y236 HydrophobicContact CG1-CD1 4.02Å; I184-Y236 HydrophobicContact CG1-CD2 4.4Å; I184-Y236 HydrophobicContact CG1-CE1 3.75Å; I184-Y236 HydrophobicContact CG1-CE2 4.16Å; I184-Y236 HydrophobicContact CG1-CG 4.34Å; I184-Y236 HydrophobicContact CG2-CD1 4.29Å; I184-Y236 HydrophobicContact CG2-CD2 3.8Å; I184-Y236 HydrophobicContact CG2-CE2 4.27Å; I184-Y236 HydrophobicContact CG2-CG 3.82Å; I184-K239 HydrophobicContact CD1-CB 4.43Å; I184-K239 HydrophobicContact CD1-CD 3.77Å; I184-V240 HydrophobicContact CG2-CG2 3.37Å |
| 185 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A181 M182 R183 Y189 | A181-G185 PolarHBondContact O-N 3.42Å; M182-G185 PolarHBondContact O-N 3.37Å; R183-G185 PolarHBondContact O-N 2.85Å; G185-Y189 VanDerWaalsContact O-CB 3.32Å; G185-Y189 WeakPolarHBondContact O-CB 3.37Å; G185-Y189 PolarHBondContact O-N 2.76Å |
| 186 | A | 98.9 | Very high | 98.8 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 22% | 0.223 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | M182 R183 I184 Y189 H190 P398 | M182-A186 WeakPolarHBondContact O-CB 3.38Å; M182-A186 PolarHBondContact O-N 3.18Å; R183-A186 PolarHBondContact O-N 2.92Å; I184-A186 PolarHBondContact O-N 3.06Å; A186-Y189 PolarHBondContact O-N 2.86Å; A186-H190 PolarHBondContact O-N 2.69Å; A186-H190 PolarHBondContact O-ND1 2.91Å; A186-P398 HydrophobicContact CB-CB 4.38Å |
| 187 | E | 98.9 | Very high | 98.8 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65 | -40.8 | 177.6 | -73.4 | 175.6 | -161 | 0 | 0 | 111.8 | R183 I184 N191 Y236 | R183-E187 WeakPolarHBondContact CD-OE1 3.17Å; R183-E187 HydrophobicContact CG-CG 4.41Å; R183-E187 WeakPolarHBondContact CG-OE1 3.36Å; R183-E187 IonicContact CZ-OE1 3.3Å; R183-E187 IonicContact NE-OE1 2.66Å; R183-E187 IonicContact NH1-OE1 2.73Å; R183-E187 PolarHBondContact NH1-OE1 3.1Å; R183-E187 IonicContact NH1-OE2 3.24Å; R183-E187 WeakPolarHBondContact O-CB 3.36Å; R183-E187 WeakPolarHBondContact O-CG 3.36Å; R183-E187 PolarHBondContact O-N 2.99Å; I184-E187 PolarHBondContact O-N 2.93Å; E187-N191 PolarHBondContact O-N 3.07Å; E187-N191 PolarHBondContact O-ND2 3.1Å; E187-Y236 HydrophobicContact CB-CE2 4.09Å; E187-Y236 WeakPolarHBondContact OE2-CE2 3.4Å; E187-Y236 VanDerWaalsContact OE2-CZ 3.24Å; E187-Y236 PolarHBondContact OE2-OH 3.18Å |
| 188 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | 173.1 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | I170 I184 H190 N191 L192 A230 I231 A234 Y236 V240 | I170-V188 HydrophobicContact CD1-CB 3.62Å; I170-V188 HydrophobicContact CD1-CG1 3.51Å; I170-V188 HydrophobicContact CD1-CG2 4.43Å; I170-V188 HydrophobicContact CG2-CG1 4.4Å; I184-V188 HydrophobicContact CG2-CG2 4.4Å; I184-V188 VanDerWaalsContact O-CG2 3.32Å; I184-V188 WeakPolarHBondContact O-CG2 3.28Å; I184-V188 PolarHBondContact O-N 2.97Å; V188-H190 PolarHBondContact O-N 3.01Å; V188-N191 PolarHBondContact O-N 2.94Å; V188-L192 WeakPolarHBondContact O-CB 3.15Å; V188-L192 PolarHBondContact O-N 2.8Å; V188-A230 HydrophobicContact CG1-CB 4.31Å; V188-I231 HydrophobicContact CG1-CG1 3.81Å; V188-I231 HydrophobicContact CG2-CG1 4.46Å; V188-A234 HydrophobicContact CG2-CB 3.8Å; V188-Y236 HydrophobicContact CG2-CD2 3.98Å; V188-V240 HydrophobicContact CG2-CG2 4.45Å |
| 189 | Y | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 56 Ų | 56 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 177.5 | 177.8 | -101.8 | 0 | 0 | 0 | 112.6 | V152 G185 A186 L192 K193 V207 G211 F213 A397 P398 C399 | V152-Y189 HydrophobicContact CB-CD2 4.01Å; V152-Y189 HydrophobicContact CG1-CD2 3.72Å; V152-Y189 HydrophobicContact CG1-CG 4.47Å; G185-Y189 VanDerWaalsContact O-CB 3.32Å; G185-Y189 WeakPolarHBondContact O-CB 3.37Å; G185-Y189 PolarHBondContact O-N 2.76Å; A186-Y189 PolarHBondContact O-N 2.86Å; Y189-L192 WeakPolarHBondContact O-CB 3.04Å; Y189-L192 PolarHBondContact O-N 3.49Å; Y189-K193 PolarHBondContact O-N 2.9Å; Y189-V207 WeakPolarHBondContact OH-CG1 3.42Å; Y189-G211 WeakPolarHBondContact CE2-O 3.32Å; Y189-G211 PolarHBondContact OH-O 2.94Å; Y189-F213 HydrophobicContact CD1-CE2 4.48Å; Y189-F213 HydrophobicContact CD1-CZ 4.33Å; Y189-F213 HydrophobicContact CD2-CD2 4.35Å; Y189-F213 AromaticContact CD2-CE2 3.65Å; Y189-F213 HydrophobicContact CD2-CE2 3.65Å; Y189-F213 HydrophobicContact CD2-CZ 4.16Å; Y189-F213 HydrophobicContact CE1-CE2 4.2Å; Y189-F213 AromaticContact CE1-CZ 3.72Å; Y189-F213 HydrophobicContact CE1-CZ 3.72Å; Y189-F213 AromaticContact CE2-CD2 3.92Å; Y189-F213 HydrophobicContact CE2-CD2 3.92Å; Y189-F213 HydrophobicContact CE2-CE1 4.35Å; Y189-F213 AromaticContact CE2-CE2 3.34Å; Y189-F213 HydrophobicContact CE2-CE2 3.34Å; Y189-F213 AromaticContact CE2-CZ 3.57Å; Y189-F213 HydrophobicContact CE2-CZ 3.57Å; Y189-F213 HydrophobicContact CG-CE2 4.23Å; Y189-F213 AromaticContact CZ-CE1 3.95Å; Y189-F213 AromaticContact CZ-CE2 3.65Å; Y189-F213 AromaticContact CZ-CZ 3.31Å; Y189-F213 WeakPolarHBondContact O-CE2 3.41Å; Y189-F213 WeakPolarHBondContact OH-CZ 3.48Å; Y189-A397 HydrophobicContact CE2-CB 4.09Å; Y189-P398 HydrophobicContact CD1-CG 4.05Å; Y189-P398 HydrophobicContact CD2-CG 4.33Å; Y189-P398 HydrophobicContact CG-CG 3.76Å; Y189-C399 HydrophobicContact CE1-CB 3.97Å; Y189-C399 WeakPolarHBondContact OH-CB 3.36Å |
| 190 | H | 98.9 | Very high | 98.6 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 50% | 0.5 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.1 | -37.3 | 175.6 | -66 | 150.6 | 0 | 0 | 0 | 112.9 | A186 V188 K193 N194 | A186-H190 PolarHBondContact O-N 2.69Å; A186-H190 PolarHBondContact O-ND1 2.91Å; V188-H190 PolarHBondContact O-N 3.01Å; H190-K193 WeakPolarHBondContact O-CB 3.32Å; H190-K193 PolarHBondContact O-N 2.88Å; H190-N194 PolarHBondContact O-N 3.39Å; H190-N194 PolarHBondContact O-ND2 3.35Å |
| 191 | N | 98.9 | Very high | 98.5 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 172.1 | -86.4 | -79.5 | 0 | 0 | 0 | 111.5 | E187 V188 K193 N194 V195 A234 | E187-N191 PolarHBondContact O-N 3.07Å; E187-N191 PolarHBondContact O-ND2 3.1Å; V188-N191 PolarHBondContact O-N 2.94Å; N191-K193 VanDerWaalsContact C-N 3.3Å; N191-K193 PolarHBondContact O-N 3.39Å; N191-N194 WeakPolarHBondContact O-CB 3.16Å; N191-N194 PolarHBondContact O-N 2.86Å; N191-N194 VanDerWaalsContact O-N 3.08Å; N191-V195 WeakPolarHBondContact O-CG2 3.36Å; N191-V195 PolarHBondContact O-N 3.26Å; N191-A234 HydrophobicContact CB-CB 4.39Å |
| 192 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 175.8 | 179.8 | 63.1 | 0 | 0 | 0 | 111.5 | V152 I153 V188 Y189 N194 V195 I196 F213 L226 L227 A230 | V152-L192 HydrophobicContact CB-CD2 3.81Å; V152-L192 HydrophobicContact CG2-CD2 3.92Å; I153-L192 HydrophobicContact CD1-CD1 4.27Å; I153-L192 HydrophobicContact CD1-CD2 4.32Å; I153-L192 HydrophobicContact CG1-CD2 3.8Å; V188-L192 WeakPolarHBondContact O-CB 3.15Å; V188-L192 PolarHBondContact O-N 2.8Å; Y189-L192 WeakPolarHBondContact O-CB 3.04Å; Y189-L192 PolarHBondContact O-N 3.49Å; L192-N194 VanDerWaalsContact C-N 3.27Å; L192-N194 PolarHBondContact O-N 3.48Å; L192-V195 PolarHBondContact O-N 3.49Å; L192-I196 HydrophobicContact CD1-CD1 3.86Å; L192-I196 HydrophobicContact CD1-CG1 4.07Å; L192-I196 HydrophobicContact CD2-CD1 4.45Å; L192-I196 HydrophobicContact CG-CD1 3.8Å; L192-I196 HydrophobicContact CG-CG1 4.38Å; L192-I196 WeakPolarHBondContact O-CB 3.16Å; L192-I196 WeakPolarHBondContact O-CG1 3.36Å; L192-I196 PolarHBondContact O-N 3.04Å; L192-F213 HydrophobicContact CB-CE2 4.34Å; L192-F213 HydrophobicContact CD2-CD2 3.86Å; L192-F213 HydrophobicContact CD2-CE2 4.29Å; L192-F213 HydrophobicContact CG-CD2 3.91Å; L192-F213 HydrophobicContact CG-CE2 4.22Å; L192-L226 HydrophobicContact CD1-CB 3.96Å; L192-L227 HydrophobicContact CD1-CD2 4.1Å; L192-L227 HydrophobicContact CD2-CD2 3.67Å; L192-A230 HydrophobicContact CB-CB 3.68Å; L192-A230 HydrophobicContact CD1-CB 3.95Å; L192-A230 HydrophobicContact CG-CB 4.41Å |
| 193 | K | 98.8 | Very high | 98.2 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 39% | 0.391 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -53.7 | -45.9 | 173.3 | -165.2 | 172.1 | -177.9 | 170.6 | 0 | 111.9 | Y189 H190 N191 K197 T205 F213 | Y189-K193 PolarHBondContact O-N 2.9Å; H190-K193 WeakPolarHBondContact O-CB 3.32Å; H190-K193 PolarHBondContact O-N 2.88Å; N191-K193 VanDerWaalsContact C-N 3.3Å; N191-K193 PolarHBondContact O-N 3.39Å; K193-K197 VanDerWaalsContact O-CB 3.24Å; K193-K197 WeakPolarHBondContact O-CB 3.4Å; K193-K197 PolarHBondContact O-N 3.17Å; K193-T205 HydrophobicContact CG-CG2 3.98Å; K193-T205 WeakPolarHBondContact O-CG2 3.34Å; K193-F213 HydrophobicContact CB-CE1 4Å; K193-F213 HydrophobicContact CB-CE2 3.77Å; K193-F213 HydrophobicContact CB-CZ 3.33Å; K193-F213 HydrophobicContact CD-CE1 3.93Å; K193-F213 HydrophobicContact CD-CZ 3.84Å; K193-F213 HydrophobicContact CG-CE1 3.65Å; K193-F213 HydrophobicContact CG-CE2 4.36Å; K193-F213 HydrophobicContact CG-CZ 3.52Å |
| 194 | N | 98.6 | Very high | 98 | Very high | 94 Ų | 94 | 57.3 Ų | 57.3 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.1 | -43.1 | -179.4 | -67.1 | -26.9 | 0 | 0 | 0 | 111.5 | H190 N191 L192 K197 E198 | H190-N194 PolarHBondContact O-N 3.39Å; H190-N194 PolarHBondContact O-ND2 3.35Å; N191-N194 WeakPolarHBondContact O-CB 3.16Å; N191-N194 PolarHBondContact O-N 2.86Å; N191-N194 VanDerWaalsContact O-N 3.08Å; L192-N194 VanDerWaalsContact C-N 3.27Å; L192-N194 PolarHBondContact O-N 3.48Å; N194-K197 PolarHBondContact O-N 2.52Å; N194-E198 VanDerWaalsContact O-CB 3.28Å; N194-E198 WeakPolarHBondContact O-CB 3.44Å; N194-E198 PolarHBondContact O-N 3.42Å |
| 195 | V | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.055 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111 | N191 L192 E198 K199 L226 T229 K233 | N191-V195 WeakPolarHBondContact O-CG2 3.36Å; N191-V195 PolarHBondContact O-N 3.26Å; L192-V195 PolarHBondContact O-N 3.49Å; V195-E198 PolarHBondContact O-N 2.91Å; V195-K199 WeakPolarHBondContact O-CB 3.04Å; V195-K199 PolarHBondContact O-N 2.65Å; V195-L226 HydrophobicContact CG1-CD2 3.69Å; V195-T229 HydrophobicContact CG1-CG2 4.1Å; V195-T229 HydrophobicContact CG2-CG2 4.02Å; V195-K233 HydrophobicContact CG2-CD 3.74Å |
| 196 | I | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 178.2 | -68.7 | 171.7 | 0 | 0 | 0 | 110.6 | L192 E198 K199 Y200 A204 T205 F213 P215 L226 | L192-I196 HydrophobicContact CD1-CD1 3.86Å; L192-I196 HydrophobicContact CD1-CG1 4.07Å; L192-I196 HydrophobicContact CD2-CD1 4.45Å; L192-I196 HydrophobicContact CG-CD1 3.8Å; L192-I196 HydrophobicContact CG-CG1 4.38Å; L192-I196 WeakPolarHBondContact O-CB 3.16Å; L192-I196 WeakPolarHBondContact O-CG1 3.36Å; L192-I196 PolarHBondContact O-N 3.04Å; I196-E198 VanDerWaalsContact C-N 3.3Å; I196-E198 PolarHBondContact O-N 3.05Å; I196-K199 PolarHBondContact O-N 2.96Å; I196-Y200 HydrophobicContact CG2-CD2 4.4Å; I196-Y200 PolarHBondContact O-N 3.41Å; I196-A204 HydrophobicContact CG2-CB 3.69Å; I196-A204 WeakPolarHBondContact CG2-O 3.26Å; I196-T205 HydrophobicContact CB-CG2 4.34Å; I196-T205 HydrophobicContact CG2-CG2 4.01Å; I196-F213 HydrophobicContact CD1-CB 3.51Å; I196-F213 HydrophobicContact CD1-CD2 3.77Å; I196-F213 HydrophobicContact CD1-CG 3.82Å; I196-P215 HydrophobicContact CD1-CG 4.25Å; I196-P215 HydrophobicContact CG2-CB 4.04Å; I196-L226 HydrophobicContact CG1-CD1 4.23Å; I196-L226 HydrophobicContact CG1-CD2 4.36Å |
| 197 | K | 98.3 | Very high | 97.8 | Very high | 115 Ų | 115 | 64.6 Ų | 64.6 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 178.3 | -173 | 178.3 | -179.7 | -171.8 | 0 | 112.2 | K193 N194 G201 K202 T205 | K193-K197 VanDerWaalsContact O-CB 3.24Å; K193-K197 WeakPolarHBondContact O-CB 3.4Å; K193-K197 PolarHBondContact O-N 3.17Å; N194-K197 PolarHBondContact O-N 2.52Å; K197-G201 CarbonylContact O-C 3.55Å; K197-G201 WeakPolarHBondContact O-CA 3.25Å; K197-G201 PolarHBondContact O-N 3.3Å; K197-K202 HydrophobicContact CG-CB 4.49Å; K197-T205 HydrophobicContact CB-CG2 3.77Å; K197-T205 HydrophobicContact CG-CG2 4.5Å |
| 198 | E | 98.1 | Very high | 97.5 | Very high | 149 Ų | 149 | 61.9 Ų | 61.9 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66 | -42.8 | 179.6 | -174.5 | 178.3 | -176.1 | 0 | 0 | 111.3 | N194 V195 I196 K233 | N194-E198 VanDerWaalsContact O-CB 3.28Å; N194-E198 WeakPolarHBondContact O-CB 3.44Å; N194-E198 PolarHBondContact O-N 3.42Å; V195-E198 PolarHBondContact O-N 2.91Å; I196-E198 VanDerWaalsContact C-N 3.3Å; I196-E198 PolarHBondContact O-N 3.05Å; E198-K233 IonicContact OE2-NZ 3.68Å; E198-K233 PolarHBondContact OE2-NZ 3.48Å; E198-K233 VanDerWaalsContact OE2-NZ 3.11Å |
| 199 | K | 97.8 | Very high | 97.2 | Very high | 114 Ų | 114 | 64.1 Ų | 64.1 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -85 | -38.5 | -175 | -169.6 | 170 | 178.8 | -178.6 | 0 | 114.3 | V195 I196 E222 L226 | V195-K199 WeakPolarHBondContact O-CB 3.04Å; V195-K199 PolarHBondContact O-N 2.65Å; I196-K199 PolarHBondContact O-N 2.96Å; K199-E222 IonicContact NZ-OE1 3.89Å; K199-E222 PolarHBondContact NZ-OE1 3.17Å; K199-E222 IonicContact NZ-OE2 3.68Å; K199-E222 PolarHBondContact NZ-OE2 3.13Å; K199-L226 HydrophobicContact CD-CD2 4.3Å |
| 200 | Y | 96.8 | Very high | 97.1 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -120.9 | 1.3 | -170.4 | -61.5 | -70.8 | 0 | 0 | 0 | 114.1 | I196 P215 I217 E222 L226 | I196-Y200 HydrophobicContact CG2-CD2 4.4Å; I196-Y200 PolarHBondContact O-N 3.41Å; Y200-P215 HydrophobicContact CD2-CB 4.37Å; Y200-I217 HydrophobicContact CE1-CG2 3.9Å; Y200-I217 HydrophobicContact CE2-CG2 3.94Å; Y200-E222 WeakPolarHBondContact OH-CG 3.34Å; Y200-E222 PolarHBondContact OH-OE1 3.25Å; Y200-L226 HydrophobicContact CE2-CD1 4.03Å; Y200-L226 HydrophobicContact CE2-CD2 4.07Å |
| 201 | G | 96.9 | Very high | 97.1 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | trans | 83.9 | 169.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K197 D203 A204 | K197-G201 CarbonylContact O-C 3.55Å; K197-G201 WeakPolarHBondContact O-CA 3.25Å; K197-G201 PolarHBondContact O-N 3.3Å; G201-D203 VanDerWaalsContact C-N 3.26Å; G201-D203 PolarHBondContact O-N 3Å; G201-A204 PolarHBondContact O-N 3.47Å | ||
| 202 | K | 95.4 | Very high | 97 | Very high | 141 Ų | 141 | 56.6 Ų | 56.6 | 61% | 0.613 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -60.9 | -33.2 | -175.2 | 67.7 | 179.9 | -176.8 | 175.2 | 0 | 113.4 | K197 A204 T205 | K197-K202 HydrophobicContact CG-CB 4.49Å; K202-A204 PolarHBondContact O-N 3.47Å; K202-T205 PolarHBondContact O-N 2.95Å; K202-T205 PolarHBondContact O-OG1 2.92Å |
| 203 | D | 94.6 | Very high | 97 | Very high | 118 Ų | 118 | 56.6 Ų | 56.6 | 63% | 0.631 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -71 | -22.8 | -173.5 | -56 | -38.3 | 0 | 0 | 0 | 111.5 | G201 T205 N206 | G201-D203 VanDerWaalsContact C-N 3.26Å; G201-D203 PolarHBondContact O-N 3Å; D203-T205 PolarHBondContact O-N 3.33Å; D203-N206 PolarHBondContact O-ND2 3.43Å |
| 204 | A | 95.6 | Very high | 97 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -74.8 | -5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I196 G201 K202 P215 | I196-A204 HydrophobicContact CG2-CB 3.69Å; I196-A204 WeakPolarHBondContact CG2-O 3.26Å; G201-A204 PolarHBondContact O-N 3.47Å; K202-A204 PolarHBondContact O-N 3.47Å; A204-P215 HydrophobicContact CB-CB 4.29Å |
| 205 | T | 96.9 | Very high | 96.8 | Very high | 20 Ų | 20 | 49 Ų | 49 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -98.8 | 10.3 | 179 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | K193 I196 K197 K202 D203 F213 | K193-T205 HydrophobicContact CG-CG2 3.98Å; K193-T205 WeakPolarHBondContact O-CG2 3.34Å; I196-T205 HydrophobicContact CB-CG2 4.34Å; I196-T205 HydrophobicContact CG2-CG2 4.01Å; K197-T205 HydrophobicContact CB-CG2 3.77Å; K197-T205 HydrophobicContact CG-CG2 4.5Å; K202-T205 PolarHBondContact O-N 2.95Å; K202-T205 PolarHBondContact O-OG1 2.92Å; D203-T205 PolarHBondContact O-N 3.33Å; T205-F213 WeakPolarHBondContact O-CD1 3.38Å; T205-F213 WeakPolarHBondContact O-CE1 3.35Å |
| 206 | N | 97.1 | Very high | 96.5 | Very high | 109 Ų | 109 | 54.2 Ų | 54.2 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | trans | -66.7 | 156.5 | 162.9 | -66.9 | -45.4 | 0 | 0 | 0 | 109.8 | D203 F213 A214 | D203-N206 PolarHBondContact O-ND2 3.43Å; N206-F213 WeakPolarHBondContact O-CA 3.44Å; N206-A214 PolarHBondContact O-N 3.12Å; N206-A214 VanDerWaalsContact O-N 3.07Å | ||
| 207 | V | 97.4 | Very high | 96.3 | Very high | 52 Ų | 52 | 54.7 Ų | 54.7 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 147.3 | -174.8 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | Y189 G211 G212 F213 | Y189-V207 WeakPolarHBondContact OH-CG1 3.42Å; V207-G211 VanDerWaalsContact CG1-O 3.26Å; V207-G211 WeakPolarHBondContact CG1-O 3.4Å; V207-G212 CarbonylContact C-O 3.5Å; V207-G212 WeakPolarHBondContact CA-O 3.15Å; V207-G212 WeakPolarHBondContact CB-O 3.31Å; V207-F213 HydrophobicContact CG1-CD1 4.16Å; V207-F213 HydrophobicContact CG1-CE1 4.2Å |
| 208 | G | 94.2 | Very high | 96.1 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | trans | -77.3 | -167.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E210 G211 G212 | G208-E210 PolarHBondContact O-N 3.16Å; G208-E210 VanDerWaalsContact O-N 3.13Å; G208-G211 PolarHBondContact O-N 2.83Å; G208-G212 PolarHBondContact N-O 3.5Å | ||
| 209 | D | 92.6 | Very high | 95.9 | Very high | 47 Ų | 47 | 51.2 Ų | 51.2 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.2 | -177.3 | -80.1 | -7.1 | 0 | 0 | 0 | 112.8 | R15 H158 R400 R403 | R15-D209 WeakPolarHBondContact CD-OD2 3.44Å; H158-D209 PolarHBondContact O-N 3.08Å; D209-R400 PolarHBondContact O-NE 3.08Å; D209-R403 PolarHBondContact O-NH2 3.47Å |
| 210 | E | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 8.4 | -173 | -54.9 | -165.5 | 162.6 | 0 | 0 | 114.5 | N151 H158 G208 G212 H371 S373 A397 | N151-E210 PolarHBondContact ND2-OE2 2.77Å; H158-E210 IonicContact CE1-OE1 3.68Å; H158-E210 PolarHBondContact CE1-OE1 3.37Å; H158-E210 VanDerWaalsContact CE1-OE1 3.3Å; H158-E210 IonicContact ND1-OE1 2.78Å; G208-E210 PolarHBondContact O-N 3.16Å; G208-E210 VanDerWaalsContact O-N 3.13Å; E210-G212 VanDerWaalsContact C-N 3.33Å; E210-H371 IonicContact OE1-CE1 2.97Å; E210-H371 PolarHBondContact OE1-CE1 3.19Å; E210-H371 IonicContact OE1-NE2 3.25Å; E210-H371 IonicContact OE2-CE1 2.83Å; E210-H371 PolarHBondContact OE2-CE1 3.5Å; E210-H371 IonicContact OE2-NE2 3.08Å; E210-H371 PolarHBondContact OE2-NE2 2.81Å; E210-S373 WeakPolarHBondContact OE1-CA 3.39Å; E210-S373 WeakPolarHBondContact OE1-CB 3.47Å; E210-A397 WeakPolarHBondContact O-CB 3.24Å; E210-A397 PolarHBondContact O-N 2.99Å |
| 211 | G | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 86.9 | -5.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y189 V207 G208 A397 | Y189-G211 WeakPolarHBondContact CE2-O 3.32Å; Y189-G211 PolarHBondContact OH-O 2.94Å; V207-G211 VanDerWaalsContact CG1-O 3.26Å; V207-G211 WeakPolarHBondContact CG1-O 3.4Å; G208-G211 PolarHBondContact O-N 2.83Å; G211-A397 WeakPolarHBondContact O-CB 3.48Å |
| 212 | G | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -70.5 | 154.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N151 V152 N154 V207 G208 E210 | N151-G212 WeakPolarHBondContact O-CA 3.42Å; V152-G212 CarbonylContact O-C 3.57Å; V152-G212 WeakPolarHBondContact O-CA 3.47Å; N154-G212 WeakPolarHBondContact OD1-CA 3.46Å; N154-G212 PolarHBondContact OD1-N 3.39Å; N154-G212 PolarHBondContact OD1-O 2.64Å; N154-G212 VanDerWaalsContact OD1-O 3.14Å; V207-G212 CarbonylContact C-O 3.5Å; V207-G212 WeakPolarHBondContact CA-O 3.15Å; V207-G212 WeakPolarHBondContact CB-O 3.31Å; G208-G212 PolarHBondContact N-O 3.5Å; E210-G212 VanDerWaalsContact C-N 3.33Å | ||
| 213 | F | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -69.4 | 147.9 | 177.3 | -61.4 | -64.2 | 0 | 0 | 0 | 111.2 | V152 I153 N154 Y189 L192 K193 I196 T205 N206 V207 P215 | V152-F213 PolarHBondContact O-N 3.1Å; I153-F213 CarbonylContact C-O 3.56Å; I153-F213 WeakPolarHBondContact CA-O 3.49Å; N154-F213 PolarHBondContact N-O 3.06Å; Y189-F213 HydrophobicContact CD1-CE2 4.48Å; Y189-F213 HydrophobicContact CD1-CZ 4.33Å; Y189-F213 HydrophobicContact CD2-CD2 4.35Å; Y189-F213 AromaticContact CD2-CE2 3.65Å; Y189-F213 HydrophobicContact CD2-CE2 3.65Å; Y189-F213 HydrophobicContact CD2-CZ 4.16Å; Y189-F213 HydrophobicContact CE1-CE2 4.2Å; Y189-F213 AromaticContact CE1-CZ 3.72Å; Y189-F213 HydrophobicContact CE1-CZ 3.72Å; Y189-F213 AromaticContact CE2-CD2 3.92Å; Y189-F213 HydrophobicContact CE2-CD2 3.92Å; Y189-F213 HydrophobicContact CE2-CE1 4.35Å; Y189-F213 AromaticContact CE2-CE2 3.34Å; Y189-F213 HydrophobicContact CE2-CE2 3.34Å; Y189-F213 AromaticContact CE2-CZ 3.57Å; Y189-F213 HydrophobicContact CE2-CZ 3.57Å; Y189-F213 HydrophobicContact CG-CE2 4.23Å; Y189-F213 AromaticContact CZ-CE1 3.95Å; Y189-F213 AromaticContact CZ-CE2 3.65Å; Y189-F213 AromaticContact CZ-CZ 3.31Å; Y189-F213 WeakPolarHBondContact O-CE2 3.41Å; Y189-F213 WeakPolarHBondContact OH-CZ 3.48Å; L192-F213 HydrophobicContact CB-CE2 4.34Å; L192-F213 HydrophobicContact CD2-CD2 3.86Å; L192-F213 HydrophobicContact CD2-CE2 4.29Å; L192-F213 HydrophobicContact CG-CD2 3.91Å; L192-F213 HydrophobicContact CG-CE2 4.22Å; K193-F213 HydrophobicContact CB-CE1 4Å; K193-F213 HydrophobicContact CB-CE2 3.77Å; K193-F213 HydrophobicContact CB-CZ 3.33Å; K193-F213 HydrophobicContact CD-CE1 3.93Å; K193-F213 HydrophobicContact CD-CZ 3.84Å; K193-F213 HydrophobicContact CG-CE1 3.65Å; K193-F213 HydrophobicContact CG-CE2 4.36Å; K193-F213 HydrophobicContact CG-CZ 3.52Å; I196-F213 HydrophobicContact CD1-CB 3.51Å; I196-F213 HydrophobicContact CD1-CD2 3.77Å; I196-F213 HydrophobicContact CD1-CG 3.82Å; T205-F213 WeakPolarHBondContact O-CD1 3.38Å; T205-F213 WeakPolarHBondContact O-CE1 3.35Å; N206-F213 WeakPolarHBondContact O-CA 3.44Å; V207-F213 HydrophobicContact CG1-CD1 4.16Å; V207-F213 HydrophobicContact CG1-CE1 4.2Å; F213-P215 WeakPolarHBondContact O-CD 3.47Å |
| 214 | A | 97.1 | Very high | 96.2 | Very high | 25 Ų | 25 | 35 Ų | 35 | 21% | 0.207 | 19% | 0.186 | C | C | . | . | trans | -115.7 | 63.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A159 N206 | A159-A214 HydrophobicContact CB-CB 3.75Å; N206-A214 PolarHBondContact O-N 3.12Å; N206-A214 VanDerWaalsContact O-N 3.07Å | ||
| 215 | P | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -64.6 | 148.7 | 177.7 | 29.9 | -34.1 | 0 | 0 | 0 | 110.5 | I153 N161 I196 Y200 A204 F213 I217 L226 | I153-P215 HydrophobicContact CG2-CG 4.11Å; N161-P215 VanDerWaalsContact CB-O 3.24Å; N161-P215 WeakPolarHBondContact CB-O 3.15Å; N161-P215 PolarHBondContact ND2-O 3.21Å; I196-P215 HydrophobicContact CD1-CG 4.25Å; I196-P215 HydrophobicContact CG2-CB 4.04Å; Y200-P215 HydrophobicContact CD2-CB 4.37Å; A204-P215 HydrophobicContact CB-CB 4.29Å; F213-P215 WeakPolarHBondContact O-CD 3.47Å; P215-I217 HydrophobicContact CB-CG2 4.31Å; P215-I217 HydrophobicContact CG-CD1 4.08Å; P215-I217 HydrophobicContact CG-CG1 4.12Å; P215-I217 PolarHBondContact O-N 3.5Å; P215-L226 HydrophobicContact CG-CD1 4.4Å | ||
| 216 | N | 91.8 | Very high | 96.4 | Very high | 118 Ų | 118 | 36.5 Ų | 36.5 | 63% | 0.631 | 19% | 0.19 | S | C | * | . | trans | -80.1 | 66 | 179.3 | -169 | 30 | 0 | 0 | 0 | 111.5 | ||||
| 217 | I | 94.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.046 | 16% | 0.162 | C | C | . | . | trans | -108.5 | 150.8 | 176.1 | 60.7 | 174.6 | 0 | 0 | 0 | 109.7 | K162 L163 Y200 P215 E222 L226 | K162-I217 CarbonylContact C-O 3.55Å; L163-I217 WeakPolarHBondContact CA-O 3.47Å; L163-I217 HydrophobicContact CB-CG1 4.31Å; L163-I217 WeakPolarHBondContact CB-O 3.43Å; L163-I217 HydrophobicContact CD1-CD1 4.17Å; L163-I217 HydrophobicContact CD1-CG1 4.13Å; L163-I217 HydrophobicContact CD2-CD1 4.05Å; L163-I217 HydrophobicContact CD2-CG1 4.11Å; L163-I217 HydrophobicContact CG-CG1 4.44Å; L163-I217 PolarHBondContact N-O 2.84Å; Y200-I217 HydrophobicContact CE1-CG2 3.9Å; Y200-I217 HydrophobicContact CE2-CG2 3.94Å; P215-I217 HydrophobicContact CB-CG2 4.31Å; P215-I217 HydrophobicContact CG-CD1 4.08Å; P215-I217 HydrophobicContact CG-CG1 4.12Å; P215-I217 PolarHBondContact O-N 3.5Å; I217-E222 HydrophobicContact CB-CG 4.22Å; I217-E222 HydrophobicContact CD1-CB 4.39Å; I217-E222 HydrophobicContact CD1-CG 4.22Å; I217-E222 HydrophobicContact CG2-CG 3.79Å; I217-L226 HydrophobicContact CD1-CD1 4.21Å | ||
