| 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 | 85.6 | Confident | 96.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | 0 | 158.5 | 0 | -163.7 | -175.9 | -90.6 | 0 | 0 | 108.1 | R31 G32 N75 M121 I144 N390 S394 E399 | M1-R31 PolarHBondContact N-O 3.47Å; M1-R31 CarbonylContact O-C 3.59Å; M1-R31 WeakPolarHBondContact O-CA 3.1Å; M1-R31 WeakPolarHBondContact O-CB 3.34Å; M1-R31 PolarHBondContact SD-NH2 2.77Å; M1-G32 PolarHBondContact O-N 3.48Å; M1-N75 WeakPolarHBondContact CG-OD1 3.18Å; M1-N75 PolarHBondContact SD-OD1 3.01Å; M1-M121 HydrophobicContact CE-CE 3.93Å; M1-M121 HydrophobicContact CE-SD 4.25Å; M1-I144 HydrophobicContact CE-CD1 3.56Å; M1-I144 HydrophobicContact SD-CD1 3.38Å; M1-I144 WeakPolarHBondContact SD-CD1 3.49Å; M1-N390 VanDerWaalsContact CE-ND2 3.31Å; M1-N390 WeakPolarHBondContact CE-ND2 3.42Å; M1-N390 PolarHBondContact SD-ND2 2.88Å; M1-S394 WeakPolarHBondContact CB-OG 3.49Å; M1-E399 HydrophobicContact CB-CB 4.15Å; M1-E399 HydrophobicContact CB-CG 4.15Å; M1-E399 HydrophobicContact CE-CG 3.66Å; M1-E399 HydrophobicContact CG-CG 4.08Å; M1-E399 WeakPolarHBondContact CG-OE2 3.44Å | |||
| 2 | C | 95.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 9% | 0.088 | 13% | 0.125 | C | C | . | . | trans | -69.7 | -179.1 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | R31 H48 E49 L51 N75 | C2-R31 PolarHBondContact O-NE 3.2Å; C2-H48 VanDerWaalsContact SG-CE1 3.56Å; C2-E49 CarbonylContact C-O 3.48Å; C2-E49 WeakPolarHBondContact CA-O 3.36Å; C2-E49 WeakPolarHBondContact CB-O 3.35Å; C2-L51 PolarHBondContact SG-N 2.87Å; C2-N75 HydrophobicContact CB-CB 4.45Å; C2-N75 PolarHBondContact O-ND2 2.92Å; C2-N75 PolarHBondContact O-OD1 3.15Å; C2-N75 VanDerWaalsContact O-OD1 3.06Å | ||
| 3 | S | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147.5 | 166.9 | 89.4 | 0 | 0 | 0 | 0 | 110.3 | M28 H48 E49 | S3-M28 WeakPolarHBondContact OG-CB 3.48Å; S3-H48 WeakPolarHBondContact O-CA 3.24Å; S3-E49 PolarHBondContact N-O 2.74Å; S3-E49 PolarHBondContact O-N 3.25Å; S3-E49 WeakPolarHBondContact OG-CB 3.39Å; S3-E49 WeakPolarHBondContact OG-CG 3.49Å |
| 4 | I | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148.1 | 173.8 | 62.7 | 170.5 | 0 | 0 | 0 | 110.6 | M28 A73 N75 A125 L146 A159 S160 | I4-M28 WeakPolarHBondContact O-CE 3.2Å; I4-A73 HydrophobicContact CB-CB 4.3Å; I4-A73 HydrophobicContact CG2-CB 3.73Å; I4-N75 HydrophobicContact CG2-CB 4.21Å; I4-A125 HydrophobicContact CD1-CB 4.16Å; I4-L146 HydrophobicContact CD1-CD1 3.97Å; I4-L146 HydrophobicContact CG1-CD1 4.31Å; I4-A159 CarbonylContact O-C 3.51Å; I4-A159 VanDerWaalsContact O-CA 3.28Å; I4-A159 WeakPolarHBondContact O-CA 3.39Å; I4-S160 PolarHBondContact N-OG 3.12Å; I4-S160 PolarHBondContact O-N 2.83Å |
| 5 | F | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 124.4 | 169.4 | -179.9 | -87.4 | 0 | 0 | 0 | 108.6 | V7 A21 L24 M28 A47 Y157 V158 A159 A164 L165 | F5-V7 HydrophobicContact CD1-CG2 4.29Å; F5-V7 HydrophobicContact CE1-CG2 3.49Å; F5-V7 VanDerWaalsContact CE1-CG2 3.49Å; F5-V7 HydrophobicContact CZ-CG2 4.13Å; F5-A21 HydrophobicContact CD1-CB 4.09Å; F5-A21 HydrophobicContact CE1-CB 3.68Å; F5-L24 HydrophobicContact CD2-CB 4.34Å; F5-L24 HydrophobicContact CE1-CB 4.45Å; F5-L24 HydrophobicContact CE2-CB 3.68Å; F5-L24 HydrophobicContact CE2-CD1 4.05Å; F5-L24 HydrophobicContact CZ-CB 3.74Å; F5-L24 HydrophobicContact CZ-CD1 3.59Å; F5-L24 HydrophobicContact CZ-CG 4.32Å; F5-M28 HydrophobicContact CB-CE 3.84Å; F5-M28 HydrophobicContact CD2-CE 4.23Å; F5-A47 HydrophobicContact CB-CB 4.26Å; F5-A47 PolarHBondContact N-O 3.08Å; F5-A47 PolarHBondContact O-N 3.38Å; F5-Y157 HydrophobicContact CE1-CD1 4.31Å; F5-Y157 HydrophobicContact CE2-CD1 4.29Å; F5-Y157 AromaticContact CZ-CD1 3.63Å; F5-Y157 HydrophobicContact CZ-CD1 3.63Å; F5-Y157 HydrophobicContact CZ-CE1 4.05Å; F5-V158 CarbonylContact C-O 2.89Å; F5-V158 WeakPolarHBondContact CA-O 3.46Å; F5-A159 HydrophobicContact CD2-CB 3.96Å; F5-A164 HydrophobicContact CD2-CB 3.96Å; F5-A164 HydrophobicContact CE2-CB 4.21Å; F5-L165 HydrophobicContact CE2-CD2 4.08Å |
| 6 | G | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I45 Y157 V158 | G6-I45 CarbonylContact C-O 3.58Å; G6-I45 VanDerWaalsContact CA-O 3.26Å; G6-I45 WeakPolarHBondContact CA-O 3.45Å; G6-Y157 VanDerWaalsContact O-CA 3.3Å; G6-Y157 WeakPolarHBondContact O-CA 3.16Å; G6-V158 PolarHBondContact N-O 2.99Å; G6-V158 PolarHBondContact O-N 2.6Å |
| 7 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.7 | 168.6 | -162.4 | 0 | 0 | 0 | 0 | 108.4 | F5 I10 L17 A44 I45 Q155 L156 Y157 | F5-V7 HydrophobicContact CD1-CG2 4.29Å; F5-V7 HydrophobicContact CE1-CG2 3.49Å; F5-V7 VanDerWaalsContact CE1-CG2 3.49Å; F5-V7 HydrophobicContact CZ-CG2 4.13Å; V7-I10 HydrophobicContact CG1-CG1 4.28Å; V7-L17 HydrophobicContact CG1-CD2 3.93Å; V7-A44 CarbonylContact O-C 3.49Å; V7-A44 VanDerWaalsContact O-CA 3.29Å; V7-A44 WeakPolarHBondContact O-CA 3.49Å; V7-I45 HydrophobicContact CB-CB 4.22Å; V7-I45 HydrophobicContact CG2-CB 4.34Å; V7-I45 PolarHBondContact N-O 3.18Å; V7-I45 PolarHBondContact O-N 3.46Å; V7-Q155 HydrophobicContact CG1-CB 4.3Å; V7-L156 CarbonylContact C-O 3.29Å; V7-L156 WeakPolarHBondContact CA-O 3.44Å; V7-Y157 HydrophobicContact CB-CD1 4.45Å; V7-Y157 HydrophobicContact CB-CE1 4.36Å; V7-Y157 HydrophobicContact CG1-CD1 4.14Å; V7-Y157 HydrophobicContact CG1-CD2 4.44Å; V7-Y157 HydrophobicContact CG1-CE1 3.81Å; V7-Y157 HydrophobicContact CG1-CE2 4.1Å; V7-Y157 HydrophobicContact CG1-CG 4.45Å; V7-Y157 HydrophobicContact CG2-CD1 3.71Å; V7-Y157 HydrophobicContact CG2-CE1 3.63Å |
| 8 | F | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 166.6 | -178.5 | -56.8 | -79.2 | 0 | 0 | 0 | 110.5 | I10 A44 L46 A125 Y134 I136 L156 V158 | F8-I10 PolarHBondContact O-N 3.34Å; F8-A44 HydrophobicContact CD1-CB 3.9Å; F8-A44 HydrophobicContact CE1-CB 4.26Å; F8-L46 HydrophobicContact CE1-CD2 4.09Å; F8-L46 HydrophobicContact CE2-CD2 4.44Å; F8-L46 HydrophobicContact CZ-CD2 3.65Å; F8-A125 HydrophobicContact CE2-CB 4.42Å; F8-A125 HydrophobicContact CZ-CB 4.06Å; F8-Y134 HydrophobicContact CB-CD1 3.72Å; F8-Y134 HydrophobicContact CB-CE1 3.57Å; F8-Y134 HydrophobicContact CB-CE2 4.48Å; F8-Y134 HydrophobicContact CB-CG 4.23Å; F8-Y134 AromaticContact CD1-CD1 3.6Å; F8-Y134 HydrophobicContact CD1-CD1 3.6Å; F8-Y134 HydrophobicContact CD1-CD2 4.3Å; F8-Y134 HydrophobicContact CD1-CE1 4.34Å; F8-Y134 AromaticContact CD1-CG 3.56Å; F8-Y134 HydrophobicContact CD1-CG 3.56Å; F8-Y134 HydrophobicContact CD2-CD2 4.25Å; F8-Y134 HydrophobicContact CD2-CG 4.31Å; F8-Y134 HydrophobicContact CE1-CD1 4.31Å; F8-Y134 HydrophobicContact CE1-CD2 4.49Å; F8-Y134 AromaticContact CE1-CG 3.84Å; F8-Y134 HydrophobicContact CE1-CG 3.84Å; F8-Y134 HydrophobicContact CE2-CD2 4.44Å; F8-Y134 AromaticContact CG-CD1 3.76Å; F8-Y134 HydrophobicContact CG-CD1 3.76Å; F8-Y134 HydrophobicContact CG-CD2 4.14Å; F8-Y134 HydrophobicContact CG-CE1 4.07Å; F8-Y134 HydrophobicContact CG-CE2 4.43Å; F8-Y134 AromaticContact CG-CG 3.79Å; F8-Y134 HydrophobicContact CG-CG 3.79Å; F8-Y134 HydrophobicContact CZ-CG 4.3Å; F8-I136 HydrophobicContact CD2-CD1 4.27Å; F8-I136 HydrophobicContact CE2-CD1 3.88Å; F8-I136 HydrophobicContact CE2-CG1 4.08Å; F8-I136 HydrophobicContact CZ-CG1 4.48Å; F8-L156 HydrophobicContact CB-CB 4.34Å; F8-L156 HydrophobicContact CD2-CD2 4.27Å; F8-L156 HydrophobicContact CD2-CG 4.48Å; F8-L156 PolarHBondContact N-O 3.3Å; F8-L156 PolarHBondContact O-N 3.12Å; F8-V158 HydrophobicContact CE2-CG2 3.83Å |
| 9 | D | 97.3 | Very high | 97 | Very high | 74 Ų | 74 | 43 Ų | 43 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 54.4 | 45 | -178.2 | -54.1 | -47.6 | 0 | 0 | 0 | 111.2 | K11 N43 Y134 | D9-K11 WeakPolarHBondContact O-CG 3.34Å; D9-K11 PolarHBondContact O-N 3.27Å; D9-N43 PolarHBondContact N-O 3.29Å; D9-Y134 PolarHBondContact OD2-OH 3.4Å |
| 10 | I | 98.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | trans | -62.3 | 128 | -176.7 | -63.5 | 175.6 | 0 | 0 | 0 | 109.6 | V7 F8 T12 A14 L17 D42 N43 I45 | V7-I10 HydrophobicContact CG1-CG1 4.28Å; F8-I10 PolarHBondContact O-N 3.34Å; I10-T12 WeakPolarHBondContact CG2-O 3.45Å; I10-A14 HydrophobicContact CG2-CB 4.38Å; I10-L17 HydrophobicContact CB-CD2 4.3Å; I10-L17 HydrophobicContact CD1-CD2 3.91Å; I10-L17 HydrophobicContact CG1-CD2 3.74Å; I10-L17 HydrophobicContact CG2-CD2 3.75Å; I10-D42 WeakPolarHBondContact CB-O 3.43Å; I10-D42 WeakPolarHBondContact CG2-O 3.44Å; I10-N43 WeakPolarHBondContact CG1-O 3.46Å; I10-I45 HydrophobicContact CD1-CD1 3.83Å; I10-I45 HydrophobicContact CD1-CG1 3.84Å | ||