| 218 | L | 93.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 33.6 Ų | 33.6 | 34% | 0.335 | 17% | 0.168 | S | C | . | . | trans | -103.7 | -49.3 | 174.8 | 172.9 | 63.2 | 0 | 0 | 0 | 110.5 | K162 N220 D260 | K162-L218 HydrophobicContact CB-CB 4.08Å; K162-L218 HydrophobicContact CB-CD1 3.86Å; K162-L218 HydrophobicContact CD-CD1 4.46Å; L218-N220 PolarHBondContact O-N 2.76Å; L218-D260 HydrophobicContact CD1-CB 3.83Å; L218-D260 WeakPolarHBondContact CD1-OD1 3.31Å | ||
| 219 | E | 95.3 | Very high | 96.7 | Very high | 127 Ų | 127 | 36 Ų | 36 | 59% | 0.593 | 18% | 0.181 | S | C | * | . | trans | -69.9 | 120.8 | -175.7 | -66 | -63.7 | 161.4 | 0 | 0 | 112.2 | K221 E222 | E219-K221 PolarHBondContact O-N 2.7Å; E219-E222 HydrophobicContact CB-CB 4.21Å; E219-E222 VanDerWaalsContact O-CB 3.32Å; E219-E222 WeakPolarHBondContact O-CB 3.44Å; E219-E222 PolarHBondContact O-N 3.16Å | ||
| 220 | N | 95.6 | Very high | 97 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -31.5 | 177.3 | -58.2 | -68.5 | 0 | 0 | 0 | 112.4 | L163 M165 F168 L218 E222 G223 L224 F283 | L163-N220 HydrophobicContact CD1-CB 4.38Å; L163-N220 VanDerWaalsContact CD1-OD1 3.25Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.46Å; M165-N220 VanDerWaalsContact CB-OD1 3.31Å; M165-N220 WeakPolarHBondContact CB-OD1 3.36Å; M165-N220 HydrophobicContact CE-CB 4.04Å; M165-N220 HydrophobicContact CG-CB 4.32Å; M165-N220 WeakPolarHBondContact CG-OD1 3.27Å; M165-N220 PolarHBondContact N-OD1 3.36Å; M165-N220 HydrophobicContact SD-CB 3.63Å; F168-N220 HydrophobicContact CE1-CB 4.43Å; F168-N220 WeakPolarHBondContact CE1-O 3.47Å; F168-N220 HydrophobicContact CZ-CB 4.03Å; L218-N220 PolarHBondContact O-N 2.76Å; N220-E222 VanDerWaalsContact C-N 3.27Å; N220-E222 PolarHBondContact O-N 3.38Å; N220-G223 PolarHBondContact O-N 2.97Å; N220-G223 VanDerWaalsContact O-N 3.14Å; N220-L224 PolarHBondContact O-N 2.7Å; N220-F283 HydrophobicContact CB-CE2 4.13Å; N220-F283 HydrophobicContact CB-CZ 3.96Å |
| 221 | K | 97.1 | Very high | 97.1 | Very high | 92 Ų | 92 | 34 Ų | 34 | 40% | 0.4 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.1 | -36.3 | 174.5 | -170.5 | 172.5 | -177 | 164.2 | 0 | 112.5 | E219 G223 L224 E225 F283 D286 Y287 | E219-K221 PolarHBondContact O-N 2.7Å; K221-G223 VanDerWaalsContact C-N 3.31Å; K221-G223 PolarHBondContact O-N 2.65Å; K221-L224 PolarHBondContact O-N 3.48Å; K221-E225 PolarHBondContact O-N 2.69Å; K221-F283 HydrophobicContact CB-CE1 4.13Å; K221-D286 IonicContact NZ-OD2 2.73Å; K221-Y287 WeakPolarHBondContact CE-OH 3.33Å; K221-Y287 HydrophobicContact CG-CE2 4.14Å; K221-Y287 WeakPolarHBondContact CG-OH 3.39Å |
| 222 | E | 97.6 | Very high | 97.2 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | 176.9 | 176.9 | 59.5 | -133.6 | 0 | 0 | 111.1 | K199 Y200 I217 E219 N220 L224 E225 L226 | K199-E222 IonicContact NZ-OE1 3.89Å; K199-E222 PolarHBondContact NZ-OE1 3.17Å; K199-E222 IonicContact NZ-OE2 3.68Å; K199-E222 PolarHBondContact NZ-OE2 3.13Å; Y200-E222 WeakPolarHBondContact OH-CG 3.34Å; Y200-E222 PolarHBondContact OH-OE1 3.25Å; I217-E222 HydrophobicContact CB-CG 4.22Å; I217-E222 HydrophobicContact CD1-CB 4.39Å; I217-E222 HydrophobicContact CD1-CG 4.22Å; I217-E222 HydrophobicContact CG2-CG 3.79Å; E219-E222 HydrophobicContact CB-CB 4.21Å; E219-E222 VanDerWaalsContact O-CB 3.32Å; E219-E222 WeakPolarHBondContact O-CB 3.44Å; E219-E222 PolarHBondContact O-N 3.16Å; N220-E222 VanDerWaalsContact C-N 3.27Å; N220-E222 PolarHBondContact O-N 3.38Å; E222-L224 VanDerWaalsContact C-N 3.32Å; E222-L224 PolarHBondContact O-N 2.99Å; E222-E225 PolarHBondContact O-N 2.69Å; E222-L226 VanDerWaalsContact O-CG 3.31Å; E222-L226 WeakPolarHBondContact O-CG 3.13Å; E222-L226 PolarHBondContact O-N 3Å; E222-L226 WeakPolarHBondContact OE1-CG 2.86Å |
| 223 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N220 K221 L226 L227 | N220-G223 PolarHBondContact O-N 2.97Å; N220-G223 VanDerWaalsContact O-N 3.14Å; K221-G223 VanDerWaalsContact C-N 3.31Å; K221-G223 PolarHBondContact O-N 2.65Å; G223-L226 PolarHBondContact O-N 3.37Å; G223-L227 WeakPolarHBondContact O-CG 3.26Å; G223-L227 PolarHBondContact O-N 2.79Å; G223-L227 VanDerWaalsContact O-N 3.14Å |
| 224 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67 | -38.7 | 177.3 | -65 | 171.9 | 0 | 0 | 0 | 112.9 | F168 N220 K221 E222 L227 K228 I242 M244 F283 Y287 V289 | F168-L224 HydrophobicContact CD1-CD2 3.94Å; F168-L224 HydrophobicContact CD1-CG 4.18Å; F168-L224 HydrophobicContact CE1-CD2 4.29Å; F168-L224 HydrophobicContact CE1-CG 4.09Å; N220-L224 PolarHBondContact O-N 2.7Å; K221-L224 PolarHBondContact O-N 3.48Å; E222-L224 VanDerWaalsContact C-N 3.32Å; E222-L224 PolarHBondContact O-N 2.99Å; L224-L227 PolarHBondContact O-N 2.89Å; L224-K228 WeakPolarHBondContact O-CB 3.29Å; L224-K228 PolarHBondContact O-N 3.03Å; L224-I242 HydrophobicContact CD2-CD1 4.17Å; L224-I242 HydrophobicContact CD2-CG2 3.77Å; L224-M244 HydrophobicContact CD1-SD 4.25Å; L224-M244 HydrophobicContact CD2-CG 4.49Å; L224-M244 HydrophobicContact CD2-SD 3.98Å; L224-F283 HydrophobicContact CD1-CB 3.77Å; L224-F283 HydrophobicContact CD1-CD1 3.76Å; L224-F283 HydrophobicContact CD1-CD2 3.78Å; L224-F283 HydrophobicContact CD1-CE1 4.27Å; L224-F283 HydrophobicContact CD1-CE2 4.27Å; L224-F283 HydrophobicContact CD1-CG 3.5Å; L224-F283 VanDerWaalsContact CD1-CG 3.5Å; L224-Y287 HydrophobicContact CB-CD1 3.78Å; L224-Y287 HydrophobicContact CB-CD2 3.95Å; L224-Y287 HydrophobicContact CB-CE1 3.78Å; L224-Y287 HydrophobicContact CB-CE2 3.94Å; L224-Y287 HydrophobicContact CB-CG 3.89Å; L224-Y287 HydrophobicContact CD1-CD2 3.57Å; L224-Y287 HydrophobicContact CD1-CE2 3.83Å; L224-Y287 HydrophobicContact CD1-CG 4.13Å; L224-Y287 HydrophobicContact CG-CD2 4.33Å; L224-Y287 HydrophobicContact CG-CG 4.47Å; L224-V289 HydrophobicContact CD2-CG2 4.07Å |
| 225 | E | 98.5 | Very high | 97.3 | Very high | 63 Ų | 63 | 43.7 Ų | 43.7 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 174.9 | -73.9 | -59.5 | 159.1 | 0 | 0 | 112.6 | K221 E222 K228 T229 Y287 | K221-E225 PolarHBondContact O-N 2.69Å; E222-E225 PolarHBondContact O-N 2.69Å; E225-K228 PolarHBondContact O-N 3.25Å; E225-T229 WeakPolarHBondContact O-CB 3.49Å; E225-T229 PolarHBondContact O-N 2.95Å; E225-T229 PolarHBondContact O-OG1 2.87Å; E225-Y287 VanDerWaalsContact CD-OH 3.27Å; E225-Y287 HydrophobicContact CG-CE1 4.11Å; E225-Y287 WeakPolarHBondContact CG-OH 3.02Å; E225-Y287 WeakPolarHBondContact OE1-CE1 3.23Å; E225-Y287 PolarHBondContact OE1-OH 2.7Å |
| 226 | L | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.8 | -69.6 | 169 | 0 | 0 | 0 | 111.3 | I153 L192 V195 I196 K199 Y200 P215 I217 E222 G223 T229 A230 | I153-L226 HydrophobicContact CD1-CB 4.09Å; I153-L226 HydrophobicContact CD1-CD1 4.31Å; L192-L226 HydrophobicContact CD1-CB 3.96Å; V195-L226 HydrophobicContact CG1-CD2 3.69Å; I196-L226 HydrophobicContact CG1-CD1 4.23Å; I196-L226 HydrophobicContact CG1-CD2 4.36Å; K199-L226 HydrophobicContact CD-CD2 4.3Å; Y200-L226 HydrophobicContact CE2-CD1 4.03Å; Y200-L226 HydrophobicContact CE2-CD2 4.07Å; P215-L226 HydrophobicContact CG-CD1 4.4Å; I217-L226 HydrophobicContact CD1-CD1 4.21Å; E222-L226 VanDerWaalsContact O-CG 3.31Å; E222-L226 WeakPolarHBondContact O-CG 3.13Å; E222-L226 PolarHBondContact O-N 3Å; E222-L226 WeakPolarHBondContact OE1-CG 2.86Å; G223-L226 PolarHBondContact O-N 3.37Å; L226-T229 PolarHBondContact O-N 2.81Å; L226-A230 WeakPolarHBondContact O-CB 3.32Å; L226-A230 PolarHBondContact O-N 3.12Å |
| 227 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 176 | -66.7 | -165 | 0 | 0 | 0 | 112.1 | V152 I153 F168 I170 L192 G223 L224 T229 A230 I231 I242 | V152-L227 HydrophobicContact CG2-CD1 4.34Å; V152-L227 HydrophobicContact CG2-CD2 3.46Å; V152-L227 VanDerWaalsContact CG2-CD2 3.46Å; I153-L227 HydrophobicContact CD1-CD2 3.7Å; I153-L227 HydrophobicContact CD1-CG 4.03Å; I153-L227 HydrophobicContact CG1-CD2 3.99Å; F168-L227 HydrophobicContact CB-CD1 3.77Å; I170-L227 HydrophobicContact CG2-CD1 4.13Å; I170-L227 HydrophobicContact CG2-CD2 4.36Å; L192-L227 HydrophobicContact CD1-CD2 4.1Å; L192-L227 HydrophobicContact CD2-CD2 3.67Å; G223-L227 WeakPolarHBondContact O-CG 3.26Å; G223-L227 PolarHBondContact O-N 2.79Å; G223-L227 VanDerWaalsContact O-N 3.14Å; L224-L227 PolarHBondContact O-N 2.89Å; L227-T229 VanDerWaalsContact C-N 3.27Å; L227-T229 PolarHBondContact O-N 2.88Å; L227-A230 PolarHBondContact O-N 2.96Å; L227-A230 VanDerWaalsContact O-N 3.15Å; L227-I231 WeakPolarHBondContact O-CB 3.36Å; L227-I231 WeakPolarHBondContact O-CD1 3.41Å; L227-I231 WeakPolarHBondContact O-CG1 3.24Å; L227-I231 PolarHBondContact O-N 2.88Å; L227-I242 HydrophobicContact CB-CD1 3.93Å; L227-I242 HydrophobicContact CD1-CD1 4.19Å; L227-I242 HydrophobicContact CD1-CG1 4.25Å; L227-I242 HydrophobicContact CD1-CG2 4.21Å |
| 228 | K | 98.6 | Very high | 97.9 | Very high | 100 Ų | 100 | 50.3 Ų | 50.3 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.5 | -44.9 | 177.1 | -179.2 | 179.4 | 177.1 | 179.2 | 0 | 111.4 | L224 E225 G232 Y287 | L224-K228 WeakPolarHBondContact O-CB 3.29Å; L224-K228 PolarHBondContact O-N 3.03Å; E225-K228 PolarHBondContact O-N 3.25Å; K228-G232 PolarHBondContact O-N 2.78Å; K228-Y287 HydrophobicContact CB-CD1 4.48Å; K228-Y287 HydrophobicContact CD-CD1 4.1Å; K228-Y287 HydrophobicContact CD-CE1 4.13Å |
| 229 | T | 98.7 | Very high | 98.1 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 36% | 0.362 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 177.1 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | V195 E225 L226 L227 G232 K233 | V195-T229 HydrophobicContact CG1-CG2 4.1Å; V195-T229 HydrophobicContact CG2-CG2 4.02Å; E225-T229 WeakPolarHBondContact O-CB 3.49Å; E225-T229 PolarHBondContact O-N 2.95Å; E225-T229 PolarHBondContact O-OG1 2.87Å; L226-T229 PolarHBondContact O-N 2.81Å; L227-T229 VanDerWaalsContact C-N 3.27Å; L227-T229 PolarHBondContact O-N 2.88Å; T229-G232 PolarHBondContact O-N 2.97Å; T229-K233 WeakPolarHBondContact O-CG 3.28Å; T229-K233 PolarHBondContact O-N 2.86Å |
| 230 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V188 L192 L226 L227 G232 K233 A234 | V188-A230 HydrophobicContact CG1-CB 4.31Å; L192-A230 HydrophobicContact CB-CB 3.68Å; L192-A230 HydrophobicContact CD1-CB 3.95Å; L192-A230 HydrophobicContact CG-CB 4.41Å; L226-A230 WeakPolarHBondContact O-CB 3.32Å; L226-A230 PolarHBondContact O-N 3.12Å; L227-A230 PolarHBondContact O-N 2.96Å; L227-A230 VanDerWaalsContact O-N 3.15Å; A230-G232 VanDerWaalsContact C-N 3.34Å; A230-K233 PolarHBondContact O-N 3.05Å; A230-A234 WeakPolarHBondContact O-CB 3.48Å; A230-A234 PolarHBondContact O-N 3.47Å |
| 231 | I | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175 | -68 | 163.4 | 0 | 0 | 0 | 110.3 | I170 V188 L227 A234 G235 Y236 V240 I242 | I170-I231 HydrophobicContact CG2-CD1 4.16Å; I170-I231 HydrophobicContact CG2-CG1 4.49Å; V188-I231 HydrophobicContact CG1-CG1 3.81Å; V188-I231 HydrophobicContact CG2-CG1 4.46Å; L227-I231 WeakPolarHBondContact O-CB 3.36Å; L227-I231 WeakPolarHBondContact O-CD1 3.41Å; L227-I231 WeakPolarHBondContact O-CG1 3.24Å; L227-I231 PolarHBondContact O-N 2.88Å; I231-A234 PolarHBondContact O-N 2.85Å; I231-G235 PolarHBondContact O-N 3.21Å; I231-G235 VanDerWaalsContact O-N 3.17Å; I231-Y236 PolarHBondContact O-N 2.92Å; I231-Y236 VanDerWaalsContact O-N 3.13Å; I231-V240 HydrophobicContact CD1-CB 4.29Å; I231-V240 HydrophobicContact CD1-CG1 3.68Å; I231-V240 HydrophobicContact CG1-CB 4.29Å; I231-V240 HydrophobicContact CG1-CG1 3.9Å; I231-V240 HydrophobicContact CG2-CB 4.08Å; I231-I242 HydrophobicContact CD1-CD1 4.45Å; I231-I242 HydrophobicContact CD1-CG1 4.28Å |
| 232 | G | 98.8 | Very high | 98.6 | Very high | 39 Ų | 39 | 41 Ų | 41 | 40% | 0.402 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K228 T229 A230 A234 G235 | K228-G232 PolarHBondContact O-N 2.78Å; T229-G232 PolarHBondContact O-N 2.97Å; A230-G232 VanDerWaalsContact C-N 3.34Å; G232-A234 VanDerWaalsContact C-N 3.26Å; G232-A234 PolarHBondContact O-N 2.82Å; G232-G235 PolarHBondContact O-N 3.29Å |
| 233 | K | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 39 Ų | 39 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -33.4 | 176.5 | -76.1 | -168.3 | 179.8 | -172.5 | 0 | 112.5 | V195 E198 T229 A230 G235 | V195-K233 HydrophobicContact CG2-CD 3.74Å; E198-K233 IonicContact OE2-NZ 3.68Å; E198-K233 PolarHBondContact OE2-NZ 3.48Å; E198-K233 VanDerWaalsContact OE2-NZ 3.11Å; T229-K233 WeakPolarHBondContact O-CG 3.28Å; T229-K233 PolarHBondContact O-N 2.86Å; A230-K233 PolarHBondContact O-N 3.05Å; K233-G235 VanDerWaalsContact C-N 3.29Å |
| 234 | A | 98.6 | Very high | 98.7 | Very high | 17 Ų | 17 | 39 Ų | 39 | 14% | 0.14 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -78.2 | -10.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V188 N191 A230 I231 G232 Y236 | V188-A234 HydrophobicContact CG2-CB 3.8Å; N191-A234 HydrophobicContact CB-CB 4.39Å; A230-A234 WeakPolarHBondContact O-CB 3.48Å; A230-A234 PolarHBondContact O-N 3.47Å; I231-A234 PolarHBondContact O-N 2.85Å; G232-A234 VanDerWaalsContact C-N 3.26Å; G232-A234 PolarHBondContact O-N 2.82Å; A234-Y236 HydrophobicContact CB-CD2 3.71Å; A234-Y236 HydrophobicContact CB-CE2 4.19Å; A234-Y236 VanDerWaalsContact O-CD2 3.31Å; A234-Y236 WeakPolarHBondContact O-CD2 3.14Å; A234-Y236 WeakPolarHBondContact O-CE2 3.34Å |
| 235 | G | 98.6 | Very high | 98.7 | Very high | 61 Ų | 61 | 39 Ų | 39 | 63% | 0.629 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 25.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I231 G232 K233 | I231-G235 PolarHBondContact O-N 3.21Å; I231-G235 VanDerWaalsContact O-N 3.17Å; G232-G235 PolarHBondContact O-N 3.29Å; K233-G235 VanDerWaalsContact C-N 3.29Å |
| 236 | Y | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 36 Ų | 36 | 11% | 0.106 | 21% | 0.21 | C | C | . | . | trans | -119.3 | 23.1 | -173.2 | -63.5 | -57.8 | 0 | 0 | 0 | 115.4 | R183 I184 E187 V188 I231 A234 D238 K239 V240 | R183-Y236 PolarHBondContact NH1-OH 3.46Å; I184-Y236 HydrophobicContact CB-CD2 4.44Å; I184-Y236 HydrophobicContact CB-CE2 4.42Å; I184-Y236 HydrophobicContact CD1-CD1 4.16Å; I184-Y236 HydrophobicContact CD1-CE1 4.15Å; I184-Y236 HydrophobicContact CG1-CD1 4.02Å; I184-Y236 HydrophobicContact CG1-CD2 4.4Å; I184-Y236 HydrophobicContact CG1-CE1 3.75Å; I184-Y236 HydrophobicContact CG1-CE2 4.16Å; I184-Y236 HydrophobicContact CG1-CG 4.34Å; I184-Y236 HydrophobicContact CG2-CD1 4.29Å; I184-Y236 HydrophobicContact CG2-CD2 3.8Å; I184-Y236 HydrophobicContact CG2-CE2 4.27Å; I184-Y236 HydrophobicContact CG2-CG 3.82Å; E187-Y236 HydrophobicContact CB-CE2 4.09Å; E187-Y236 WeakPolarHBondContact OE2-CE2 3.4Å; E187-Y236 VanDerWaalsContact OE2-CZ 3.24Å; E187-Y236 PolarHBondContact OE2-OH 3.18Å; V188-Y236 HydrophobicContact CG2-CD2 3.98Å; I231-Y236 PolarHBondContact O-N 2.92Å; I231-Y236 VanDerWaalsContact O-N 3.13Å; A234-Y236 HydrophobicContact CB-CD2 3.71Å; A234-Y236 HydrophobicContact CB-CE2 4.19Å; A234-Y236 VanDerWaalsContact O-CD2 3.31Å; A234-Y236 WeakPolarHBondContact O-CD2 3.14Å; A234-Y236 WeakPolarHBondContact O-CE2 3.34Å; Y236-D238 VanDerWaalsContact C-N 3.26Å; Y236-D238 PolarHBondContact O-N 3.09Å; Y236-K239 HydrophobicContact CD1-CD 4.21Å; Y236-K239 PolarHBondContact O-N 2.9Å; Y236-V240 PolarHBondContact O-N 2.94Å | ||
| 237 | T | 98.4 | Very high | 98.6 | Very high | 93 Ų | 93 | 36 Ų | 36 | 57% | 0.571 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -40.4 | -178.7 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | K239 | T237-K239 VanDerWaalsContact C-N 3.31Å; T237-K239 PolarHBondContact O-N 2.94Å |
| 238 | D | 97.9 | Very high | 98.6 | Very high | 145 Ų | 145 | 36 Ų | 36 | 78% | 0.775 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -4.7 | -178.1 | -57.4 | -39.5 | 0 | 0 | 0 | 114.1 | Y236 R426 | Y236-D238 VanDerWaalsContact C-N 3.26Å; Y236-D238 PolarHBondContact O-N 3.09Å; D238-R426 PolarHBondContact O-NH2 3.19Å; D238-R426 VanDerWaalsContact O-NH2 3.12Å |
| 239 | K | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 32 Ų | 32 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -22.8 | -174.7 | -70.3 | -168.6 | 172.7 | -178.6 | 0 | 114.1 | P172 V173 G174 E180 I184 Y236 T237 | P172-K239 CarbonylContact C-O 3.21Å; P172-K239 WeakPolarHBondContact CA-O 3.44Å; V173-K239 PolarHBondContact N-O 2.73Å; V173-K239 VanDerWaalsContact N-O 3.16Å; G174-K239 PolarHBondContact N-O 2.82Å; E180-K239 IonicContact OE1-NZ 3.72Å; E180-K239 PolarHBondContact OE1-NZ 2.89Å; I184-K239 HydrophobicContact CD1-CB 4.43Å; I184-K239 HydrophobicContact CD1-CD 3.77Å; Y236-K239 HydrophobicContact CD1-CD 4.21Å; Y236-K239 PolarHBondContact O-N 2.9Å; T237-K239 VanDerWaalsContact C-N 3.31Å; T237-K239 PolarHBondContact O-N 2.94Å |
| 240 | V | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | trans | -115.9 | 128.7 | -173.2 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | I170 L171 P172 I184 V188 I231 Y236 | I170-V240 HydrophobicContact CB-CG1 3.72Å; I170-V240 HydrophobicContact CG2-CG1 4.11Å; L171-V240 WeakPolarHBondContact O-CA 3.35Å; P172-V240 HydrophobicContact CB-CG2 4.4Å; I184-V240 HydrophobicContact CG2-CG2 3.37Å; V188-V240 HydrophobicContact CG2-CG2 4.45Å; I231-V240 HydrophobicContact CD1-CB 4.29Å; I231-V240 HydrophobicContact CD1-CG1 3.68Å; I231-V240 HydrophobicContact CG1-CB 4.29Å; I231-V240 HydrophobicContact CG1-CG1 3.9Å; I231-V240 HydrophobicContact CG2-CB 4.08Å; Y236-V240 PolarHBondContact O-N 2.94Å | ||
| 241 | V | 98.9 | Very high | 98.4 | Very high | 25 Ų | 25 | 31.8 Ų | 31.8 | 15% | 0.152 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 170.1 | 171.6 | -62.1 | 0 | 0 | 0 | 0 | 109.7 | L171 V173 P288 V290 | L171-V241 HydrophobicContact CB-CG2 3.8Å; L171-V241 PolarHBondContact N-O 2.97Å; L171-V241 PolarHBondContact O-N 3.26Å; V173-V241 HydrophobicContact CB-CG2 4.37Å; V173-V241 HydrophobicContact CG1-CG2 3.67Å; V173-V241 HydrophobicContact CG2-CB 4.45Å; V173-V241 HydrophobicContact CG2-CG1 3.9Å; V173-V241 HydrophobicContact CG2-CG2 3.74Å; V241-P288 WeakPolarHBondContact CB-O 2.83Å; V241-P288 HydrophobicContact CG1-CB 4.43Å; V241-V290 HydrophobicContact CB-CG1 3.89Å; V241-V290 HydrophobicContact CB-CG2 3.88Å; V241-V290 HydrophobicContact CG1-CG1 4.06Å; V241-V290 HydrophobicContact CG2-CB 4.42Å; V241-V290 HydrophobicContact CG2-CG1 4.17Å; V241-V290 HydrophobicContact CG2-CG2 3.38Å |
| 242 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.4 | -175.2 | -64.7 | 172.5 | 0 | 0 | 0 | 110.5 | M169 L224 L227 I231 M244 P288 V289 V290 | M169-I242 VanDerWaalsContact O-CA 3.31Å; M169-I242 WeakPolarHBondContact O-CA 3.19Å; M169-I242 WeakPolarHBondContact O-CG2 3.34Å; L224-I242 HydrophobicContact CD2-CD1 4.17Å; L224-I242 HydrophobicContact CD2-CG2 3.77Å; L227-I242 HydrophobicContact CB-CD1 3.93Å; L227-I242 HydrophobicContact CD1-CD1 4.19Å; L227-I242 HydrophobicContact CD1-CG1 4.25Å; L227-I242 HydrophobicContact CD1-CG2 4.21Å; I231-I242 HydrophobicContact CD1-CD1 4.45Å; I231-I242 HydrophobicContact CD1-CG1 4.28Å; I242-M244 HydrophobicContact CG2-CG 4.3Å; I242-P288 HydrophobicContact CD1-CG 4.22Å; I242-P288 HydrophobicContact CG1-CG 4.31Å; I242-P288 PolarHBondContact N-O 3.36Å; I242-V289 HydrophobicContact CB-CG2 4.1Å; I242-V289 HydrophobicContact CG2-CG2 3.95Å; I242-V289 WeakPolarHBondContact O-CA 3.34Å; I242-V290 PolarHBondContact O-N 2.99Å |
| 243 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 156.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | M169 L171 S291 | M169-G243 WeakPolarHBondContact CA-O 3.29Å; M169-G243 WeakPolarHBondContact CB-O 3.34Å; M169-G243 PolarHBondContact N-O 3.36Å; M169-G243 PolarHBondContact O-N 2.88Å; L171-G243 VanDerWaalsContact CD1-N 3.3Å; G243-S291 CarbonylContact C-O 3.53Å; G243-S291 VanDerWaalsContact CA-O 3.28Å; G243-S291 WeakPolarHBondContact CA-O 3.42Å |
| 244 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.6 | 176.4 | -58.9 | 176.4 | 65.7 | 0 | 0 | 109.4 | M165 E167 F168 L224 I242 F283 V289 S291 I292 E293 | M165-M244 HydrophobicContact SD-CE 3.32Å; M165-M244 WeakPolarHBondContact SD-CE 3.3Å; E167-M244 WeakPolarHBondContact O-CA 3.3Å; F168-M244 HydrophobicContact CD1-CE 4.19Å; F168-M244 HydrophobicContact CE1-CE 3.69Å; F168-M244 HydrophobicContact CZ-CE 4.2Å; L224-M244 HydrophobicContact CD1-SD 4.25Å; L224-M244 HydrophobicContact CD2-CG 4.49Å; L224-M244 HydrophobicContact CD2-SD 3.98Å; I242-M244 HydrophobicContact CG2-CG 4.3Å; M244-F283 HydrophobicContact CE-CD2 3.97Å; M244-F283 HydrophobicContact CE-CE2 4.1Å; M244-F283 HydrophobicContact SD-CD2 4.08Å; M244-V289 HydrophobicContact SD-CG1 4.29Å; M244-V289 HydrophobicContact SD-CG2 4.16Å; M244-S291 PolarHBondContact N-O 3.3Å; M244-I292 HydrophobicContact CB-CG1 4.46Å; M244-I292 CarbonylContact O-C 3.48Å; M244-I292 WeakPolarHBondContact O-CA 3.47Å; M244-E293 PolarHBondContact O-N 3.45Å |
| 245 | D | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 117.6 | 157.1 | 167.8 | 24.8 | 0 | 0 | 0 | 107.6 | Q166 E167 M169 A247 E293 K394 | Q166-D245 PolarHBondContact N-O 3.03Å; Q166-D245 PolarHBondContact NE2-OD2 2.97Å; E167-D245 HydrophobicContact CB-CB 3.81Å; E167-D245 HydrophobicContact CG-CB 3.72Å; E167-D245 PolarHBondContact N-O 3.32Å; E167-D245 PolarHBondContact O-N 2.81Å; E167-D245 WeakPolarHBondContact OE2-CB 3.16Å; M169-D245 HydrophobicContact CE-CB 4.14Å; D245-A247 PolarHBondContact OD1-N 3.47Å; D245-E293 HydrophobicContact CB-CB 3.96Å; D245-E293 HydrophobicContact CB-CG 4.23Å; D245-K394 IonicContact OD2-NZ 3.98Å |
| 246 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -84.9 | -34.7 | -177.1 | -175.4 | 0 | 0 | 0 | 0 | 110 | M165 A248 F251 Y280 I292 E293 | M165-V246 HydrophobicContact CE-CG1 4.31Å; M165-V246 HydrophobicContact CG-CB 4.38Å; M165-V246 HydrophobicContact CG-CG1 3.74Å; M165-V246 HydrophobicContact CG-CG2 4.43Å; M165-V246 HydrophobicContact SD-CG1 4.34Å; M165-V246 HydrophobicContact SD-CG2 4.28Å; V246-A248 VanDerWaalsContact C-N 3.31Å; V246-A248 HydrophobicContact CG1-CB 4.15Å; V246-A248 PolarHBondContact O-N 3.42Å; V246-F251 HydrophobicContact CG1-CE1 3.94Å; V246-F251 HydrophobicContact CG1-CZ 3.45Å; V246-F251 VanDerWaalsContact CG1-CZ 3.45Å; V246-F251 WeakPolarHBondContact O-CE1 3.42Å; V246-Y280 HydrophobicContact CG1-CE1 4.22Å; V246-Y280 WeakPolarHBondContact CG1-OH 3.35Å; V246-Y280 HydrophobicContact CG2-CE1 3.81Å; V246-I292 HydrophobicContact CG2-CG2 3.77Å; V246-E293 PolarHBondContact N-O 2.61Å | ||
| 247 | A | 97.6 | Very high | 98 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | trans | 50 | 48.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q166 D245 S249 E250 | Q166-A247 HydrophobicContact CB-CB 3.81Å; Q166-A247 HydrophobicContact CG-CB 4.39Å; D245-A247 PolarHBondContact OD1-N 3.47Å; A247-S249 PolarHBondContact O-N 3.03Å; A247-S249 VanDerWaalsContact O-N 3.08Å; A247-E250 HydrophobicContact CB-CG 4.24Å; A247-E250 WeakPolarHBondContact O-CB 3.37Å; A247-E250 PolarHBondContact O-N 3.41Å | ||
| 248 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -61.5 | -23.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115 | V246 E250 F251 F252 Y257 D294 P295 | V246-A248 VanDerWaalsContact C-N 3.31Å; V246-A248 HydrophobicContact CG1-CB 4.15Å; V246-A248 PolarHBondContact O-N 3.42Å; A248-E250 PolarHBondContact O-N 3.28Å; A248-F251 HydrophobicContact CB-CE1 4.44Å; A248-F251 HydrophobicContact CB-CE2 3.97Å; A248-F251 HydrophobicContact CB-CZ 3.82Å; A248-F251 CarbonylContact O-C 3.54Å; A248-F251 PolarHBondContact O-N 2.96Å; A248-F252 PolarHBondContact O-N 3.3Å; A248-Y257 HydrophobicContact CB-CD1 4.1Å; A248-Y257 HydrophobicContact CB-CE1 3.81Å; A248-D294 WeakPolarHBondContact CB-O 3.4Å; A248-D294 PolarHBondContact N-O 2.93Å; A248-D294 VanDerWaalsContact N-O 3.11Å; A248-P295 WeakPolarHBondContact CB-O 3.22Å |
| 249 | S | 97.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 11% | 0.105 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -55 | -34.8 | 173.2 | -51.7 | 0 | 0 | 0 | 0 | 112.2 | A247 F251 F252 Q298 | A247-S249 PolarHBondContact O-N 3.03Å; A247-S249 VanDerWaalsContact O-N 3.08Å; S249-F251 PolarHBondContact O-N 3.25Å; S249-F252 PolarHBondContact O-N 3.01Å; S249-Q298 PolarHBondContact OG-N 3.12Å; S249-Q298 VanDerWaalsContact OG-N 3.1Å |
| 250 | E | 96.4 | Very high | 97.8 | Very high | 54 Ų | 54 | 26.4 Ų | 26.4 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -64.4 | -28.6 | -177.8 | -65.7 | -68.5 | 96.3 | 0 | 0 | 112.6 | S157 A247 A248 R253 F261 | S157-E250 PolarHBondContact OG-OE2 2.71Å; A247-E250 HydrophobicContact CB-CG 4.24Å; A247-E250 WeakPolarHBondContact O-CB 3.37Å; A247-E250 PolarHBondContact O-N 3.41Å; A248-E250 PolarHBondContact O-N 3.28Å; E250-R253 PolarHBondContact O-NH1 3.47Å; E250-R253 PolarHBondContact O-NH2 2.82Å; E250-F261 HydrophobicContact CB-CZ 4.49Å |