| 11 | K | 96.4 | Very high | 97.1 | Very high | 136 Ų | 136 | 42.6 Ų | 42.6 | 59% | 0.591 | 21% | 0.21 | S | C | * | . | trans | -124.3 | 2.1 | -179.5 | -66.1 | 168.8 | -156.1 | 163.6 | 0 | 112.4 | D9 H153 G154 | D9-K11 WeakPolarHBondContact O-CG 3.34Å; D9-K11 PolarHBondContact O-N 3.27Å; K11-H153 WeakPolarHBondContact CD-O 3.09Å; K11-H153 PolarHBondContact NZ-O 2.72Å; K11-G154 PolarHBondContact NZ-O 3.36Å | ||
| 12 | T | 96.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -120.4 | 179.5 | -176.9 | 58 | 0 | 0 | 0 | 0 | 110 | I10 A14 H153 Q155 | I10-T12 WeakPolarHBondContact CG2-O 3.45Å; T12-A14 PolarHBondContact O-N 2.54Å; T12-H153 HydrophobicContact CG2-CB 4.25Å; T12-H153 WeakPolarHBondContact CG2-CD2 3.42Å; T12-Q155 PolarHBondContact OG1-OE1 2.84Å |
| 13 | D | 97.3 | Very high | 97.8 | Very high | 96 Ų | 96 | 49.4 Ų | 49.4 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | trans | -62.1 | 108.2 | 177.9 | -175.8 | -18.9 | 0 | 0 | 0 | 110.6 | V15 E16 L17 | D13-V15 PolarHBondContact O-N 3.49Å; D13-V15 WeakPolarHBondContact OD1-CA 3.33Å; D13-V15 VanDerWaalsContact OD1-CB 3.29Å; D13-V15 WeakPolarHBondContact OD1-CB 3.43Å; D13-V15 PolarHBondContact OD1-N 3.48Å; D13-E16 HydrophobicContact CB-CB 4.37Å; D13-E16 HydrophobicContact CB-CG 4.46Å; D13-E16 PolarHBondContact O-N 3.02Å; D13-L17 WeakPolarHBondContact O-CB 3.36Å; D13-L17 PolarHBondContact O-N 3.35Å | ||
| 14 | A | 96.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -27.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | I10 T12 R18 S41 | I10-A14 HydrophobicContact CG2-CB 4.38Å; T12-A14 PolarHBondContact O-N 2.54Å; A14-R18 VanDerWaalsContact O-CB 3.24Å; A14-R18 WeakPolarHBondContact O-CB 3.18Å; A14-R18 PolarHBondContact O-N 3.12Å; A14-S41 WeakPolarHBondContact CB-O 3.42Å |
| 15 | V | 97.1 | Very high | 97.8 | Very high | 93 Ų | 93 | 49.6 Ų | 49.6 | 56% | 0.564 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -71 | -44.6 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | D13 K19 | D13-V15 PolarHBondContact O-N 3.49Å; D13-V15 WeakPolarHBondContact OD1-CA 3.33Å; D13-V15 VanDerWaalsContact OD1-CB 3.29Å; D13-V15 WeakPolarHBondContact OD1-CB 3.43Å; D13-V15 PolarHBondContact OD1-N 3.48Å; V15-K19 PolarHBondContact O-N 3.45Å |
| 16 | E | 97.5 | Very high | 97.8 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 47% | 0.472 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70 | -40.7 | 174.8 | -68.2 | -52.9 | 126.1 | 0 | 0 | 111.2 | D13 R18 K19 K20 | D13-E16 HydrophobicContact CB-CB 4.37Å; D13-E16 HydrophobicContact CB-CG 4.46Å; D13-E16 PolarHBondContact O-N 3.02Å; E16-R18 VanDerWaalsContact C-N 3.29Å; E16-R18 PolarHBondContact O-N 3.19Å; E16-K19 WeakPolarHBondContact O-CB 3.28Å; E16-K19 PolarHBondContact O-N 3.04Å; E16-K19 VanDerWaalsContact O-N 3.1Å; E16-K19 IonicContact OE1-NZ 2.71Å; E16-K19 PolarHBondContact OE1-NZ 3.01Å; E16-K19 IonicContact OE2-NZ 2.89Å; E16-K19 PolarHBondContact OE2-NZ 2.86Å; E16-K20 PolarHBondContact O-N 3.08Å |
| 17 | L | 97.7 | Very high | 97.7 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 177.1 | -169.6 | 59.3 | 0 | 0 | 0 | 112 | V7 I10 D13 K19 K20 A21 I45 Y157 | V7-L17 HydrophobicContact CG1-CD2 3.93Å; I10-L17 HydrophobicContact CB-CD2 4.3Å; I10-L17 HydrophobicContact CD1-CD2 3.91Å; I10-L17 HydrophobicContact CG1-CD2 3.74Å; I10-L17 HydrophobicContact CG2-CD2 3.75Å; D13-L17 WeakPolarHBondContact O-CB 3.36Å; D13-L17 PolarHBondContact O-N 3.35Å; L17-K19 PolarHBondContact O-N 3.29Å; L17-K20 WeakPolarHBondContact O-CB 3.28Å; L17-K20 PolarHBondContact O-N 3.45Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.21Å; L17-I45 HydrophobicContact CB-CD1 4Å; L17-I45 HydrophobicContact CD2-CD1 4.03Å; L17-I45 HydrophobicContact CG-CD1 3.72Å; L17-Y157 WeakPolarHBondContact CD1-OH 3.47Å |
| 18 | R | 98.2 | Very high | 97.7 | Very high | 101 Ų | 101 | 58.9 Ų | 58.9 | 38% | 0.381 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 172.7 | -177.9 | -174.7 | 178.2 | -80.3 | -2.1 | 112.2 | A14 E16 K20 A21 L22 I38 A40 I45 | A14-R18 VanDerWaalsContact O-CB 3.24Å; A14-R18 WeakPolarHBondContact O-CB 3.18Å; A14-R18 PolarHBondContact O-N 3.12Å; E16-R18 VanDerWaalsContact C-N 3.29Å; E16-R18 PolarHBondContact O-N 3.19Å; R18-K20 VanDerWaalsContact C-N 3.32Å; R18-A21 PolarHBondContact O-N 3.45Å; R18-L22 WeakPolarHBondContact O-CG 3.48Å; R18-L22 PolarHBondContact O-N 3.34Å; R18-L22 VanDerWaalsContact O-N 3.14Å; R18-I38 HydrophobicContact CG-CD1 3.85Å; R18-A40 HydrophobicContact CB-CB 4.25Å; R18-A40 HydrophobicContact CG-CB 3.87Å; R18-I45 HydrophobicContact CB-CD1 4.33Å |
| 19 | K | 97.8 | Very high | 97.6 | Very high | 102 Ų | 102 | 63.2 Ų | 63.2 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 176 | -64 | 172.3 | -171.2 | 164.8 | 0 | 110.1 | V15 E16 L17 L22 E23 | V15-K19 PolarHBondContact O-N 3.45Å; E16-K19 WeakPolarHBondContact O-CB 3.28Å; E16-K19 PolarHBondContact O-N 3.04Å; E16-K19 VanDerWaalsContact O-N 3.1Å; E16-K19 IonicContact OE1-NZ 2.71Å; E16-K19 PolarHBondContact OE1-NZ 3.01Å; E16-K19 IonicContact OE2-NZ 2.89Å; E16-K19 PolarHBondContact OE2-NZ 2.86Å; L17-K19 PolarHBondContact O-N 3.29Å; K19-L22 PolarHBondContact O-N 3.06Å; K19-E23 PolarHBondContact O-N 2.99Å |
| 20 | K | 97.7 | Very high | 97.6 | Very high | 77 Ų | 77 | 61.5 Ų | 61.5 | 34% | 0.335 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.3 | -169.9 | 61.6 | 176.3 | 179.1 | 0 | 112.3 | E16 L17 R18 L22 E23 L24 | E16-K20 PolarHBondContact O-N 3.08Å; L17-K20 WeakPolarHBondContact O-CB 3.28Å; L17-K20 PolarHBondContact O-N 3.45Å; R18-K20 VanDerWaalsContact C-N 3.32Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-L22 PolarHBondContact O-N 3.04Å; K20-E23 IonicContact NZ-OE2 2.64Å; K20-E23 WeakPolarHBondContact O-CB 3.23Å; K20-E23 PolarHBondContact O-N 3.17Å; K20-E23 VanDerWaalsContact O-N 3.1Å; K20-L24 HydrophobicContact CG-CD1 3.98Å; K20-L24 HydrophobicContact CG-CG 4.38Å; K20-L24 WeakPolarHBondContact O-CG 3.21Å; K20-L24 PolarHBondContact O-N 3.47Å |
| 21 | A | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F5 L17 R18 E23 L24 S25 I38 I45 | F5-A21 HydrophobicContact CD1-CB 4.09Å; F5-A21 HydrophobicContact CE1-CB 3.68Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.21Å; R18-A21 PolarHBondContact O-N 3.45Å; A21-E23 VanDerWaalsContact C-N 3.35Å; A21-E23 PolarHBondContact O-N 3.05Å; A21-L24 PolarHBondContact O-N 3.08Å; A21-S25 WeakPolarHBondContact O-CB 3.5Å; A21-S25 PolarHBondContact O-N 2.66Å; A21-I38 HydrophobicContact CB-CD1 4.44Å; A21-I45 HydrophobicContact CB-CG2 3.69Å |
| 22 | L | 97.9 | Very high | 97.4 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 173.8 | -73.4 | 168.1 | 0 | 0 | 0 | 112.6 | R18 K19 K20 R26 I38 | R18-L22 WeakPolarHBondContact O-CG 3.48Å; R18-L22 PolarHBondContact O-N 3.34Å; R18-L22 VanDerWaalsContact O-N 3.14Å; K19-L22 PolarHBondContact O-N 3.06Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-L22 PolarHBondContact O-N 3.04Å; L22-R26 WeakPolarHBondContact O-CB 3.42Å; L22-R26 PolarHBondContact O-N 3.44Å; L22-I38 HydrophobicContact CD1-CD1 4.47Å; L22-I38 HydrophobicContact CD2-CB 4.23Å; L22-I38 HydrophobicContact CD2-CD1 3.77Å; L22-I38 HydrophobicContact CD2-CG2 4.12Å; L22-I38 HydrophobicContact CG-CD1 3.72Å |
| 23 | E | 98.1 | Very high | 97.2 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 176.3 | -68.6 | 177.6 | 174.7 | 0 | 0 | 112.4 | K19 K20 A21 R26 | K19-E23 PolarHBondContact O-N 2.99Å; K20-E23 IonicContact NZ-OE2 2.64Å; K20-E23 WeakPolarHBondContact O-CB 3.23Å; K20-E23 PolarHBondContact O-N 3.17Å; K20-E23 VanDerWaalsContact O-N 3.1Å; A21-E23 VanDerWaalsContact C-N 3.35Å; A21-E23 PolarHBondContact O-N 3.05Å; E23-R26 WeakPolarHBondContact O-CB 3.45Å |
| 24 | L | 98.5 | Very high | 97 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.8 | -42.6 | -178.9 | -64.9 | 174.1 | 0 | 0 | 0 | 111.8 | F5 K20 A21 R26 L27 P167 V168 | F5-L24 HydrophobicContact CD2-CB 4.34Å; F5-L24 HydrophobicContact CE1-CB 4.45Å; F5-L24 HydrophobicContact CE2-CB 3.68Å; F5-L24 HydrophobicContact CE2-CD1 4.05Å; F5-L24 HydrophobicContact CZ-CB 3.74Å; F5-L24 HydrophobicContact CZ-CD1 3.59Å; F5-L24 HydrophobicContact CZ-CG 4.32Å; K20-L24 HydrophobicContact CG-CD1 3.98Å; K20-L24 HydrophobicContact CG-CG 4.38Å; K20-L24 WeakPolarHBondContact O-CG 3.21Å; K20-L24 PolarHBondContact O-N 3.47Å; A21-L24 PolarHBondContact O-N 3.08Å; L24-R26 PolarHBondContact O-N 2.99Å; L24-L27 HydrophobicContact CD2-CD1 4.37Å; L24-L27 VanDerWaalsContact O-CB 3.31Å; L24-L27 WeakPolarHBondContact O-CB 3.21Å; L24-L27 PolarHBondContact O-N 2.95Å; L24-L27 VanDerWaalsContact O-N 3.08Å; L24-P167 HydrophobicContact CD2-CB 3.83Å; L24-P167 HydrophobicContact CD2-CG 3.84Å; L24-V168 HydrophobicContact CD1-CB 4.05Å; L24-V168 HydrophobicContact CD1-CG1 3.69Å |