| 251 | F | 97.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -119.8 | 14.9 | -178.8 | 59.1 | -104.1 | 0 | 0 | 0 | 113.9 | A164 V246 A248 S249 R253 Y257 D258 L259 F261 L276 | A164-F251 HydrophobicContact CB-CD1 4.35Å; A164-F251 HydrophobicContact CB-CE1 4.42Å; V246-F251 HydrophobicContact CG1-CE1 3.94Å; V246-F251 HydrophobicContact CG1-CZ 3.45Å; V246-F251 VanDerWaalsContact CG1-CZ 3.45Å; V246-F251 WeakPolarHBondContact O-CE1 3.42Å; A248-F251 HydrophobicContact CB-CE1 4.44Å; A248-F251 HydrophobicContact CB-CE2 3.97Å; A248-F251 HydrophobicContact CB-CZ 3.82Å; A248-F251 CarbonylContact O-C 3.54Å; A248-F251 PolarHBondContact O-N 2.96Å; S249-F251 PolarHBondContact O-N 3.25Å; F251-R253 PolarHBondContact O-N 3.34Å; F251-Y257 AromaticContact CD2-CD1 3.86Å; F251-Y257 HydrophobicContact CD2-CD1 3.86Å; F251-Y257 HydrophobicContact CD2-CG 4.37Å; F251-Y257 AromaticContact CE2-CD1 3.72Å; F251-Y257 HydrophobicContact CE2-CD1 3.72Å; F251-Y257 HydrophobicContact CE2-CG 4.22Å; F251-Y257 WeakPolarHBondContact O-CA 3.44Å; F251-D258 VanDerWaalsContact CB-O 3.26Å; F251-D258 WeakPolarHBondContact CB-O 3.44Å; F251-D258 PolarHBondContact O-N 3.41Å; F251-L259 HydrophobicContact CD2-CD2 4.39Å; F251-L259 HydrophobicContact CE2-CD2 3.84Å; F251-L259 HydrophobicContact CZ-CD2 4.09Å; F251-F261 HydrophobicContact CB-CB 3.73Å; F251-F261 HydrophobicContact CB-CD1 3.55Å; F251-F261 HydrophobicContact CB-CD2 4.5Å; F251-F261 HydrophobicContact CB-CE1 4.24Å; F251-F261 HydrophobicContact CB-CG 3.68Å; F251-F261 HydrophobicContact CD1-CD1 4.2Å; F251-F261 HydrophobicContact CD1-CE1 4.19Å; F251-F261 HydrophobicContact CG-CD1 4.27Å; F251-L276 HydrophobicContact CE2-CD2 4.34Å |
| 252 | F | 98 | Very high | 97.5 | Very high | 56 Ų | 56 | 30.2 Ų | 30.2 | 25% | 0.246 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.1 | 169.1 | -176 | -116.1 | 0 | 0 | 0 | 110.4 | A248 S249 G255 K256 Y257 D297 | A248-F252 PolarHBondContact O-N 3.3Å; S249-F252 PolarHBondContact O-N 3.01Å; F252-G255 VanDerWaalsContact CZ-CA 3.44Å; F252-K256 CarbonylContact C-O 3.56Å; F252-K256 WeakPolarHBondContact CA-O 3.26Å; F252-K256 WeakPolarHBondContact CD2-O 3.45Å; F252-Y257 HydrophobicContact CB-CD1 4.28Å; F252-Y257 HydrophobicContact CB-CE1 4.08Å; F252-Y257 AromaticContact CD2-CD1 3.99Å; F252-Y257 HydrophobicContact CD2-CD1 3.99Å; F252-Y257 AromaticContact CD2-CE1 3.51Å; F252-Y257 HydrophobicContact CD2-CE1 3.51Å; F252-Y257 HydrophobicContact CD2-CE2 4.13Å; F252-Y257 HydrophobicContact CD2-CG 4.48Å; F252-Y257 AromaticContact CD2-CZ 3.57Å; F252-Y257 HydrophobicContact CE2-CE1 4.36Å; F252-Y257 HydrophobicContact CE2-CE2 4.31Å; F252-Y257 AromaticContact CE2-CZ 3.96Å; F252-Y257 HydrophobicContact CG-CE1 4.22Å; F252-D297 HydrophobicContact CB-CB 3.82Å; F252-D297 HydrophobicContact CD1-CB 3.76Å; F252-D297 VanDerWaalsContact CD1-CG 3.47Å; F252-D297 HydrophobicContact CD2-CB 3.8Å; F252-D297 HydrophobicContact CE1-CB 4.18Å; F252-D297 HydrophobicContact CE2-CB 4.2Å; F252-D297 HydrophobicContact CG-CB 3.53Å; F252-D297 HydrophobicContact CZ-CB 4.37Å |
| 253 | R | 97.1 | Very high | 97.3 | Very high | 82 Ų | 82 | 31.1 Ų | 31.1 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 115.6 | -176.5 | -60.7 | -65.2 | 179 | -86.7 | -5.7 | 109.1 | E250 F251 G255 K256 D258 Y270 | E250-R253 PolarHBondContact O-NH1 3.47Å; E250-R253 PolarHBondContact O-NH2 2.82Å; F251-R253 PolarHBondContact O-N 3.34Å; R253-G255 VanDerWaalsContact C-N 3.31Å; R253-G255 PolarHBondContact O-N 3.42Å; R253-K256 PolarHBondContact N-O 3.23Å; R253-K256 CarbonylContact O-C 3.55Å; R253-K256 WeakPolarHBondContact O-CA 3.48Å; R253-K256 PolarHBondContact O-N 3.12Å; R253-D258 HydrophobicContact CG-CB 4.27Å; R253-Y270 HydrophobicContact CB-CD2 4.06Å; R253-Y270 HydrophobicContact CB-CE1 4.41Å; R253-Y270 HydrophobicContact CB-CE2 3.36Å; R253-Y270 HydrophobicContact CG-CE1 4.47Å; R253-Y270 HydrophobicContact CG-CE2 4.21Å |
| 254 | S | 93.9 | Very high | 97.2 | Very high | 123 Ų | 123 | 36.7 Ų | 36.7 | 86% | 0.86 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.5 | 171.5 | -55.4 | 0 | 0 | 0 | 0 | 114.5 | K256 | S254-K256 VanDerWaalsContact C-N 3.32Š|
| 255 | G | 96.9 | Very high | 97 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 6.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F252 R253 | F252-G255 VanDerWaalsContact CZ-CA 3.44Å; R253-G255 VanDerWaalsContact C-N 3.31Å; R253-G255 PolarHBondContact O-N 3.42Å |
| 256 | K | 98.5 | Very high | 96.9 | Very high | 93 Ų | 93 | 45 Ų | 45 | 40% | 0.404 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 179.9 | 179.6 | -64.9 | -172.3 | 178.2 | -175.3 | 0 | 110.6 | F252 R253 S254 Y270 I271 | F252-K256 CarbonylContact C-O 3.56Å; F252-K256 WeakPolarHBondContact CA-O 3.26Å; F252-K256 WeakPolarHBondContact CD2-O 3.45Å; R253-K256 PolarHBondContact N-O 3.23Å; R253-K256 CarbonylContact O-C 3.55Å; R253-K256 WeakPolarHBondContact O-CA 3.48Å; R253-K256 PolarHBondContact O-N 3.12Å; S254-K256 VanDerWaalsContact C-N 3.32Å; K256-Y270 HydrophobicContact CB-CD2 4.22Å; K256-Y270 HydrophobicContact CB-CG 4.45Å; K256-I271 WeakPolarHBondContact CA-O 3.4Å; K256-I271 WeakPolarHBondContact CB-O 3.37Å |
| 257 | Y | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.8 | -176.4 | -62.4 | -85.5 | 0 | 0 | 0 | 111.8 | A248 F251 F252 Y270 I271 P273 L276 F296 D297 D300 | A248-Y257 HydrophobicContact CB-CD1 4.1Å; A248-Y257 HydrophobicContact CB-CE1 3.81Å; F251-Y257 AromaticContact CD2-CD1 3.86Å; F251-Y257 HydrophobicContact CD2-CD1 3.86Å; F251-Y257 HydrophobicContact CD2-CG 4.37Å; F251-Y257 AromaticContact CE2-CD1 3.72Å; F251-Y257 HydrophobicContact CE2-CD1 3.72Å; F251-Y257 HydrophobicContact CE2-CG 4.22Å; F251-Y257 WeakPolarHBondContact O-CA 3.44Å; F252-Y257 HydrophobicContact CB-CD1 4.28Å; F252-Y257 HydrophobicContact CB-CE1 4.08Å; F252-Y257 AromaticContact CD2-CD1 3.99Å; F252-Y257 HydrophobicContact CD2-CD1 3.99Å; F252-Y257 AromaticContact CD2-CE1 3.51Å; F252-Y257 HydrophobicContact CD2-CE1 3.51Å; F252-Y257 HydrophobicContact CD2-CE2 4.13Å; F252-Y257 HydrophobicContact CD2-CG 4.48Å; F252-Y257 AromaticContact CD2-CZ 3.57Å; F252-Y257 HydrophobicContact CE2-CE1 4.36Å; F252-Y257 HydrophobicContact CE2-CE2 4.31Å; F252-Y257 AromaticContact CE2-CZ 3.96Å; F252-Y257 HydrophobicContact CG-CE1 4.22Å; Y257-Y270 WeakPolarHBondContact O-CA 3.14Å; Y257-I271 PolarHBondContact N-O 3.41Å; Y257-I271 PolarHBondContact O-N 2.9Å; Y257-P273 HydrophobicContact CE2-CB 3.98Å; Y257-P273 HydrophobicContact CE2-CG 3.89Å; Y257-L276 HydrophobicContact CD1-CD2 3.74Å; Y257-L276 HydrophobicContact CD2-CB 4.41Å; Y257-L276 HydrophobicContact CD2-CD2 3.57Å; Y257-L276 HydrophobicContact CE1-CD2 4.17Å; Y257-L276 HydrophobicContact CE2-CD2 4.03Å; Y257-L276 HydrophobicContact CG-CD2 3.42Å; Y257-L276 VanDerWaalsContact CG-CD2 3.42Å; Y257-F296 HydrophobicContact CE2-CD1 4.03Å; Y257-F296 AromaticContact CZ-CD1 3.91Å; Y257-F296 WeakPolarHBondContact OH-CA 3.42Å; Y257-F296 VanDerWaalsContact OH-CB 3.31Å; Y257-F296 WeakPolarHBondContact OH-CB 3.42Å; Y257-D297 HydrophobicContact CE1-CB 4.28Å; Y257-D297 PolarHBondContact OH-N 3.47Å; Y257-D300 WeakPolarHBondContact OH-CB 3.48Å; Y257-D300 PolarHBondContact OH-OD2 2.97Å |
| 258 | D | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.011 | 31% | 0.307 | C | S | . | . | trans | -105 | 98.5 | 179 | -174.3 | 2 | 0 | 0 | 0 | 112.2 | F251 R253 D260 F261 R269 Y270 | F251-D258 VanDerWaalsContact CB-O 3.26Å; F251-D258 WeakPolarHBondContact CB-O 3.44Å; F251-D258 PolarHBondContact O-N 3.41Å; R253-D258 HydrophobicContact CG-CB 4.27Å; D258-D260 PolarHBondContact O-N 2.84Å; D258-D260 PolarHBondContact OD1-N 3.24Å; D258-F261 HydrophobicContact CB-CB 4.11Å; D258-F261 PolarHBondContact O-N 2.62Å; D258-F261 PolarHBondContact OD1-N 3.12Å; D258-F261 WeakPolarHBondContact OD2-CA 3.37Å; D258-R269 WeakPolarHBondContact OD1-CD 3.37Å; D258-R269 IonicContact OD1-CZ 3.42Å; D258-R269 IonicContact OD1-NE 2.69Å; D258-R269 PolarHBondContact OD1-NE 3.48Å; D258-R269 IonicContact OD1-NH2 3.48Å; D258-R269 PolarHBondContact OD1-NH2 3.33Å; D258-R269 IonicContact OD2-CZ 3.45Å; D258-R269 IonicContact OD2-NE 3.34Å; D258-R269 PolarHBondContact OD2-NE 2.8Å; D258-R269 IonicContact OD2-NH2 2.74Å; D258-R269 PolarHBondContact OD2-NH2 2.82Å; D258-Y270 HydrophobicContact CB-CD1 3.69Å; D258-Y270 HydrophobicContact CB-CE1 3.6Å; D258-Y270 WeakPolarHBondContact OD2-CE1 3.45Å | ||
| 259 | L | 97.7 | Very high | 96.7 | Very high | 37 Ų | 37 | 56.7 Ų | 56.7 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 5.6 | 179.4 | -60 | -175.9 | 0 | 0 | 0 | 114.7 | A164 M165 F251 I271 L276 L279 | A164-L259 HydrophobicContact CB-CB 4.42Å; A164-L259 HydrophobicContact CB-CD2 4.43Å; A164-L259 VanDerWaalsContact CB-O 3.23Å; A164-L259 WeakPolarHBondContact CB-O 3.35Å; M165-L259 HydrophobicContact CE-CD2 4.5Å; F251-L259 HydrophobicContact CD2-CD2 4.39Å; F251-L259 HydrophobicContact CE2-CD2 3.84Å; F251-L259 HydrophobicContact CZ-CD2 4.09Å; L259-I271 HydrophobicContact CD1-CD1 3.57Å; L259-I271 HydrophobicContact CG-CD1 3.92Å; L259-I271 HydrophobicContact CG-CG1 4.49Å; L259-L276 HydrophobicContact CD2-CD1 4.21Å; L259-L279 HydrophobicContact CD1-CD2 3.69Å |
| 260 | D | 96.8 | Very high | 96.7 | Very high | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 34.5 | 171.9 | -173.3 | 27.7 | 0 | 0 | 0 | 110.9 | L218 D258 K262 S263 R269 | L218-D260 HydrophobicContact CD1-CB 3.83Å; L218-D260 WeakPolarHBondContact CD1-OD1 3.31Å; D258-D260 PolarHBondContact O-N 2.84Å; D258-D260 PolarHBondContact OD1-N 3.24Å; D260-K262 PolarHBondContact O-N 3.23Å; D260-S263 VanDerWaalsContact CG-CB 3.45Å; D260-S263 WeakPolarHBondContact O-CB 3.24Å; D260-S263 PolarHBondContact O-N 2.85Å; D260-S263 VanDerWaalsContact OD1-CB 3.3Å; D260-S263 WeakPolarHBondContact OD1-CB 3.32Å; D260-S263 PolarHBondContact OD1-OG 2.8Å; D260-S263 VanDerWaalsContact OD2-CB 3.22Å; D260-S263 WeakPolarHBondContact OD2-CB 3.47Å; D260-S263 PolarHBondContact OD2-OG 2.83Å; D260-S263 VanDerWaalsContact OD2-OG 3.07Å; D260-R269 VanDerWaalsContact O-CZ 3.29Å; D260-R269 PolarHBondContact O-NH1 3.48Å; D260-R269 PolarHBondContact O-NH2 2.77Å; D260-R269 IonicContact OD2-CZ 3.81Å; D260-R269 IonicContact OD2-NH1 2.95Å; D260-R269 PolarHBondContact OD2-NH1 3.47Å |
| 261 | F | 96.3 | Very high | 96.8 | Very high | 37 Ų | 37 | 56 Ų | 56 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -14.1 | -175 | 80.6 | -83.3 | 0 | 0 | 0 | 116.1 | A164 E250 F251 D258 | A164-F261 HydrophobicContact CB-CD1 4.04Å; A164-F261 HydrophobicContact CB-CE1 4.16Å; E250-F261 HydrophobicContact CB-CZ 4.49Å; F251-F261 HydrophobicContact CB-CB 3.73Å; F251-F261 HydrophobicContact CB-CD1 3.55Å; F251-F261 HydrophobicContact CB-CD2 4.5Å; F251-F261 HydrophobicContact CB-CE1 4.24Å; F251-F261 HydrophobicContact CB-CG 3.68Å; F251-F261 HydrophobicContact CD1-CD1 4.2Å; F251-F261 HydrophobicContact CD1-CE1 4.19Å; F251-F261 HydrophobicContact CG-CD1 4.27Å; D258-F261 HydrophobicContact CB-CB 4.11Å; D258-F261 PolarHBondContact O-N 2.62Å; D258-F261 PolarHBondContact OD1-N 3.12Å; D258-F261 WeakPolarHBondContact OD2-CA 3.37Å |
| 262 | K | 94.6 | Very high | 96.9 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 30% | 0.3 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -12.6 | 176.2 | -69 | -176 | -78 | -174.8 | 0 | 113.2 | G156 A159 N161 L163 D260 | G156-K262 WeakPolarHBondContact O-CD 3.46Å; G156-K262 PolarHBondContact O-NZ 3.21Å; A159-K262 PolarHBondContact O-NZ 2.83Å; N161-K262 VanDerWaalsContact O-CD 3.3Å; N161-K262 WeakPolarHBondContact O-CD 3.46Å; N161-K262 WeakPolarHBondContact O-CE 3.48Å; N161-K262 PolarHBondContact O-NZ 3.05Å; N161-K262 PolarHBondContact OD1-NZ 2.76Å; L163-K262 WeakPolarHBondContact O-CE 3.4Å; L163-K262 PolarHBondContact O-NZ 2.78Å; D260-K262 PolarHBondContact O-N 3.23Å |
| 263 | S | 94.7 | Very high | 96.9 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 13% | 0.133 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -89.2 | 164.6 | 168.6 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | K162 D260 D265 R269 | K162-S263 PolarHBondContact NZ-OG 2.94Å; D260-S263 VanDerWaalsContact CG-CB 3.45Å; D260-S263 WeakPolarHBondContact O-CB 3.24Å; D260-S263 PolarHBondContact O-N 2.85Å; D260-S263 VanDerWaalsContact OD1-CB 3.3Å; D260-S263 WeakPolarHBondContact OD1-CB 3.32Å; D260-S263 PolarHBondContact OD1-OG 2.8Å; D260-S263 VanDerWaalsContact OD2-CB 3.22Å; D260-S263 WeakPolarHBondContact OD2-CB 3.47Å; D260-S263 PolarHBondContact OD2-OG 2.83Å; D260-S263 VanDerWaalsContact OD2-OG 3.07Å; S263-D265 PolarHBondContact O-N 3.09Å; S263-R269 PolarHBondContact O-NH2 3.35Å |
| 264 | P | 95.6 | Very high | 96.9 | Very high | 117 Ų | 117 | 56.3 Ų | 56.3 | 76% | 0.76 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -47.8 | 141.9 | 173.3 | -28.5 | 36.1 | 0 | 0 | 0 | 112.1 | R269 | P264-R269 PolarHBondContact O-NH1 3.34Å; P264-R269 PolarHBondContact O-NH2 2.96Å |
| 265 | D | 95.8 | Very high | 97.2 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 133.4 | -171.5 | -170.2 | 37.2 | 0 | 0 | 0 | 112.4 | S263 Y270 | S263-D265 PolarHBondContact O-N 3.09Å; D265-Y270 VanDerWaalsContact CG-OH 3.23Å; D265-Y270 PolarHBondContact OD1-OH 3.32Å; D265-Y270 PolarHBondContact OD2-OH 2.88Å |
| 266 | D | 96.5 | Very high | 97.3 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -145.1 | 99.9 | 178.5 | -178.8 | -3.6 | 0 | 0 | 0 | 110.3 | S268 R269 Y270 | D266-S268 VanDerWaalsContact CG-OG 3.24Å; D266-S268 PolarHBondContact O-N 2.81Å; D266-S268 VanDerWaalsContact OD1-CB 3.26Å; D266-S268 WeakPolarHBondContact OD1-CB 3.5Å; D266-S268 PolarHBondContact OD1-N 2.55Å; D266-S268 PolarHBondContact OD1-OG 3.25Å; D266-S268 PolarHBondContact OD2-OG 3.46Å; D266-R269 HydrophobicContact CB-CG 4.09Å; D266-R269 WeakPolarHBondContact O-CG 3.4Å; D266-R269 PolarHBondContact O-N 2.97Å; D266-Y270 WeakPolarHBondContact O-CD1 3.43Å; D266-Y270 VanDerWaalsContact O-CE1 3.32Å; D266-Y270 WeakPolarHBondContact O-CE1 3.31Å | ||
| 267 | P | 96.5 | Very high | 97.3 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -62 | -15.5 | 179.9 | -26.7 | 36.1 | 0 | 0 | 0 | 115.2 | Y270 | P267-Y270 HydrophobicContact CB-CD2 4.24Å; P267-Y270 HydrophobicContact CB-CE2 4.06Å; P267-Y270 HydrophobicContact CG-CE2 4.38Å; P267-Y270 PolarHBondContact O-N 2.87Å |
| 268 | S | 96.9 | Very high | 97.3 | Very high | 101 Ų | 101 | 54 Ų | 54 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -74.5 | -24.7 | -179.1 | 76.2 | 0 | 0 | 0 | 0 | 113.3 | D266 | D266-S268 VanDerWaalsContact CG-OG 3.24Å; D266-S268 PolarHBondContact O-N 2.81Å; D266-S268 VanDerWaalsContact OD1-CB 3.26Å; D266-S268 WeakPolarHBondContact OD1-CB 3.5Å; D266-S268 PolarHBondContact OD1-N 2.55Å; D266-S268 PolarHBondContact OD1-OG 3.25Å; D266-S268 PolarHBondContact OD2-OG 3.46Å |
| 269 | R | 96.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 56.2 Ų | 56.2 | 24% | 0.242 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -86.6 | -6.6 | 175.1 | 60.7 | 168.4 | -168.8 | -133.2 | -10.9 | 113.8 | D258 D260 S263 P264 D266 I271 | D258-R269 WeakPolarHBondContact OD1-CD 3.37Å; D258-R269 IonicContact OD1-CZ 3.42Å; D258-R269 IonicContact OD1-NE 2.69Å; D258-R269 PolarHBondContact OD1-NE 3.48Å; D258-R269 IonicContact OD1-NH2 3.48Å; D258-R269 PolarHBondContact OD1-NH2 3.33Å; D258-R269 IonicContact OD2-CZ 3.45Å; D258-R269 IonicContact OD2-NE 3.34Å; D258-R269 PolarHBondContact OD2-NE 2.8Å; D258-R269 IonicContact OD2-NH2 2.74Å; D258-R269 PolarHBondContact OD2-NH2 2.82Å; D260-R269 VanDerWaalsContact O-CZ 3.29Å; D260-R269 PolarHBondContact O-NH1 3.48Å; D260-R269 PolarHBondContact O-NH2 2.77Å; D260-R269 IonicContact OD2-CZ 3.81Å; D260-R269 IonicContact OD2-NH1 2.95Å; D260-R269 PolarHBondContact OD2-NH1 3.47Å; S263-R269 PolarHBondContact O-NH2 3.35Å; P264-R269 PolarHBondContact O-NH1 3.34Å; P264-R269 PolarHBondContact O-NH2 2.96Å; D266-R269 HydrophobicContact CB-CG 4.09Å; D266-R269 WeakPolarHBondContact O-CG 3.4Å; D266-R269 PolarHBondContact O-N 2.97Å; R269-I271 PolarHBondContact O-N 3.37Å |
| 270 | Y | 98.2 | Very high | 97.3 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 132.4 | -178.4 | -66.2 | 1.5 | 0 | 0 | 0 | 111.4 | R253 K256 Y257 D258 D265 D266 P267 | R253-Y270 HydrophobicContact CB-CD2 4.06Å; R253-Y270 HydrophobicContact CB-CE1 4.41Å; R253-Y270 HydrophobicContact CB-CE2 3.36Å; R253-Y270 HydrophobicContact CG-CE1 4.47Å; R253-Y270 HydrophobicContact CG-CE2 4.21Å; K256-Y270 HydrophobicContact CB-CD2 4.22Å; K256-Y270 HydrophobicContact CB-CG 4.45Å; Y257-Y270 WeakPolarHBondContact O-CA 3.14Å; D258-Y270 HydrophobicContact CB-CD1 3.69Å; D258-Y270 HydrophobicContact CB-CE1 3.6Å; D258-Y270 WeakPolarHBondContact OD2-CE1 3.45Å; D265-Y270 VanDerWaalsContact CG-OH 3.23Å; D265-Y270 PolarHBondContact OD1-OH 3.32Å; D265-Y270 PolarHBondContact OD2-OH 2.88Å; D266-Y270 WeakPolarHBondContact O-CD1 3.43Å; D266-Y270 VanDerWaalsContact O-CE1 3.32Å; D266-Y270 WeakPolarHBondContact O-CE1 3.31Å; P267-Y270 HydrophobicContact CB-CD2 4.24Å; P267-Y270 HydrophobicContact CB-CE2 4.06Å; P267-Y270 HydrophobicContact CG-CE2 4.38Å; P267-Y270 PolarHBondContact O-N 2.87Å |
| 271 | I | 98.6 | Very high | 97.4 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.169 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -103.5 | 149.6 | 178.9 | 63.5 | 171.9 | 0 | 0 | 0 | 111.4 | K256 Y257 L259 R269 Q275 L276 | K256-I271 WeakPolarHBondContact CA-O 3.4Å; K256-I271 WeakPolarHBondContact CB-O 3.37Å; Y257-I271 PolarHBondContact N-O 3.41Å; Y257-I271 PolarHBondContact O-N 2.9Å; L259-I271 HydrophobicContact CD1-CD1 3.57Å; L259-I271 HydrophobicContact CG-CD1 3.92Å; L259-I271 HydrophobicContact CG-CG1 4.49Å; R269-I271 PolarHBondContact O-N 3.37Å; I271-Q275 HydrophobicContact CB-CB 3.99Å; I271-L276 HydrophobicContact CD1-CB 3.88Å; I271-L276 HydrophobicContact CD1-CD1 3.99Å; I271-L276 HydrophobicContact CD1-CG 4.48Å; I271-L276 HydrophobicContact CG1-CB 4.41Å |
| 272 | S | 98.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 162.9 | 177 | 76.1 | 0 | 0 | 0 | 0 | 111.9 | D274 Q275 L276 | S272-D274 PolarHBondContact O-N 3.36Å; S272-D274 PolarHBondContact OG-N 3.01Å; S272-Q275 PolarHBondContact O-N 3.44Å; S272-Q275 WeakPolarHBondContact OG-CG 3.42Å; S272-Q275 PolarHBondContact OG-N 2.95Å; S272-Q275 VanDerWaalsContact OG-N 3.15Å; S272-Q275 PolarHBondContact OG-OE1 3.33Å; S272-L276 PolarHBondContact O-N 2.93Å |
| 273 | P | 98.6 | Very high | 97.7 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.6 | -39.1 | 172.3 | -19.7 | 26.7 | 0 | 0 | 0 | 112.9 | Y257 L276 A277 F296 D300 A303 | Y257-P273 HydrophobicContact CE2-CB 3.98Å; Y257-P273 HydrophobicContact CE2-CG 3.89Å; P273-L276 PolarHBondContact O-N 3.23Å; P273-A277 WeakPolarHBondContact O-CB 3.37Å; P273-A277 PolarHBondContact O-N 2.81Å; P273-F296 HydrophobicContact CB-CD1 4.38Å; P273-F296 HydrophobicContact CB-CE1 4.35Å; P273-F296 WeakPolarHBondContact O-CE1 3.46Å; P273-D300 WeakPolarHBondContact CG-OD2 3.22Å; P273-A303 HydrophobicContact CB-CB 3.71Å |
| 274 | D | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 178.8 | -66.3 | -29.9 | 0 | 0 | 0 | 111.5 | S272 A277 D278 K306 | S272-D274 PolarHBondContact O-N 3.36Å; S272-D274 PolarHBondContact OG-N 3.01Å; D274-A277 WeakPolarHBondContact O-CB 3.4Å; D274-A277 PolarHBondContact O-N 3.04Å; D274-D278 PolarHBondContact O-N 3.33Å; D274-K306 IonicContact OD1-NZ 2.63Å; D274-K306 PolarHBondContact OD1-NZ 2.85Å; D274-K306 IonicContact OD2-NZ 3.87Å |
| 275 | Q | 98.7 | Very high | 98 | Very high | 108 Ų | 108 | 58 Ų | 58 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 174.7 | -73.4 | 174.2 | -53.7 | 0 | 0 | 112 | I271 S272 D278 L279 | I271-Q275 HydrophobicContact CB-CB 3.99Å; S272-Q275 PolarHBondContact O-N 3.44Å; S272-Q275 WeakPolarHBondContact OG-CG 3.42Å; S272-Q275 PolarHBondContact OG-N 2.95Å; S272-Q275 VanDerWaalsContact OG-N 3.15Å; S272-Q275 PolarHBondContact OG-OE1 3.33Å; Q275-D278 PolarHBondContact O-N 2.82Å; Q275-L279 PolarHBondContact O-N 3.38Å |
| 276 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 175.9 | -177.7 | 56.4 | 0 | 0 | 0 | 111.5 | M165 F251 Y257 L259 I271 S272 P273 D278 L279 Y280 F296 | M165-L276 HydrophobicContact CE-CD1 4.45Å; F251-L276 HydrophobicContact CE2-CD2 4.34Å; Y257-L276 HydrophobicContact CD1-CD2 3.74Å; Y257-L276 HydrophobicContact CD2-CB 4.41Å; Y257-L276 HydrophobicContact CD2-CD2 3.57Å; Y257-L276 HydrophobicContact CE1-CD2 4.17Å; Y257-L276 HydrophobicContact CE2-CD2 4.03Å; Y257-L276 HydrophobicContact CG-CD2 3.42Å; Y257-L276 VanDerWaalsContact CG-CD2 3.42Å; L259-L276 HydrophobicContact CD2-CD1 4.21Å; I271-L276 HydrophobicContact CD1-CB 3.88Å; I271-L276 HydrophobicContact CD1-CD1 3.99Å; I271-L276 HydrophobicContact CD1-CG 4.48Å; I271-L276 HydrophobicContact CG1-CB 4.41Å; S272-L276 PolarHBondContact O-N 2.93Å; P273-L276 PolarHBondContact O-N 3.23Å; L276-D278 VanDerWaalsContact C-N 3.33Å; L276-D278 PolarHBondContact O-N 3.24Å; L276-L279 HydrophobicContact CD1-CD2 4.31Å; L276-L279 WeakPolarHBondContact O-CB 3.43Å; L276-L279 PolarHBondContact O-N 2.93Å; L276-Y280 HydrophobicContact CD1-CE1 3.8Å; L276-Y280 HydrophobicContact CD1-CE2 3.99Å; L276-Y280 VanDerWaalsContact CD1-CZ 3.44Å; L276-Y280 WeakPolarHBondContact CD1-OH 3.43Å; L276-Y280 HydrophobicContact CD2-CE2 4.19Å; L276-Y280 WeakPolarHBondContact CD2-OH 3.46Å; L276-Y280 HydrophobicContact CG-CD2 4.41Å; L276-Y280 HydrophobicContact CG-CE1 4.31Å; L276-Y280 HydrophobicContact CG-CE2 3.55Å; L276-Y280 VanDerWaalsContact CG-CZ 3.48Å; L276-Y280 WeakPolarHBondContact CG-OH 3.27Å; L276-Y280 VanDerWaalsContact O-CD2 3.29Å; L276-Y280 WeakPolarHBondContact O-CD2 3.3Å; L276-Y280 PolarHBondContact O-N 2.98Å; L276-F296 HydrophobicContact CB-CE1 4.35Å; L276-F296 HydrophobicContact CD2-CD1 4.27Å; L276-F296 HydrophobicContact CD2-CE1 4.29Å; L276-F296 HydrophobicContact CG-CE1 4.31Å |
| 277 | A | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P273 D274 L279 Y280 K281 F296 F307 | P273-A277 WeakPolarHBondContact O-CB 3.37Å; P273-A277 PolarHBondContact O-N 2.81Å; D274-A277 WeakPolarHBondContact O-CB 3.4Å; D274-A277 PolarHBondContact O-N 3.04Å; A277-L279 VanDerWaalsContact C-N 3.34Å; A277-Y280 PolarHBondContact O-N 2.78Å; A277-K281 WeakPolarHBondContact O-CG 3.44Å; A277-K281 PolarHBondContact O-N 2.98Å; A277-F296 HydrophobicContact CB-CE1 4.42Å; A277-F296 HydrophobicContact CB-CZ 3.88Å; A277-F307 HydrophobicContact CB-CD2 4.12Å |
| 278 | D | 98.6 | Very high | 98.3 | Very high | 92 Ų | 92 | 52.2 Ų | 52.2 | 49% | 0.492 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68 | -34 | 177.5 | -72.1 | -17.6 | 0 | 0 | 0 | 112.4 | D274 Q275 L276 K281 S282 | D274-D278 PolarHBondContact O-N 3.33Å; Q275-D278 PolarHBondContact O-N 2.82Å; L276-D278 VanDerWaalsContact C-N 3.33Å; L276-D278 PolarHBondContact O-N 3.24Å; D278-K281 PolarHBondContact O-N 3.36Å; D278-K281 IonicContact OD1-NZ 3.67Å; D278-K281 PolarHBondContact OD1-NZ 3.09Å; D278-S282 PolarHBondContact O-N 3.43Å |
| 279 | L | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 170.2 | -177.5 | 64 | 0 | 0 | 0 | 111 | M165 L259 Q275 L276 A277 K281 S282 F283 | M165-L279 HydrophobicContact CE-CD2 4.21Å; L259-L279 HydrophobicContact CD1-CD2 3.69Å; Q275-L279 PolarHBondContact O-N 3.38Å; L276-L279 HydrophobicContact CD1-CD2 4.31Å; L276-L279 WeakPolarHBondContact O-CB 3.43Å; L276-L279 PolarHBondContact O-N 2.93Å; A277-L279 VanDerWaalsContact C-N 3.34Å; L279-K281 PolarHBondContact O-N 3.12Å; L279-S282 WeakPolarHBondContact O-CB 3.2Å; L279-S282 PolarHBondContact O-N 2.93Å; L279-S282 VanDerWaalsContact O-N 3.12Å; L279-S282 PolarHBondContact O-OG 2.8Å; L279-F283 HydrophobicContact CD1-CD1 4.48Å; L279-F283 HydrophobicContact CD1-CE1 3.59Å; L279-F283 HydrophobicContact CD1-CE2 4.45Å; L279-F283 HydrophobicContact CD1-CZ 3.57Å; L279-F283 HydrophobicContact CD2-CE2 4.35Å; L279-F283 HydrophobicContact CD2-CZ 3.99Å; L279-F283 HydrophobicContact CG-CE1 4.01Å; L279-F283 HydrophobicContact CG-CE2 3.98Å; L279-F283 HydrophobicContact CG-CZ 3.57Å; L279-F283 PolarHBondContact O-N 3.12Å; L279-F283 VanDerWaalsContact O-N 3.1Å |