| 25 | S | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -39.6 | 172.8 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | A21 L27 M28 E49 | A21-S25 WeakPolarHBondContact O-CB 3.5Å; A21-S25 PolarHBondContact O-N 2.66Å; S25-L27 PolarHBondContact O-N 3.12Å; S25-L27 VanDerWaalsContact O-N 3.1Å; S25-M28 PolarHBondContact O-N 3.4Å; S25-E49 WeakPolarHBondContact OG-CG 3.41Å; S25-E49 PolarHBondContact OG-OE1 3.43Å |
| 26 | R | 97.6 | Very high | 96.8 | Very high | 139 Ų | 139 | 57 Ų | 57 | 53% | 0.525 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -59.9 | -23.7 | 179.3 | 179 | 174.1 | 61.4 | 173.9 | -2.4 | 113.6 | L22 E23 L24 M28 R29 | L22-R26 WeakPolarHBondContact O-CB 3.42Å; L22-R26 PolarHBondContact O-N 3.44Å; E23-R26 WeakPolarHBondContact O-CB 3.45Å; L24-R26 PolarHBondContact O-N 2.99Å; R26-M28 PolarHBondContact O-N 3.35Å; R26-R29 WeakPolarHBondContact O-CB 3.49Å; R26-R29 PolarHBondContact O-N 3.18Å |
| 27 | L | 98 | Very high | 96.7 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 29% | 0.293 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -64.9 | -15.8 | 174.7 | -60.3 | 175.9 | 0 | 0 | 0 | 112.7 | L24 S25 H30 K163 P167 | L24-L27 HydrophobicContact CD2-CD1 4.37Å; L24-L27 VanDerWaalsContact O-CB 3.31Å; L24-L27 WeakPolarHBondContact O-CB 3.21Å; L24-L27 PolarHBondContact O-N 2.95Å; L24-L27 VanDerWaalsContact O-N 3.08Å; S25-L27 PolarHBondContact O-N 3.12Å; S25-L27 VanDerWaalsContact O-N 3.1Å; L27-H30 PolarHBondContact O-CE1 2.97Å; L27-H30 VanDerWaalsContact O-CE1 3.31Å; L27-H30 PolarHBondContact O-ND1 3.35Å; L27-K163 HydrophobicContact CB-CG 4.39Å; L27-K163 WeakPolarHBondContact CD1-O 3.25Å; L27-K163 WeakPolarHBondContact O-CD 3.39Å; L27-P167 HydrophobicContact CD1-CG 4.11Å |
| 28 | M | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -108.3 | 5.5 | 177.3 | -60.4 | -179 | -71.1 | 0 | 0 | 113.7 | S3 I4 F5 S25 R26 H30 R31 A159 E161 A164 | S3-M28 WeakPolarHBondContact OG-CB 3.48Å; I4-M28 WeakPolarHBondContact O-CE 3.2Å; F5-M28 HydrophobicContact CB-CE 3.84Å; F5-M28 HydrophobicContact CD2-CE 4.23Å; S25-M28 PolarHBondContact O-N 3.4Å; R26-M28 PolarHBondContact O-N 3.35Å; M28-H30 PolarHBondContact O-N 2.9Å; M28-H30 VanDerWaalsContact O-N 3.11Å; M28-R31 WeakPolarHBondContact O-CB 3.41Å; M28-R31 WeakPolarHBondContact O-CG 3.23Å; M28-R31 PolarHBondContact O-N 2.84Å; M28-A159 HydrophobicContact CE-CB 4.04Å; M28-A159 HydrophobicContact SD-CB 4.19Å; M28-E161 HydrophobicContact CG-CB 3.93Å; M28-E161 HydrophobicContact CG-CG 4.3Å; M28-E161 HydrophobicContact SD-CB 3.8Å; M28-E161 HydrophobicContact SD-CG 4.26Å; M28-E161 PolarHBondContact SD-N 3.44Å; M28-E161 VanDerWaalsContact SD-N 3.35Å; M28-A164 HydrophobicContact CE-CB 3.58Å; M28-A164 HydrophobicContact CG-CB 4.1Å; M28-A164 HydrophobicContact SD-CB 3.86Å |
| 29 | R | 97.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 50.8 Ų | 50.8 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.6 | -176 | -174.1 | 170.6 | -63.4 | 153.1 | 6.7 | 113.8 | R26 R31 G32 P33 E49 | R26-R29 WeakPolarHBondContact O-CB 3.49Å; R26-R29 PolarHBondContact O-N 3.18Å; R29-R31 PolarHBondContact O-N 3.24Å; R29-G32 CarbonylContact O-C 3.53Å; R29-G32 VanDerWaalsContact O-C 3.29Å; R29-G32 PolarHBondContact O-N 2.77Å; R29-P33 WeakPolarHBondContact O-CA 3.46Å; R29-E49 HydrophobicContact CB-CG 4.46Å; R29-E49 IonicContact CZ-OE2 3.4Å; R29-E49 IonicContact NE-OE1 2.65Å; R29-E49 IonicContact NE-OE2 2.75Å; R29-E49 PolarHBondContact NE-OE2 3.15Å; R29-E49 VanDerWaalsContact NE-OE2 3.12Å; R29-E49 IonicContact NH2-OE1 2.97Å; R29-E49 IonicContact NH2-OE2 3.51Å |
| 30 | H | 96.5 | Very high | 96.7 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 18% | 0.181 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.5 | 174.3 | 56.4 | -85.5 | 0 | 0 | 0 | 112.8 | L27 M28 E161 H315 S394 G397 | L27-H30 PolarHBondContact O-CE1 2.97Å; L27-H30 VanDerWaalsContact O-CE1 3.31Å; L27-H30 PolarHBondContact O-ND1 3.35Å; M28-H30 PolarHBondContact O-N 2.9Å; M28-H30 VanDerWaalsContact O-N 3.11Å; H30-E161 IonicContact CE1-OE1 3.84Å; H30-E161 IonicContact CE1-OE2 3.31Å; H30-E161 PolarHBondContact CE1-OE2 2.91Å; H30-E161 IonicContact NE2-OE1 3.67Å; H30-E161 PolarHBondContact NE2-OE1 3.3Å; H30-E161 VanDerWaalsContact NE2-OE1 3.08Å; H30-E161 IonicContact NE2-OE2 3.69Å; H30-E161 PolarHBondContact NE2-OE2 3.31Å; H30-E161 VanDerWaalsContact NE2-OE2 3.07Å; H30-H315 AromaticContact CD2-CE1 3.91Å; H30-H315 AromaticContact CD2-ND1 3.74Å; H30-H315 AromaticContact CE1-ND1 3.9Å; H30-H315 AromaticContact CG-CE1 3.87Å; H30-H315 AromaticContact NE2-ND1 3.58Å; H30-S394 CarbonylContact C-O 3.58Å; H30-S394 PolarHBondContact CD2-O 2.88Å; H30-G397 VanDerWaalsContact O-CA 3.25Å; H30-G397 WeakPolarHBondContact O-CA 3.49Å; H30-G397 PolarHBondContact O-N 3.3Å; H30-G397 VanDerWaalsContact O-N 3.09Å |
| 31 | R | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -47.2 | -179.9 | -51.1 | 177.6 | 62.4 | 87.5 | 2.9 | 111.1 | M1 C2 M28 R29 E161 N390 S394 G397 | M1-R31 PolarHBondContact N-O 3.47Å; M1-R31 CarbonylContact O-C 3.59Å; M1-R31 WeakPolarHBondContact O-CA 3.1Å; M1-R31 WeakPolarHBondContact O-CB 3.34Å; M1-R31 PolarHBondContact SD-NH2 2.77Å; C2-R31 PolarHBondContact O-NE 3.2Å; M28-R31 WeakPolarHBondContact O-CB 3.41Å; M28-R31 WeakPolarHBondContact O-CG 3.23Å; M28-R31 PolarHBondContact O-N 2.84Å; R29-R31 PolarHBondContact O-N 3.24Å; R31-E161 WeakPolarHBondContact CD-OE1 3.25Å; R31-E161 IonicContact CZ-OE1 3.56Å; R31-E161 IonicContact NE-OE1 3.39Å; R31-E161 IonicContact NH1-OE1 2.73Å; R31-E161 PolarHBondContact NH1-OE1 2.76Å; R31-N390 PolarHBondContact NH1-OD1 3.26Å; R31-N390 PolarHBondContact NH2-OD1 3.38Å; R31-S394 WeakPolarHBondContact CA-O 3.12Å; R31-G397 VanDerWaalsContact O-CA 3.32Å; R31-G397 WeakPolarHBondContact O-CA 3.41Å |
| 32 | G | 94.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -131.9 | 73.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 R29 D34 E49 R50 | M1-G32 PolarHBondContact O-N 3.48Å; R29-G32 CarbonylContact O-C 3.53Å; R29-G32 VanDerWaalsContact O-C 3.29Å; R29-G32 PolarHBondContact O-N 2.77Å; G32-D34 PolarHBondContact O-N 3.29Å; G32-E49 CarbonylContact O-C 3.58Å; G32-R50 CarbonylContact C-O 3.52Å; G32-R50 WeakPolarHBondContact CA-O 3.42Å; G32-R50 CarbonylContact O-C 3.23Å; G32-R50 PolarHBondContact O-N 2.82Å; G32-R50 VanDerWaalsContact O-O 3.05Å | ||
| 33 | P | 92.2 | Very high | 96.7 | Very high | 64 Ų | 64 | 51.9 Ų | 51.9 | 42% | 0.416 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.7 | -175.8 | 32.5 | -37.3 | 0 | 0 | 0 | 114 | R29 | R29-P33 WeakPolarHBondContact O-CA 3.46Š|
| 34 | D | 93.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -28.7 | -168.8 | -60.6 | -19.6 | 0 | 0 | 0 | 112.3 | G32 R50 S52 K343 | G32-D34 PolarHBondContact O-N 3.29Å; D34-R50 WeakPolarHBondContact CB-O 3.14Å; D34-R50 PolarHBondContact N-O 2.97Å; D34-S52 VanDerWaalsContact CB-OG 3.31Å; D34-S52 WeakPolarHBondContact CB-OG 3.38Å; D34-S52 WeakPolarHBondContact OD2-CB 3.27Å; D34-S52 PolarHBondContact OD2-N 3.21Å; D34-S52 PolarHBondContact OD2-OG 3.49Å; D34-K343 IonicContact OD1-NZ 2.7Å; D34-K343 IonicContact OD2-NZ 3.64Å; D34-K343 PolarHBondContact OD2-NZ 3.16Å |
| 35 | W | 93.3 | Very high | 96.7 | Very high | 144 Ų | 144 | 47.1 Ų | 47.1 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 149.1 | 177.3 | -173.3 | -101.7 | 0 | 0 | 0 | 111.5 | R50 | W35-R50 HydrophobicContact CB-CB 3.93Å; W35-R50 PolarHBondContact O-N 3.04Å |
| 36 | S | 94.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.2 | 169.9 | -49.8 | 0 | 0 | 0 | 0 | 109.2 | H48 E49 | S36-H48 WeakPolarHBondContact CA-O 3.34Å; S36-E49 WeakPolarHBondContact CB-OE2 2.97Å; S36-E49 PolarHBondContact OG-OE2 2.84Å |
| 37 | G | 95.9 | Very high | 96.8 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 154.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A47 H48 Q61 | G37-A47 CarbonylContact O-C 3.58Å; G37-A47 VanDerWaalsContact O-CA 3.31Å; G37-A47 WeakPolarHBondContact O-CA 3.15Å; G37-H48 PolarHBondContact N-O 2.98Å; G37-H48 PolarHBondContact O-N 2.81Å; G37-Q61 WeakPolarHBondContact CA-O 3.45Å |
| 38 | I | 97.7 | Very high | 96.8 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 19% | 0.185 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 134.3 | 177.5 | -168.8 | 165.7 | 0 | 0 | 0 | 111.5 | R18 A21 L22 I45 L46 A47 | R18-I38 HydrophobicContact CG-CD1 3.85Å; A21-I38 HydrophobicContact CB-CD1 4.44Å; L22-I38 HydrophobicContact CD1-CD1 4.47Å; L22-I38 HydrophobicContact CD2-CB 4.23Å; L22-I38 HydrophobicContact CD2-CD1 3.77Å; L22-I38 HydrophobicContact CD2-CG2 4.12Å; L22-I38 HydrophobicContact CG-CD1 3.72Å; I38-I45 HydrophobicContact CD1-CG2 3.93Å; I38-I45 HydrophobicContact CG1-CG2 4.11Å; I38-L46 CarbonylContact C-O 3.6Å; I38-L46 VanDerWaalsContact CA-O 3.3Å; I38-L46 WeakPolarHBondContact CA-O 3.35Å; I38-A47 HydrophobicContact CB-CB 4.48Å; I38-A47 HydrophobicContact CD1-CB 4.33Å; I38-A47 HydrophobicContact CG1-CB 4.21Å |
| 39 | Y | 98.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 38 Ų | 38 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141.7 | 160.2 | 169.5 | -96.3 | 0 | 0 | 0 | 108.6 | S41 I45 L46 Y64 V71 Y127 | Y39-S41 WeakPolarHBondContact OH-CB 3.16Å; Y39-I45 CarbonylContact O-C 3.58Å; Y39-I45 VanDerWaalsContact O-CA 3.3Å; Y39-I45 WeakPolarHBondContact O-CA 3.4Å; Y39-L46 PolarHBondContact N-O 3.47Å; Y39-L46 PolarHBondContact O-N 3.06Å; Y39-Y64 AromaticContact CD2-CE1 3.93Å; Y39-Y64 HydrophobicContact CD2-CE1 3.93Å; Y39-V71 HydrophobicContact CD1-CB 4.4Å; Y39-V71 HydrophobicContact CD1-CG1 4.11Å; Y39-V71 HydrophobicContact CD1-CG2 4.21Å; Y39-V71 HydrophobicContact CD2-CG1 4.15Å; Y39-V71 HydrophobicContact CD2-CG2 3.82Å; Y39-V71 HydrophobicContact CE1-CG2 4.13Å; Y39-V71 HydrophobicContact CE2-CG2 3.72Å; Y39-V71 HydrophobicContact CG-CB 4.35Å; Y39-V71 HydrophobicContact CG-CG1 3.73Å; Y39-V71 HydrophobicContact CG-CG2 4.05Å; Y39-Y127 AromaticContact CE1-CD1 3.72Å; Y39-Y127 HydrophobicContact CE1-CD1 3.72Å; Y39-Y127 HydrophobicContact CE1-CE1 4.14Å; Y39-Y127 WeakPolarHBondContact OH-CE1 3.44Å |
| 40 | A | 98.1 | Very high | 96.6 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 133.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R18 A44 I45 | R18-A40 HydrophobicContact CB-CB 4.25Å; R18-A40 HydrophobicContact CG-CB 3.87Å; A40-A44 WeakPolarHBondContact CA-O 3.25Å; A40-I45 HydrophobicContact CB-CG1 3.89Å |
| 41 | S | 97.9 | Very high | 96.4 | Very high | 31 Ų | 31 | 32.6 Ų | 32.6 | 22% | 0.217 | 18% | 0.178 | C | C | . | . | trans | -133.5 | -176.7 | 169.5 | 68.7 | 0 | 0 | 0 | 0 | 109.3 | A14 Y39 N43 A44 | A14-S41 WeakPolarHBondContact CB-O 3.42Å; Y39-S41 WeakPolarHBondContact OH-CB 3.16Å; S41-N43 PolarHBondContact O-N 3.14Å; S41-N43 PolarHBondContact OG-N 2.81Å; S41-A44 PolarHBondContact N-O 2.92Å; S41-A44 PolarHBondContact OG-N 3.44Å; S41-A44 VanDerWaalsContact OG-N 3.15Å; S41-A44 PolarHBondContact OG-O 3.29Å | ||
| 42 | D | 97.7 | Very high | 96 | Very high | 129 Ų | 129 | 33 Ų | 33 | 69% | 0.69 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -66 | -19.8 | 175.6 | -64.8 | -24 | 0 | 0 | 0 | 112.8 | I10 | I10-D42 WeakPolarHBondContact CB-O 3.43Å; I10-D42 WeakPolarHBondContact CG2-O 3.44Å |
| 43 | N | 97.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 33.1 Ų | 33.1 | 33% | 0.332 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -113 | -27.8 | -172.2 | -63.1 | -13.3 | 0 | 0 | 0 | 113.9 | D9 I10 S41 Y127 D132 | D9-N43 PolarHBondContact N-O 3.29Å; I10-N43 WeakPolarHBondContact CG1-O 3.46Å; S41-N43 PolarHBondContact O-N 3.14Å; S41-N43 PolarHBondContact OG-N 2.81Å; N43-Y127 HydrophobicContact CB-CE2 4.47Å; N43-Y127 WeakPolarHBondContact CB-OH 3.31Å; N43-Y127 PolarHBondContact ND2-OH 3.26Å; N43-D132 WeakPolarHBondContact CB-OD1 3.42Å; N43-D132 PolarHBondContact ND2-OD1 3.35Å; N43-D132 PolarHBondContact ND2-OD2 3.21Å |
| 44 | A | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 147.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V7 F8 A40 S41 Y127 | V7-A44 CarbonylContact O-C 3.49Å; V7-A44 VanDerWaalsContact O-CA 3.29Å; V7-A44 WeakPolarHBondContact O-CA 3.49Å; F8-A44 HydrophobicContact CD1-CB 3.9Å; F8-A44 HydrophobicContact CE1-CB 4.26Å; A40-A44 WeakPolarHBondContact CA-O 3.25Å; S41-A44 PolarHBondContact N-O 2.92Å; S41-A44 PolarHBondContact OG-N 3.44Å; S41-A44 VanDerWaalsContact OG-N 3.15Å; S41-A44 PolarHBondContact OG-O 3.29Å; A44-Y127 HydrophobicContact CB-CD1 3.88Å; A44-Y127 HydrophobicContact CB-CD2 3.54Å; A44-Y127 HydrophobicContact CB-CE1 4.06Å; A44-Y127 HydrophobicContact CB-CE2 3.75Å; A44-Y127 HydrophobicContact CB-CG 3.61Å |
| 45 | I | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131.9 | 170.8 | -66.7 | 160.2 | 0 | 0 | 0 | 108.3 | G6 V7 I10 L17 R18 A21 I38 Y39 A40 | G6-I45 CarbonylContact C-O 3.58Å; G6-I45 VanDerWaalsContact CA-O 3.26Å; G6-I45 WeakPolarHBondContact CA-O 3.45Å; V7-I45 HydrophobicContact CB-CB 4.22Å; V7-I45 HydrophobicContact CG2-CB 4.34Å; V7-I45 PolarHBondContact N-O 3.18Å; V7-I45 PolarHBondContact O-N 3.46Å; I10-I45 HydrophobicContact CD1-CD1 3.83Å; I10-I45 HydrophobicContact CD1-CG1 3.84Å; L17-I45 HydrophobicContact CB-CD1 4Å; L17-I45 HydrophobicContact CD2-CD1 4.03Å; L17-I45 HydrophobicContact CG-CD1 3.72Å; R18-I45 HydrophobicContact CB-CD1 4.33Å; A21-I45 HydrophobicContact CB-CG2 3.69Å; I38-I45 HydrophobicContact CD1-CG2 3.93Å; I38-I45 HydrophobicContact CG1-CG2 4.11Å; Y39-I45 CarbonylContact O-C 3.58Å; Y39-I45 VanDerWaalsContact O-CA 3.3Å; Y39-I45 WeakPolarHBondContact O-CA 3.4Å; A40-I45 HydrophobicContact CB-CG1 3.89Å |
| 46 | L | 98.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 114 | 173.3 | -66.4 | 177.7 | 0 | 0 | 0 | 109 | F8 I38 Y39 P62 V71 A73 A125 | F8-L46 HydrophobicContact CE1-CD2 4.09Å; F8-L46 HydrophobicContact CE2-CD2 4.44Å; F8-L46 HydrophobicContact CZ-CD2 3.65Å; I38-L46 CarbonylContact C-O 3.6Å; I38-L46 VanDerWaalsContact CA-O 3.3Å; I38-L46 WeakPolarHBondContact CA-O 3.35Å; Y39-L46 PolarHBondContact N-O 3.47Å; Y39-L46 PolarHBondContact O-N 3.06Å; L46-P62 HydrophobicContact CB-CG 4.17Å; L46-P62 WeakPolarHBondContact O-CG 3.48Å; L46-V71 HydrophobicContact CD1-CB 4.1Å; L46-V71 HydrophobicContact CD1-CG1 3.91Å; L46-A73 HydrophobicContact CB-CB 4.45Å; L46-A125 HydrophobicContact CD2-CB 3.72Å |
| 47 | A | 98.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 149.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F5 G37 I38 | F5-A47 HydrophobicContact CB-CB 4.26Å; F5-A47 PolarHBondContact N-O 3.08Å; F5-A47 PolarHBondContact O-N 3.38Å; G37-A47 CarbonylContact O-C 3.58Å; G37-A47 VanDerWaalsContact O-CA 3.31Å; G37-A47 WeakPolarHBondContact O-CA 3.15Å; I38-A47 HydrophobicContact CB-CB 4.48Å; I38-A47 HydrophobicContact CD1-CB 4.33Å; I38-A47 HydrophobicContact CG1-CB 4.21Å |
| 48 | H | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 135.2 | -177.7 | -172.7 | -89 | 0 | 0 | 0 | 110.5 | C2 S3 S36 G37 Q61 V74 | C2-H48 VanDerWaalsContact SG-CE1 3.56Å; S3-H48 WeakPolarHBondContact O-CA 3.24Å; S36-H48 WeakPolarHBondContact CA-O 3.34Å; G37-H48 PolarHBondContact N-O 2.98Å; G37-H48 PolarHBondContact O-N 2.81Å; H48-Q61 HydrophobicContact CB-CB 4.04Å; H48-Q61 PolarHBondContact CD2-OE1 3.29Å; H48-Q61 VanDerWaalsContact CD2-OE1 3.27Å; H48-Q61 PolarHBondContact NE2-OE1 3.42Å; H48-Q61 VanDerWaalsContact NE2-OE1 3.15Å; H48-V74 PolarHBondContact CD2-O 3.1Å; H48-V74 PolarHBondContact NE2-O 3.2Å |
| 49 | E | 97 | Very high | 90.9 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.6 | 167.6 | -52.7 | -72.8 | 165.1 | 0 | 0 | 107.7 | C2 S3 S25 R29 G32 S36 | C2-E49 CarbonylContact C-O 3.48Å; C2-E49 WeakPolarHBondContact CA-O 3.36Å; C2-E49 WeakPolarHBondContact CB-O 3.35Å; S3-E49 PolarHBondContact N-O 2.74Å; S3-E49 PolarHBondContact O-N 3.25Å; S3-E49 WeakPolarHBondContact OG-CB 3.39Å; S3-E49 WeakPolarHBondContact OG-CG 3.49Å; S25-E49 WeakPolarHBondContact OG-CG 3.41Å; S25-E49 PolarHBondContact OG-OE1 3.43Å; R29-E49 HydrophobicContact CB-CG 4.46Å; R29-E49 IonicContact CZ-OE2 3.4Å; R29-E49 IonicContact NE-OE1 2.65Å; R29-E49 IonicContact NE-OE2 2.75Å; R29-E49 PolarHBondContact NE-OE2 3.15Å; R29-E49 VanDerWaalsContact NE-OE2 3.12Å; R29-E49 IonicContact NH2-OE1 2.97Å; R29-E49 IonicContact NH2-OE2 3.51Å; G32-E49 CarbonylContact O-C 3.58Å; S36-E49 WeakPolarHBondContact CB-OE2 2.97Å; S36-E49 PolarHBondContact OG-OE2 2.84Å |