| 280 | Y | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 176.5 | -58.7 | -40.2 | 0 | 0 | 0 | 113.2 | M165 V246 L276 A277 S282 F283 I284 I292 P295 F296 F307 | M165-Y280 HydrophobicContact CE-CD1 4.29Å; M165-Y280 HydrophobicContact CE-CE1 3.55Å; M165-Y280 HydrophobicContact SD-CE1 4.39Å; V246-Y280 HydrophobicContact CG1-CE1 4.22Å; V246-Y280 WeakPolarHBondContact CG1-OH 3.35Å; V246-Y280 HydrophobicContact CG2-CE1 3.81Å; L276-Y280 HydrophobicContact CD1-CE1 3.8Å; L276-Y280 HydrophobicContact CD1-CE2 3.99Å; L276-Y280 VanDerWaalsContact CD1-CZ 3.44Å; L276-Y280 WeakPolarHBondContact CD1-OH 3.43Å; L276-Y280 HydrophobicContact CD2-CE2 4.19Å; L276-Y280 WeakPolarHBondContact CD2-OH 3.46Å; L276-Y280 HydrophobicContact CG-CD2 4.41Å; L276-Y280 HydrophobicContact CG-CE1 4.31Å; L276-Y280 HydrophobicContact CG-CE2 3.55Å; L276-Y280 VanDerWaalsContact CG-CZ 3.48Å; L276-Y280 WeakPolarHBondContact CG-OH 3.27Å; L276-Y280 VanDerWaalsContact O-CD2 3.29Å; L276-Y280 WeakPolarHBondContact O-CD2 3.3Å; L276-Y280 PolarHBondContact O-N 2.98Å; A277-Y280 PolarHBondContact O-N 2.78Å; Y280-S282 PolarHBondContact O-N 3Å; Y280-F283 HydrophobicContact CD1-CD2 4.36Å; Y280-F283 WeakPolarHBondContact O-CA 3.31Å; Y280-F283 WeakPolarHBondContact O-CB 3.35Å; Y280-F283 PolarHBondContact O-N 3.47Å; Y280-I284 WeakPolarHBondContact O-CG1 3.06Å; Y280-I284 PolarHBondContact O-N 2.71Å; Y280-I292 HydrophobicContact CD1-CD1 4.39Å; Y280-I292 HydrophobicContact CG-CD1 4.29Å; Y280-P295 HydrophobicContact CD2-CB 3.97Å; Y280-P295 HydrophobicContact CE2-CB 3.4Å; Y280-P295 VanDerWaalsContact CE2-CB 3.4Å; Y280-P295 VanDerWaalsContact CE2-O 3.25Å; Y280-P295 WeakPolarHBondContact CE2-O 3.43Å; Y280-P295 PolarHBondContact OH-O 3.46Å; Y280-F296 HydrophobicContact CD2-CZ 4.28Å; Y280-F296 HydrophobicContact CE2-CE1 4.23Å; Y280-F296 HydrophobicContact CE2-CZ 4.03Å; Y280-F307 HydrophobicContact CD2-CD2 4.45Å; Y280-F307 HydrophobicContact CD2-CE1 4.41Å; Y280-F307 HydrophobicContact CD2-CE2 4.01Å; Y280-F307 AromaticContact CD2-CZ 3.99Å; Y280-F307 HydrophobicContact CD2-CZ 3.99Å; Y280-F307 HydrophobicContact CG-CE2 4.31Å; Y280-F307 HydrophobicContact CG-CZ 4.2Å |
| 281 | K | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 37% | 0.37 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.9 | -36.7 | 174.7 | -69.3 | 172 | -161.3 | 155 | 0 | 111.4 | A277 D278 L279 F283 I284 K285 | A277-K281 WeakPolarHBondContact O-CG 3.44Å; A277-K281 PolarHBondContact O-N 2.98Å; D278-K281 PolarHBondContact O-N 3.36Å; D278-K281 IonicContact OD1-NZ 3.67Å; D278-K281 PolarHBondContact OD1-NZ 3.09Å; L279-K281 PolarHBondContact O-N 3.12Å; K281-F283 VanDerWaalsContact C-N 3.31Å; K281-I284 PolarHBondContact O-N 3.46Å; K281-K285 WeakPolarHBondContact O-CB 3.44Å; K281-K285 PolarHBondContact O-N 2.96Å |
| 282 | S | 98.4 | Very high | 98.6 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 173.5 | 83.8 | 0 | 0 | 0 | 0 | 111.8 | D278 L279 Y280 K285 D286 | D278-S282 PolarHBondContact O-N 3.43Å; L279-S282 WeakPolarHBondContact O-CB 3.2Å; L279-S282 PolarHBondContact O-N 2.93Å; L279-S282 VanDerWaalsContact O-N 3.12Å; L279-S282 PolarHBondContact O-OG 2.8Å; Y280-S282 PolarHBondContact O-N 3Å; S282-K285 PolarHBondContact O-N 3.39Å; S282-D286 WeakPolarHBondContact O-CB 3.43Å; S282-D286 PolarHBondContact O-N 3.36Å |
| 283 | F | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.5 | -43.3 | 176.8 | -61.5 | -15 | 0 | 0 | 0 | 112.3 | M165 N220 K221 L224 M244 L279 Y280 K281 K285 D286 Y287 | M165-F283 HydrophobicContact CE-CE2 3.88Å; M165-F283 HydrophobicContact SD-CE2 4.03Å; N220-F283 HydrophobicContact CB-CE2 4.13Å; N220-F283 HydrophobicContact CB-CZ 3.96Å; K221-F283 HydrophobicContact CB-CE1 4.13Å; L224-F283 HydrophobicContact CD1-CB 3.77Å; L224-F283 HydrophobicContact CD1-CD1 3.76Å; L224-F283 HydrophobicContact CD1-CD2 3.78Å; L224-F283 HydrophobicContact CD1-CE1 4.27Å; L224-F283 HydrophobicContact CD1-CE2 4.27Å; L224-F283 HydrophobicContact CD1-CG 3.5Å; L224-F283 VanDerWaalsContact CD1-CG 3.5Å; M244-F283 HydrophobicContact CE-CD2 3.97Å; M244-F283 HydrophobicContact CE-CE2 4.1Å; M244-F283 HydrophobicContact SD-CD2 4.08Å; L279-F283 HydrophobicContact CD1-CD1 4.48Å; L279-F283 HydrophobicContact CD1-CE1 3.59Å; L279-F283 HydrophobicContact CD1-CE2 4.45Å; L279-F283 HydrophobicContact CD1-CZ 3.57Å; L279-F283 HydrophobicContact CD2-CE2 4.35Å; L279-F283 HydrophobicContact CD2-CZ 3.99Å; L279-F283 HydrophobicContact CG-CE1 4.01Å; L279-F283 HydrophobicContact CG-CE2 3.98Å; L279-F283 HydrophobicContact CG-CZ 3.57Å; L279-F283 PolarHBondContact O-N 3.12Å; L279-F283 VanDerWaalsContact O-N 3.1Å; Y280-F283 HydrophobicContact CD1-CD2 4.36Å; Y280-F283 WeakPolarHBondContact O-CA 3.31Å; Y280-F283 WeakPolarHBondContact O-CB 3.35Å; Y280-F283 PolarHBondContact O-N 3.47Å; K281-F283 VanDerWaalsContact C-N 3.31Å; F283-K285 PolarHBondContact O-N 2.97Å; F283-D286 PolarHBondContact O-N 3.35Å; F283-Y287 HydrophobicContact CB-CD2 4.43Å; F283-Y287 HydrophobicContact CD1-CE2 4.43Å; F283-Y287 WeakPolarHBondContact O-CB 3.34Å; F283-Y287 WeakPolarHBondContact O-CD2 3.5Å; F283-Y287 PolarHBondContact O-N 3.03Å |
| 284 | I | 98.6 | Very high | 98.6 | Very high | 40 Ų | 40 | 41 Ų | 41 | 21% | 0.205 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -34.8 | 176.4 | -63.5 | 164 | 0 | 0 | 0 | 111.2 | Y280 K281 V289 I292 F307 A311 I313 | Y280-I284 WeakPolarHBondContact O-CG1 3.06Å; Y280-I284 PolarHBondContact O-N 2.71Å; K281-I284 PolarHBondContact O-N 3.46Å; I284-V289 HydrophobicContact CG1-CB 4.49Å; I284-V289 HydrophobicContact CG1-CG1 4.38Å; I284-I292 HydrophobicContact CD1-CD1 4.18Å; I284-I292 HydrophobicContact CG1-CD1 4.22Å; I284-F307 HydrophobicContact CD1-CE2 4.47Å; I284-F307 HydrophobicContact CD1-CZ 4.13Å; I284-A311 HydrophobicContact CD1-CB 4.49Å; I284-I313 HydrophobicContact CD1-CD1 3.66Å; I284-I313 HydrophobicContact CD1-CG1 3.93Å; I284-I313 HydrophobicContact CG1-CD1 3.88Å; I284-I313 HydrophobicContact CG1-CG1 4.49Å; I284-I313 HydrophobicContact CG2-CG2 3.96Å |
| 285 | K | 98.2 | Very high | 98.6 | Very high | 175 Ų | 175 | 37.1 Ų | 37.1 | 76% | 0.761 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -73.5 | -43.8 | 178.1 | -177.9 | -174.1 | 173.4 | -171.8 | 0 | 112.7 | K281 S282 F283 | K281-K285 WeakPolarHBondContact O-CB 3.44Å; K281-K285 PolarHBondContact O-N 2.96Å; S282-K285 PolarHBondContact O-N 3.39Å; F283-K285 PolarHBondContact O-N 2.97Å |
| 286 | D | 98.1 | Very high | 98.6 | Very high | 68 Ų | 68 | 32 Ų | 32 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -92.6 | -17.2 | -168 | -67.5 | -8.8 | 0 | 0 | 0 | 113.3 | K221 S282 F283 | K221-D286 IonicContact NZ-OD2 2.73Å; S282-D286 WeakPolarHBondContact O-CB 3.43Å; S282-D286 PolarHBondContact O-N 3.36Å; F283-D286 PolarHBondContact O-N 3.35Å |
| 287 | Y | 98.6 | Very high | 98.6 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -134.8 | 158.2 | -176 | -54.5 | -80.6 | 0 | 0 | 0 | 111.4 | K221 L224 E225 K228 F283 V289 | K221-Y287 WeakPolarHBondContact CE-OH 3.33Å; K221-Y287 HydrophobicContact CG-CE2 4.14Å; K221-Y287 WeakPolarHBondContact CG-OH 3.39Å; L224-Y287 HydrophobicContact CB-CD1 3.78Å; L224-Y287 HydrophobicContact CB-CD2 3.95Å; L224-Y287 HydrophobicContact CB-CE1 3.78Å; L224-Y287 HydrophobicContact CB-CE2 3.94Å; L224-Y287 HydrophobicContact CB-CG 3.89Å; L224-Y287 HydrophobicContact CD1-CD2 3.57Å; L224-Y287 HydrophobicContact CD1-CE2 3.83Å; L224-Y287 HydrophobicContact CD1-CG 4.13Å; L224-Y287 HydrophobicContact CG-CD2 4.33Å; L224-Y287 HydrophobicContact CG-CG 4.47Å; E225-Y287 VanDerWaalsContact CD-OH 3.27Å; E225-Y287 HydrophobicContact CG-CE1 4.11Å; E225-Y287 WeakPolarHBondContact CG-OH 3.02Å; E225-Y287 WeakPolarHBondContact OE1-CE1 3.23Å; E225-Y287 PolarHBondContact OE1-OH 2.7Å; K228-Y287 HydrophobicContact CB-CD1 4.48Å; K228-Y287 HydrophobicContact CD-CD1 4.1Å; K228-Y287 HydrophobicContact CD-CE1 4.13Å; F283-Y287 HydrophobicContact CB-CD2 4.43Å; F283-Y287 HydrophobicContact CD1-CE2 4.43Å; F283-Y287 WeakPolarHBondContact O-CB 3.34Å; F283-Y287 WeakPolarHBondContact O-CD2 3.5Å; F283-Y287 PolarHBondContact O-N 3.03Å; Y287-V289 PolarHBondContact O-N 3.02Å |
| 288 | P | 98.1 | Very high | 98.6 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 38% | 0.377 | 17% | 0.171 | S | C | . | . | trans | -76.2 | 49.5 | 177.9 | 34.4 | -37.8 | 0 | 0 | 0 | 112.1 | V241 I242 V290 | V241-P288 WeakPolarHBondContact CB-O 2.83Å; V241-P288 HydrophobicContact CG1-CB 4.43Å; I242-P288 HydrophobicContact CD1-CG 4.22Å; I242-P288 HydrophobicContact CG1-CG 4.31Å; I242-P288 PolarHBondContact N-O 3.36Å; P288-V290 PolarHBondContact O-N 3.18Å | ||
| 289 | V | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.2 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | L224 I242 M244 I284 Y287 I292 I313 | L224-V289 HydrophobicContact CD2-CG2 4.07Å; I242-V289 HydrophobicContact CB-CG2 4.1Å; I242-V289 HydrophobicContact CG2-CG2 3.95Å; I242-V289 WeakPolarHBondContact O-CA 3.34Å; M244-V289 HydrophobicContact SD-CG1 4.29Å; M244-V289 HydrophobicContact SD-CG2 4.16Å; I284-V289 HydrophobicContact CG1-CB 4.49Å; I284-V289 HydrophobicContact CG1-CG1 4.38Å; Y287-V289 PolarHBondContact O-N 3.02Å; V289-I292 HydrophobicContact CG1-CD1 3.99Å; V289-I292 HydrophobicContact CG1-CG1 3.71Å; V289-I313 HydrophobicContact CG1-CD1 4.28Å |
| 290 | V | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 30.9 Ų | 30.9 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -7.5 | -177.2 | -59.6 | 0 | 0 | 0 | 0 | 113.6 | V241 I242 P288 I313 Q314 F428 | V241-V290 HydrophobicContact CB-CG1 3.89Å; V241-V290 HydrophobicContact CB-CG2 3.88Å; V241-V290 HydrophobicContact CG1-CG1 4.06Å; V241-V290 HydrophobicContact CG2-CB 4.42Å; V241-V290 HydrophobicContact CG2-CG1 4.17Å; V241-V290 HydrophobicContact CG2-CG2 3.38Å; I242-V290 PolarHBondContact O-N 2.99Å; P288-V290 PolarHBondContact O-N 3.18Å; V290-I313 WeakPolarHBondContact O-CB 3.32Å; V290-Q314 WeakPolarHBondContact O-CB 3.37Å; V290-Q314 PolarHBondContact O-N 3.43Å; V290-F428 HydrophobicContact CG2-CE1 4.49Å; V290-F428 HydrophobicContact CG2-CZ 4.08Å |
| 291 | S | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 128.9 | 179.2 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | G243 M244 Q314 V316 | G243-S291 CarbonylContact C-O 3.53Å; G243-S291 VanDerWaalsContact CA-O 3.28Å; G243-S291 WeakPolarHBondContact CA-O 3.42Å; M244-S291 PolarHBondContact N-O 3.3Å; S291-Q314 CarbonylContact C-O 3.57Å; S291-Q314 VanDerWaalsContact CA-O 3.3Å; S291-Q314 WeakPolarHBondContact CA-O 3.39Å; S291-Q314 PolarHBondContact OG-NE2 2.94Å; S291-V316 WeakPolarHBondContact OG-CG2 3.39Å |
| 292 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123.2 | 171 | -63.3 | 178.2 | 0 | 0 | 0 | 108.4 | M244 V246 Y280 I284 V289 P295 F307 I313 Q314 V315 V316 | M244-I292 HydrophobicContact CB-CG1 4.46Å; M244-I292 CarbonylContact O-C 3.48Å; M244-I292 WeakPolarHBondContact O-CA 3.47Å; V246-I292 HydrophobicContact CG2-CG2 3.77Å; Y280-I292 HydrophobicContact CD1-CD1 4.39Å; Y280-I292 HydrophobicContact CG-CD1 4.29Å; I284-I292 HydrophobicContact CD1-CD1 4.18Å; I284-I292 HydrophobicContact CG1-CD1 4.22Å; V289-I292 HydrophobicContact CG1-CD1 3.99Å; V289-I292 HydrophobicContact CG1-CG1 3.71Å; I292-P295 HydrophobicContact CG2-CB 3.91Å; I292-P295 HydrophobicContact CG2-CG 4.43Å; I292-F307 HydrophobicContact CD1-CZ 4.15Å; I292-I313 HydrophobicContact CB-CD1 4.27Å; I292-I313 HydrophobicContact CD1-CD1 3.93Å; I292-I313 HydrophobicContact CG1-CD1 3.74Å; I292-Q314 PolarHBondContact N-O 3.11Å; I292-V315 CarbonylContact O-C 3.6Å; I292-V315 VanDerWaalsContact O-CA 3.3Å; I292-V315 WeakPolarHBondContact O-CA 3.21Å; I292-V316 PolarHBondContact O-N 2.81Å |
| 293 | E | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 142.4 | 176 | -179.6 | -175.7 | 141.1 | 0 | 0 | 110.6 | M244 D245 V246 P295 V316 D318 L341 K394 | M244-E293 PolarHBondContact O-N 3.45Å; D245-E293 HydrophobicContact CB-CB 3.96Å; D245-E293 HydrophobicContact CB-CG 4.23Å; V246-E293 PolarHBondContact N-O 2.61Å; E293-P295 VanDerWaalsContact C-CD 3.41Å; E293-V316 WeakPolarHBondContact CA-O 3.31Å; E293-V316 HydrophobicContact CB-CB 3.73Å; E293-V316 HydrophobicContact CB-CG1 4.36Å; E293-V316 HydrophobicContact CB-CG2 4.29Å; E293-V316 HydrophobicContact CG-CB 3.9Å; E293-V316 HydrophobicContact CG-CG1 4.05Å; E293-D318 HydrophobicContact CG-CB 3.94Å; E293-D318 WeakPolarHBondContact OE1-CB 3.5Å; E293-L341 WeakPolarHBondContact OE1-CD2 3.45Å; E293-L341 WeakPolarHBondContact OE2-CD1 3.43Å; E293-K394 IonicContact OE1-NZ 2.7Å; E293-K394 PolarHBondContact OE1-NZ 3.36Å; E293-K394 WeakPolarHBondContact OE2-CE 3.46Å; E293-K394 IonicContact OE2-NZ 2.84Å; E293-K394 PolarHBondContact OE2-NZ 2.91Å |
| 294 | D | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | trans | 41.9 | 52.8 | 179.9 | -75.1 | 1.8 | 0 | 0 | 0 | 115 | A248 F296 W304 V316 D318 D319 | A248-D294 WeakPolarHBondContact CB-O 3.4Å; A248-D294 PolarHBondContact N-O 2.93Å; A248-D294 VanDerWaalsContact N-O 3.11Å; D294-F296 PolarHBondContact O-N 2.93Å; D294-F296 VanDerWaalsContact O-N 3.13Å; D294-W304 HydrophobicContact CB-CH2 4.42Å; D294-W304 HydrophobicContact CB-CZ2 4.38Å; D294-W304 VanDerWaalsContact OD1-CH2 3.24Å; D294-W304 WeakPolarHBondContact OD1-CH2 3.25Å; D294-V316 PolarHBondContact N-O 2.86Å; D294-V316 VanDerWaalsContact N-O 3.09Å; D294-D318 PolarHBondContact OD1-N 2.67Å; D294-D318 WeakPolarHBondContact OD2-CB 3.37Å; D294-D319 VanDerWaalsContact OD2-CB 3.27Å; D294-D319 WeakPolarHBondContact OD2-CB 3.36Å; D294-D319 PolarHBondContact OD2-N 3.28Å | ||
| 295 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -61.2 | -21.5 | 179.1 | 25.5 | -35.8 | 0 | 0 | 0 | 113.8 | A248 Y280 I292 E293 W304 F307 V315 | A248-P295 WeakPolarHBondContact CB-O 3.22Å; Y280-P295 HydrophobicContact CD2-CB 3.97Å; Y280-P295 HydrophobicContact CE2-CB 3.4Å; Y280-P295 VanDerWaalsContact CE2-CB 3.4Å; Y280-P295 VanDerWaalsContact CE2-O 3.25Å; Y280-P295 WeakPolarHBondContact CE2-O 3.43Å; Y280-P295 PolarHBondContact OH-O 3.46Å; I292-P295 HydrophobicContact CG2-CB 3.91Å; I292-P295 HydrophobicContact CG2-CG 4.43Å; E293-P295 VanDerWaalsContact C-CD 3.41Å; P295-W304 HydrophobicContact CG-CD2 4.45Å; P295-W304 HydrophobicContact CG-CE3 4.05Å; P295-W304 HydrophobicContact CG-CH2 4.3Å; P295-W304 HydrophobicContact CG-CZ3 4Å; P295-F307 HydrophobicContact CB-CD1 4.16Å; P295-F307 HydrophobicContact CB-CE1 4.11Å; P295-F307 HydrophobicContact CG-CD1 3.98Å; P295-F307 HydrophobicContact CG-CE1 4.15Å; P295-V315 HydrophobicContact CG-CG1 4.04Å | ||
| 296 | F | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -138.4 | 166.1 | -178.9 | -55.9 | -73.1 | 0 | 0 | 0 | 110.4 | Y257 P273 L276 A277 Y280 D294 D300 A303 W304 F307 | Y257-F296 HydrophobicContact CE2-CD1 4.03Å; Y257-F296 AromaticContact CZ-CD1 3.91Å; Y257-F296 WeakPolarHBondContact OH-CA 3.42Å; Y257-F296 VanDerWaalsContact OH-CB 3.31Å; Y257-F296 WeakPolarHBondContact OH-CB 3.42Å; P273-F296 HydrophobicContact CB-CD1 4.38Å; P273-F296 HydrophobicContact CB-CE1 4.35Å; P273-F296 WeakPolarHBondContact O-CE1 3.46Å; L276-F296 HydrophobicContact CB-CE1 4.35Å; L276-F296 HydrophobicContact CD2-CD1 4.27Å; L276-F296 HydrophobicContact CD2-CE1 4.29Å; L276-F296 HydrophobicContact CG-CE1 4.31Å; A277-F296 HydrophobicContact CB-CE1 4.42Å; A277-F296 HydrophobicContact CB-CZ 3.88Å; Y280-F296 HydrophobicContact CD2-CZ 4.28Å; Y280-F296 HydrophobicContact CE2-CE1 4.23Å; Y280-F296 HydrophobicContact CE2-CZ 4.03Å; D294-F296 PolarHBondContact O-N 2.93Å; D294-F296 VanDerWaalsContact O-N 3.13Å; F296-D300 HydrophobicContact CB-CB 4.29Å; F296-A303 HydrophobicContact CB-CB 4.07Å; F296-A303 HydrophobicContact CD1-CB 3.5Å; F296-A303 HydrophobicContact CD2-CB 3.85Å; F296-A303 HydrophobicContact CE1-CB 3.88Å; F296-A303 HydrophobicContact CE2-CB 4.23Å; F296-A303 HydrophobicContact CG-CB 3.49Å; F296-A303 VanDerWaalsContact CG-CB 3.49Å; F296-A303 HydrophobicContact CZ-CB 4.24Å; F296-W304 HydrophobicContact CB-CG 4.34Å; F296-W304 HydrophobicContact CD2-CD2 4.45Å; F296-W304 HydrophobicContact CD2-CG 4.23Å; F296-W304 WeakPolarHBondContact O-CZ2 3.16Å; F296-W304 PolarHBondContact O-NE1 2.94Å; F296-F307 HydrophobicContact CD2-CB 4.46Å; F296-F307 HydrophobicContact CE2-CB 3.35Å; F296-F307 AromaticContact CE2-CD1 3.9Å; F296-F307 HydrophobicContact CE2-CD1 3.9Å; F296-F307 AromaticContact CE2-CG 3.69Å; F296-F307 HydrophobicContact CE2-CG 3.69Å; F296-F307 HydrophobicContact CZ-CB 3.82Å; F296-F307 HydrophobicContact CZ-CG 4.08Å |
| 297 | D | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 24.2 Ų | 24.2 | 9% | 0.086 | 13% | 0.133 | C | C | . | . | trans | -55 | 147.6 | 176.6 | 176.1 | 78.1 | 0 | 0 | 0 | 112 | F252 Y257 D299 D300 W304 | F252-D297 HydrophobicContact CB-CB 3.82Å; F252-D297 HydrophobicContact CD1-CB 3.76Å; F252-D297 VanDerWaalsContact CD1-CG 3.47Å; F252-D297 HydrophobicContact CD2-CB 3.8Å; F252-D297 HydrophobicContact CE1-CB 4.18Å; F252-D297 HydrophobicContact CE2-CB 4.2Å; F252-D297 HydrophobicContact CG-CB 3.53Å; F252-D297 HydrophobicContact CZ-CB 4.37Å; Y257-D297 HydrophobicContact CE1-CB 4.28Å; Y257-D297 PolarHBondContact OH-N 3.47Å; D297-D299 PolarHBondContact O-N 3.1Å; D297-D299 PolarHBondContact OD2-N 3Å; D297-D300 HydrophobicContact CB-CB 4.07Å; D297-D300 PolarHBondContact O-N 3.01Å; D297-W304 PolarHBondContact O-NE1 3.17Å | ||
| 298 | Q | 97.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -16.1 | -179.1 | 65.4 | -163.5 | -36.8 | 0 | 0 | 115.3 | G42 Y44 S249 D319 L320 R327 | G42-Q298 VanDerWaalsContact CA-OE1 3.3Å; Y44-Q298 HydrophobicContact CE2-CG 4.4Å; S249-Q298 PolarHBondContact OG-N 3.12Å; S249-Q298 VanDerWaalsContact OG-N 3.1Å; Q298-D319 HydrophobicContact CB-CB 3.97Å; Q298-L320 WeakPolarHBondContact O-CD1 3.33Å; Q298-R327 PolarHBondContact O-NH2 3.14Å |
| 299 | D | 98.1 | Very high | 98.6 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 32% | 0.321 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 3.4 | 174.1 | -73.1 | -43.2 | 0 | 0 | 0 | 114.7 | Y44 D297 W301 R327 | Y44-D299 WeakPolarHBondContact CE2-OD1 3.47Å; Y44-D299 WeakPolarHBondContact CE2-OD2 3.22Å; Y44-D299 VanDerWaalsContact OH-CG 3.26Å; Y44-D299 PolarHBondContact OH-OD1 3.34Å; Y44-D299 PolarHBondContact OH-OD2 3.44Å; D297-D299 PolarHBondContact O-N 3.1Å; D297-D299 PolarHBondContact OD2-N 3Å; D299-W301 PolarHBondContact O-N 3.38Å; D299-R327 IonicContact OD1-CZ 3.41Å; D299-R327 IonicContact OD1-NH1 3.87Å; D299-R327 IonicContact OD1-NH2 3.92Å; D299-R327 PolarHBondContact OD1-NH2 2.77Å |
| 300 | D | 98.1 | Very high | 98.5 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 17% | 0.171 | 18% | 0.177 | C | C | . | . | trans | -81.7 | 54 | 173.6 | -168.3 | -0.1 | 0 | 0 | 0 | 112.1 | Y257 P273 F296 D297 G302 A303 W304 | Y257-D300 WeakPolarHBondContact OH-CB 3.48Å; Y257-D300 PolarHBondContact OH-OD2 2.97Å; P273-D300 WeakPolarHBondContact CG-OD2 3.22Å; F296-D300 HydrophobicContact CB-CB 4.29Å; D297-D300 HydrophobicContact CB-CB 4.07Å; D297-D300 PolarHBondContact O-N 3.01Å; D300-G302 PolarHBondContact O-N 2.99Å; D300-G302 VanDerWaalsContact O-N 3.08Å; D300-A303 HydrophobicContact CB-CB 4.36Å; D300-A303 PolarHBondContact O-N 3Å; D300-A303 WeakPolarHBondContact OD1-CB 3.33Å; D300-A303 PolarHBondContact OD1-N 2.78Å; D300-A303 VanDerWaalsContact OD2-CB 3.29Å; D300-A303 WeakPolarHBondContact OD2-CB 3.46Å; D300-W304 VanDerWaalsContact O-CD1 3.24Å; D300-W304 PolarHBondContact O-N 2.55Å | ||
| 301 | W | 98.5 | Very high | 98.4 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -50.1 | -37.9 | -175.7 | -69.9 | 94.8 | 0 | 0 | 0 | 113.1 | D299 W304 Q305 L320 K330 A331 E334 S336 | D299-W301 PolarHBondContact O-N 3.38Å; W301-W304 PolarHBondContact O-N 3Å; W301-Q305 VanDerWaalsContact O-CG 3.23Å; W301-Q305 WeakPolarHBondContact O-CG 3.4Å; W301-Q305 PolarHBondContact O-N 3.37Å; W301-L320 HydrophobicContact CD2-CD1 4.08Å; W301-L320 HydrophobicContact CE3-CD1 3.92Å; W301-L320 HydrophobicContact CH2-CD1 3.57Å; W301-L320 HydrophobicContact CH2-CG 4.01Å; W301-L320 HydrophobicContact CZ2-CD1 3.75Å; W301-L320 HydrophobicContact CZ3-CD1 3.63Å; W301-L320 HydrophobicContact CZ3-CD2 4.27Å; W301-L320 HydrophobicContact CZ3-CG 4.13Å; W301-K330 HydrophobicContact CD2-CD 4.37Å; W301-K330 VanDerWaalsContact CE2-CE 3.46Å; W301-K330 HydrophobicContact CE3-CG 4.49Å; W301-K330 HydrophobicContact CH2-CB 4.14Å; W301-K330 HydrophobicContact CH2-CD 3.78Å; W301-K330 HydrophobicContact CH2-CG 3.85Å; W301-K330 HydrophobicContact CZ2-CD 3.53Å; W301-K330 HydrophobicContact CZ2-CG 4.15Å; W301-K330 HydrophobicContact CZ3-CD 4.29Å; W301-K330 HydrophobicContact CZ3-CG 4.06Å; W301-A331 HydrophobicContact CH2-CB 3.96Å; W301-A331 HydrophobicContact CZ3-CB 3.63Å; W301-E334 WeakPolarHBondContact CB-OE2 3.42Å; W301-S336 VanDerWaalsContact CE3-OG 3.26Å; W301-S336 WeakPolarHBondContact CZ3-OG 3.29Å |
| 302 | G | 98.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D300 K306 | D300-G302 PolarHBondContact O-N 2.99Å; D300-G302 VanDerWaalsContact O-N 3.08Å; G302-K306 WeakPolarHBondContact O-CG 3.5Å; G302-K306 PolarHBondContact O-N 3.13Å |
| 303 | A | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 5% | 0.05 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P273 F296 D300 Q305 K306 F307 | P273-A303 HydrophobicContact CB-CB 3.71Å; F296-A303 HydrophobicContact CB-CB 4.07Å; F296-A303 HydrophobicContact CD1-CB 3.5Å; F296-A303 HydrophobicContact CD2-CB 3.85Å; F296-A303 HydrophobicContact CE1-CB 3.88Å; F296-A303 HydrophobicContact CE2-CB 4.23Å; F296-A303 HydrophobicContact CG-CB 3.49Å; F296-A303 VanDerWaalsContact CG-CB 3.49Å; F296-A303 HydrophobicContact CZ-CB 4.24Å; D300-A303 HydrophobicContact CB-CB 4.36Å; D300-A303 PolarHBondContact O-N 3Å; D300-A303 WeakPolarHBondContact OD1-CB 3.33Å; D300-A303 PolarHBondContact OD1-N 2.78Å; D300-A303 VanDerWaalsContact OD2-CB 3.29Å; D300-A303 WeakPolarHBondContact OD2-CB 3.46Å; A303-Q305 PolarHBondContact O-N 2.89Å; A303-K306 PolarHBondContact O-N 2.65Å; A303-F307 WeakPolarHBondContact O-CB 3.49Å; A303-F307 PolarHBondContact O-N 2.84Å |
| 304 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.2 | -51.3 | 174.1 | -79.2 | 95.5 | 0 | 0 | 0 | 112.3 | D294 P295 F296 D297 D300 W301 K306 F307 T308 V315 V316 L320 C337 | D294-W304 HydrophobicContact CB-CH2 4.42Å; D294-W304 HydrophobicContact CB-CZ2 4.38Å; D294-W304 VanDerWaalsContact OD1-CH2 3.24Å; D294-W304 WeakPolarHBondContact OD1-CH2 3.25Å; P295-W304 HydrophobicContact CG-CD2 4.45Å; P295-W304 HydrophobicContact CG-CE3 4.05Å; P295-W304 HydrophobicContact CG-CH2 4.3Å; P295-W304 HydrophobicContact CG-CZ3 4Å; F296-W304 HydrophobicContact CB-CG 4.34Å; F296-W304 HydrophobicContact CD2-CD2 4.45Å; F296-W304 HydrophobicContact CD2-CG 4.23Å; F296-W304 WeakPolarHBondContact O-CZ2 3.16Å; F296-W304 PolarHBondContact O-NE1 2.94Å; D297-W304 PolarHBondContact O-NE1 3.17Å; D300-W304 VanDerWaalsContact O-CD1 3.24Å; D300-W304 PolarHBondContact O-N 2.55Å; W301-W304 PolarHBondContact O-N 3Å; W304-K306 PolarHBondContact O-N 3Å; W304-F307 PolarHBondContact O-N 3.13Å; W304-T308 VanDerWaalsContact O-CB 3.3Å; W304-T308 WeakPolarHBondContact O-CB 3.12Å; W304-T308 PolarHBondContact O-N 2.82Å; W304-T308 PolarHBondContact O-OG1 3.41Å; W304-T308 VanDerWaalsContact O-OG1 3.12Å; W304-V315 HydrophobicContact CE3-CG1 4Å; W304-V315 HydrophobicContact CZ3-CG1 3.8Å; W304-V316 WeakPolarHBondContact CH2-O 3.36Å; W304-L320 HydrophobicContact CD2-CD1 4.43Å; W304-L320 HydrophobicContact CD2-CD2 3.69Å; W304-L320 HydrophobicContact CE3-CD2 3.72Å; W304-L320 HydrophobicContact CG-CD1 4.46Å; W304-L320 HydrophobicContact CG-CD2 4.25Å; W304-L320 HydrophobicContact CH2-CB 3.92Å; W304-L320 HydrophobicContact CH2-CD2 3.91Å; W304-L320 HydrophobicContact CH2-CG 4.49Å; W304-L320 HydrophobicContact CZ2-CB 3.64Å; W304-L320 HydrophobicContact CZ2-CD1 4.48Å; W304-L320 HydrophobicContact CZ2-CD2 3.97Å; W304-L320 HydrophobicContact CZ2-CG 4.23Å; W304-L320 HydrophobicContact CZ3-CD2 3.8Å; W304-C337 HydrophobicContact CE3-CB 4.03Å; W304-C337 HydrophobicContact CZ3-CB 3.8Å |
| 305 | Q | 98.5 | Very high | 98.3 | Very high | 74 Ų | 74 | 32.4 Ų | 32.4 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59 | -49.5 | -179.9 | -67.8 | 179.2 | 30.2 | 0 | 0 | 112.1 | W301 A303 F307 A309 E334 | W301-Q305 VanDerWaalsContact O-CG 3.23Å; W301-Q305 WeakPolarHBondContact O-CG 3.4Å; W301-Q305 PolarHBondContact O-N 3.37Å; A303-Q305 PolarHBondContact O-N 2.89Å; Q305-F307 PolarHBondContact O-N 3.11Å; Q305-A309 WeakPolarHBondContact O-CB 3.47Å; Q305-A309 PolarHBondContact O-N 2.83Å; Q305-A309 VanDerWaalsContact O-N 3.1Å; Q305-E334 HydrophobicContact CG-CB 4.17Å; Q305-E334 VanDerWaalsContact CG-O 3.26Å; Q305-E334 WeakPolarHBondContact CG-O 3.39Å; Q305-E334 PolarHBondContact NE2-OE2 2.9Å |