| 50 | R | 94.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 5% | 0.053 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.9 | -166.7 | -172.7 | -179.1 | -178.6 | -127 | 1.5 | 112.2 | G32 D34 W35 S52 V54 D55 V56 G59 | G32-R50 CarbonylContact C-O 3.52Å; G32-R50 WeakPolarHBondContact CA-O 3.42Å; G32-R50 CarbonylContact O-C 3.23Å; G32-R50 PolarHBondContact O-N 2.82Å; G32-R50 VanDerWaalsContact O-O 3.05Å; D34-R50 WeakPolarHBondContact CB-O 3.14Å; D34-R50 PolarHBondContact N-O 2.97Å; W35-R50 HydrophobicContact CB-CB 3.93Å; W35-R50 PolarHBondContact O-N 3.04Å; R50-S52 PolarHBondContact NH1-OG 2.75Å; R50-V54 PolarHBondContact NH2-O 3.16Å; R50-V54 VanDerWaalsContact NH2-O 3.08Å; R50-D55 PolarHBondContact NH2-O 2.84Å; R50-V56 PolarHBondContact NH1-O 3.42Å; R50-G59 WeakPolarHBondContact CD-O 3.2Å; R50-G59 PolarHBondContact NE-O 3.21Å |
| 51 | L | 92.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | trans | -96.7 | 117.3 | 155 | -172.5 | 69.5 | 0 | 0 | 0 | 108 | C2 I53 K343 G397 E399 | C2-L51 PolarHBondContact SG-N 2.87Å; L51-I53 HydrophobicContact CD2-CD1 3.73Å; L51-I53 HydrophobicContact CD2-CG1 4.1Å; L51-I53 HydrophobicContact CG-CD1 4.27Å; L51-I53 HydrophobicContact CG-CG1 4.18Å; L51-I53 PolarHBondContact O-N 3.38Å; L51-I53 VanDerWaalsContact O-N 3.16Å; L51-K343 HydrophobicContact CD1-CD 4.15Å; L51-K343 HydrophobicContact CD2-CB 4.47Å; L51-G397 WeakPolarHBondContact CD1-O 3.33Å; L51-G397 WeakPolarHBondContact CD2-O 3.41Å; L51-E399 HydrophobicContact CD2-CB 4.24Å | ||
| 52 | S | 88.1 | Confident | 90.3 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | trans | -81.1 | 99.8 | -175.8 | -48.9 | 0 | 0 | 0 | 0 | 109.4 | D34 R50 V228 K343 | D34-S52 VanDerWaalsContact CB-OG 3.31Å; D34-S52 WeakPolarHBondContact CB-OG 3.38Å; D34-S52 WeakPolarHBondContact OD2-CB 3.27Å; D34-S52 PolarHBondContact OD2-N 3.21Å; D34-S52 PolarHBondContact OD2-OG 3.49Å; R50-S52 PolarHBondContact NH1-OG 2.75Å; S52-V228 WeakPolarHBondContact O-CG1 3.35Å; S52-K343 PolarHBondContact O-NZ 3.38Å; S52-K343 VanDerWaalsContact O-NZ 3.14Å | ||
| 53 | I | 85.5 | Confident | 90.2 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | trans | -111.3 | -59.3 | 176.3 | -66.7 | 169.4 | 0 | 0 | 0 | 111.1 | L51 D227 V228 M344 E399 | L51-I53 HydrophobicContact CD2-CD1 3.73Å; L51-I53 HydrophobicContact CD2-CG1 4.1Å; L51-I53 HydrophobicContact CG-CD1 4.27Å; L51-I53 HydrophobicContact CG-CG1 4.18Å; L51-I53 PolarHBondContact O-N 3.38Å; L51-I53 VanDerWaalsContact O-N 3.16Å; I53-D227 WeakPolarHBondContact O-CB 3.5Å; I53-D227 PolarHBondContact O-N 2.87Å; I53-V228 HydrophobicContact CB-CG2 4.08Å; I53-V228 HydrophobicContact CG1-CG2 3.94Å; I53-V228 HydrophobicContact CG2-CG2 3.93Å; I53-M344 HydrophobicContact CD1-CB 4.23Å; I53-E399 HydrophobicContact CD1-CB 3.71Å; I53-E399 VanDerWaalsContact CD1-CD 3.44Å; I53-E399 HydrophobicContact CD1-CG 4.21Å; I53-E399 VanDerWaalsContact CD1-OE2 3.24Å; I53-E399 WeakPolarHBondContact CD1-OE2 3.29Å | ||
| 54 | V | 81.8 | Confident | 90.2 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 10% | 0.097 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -100.4 | 136.7 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | R50 M225 | R50-V54 PolarHBondContact NH2-O 3.16Å; R50-V54 VanDerWaalsContact NH2-O 3.08Å; V54-M225 HydrophobicContact CG2-CE 4Å; V54-M225 HydrophobicContact CG2-CG 3.99Å; V54-M225 HydrophobicContact CG2-SD 4.46Å |
| 55 | D | 81.2 | Confident | 90.2 | Very high | 27 Ų | 27 | 23 Ų | 23 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 52.9 | 65.5 | 179.9 | -176 | 8.2 | 0 | 0 | 0 | 112.4 | R50 N57 A58 G59 G97 S98 D227 | R50-D55 PolarHBondContact NH2-O 2.84Å; D55-N57 PolarHBondContact O-N 2.89Å; D55-A58 PolarHBondContact O-N 3.15Å; D55-A58 PolarHBondContact OD1-N 3.46Å; D55-A58 WeakPolarHBondContact OD2-CB 3.29Å; D55-G59 PolarHBondContact O-N 2.9Å; D55-G59 PolarHBondContact OD2-N 3.19Å; D55-G97 WeakPolarHBondContact OD2-CA 3.2Å; D55-G97 PolarHBondContact OD2-N 2.93Å; D55-S98 PolarHBondContact OD2-N 3.5Å; D55-D227 PolarHBondContact N-OD2 3.4Å |
| 56 | V | 74 | Confident | 90.1 | Very high | 62 Ų | 62 | 27.5 Ų | 27.5 | 38% | 0.376 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -34.4 | -175.2 | 178 | 0 | 0 | 0 | 0 | 112.8 | R50 D227 V228 | R50-V56 PolarHBondContact NH1-O 3.42Å; V56-D227 HydrophobicContact CG2-CB 4.22Å; V56-V228 HydrophobicContact CG2-CG1 4.06Å |
| 57 | N | 76 | Confident | 90 | Very high | 159 Ų | 159 | 32.9 Ų | 32.9 | 85% | 0.85 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -38.2 | -171.8 | -65.4 | -40.6 | 0 | 0 | 0 | 114.4 | D55 | D55-N57 PolarHBondContact O-N 2.89Š|
| 58 | A | 79 | Confident | 89.9 | Confident | 49 Ų | 49 | 39.7 Ų | 39.7 | 41% | 0.405 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -6.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D55 A60 | D55-A58 PolarHBondContact O-N 3.15Å; D55-A58 PolarHBondContact OD1-N 3.46Å; D55-A58 WeakPolarHBondContact OD2-CB 3.29Å; A58-A60 PolarHBondContact O-N 3.16Å |
| 59 | G | 77.5 | Confident | 89.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | trans | -77.9 | 24.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R50 D55 | R50-G59 WeakPolarHBondContact CD-O 3.2Å; R50-G59 PolarHBondContact NE-O 3.21Å; D55-G59 PolarHBondContact O-N 2.9Å; D55-G59 PolarHBondContact OD2-N 3.19Å | ||
| 60 | A | 88.6 | Confident | 90 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | trans | -65.2 | 135.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A58 | A58-A60 PolarHBondContact O-N 3.16Š| ||
| 61 | Q | 94.8 | Very high | 90.2 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -115.6 | 154 | 179.6 | -54.7 | -162.5 | 12.8 | 0 | 0 | 110.6 | G37 H48 L63 V74 | G37-Q61 WeakPolarHBondContact CA-O 3.45Å; H48-Q61 HydrophobicContact CB-CB 4.04Å; H48-Q61 PolarHBondContact CD2-OE1 3.29Å; H48-Q61 VanDerWaalsContact CD2-OE1 3.27Å; H48-Q61 PolarHBondContact NE2-OE1 3.42Å; H48-Q61 VanDerWaalsContact NE2-OE1 3.15Å; Q61-L63 HydrophobicContact CG-CD1 4.48Å; Q61-L63 HydrophobicContact CG-CD2 4.46Å; Q61-L63 HydrophobicContact CG-CG 4.02Å; Q61-V74 PolarHBondContact OE1-O 3.02Å |
| 62 | P | 97.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | S | Bend | cis | -63.7 | 145.7 | 5.2 | -23.2 | 34.7 | 0 | 0 | 0 | 114.9 | L46 Y64 V71 L72 | L46-P62 HydrophobicContact CB-CG 4.17Å; L46-P62 WeakPolarHBondContact O-CG 3.48Å; P62-Y64 WeakPolarHBondContact O-CD2 3.34Å; P62-Y64 WeakPolarHBondContact O-CE2 3.47Å; P62-V71 HydrophobicContact CB-CG1 3.51Å; P62-V71 HydrophobicContact CG-CG1 4.33Å; P62-L72 CarbonylContact C-O 3.43Å; P62-L72 WeakPolarHBondContact CA-O 3.3Å; P62-L72 WeakPolarHBondContact CB-O 3.46Å |
| 63 | L | 96.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 155 | 172 | -63.8 | 169.3 | 0 | 0 | 0 | 109.8 | Q61 V71 L72 T96 C100 E101 L104 | Q61-L63 HydrophobicContact CG-CD1 4.48Å; Q61-L63 HydrophobicContact CG-CD2 4.46Å; Q61-L63 HydrophobicContact CG-CG 4.02Å; L63-V71 CarbonylContact O-C 3.45Å; L63-V71 WeakPolarHBondContact O-CA 3.41Å; L63-L72 HydrophobicContact CB-CB 4.33Å; L63-L72 HydrophobicContact CD1-CD2 4.28Å; L63-L72 PolarHBondContact N-O 2.95Å; L63-L72 PolarHBondContact O-N 3.46Å; L63-T96 HydrophobicContact CD2-CG2 4.05Å; L63-C100 HydrophobicContact CD1-CB 3.89Å; L63-E101 HydrophobicContact CD1-CB 4.2Å; L63-L104 HydrophobicContact CB-CD1 4.01Å |
| 64 | Y | 97.7 | Very high | 91.6 | Very high | 67 Ų | 67 | 40 Ų | 40 | 26% | 0.263 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147 | -177.9 | -59.1 | -91.4 | 0 | 0 | 0 | 110.5 | Y39 P62 K68 H70 V71 Q95 L104 | Y39-Y64 AromaticContact CD2-CE1 3.93Å; Y39-Y64 HydrophobicContact CD2-CE1 3.93Å; P62-Y64 WeakPolarHBondContact O-CD2 3.34Å; P62-Y64 WeakPolarHBondContact O-CE2 3.47Å; Y64-K68 HydrophobicContact CD1-CB 4.28Å; Y64-K68 HydrophobicContact CD1-CG 4.44Å; Y64-K68 HydrophobicContact CG-CG 4.45Å; Y64-H70 WeakPolarHBondContact CA-O 3.37Å; Y64-V71 HydrophobicContact CD1-CB 4.4Å; Y64-V71 HydrophobicContact CD1-CG1 4.18Å; Y64-V71 HydrophobicContact CD1-CG2 3.84Å; Y64-V71 HydrophobicContact CE1-CB 4.27Å; Y64-V71 HydrophobicContact CE1-CG1 3.7Å; Y64-V71 HydrophobicContact CE1-CG2 3.73Å; Y64-Q95 PolarHBondContact O-NE2 3.28Å; Y64-L104 VanDerWaalsContact C-CD1 3.47Å |
| 65 | N | 97.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | trans | -68.7 | 171.1 | 158.7 | 70.5 | -18.9 | 0 | 0 | 0 | 110.5 | Q67 K68 T69 H70 Y92 Q95 | N65-Q67 VanDerWaalsContact C-N 3.26Å; N65-Q67 PolarHBondContact ND2-OE1 3.1Å; N65-Q67 PolarHBondContact O-N 2.9Å; N65-K68 PolarHBondContact O-N 3.04Å; N65-K68 VanDerWaalsContact OD1-CA 3.29Å; N65-K68 WeakPolarHBondContact OD1-CA 3.45Å; N65-K68 PolarHBondContact OD1-N 2.69Å; N65-T69 PolarHBondContact ND2-OG1 2.96Å; N65-T69 PolarHBondContact OD1-N 2.94Å; N65-H70 HydrophobicContact CB-CB 4.19Å; N65-H70 PolarHBondContact N-O 3.24Å; N65-H70 VanDerWaalsContact N-O 3.16Å; N65-H70 PolarHBondContact ND2-ND1 3.27Å; N65-H70 PolarHBondContact OD1-N 2.94Å; N65-Y92 WeakPolarHBondContact CA-OH 3.48Å; N65-Y92 HydrophobicContact CB-CE2 4.24Å; N65-Q95 PolarHBondContact O-NE2 2.8Å | ||
| 66 | Q | 96.4 | Very high | 93 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -37.7 | -176.2 | -177 | 179.2 | 18.1 | 0 | 0 | 112.8 | K68 | Q66-K68 PolarHBondContact O-N 2.93Š|
| 67 | Q | 96.7 | Very high | 94.1 | Very high | 115 Ų | 115 | 35.6 Ų | 35.6 | 54% | 0.537 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.6 | 179.8 | -63 | 72.2 | 20.9 | 0 | 0 | 112.5 | N65 T69 | N65-Q67 VanDerWaalsContact C-N 3.26Å; N65-Q67 PolarHBondContact ND2-OE1 3.1Å; N65-Q67 PolarHBondContact O-N 2.9Å; Q67-T69 HydrophobicContact CB-CG2 4.08Å; Q67-T69 PolarHBondContact O-N 2.69Å |
| 68 | K | 96.7 | Very high | 95.1 | Very high | 144 Ų | 144 | 28 Ų | 28 | 63% | 0.626 | 15% | 0.147 | S | C | * | . | S | Bend | trans | 56.3 | 30.9 | -173.4 | -56.1 | -173.7 | 174.1 | -173.6 | 0 | 113.9 | Y64 N65 Q66 | Y64-K68 HydrophobicContact CD1-CB 4.28Å; Y64-K68 HydrophobicContact CD1-CG 4.44Å; Y64-K68 HydrophobicContact CG-CG 4.45Å; N65-K68 PolarHBondContact O-N 3.04Å; N65-K68 VanDerWaalsContact OD1-CA 3.29Å; N65-K68 WeakPolarHBondContact OD1-CA 3.45Å; N65-K68 PolarHBondContact OD1-N 2.69Å; Q66-K68 PolarHBondContact O-N 2.93Å |
| 69 | T | 98 | Very high | 96 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 14% | 0.135 | 13% | 0.132 | C | C | . | . | trans | -94.5 | -24 | 174.3 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | N65 Q67 S129 E130 | N65-T69 PolarHBondContact ND2-OG1 2.96Å; N65-T69 PolarHBondContact OD1-N 2.94Å; Q67-T69 HydrophobicContact CB-CG2 4.08Å; Q67-T69 PolarHBondContact O-N 2.69Å; T69-S129 VanDerWaalsContact CA-OG 3.29Å; T69-S129 WeakPolarHBondContact CA-OG 3.46Å; T69-S129 PolarHBondContact O-N 3.42Å; T69-S129 PolarHBondContact O-OG 3.31Å; T69-E130 VanDerWaalsContact CB-OE2 3.22Å; T69-E130 WeakPolarHBondContact CB-OE2 3.25Å; T69-E130 HydrophobicContact CG2-CG 3.76Å; T69-E130 PolarHBondContact OG1-OE2 3.16Å | ||
| 70 | H | 98.5 | Very high | 96.9 | Very high | 14 Ų | 14 | 27.6 Ų | 27.6 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128 | 173.1 | -56.5 | 156.5 | 0 | 0 | 0 | 109.4 | Y64 N65 L104 Y107 Y127 D128 E130 | Y64-H70 WeakPolarHBondContact CA-O 3.37Å; N65-H70 HydrophobicContact CB-CB 4.19Å; N65-H70 PolarHBondContact N-O 3.24Å; N65-H70 VanDerWaalsContact N-O 3.16Å; N65-H70 PolarHBondContact ND2-ND1 3.27Å; N65-H70 PolarHBondContact OD1-N 2.94Å; H70-L104 HydrophobicContact CB-CD2 3.65Å; H70-Y107 AromaticContact CE1-CD1 3.96Å; H70-Y107 AromaticContact CE1-CE1 3.79Å; H70-Y107 AromaticContact ND1-CD1 3.87Å; H70-Y107 AromaticContact NE2-CE1 3.75Å; H70-Y127 CarbonylContact C-O 3.42Å; H70-Y127 WeakPolarHBondContact CA-O 3.44Å; H70-D128 IonicContact CD2-OD1 3.47Å; H70-D128 IonicContact CD2-OD2 3.93Å; H70-D128 IonicContact NE2-OD1 3.37Å; H70-D128 IonicContact NE2-OD2 3.75Å; H70-D128 PolarHBondContact NE2-OD2 2.71Å; H70-E130 IonicContact NE2-OE2 2.88Å |
| 71 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.5 | -177.7 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | Y39 L46 P62 L63 Y64 L126 Y127 | Y39-V71 HydrophobicContact CD1-CB 4.4Å; Y39-V71 HydrophobicContact CD1-CG1 4.11Å; Y39-V71 HydrophobicContact CD1-CG2 4.21Å; Y39-V71 HydrophobicContact CD2-CG1 4.15Å; Y39-V71 HydrophobicContact CD2-CG2 3.82Å; Y39-V71 HydrophobicContact CE1-CG2 4.13Å; Y39-V71 HydrophobicContact CE2-CG2 3.72Å; Y39-V71 HydrophobicContact CG-CB 4.35Å; Y39-V71 HydrophobicContact CG-CG1 3.73Å; Y39-V71 HydrophobicContact CG-CG2 4.05Å; L46-V71 HydrophobicContact CD1-CB 4.1Å; L46-V71 HydrophobicContact CD1-CG1 3.91Å; P62-V71 HydrophobicContact CB-CG1 3.51Å; P62-V71 HydrophobicContact CG-CG1 4.33Å; L63-V71 CarbonylContact O-C 3.45Å; L63-V71 WeakPolarHBondContact O-CA 3.41Å; Y64-V71 HydrophobicContact CD1-CB 4.4Å; Y64-V71 HydrophobicContact CD1-CG1 4.18Å; Y64-V71 HydrophobicContact CD1-CG2 3.84Å; Y64-V71 HydrophobicContact CE1-CB 4.27Å; Y64-V71 HydrophobicContact CE1-CG1 3.7Å; Y64-V71 HydrophobicContact CE1-CG2 3.73Å; V71-L126 CarbonylContact O-C 3.49Å; V71-L126 VanDerWaalsContact O-CA 3.22Å; V71-L126 WeakPolarHBondContact O-CA 3.44Å; V71-Y127 PolarHBondContact N-O 2.75Å; V71-Y127 PolarHBondContact O-N 3.18Å |
| 72 | L | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.6 | -172.7 | 173 | 70.2 | 0 | 0 | 0 | 111.4 | P62 L63 V74 C100 I103 L104 F124 L126 | P62-L72 CarbonylContact C-O 3.43Å; P62-L72 WeakPolarHBondContact CA-O 3.3Å; P62-L72 WeakPolarHBondContact CB-O 3.46Å; L63-L72 HydrophobicContact CB-CB 4.33Å; L63-L72 HydrophobicContact CD1-CD2 4.28Å; L63-L72 PolarHBondContact N-O 2.95Å; L63-L72 PolarHBondContact O-N 3.46Å; L72-V74 HydrophobicContact CD1-CG2 3.69Å; L72-V74 HydrophobicContact CD2-CG2 3.71Å; L72-V74 HydrophobicContact CG-CG2 3.54Å; L72-C100 WeakPolarHBondContact CD2-O 3.28Å; L72-I103 HydrophobicContact CD1-CG2 3.78Å; L72-I103 HydrophobicContact CD2-CB 3.66Å; L72-I103 HydrophobicContact CD2-CD1 4.36Å; L72-I103 HydrophobicContact CD2-CG2 3.8Å; L72-I103 HydrophobicContact CG-CG2 4.46Å; L72-L104 HydrophobicContact CB-CD1 4.36Å; L72-L104 HydrophobicContact CB-CD2 3.87Å; L72-L104 HydrophobicContact CB-CG 4.06Å; L72-L104 HydrophobicContact CD2-CD1 4.47Å; L72-L104 HydrophobicContact CD2-CG 3.95Å; L72-F124 HydrophobicContact CD1-CB 3.99Å; L72-F124 HydrophobicContact CD1-CD2 3.84Å; L72-F124 HydrophobicContact CD1-CG 4.17Å; L72-L126 HydrophobicContact CD1-CB 4.03Å; L72-L126 HydrophobicContact CD1-CD1 4.39Å |
| 73 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | I4 L46 F124 A125 | I4-A73 HydrophobicContact CB-CB 4.3Å; I4-A73 HydrophobicContact CG2-CB 3.73Å; L46-A73 HydrophobicContact CB-CB 4.45Å; A73-F124 CarbonylContact O-C 3.52Å; A73-F124 WeakPolarHBondContact O-CA 3.19Å; A73-F124 WeakPolarHBondContact O-CB 3.25Å; A73-A125 PolarHBondContact N-O 3.22Å; A73-A125 PolarHBondContact O-N 3.28Å |
| 74 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.1 | -175.7 | -166.7 | 0 | 0 | 0 | 0 | 110.7 | H48 Q61 L72 C100 I103 F122 F124 | H48-V74 PolarHBondContact CD2-O 3.1Å; H48-V74 PolarHBondContact NE2-O 3.2Å; Q61-V74 PolarHBondContact OE1-O 3.02Å; L72-V74 HydrophobicContact CD1-CG2 3.69Å; L72-V74 HydrophobicContact CD2-CG2 3.71Å; L72-V74 HydrophobicContact CG-CG2 3.54Å; V74-C100 HydrophobicContact CB-CB 4.06Å; V74-C100 HydrophobicContact CG1-CB 4.38Å; V74-C100 VanDerWaalsContact CG1-SG 3.51Å; V74-C100 HydrophobicContact CG2-CB 3.82Å; V74-I103 HydrophobicContact CG1-CD1 4.34Å; V74-I103 HydrophobicContact CG2-CD1 3.94Å; V74-F122 HydrophobicContact CG1-CB 4.35Å; V74-F124 HydrophobicContact CB-CB 4.25Å; V74-F124 HydrophobicContact CG1-CB 4.12Å; V74-F124 HydrophobicContact CG2-CB 3.85Å |
| 75 | N | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 106.7 | 161.1 | 175.7 | 11.1 | 0 | 0 | 0 | 107.3 | M1 C2 I4 F122 A123 I144 S160 | M1-N75 WeakPolarHBondContact CG-OD1 3.18Å; M1-N75 PolarHBondContact SD-OD1 3.01Å; C2-N75 HydrophobicContact CB-CB 4.45Å; C2-N75 PolarHBondContact O-ND2 2.92Å; C2-N75 PolarHBondContact O-OD1 3.15Å; C2-N75 VanDerWaalsContact O-OD1 3.06Å; I4-N75 HydrophobicContact CG2-CB 4.21Å; N75-F122 CarbonylContact O-C 3.6Å; N75-F122 WeakPolarHBondContact O-CA 3.5Å; N75-A123 PolarHBondContact N-O 3.36Å; N75-A123 PolarHBondContact O-N 3.41Å; N75-I144 HydrophobicContact CB-CG2 3.98Å; N75-I144 VanDerWaalsContact CG-CG2 3.42Å; N75-I144 WeakPolarHBondContact ND2-CG2 3.24Å; N75-I144 WeakPolarHBondContact O-CG2 3.34Å; N75-S160 PolarHBondContact ND2-OG 3Å |
| 76 | G | 96.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 36 Ų | 36 | 7% | 0.072 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.4 | -172.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M121 | G76-M121 CarbonylContact C-O 3.49Å; G76-M121 WeakPolarHBondContact CA-O 3.48Å |
| 77 | E | 96.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 130.7 | 177.3 | -68.6 | -73.5 | -171.5 | 0 | 0 | 109.5 | Y79 D99 G120 M121 M225 E399 R401 | E77-Y79 HydrophobicContact CB-CD1 4.36Å; E77-Y79 HydrophobicContact CB-CE1 3.73Å; E77-D99 WeakPolarHBondContact CA-OD2 3.45Å; E77-G120 WeakPolarHBondContact O-CA 3.42Å; E77-M121 HydrophobicContact CB-CE 4.24Å; E77-M121 HydrophobicContact CG-CE 4.01Å; E77-M121 PolarHBondContact N-O 3.3Å; E77-M121 PolarHBondContact O-N 3.13Å; E77-M121 VanDerWaalsContact O-N 3.12Å; E77-M225 HydrophobicContact CB-CE 4.39Å; E77-M225 WeakPolarHBondContact OE2-CE 3.36Å; E77-E399 WeakPolarHBondContact CG-OE1 3.46Å; E77-R401 IonicContact OE1-CZ 3.26Å; E77-R401 IonicContact OE1-NH2 3.99Å; E77-R401 PolarHBondContact OE1-NH2 3.46Å; E77-R401 IonicContact OE2-NH2 2.83Å |