| 306 | K | 98.3 | Very high | 98.3 | Very high | 125 Ų | 125 | 32.4 Ų | 32.4 | 54% | 0.543 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.4 | -45.3 | -179.8 | -74.8 | 174.2 | 173.9 | -177 | 0 | 112 | D274 G302 A303 W304 S310 | D274-K306 IonicContact OD1-NZ 2.63Å; D274-K306 PolarHBondContact OD1-NZ 2.85Å; D274-K306 IonicContact OD2-NZ 3.87Å; G302-K306 WeakPolarHBondContact O-CG 3.5Å; G302-K306 PolarHBondContact O-N 3.13Å; A303-K306 PolarHBondContact O-N 2.65Å; W304-K306 PolarHBondContact O-N 3Å; K306-S310 PolarHBondContact O-OG 3.03Å |
| 307 | F | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.4 | -49.5 | -178.6 | 180 | -113.3 | 0 | 0 | 0 | 111.4 | A277 Y280 I284 I292 P295 F296 A303 W304 Q305 A309 S310 A311 V315 | A277-F307 HydrophobicContact CB-CD2 4.12Å; Y280-F307 HydrophobicContact CD2-CD2 4.45Å; Y280-F307 HydrophobicContact CD2-CE1 4.41Å; Y280-F307 HydrophobicContact CD2-CE2 4.01Å; Y280-F307 AromaticContact CD2-CZ 3.99Å; Y280-F307 HydrophobicContact CD2-CZ 3.99Å; Y280-F307 HydrophobicContact CG-CE2 4.31Å; Y280-F307 HydrophobicContact CG-CZ 4.2Å; I284-F307 HydrophobicContact CD1-CE2 4.47Å; I284-F307 HydrophobicContact CD1-CZ 4.13Å; I292-F307 HydrophobicContact CD1-CZ 4.15Å; P295-F307 HydrophobicContact CB-CD1 4.16Å; P295-F307 HydrophobicContact CB-CE1 4.11Å; P295-F307 HydrophobicContact CG-CD1 3.98Å; P295-F307 HydrophobicContact CG-CE1 4.15Å; F296-F307 HydrophobicContact CD2-CB 4.46Å; F296-F307 HydrophobicContact CE2-CB 3.35Å; F296-F307 AromaticContact CE2-CD1 3.9Å; F296-F307 HydrophobicContact CE2-CD1 3.9Å; F296-F307 AromaticContact CE2-CG 3.69Å; F296-F307 HydrophobicContact CE2-CG 3.69Å; F296-F307 HydrophobicContact CZ-CB 3.82Å; F296-F307 HydrophobicContact CZ-CG 4.08Å; A303-F307 WeakPolarHBondContact O-CB 3.49Å; A303-F307 PolarHBondContact O-N 2.84Å; W304-F307 PolarHBondContact O-N 3.13Å; Q305-F307 PolarHBondContact O-N 3.11Å; F307-A309 PolarHBondContact O-N 2.78Å; F307-S310 CarbonylContact O-C 3.58Å; F307-S310 PolarHBondContact O-N 2.97Å; F307-S310 PolarHBondContact O-OG 3.39Å; F307-A311 HydrophobicContact CD1-CB 4.23Å; F307-A311 HydrophobicContact CD2-CB 4.38Å; F307-A311 HydrophobicContact CE1-CB 3.9Å; F307-A311 HydrophobicContact CE2-CB 4.05Å; F307-A311 HydrophobicContact CG-CB 4.47Å; F307-A311 HydrophobicContact CZ-CB 3.79Å; F307-A311 WeakPolarHBondContact O-CB 3.43Å; F307-A311 PolarHBondContact O-N 3.02Å; F307-V315 HydrophobicContact CD1-CG1 4.49Å; F307-V315 HydrophobicContact CD1-CG2 4.24Å; F307-V315 HydrophobicContact CE1-CG2 4.02Å |
| 308 | T | 98.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 14% | 0.135 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -35.5 | -179.9 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | W304 S310 V315 K335 S336 | W304-T308 VanDerWaalsContact O-CB 3.3Å; W304-T308 WeakPolarHBondContact O-CB 3.12Å; W304-T308 PolarHBondContact O-N 2.82Å; W304-T308 PolarHBondContact O-OG1 3.41Å; W304-T308 VanDerWaalsContact O-OG1 3.12Å; T308-S310 PolarHBondContact O-N 3.08Å; T308-V315 WeakPolarHBondContact OG1-CG1 3.38Å; T308-K335 WeakPolarHBondContact CG2-O 3.48Å; T308-S336 WeakPolarHBondContact CB-O 3.37Å; T308-S336 PolarHBondContact OG1-O 2.88Å |
| 309 | A | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 30.9 Ų | 30.9 | 76% | 0.76 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -63.8 | -22.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q305 F307 | Q305-A309 WeakPolarHBondContact O-CB 3.47Å; Q305-A309 PolarHBondContact O-N 2.83Å; Q305-A309 VanDerWaalsContact O-N 3.1Å; F307-A309 PolarHBondContact O-N 2.78Å |
| 310 | S | 97.1 | Very high | 98.3 | Very high | 69 Ų | 69 | 28 Ų | 28 | 48% | 0.483 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -120 | -11.6 | -175.1 | 61.2 | 0 | 0 | 0 | 0 | 115 | K306 F307 T308 G312 | K306-S310 PolarHBondContact O-OG 3.03Å; F307-S310 CarbonylContact O-C 3.58Å; F307-S310 PolarHBondContact O-N 2.97Å; F307-S310 PolarHBondContact O-OG 3.39Å; T308-S310 PolarHBondContact O-N 3.08Å; S310-G312 PolarHBondContact O-N 3.35Å |
| 311 | A | 97.1 | Very high | 98.3 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.8 | -33.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I284 F307 I313 V315 | I284-A311 HydrophobicContact CD1-CB 4.49Å; F307-A311 HydrophobicContact CD1-CB 4.23Å; F307-A311 HydrophobicContact CD2-CB 4.38Å; F307-A311 HydrophobicContact CE1-CB 3.9Å; F307-A311 HydrophobicContact CE2-CB 4.05Å; F307-A311 HydrophobicContact CG-CB 4.47Å; F307-A311 HydrophobicContact CZ-CB 3.79Å; F307-A311 WeakPolarHBondContact O-CB 3.43Å; F307-A311 PolarHBondContact O-N 3.02Å; A311-I313 HydrophobicContact CB-CG1 4.05Å; A311-I313 PolarHBondContact O-N 3.46Å; A311-V315 HydrophobicContact CB-CG2 4.01Å |
| 312 | G | 97.2 | Very high | 98.3 | Very high | 76 Ų | 76 | 25.5 Ų | 25.5 | 78% | 0.784 | 18% | 0.176 | S | C | * | . | trans | 67.8 | 1.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S310 | S310-G312 PolarHBondContact O-N 3.35Š| ||
| 313 | I | 98.7 | Very high | 98.3 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -118.1 | -173.2 | -177.6 | 62.1 | 156.1 | 0 | 0 | 0 | 111.5 | I284 V289 V290 I292 A311 N338 R429 | I284-I313 HydrophobicContact CD1-CD1 3.66Å; I284-I313 HydrophobicContact CD1-CG1 3.93Å; I284-I313 HydrophobicContact CG1-CD1 3.88Å; I284-I313 HydrophobicContact CG1-CG1 4.49Å; I284-I313 HydrophobicContact CG2-CG2 3.96Å; V289-I313 HydrophobicContact CG1-CD1 4.28Å; V290-I313 WeakPolarHBondContact O-CB 3.32Å; I292-I313 HydrophobicContact CB-CD1 4.27Å; I292-I313 HydrophobicContact CD1-CD1 3.93Å; I292-I313 HydrophobicContact CG1-CD1 3.74Å; A311-I313 HydrophobicContact CB-CG1 4.05Å; A311-I313 PolarHBondContact O-N 3.46Å; I313-N338 PolarHBondContact O-ND2 3.28Å; I313-R429 PolarHBondContact O-NH2 3.39Å |
| 314 | Q | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.2 | 167.5 | -174.7 | 170 | -91 | 0 | 0 | 109.9 | V290 S291 I292 V316 N338 C339 | V290-Q314 WeakPolarHBondContact O-CB 3.37Å; V290-Q314 PolarHBondContact O-N 3.43Å; S291-Q314 CarbonylContact C-O 3.57Å; S291-Q314 VanDerWaalsContact CA-O 3.3Å; S291-Q314 WeakPolarHBondContact CA-O 3.39Å; S291-Q314 PolarHBondContact OG-NE2 2.94Å; I292-Q314 PolarHBondContact N-O 3.11Å; Q314-V316 HydrophobicContact CG-CG2 3.9Å; Q314-N338 WeakPolarHBondContact CA-OD1 3.45Å; Q314-C339 VanDerWaalsContact CD-SG 3.6Å; Q314-C339 HydrophobicContact CG-CB 3.49Å; Q314-C339 VanDerWaalsContact CG-CB 3.49Å |
| 315 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117 | 171.6 | -177.1 | 0 | 0 | 0 | 0 | 107 | I292 P295 W304 F307 T308 A311 C337 N338 C339 | I292-V315 CarbonylContact O-C 3.6Å; I292-V315 VanDerWaalsContact O-CA 3.3Å; I292-V315 WeakPolarHBondContact O-CA 3.21Å; P295-V315 HydrophobicContact CG-CG1 4.04Å; W304-V315 HydrophobicContact CE3-CG1 4Å; W304-V315 HydrophobicContact CZ3-CG1 3.8Å; F307-V315 HydrophobicContact CD1-CG1 4.49Å; F307-V315 HydrophobicContact CD1-CG2 4.24Å; F307-V315 HydrophobicContact CE1-CG2 4.02Å; T308-V315 WeakPolarHBondContact OG1-CG1 3.38Å; A311-V315 HydrophobicContact CB-CG2 4.01Å; V315-C337 HydrophobicContact CB-CB 4.36Å; V315-C337 HydrophobicContact CG1-CB 4.01Å; V315-C337 WeakPolarHBondContact O-CB 3.25Å; V315-N338 PolarHBondContact N-OD1 3.21Å; V315-N338 PolarHBondContact O-N 2.67Å; V315-N338 PolarHBondContact O-OD1 2.51Å; V315-C339 PolarHBondContact O-N 3.29Å |
| 316 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.3 | -171.4 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | S291 I292 E293 D294 W304 Q314 C339 L341 | S291-V316 WeakPolarHBondContact OG-CG2 3.39Å; I292-V316 PolarHBondContact O-N 2.81Å; E293-V316 WeakPolarHBondContact CA-O 3.31Å; E293-V316 HydrophobicContact CB-CB 3.73Å; E293-V316 HydrophobicContact CB-CG1 4.36Å; E293-V316 HydrophobicContact CB-CG2 4.29Å; E293-V316 HydrophobicContact CG-CB 3.9Å; E293-V316 HydrophobicContact CG-CG1 4.05Å; D294-V316 PolarHBondContact N-O 2.86Å; D294-V316 VanDerWaalsContact N-O 3.09Å; W304-V316 WeakPolarHBondContact CH2-O 3.36Å; Q314-V316 HydrophobicContact CG-CG2 3.9Å; V316-C339 CarbonylContact C-O 3.59Å; V316-C339 WeakPolarHBondContact CA-O 3.27Å; V316-C339 HydrophobicContact CB-CB 4.29Å; V316-C339 HydrophobicContact CG1-CB 4.33Å; V316-C339 HydrophobicContact CG2-CB 3.93Å; V316-L341 HydrophobicContact CG1-CB 3.76Å; V316-L341 HydrophobicContact CG1-CD1 4.18Å |
| 317 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T321 C339 L341 | G317-T321 PolarHBondContact O-OG1 3.06Å; G317-C339 PolarHBondContact N-O 2.96Å; G317-L341 PolarHBondContact O-N 3.42Å |
| 318 | D | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -104.5 | -85.9 | 170.5 | 175.9 | 26.6 | 0 | 0 | 0 | 109.9 | E293 D294 L320 T321 V322 L341 K343 Q346 | E293-D318 HydrophobicContact CG-CB 3.94Å; E293-D318 WeakPolarHBondContact OE1-CB 3.5Å; D294-D318 PolarHBondContact OD1-N 2.67Å; D294-D318 WeakPolarHBondContact OD2-CB 3.37Å; D318-L320 PolarHBondContact O-N 3.36Å; D318-T321 PolarHBondContact O-N 3.44Å; D318-V322 WeakPolarHBondContact O-CA 3.44Å; D318-V322 PolarHBondContact O-N 3.24Å; D318-L341 HydrophobicContact CB-CB 3.83Å; D318-L341 HydrophobicContact CB-CD2 3.65Å; D318-L341 HydrophobicContact CB-CG 4.38Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.47Å; D318-K343 WeakPolarHBondContact OD1-CD 3.33Å; D318-K343 IonicContact OD1-NZ 3.48Å; D318-K343 PolarHBondContact OD1-NZ 2.84Å; D318-K343 IonicContact OD2-NZ 3.69Å; D318-K343 PolarHBondContact OD2-NZ 2.91Å; D318-Q346 PolarHBondContact OD1-NE2 3.42Å |
| 319 | D | 96.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.2 | 178.3 | -70.9 | -24.7 | 0 | 0 | 0 | 112 | G42 D294 Q298 T321 V322 | G42-D319 VanDerWaalsContact CA-OD1 3.29Å; G42-D319 WeakPolarHBondContact CA-OD1 3.49Å; G42-D319 PolarHBondContact N-OD1 3.1Å; D294-D319 VanDerWaalsContact OD2-CB 3.27Å; D294-D319 WeakPolarHBondContact OD2-CB 3.36Å; D294-D319 PolarHBondContact OD2-N 3.28Å; Q298-D319 HydrophobicContact CB-CB 3.97Å; D319-T321 PolarHBondContact O-N 3Å; D319-V322 WeakPolarHBondContact O-CG1 3.47Å |
| 320 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -39.1 | 172.1 | -179.6 | 69.6 | 0 | 0 | 0 | 112 | Q298 W301 W304 D318 R327 A331 C337 | Q298-L320 WeakPolarHBondContact O-CD1 3.33Å; W301-L320 HydrophobicContact CD2-CD1 4.08Å; W301-L320 HydrophobicContact CE3-CD1 3.92Å; W301-L320 HydrophobicContact CH2-CD1 3.57Å; W301-L320 HydrophobicContact CH2-CG 4.01Å; W301-L320 HydrophobicContact CZ2-CD1 3.75Å; W301-L320 HydrophobicContact CZ3-CD1 3.63Å; W301-L320 HydrophobicContact CZ3-CD2 4.27Å; W301-L320 HydrophobicContact CZ3-CG 4.13Å; W304-L320 HydrophobicContact CD2-CD1 4.43Å; W304-L320 HydrophobicContact CD2-CD2 3.69Å; W304-L320 HydrophobicContact CE3-CD2 3.72Å; W304-L320 HydrophobicContact CG-CD1 4.46Å; W304-L320 HydrophobicContact CG-CD2 4.25Å; W304-L320 HydrophobicContact CH2-CB 3.92Å; W304-L320 HydrophobicContact CH2-CD2 3.91Å; W304-L320 HydrophobicContact CH2-CG 4.49Å; W304-L320 HydrophobicContact CZ2-CB 3.64Å; W304-L320 HydrophobicContact CZ2-CD1 4.48Å; W304-L320 HydrophobicContact CZ2-CD2 3.97Å; W304-L320 HydrophobicContact CZ2-CG 4.23Å; W304-L320 HydrophobicContact CZ3-CD2 3.8Å; D318-L320 PolarHBondContact O-N 3.36Å; L320-R327 WeakPolarHBondContact O-CD 3.42Å; L320-R327 PolarHBondContact O-NE 3Å; L320-A331 HydrophobicContact CD2-CB 4.21Å; L320-C337 HydrophobicContact CD2-CB 4.45Å |
| 321 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -24.7 | -169.1 | 69.8 | 0 | 0 | 0 | 0 | 114.1 | G317 D318 D319 T323 N324 I328 A331 L340 | G317-T321 PolarHBondContact O-OG1 3.06Å; D318-T321 PolarHBondContact O-N 3.44Å; D319-T321 PolarHBondContact O-N 3Å; T321-T323 PolarHBondContact O-N 3.19Å; T321-N324 WeakPolarHBondContact O-CB 3.28Å; T321-N324 PolarHBondContact O-N 3.3Å; T321-I328 HydrophobicContact CG2-CG1 4.34Å; T321-A331 HydrophobicContact CG2-CB 4.16Å; T321-L340 WeakPolarHBondContact OG1-CD1 3.29Å |
| 322 | V | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 36.7 | 179.3 | -66.9 | 0 | 0 | 0 | 0 | 113.8 | E45 D318 D319 N324 Q346 | E45-V322 HydrophobicContact CG-CB 4.07Å; E45-V322 HydrophobicContact CG-CG1 3.68Å; D318-V322 WeakPolarHBondContact O-CA 3.44Å; D318-V322 PolarHBondContact O-N 3.24Å; D319-V322 WeakPolarHBondContact O-CG1 3.47Å; V322-N324 HydrophobicContact CG2-CB 3.78Å; V322-N324 PolarHBondContact O-N 3.36Å; V322-Q346 VanDerWaalsContact C-OE1 3.25Å; V322-Q346 HydrophobicContact CB-CB 4.44Å; V322-Q346 VanDerWaalsContact O-CB 3.31Å; V322-Q346 WeakPolarHBondContact O-CB 3.29Å |
| 323 | T | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 22.3 | -174.1 | -47.2 | 0 | 0 | 0 | 0 | 113.4 | T321 L341 L342 K343 Q346 I347 A356 | T321-T323 PolarHBondContact O-N 3.19Å; T323-L341 PolarHBondContact OG1-O 3.2Å; T323-L342 HydrophobicContact CG2-CG 4Å; T323-K343 PolarHBondContact OG1-N 3.31Å; T323-K343 PolarHBondContact OG1-O 3.24Å; T323-Q346 PolarHBondContact OG1-OE1 3.34Å; T323-I347 HydrophobicContact CG2-CB 4.21Å; T323-I347 HydrophobicContact CG2-CG2 3.91Å; T323-A356 HydrophobicContact CG2-CB 3.93Å |
| 324 | N | 96.9 | Very high | 98.1 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | trans | -99.7 | 119.6 | -174.4 | -176.4 | -45.9 | 0 | 0 | 0 | 111 | T321 V322 K326 R327 I328 I347 | T321-N324 WeakPolarHBondContact O-CB 3.28Å; T321-N324 PolarHBondContact O-N 3.3Å; V322-N324 HydrophobicContact CG2-CB 3.78Å; V322-N324 PolarHBondContact O-N 3.36Å; N324-K326 PolarHBondContact O-N 3Å; N324-K326 VanDerWaalsContact O-N 3.07Å; N324-K326 WeakPolarHBondContact OD1-CB 3.47Å; N324-K326 PolarHBondContact OD1-N 2.89Å; N324-R327 PolarHBondContact O-N 3.08Å; N324-I328 VanDerWaalsContact O-CG1 3.32Å; N324-I328 WeakPolarHBondContact O-CG1 3.37Å; N324-I328 PolarHBondContact O-N 3.45Å; N324-I347 HydrophobicContact CB-CD1 4.27Å | ||
| 325 | P | 95.4 | Very high | 98 | Very high | 41 Ų | 41 | 35.1 Ų | 35.1 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -53 | -33 | -178.6 | -29.9 | 36.4 | 0 | 0 | 0 | 115.3 | A329 L359 | P325-A329 VanDerWaalsContact O-CB 3.28Å; P325-A329 WeakPolarHBondContact O-CB 3.45Å; P325-A329 PolarHBondContact O-N 2.93Å; P325-L359 HydrophobicContact CB-CD2 4.11Å; P325-L359 WeakPolarHBondContact O-CD2 3.34Å |
| 326 | K | 96.5 | Very high | 98 | Very high | 138 Ų | 138 | 35.1 Ų | 35.1 | 60% | 0.6 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -67.9 | -44.7 | 178.4 | -63.7 | -178 | -178 | 177.9 | 0 | 111.6 | E101 N324 A329 K330 | E101-K326 IonicContact OE1-NZ 2.71Å; E101-K326 PolarHBondContact OE1-NZ 2.62Å; N324-K326 PolarHBondContact O-N 3Å; N324-K326 VanDerWaalsContact O-N 3.07Å; N324-K326 WeakPolarHBondContact OD1-CB 3.47Å; N324-K326 PolarHBondContact OD1-N 2.89Å; K326-A329 PolarHBondContact O-N 2.92Å; K326-K330 PolarHBondContact O-N 3.37Å; K326-K330 VanDerWaalsContact O-N 3.1Å |
| 327 | R | 98.1 | Very high | 98 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.3 | -37 | 178.4 | -65.7 | -159.6 | 74.6 | 100.7 | -11.5 | 111.7 | Y44 Q298 D299 L320 N324 A329 K330 A331 | Y44-R327 VanDerWaalsContact CD2-CZ 3.46Å; Y44-R327 VanDerWaalsContact CD2-NH1 3.32Å; Y44-R327 VanDerWaalsContact CE2-CZ 3.41Å; Q298-R327 PolarHBondContact O-NH2 3.14Å; D299-R327 IonicContact OD1-CZ 3.41Å; D299-R327 IonicContact OD1-NH1 3.87Å; D299-R327 IonicContact OD1-NH2 3.92Å; D299-R327 PolarHBondContact OD1-NH2 2.77Å; L320-R327 WeakPolarHBondContact O-CD 3.42Å; L320-R327 PolarHBondContact O-NE 3Å; N324-R327 PolarHBondContact O-N 3.08Å; R327-A329 VanDerWaalsContact C-N 3.35Å; R327-A329 PolarHBondContact O-N 3.08Å; R327-K330 PolarHBondContact O-N 2.98Å; R327-A331 WeakPolarHBondContact O-CB 3.4Å; R327-A331 PolarHBondContact O-N 3.27Å |
| 328 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -49 | 171.3 | -64.6 | 165.1 | 0 | 0 | 0 | 110.1 | T321 N324 K330 A331 V332 L340 A356 L359 W365 | T321-I328 HydrophobicContact CG2-CG1 4.34Å; N324-I328 VanDerWaalsContact O-CG1 3.32Å; N324-I328 WeakPolarHBondContact O-CG1 3.37Å; N324-I328 PolarHBondContact O-N 3.45Å; I328-K330 VanDerWaalsContact C-N 3.32Å; I328-K330 PolarHBondContact O-N 3.15Å; I328-A331 PolarHBondContact O-N 2.92Å; I328-V332 HydrophobicContact CG2-CG2 4.31Å; I328-V332 WeakPolarHBondContact O-CB 3.34Å; I328-V332 VanDerWaalsContact O-CG2 3.32Å; I328-V332 WeakPolarHBondContact O-CG2 3.42Å; I328-V332 PolarHBondContact O-N 3.33Å; I328-L340 HydrophobicContact CD1-CD1 3.87Å; I328-L340 HydrophobicContact CD1-CD2 3.86Å; I328-L340 HydrophobicContact CD1-CG 4.49Å; I328-L340 HydrophobicContact CG1-CD1 4.07Å; I328-A356 HydrophobicContact CD1-CB 3.65Å; I328-L359 HydrophobicContact CB-CD2 3.91Å; I328-L359 HydrophobicContact CG2-CD2 3.63Å; I328-L359 HydrophobicContact CG2-CG 3.83Å; I328-W365 HydrophobicContact CG2-CZ3 4.42Å |
| 329 | A | 98.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 37 Ų | 37 | 31% | 0.314 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.9 | -41.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P325 K326 R327 N333 | P325-A329 VanDerWaalsContact O-CB 3.28Å; P325-A329 WeakPolarHBondContact O-CB 3.45Å; P325-A329 PolarHBondContact O-N 2.93Å; K326-A329 PolarHBondContact O-N 2.92Å; R327-A329 VanDerWaalsContact C-N 3.35Å; R327-A329 PolarHBondContact O-N 3.08Å; A329-N333 WeakPolarHBondContact O-CB 3.49Å; A329-N333 PolarHBondContact O-N 2.89Å; A329-N333 PolarHBondContact O-ND2 3.41Å |
| 330 | K | 98.5 | Very high | 98.2 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 34% | 0.343 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.6 | -50 | 173.2 | -177.3 | 178.2 | 173.9 | -169.5 | 0 | 111.5 | W301 K326 R327 I328 V332 N333 E334 | W301-K330 HydrophobicContact CD2-CD 4.37Å; W301-K330 VanDerWaalsContact CE2-CE 3.46Å; W301-K330 HydrophobicContact CE3-CG 4.49Å; W301-K330 HydrophobicContact CH2-CB 4.14Å; W301-K330 HydrophobicContact CH2-CD 3.78Å; W301-K330 HydrophobicContact CH2-CG 3.85Å; W301-K330 HydrophobicContact CZ2-CD 3.53Å; W301-K330 HydrophobicContact CZ2-CG 4.15Å; W301-K330 HydrophobicContact CZ3-CD 4.29Å; W301-K330 HydrophobicContact CZ3-CG 4.06Å; K326-K330 PolarHBondContact O-N 3.37Å; K326-K330 VanDerWaalsContact O-N 3.1Å; R327-K330 PolarHBondContact O-N 2.98Å; I328-K330 VanDerWaalsContact C-N 3.32Å; I328-K330 PolarHBondContact O-N 3.15Å; K330-V332 VanDerWaalsContact C-N 3.32Å; K330-V332 PolarHBondContact O-N 2.91Å; K330-N333 PolarHBondContact O-N 2.98Å; K330-N333 VanDerWaalsContact O-N 3.14Å; K330-E334 WeakPolarHBondContact CE-OE1 3.22Å; K330-E334 HydrophobicContact CG-CG 4.48Å; K330-E334 IonicContact NZ-OE1 2.82Å; K330-E334 WeakPolarHBondContact O-CB 3.4Å; K330-E334 PolarHBondContact O-N 3.4Å |
| 331 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -32.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W301 L320 T321 R327 I328 K335 S336 W365 | W301-A331 HydrophobicContact CH2-CB 3.96Å; W301-A331 HydrophobicContact CZ3-CB 3.63Å; L320-A331 HydrophobicContact CD2-CB 4.21Å; T321-A331 HydrophobicContact CG2-CB 4.16Å; R327-A331 WeakPolarHBondContact O-CB 3.4Å; R327-A331 PolarHBondContact O-N 3.27Å; I328-A331 PolarHBondContact O-N 2.92Å; A331-K335 WeakPolarHBondContact O-CA 3.36Å; A331-K335 PolarHBondContact O-N 2.81Å; A331-S336 PolarHBondContact O-N 3.14Å; A331-W365 HydrophobicContact CB-CH2 3.6Å; A331-W365 HydrophobicContact CB-CZ2 4.4Å |
| 332 | V | 98.5 | Very high | 98.2 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -52.4 | 168.6 | 165.3 | 0 | 0 | 0 | 0 | 110.8 | I328 K330 E334 K335 N363 W365 | I328-V332 HydrophobicContact CG2-CG2 4.31Å; I328-V332 WeakPolarHBondContact O-CB 3.34Å; I328-V332 VanDerWaalsContact O-CG2 3.32Å; I328-V332 WeakPolarHBondContact O-CG2 3.42Å; I328-V332 PolarHBondContact O-N 3.33Å; K330-V332 VanDerWaalsContact C-N 3.32Å; K330-V332 PolarHBondContact O-N 2.91Å; V332-E334 VanDerWaalsContact C-N 3.29Å; V332-E334 PolarHBondContact O-N 3.44Å; V332-K335 PolarHBondContact O-N 3.44Å; V332-K335 VanDerWaalsContact O-N 3.1Å; V332-N363 HydrophobicContact CG1-CB 3.88Å; V332-N363 WeakPolarHBondContact CG1-OD1 3.41Å; V332-N363 HydrophobicContact CG2-CB 3.87Å; V332-W365 HydrophobicContact CB-CZ2 4.22Å; V332-W365 HydrophobicContact CG2-CD2 4.23Å; V332-W365 HydrophobicContact CG2-CH2 3.94Å; V332-W365 HydrophobicContact CG2-CZ2 3.57Å; V332-W365 HydrophobicContact CG2-CZ3 4.42Å |
| 333 | N | 98.3 | Very high | 98.3 | Very high | 135 Ų | 135 | 37.3 Ų | 37.3 | 72% | 0.722 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -61.8 | -39.2 | -177.6 | -71.8 | -23.6 | 0 | 0 | 0 | 112.2 | A329 K330 K335 | A329-N333 WeakPolarHBondContact O-CB 3.49Å; A329-N333 PolarHBondContact O-N 2.89Å; A329-N333 PolarHBondContact O-ND2 3.41Å; K330-N333 PolarHBondContact O-N 2.98Å; K330-N333 VanDerWaalsContact O-N 3.14Å; N333-K335 VanDerWaalsContact C-N 3.33Å |
| 334 | E | 98.1 | Very high | 98.3 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -81.5 | -12.2 | 178.9 | -71.6 | -171.3 | -160.4 | 0 | 0 | 113 | W301 Q305 K330 V332 S336 | W301-E334 WeakPolarHBondContact CB-OE2 3.42Å; Q305-E334 HydrophobicContact CG-CB 4.17Å; Q305-E334 VanDerWaalsContact CG-O 3.26Å; Q305-E334 WeakPolarHBondContact CG-O 3.39Å; Q305-E334 PolarHBondContact NE2-OE2 2.9Å; K330-E334 WeakPolarHBondContact CE-OE1 3.22Å; K330-E334 HydrophobicContact CG-CG 4.48Å; K330-E334 IonicContact NZ-OE1 2.82Å; K330-E334 WeakPolarHBondContact O-CB 3.4Å; K330-E334 PolarHBondContact O-N 3.4Å; V332-E334 VanDerWaalsContact C-N 3.29Å; V332-E334 PolarHBondContact O-N 3.44Å; E334-S336 VanDerWaalsContact CB-OG 3.25Å; E334-S336 WeakPolarHBondContact CB-OG 3.4Å; E334-S336 PolarHBondContact O-N 3.31Å |
| 335 | K | 98.4 | Very high | 98.3 | Very high | 158 Ų | 158 | 36.5 Ų | 36.5 | 69% | 0.687 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 39 | -172.8 | -52.4 | 179 | 180 | -179.8 | 0 | 112.3 | T308 A331 V332 N333 | T308-K335 WeakPolarHBondContact CG2-O 3.48Å; A331-K335 WeakPolarHBondContact O-CA 3.36Å; A331-K335 PolarHBondContact O-N 2.81Å; V332-K335 PolarHBondContact O-N 3.44Å; V332-K335 VanDerWaalsContact O-N 3.1Å; N333-K335 VanDerWaalsContact C-N 3.33Å |
| 336 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -74 | -32.2 | -173.9 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | W301 T308 A331 E334 | W301-S336 VanDerWaalsContact CE3-OG 3.26Å; W301-S336 WeakPolarHBondContact CZ3-OG 3.29Å; T308-S336 WeakPolarHBondContact CB-O 3.37Å; T308-S336 PolarHBondContact OG1-O 2.88Å; A331-S336 PolarHBondContact O-N 3.14Å; E334-S336 VanDerWaalsContact CB-OG 3.25Å; E334-S336 WeakPolarHBondContact CB-OG 3.4Å; E334-S336 PolarHBondContact O-N 3.31Å | ||
| 337 | C | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | trans | -147.9 | -179.4 | 174.2 | 65.1 | 0 | 0 | 0 | 0 | 110 | W304 V315 L320 W365 | W304-C337 HydrophobicContact CE3-CB 4.03Å; W304-C337 HydrophobicContact CZ3-CB 3.8Å; V315-C337 HydrophobicContact CB-CB 4.36Å; V315-C337 HydrophobicContact CG1-CB 4.01Å; V315-C337 WeakPolarHBondContact O-CB 3.25Å; L320-C337 HydrophobicContact CD2-CB 4.45Å; C337-W365 WeakPolarHBondContact O-CZ2 3.21Å; C337-W365 PolarHBondContact O-NE1 3.22Å; C337-W365 WeakPolarHBondContact SG-CH2 3.47Å; C337-W365 WeakPolarHBondContact SG-CZ3 3.33Å | ||
| 338 | N | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 27.1 Ų | 27.1 | 20% | 0.203 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -137.6 | 15.2 | -179.5 | 66.1 | 27.2 | 0 | 0 | 0 | 113.4 | I313 Q314 V315 W365 G366 R429 | I313-N338 PolarHBondContact O-ND2 3.28Å; Q314-N338 WeakPolarHBondContact CA-OD1 3.45Å; V315-N338 PolarHBondContact N-OD1 3.21Å; V315-N338 PolarHBondContact O-N 2.67Å; V315-N338 PolarHBondContact O-OD1 2.51Å; N338-W365 VanDerWaalsContact O-CA 3.31Å; N338-W365 WeakPolarHBondContact O-CA 3.13Å; N338-W365 WeakPolarHBondContact O-CB 2.99Å; N338-G366 PolarHBondContact O-N 3.4Å; N338-R429 PolarHBondContact ND2-NH2 2.64Å |
| 339 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 140 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | Q314 V315 V316 G317 G366 | Q314-C339 VanDerWaalsContact CD-SG 3.6Å; Q314-C339 HydrophobicContact CG-CB 3.49Å; Q314-C339 VanDerWaalsContact CG-CB 3.49Å; V315-C339 PolarHBondContact O-N 3.29Å; V316-C339 CarbonylContact C-O 3.59Å; V316-C339 WeakPolarHBondContact CA-O 3.27Å; V316-C339 HydrophobicContact CB-CB 4.29Å; V316-C339 HydrophobicContact CG1-CB 4.33Å; V316-C339 HydrophobicContact CG2-CB 3.93Å; G317-C339 PolarHBondContact N-O 2.96Å; C339-G366 CarbonylContact C-O 3.19Å; C339-G366 VanDerWaalsContact CA-O 3.24Å; C339-G366 WeakPolarHBondContact CA-O 3.14Å; C339-G366 VanDerWaalsContact SG-C 3.51Å; C339-G366 PolarHBondContact SG-O 3Å |
| 340 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.2 | 170.9 | 168.2 | 64.6 | 0 | 0 | 0 | 109.3 | T321 I328 L342 A356 A360 W365 G366 V367 M368 | T321-L340 WeakPolarHBondContact OG1-CD1 3.29Å; I328-L340 HydrophobicContact CD1-CD1 3.87Å; I328-L340 HydrophobicContact CD1-CD2 3.86Å; I328-L340 HydrophobicContact CD1-CG 4.49Å; I328-L340 HydrophobicContact CG1-CD1 4.07Å; L340-L342 HydrophobicContact CD2-CB 4.36Å; L340-L342 HydrophobicContact CD2-CD1 4.46Å; L340-L342 HydrophobicContact CG-CB 4.4Å; L340-A356 HydrophobicContact CD2-CB 4.18Å; L340-A360 HydrophobicContact CB-CB 3.88Å; L340-A360 HydrophobicContact CD2-CB 4.02Å; L340-W365 HydrophobicContact CB-CE3 4.48Å; L340-G366 PolarHBondContact N-O 3.42Å; L340-V367 HydrophobicContact CB-CG1 4.5Å; L340-V367 HydrophobicContact CB-CG2 4.32Å; L340-V367 HydrophobicContact CD2-CG1 4.32Å; L340-V367 HydrophobicContact CG-CG1 4.47Å; L340-V367 CarbonylContact O-C 3.56Å; L340-V367 WeakPolarHBondContact O-CA 3.5Å; L340-M368 PolarHBondContact O-N 2.88Å |
| 341 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.1 | 156.9 | -161.8 | 80.9 | 0 | 0 | 0 | 109.2 | E293 V316 G317 D318 T323 K343 M368 K394 | E293-L341 WeakPolarHBondContact OE1-CD2 3.45Å; E293-L341 WeakPolarHBondContact OE2-CD1 3.43Å; V316-L341 HydrophobicContact CG1-CB 3.76Å; V316-L341 HydrophobicContact CG1-CD1 4.18Å; G317-L341 PolarHBondContact O-N 3.42Å; D318-L341 HydrophobicContact CB-CB 3.83Å; D318-L341 HydrophobicContact CB-CD2 3.65Å; D318-L341 HydrophobicContact CB-CG 4.38Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.47Å; T323-L341 PolarHBondContact OG1-O 3.2Å; L341-K343 HydrophobicContact CD2-CD 3.91Å; L341-K343 VanDerWaalsContact CD2-CE 3.42Å; L341-K343 HydrophobicContact CD2-CG 4.13Å; L341-M368 WeakPolarHBondContact CA-O 3.43Å; L341-M368 HydrophobicContact CD1-CB 3.94Å; L341-M368 HydrophobicContact CD1-CG 3.92Å; L341-M368 HydrophobicContact CD1-SD 3.9Å; L341-K394 HydrophobicContact CD1-CD 3.78Å; L341-K394 HydrophobicContact CD1-CG 4.13Å |
| 342 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 106.5 | -176.5 | -171.2 | 157.9 | 0 | 0 | 0 | 110 | T323 L340 V344 S353 C357 V367 M368 S370 L384 L388 | T323-L342 HydrophobicContact CG2-CG 4Å; L340-L342 HydrophobicContact CD2-CB 4.36Å; L340-L342 HydrophobicContact CD2-CD1 4.46Å; L340-L342 HydrophobicContact CG-CB 4.4Å; L342-V344 HydrophobicContact CD2-CG1 3.93Å; L342-S353 WeakPolarHBondContact CD1-O 3.31Å; L342-C357 HydrophobicContact CD1-CB 3.6Å; L342-V367 HydrophobicContact CB-CG1 3.74Å; L342-V367 HydrophobicContact CD1-CG1 3.89Å; L342-V367 HydrophobicContact CG-CG1 4.5Å; L342-M368 PolarHBondContact N-O 3.34Å; L342-S370 PolarHBondContact O-N 3.08Å; L342-L384 HydrophobicContact CD2-CD2 3.9Å; L342-L388 HydrophobicContact CD1-CD1 3.97Å |
| 343 | K | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 4% | 0.043 | 11% | 0.112 | C | C | . | . | trans | -115.1 | 108.9 | 173 | -72 | 167.2 | 167.3 | 164.1 | 0 | 108.7 | D318 T323 L341 N345 Q346 | D318-K343 WeakPolarHBondContact OD1-CD 3.33Å; D318-K343 IonicContact OD1-NZ 3.48Å; D318-K343 PolarHBondContact OD1-NZ 2.84Å; D318-K343 IonicContact OD2-NZ 3.69Å; D318-K343 PolarHBondContact OD2-NZ 2.91Å; T323-K343 PolarHBondContact OG1-N 3.31Å; T323-K343 PolarHBondContact OG1-O 3.24Å; L341-K343 HydrophobicContact CD2-CD 3.91Å; L341-K343 VanDerWaalsContact CD2-CE 3.42Å; L341-K343 HydrophobicContact CD2-CG 4.13Å; K343-N345 PolarHBondContact O-N 3.1Å; K343-Q346 HydrophobicContact CB-CB 4.27Å; K343-Q346 HydrophobicContact CB-CG 3.59Å; K343-Q346 HydrophobicContact CD-CG 3.99Å; K343-Q346 HydrophobicContact CG-CG 4.45Å; K343-Q346 WeakPolarHBondContact O-CB 3.38Å; K343-Q346 PolarHBondContact O-N 3.43Å | ||
| 344 | V | 98.4 | Very high | 98.6 | Very high | 7 Ų | 7 | 17 Ų | 17 | 4% | 0.042 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.1 | -29.5 | -174 | -65.6 | 0 | 0 | 0 | 0 | 113.8 | L112 L342 G348 S353 L384 | L112-V344 HydrophobicContact CD1-CB 4.07Å; L112-V344 HydrophobicContact CD1-CG2 4.21Å; L112-V344 HydrophobicContact CD2-CG2 4.19Å; L342-V344 HydrophobicContact CD2-CG1 3.93Å; V344-G348 PolarHBondContact O-N 3.05Å; V344-S353 WeakPolarHBondContact CA-OG 3.39Å; V344-L384 HydrophobicContact CG1-CD2 3.46Å; V344-L384 VanDerWaalsContact CG1-CD2 3.46Å |
| 345 | N | 98 | Very high | 98.6 | Very high | 10 Ų | 10 | 18.6 Ų | 18.6 | 5% | 0.053 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -80.7 | -17.1 | 179.7 | 78.9 | -44 | 0 | 0 | 0 | 114.2 | V35 P36 L112 K343 I347 R372 | V35-N345 HydrophobicContact CG1-CB 4.5Å; P36-N345 HydrophobicContact CG-CB 4.35Å; P36-N345 PolarHBondContact O-ND2 3.14Å; P36-N345 VanDerWaalsContact O-ND2 3.17Å; L112-N345 HydrophobicContact CD2-CB 3.43Å; L112-N345 VanDerWaalsContact CD2-CB 3.43Å; K343-N345 PolarHBondContact O-N 3.1Å; N345-I347 VanDerWaalsContact C-N 3.26Å; N345-I347 PolarHBondContact O-N 2.72Å; N345-R372 PolarHBondContact ND2-NH1 2.86Å; N345-R372 VanDerWaalsContact OD1-CD 3.26Å; N345-R372 WeakPolarHBondContact OD1-CD 3.49Å; N345-R372 WeakPolarHBondContact OD1-CG 3.42Å; N345-R372 PolarHBondContact OD1-NH1 2.92Å |
| 346 | Q | 97.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.009 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.8 | -27.9 | 173.2 | -67.7 | -174 | -41.6 | 0 | 0 | 112 | E45 A46 D318 V322 T323 K343 | E45-Q346 VanDerWaalsContact CD-CG 3.47Å; E45-Q346 HydrophobicContact CG-CB 4.1Å; E45-Q346 HydrophobicContact CG-CG 3.77Å; E45-Q346 PolarHBondContact OE1-NE2 2.76Å; A46-Q346 WeakPolarHBondContact CB-O 3.42Å; A46-Q346 PolarHBondContact N-O 2.82Å; D318-Q346 PolarHBondContact OD1-NE2 3.42Å; V322-Q346 VanDerWaalsContact C-OE1 3.25Å; V322-Q346 HydrophobicContact CB-CB 4.44Å; V322-Q346 VanDerWaalsContact O-CB 3.31Å; V322-Q346 WeakPolarHBondContact O-CB 3.29Å; T323-Q346 PolarHBondContact OG1-OE1 3.34Å; K343-Q346 HydrophobicContact CB-CB 4.27Å; K343-Q346 HydrophobicContact CB-CG 3.59Å; K343-Q346 HydrophobicContact CD-CG 3.99Å; K343-Q346 HydrophobicContact CG-CG 4.45Å; K343-Q346 WeakPolarHBondContact O-CB 3.38Å; K343-Q346 PolarHBondContact O-N 3.43Å |
| 347 | I | 98.3 | Very high | 98.6 | Very high | 10 Ų | 10 | 11.1 Ų | 11.1 | 5% | 0.051 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -106.1 | -29.9 | 176.9 | -161.1 | 56.5 | 0 | 0 | 0 | 112.9 | K103 T323 N324 N345 E352 S353 | K103-I347 WeakPolarHBondContact CD-O 3.31Å; K103-I347 WeakPolarHBondContact CE-O 3.48Å; K103-I347 PolarHBondContact NZ-O 3.23Å; T323-I347 HydrophobicContact CG2-CB 4.21Å; T323-I347 HydrophobicContact CG2-CG2 3.91Å; N324-I347 HydrophobicContact CB-CD1 4.27Å; N345-I347 VanDerWaalsContact C-N 3.26Å; N345-I347 PolarHBondContact O-N 2.72Å; I347-E352 HydrophobicContact CB-CB 4.44Å; I347-E352 HydrophobicContact CG1-CB 3.51Å; I347-E352 HydrophobicContact CG1-CG 4.31Å; I347-E352 HydrophobicContact CG2-CB 4.04Å; I347-S353 VanDerWaalsContact CG2-OG 3.28Å; I347-S353 WeakPolarHBondContact CG2-OG 3.49Å |
| 348 | G | 98.1 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | 93.4 | 5.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | I111 L112 V344 | I111-G348 WeakPolarHBondContact CG2-O 3.48Å; L112-G348 WeakPolarHBondContact CA-O 3.43Å; L112-G348 PolarHBondContact N-O 3.13Å; V344-G348 PolarHBondContact O-N 3.05Å | ||
| 349 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -148.2 | 154.8 | 169.3 | 75.5 | 0 | 0 | 0 | 0 | 112.2 | E352 S353 | S349-E352 WeakPolarHBondContact CB-OE2 3.36Å; S349-E352 WeakPolarHBondContact OG-CB 3.36Å; S349-E352 WeakPolarHBondContact OG-CG 3.48Å; S349-E352 PolarHBondContact OG-N 3.03Å; S349-E352 VanDerWaalsContact OG-N 3.15Å; S349-E352 PolarHBondContact OG-OE2 3.37Å; S349-S353 WeakPolarHBondContact O-CB 3.42Å; S349-S353 PolarHBondContact O-N 2.88Å; S349-S353 PolarHBondContact O-OG 2.88Å |
| 350 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | Q87 S115 L116 C119 E352 S353 L354 F380 | Q87-V350 HydrophobicContact CG-CB 4.35Å; Q87-V350 HydrophobicContact CG-CG1 4.26Å; S115-V350 WeakPolarHBondContact OG-CG2 3.14Å; S115-V350 PolarHBondContact OG-N 2.78Å; L116-V350 HydrophobicContact CD2-CG2 3.69Å; L116-V350 HydrophobicContact CG-CG2 4.44Å; C119-V350 HydrophobicContact CB-CG2 4.34Å; V350-E352 PolarHBondContact O-N 3.07Å; V350-S353 WeakPolarHBondContact O-CB 3.45Å; V350-S353 PolarHBondContact O-N 2.9Å; V350-S353 VanDerWaalsContact O-N 3.13Å; V350-L354 HydrophobicContact CG1-CD1 4.24Å; V350-L354 HydrophobicContact CG1-CG 4.22Å; V350-L354 WeakPolarHBondContact O-CG 3.34Å; V350-L354 PolarHBondContact O-N 2.83Å; V350-F380 HydrophobicContact CG1-CZ 4.33Å; V350-F380 HydrophobicContact CG2-CE1 4.28Å; V350-F380 HydrophobicContact CG2-CE2 4.48Å; V350-F380 HydrophobicContact CG2-CZ 3.73Å |
| 351 | T | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 10% | 0.098 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -57.2 | -49.7 | -178.2 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | E88 D91 S353 L354 Q355 | E88-T351 WeakPolarHBondContact CA-OG1 3.38Å; E88-T351 HydrophobicContact CB-CG2 4.23Å; E88-T351 HydrophobicContact CG-CG2 4.07Å; D91-T351 WeakPolarHBondContact OD2-CB 3.48Å; D91-T351 PolarHBondContact OD2-N 2.82Å; D91-T351 PolarHBondContact OD2-OG1 3.3Å; T351-S353 VanDerWaalsContact C-N 3.27Å; T351-S353 PolarHBondContact O-N 3.43Å; T351-L354 PolarHBondContact O-N 2.8Å; T351-Q355 WeakPolarHBondContact O-CG 3.35Å; T351-Q355 PolarHBondContact O-N 3.16Å |
| 352 | E | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 23 Ų | 23 | 16% | 0.159 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.5 | -32.1 | 179.3 | -67.7 | 163.2 | 107.8 | 0 | 0 | 111.6 | I95 K103 I347 S349 V350 Q355 A356 | I95-E352 HydrophobicContact CD1-CG 4.19Å; I95-E352 VanDerWaalsContact CD1-OE2 3.28Å; I95-E352 WeakPolarHBondContact CD1-OE2 3.4Å; K103-E352 WeakPolarHBondContact CE-OE2 3.37Å; K103-E352 IonicContact NZ-OE1 3.43Å; K103-E352 PolarHBondContact NZ-OE1 2.89Å; K103-E352 IonicContact NZ-OE2 3.6Å; K103-E352 PolarHBondContact NZ-OE2 2.94Å; I347-E352 HydrophobicContact CB-CB 4.44Å; I347-E352 HydrophobicContact CG1-CB 3.51Å; I347-E352 HydrophobicContact CG1-CG 4.31Å; I347-E352 HydrophobicContact CG2-CB 4.04Å; S349-E352 WeakPolarHBondContact CB-OE2 3.36Å; S349-E352 WeakPolarHBondContact OG-CB 3.36Å; S349-E352 WeakPolarHBondContact OG-CG 3.48Å; S349-E352 PolarHBondContact OG-N 3.03Å; S349-E352 VanDerWaalsContact OG-N 3.15Å; S349-E352 PolarHBondContact OG-OE2 3.37Å; V350-E352 PolarHBondContact O-N 3.07Å; E352-Q355 PolarHBondContact O-N 2.61Å; E352-A356 WeakPolarHBondContact O-CB 3.34Å; E352-A356 PolarHBondContact O-N 3.05Å |
| 353 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 112 | L342 V344 I347 S349 V350 T351 Q355 A356 C357 | L342-S353 WeakPolarHBondContact CD1-O 3.31Å; V344-S353 WeakPolarHBondContact CA-OG 3.39Å; I347-S353 VanDerWaalsContact CG2-OG 3.28Å; I347-S353 WeakPolarHBondContact CG2-OG 3.49Å; S349-S353 WeakPolarHBondContact O-CB 3.42Å; S349-S353 PolarHBondContact O-N 2.88Å; S349-S353 PolarHBondContact O-OG 2.88Å; V350-S353 WeakPolarHBondContact O-CB 3.45Å; V350-S353 PolarHBondContact O-N 2.9Å; V350-S353 VanDerWaalsContact O-N 3.13Å; T351-S353 VanDerWaalsContact C-N 3.27Å; T351-S353 PolarHBondContact O-N 3.43Å; S353-Q355 VanDerWaalsContact C-N 3.3Å; S353-Q355 PolarHBondContact O-N 2.84Å; S353-A356 PolarHBondContact O-N 3.29Å; S353-C357 PolarHBondContact O-N 3.48Å |
| 354 | L | 98.7 | Very high | 98.4 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.7 | -60.6 | -178.2 | 0 | 0 | 0 | 111 | I134 L137 V350 T351 C357 K358 L384 L388 | I134-L354 HydrophobicContact CG2-CD2 4.19Å; L137-L354 HydrophobicContact CB-CD1 3.58Å; L137-L354 HydrophobicContact CD1-CD1 4.35Å; V350-L354 HydrophobicContact CG1-CD1 4.24Å; V350-L354 HydrophobicContact CG1-CG 4.22Å; V350-L354 WeakPolarHBondContact O-CG 3.34Å; V350-L354 PolarHBondContact O-N 2.83Å; T351-L354 PolarHBondContact O-N 2.8Å; L354-C357 PolarHBondContact O-N 2.63Å; L354-K358 WeakPolarHBondContact O-CG 3.26Å; L354-K358 PolarHBondContact O-N 3.03Å; L354-L384 HydrophobicContact CD2-CD1 4.15Å; L354-L388 HydrophobicContact CD2-CD1 4.42Å; L354-L388 HydrophobicContact CD2-CD2 3.4Å; L354-L388 VanDerWaalsContact CD2-CD2 3.4Å; L354-L388 HydrophobicContact CD2-CG 4.09Å |
| 355 | Q | 98.6 | Very high | 98.4 | Very high | 92 Ų | 92 | 30.3 Ų | 30.3 | 43% | 0.43 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 177.1 | -70.5 | 170.2 | -6 | 0 | 0 | 112 | T351 E352 S353 K358 L359 | T351-Q355 WeakPolarHBondContact O-CG 3.35Å; T351-Q355 PolarHBondContact O-N 3.16Å; E352-Q355 PolarHBondContact O-N 2.61Å; S353-Q355 VanDerWaalsContact C-N 3.3Å; S353-Q355 PolarHBondContact O-N 2.84Å; Q355-K358 PolarHBondContact O-N 3.39Å; Q355-L359 WeakPolarHBondContact O-CB 3.38Å; Q355-L359 PolarHBondContact O-N 3.04Å |
| 356 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T323 I328 L340 E352 S353 L359 A360 | T323-A356 HydrophobicContact CG2-CB 3.93Å; I328-A356 HydrophobicContact CD1-CB 3.65Å; L340-A356 HydrophobicContact CD2-CB 4.18Å; E352-A356 WeakPolarHBondContact O-CB 3.34Å; E352-A356 PolarHBondContact O-N 3.05Å; S353-A356 PolarHBondContact O-N 3.29Å; A356-L359 PolarHBondContact O-N 2.84Å; A356-A360 PolarHBondContact O-N 2.62Å |
| 357 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 174.2 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | L342 S353 L354 L359 A360 Q361 L388 | L342-C357 HydrophobicContact CD1-CB 3.6Å; S353-C357 PolarHBondContact O-N 3.48Å; L354-C357 PolarHBondContact O-N 2.63Å; C357-L359 VanDerWaalsContact C-N 3.32Å; C357-L359 PolarHBondContact O-N 3.4Å; C357-A360 PolarHBondContact O-N 3.02Å; C357-Q361 WeakPolarHBondContact O-CG 3.3Å; C357-Q361 PolarHBondContact O-N 3.09Å; C357-Q361 VanDerWaalsContact SG-CD 3.59Å; C357-Q361 PolarHBondContact SG-OE1 2.94Å; C357-Q361 VanDerWaalsContact SG-OE1 3.36Å; C357-L388 HydrophobicContact CB-CD1 4.03Å; C357-L388 HydrophobicContact CB-CD2 4.04Å |
| 358 | K | 98 | Very high | 98.5 | Very high | 91 Ų | 91 | 29.7 Ų | 29.7 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 179.4 | -73.5 | -178.5 | -166.1 | -165 | 0 | 111.8 | L137 A138 L354 Q355 Q361 A362 | L137-K358 PolarHBondContact O-NZ 3.11Å; A138-K358 WeakPolarHBondContact O-CE 3.25Å; A138-K358 PolarHBondContact O-NZ 3.43Å; L354-K358 WeakPolarHBondContact O-CG 3.26Å; L354-K358 PolarHBondContact O-N 3.03Å; Q355-K358 PolarHBondContact O-N 3.39Å; K358-Q361 PolarHBondContact O-N 2.69Å; K358-A362 WeakPolarHBondContact O-CB 3.41Å; K358-A362 PolarHBondContact O-N 3.02Å |
| 359 | L | 98.5 | Very high | 98.5 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 27% | 0.267 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 177.2 | 177.5 | 61.9 | 0 | 0 | 0 | 111.3 | P325 I328 Q355 A356 C357 N363 | P325-L359 HydrophobicContact CB-CD2 4.11Å; P325-L359 WeakPolarHBondContact O-CD2 3.34Å; I328-L359 HydrophobicContact CB-CD2 3.91Å; I328-L359 HydrophobicContact CG2-CD2 3.63Å; I328-L359 HydrophobicContact CG2-CG 3.83Å; Q355-L359 WeakPolarHBondContact O-CB 3.38Å; Q355-L359 PolarHBondContact O-N 3.04Å; A356-L359 PolarHBondContact O-N 2.84Å; C357-L359 VanDerWaalsContact C-N 3.32Å; C357-L359 PolarHBondContact O-N 3.4Å; L359-N363 PolarHBondContact O-N 3.01Å; L359-N363 PolarHBondContact O-ND2 3.18Å |
| 360 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -52.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L340 A356 C357 A362 N363 G364 W365 V367 | L340-A360 HydrophobicContact CB-CB 3.88Å; L340-A360 HydrophobicContact CD2-CB 4.02Å; A356-A360 PolarHBondContact O-N 2.62Å; C357-A360 PolarHBondContact O-N 3.02Å; A360-A362 VanDerWaalsContact C-N 3.34Å; A360-A362 PolarHBondContact O-N 3.3Å; A360-N363 CarbonylContact O-C 3.59Å; A360-N363 PolarHBondContact O-N 2.73Å; A360-G364 PolarHBondContact O-N 2.87Å; A360-W365 HydrophobicContact CB-CB 4.11Å; A360-W365 HydrophobicContact CB-CE3 4.32Å; A360-W365 WeakPolarHBondContact O-CB 3.16Å; A360-W365 PolarHBondContact O-N 2.84Å; A360-V367 HydrophobicContact CB-CG2 3.72Å |
| 361 | Q | 97.9 | Very high | 98.5 | Very high | 61 Ų | 61 | 30 Ų | 30 | 29% | 0.285 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.8 | -38.8 | -178.4 | -72 | 173.8 | -40.6 | 0 | 0 | 112.7 | C357 K358 N363 G364 V367 L388 | C357-Q361 WeakPolarHBondContact O-CG 3.3Å; C357-Q361 PolarHBondContact O-N 3.09Å; C357-Q361 VanDerWaalsContact SG-CD 3.59Å; C357-Q361 PolarHBondContact SG-OE1 2.94Å; C357-Q361 VanDerWaalsContact SG-OE1 3.36Å; K358-Q361 PolarHBondContact O-N 2.69Å; Q361-N363 PolarHBondContact O-N 2.68Å; Q361-G364 PolarHBondContact O-N 3.28Å; Q361-V367 HydrophobicContact CG-CG2 3.91Å; Q361-L388 PolarHBondContact NE2-O 2.68Å |
| 362 | A | 97.4 | Very high | 98.4 | Very high | 87 Ų | 87 | 29.4 Ų | 29.4 | 72% | 0.719 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -63.7 | -23.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K358 A360 | K358-A362 WeakPolarHBondContact O-CB 3.41Å; K358-A362 PolarHBondContact O-N 3.02Å; A360-A362 VanDerWaalsContact C-N 3.34Å; A360-A362 PolarHBondContact O-N 3.3Å |
| 363 | N | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 28 Ų | 28 | 41% | 0.412 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 16.7 | 174.8 | -72 | -77 | 0 | 0 | 0 | 112.9 | V332 L359 A360 Q361 W365 | V332-N363 HydrophobicContact CG1-CB 3.88Å; V332-N363 WeakPolarHBondContact CG1-OD1 3.41Å; V332-N363 HydrophobicContact CG2-CB 3.87Å; L359-N363 PolarHBondContact O-N 3.01Å; L359-N363 PolarHBondContact O-ND2 3.18Å; A360-N363 CarbonylContact O-C 3.59Å; A360-N363 PolarHBondContact O-N 2.73Å; Q361-N363 PolarHBondContact O-N 2.68Å; N363-W365 VanDerWaalsContact C-N 3.26Å; N363-W365 PolarHBondContact O-N 3.05Å |
| 364 | G | 97.4 | Very high | 98 | Very high | 70 Ų | 70 | 28 Ų | 28 | 72% | 0.722 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 14.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A360 Q361 | A360-G364 PolarHBondContact O-N 2.87Å; Q361-G364 PolarHBondContact O-N 3.28Å |
| 365 | W | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | trans | -83.3 | 150.7 | 177 | -69.6 | 13.8 | 0 | 0 | 0 | 111.9 | I328 A331 V332 C337 N338 L340 A360 N363 | I328-W365 HydrophobicContact CG2-CZ3 4.42Å; A331-W365 HydrophobicContact CB-CH2 3.6Å; A331-W365 HydrophobicContact CB-CZ2 4.4Å; V332-W365 HydrophobicContact CB-CZ2 4.22Å; V332-W365 HydrophobicContact CG2-CD2 4.23Å; V332-W365 HydrophobicContact CG2-CH2 3.94Å; V332-W365 HydrophobicContact CG2-CZ2 3.57Å; V332-W365 HydrophobicContact CG2-CZ3 4.42Å; C337-W365 WeakPolarHBondContact O-CZ2 3.21Å; C337-W365 PolarHBondContact O-NE1 3.22Å; C337-W365 WeakPolarHBondContact SG-CH2 3.47Å; C337-W365 WeakPolarHBondContact SG-CZ3 3.33Å; N338-W365 VanDerWaalsContact O-CA 3.31Å; N338-W365 WeakPolarHBondContact O-CA 3.13Å; N338-W365 WeakPolarHBondContact O-CB 2.99Å; L340-W365 HydrophobicContact CB-CE3 4.48Å; A360-W365 HydrophobicContact CB-CB 4.11Å; A360-W365 HydrophobicContact CB-CE3 4.32Å; A360-W365 WeakPolarHBondContact O-CB 3.16Å; A360-W365 PolarHBondContact O-N 2.84Å; N363-W365 VanDerWaalsContact C-N 3.26Å; N363-W365 PolarHBondContact O-N 3.05Å | ||
| 366 | G | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 6% | 0.062 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 163.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N338 C339 L340 R429 | N338-G366 PolarHBondContact O-N 3.4Å; C339-G366 CarbonylContact C-O 3.19Å; C339-G366 VanDerWaalsContact CA-O 3.24Å; C339-G366 WeakPolarHBondContact CA-O 3.14Å; C339-G366 VanDerWaalsContact SG-C 3.51Å; C339-G366 PolarHBondContact SG-O 3Å; L340-G366 PolarHBondContact N-O 3.42Å; G366-R429 WeakPolarHBondContact CA-O 3.33Å |
| 367 | V | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.8 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | L340 L342 A360 Q361 T390 Q392 | L340-V367 HydrophobicContact CB-CG1 4.5Å; L340-V367 HydrophobicContact CB-CG2 4.32Å; L340-V367 HydrophobicContact CD2-CG1 4.32Å; L340-V367 HydrophobicContact CG-CG1 4.47Å; L340-V367 CarbonylContact O-C 3.56Å; L340-V367 WeakPolarHBondContact O-CA 3.5Å; L342-V367 HydrophobicContact CB-CG1 3.74Å; L342-V367 HydrophobicContact CD1-CG1 3.89Å; L342-V367 HydrophobicContact CG-CG1 4.5Å; A360-V367 HydrophobicContact CB-CG2 3.72Å; Q361-V367 HydrophobicContact CG-CG2 3.91Å; V367-T390 HydrophobicContact CB-CG2 3.92Å; V367-T390 HydrophobicContact CG1-CG2 3.99Å; V367-T390 WeakPolarHBondContact O-CB 3.36Å; V367-T390 PolarHBondContact O-OG1 3.34Å; V367-Q392 WeakPolarHBondContact O-CG 3.39Å |
| 368 | M | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109 | 172.9 | -176.9 | -176.9 | -61.6 | 0 | 0 | 108.7 | A149 L340 L341 L342 Q392 K394 | A149-M368 HydrophobicContact CB-CE 4.49Å; A149-M368 HydrophobicContact CB-SD 4.48Å; L340-M368 PolarHBondContact O-N 2.88Å; L341-M368 WeakPolarHBondContact CA-O 3.43Å; L341-M368 HydrophobicContact CD1-CB 3.94Å; L341-M368 HydrophobicContact CD1-CG 3.92Å; L341-M368 HydrophobicContact CD1-SD 3.9Å; L342-M368 PolarHBondContact N-O 3.34Å; M368-Q392 HydrophobicContact CB-CG 4.01Å; M368-Q392 HydrophobicContact CG-CG 4.35Å; M368-K394 HydrophobicContact CG-CB 4.39Å; M368-K394 HydrophobicContact CG-CG 4.41Å; M368-K394 HydrophobicContact SD-CB 3.75Å; M368-K394 HydrophobicContact SD-CD 3.91Å; M368-K394 HydrophobicContact SD-CG 3.91Å |
| 369 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 137.1 | 172.4 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | I381 L384 V385 L388 T390 Q392 I393 K394 | V369-I381 HydrophobicContact CG1-CB 3.85Å; V369-I381 HydrophobicContact CG1-CG2 4.31Å; V369-L384 HydrophobicContact CG1-CD2 4.08Å; V369-V385 HydrophobicContact CB-CB 3.83Å; V369-V385 HydrophobicContact CB-CG2 4Å; V369-V385 HydrophobicContact CG1-CB 4.23Å; V369-V385 HydrophobicContact CG2-CB 3.78Å; V369-V385 HydrophobicContact CG2-CG2 3.91Å; V369-L388 HydrophobicContact CG2-CD1 4.34Å; V369-T390 HydrophobicContact CG2-CG2 4.01Å; V369-Q392 PolarHBondContact N-O 3.28Å; V369-I393 CarbonylContact O-C 3.57Å; V369-I393 VanDerWaalsContact O-CA 3.32Å; V369-I393 WeakPolarHBondContact O-CA 3.34Å; V369-I393 WeakPolarHBondContact O-CG1 3.41Å; V369-K394 PolarHBondContact O-N 2.68Å |
| 370 | S | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.9 | -172.2 | -176.9 | 0 | 0 | 0 | 0 | 113 | L342 K394 | L342-S370 PolarHBondContact O-N 3.08Å; S370-K394 WeakPolarHBondContact CA-O 3.48Å; S370-K394 WeakPolarHBondContact OG-CE 3.46Å; S370-K394 WeakPolarHBondContact OG-CG 3.15Å |
| 371 | H | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | trans | -68.6 | -176 | 158.2 | 70.8 | 159.9 | 0 | 0 | 0 | 112.7 | E210 E375 I381 K394 G396 R403 | E210-H371 IonicContact OE1-CE1 2.97Å; E210-H371 PolarHBondContact OE1-CE1 3.19Å; E210-H371 IonicContact OE1-NE2 3.25Å; E210-H371 IonicContact OE2-CE1 2.83Å; E210-H371 PolarHBondContact OE2-CE1 3.5Å; E210-H371 IonicContact OE2-NE2 3.08Å; E210-H371 PolarHBondContact OE2-NE2 2.81Å; H371-E375 HydrophobicContact CB-CG 3.82Å; H371-I381 HydrophobicContact CB-CD1 3.82Å; H371-K394 PolarHBondContact CD2-O 3.41Å; H371-K394 VanDerWaalsContact CD2-O 3.25Å; H371-K394 PolarHBondContact N-O 2.79Å; H371-G396 VanDerWaalsContact CE1-CA 3.45Å; H371-G396 WeakPolarHBondContact CE1-CA 3.37Å; H371-G396 PolarHBondContact CE1-N 3.43Å; H371-G396 PolarHBondContact ND1-N 3.09Å; H371-R403 PolarHBondContact ND1-NH1 2.89Å | ||
| 372 | R | 97.3 | Very high | 98.2 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | trans | -118 | 164.4 | 159.1 | -53 | -61.6 | -66.1 | -102.6 | 11.4 | 110.4 | P36 S37 S40 E45 N345 G374 E375 R403 | P36-R372 HydrophobicContact CB-CB 4.01Å; P36-R372 HydrophobicContact CB-CG 3.84Å; P36-R372 HydrophobicContact CG-CG 3.99Å; S37-R372 WeakPolarHBondContact O-CB 3.35Å; S40-R372 PolarHBondContact O-NH2 3.02Å; E45-R372 IonicContact OE1-CZ 2.99Å; E45-R372 IonicContact OE1-NH1 3.3Å; E45-R372 IonicContact OE1-NH2 3.66Å; E45-R372 PolarHBondContact OE1-NH2 2.78Å; E45-R372 IonicContact OE2-CZ 3.89Å; E45-R372 IonicContact OE2-NH1 2.69Å; E45-R372 PolarHBondContact OE2-NH1 3.26Å; E45-R372 IonicContact OE2-NH2 3.98Å; E45-R372 PolarHBondContact OE2-NH2 3.29Å; E45-R372 VanDerWaalsContact OE2-NH2 3.08Å; N345-R372 PolarHBondContact ND2-NH1 2.86Å; N345-R372 VanDerWaalsContact OD1-CD 3.26Å; N345-R372 WeakPolarHBondContact OD1-CD 3.49Å; N345-R372 WeakPolarHBondContact OD1-CG 3.42Å; N345-R372 PolarHBondContact OD1-NH1 2.92Å; R372-G374 VanDerWaalsContact C-N 3.34Å; R372-G374 PolarHBondContact O-N 2.99Å; R372-E375 WeakPolarHBondContact O-CG 3.25Å; R372-R403 PolarHBondContact O-NH1 2.91Å | ||