| 78 | I | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 96.4 | 177.1 | -51.1 | -56.2 | 0 | 0 | 0 | 109.8 | N80 H81 L84 D99 V102 I103 L118 Q119 F122 | I78-N80 VanDerWaalsContact C-N 3.31Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.28Å; I78-N80 PolarHBondContact O-N 3.31Å; I78-H81 HydrophobicContact CB-CB 4.41Å; I78-H81 HydrophobicContact CG2-CB 4.33Å; I78-H81 VanDerWaalsContact O-CB 3.31Å; I78-H81 WeakPolarHBondContact O-CB 3.45Å; I78-H81 PolarHBondContact O-CD2 3.4Å; I78-H81 VanDerWaalsContact O-CD2 3.3Å; I78-H81 PolarHBondContact O-N 3.27Å; I78-H81 VanDerWaalsContact O-N 3.16Å; I78-L84 HydrophobicContact CG2-CD1 4.28Å; I78-D99 HydrophobicContact CB-CB 4.47Å; I78-D99 PolarHBondContact N-OD2 3.23Å; I78-V102 HydrophobicContact CB-CG2 4.47Å; I78-V102 HydrophobicContact CG2-CG2 3.92Å; I78-I103 HydrophobicContact CD1-CD1 4.3Å; I78-I103 HydrophobicContact CG1-CD1 4.32Å; I78-L118 HydrophobicContact CD1-CB 4.5Å; I78-L118 HydrophobicContact CD1-CD1 4.26Å; I78-L118 HydrophobicContact CD1-CD2 4.31Å; I78-L118 HydrophobicContact CG2-CD2 3.97Å; I78-Q119 CarbonylContact C-O 3.49Å; I78-F122 HydrophobicContact CD1-CB 4.1Å; I78-F122 HydrophobicContact CD1-CD1 3.76Å; I78-F122 HydrophobicContact CD1-CG 4.18Å |
| 79 | Y | 97.1 | Very high | 97.4 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 9% | 0.09 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24.9 | -173.8 | -54.1 | -52.7 | 0 | 0 | 0 | 114.3 | E77 Q119 H223 M225 | E77-Y79 HydrophobicContact CB-CD1 4.36Å; E77-Y79 HydrophobicContact CB-CE1 3.73Å; Y79-Q119 PolarHBondContact N-O 3.44Å; Y79-H223 AromaticContact CD2-CE1 3.57Å; Y79-H223 AromaticContact CD2-ND1 3.98Å; Y79-H223 AromaticContact CE2-CD2 3.71Å; Y79-H223 AromaticContact CE2-CE1 3.18Å; Y79-H223 WeakPolarHBondContact CE2-CE1 3.4Å; Y79-H223 AromaticContact CE2-ND1 3.75Å; Y79-H223 AromaticContact CE2-NE2 3.15Å; Y79-H223 WeakPolarHBondContact CE2-NE2 3.31Å; Y79-H223 AromaticContact CZ-CD2 3.45Å; Y79-H223 VanDerWaalsContact CZ-CD2 3.45Å; Y79-H223 AromaticContact CZ-CE1 3.72Å; Y79-H223 AromaticContact CZ-CG 3.77Å; Y79-H223 AromaticContact CZ-ND1 3.93Å; Y79-H223 AromaticContact CZ-NE2 3.44Å; Y79-H223 PolarHBondContact OH-CD2 2.79Å; Y79-H223 PolarHBondContact OH-NE2 2.59Å; Y79-M225 HydrophobicContact CD1-CE 4.26Å |
| 80 | N | 97 | Very high | 97.3 | Very high | 18 Ų | 18 | 31.4 Ų | 31.4 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 15.1 | 175.1 | 68.1 | -29.2 | 0 | 0 | 0 | 114.2 | I78 Q82 A83 L84 D117 Q119 | I78-N80 VanDerWaalsContact C-N 3.31Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.28Å; I78-N80 PolarHBondContact O-N 3.31Å; N80-Q82 VanDerWaalsContact C-N 3.26Å; N80-Q82 PolarHBondContact O-N 3.03Å; N80-A83 PolarHBondContact O-N 2.75Å; N80-A83 VanDerWaalsContact O-N 3.11Å; N80-L84 WeakPolarHBondContact O-CG 3.35Å; N80-L84 PolarHBondContact O-N 3.11Å; N80-L84 VanDerWaalsContact O-N 3.09Å; N80-D117 PolarHBondContact ND2-O 3.08Å; N80-Q119 HydrophobicContact CB-CB 3.96Å; N80-Q119 HydrophobicContact CB-CG 4.32Å; N80-Q119 PolarHBondContact OD1-N 3.43Å; N80-Q119 PolarHBondContact OD1-O 3.49Å |
| 81 | H | 96.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -33.7 | -175.5 | 79.3 | 99.7 | 0 | 0 | 0 | 113.8 | I78 L84 R85 D99 V102 M225 | I78-H81 HydrophobicContact CB-CB 4.41Å; I78-H81 HydrophobicContact CG2-CB 4.33Å; I78-H81 VanDerWaalsContact O-CB 3.31Å; I78-H81 WeakPolarHBondContact O-CB 3.45Å; I78-H81 PolarHBondContact O-CD2 3.4Å; I78-H81 VanDerWaalsContact O-CD2 3.3Å; I78-H81 PolarHBondContact O-N 3.27Å; I78-H81 VanDerWaalsContact O-N 3.16Å; H81-L84 PolarHBondContact O-N 3.11Å; H81-R85 WeakPolarHBondContact O-CB 3.36Å; H81-R85 VanDerWaalsContact O-CG 3.23Å; H81-R85 WeakPolarHBondContact O-CG 3.4Å; H81-R85 PolarHBondContact O-N 3.22Å; H81-D99 HydrophobicContact CB-CB 4Å; H81-D99 WeakPolarHBondContact CB-O 3.37Å; H81-V102 HydrophobicContact CB-CG1 3.95Å; H81-V102 HydrophobicContact CB-CG2 4.29Å; H81-M225 PolarHBondContact CD2-SD 3.45Å; H81-M225 PolarHBondContact NE2-SD 3.4Å |
| 82 | Q | 95.1 | Very high | 97.2 | Very high | 93 Ų | 93 | 36.3 Ų | 36.3 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67 | -41.1 | 178.5 | -62.8 | -170.7 | -25.7 | 0 | 0 | 112 | N80 R85 A86 E256 | N80-Q82 VanDerWaalsContact C-N 3.26Å; N80-Q82 PolarHBondContact O-N 3.03Å; Q82-R85 PolarHBondContact O-N 2.85Å; Q82-A86 PolarHBondContact O-N 3.3Å; Q82-E256 PolarHBondContact NE2-O 3.09Å |
| 83 | A | 96.8 | Very high | 97 | Very high | 61 Ų | 61 | 42 Ų | 42 | 50% | 0.504 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N80 R85 A86 E87 | N80-A83 PolarHBondContact O-N 2.75Å; N80-A83 VanDerWaalsContact O-N 3.11Å; A83-R85 PolarHBondContact O-N 3.37Å; A83-A86 PolarHBondContact O-N 3.31Å; A83-E87 PolarHBondContact O-N 3.26Å |
| 84 | L | 98.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.9 | -65.5 | 170.8 | 0 | 0 | 0 | 111.7 | I78 N80 H81 A86 E87 Y88 V102 L106 L118 | I78-L84 HydrophobicContact CG2-CD1 4.28Å; N80-L84 WeakPolarHBondContact O-CG 3.35Å; N80-L84 PolarHBondContact O-N 3.11Å; N80-L84 VanDerWaalsContact O-N 3.09Å; H81-L84 PolarHBondContact O-N 3.11Å; L84-A86 VanDerWaalsContact C-N 3.3Å; L84-A86 PolarHBondContact O-N 3.05Å; L84-E87 PolarHBondContact O-N 3.37Å; L84-Y88 HydrophobicContact CB-CD2 4.47Å; L84-Y88 HydrophobicContact CD2-CD2 4.43Å; L84-Y88 HydrophobicContact CD2-CE2 3.93Å; L84-Y88 VanDerWaalsContact O-CD2 3.25Å; L84-Y88 WeakPolarHBondContact O-CD2 3.28Å; L84-Y88 PolarHBondContact O-N 3.19Å; L84-V102 HydrophobicContact CB-CB 4.04Å; L84-V102 HydrophobicContact CB-CG1 4.03Å; L84-V102 HydrophobicContact CB-CG2 4.48Å; L84-V102 HydrophobicContact CD1-CB 4.1Å; L84-V102 HydrophobicContact CD1-CG2 3.68Å; L84-L106 HydrophobicContact CD1-CD1 3.99Å; L84-L106 HydrophobicContact CD2-CD1 4.28Å; L84-L106 HydrophobicContact CD2-CD2 4.26Å; L84-L118 HydrophobicContact CD1-CD2 4.16Å |
| 85 | R | 97.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 49 Ų | 49 | 18% | 0.181 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -39 | 174.5 | -78.1 | 170.4 | 177.6 | -91.1 | 1.6 | 112.1 | H81 Q82 A83 G89 F94 T96 S98 E101 V102 | H81-R85 WeakPolarHBondContact O-CB 3.36Å; H81-R85 VanDerWaalsContact O-CG 3.23Å; H81-R85 WeakPolarHBondContact O-CG 3.4Å; H81-R85 PolarHBondContact O-N 3.22Å; Q82-R85 PolarHBondContact O-N 2.85Å; A83-R85 PolarHBondContact O-N 3.37Å; R85-G89 VanDerWaalsContact O-CA 3.28Å; R85-G89 WeakPolarHBondContact O-CA 3.45Å; R85-G89 PolarHBondContact O-N 3.22Å; R85-F94 HydrophobicContact CB-CE2 4.2Å; R85-F94 HydrophobicContact CB-CZ 4.31Å; R85-F94 HydrophobicContact CG-CD1 4.23Å; R85-F94 HydrophobicContact CG-CD2 4.3Å; R85-F94 HydrophobicContact CG-CE1 3.85Å; R85-F94 HydrophobicContact CG-CE2 3.92Å; R85-F94 HydrophobicContact CG-CG 4.45Å; R85-F94 HydrophobicContact CG-CZ 3.69Å; R85-T96 VanDerWaalsContact CZ-O 3.32Å; R85-T96 PolarHBondContact NH1-O 2.79Å; R85-T96 PolarHBondContact NH2-O 2.97Å; R85-S98 PolarHBondContact NH2-O 3.11Å; R85-E101 IonicContact NH1-OE2 2.68Å; R85-E101 IonicContact NH2-OE2 2.76Å; R85-E101 PolarHBondContact NH2-OE2 2.8Å; R85-V102 HydrophobicContact CG-CG1 3.7Å |
| 86 | A | 97.3 | Very high | 96.5 | Very high | 87 Ų | 87 | 50.4 Ų | 50.4 | 72% | 0.719 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68 | -36.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q82 A83 L84 | Q82-A86 PolarHBondContact O-N 3.3Å; A83-A86 PolarHBondContact O-N 3.31Å; L84-A86 VanDerWaalsContact C-N 3.3Å; L84-A86 PolarHBondContact O-N 3.05Å |
| 87 | E | 97.8 | Very high | 96.2 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 47% | 0.467 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -74 | -37.4 | -179.4 | -172.6 | -178.6 | 152.2 | 0 | 0 | 113.5 | A83 L84 R91 | A83-E87 PolarHBondContact O-N 3.26Å; L84-E87 PolarHBondContact O-N 3.37Å; E87-R91 PolarHBondContact O-NH2 3.49Å |