| 373 | S | 93.1 | Very high | 98.2 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -64 | -34.7 | 176 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | S14 A39 H158 E210 R403 | S14-S373 PolarHBondContact OG-O 3.32Å; A39-S373 WeakPolarHBondContact CB-OG 3.4Å; A39-S373 PolarHBondContact N-OG 2.79Å; H158-S373 WeakPolarHBondContact NE2-CB 3.32Å; E210-S373 WeakPolarHBondContact OE1-CA 3.39Å; E210-S373 WeakPolarHBondContact OE1-CB 3.47Å; S373-R403 PolarHBondContact O-NH2 3.28Å |
| 374 | G | 96.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -90.7 | 93.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | P36 S37 R372 | P36-G374 CarbonylContact C-O 3.57Å; P36-G374 WeakPolarHBondContact CA-O 3.18Å; P36-G374 WeakPolarHBondContact CB-O 3.21Å; S37-G374 PolarHBondContact N-O 2.63Å; S37-G374 CarbonylContact O-C 3.46Å; S37-G374 WeakPolarHBondContact O-CA 3.4Å; S37-G374 PolarHBondContact O-N 2.94Å; R372-G374 VanDerWaalsContact C-N 3.34Å; R372-G374 PolarHBondContact O-N 2.99Å |
| 375 | E | 98.4 | Very high | 98.4 | Very high | 6 Ų | 6 | 12.5 Ų | 12.5 | 3% | 0.028 | 6% | 0.063 | C | C | . | . | trans | -101.3 | 175.2 | 176.2 | -106.1 | -71.2 | -170.9 | 0 | 0 | 112.2 | D13 S14 H371 R372 E402 R403 K406 | D13-E375 CarbonylContact C-O 3.54Å; D13-E375 WeakPolarHBondContact CA-O 3.36Å; S14-E375 WeakPolarHBondContact CB-O 3.44Å; S14-E375 PolarHBondContact N-O 3.1Å; S14-E375 PolarHBondContact OG-N 3.2Å; S14-E375 PolarHBondContact OG-O 3.15Å; H371-E375 HydrophobicContact CB-CG 3.82Å; R372-E375 WeakPolarHBondContact O-CG 3.25Å; E375-E402 HydrophobicContact CB-CB 3.91Å; E375-E402 HydrophobicContact CB-CG 3.66Å; E375-R403 VanDerWaalsContact CB-NH1 3.31Å; E375-K406 VanDerWaalsContact CD-CE 3.4Å; E375-K406 WeakPolarHBondContact OE1-CE 3.43Å; E375-K406 IonicContact OE1-NZ 2.89Å; E375-K406 PolarHBondContact OE1-NZ 3.49Å; E375-K406 IonicContact OE2-NZ 3.77Å; E375-K406 PolarHBondContact OE2-NZ 3.35Å | ||
| 376 | T | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 11.3 Ų | 11.3 | 3% | 0.025 | 6% | 0.059 | C | C | . | . | trans | -124.7 | -178.5 | 175.6 | 67.5 | 0 | 0 | 0 | 0 | 109.4 | I11 T19 A34 D378 E402 K406 | I11-T376 HydrophobicContact CD1-CG2 4.46Å; T19-T376 HydrophobicContact CG2-CG2 3.92Å; A34-T376 HydrophobicContact CB-CG2 3.87Å; T376-D378 PolarHBondContact O-N 3.19Å; T376-D378 VanDerWaalsContact OG1-CB 3.26Å; T376-D378 WeakPolarHBondContact OG1-CB 3.38Å; T376-D378 PolarHBondContact OG1-N 3.36Å; T376-D378 VanDerWaalsContact OG1-N 3.16Å; T376-E402 WeakPolarHBondContact O-CB 3.31Å; T376-K406 PolarHBondContact O-NZ 2.86Å | ||
| 377 | E | 98.7 | Very high | 98.4 | Very high | 126 Ų | 126 | 11 Ų | 11 | 59% | 0.589 | 6% | 0.056 | S | C | * | . | S | Bend | trans | -71.9 | -8.6 | 169.7 | 66.1 | -92.4 | -124.8 | 0 | 0 | 113.7 | T379 | E377-T379 PolarHBondContact O-N 3.48Š|
| 378 | D | 98.9 | Very high | 98.4 | Very high | 19 Ų | 19 | 11 Ų | 11 | 10% | 0.102 | 6% | 0.056 | C | C | . | . | trans | -60.5 | 136.5 | -179.7 | -161.9 | -50.8 | 0 | 0 | 0 | 110.9 | A33 A34 K120 T376 F380 K406 | A33-D378 WeakPolarHBondContact CA-OD2 3.38Å; A34-D378 HydrophobicContact CB-CB 4.32Å; A34-D378 PolarHBondContact N-OD2 3.31Å; K120-D378 IonicContact NZ-OD1 3.69Å; K120-D378 PolarHBondContact NZ-OD1 2.98Å; K120-D378 IonicContact NZ-OD2 3.94Å; K120-D378 PolarHBondContact NZ-OD2 3.1Å; T376-D378 PolarHBondContact O-N 3.19Å; T376-D378 VanDerWaalsContact OG1-CB 3.26Å; T376-D378 WeakPolarHBondContact OG1-CB 3.38Å; T376-D378 PolarHBondContact OG1-N 3.36Å; T376-D378 VanDerWaalsContact OG1-N 3.16Å; D378-F380 VanDerWaalsContact OD1-CB 3.26Å; D378-F380 WeakPolarHBondContact OD1-CB 3.37Å; D378-F380 PolarHBondContact OD1-N 3.01Å; D378-K406 WeakPolarHBondContact O-CD 3.21Å; D378-K406 WeakPolarHBondContact O-CE 3.49Å; D378-K406 PolarHBondContact O-NZ 2.91Å | ||
| 379 | T | 98.9 | Very high | 98.3 | Very high | 36 Ų | 36 | 11 Ų | 11 | 22% | 0.221 | 6% | 0.056 | C | C | . | . | trans | -107.2 | 9.6 | -175.7 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | E377 I381 A382 A405 Q409 | E377-T379 PolarHBondContact O-N 3.48Å; T379-I381 VanDerWaalsContact C-N 3.25Å; T379-I381 PolarHBondContact O-N 2.73Å; T379-A382 VanDerWaalsContact O-CB 3.27Å; T379-A382 WeakPolarHBondContact O-CB 3.06Å; T379-A382 PolarHBondContact O-N 3.46Å; T379-A405 HydrophobicContact CG2-CB 3.78Å; T379-A405 VanDerWaalsContact CG2-O 3.28Å; T379-A405 WeakPolarHBondContact CG2-O 3.33Å; T379-Q409 HydrophobicContact CG2-CB 4.1Å | ||
| 380 | F | 98.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 11.1 Ų | 11.1 | 3% | 0.026 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -48.5 | -42.8 | -173 | -174.2 | -89.4 | 0 | 0 | 0 | 114 | L116 C119 L130 I134 V350 D378 A382 D383 L384 | L116-F380 HydrophobicContact CB-CD2 4.43Å; L116-F380 HydrophobicContact CD2-CD1 3.45Å; L116-F380 VanDerWaalsContact CD2-CD1 3.45Å; L116-F380 HydrophobicContact CD2-CD2 3.73Å; L116-F380 HydrophobicContact CD2-CE1 3.38Å; L116-F380 HydrophobicContact CD2-CE2 3.68Å; L116-F380 HydrophobicContact CD2-CG 3.63Å; L116-F380 HydrophobicContact CD2-CZ 3.51Å; C119-F380 HydrophobicContact CB-CE2 3.92Å; C119-F380 HydrophobicContact CB-CZ 4.31Å; L130-F380 HydrophobicContact CD1-CE2 4.32Å; L130-F380 HydrophobicContact CD2-CD2 3.86Å; L130-F380 HydrophobicContact CD2-CE2 4.2Å; I134-F380 HydrophobicContact CD1-CE1 4.38Å; I134-F380 HydrophobicContact CD1-CE2 4.2Å; I134-F380 HydrophobicContact CD1-CZ 3.92Å; V350-F380 HydrophobicContact CG1-CZ 4.33Å; V350-F380 HydrophobicContact CG2-CE1 4.28Å; V350-F380 HydrophobicContact CG2-CE2 4.48Å; V350-F380 HydrophobicContact CG2-CZ 3.73Å; D378-F380 VanDerWaalsContact OD1-CB 3.26Å; D378-F380 WeakPolarHBondContact OD1-CB 3.37Å; D378-F380 PolarHBondContact OD1-N 3.01Å; F380-A382 PolarHBondContact O-N 3.11Å; F380-D383 PolarHBondContact O-N 3.34Å; F380-L384 HydrophobicContact CD1-CB 4.19Å; F380-L384 HydrophobicContact CD1-CD2 4.42Å; F380-L384 HydrophobicContact CE1-CB 4.08Å; F380-L384 HydrophobicContact CE1-CD1 4.02Å; F380-L384 HydrophobicContact CE1-CD2 4.13Å; F380-L384 HydrophobicContact CE1-CG 4.3Å; F380-L384 WeakPolarHBondContact O-CB 3.31Å; F380-L384 PolarHBondContact O-N 2.91Å |
| 381 | I | 98.9 | Very high | 98.3 | Very high | 11 Ų | 11 | 11 Ų | 11 | 6% | 0.056 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68 | -21 | -176.4 | 63.6 | 171.3 | 0 | 0 | 0 | 113.8 | V369 H371 T379 L384 V385 I393 K406 | V369-I381 HydrophobicContact CG1-CB 3.85Å; V369-I381 HydrophobicContact CG1-CG2 4.31Å; H371-I381 HydrophobicContact CB-CD1 3.82Å; T379-I381 VanDerWaalsContact C-N 3.25Å; T379-I381 PolarHBondContact O-N 2.73Å; I381-L384 HydrophobicContact CG2-CD2 4.47Å; I381-V385 WeakPolarHBondContact O-CG1 3.43Å; I381-V385 PolarHBondContact O-N 2.88Å; I381-I393 HydrophobicContact CD1-CD1 4.46Å; I381-I393 HydrophobicContact CG1-CD1 4.39Å; I381-K406 HydrophobicContact CD1-CG 3.99Å; I381-K406 HydrophobicContact CG1-CG 3.57Å |
| 382 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -68.8 | -44.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T379 F380 V385 V386 K406 Q409 L410 | T379-A382 VanDerWaalsContact O-CB 3.27Å; T379-A382 WeakPolarHBondContact O-CB 3.06Å; T379-A382 PolarHBondContact O-N 3.46Å; F380-A382 PolarHBondContact O-N 3.11Å; A382-V385 VanDerWaalsContact O-CG1 3.28Å; A382-V385 WeakPolarHBondContact O-CG1 3.46Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-K406 HydrophobicContact CB-CB 4.21Å; A382-K406 WeakPolarHBondContact CB-O 3.25Å; A382-Q409 HydrophobicContact CB-CB 3.74Å; A382-Q409 HydrophobicContact CB-CG 3.66Å; A382-L410 HydrophobicContact CB-CD2 4.14Å; A382-L410 HydrophobicContact CB-CG 3.88Å; A382-L410 WeakPolarHBondContact O-CD2 3.26Å |
| 383 | D | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 10.6 Ų | 10.6 | 3% | 0.032 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -70.2 | -35.5 | 173.2 | -75.3 | -99.2 | 0 | 0 | 0 | 111.7 | L130 Y131 I134 F380 V386 G387 Q409 | L130-D383 HydrophobicContact CB-CB 4.04Å; L130-D383 WeakPolarHBondContact CB-OD1 3.18Å; L130-D383 HydrophobicContact CD2-CB 3.72Å; L130-D383 HydrophobicContact CG-CB 3.71Å; Y131-D383 WeakPolarHBondContact CA-O 3.47Å; Y131-D383 WeakPolarHBondContact CB-O 3.42Å; Y131-D383 PolarHBondContact N-OD1 3.1Å; I134-D383 HydrophobicContact CD1-CB 4.22Å; F380-D383 PolarHBondContact O-N 3.34Å; D383-V386 PolarHBondContact O-N 3.06Å; D383-G387 PolarHBondContact O-N 3.23Å; D383-Q409 WeakPolarHBondContact OD2-CG 3.48Å; D383-Q409 PolarHBondContact OD2-NE2 3.34Å |
| 384 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61 | -50.7 | 178.5 | -175.6 | 65.5 | 0 | 0 | 0 | 112.2 | I134 L342 V344 L354 V369 F380 I381 V386 G387 L388 | I134-L384 HydrophobicContact CD1-CB 4.28Å; I134-L384 HydrophobicContact CD1-CD1 4.26Å; I134-L384 HydrophobicContact CG2-CD1 3.91Å; L342-L384 HydrophobicContact CD2-CD2 3.9Å; V344-L384 HydrophobicContact CG1-CD2 3.46Å; V344-L384 VanDerWaalsContact CG1-CD2 3.46Å; L354-L384 HydrophobicContact CD2-CD1 4.15Å; V369-L384 HydrophobicContact CG1-CD2 4.08Å; F380-L384 HydrophobicContact CD1-CB 4.19Å; F380-L384 HydrophobicContact CD1-CD2 4.42Å; F380-L384 HydrophobicContact CE1-CB 4.08Å; F380-L384 HydrophobicContact CE1-CD1 4.02Å; F380-L384 HydrophobicContact CE1-CD2 4.13Å; F380-L384 HydrophobicContact CE1-CG 4.3Å; F380-L384 WeakPolarHBondContact O-CB 3.31Å; F380-L384 PolarHBondContact O-N 2.91Å; I381-L384 HydrophobicContact CG2-CD2 4.47Å; L384-V386 VanDerWaalsContact C-N 3.28Å; L384-V386 PolarHBondContact O-N 3.4Å; L384-G387 PolarHBondContact O-N 2.91Å; L384-L388 HydrophobicContact CD1-CD1 3.69Å; L384-L388 HydrophobicContact CD1-CG 3.99Å; L384-L388 HydrophobicContact CD2-CD1 4.45Å; L384-L388 HydrophobicContact CG-CD1 3.76Å; L384-L388 HydrophobicContact CG-CG 4.33Å; L384-L388 VanDerWaalsContact O-CB 3.26Å; L384-L388 WeakPolarHBondContact O-CB 3.37Å; L384-L388 WeakPolarHBondContact O-CG 3.2Å; L384-L388 PolarHBondContact O-N 3.07Å |
| 385 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.9 | -37.7 | -177.8 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | P146 V369 I381 A382 C389 T390 Q392 I393 L410 | P146-V385 HydrophobicContact CB-CG1 4.36Å; P146-V385 HydrophobicContact CB-CG2 3.7Å; P146-V385 HydrophobicContact CG-CG1 3.72Å; P146-V385 HydrophobicContact CG-CG2 4.01Å; V369-V385 HydrophobicContact CB-CB 3.83Å; V369-V385 HydrophobicContact CB-CG2 4Å; V369-V385 HydrophobicContact CG1-CB 4.23Å; V369-V385 HydrophobicContact CG2-CB 3.78Å; V369-V385 HydrophobicContact CG2-CG2 3.91Å; I381-V385 WeakPolarHBondContact O-CG1 3.43Å; I381-V385 PolarHBondContact O-N 2.88Å; A382-V385 VanDerWaalsContact O-CG1 3.28Å; A382-V385 WeakPolarHBondContact O-CG1 3.46Å; V385-C389 PolarHBondContact O-N 3.37Å; V385-C389 VanDerWaalsContact O-N 3.17Å; V385-T390 VanDerWaalsContact CG2-OG1 3.29Å; V385-T390 WeakPolarHBondContact CG2-OG1 3.49Å; V385-T390 PolarHBondContact O-N 2.89Å; V385-Q392 WeakPolarHBondContact CG2-O 3.42Å; V385-I393 HydrophobicContact CB-CB 4.38Å; V385-I393 HydrophobicContact CB-CD1 4.36Å; V385-I393 HydrophobicContact CG1-CB 4.25Å; V385-I393 HydrophobicContact CG1-CD1 3.88Å; V385-I393 HydrophobicContact CG2-CB 4.06Å; V385-L410 HydrophobicContact CG1-CD2 3.95Å |
| 386 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.5 | -47.3 | 177 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | Y131 V143 I144 L145 A382 D383 L384 L388 C389 L410 I413 | Y131-V386 HydrophobicContact CD2-CG1 4.05Å; Y131-V386 HydrophobicContact CG-CG1 4.13Å; V143-V386 HydrophobicContact CB-CG1 3.71Å; V143-V386 HydrophobicContact CG1-CG1 4.25Å; V143-V386 HydrophobicContact CG2-CG1 4.15Å; I144-V386 WeakPolarHBondContact O-CA 3.19Å; L145-V386 HydrophobicContact CD2-CG2 4.03Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; D383-V386 PolarHBondContact O-N 3.06Å; L384-V386 VanDerWaalsContact C-N 3.28Å; L384-V386 PolarHBondContact O-N 3.4Å; V386-L388 VanDerWaalsContact C-N 3.34Å; V386-L388 PolarHBondContact O-N 2.97Å; V386-C389 PolarHBondContact O-N 3.47Å; V386-L410 HydrophobicContact CG2-CD2 3.56Å; V386-I413 HydrophobicContact CG1-CG2 4.01Å; V386-I413 HydrophobicContact CG2-CD1 4.31Å; V386-I413 HydrophobicContact CG2-CG2 4.17Å |
| 387 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y131 A135 N140 D383 L384 C389 | Y131-G387 VanDerWaalsContact O-CA 3.23Å; Y131-G387 WeakPolarHBondContact O-CA 3.34Å; A135-G387 VanDerWaalsContact CA-O 3.3Å; A135-G387 WeakPolarHBondContact CA-O 3.39Å; A135-G387 WeakPolarHBondContact CB-O 3.44Å; N140-G387 PolarHBondContact ND2-O 3.32Å; D383-G387 PolarHBondContact O-N 3.23Å; L384-G387 PolarHBondContact O-N 2.91Å; G387-C389 VanDerWaalsContact C-N 3.28Å; G387-C389 PolarHBondContact O-N 3.14Å |
| 388 | L | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -77.5 | -9.8 | 176.6 | -75.1 | -179.3 | 0 | 0 | 0 | 114.1 | I134 A138 N140 L342 L354 C357 Q361 V369 L384 V386 T390 | I134-L388 HydrophobicContact CG2-CG 4.47Å; A138-L388 HydrophobicContact CB-CD2 3.9Å; N140-L388 VanDerWaalsContact ND2-C 3.34Å; N140-L388 PolarHBondContact ND2-O 3.02Å; L342-L388 HydrophobicContact CD1-CD1 3.97Å; L354-L388 HydrophobicContact CD2-CD1 4.42Å; L354-L388 HydrophobicContact CD2-CD2 3.4Å; L354-L388 VanDerWaalsContact CD2-CD2 3.4Å; L354-L388 HydrophobicContact CD2-CG 4.09Å; C357-L388 HydrophobicContact CB-CD1 4.03Å; C357-L388 HydrophobicContact CB-CD2 4.04Å; Q361-L388 PolarHBondContact NE2-O 2.68Å; V369-L388 HydrophobicContact CG2-CD1 4.34Å; L384-L388 HydrophobicContact CD1-CD1 3.69Å; L384-L388 HydrophobicContact CD1-CG 3.99Å; L384-L388 HydrophobicContact CD2-CD1 4.45Å; L384-L388 HydrophobicContact CG-CD1 3.76Å; L384-L388 HydrophobicContact CG-CG 4.33Å; L384-L388 VanDerWaalsContact O-CB 3.26Å; L384-L388 WeakPolarHBondContact O-CB 3.37Å; L384-L388 WeakPolarHBondContact O-CG 3.2Å; L384-L388 PolarHBondContact O-N 3.07Å; V386-L388 VanDerWaalsContact C-N 3.34Å; V386-L388 PolarHBondContact O-N 2.97Å; L388-T390 HydrophobicContact CB-CG2 3.41Å; L388-T390 VanDerWaalsContact CB-CG2 3.41Å; L388-T390 HydrophobicContact CD1-CG2 4.24Å; L388-T390 HydrophobicContact CG-CG2 4.47Å; L388-T390 PolarHBondContact O-N 3.02Å |
| 389 | C | 98.6 | Very high | 98.8 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.007 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 38.3 | -177.9 | -60.1 | 0 | 0 | 0 | 0 | 113 | E142 V143 I144 V385 V386 G387 G391 P431 L432 | E142-C389 PolarHBondContact O-SG 3.12Å; V143-C389 VanDerWaalsContact CA-SG 3.57Å; I144-C389 HydrophobicContact CB-CB 4.4Å; I144-C389 HydrophobicContact CG1-CB 4.12Å; V385-C389 PolarHBondContact O-N 3.37Å; V385-C389 VanDerWaalsContact O-N 3.17Å; V386-C389 PolarHBondContact O-N 3.47Å; G387-C389 VanDerWaalsContact C-N 3.28Å; G387-C389 PolarHBondContact O-N 3.14Å; C389-G391 VanDerWaalsContact C-N 3.33Å; C389-P431 WeakPolarHBondContact O-CG 3.42Å; C389-L432 HydrophobicContact CB-CD1 3.75Å; C389-L432 HydrophobicContact CB-CD2 4.17Å; C389-L432 HydrophobicContact CB-CG 4.08Å |
| 390 | T | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 7.6 Ų | 7.6 | 1% | 0.012 | 4% | 0.037 | C | C | . | . | trans | -79.3 | -21.2 | -172.8 | 82.9 | 0 | 0 | 0 | 0 | 113.2 | V367 V369 V385 L388 Q392 | V367-T390 HydrophobicContact CB-CG2 3.92Å; V367-T390 HydrophobicContact CG1-CG2 3.99Å; V367-T390 WeakPolarHBondContact O-CB 3.36Å; V367-T390 PolarHBondContact O-OG1 3.34Å; V369-T390 HydrophobicContact CG2-CG2 4.01Å; V385-T390 VanDerWaalsContact CG2-OG1 3.29Å; V385-T390 WeakPolarHBondContact CG2-OG1 3.49Å; V385-T390 PolarHBondContact O-N 2.89Å; L388-T390 HydrophobicContact CB-CG2 3.41Å; L388-T390 VanDerWaalsContact CB-CG2 3.41Å; L388-T390 HydrophobicContact CD1-CG2 4.24Å; L388-T390 HydrophobicContact CG-CG2 4.47Å; L388-T390 PolarHBondContact O-N 3.02Å; T390-Q392 VanDerWaalsContact C-N 3.29Å; T390-Q392 PolarHBondContact O-N 3.38Å; T390-Q392 PolarHBondContact OG1-O 3.08Å; T390-Q392 VanDerWaalsContact OG1-O 3.13Å | ||
| 391 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | 82.2 | -1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P146 V147 C389 A424 F428 | P146-G391 CarbonylContact C-O 3.43Å; P146-G391 VanDerWaalsContact CA-C 3.47Å; P146-G391 WeakPolarHBondContact CA-O 3.36Å; V147-G391 PolarHBondContact N-O 3.23Å; C389-G391 VanDerWaalsContact C-N 3.33Å; G391-A424 WeakPolarHBondContact O-CB 3.33Å; G391-F428 WeakPolarHBondContact O-CB 3.39Å |
| 392 | Q | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 140.2 | -178.8 | 49.3 | -176.9 | -55.2 | 0 | 0 | 112.2 | V147 V367 M368 V369 V385 T390 F428 | V147-Q392 WeakPolarHBondContact O-CA 3.4Å; V367-Q392 WeakPolarHBondContact O-CG 3.39Å; M368-Q392 HydrophobicContact CB-CG 4.01Å; M368-Q392 HydrophobicContact CG-CG 4.35Å; V369-Q392 PolarHBondContact N-O 3.28Å; V385-Q392 WeakPolarHBondContact CG2-O 3.42Å; T390-Q392 VanDerWaalsContact C-N 3.29Å; T390-Q392 PolarHBondContact O-N 3.38Å; T390-Q392 PolarHBondContact OG1-O 3.08Å; T390-Q392 VanDerWaalsContact OG1-O 3.13Å; Q392-F428 HydrophobicContact CB-CB 4.36Å; Q392-F428 HydrophobicContact CB-CD2 4.06Å; Q392-F428 HydrophobicContact CG-CD2 4.27Å; Q392-F428 PolarHBondContact NE2-O 3.29Å |
| 393 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.1 | 177.8 | -174.6 | 168.6 | 0 | 0 | 0 | 109.9 | P146 V147 A149 V369 I381 V385 T395 L410 | P146-I393 HydrophobicContact CB-CB 4.24Å; P146-I393 HydrophobicContact CB-CG2 3.88Å; P146-I393 HydrophobicContact CG-CB 4.19Å; P146-I393 HydrophobicContact CG-CG2 3.54Å; V147-I393 PolarHBondContact O-N 2.98Å; V147-I393 VanDerWaalsContact O-N 3.1Å; A149-I393 PolarHBondContact N-O 2.8Å; V369-I393 CarbonylContact O-C 3.57Å; V369-I393 VanDerWaalsContact O-CA 3.32Å; V369-I393 WeakPolarHBondContact O-CA 3.34Å; V369-I393 WeakPolarHBondContact O-CG1 3.41Å; I381-I393 HydrophobicContact CD1-CD1 4.46Å; I381-I393 HydrophobicContact CG1-CD1 4.39Å; V385-I393 HydrophobicContact CB-CB 4.38Å; V385-I393 HydrophobicContact CB-CD1 4.36Å; V385-I393 HydrophobicContact CG1-CB 4.25Å; V385-I393 HydrophobicContact CG1-CD1 3.88Å; V385-I393 HydrophobicContact CG2-CB 4.06Å; I393-T395 HydrophobicContact CD1-CG2 3.85Å; I393-T395 HydrophobicContact CG1-CG2 4.04Å; I393-L410 HydrophobicContact CD1-CD1 4.35Å; I393-L410 HydrophobicContact CG2-CD1 4.02Å |
| 394 | K | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.1 | 160.8 | 77.6 | 176.6 | -162.4 | 172.8 | 0 | 109.7 | A149 E167 M169 D245 E293 L341 M368 V369 S370 H371 | A149-K394 HydrophobicContact CB-CB 4.09Å; E167-K394 IonicContact OE1-NZ 3.89Å; E167-K394 IonicContact OE2-NZ 2.67Å; E167-K394 PolarHBondContact OE2-NZ 2.95Å; M169-K394 HydrophobicContact CE-CD 4.5Å; M169-K394 HydrophobicContact SD-CB 4.13Å; M169-K394 HydrophobicContact SD-CD 4.17Å; D245-K394 IonicContact OD2-NZ 3.98Å; E293-K394 IonicContact OE1-NZ 2.7Å; E293-K394 PolarHBondContact OE1-NZ 3.36Å; E293-K394 WeakPolarHBondContact OE2-CE 3.46Å; E293-K394 IonicContact OE2-NZ 2.84Å; E293-K394 PolarHBondContact OE2-NZ 2.91Å; L341-K394 HydrophobicContact CD1-CD 3.78Å; L341-K394 HydrophobicContact CD1-CG 4.13Å; M368-K394 HydrophobicContact CG-CB 4.39Å; M368-K394 HydrophobicContact CG-CG 4.41Å; M368-K394 HydrophobicContact SD-CB 3.75Å; M368-K394 HydrophobicContact SD-CD 3.91Å; M368-K394 HydrophobicContact SD-CG 3.91Å; V369-K394 PolarHBondContact O-N 2.68Å; S370-K394 WeakPolarHBondContact CA-O 3.48Å; S370-K394 WeakPolarHBondContact OG-CE 3.46Å; S370-K394 WeakPolarHBondContact OG-CG 3.15Å; H371-K394 PolarHBondContact CD2-O 3.41Å; H371-K394 VanDerWaalsContact CD2-O 3.25Å; H371-K394 PolarHBondContact N-O 2.79Å |
| 395 | T | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -141 | 35.8 | 179.5 | -175 | 0 | 0 | 0 | 0 | 112.4 | I393 R403 K406 Y407 | I393-T395 HydrophobicContact CD1-CG2 3.85Å; I393-T395 HydrophobicContact CG1-CG2 4.04Å; T395-R403 WeakPolarHBondContact O-CA 3.49Å; T395-R403 WeakPolarHBondContact O-CB 3.14Å; T395-R403 WeakPolarHBondContact O-CD 3.47Å; T395-K406 HydrophobicContact CG2-CB 3.81Å; T395-Y407 HydrophobicContact CG2-CD1 3.72Å; T395-Y407 HydrophobicContact CG2-CD2 4.24Å; T395-Y407 HydrophobicContact CG2-CE1 3.22Å; T395-Y407 HydrophobicContact CG2-CE2 3.8Å; T395-Y407 HydrophobicContact CG2-CG 4.21Å; T395-Y407 PolarHBondContact N-OH 3.39Å | ||
| 396 | G | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | 91.2 | -174.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F150 H371 Y407 | F150-G396 WeakPolarHBondContact CA-O 3.5Å; H371-G396 VanDerWaalsContact CE1-CA 3.45Å; H371-G396 WeakPolarHBondContact CE1-CA 3.37Å; H371-G396 PolarHBondContact CE1-N 3.43Å; H371-G396 PolarHBondContact ND1-N 3.09Å; G396-Y407 PolarHBondContact N-OH 3.31Å; G396-Y407 WeakPolarHBondContact O-CE2 3.5Å; G396-Y407 PolarHBondContact O-OH 3.28Å | ||
| 397 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -65 | 165.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N151 Y189 E210 G211 C399 R403 | N151-A397 WeakPolarHBondContact O-CA 3.49Å; N151-A397 WeakPolarHBondContact O-CB 3.45Å; N151-A397 PolarHBondContact O-N 3.48Å; Y189-A397 HydrophobicContact CE2-CB 4.09Å; E210-A397 WeakPolarHBondContact O-CB 3.24Å; E210-A397 PolarHBondContact O-N 2.99Å; G211-A397 WeakPolarHBondContact O-CB 3.48Å; A397-C399 HydrophobicContact CB-CB 3.96Å; A397-C399 PolarHBondContact O-N 3.23Å; A397-R403 WeakPolarHBondContact O-CB 3.44Å | ||
| 398 | P | 98.6 | Very high | 98.7 | Very high | 16 Ų | 16 | 17.8 Ų | 17.8 | 10% | 0.104 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -72.3 | 46.8 | 160.6 | 34.3 | -36.5 | 0 | 0 | 0 | 111.2 | F150 A186 Y189 L404 | F150-P398 HydrophobicContact CD1-CB 4.39Å; F150-P398 HydrophobicContact CD1-CG 4.43Å; F150-P398 HydrophobicContact CE1-CB 4.43Å; A186-P398 HydrophobicContact CB-CB 4.38Å; Y189-P398 HydrophobicContact CD1-CG 4.05Å; Y189-P398 HydrophobicContact CD2-CG 4.33Å; Y189-P398 HydrophobicContact CG-CG 3.76Å; P398-L404 HydrophobicContact CB-CD2 4.45Å |
| 399 | C | 98.5 | Very high | 98.8 | Very high | 33 Ų | 33 | 19.5 Ų | 19.5 | 22% | 0.223 | 11% | 0.109 | C | C | . | . | trans | -150 | 150.6 | -177.9 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | Y189 A397 R403 | Y189-C399 HydrophobicContact CE1-CB 3.97Å; Y189-C399 WeakPolarHBondContact OH-CB 3.36Å; A397-C399 HydrophobicContact CB-CB 3.96Å; A397-C399 PolarHBondContact O-N 3.23Å; C399-R403 WeakPolarHBondContact O-CB 3.19Å; C399-R403 VanDerWaalsContact O-CG 3.25Å; C399-R403 WeakPolarHBondContact O-CG 3.35Å | ||
| 400 | R | 98.3 | Very high | 98.8 | Very high | 79 Ų | 79 | 19.5 Ų | 19.5 | 30% | 0.298 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 66 | 132.3 | -173.4 | -45.6 | 174.5 | 55.3 | 104.4 | 5.6 | 113.2 | S14 D209 E402 R403 L404 | S14-R400 PolarHBondContact O-NH2 3.19Å; D209-R400 PolarHBondContact O-NE 3.08Å; R400-E402 VanDerWaalsContact CB-OE1 3.3Å; R400-E402 WeakPolarHBondContact CB-OE1 3.49Å; R400-E402 WeakPolarHBondContact CB-OE2 3.4Å; R400-E402 IonicContact CZ-OE1 3.16Å; R400-E402 IonicContact NE-OE1 2.62Å; R400-E402 PolarHBondContact NE-OE1 3.48Å; R400-E402 IonicContact NE-OE2 3.62Å; R400-E402 IonicContact NH2-OE1 2.91Å; R400-E402 PolarHBondContact O-N 2.67Å; R400-R403 HydrophobicContact CB-CG 4.26Å; R400-R403 WeakPolarHBondContact O-CB 3.32Å; R400-R403 PolarHBondContact O-N 2.95Å; R400-R403 VanDerWaalsContact O-N 3.09Å; R400-L404 PolarHBondContact O-N 3.47Å; R400-L404 VanDerWaalsContact O-N 3.08Å |
| 401 | S | 98.8 | Very high | 98.8 | Very high | 91 Ų | 91 | 21.8 Ų | 21.8 | 64% | 0.636 | 12% | 0.121 | S | C | * | . | H | α-helix | trans | -74 | -24 | -164.3 | -65.5 | 0 | 0 | 0 | 0 | 114.2 | R403 L404 A405 | S401-R403 PolarHBondContact O-N 3.2Å; S401-L404 PolarHBondContact O-N 2.88Å; S401-A405 WeakPolarHBondContact O-CB 3.18Å; S401-A405 PolarHBondContact O-N 2.89Å |
| 402 | E | 98.7 | Very high | 98.8 | Very high | 20 Ų | 20 | 28.1 Ų | 28.1 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -22.6 | 171.4 | 78 | -78.5 | -172.9 | 0 | 0 | 112.1 | S14 E375 T376 R400 K406 | S14-E402 VanDerWaalsContact CB-CG 3.48Å; E375-E402 HydrophobicContact CB-CB 3.91Å; E375-E402 HydrophobicContact CB-CG 3.66Å; T376-E402 WeakPolarHBondContact O-CB 3.31Å; R400-E402 VanDerWaalsContact CB-OE1 3.3Å; R400-E402 WeakPolarHBondContact CB-OE1 3.49Å; R400-E402 WeakPolarHBondContact CB-OE2 3.4Å; R400-E402 IonicContact CZ-OE1 3.16Å; R400-E402 IonicContact NE-OE1 2.62Å; R400-E402 PolarHBondContact NE-OE1 3.48Å; R400-E402 IonicContact NE-OE2 3.62Å; R400-E402 IonicContact NH2-OE1 2.91Å; R400-E402 PolarHBondContact O-N 2.67Å; E402-K406 VanDerWaalsContact O-CD 3.24Å; E402-K406 WeakPolarHBondContact O-CD 3.45Å; E402-K406 WeakPolarHBondContact O-CE 3.11Å; E402-K406 PolarHBondContact O-NZ 3.17Å |
| 403 | R | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -87.4 | -54.8 | 173.9 | -43.5 | -51.7 | 166.6 | -179.9 | 7.6 | 109.9 | D209 H371 R372 S373 E375 T395 A397 C399 R400 S401 A405 K406 Y407 | D209-R403 PolarHBondContact O-NH2 3.47Å; H371-R403 PolarHBondContact ND1-NH1 2.89Å; R372-R403 PolarHBondContact O-NH1 2.91Å; S373-R403 PolarHBondContact O-NH2 3.28Å; E375-R403 VanDerWaalsContact CB-NH1 3.31Å; T395-R403 WeakPolarHBondContact O-CA 3.49Å; T395-R403 WeakPolarHBondContact O-CB 3.14Å; T395-R403 WeakPolarHBondContact O-CD 3.47Å; A397-R403 WeakPolarHBondContact O-CB 3.44Å; C399-R403 WeakPolarHBondContact O-CB 3.19Å; C399-R403 VanDerWaalsContact O-CG 3.25Å; C399-R403 WeakPolarHBondContact O-CG 3.35Å; R400-R403 HydrophobicContact CB-CG 4.26Å; R400-R403 WeakPolarHBondContact O-CB 3.32Å; R400-R403 PolarHBondContact O-N 2.95Å; R400-R403 VanDerWaalsContact O-N 3.09Å; S401-R403 PolarHBondContact O-N 3.2Å; R403-A405 PolarHBondContact O-N 3.23Å; R403-A405 VanDerWaalsContact O-N 3.16Å; R403-K406 PolarHBondContact O-N 2.9Å; R403-K406 VanDerWaalsContact O-N 3.08Å; R403-Y407 HydrophobicContact CB-CE2 4.46Å; R403-Y407 WeakPolarHBondContact O-CD2 3.35Å; R403-Y407 PolarHBondContact O-N 3.03Å |
| 404 | L | 98.9 | Very high | 98.8 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -26.1 | -179.5 | -66.6 | 171.4 | 0 | 0 | 0 | 112.7 | P398 R400 S401 K406 Y407 N408 | P398-L404 HydrophobicContact CB-CD2 4.45Å; R400-L404 PolarHBondContact O-N 3.47Å; R400-L404 VanDerWaalsContact O-N 3.08Å; S401-L404 PolarHBondContact O-N 2.88Å; L404-K406 VanDerWaalsContact C-N 3.28Å; L404-K406 PolarHBondContact O-N 2.93Å; L404-Y407 HydrophobicContact CD2-CD2 4.5Å; L404-Y407 PolarHBondContact O-N 2.8Å; L404-N408 WeakPolarHBondContact O-CB 3.17Å; L404-N408 PolarHBondContact O-N 2.68Å; L404-N408 PolarHBondContact O-ND2 2.87Å; L404-N408 VanDerWaalsContact O-ND2 3.12Å |
| 405 | A | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 37 Ų | 37 | 17% | 0.165 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.8 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T379 S401 R403 Q409 | T379-A405 HydrophobicContact CG2-CB 3.78Å; T379-A405 VanDerWaalsContact CG2-O 3.28Å; T379-A405 WeakPolarHBondContact CG2-O 3.33Å; S401-A405 WeakPolarHBondContact O-CB 3.18Å; S401-A405 PolarHBondContact O-N 2.89Å; R403-A405 PolarHBondContact O-N 3.23Å; R403-A405 VanDerWaalsContact O-N 3.16Å; A405-Q409 WeakPolarHBondContact O-CB 3.23Å; A405-Q409 PolarHBondContact O-N 2.61Å |
| 406 | K | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.3 | -46.1 | 178.9 | -72.8 | 65 | 159 | 173.1 | 0 | 111 | E375 T376 D378 I381 A382 T395 E402 R403 L404 N408 Q409 L410 | E375-K406 VanDerWaalsContact CD-CE 3.4Å; E375-K406 WeakPolarHBondContact OE1-CE 3.43Å; E375-K406 IonicContact OE1-NZ 2.89Å; E375-K406 PolarHBondContact OE1-NZ 3.49Å; E375-K406 IonicContact OE2-NZ 3.77Å; E375-K406 PolarHBondContact OE2-NZ 3.35Å; T376-K406 PolarHBondContact O-NZ 2.86Å; D378-K406 WeakPolarHBondContact O-CD 3.21Å; D378-K406 WeakPolarHBondContact O-CE 3.49Å; D378-K406 PolarHBondContact O-NZ 2.91Å; I381-K406 HydrophobicContact CD1-CG 3.99Å; I381-K406 HydrophobicContact CG1-CG 3.57Å; A382-K406 HydrophobicContact CB-CB 4.21Å; A382-K406 WeakPolarHBondContact CB-O 3.25Å; T395-K406 HydrophobicContact CG2-CB 3.81Å; E402-K406 VanDerWaalsContact O-CD 3.24Å; E402-K406 WeakPolarHBondContact O-CD 3.45Å; E402-K406 WeakPolarHBondContact O-CE 3.11Å; E402-K406 PolarHBondContact O-NZ 3.17Å; R403-K406 PolarHBondContact O-N 2.9Å; R403-K406 VanDerWaalsContact O-N 3.08Å; L404-K406 VanDerWaalsContact C-N 3.28Å; L404-K406 PolarHBondContact O-N 2.93Å; K406-N408 VanDerWaalsContact C-N 3.34Å; K406-N408 PolarHBondContact O-N 3.04Å; K406-Q409 WeakPolarHBondContact O-CB 3.23Å; K406-Q409 PolarHBondContact O-N 2.78Å; K406-Q409 VanDerWaalsContact O-N 3.12Å; K406-L410 WeakPolarHBondContact O-CG 3.3Å; K406-L410 PolarHBondContact O-N 3.02Å |
| 407 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 177 | -68 | -48 | 0 | 0 | 0 | 112.7 | P148 F150 F178 M182 T395 G396 R403 L404 Q409 L410 L411 | P148-Y407 HydrophobicContact CB-CD1 4.27Å; P148-Y407 HydrophobicContact CB-CE1 3.63Å; F150-Y407 HydrophobicContact CD1-CE1 4.08Å; F150-Y407 AromaticContact CD1-CE2 3.74Å; F150-Y407 HydrophobicContact CD1-CE2 3.74Å; F150-Y407 AromaticContact CD1-CZ 3.48Å; F150-Y407 VanDerWaalsContact CD1-CZ 3.48Å; F150-Y407 WeakPolarHBondContact CD1-OH 3.28Å; F150-Y407 HydrophobicContact CE1-CD1 4.02Å; F150-Y407 HydrophobicContact CE1-CD2 4.09Å; F150-Y407 AromaticContact CE1-CE1 3.62Å; F150-Y407 HydrophobicContact CE1-CE1 3.62Å; F150-Y407 AromaticContact CE1-CE2 3.7Å; F150-Y407 HydrophobicContact CE1-CE2 3.7Å; F150-Y407 HydrophobicContact CE1-CG 4.24Å; 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 3.48Å; F178-Y407 HydrophobicContact CZ-CD1 4.08Å; M182-Y407 HydrophobicContact CE-CD2 4.3Å; M182-Y407 HydrophobicContact CE-CG 3.92Å; M182-Y407 HydrophobicContact SD-CD1 3.72Å; M182-Y407 HydrophobicContact SD-CD2 4.48Å; M182-Y407 HydrophobicContact SD-CG 3.69Å; T395-Y407 HydrophobicContact CG2-CD1 3.72Å; T395-Y407 HydrophobicContact CG2-CD2 4.24Å; T395-Y407 HydrophobicContact CG2-CE1 3.22Å; T395-Y407 HydrophobicContact CG2-CE2 3.8Å; T395-Y407 HydrophobicContact CG2-CG 4.21Å; T395-Y407 PolarHBondContact N-OH 3.39Å; G396-Y407 PolarHBondContact N-OH 3.31Å; G396-Y407 WeakPolarHBondContact O-CE2 3.5Å; G396-Y407 PolarHBondContact O-OH 3.28Å; R403-Y407 HydrophobicContact CB-CE2 4.46Å; R403-Y407 WeakPolarHBondContact O-CD2 3.35Å; R403-Y407 PolarHBondContact O-N 3.03Å; L404-Y407 HydrophobicContact CD2-CD2 4.5Å; L404-Y407 PolarHBondContact O-N 2.8Å; Y407-Q409 VanDerWaalsContact C-N 3.31Å; Y407-Q409 PolarHBondContact O-N 3.3Å; Y407-L410 HydrophobicContact CD1-CD1 4.42Å; Y407-L410 WeakPolarHBondContact O-CB 3.22Å; Y407-L410 PolarHBondContact O-N 2.88Å; Y407-L411 PolarHBondContact O-N 2.86Å |
| 408 | N | 98.9 | Very high | 98.8 | Very high | 63 Ų | 63 | 45.6 Ų | 45.6 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.6 | -33.5 | 174.7 | -70.7 | -27.4 | 0 | 0 | 0 | 111.7 | L404 K406 L411 R412 | L404-N408 WeakPolarHBondContact O-CB 3.17Å; L404-N408 PolarHBondContact O-N 2.68Å; L404-N408 PolarHBondContact O-ND2 2.87Å; L404-N408 VanDerWaalsContact O-ND2 3.12Å; K406-N408 VanDerWaalsContact C-N 3.34Å; K406-N408 PolarHBondContact O-N 3.04Å; N408-L411 PolarHBondContact O-N 3.31Å; N408-R412 WeakPolarHBondContact O-CG 3.41Å; N408-R412 PolarHBondContact O-N 3.3Å; N408-R412 VanDerWaalsContact O-N 3.12Å |
| 409 | Q | 98.9 | Very high | 98.7 | Very high | 38 Ų | 38 | 51 Ų | 51 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 171.9 | -179.1 | 62 | 6.4 | 0 | 0 | 111.5 | T379 A382 D383 A405 K406 Y407 L411 R412 I413 | T379-Q409 HydrophobicContact CG2-CB 4.1Å; A382-Q409 HydrophobicContact CB-CB 3.74Å; A382-Q409 HydrophobicContact CB-CG 3.66Å; D383-Q409 WeakPolarHBondContact OD2-CG 3.48Å; D383-Q409 PolarHBondContact OD2-NE2 3.34Å; A405-Q409 WeakPolarHBondContact O-CB 3.23Å; A405-Q409 PolarHBondContact O-N 2.61Å; K406-Q409 WeakPolarHBondContact O-CB 3.23Å; K406-Q409 PolarHBondContact O-N 2.78Å; K406-Q409 VanDerWaalsContact O-N 3.12Å; Y407-Q409 VanDerWaalsContact C-N 3.31Å; Y407-Q409 PolarHBondContact O-N 3.3Å; Q409-L411 VanDerWaalsContact C-N 3.34Å; Q409-L411 PolarHBondContact O-N 2.76Å; Q409-R412 WeakPolarHBondContact O-CB 3.27Å; Q409-R412 PolarHBondContact O-N 2.97Å; Q409-R412 VanDerWaalsContact O-N 3.13Å; Q409-R412 VanDerWaalsContact OE1-NH1 3.13Å; Q409-I413 HydrophobicContact CG-CD1 4.01Å; Q409-I413 HydrophobicContact CG-CG1 4.48Å; Q409-I413 WeakPolarHBondContact O-CG1 3.32Å; Q409-I413 PolarHBondContact O-N 3Å |
| 410 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 174.6 | -70.4 | 168.1 | 0 | 0 | 0 | 112.7 | L145 P146 F178 A382 V385 V386 I393 K406 Y407 R412 I413 E414 | L145-L410 HydrophobicContact CD2-CD2 4.34Å; P146-L410 HydrophobicContact CG-CD1 4Å; P146-L410 HydrophobicContact CG-CD2 4.06Å; F178-L410 HydrophobicContact CD1-CB 3.81Å; F178-L410 HydrophobicContact CD2-CB 4.44Å; F178-L410 HydrophobicContact CE1-CB 3.25Å; F178-L410 HydrophobicContact CE1-CD1 4.27Å; F178-L410 HydrophobicContact CE1-CG 4.38Å; F178-L410 HydrophobicContact CE2-CB 3.95Å; F178-L410 HydrophobicContact CE2-CD1 3.61Å; F178-L410 HydrophobicContact CE2-CG 4.35Å; F178-L410 HydrophobicContact CG-CB 4.39Å; F178-L410 HydrophobicContact CZ-CB 3.34Å; F178-L410 HydrophobicContact CZ-CD1 3.44Å; F178-L410 VanDerWaalsContact CZ-CD1 3.44Å; F178-L410 HydrophobicContact CZ-CG 4.01Å; A382-L410 HydrophobicContact CB-CD2 4.14Å; A382-L410 HydrophobicContact CB-CG 3.88Å; A382-L410 WeakPolarHBondContact O-CD2 3.26Å; V385-L410 HydrophobicContact CG1-CD2 3.95Å; V386-L410 HydrophobicContact CG2-CD2 3.56Å; I393-L410 HydrophobicContact CD1-CD1 4.35Å; I393-L410 HydrophobicContact CG2-CD1 4.02Å; K406-L410 WeakPolarHBondContact O-CG 3.3Å; K406-L410 PolarHBondContact O-N 3.02Å; Y407-L410 HydrophobicContact CD1-CD1 4.42Å; Y407-L410 WeakPolarHBondContact O-CB 3.22Å; Y407-L410 PolarHBondContact O-N 2.88Å; L410-R412 VanDerWaalsContact C-N 3.33Å; L410-R412 PolarHBondContact O-N 2.91Å; L410-I413 PolarHBondContact O-N 2.85Å; L410-E414 WeakPolarHBondContact O-CB 3.45Å; L410-E414 PolarHBondContact O-N 2.99Å |
| 411 | L | 98.9 | Very high | 98.6 | Very high | 50 Ų | 50 | 55 Ų | 55 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 171.3 | -70.6 | 170.7 | 0 | 0 | 0 | 111.9 | F178 R179 M182 Y407 N408 Q409 E414 E415 | F178-L411 HydrophobicContact CD1-CD2 3.91Å; F178-L411 HydrophobicContact CD1-CG 4.21Å; F178-L411 HydrophobicContact CE1-CD2 4.15Å; F178-L411 HydrophobicContact CE1-CG 4.03Å; R179-L411 HydrophobicContact CB-CD2 3.85Å; R179-L411 HydrophobicContact CG-CD2 4.17Å; M182-L411 HydrophobicContact CB-CD2 4.4Å; M182-L411 HydrophobicContact CG-CD2 4.1Å; M182-L411 HydrophobicContact CG-CG 4.31Å; Y407-L411 PolarHBondContact O-N 2.86Å; N408-L411 PolarHBondContact O-N 3.31Å; Q409-L411 VanDerWaalsContact C-N 3.34Å; Q409-L411 PolarHBondContact O-N 2.76Å; L411-E414 PolarHBondContact O-N 2.9Å; L411-E415 PolarHBondContact O-N 3.07Å |
| 412 | R | 98.9 | Very high | 98.5 | Very high | 133 Ų | 133 | 55 Ų | 55 | 50% | 0.502 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 176.9 | -66.5 | 178.8 | -157 | 109.6 | 3.2 | 112.1 | N408 Q409 L410 E414 E415 E416 | N408-R412 WeakPolarHBondContact O-CG 3.41Å; N408-R412 PolarHBondContact O-N 3.3Å; N408-R412 VanDerWaalsContact O-N 3.12Å; Q409-R412 WeakPolarHBondContact O-CB 3.27Å; Q409-R412 PolarHBondContact O-N 2.97Å; Q409-R412 VanDerWaalsContact O-N 3.13Å; Q409-R412 VanDerWaalsContact OE1-NH1 3.13Å; L410-R412 VanDerWaalsContact C-N 3.33Å; L410-R412 PolarHBondContact O-N 2.91Å; R412-E414 VanDerWaalsContact C-N 3.32Å; R412-E414 PolarHBondContact O-N 3.1Å; R412-E415 PolarHBondContact O-N 2.69Å; R412-E416 WeakPolarHBondContact O-CB 3.28Å; R412-E416 PolarHBondContact O-N 3.48Å |
| 413 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.4 | -66.6 | 167.1 | 0 | 0 | 0 | 110.3 | Y131 L145 V386 Q409 L410 E416 L417 | Y131-I413 HydrophobicContact CD1-CB 4.43Å; Y131-I413 HydrophobicContact CD1-CD1 4.06Å; Y131-I413 HydrophobicContact CD1-CG1 3.8Å; Y131-I413 HydrophobicContact CD1-CG2 3.83Å; Y131-I413 HydrophobicContact CE1-CB 4.48Å; Y131-I413 HydrophobicContact CE1-CG1 4.13Å; Y131-I413 HydrophobicContact CE1-CG2 3.88Å; Y131-I413 HydrophobicContact CG-CG2 4.2Å; L145-I413 HydrophobicContact CD2-CG2 4.35Å; V386-I413 HydrophobicContact CG1-CG2 4.01Å; V386-I413 HydrophobicContact CG2-CD1 4.31Å; V386-I413 HydrophobicContact CG2-CG2 4.17Å; Q409-I413 HydrophobicContact CG-CD1 4.01Å; Q409-I413 HydrophobicContact CG-CG1 4.48Å; Q409-I413 WeakPolarHBondContact O-CG1 3.32Å; Q409-I413 PolarHBondContact O-N 3Å; L410-I413 PolarHBondContact O-N 2.85Å; I413-E416 PolarHBondContact O-N 3.44Å; I413-L417 HydrophobicContact CG2-CD1 3.83Å; I413-L417 HydrophobicContact CG2-CG 4.32Å; I413-L417 WeakPolarHBondContact O-CB 3.24Å; I413-L417 VanDerWaalsContact O-CG 3.25Å; I413-L417 WeakPolarHBondContact O-CG 3.3Å; I413-L417 PolarHBondContact O-N 3.25Å |
| 414 | E | 98.9 | Very high | 98.5 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 174.3 | -179.3 | 168 | -113.6 | 0 | 0 | 112.2 | L145 N177 F178 R179 L410 L411 R412 L417 G418 A421 | L145-E414 HydrophobicContact CD1-CB 3.44Å; L145-E414 VanDerWaalsContact CD1-CB 3.44Å; L145-E414 HydrophobicContact CD1-CG 3.47Å; L145-E414 VanDerWaalsContact CD1-CG 3.47Å; L145-E414 WeakPolarHBondContact CD1-OE1 3.39Å; L145-E414 HydrophobicContact CD2-CB 4.22Å; L145-E414 HydrophobicContact CG-CB 4.47Å; N177-E414 WeakPolarHBondContact CB-OE1 3.46Å; F178-E414 WeakPolarHBondContact CA-OE1 3.49Å; F178-E414 VanDerWaalsContact CB-OE1 3.27Å; F178-E414 WeakPolarHBondContact CB-OE1 3.42Å; F178-E414 PolarHBondContact N-OE1 3.44Å; R179-E414 WeakPolarHBondContact CB-OE2 3.5Å; R179-E414 PolarHBondContact N-OE2 2.98Å; L410-E414 WeakPolarHBondContact O-CB 3.45Å; L410-E414 PolarHBondContact O-N 2.99Å; L411-E414 PolarHBondContact O-N 2.9Å; R412-E414 VanDerWaalsContact C-N 3.32Å; R412-E414 PolarHBondContact O-N 3.1Å; E414-L417 PolarHBondContact O-N 3.02Å; E414-G418 PolarHBondContact O-N 2.74Å; E414-G418 VanDerWaalsContact O-N 3.11Å; E414-A421 HydrophobicContact CG-CB 4.24Å |
| 415 | E | 98.8 | Very high | 98.5 | Very high | 164 Ų | 164 | 54.4 Ų | 54.4 | 77% | 0.766 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | 176.9 | -174.6 | 177.7 | 92.6 | 0 | 0 | 111.9 | L411 R412 L417 G418 | L411-E415 PolarHBondContact O-N 3.07Å; R412-E415 PolarHBondContact O-N 2.69Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 3.5Å; E415-G418 PolarHBondContact O-N 3.34Å |
| 416 | E | 98.8 | Very high | 98.5 | Very high | 116 Ų | 116 | 61 Ų | 61 | 54% | 0.542 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 178.6 | -177.3 | 175 | -172.2 | 0 | 0 | 112.5 | P129 R412 I413 G418 | P129-E416 WeakPolarHBondContact CG-OE1 3.17Å; R412-E416 WeakPolarHBondContact O-CB 3.28Å; R412-E416 PolarHBondContact O-N 3.48Å; I413-E416 PolarHBondContact O-N 3.44Å; E416-G418 VanDerWaalsContact C-N 3.31Å |
| 417 | L | 98.5 | Very high | 98.5 | Very high | 22 Ų | 22 | 65.6 Ų | 65.6 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.9 | -27.2 | 176.4 | -71.4 | 170.6 | 0 | 0 | 0 | 112.5 | Y131 V143 I413 E414 E415 S419 K420 A421 | Y131-L417 HydrophobicContact CE2-CD2 3.95Å; V143-L417 HydrophobicContact CG2-CD1 3.81Å; V143-L417 HydrophobicContact CG2-CD2 3.7Å; V143-L417 HydrophobicContact CG2-CG 4.44Å; I413-L417 HydrophobicContact CG2-CD1 3.83Å; I413-L417 HydrophobicContact CG2-CG 4.32Å; I413-L417 WeakPolarHBondContact O-CB 3.24Å; I413-L417 VanDerWaalsContact O-CG 3.25Å; I413-L417 WeakPolarHBondContact O-CG 3.3Å; I413-L417 PolarHBondContact O-N 3.25Å; E414-L417 PolarHBondContact O-N 3.02Å; E415-L417 VanDerWaalsContact C-N 3.35Å; E415-L417 PolarHBondContact O-N 3.5Å; L417-S419 PolarHBondContact O-N 3.39Å; L417-K420 WeakPolarHBondContact O-CB 2.91Å; L417-K420 PolarHBondContact O-N 3.19Å; L417-A421 HydrophobicContact CB-CB 3.89Å |
| 418 | G | 98.2 | Very high | 98.5 | Very high | 43 Ų | 43 | 66.2 Ų | 66.2 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | 52.7 | -126.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | E414 E415 E416 K420 A421 | E414-G418 PolarHBondContact O-N 2.74Å; E414-G418 VanDerWaalsContact O-N 3.11Å; E415-G418 PolarHBondContact O-N 3.34Å; E416-G418 VanDerWaalsContact C-N 3.31Å; G418-K420 PolarHBondContact O-N 2.69Å; G418-K420 VanDerWaalsContact O-N 3.08Å; G418-A421 VanDerWaalsContact O-CB 3.26Å; G418-A421 WeakPolarHBondContact O-CB 3.46Å; G418-A421 PolarHBondContact O-N 3.07Å |
| 419 | S | 97.2 | Very high | 98.4 | Very high | 131 Ų | 131 | 67.4 Ų | 67.4 | 92% | 0.916 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -66.2 | -9.8 | 179.6 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | L417 | L417-S419 PolarHBondContact O-N 3.39Š|
| 420 | K | 97.1 | Very high | 98.3 | Very high | 164 Ų | 164 | 69.7 Ų | 69.7 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -88.6 | -9.2 | 175 | -58.6 | 177.6 | -179 | 173.7 | 0 | 112.5 | L417 G418 K422 | L417-K420 WeakPolarHBondContact O-CB 2.91Å; L417-K420 PolarHBondContact O-N 3.19Å; G418-K420 PolarHBondContact O-N 2.69Å; G418-K420 VanDerWaalsContact O-N 3.08Å; K420-K422 PolarHBondContact O-N 2.92Å |
| 421 | A | 97.3 | Very high | 98.2 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | trans | -63.4 | 124.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L145 E414 L417 G418 | L145-A421 HydrophobicContact CD1-CB 4Å; E414-A421 HydrophobicContact CG-CB 4.24Å; L417-A421 HydrophobicContact CB-CB 3.89Å; G418-A421 VanDerWaalsContact O-CB 3.26Å; G418-A421 WeakPolarHBondContact O-CB 3.46Å; G418-A421 PolarHBondContact O-N 3.07Å | ||
| 422 | K | 98.2 | Very high | 97.9 | Very high | 90 Ų | 90 | 72.5 Ų | 72.5 | 39% | 0.391 | 36% | 0.364 | S | S | . | . | trans | -116.3 | 122.7 | 172.6 | -63.5 | -177.4 | -170.1 | 179.3 | 0 | 108.1 | E142 I144 L145 K420 | E142-K422 IonicContact OE1-NZ 2.76Å; E142-K422 PolarHBondContact OE1-NZ 3.45Å; E142-K422 IonicContact OE2-NZ 2.7Å; E142-K422 PolarHBondContact OE2-NZ 3.28Å; I144-K422 HydrophobicContact CD1-CB 3.68Å; I144-K422 HydrophobicContact CD1-CD 3.94Å; I144-K422 HydrophobicContact CD1-CG 4.44Å; L145-K422 PolarHBondContact N-O 3.04Å; K420-K422 PolarHBondContact O-N 2.92Å | ||
| 423 | F | 98.7 | Very high | 97.1 | Very high | 36 Ų | 36 | 69 Ų | 69 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 133.1 | 176.2 | 176.9 | -114 | 0 | 0 | 0 | 110.2 | L145 P146 V147 A175 F178 A181 G425 | L145-F423 HydrophobicContact CB-CD2 4.28Å; P146-F423 WeakPolarHBondContact O-CE2 3.5Å; V147-F423 HydrophobicContact CB-CZ 4.45Å; V147-F423 HydrophobicContact CG2-CE1 4.34Å; V147-F423 HydrophobicContact CG2-CE2 4.17Å; V147-F423 HydrophobicContact CG2-CZ 3.75Å; A175-F423 HydrophobicContact CB-CE1 3.92Å; A175-F423 HydrophobicContact CB-CZ 4.25Å; A175-F423 WeakPolarHBondContact O-CD1 3.18Å; A175-F423 VanDerWaalsContact O-CE1 3.27Å; A175-F423 WeakPolarHBondContact O-CE1 3.48Å; F178-F423 HydrophobicContact CB-CD2 4.15Å; F178-F423 HydrophobicContact CB-CE2 4.39Å; F178-F423 HydrophobicContact CD2-CE2 4.35Å; A181-F423 HydrophobicContact CB-CE2 4.1Å; A181-F423 HydrophobicContact CB-CZ 3.77Å; F423-G425 VanDerWaalsContact C-N 3.34Å; F423-G425 VanDerWaalsContact CE1-CA 3.48Å; F423-G425 PolarHBondContact O-N 2.49Å |
| 424 | A | 98.7 | Very high | 95.2 | Very high | 9 Ų | 9 | 82.1 Ų | 82.1 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | trans | -64 | -36.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | I144 L145 V147 G391 R426 N427 P431 | I144-A424 HydrophobicContact CG2-CB 3.89Å; L145-A424 PolarHBondContact O-N 2.95Å; V147-A424 HydrophobicContact CG2-CB 4.42Å; G391-A424 WeakPolarHBondContact O-CB 3.33Å; A424-R426 PolarHBondContact O-N 3.07Å; A424-N427 WeakPolarHBondContact O-CA 3.48Å; A424-N427 WeakPolarHBondContact O-CB 3.32Å; A424-N427 PolarHBondContact O-N 2.62Å; A424-P431 HydrophobicContact CB-CB 4Å | ||
| 425 | G | 98.6 | Very high | 95 | Very high | 8 Ų | 8 | 85 Ų | 85 | 8% | 0.082 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | 50.2 | -129.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V147 V173 F423 N427 F428 | V147-G425 VanDerWaalsContact CG2-O 3.22Å; V147-G425 WeakPolarHBondContact CG2-O 3.18Å; V173-G425 CarbonylContact O-C 3.53Å; V173-G425 VanDerWaalsContact O-CA 3.26Å; V173-G425 WeakPolarHBondContact O-CA 3.21Å; F423-G425 VanDerWaalsContact C-N 3.34Å; F423-G425 VanDerWaalsContact CE1-CA 3.48Å; F423-G425 PolarHBondContact O-N 2.49Å; G425-N427 PolarHBondContact O-N 3.02Å; G425-N427 VanDerWaalsContact O-N 3.16Å; G425-F428 WeakPolarHBondContact O-CB 3.41Å; G425-F428 PolarHBondContact O-N 3.2Å |
| 426 | R | 98.3 | Very high | 94.8 | Very high | 159 Ų | 159 | 80.8 Ų | 80.8 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -65.9 | -15.4 | 179.5 | -67.4 | -175.1 | 176.3 | 76.8 | 1.4 | 114.1 | V173 D238 A424 F428 | V173-R426 HydrophobicContact CB-CG 4.29Å; V173-R426 HydrophobicContact CG2-CG 4.3Å; V173-R426 PolarHBondContact O-N 3.47Å; V173-R426 VanDerWaalsContact O-N 3.16Å; D238-R426 PolarHBondContact O-NH2 3.19Å; D238-R426 VanDerWaalsContact O-NH2 3.12Å; A424-R426 PolarHBondContact O-N 3.07Å; R426-F428 VanDerWaalsContact C-N 3.3Å; R426-F428 PolarHBondContact O-N 2.88Å |
| 427 | N | 98.2 | Very high | 94.6 | Very high | 96 Ų | 96 | 78.9 Ų | 78.9 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -91.8 | 19.3 | 177.1 | -60.9 | -28.4 | 0 | 0 | 0 | 112.7 | A424 G425 R429 N430 P431 | A424-N427 WeakPolarHBondContact O-CA 3.48Å; A424-N427 WeakPolarHBondContact O-CB 3.32Å; A424-N427 PolarHBondContact O-N 2.62Å; G425-N427 PolarHBondContact O-N 3.02Å; G425-N427 VanDerWaalsContact O-N 3.16Å; N427-R429 PolarHBondContact O-N 3.49Å; N427-N430 CarbonylContact O-C 3.53Å; N427-N430 PolarHBondContact O-N 3.45Å; N427-P431 WeakPolarHBondContact O-CA 3.3Å; N427-P431 WeakPolarHBondContact O-CD 3.06Å |
| 428 | F | 98.7 | Very high | 94.4 | Very high | 12 Ų | 12 | 82.2 Ų | 82.2 | 5% | 0.053 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -27 | -176.7 | 76.5 | -84 | 0 | 0 | 0 | 115 | V147 L171 V173 V290 G391 Q392 G425 R426 | V147-F428 HydrophobicContact CB-CB 4.03Å; V147-F428 HydrophobicContact CG2-CB 3.71Å; L171-F428 HydrophobicContact CD2-CE2 4.37Å; V173-F428 HydrophobicContact CG1-CD1 3.88Å; V173-F428 HydrophobicContact CG1-CE1 4.17Å; V290-F428 HydrophobicContact CG2-CE1 4.49Å; V290-F428 HydrophobicContact CG2-CZ 4.08Å; G391-F428 WeakPolarHBondContact O-CB 3.39Å; Q392-F428 HydrophobicContact CB-CB 4.36Å; Q392-F428 HydrophobicContact CB-CD2 4.06Å; Q392-F428 HydrophobicContact CG-CD2 4.27Å; Q392-F428 PolarHBondContact NE2-O 3.29Å; G425-F428 WeakPolarHBondContact O-CB 3.41Å; G425-F428 PolarHBondContact O-N 3.2Å; R426-F428 VanDerWaalsContact C-N 3.3Å; R426-F428 PolarHBondContact O-N 2.88Å |
| 429 | R | 98.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 84.7 Ų | 84.7 | 34% | 0.336 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -28 | 177.8 | -58.3 | -179.6 | 64.4 | -179.4 | 2.8 | 113 | I313 N338 G366 N427 | I313-R429 PolarHBondContact O-NH2 3.39Å; N338-R429 PolarHBondContact ND2-NH2 2.64Å; G366-R429 WeakPolarHBondContact CA-O 3.33Å; N427-R429 PolarHBondContact O-N 3.49Å |
| 430 | N | 96.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 81.6 Ų | 81.6 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | trans | -155.5 | 59.2 | -168.1 | 60.7 | -30.2 | 0 | 0 | 0 | 111.2 | N427 L432 A433 | N427-N430 CarbonylContact O-C 3.53Å; N427-N430 PolarHBondContact O-N 3.45Å; N430-L432 PolarHBondContact O-N 2.94Å; N430-A433 HydrophobicContact CB-CB 4.06Å; N430-A433 WeakPolarHBondContact ND2-CB 3.26Å; N430-A433 WeakPolarHBondContact O-CB 3.22Å; N430-A433 PolarHBondContact O-N 3.06Å | ||
| 431 | P | 96.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 75.7 Ų | 75.7 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.5 | -168.4 | 28.8 | -39.4 | 0 | 0 | 0 | 114.9 | I144 C389 A424 N427 | I144-P431 HydrophobicContact CB-CB 4.5Å; I144-P431 HydrophobicContact CG1-CB 4.28Å; I144-P431 HydrophobicContact CG2-CB 3.85Å; I144-P431 HydrophobicContact CG2-CG 4.45Å; C389-P431 WeakPolarHBondContact O-CG 3.42Å; A424-P431 HydrophobicContact CB-CB 4Å; N427-P431 WeakPolarHBondContact O-CA 3.3Å; N427-P431 WeakPolarHBondContact O-CD 3.06Å |
| 432 | L | 91.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 79.2 Ų | 79.2 | 44% | 0.44 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -1.8 | 178.2 | -60.4 | -179.2 | 0 | 0 | 0 | 113.1 | I144 C389 N430 K434 | I144-L432 HydrophobicContact CD1-CD2 4.18Å; I144-L432 HydrophobicContact CG1-CD2 3.8Å; C389-L432 HydrophobicContact CB-CD1 3.75Å; C389-L432 HydrophobicContact CB-CD2 4.17Å; C389-L432 HydrophobicContact CB-CG 4.08Å; N430-L432 PolarHBondContact O-N 2.94Å; L432-K434 PolarHBondContact O-N 3.19Å |
| 433 | A | 83.9 | Confident | 93 | Very high | 58 Ų | 58 | 78.3 Ų | 78.3 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | trans | -64.8 | 135.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | N430 | N430-A433 HydrophobicContact CB-CB 4.06Å; N430-A433 WeakPolarHBondContact ND2-CB 3.26Å; N430-A433 WeakPolarHBondContact O-CB 3.22Å; N430-A433 PolarHBondContact O-N 3.06Å | ||
| 434 | K | 58.1 | Low | 92.5 | Very high | 277 Ų | 277 | 82.1 Ų | 82.1 | 100% | 1.204 | 40% | 0.401 | S | S | * | . | trans | -79.6 | 0 | 179.7 | -69.8 | -171.8 | 179 | -179.7 | 0 | 112.4 | L432 | L432-K434 PolarHBondContact O-N 3.19Š|
Retrieved 434 of 434 residues in 149.6 ms
(Link to these results)