| 88 | Y | 97.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -109.3 | -2.9 | -173.7 | -62.8 | -76 | 0 | 0 | 0 | 114.3 | L84 D90 R91 Y92 L106 E109 K110 | L84-Y88 HydrophobicContact CB-CD2 4.47Å; L84-Y88 HydrophobicContact CD2-CD2 4.43Å; L84-Y88 HydrophobicContact CD2-CE2 3.93Å; L84-Y88 VanDerWaalsContact O-CD2 3.25Å; L84-Y88 WeakPolarHBondContact O-CD2 3.28Å; L84-Y88 PolarHBondContact O-N 3.19Å; Y88-D90 PolarHBondContact O-N 3.29Å; Y88-D90 VanDerWaalsContact O-N 3.11Å; Y88-R91 PolarHBondContact O-N 3.2Å; Y88-Y92 PolarHBondContact O-N 3.01Å; Y88-L106 HydrophobicContact CD2-CD2 4.26Å; Y88-L106 HydrophobicContact CE2-CD2 3.54Å; Y88-L106 HydrophobicContact CE2-CG 4.45Å; Y88-E109 HydrophobicContact CD1-CG 4.48Å; Y88-E109 HydrophobicContact CE1-CB 4.22Å; Y88-E109 HydrophobicContact CE1-CG 3.93Å; Y88-K110 VanDerWaalsContact OH-CE 3.31Å; Y88-K110 WeakPolarHBondContact OH-CE 3.46Å; Y88-K110 PolarHBondContact OH-NZ 3.13Å |
| 89 | G | 95.8 | Very high | 96 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R85 | R85-G89 VanDerWaalsContact O-CA 3.28Å; R85-G89 WeakPolarHBondContact O-CA 3.45Å; R85-G89 PolarHBondContact O-N 3.22Å |
| 90 | D | 96.2 | Very high | 95.9 | Very high | 129 Ų | 129 | 50.8 Ų | 50.8 | 69% | 0.69 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -18.3 | 173.1 | 66.4 | -26.8 | 0 | 0 | 0 | 113.5 | Y88 | Y88-D90 PolarHBondContact O-N 3.29Å; Y88-D90 VanDerWaalsContact O-N 3.11Å |
| 91 | R | 96.2 | Very high | 95.9 | Very high | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -20.7 | -175.2 | -71.5 | 170.1 | -77 | 177.6 | -1.2 | 113.7 | E87 Y88 Q108 E109 | E87-R91 PolarHBondContact O-NH2 3.49Å; Y88-R91 PolarHBondContact O-N 3.2Å; R91-Q108 PolarHBondContact O-NE2 3.26Å; R91-E109 IonicContact CZ-OE1 3.93Å; R91-E109 IonicContact NH1-OE1 3.16Å; R91-E109 PolarHBondContact NH1-OE1 3.02Å |
| 92 | Y | 97.8 | Very high | 96 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -125.8 | 126 | 178.3 | -173.8 | -90.9 | 0 | 0 | 0 | 111.4 | N65 Y88 F94 E101 L104 A105 | N65-Y92 WeakPolarHBondContact CA-OH 3.48Å; N65-Y92 HydrophobicContact CB-CE2 4.24Å; Y88-Y92 PolarHBondContact O-N 3.01Å; Y92-F94 AromaticContact CD1-CD1 3.66Å; Y92-F94 HydrophobicContact CD1-CD1 3.66Å; Y92-F94 HydrophobicContact CD1-CD2 4.04Å; Y92-F94 AromaticContact CD1-CE1 3.67Å; Y92-F94 HydrophobicContact CD1-CE1 3.67Å; Y92-F94 HydrophobicContact CD1-CE2 4.06Å; Y92-F94 AromaticContact CD1-CG 3.84Å; Y92-F94 HydrophobicContact CD1-CG 3.84Å; Y92-F94 AromaticContact CD1-CZ 3.87Å; Y92-F94 HydrophobicContact CD1-CZ 3.87Å; Y92-F94 AromaticContact CE1-CD1 3.75Å; Y92-F94 HydrophobicContact CE1-CD1 3.75Å; Y92-F94 AromaticContact CE1-CE1 3.98Å; Y92-F94 HydrophobicContact CE1-CE1 3.98Å; Y92-F94 HydrophobicContact CE1-CG 4.2Å; Y92-F94 WeakPolarHBondContact O-CD2 3.44Å; Y92-F94 PolarHBondContact O-N 3.07Å; Y92-E101 HydrophobicContact CE1-CG 4.2Å; Y92-L104 HydrophobicContact CE2-CB 4.01Å; Y92-L104 WeakPolarHBondContact OH-CB 3.22Å; Y92-L104 WeakPolarHBondContact OH-CD1 3.47Å; Y92-A105 HydrophobicContact CD1-CB 3.75Å; Y92-A105 HydrophobicContact CD2-CB 3.86Å; Y92-A105 HydrophobicContact CE1-CB 4.35Å; Y92-A105 HydrophobicContact CE2-CB 4.43Å; Y92-A105 HydrophobicContact CG-CB 3.46Å; Y92-A105 VanDerWaalsContact CG-CB 3.46Å |
| 93 | Q | 95.9 | Very high | 96.2 | Very high | 121 Ų | 121 | 44.8 Ų | 44.8 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | trans | -87.2 | 88.7 | -178.8 | -162.8 | 170.4 | 7.3 | 0 | 0 | 110.8 | ||||
| 94 | F | 96.1 | Very high | 96.3 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | trans | -60 | 137 | 177.2 | -66.4 | -79.7 | 0 | 0 | 0 | 112.6 | R85 Y92 E101 V102 A105 | R85-F94 HydrophobicContact CB-CE2 4.2Å; R85-F94 HydrophobicContact CB-CZ 4.31Å; R85-F94 HydrophobicContact CG-CD1 4.23Å; R85-F94 HydrophobicContact CG-CD2 4.3Å; R85-F94 HydrophobicContact CG-CE1 3.85Å; R85-F94 HydrophobicContact CG-CE2 3.92Å; R85-F94 HydrophobicContact CG-CG 4.45Å; R85-F94 HydrophobicContact CG-CZ 3.69Å; Y92-F94 AromaticContact CD1-CD1 3.66Å; Y92-F94 HydrophobicContact CD1-CD1 3.66Å; Y92-F94 HydrophobicContact CD1-CD2 4.04Å; Y92-F94 AromaticContact CD1-CE1 3.67Å; Y92-F94 HydrophobicContact CD1-CE1 3.67Å; Y92-F94 HydrophobicContact CD1-CE2 4.06Å; Y92-F94 AromaticContact CD1-CG 3.84Å; Y92-F94 HydrophobicContact CD1-CG 3.84Å; Y92-F94 AromaticContact CD1-CZ 3.87Å; Y92-F94 HydrophobicContact CD1-CZ 3.87Å; Y92-F94 AromaticContact CE1-CD1 3.75Å; Y92-F94 HydrophobicContact CE1-CD1 3.75Å; Y92-F94 AromaticContact CE1-CE1 3.98Å; Y92-F94 HydrophobicContact CE1-CE1 3.98Å; Y92-F94 HydrophobicContact CE1-CG 4.2Å; Y92-F94 WeakPolarHBondContact O-CD2 3.44Å; Y92-F94 PolarHBondContact O-N 3.07Å; F94-E101 WeakPolarHBondContact CA-OE1 3.46Å; F94-E101 HydrophobicContact CD1-CB 4.36Å; F94-E101 HydrophobicContact CD1-CG 4Å; F94-V102 HydrophobicContact CE1-CG1 3.93Å; F94-V102 HydrophobicContact CZ-CG1 4.25Å; F94-A105 HydrophobicContact CE1-CB 4.11Å; F94-A105 HydrophobicContact CZ-CB 3.86Å | ||
| 95 | Q | 93.8 | Very high | 96.3 | Very high | 98 Ų | 98 | 41.8 Ų | 41.8 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | trans | -112.7 | -18.7 | -175.7 | -62.2 | 178 | 93.6 | 0 | 0 | 112.9 | Y64 N65 E101 | Y64-Q95 PolarHBondContact O-NE2 3.28Å; N65-Q95 PolarHBondContact O-NE2 2.8Å; Q95-E101 PolarHBondContact N-OE1 3.36Å; Q95-E101 PolarHBondContact N-OE2 3.21Å | ||
| 96 | T | 93.1 | Very high | 96.3 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | trans | -130.7 | 169 | -177 | 78.1 | 0 | 0 | 0 | 0 | 111.4 | L63 R85 S98 E101 | L63-T96 HydrophobicContact CD2-CG2 4.05Å; R85-T96 VanDerWaalsContact CZ-O 3.32Å; R85-T96 PolarHBondContact NH1-O 2.79Å; R85-T96 PolarHBondContact NH2-O 2.97Å; T96-S98 WeakPolarHBondContact OG1-CB 3.49Å; T96-S98 PolarHBondContact OG1-N 3.06Å; T96-E101 WeakPolarHBondContact CA-OE2 3.49Å; T96-E101 WeakPolarHBondContact CB-OE2 3.44Å; T96-E101 PolarHBondContact N-OE2 3.31Å; T96-E101 VanDerWaalsContact O-OE2 3.07Å; T96-E101 PolarHBondContact OG1-OE2 3.39Å | ||
| 97 | G | 90.7 | Very high | 96.4 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 37% | 0.371 | 19% | 0.188 | S | C | . | . | trans | -89.5 | -1.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D55 D99 | D55-G97 WeakPolarHBondContact OD2-CA 3.2Å; D55-G97 PolarHBondContact OD2-N 2.93Å; G97-D99 PolarHBondContact O-N 2.72Å | ||
| 98 | S | 94 | Very high | 96.4 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | trans | -60 | 128.4 | -178.5 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | D55 R85 T96 C100 E101 | D55-S98 PolarHBondContact OD2-N 3.5Å; R85-S98 PolarHBondContact NH2-O 3.11Å; T96-S98 WeakPolarHBondContact OG1-CB 3.49Å; T96-S98 PolarHBondContact OG1-N 3.06Å; S98-C100 PolarHBondContact O-N 3.14Å; S98-C100 PolarHBondContact OG-N 3.06Å; S98-E101 PolarHBondContact O-N 3.35Å | ||
| 99 | D | 94.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -49.3 | -37.8 | 170.8 | 67.3 | -57.9 | 0 | 0 | 0 | 112.4 | E77 I78 H81 G97 E101 V102 M225 | E77-D99 WeakPolarHBondContact CA-OD2 3.45Å; I78-D99 HydrophobicContact CB-CB 4.47Å; I78-D99 PolarHBondContact N-OD2 3.23Å; H81-D99 HydrophobicContact CB-CB 4Å; H81-D99 WeakPolarHBondContact CB-O 3.37Å; G97-D99 PolarHBondContact O-N 2.72Å; D99-E101 PolarHBondContact O-N 2.88Å; D99-V102 VanDerWaalsContact O-CG2 3.23Å; D99-V102 WeakPolarHBondContact O-CG2 3.42Å; D99-M225 HydrophobicContact CB-CE 3.81Å; D99-M225 HydrophobicContact CB-SD 4.46Å |
| 100 | C | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -72.5 | -19.1 | -176 | -70.4 | 0 | 0 | 0 | 0 | 115.1 | L63 L72 V74 S98 V102 I103 | L63-C100 HydrophobicContact CD1-CB 3.89Å; L72-C100 WeakPolarHBondContact CD2-O 3.28Å; V74-C100 HydrophobicContact CB-CB 4.06Å; V74-C100 HydrophobicContact CG1-CB 4.38Å; V74-C100 VanDerWaalsContact CG1-SG 3.51Å; V74-C100 HydrophobicContact CG2-CB 3.82Å; S98-C100 PolarHBondContact O-N 3.14Å; S98-C100 PolarHBondContact OG-N 3.06Å; C100-V102 PolarHBondContact O-N 3.36Å; C100-I103 WeakPolarHBondContact O-CB 3.5Å; C100-I103 PolarHBondContact O-N 3.2Å; C100-I103 VanDerWaalsContact O-N 3.16Å |
| 101 | E | 97 | Very high | 96.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -63.5 | -25 | -177.1 | -168.6 | -178.8 | 177.6 | 0 | 0 | 112.7 | L63 R85 Y92 F94 Q95 T96 S98 D99 I103 L104 | L63-E101 HydrophobicContact CD1-CB 4.2Å; R85-E101 IonicContact NH1-OE2 2.68Å; R85-E101 IonicContact NH2-OE2 2.76Å; R85-E101 PolarHBondContact NH2-OE2 2.8Å; Y92-E101 HydrophobicContact CE1-CG 4.2Å; F94-E101 WeakPolarHBondContact CA-OE1 3.46Å; F94-E101 HydrophobicContact CD1-CB 4.36Å; F94-E101 HydrophobicContact CD1-CG 4Å; Q95-E101 PolarHBondContact N-OE1 3.36Å; Q95-E101 PolarHBondContact N-OE2 3.21Å; T96-E101 WeakPolarHBondContact CA-OE2 3.49Å; T96-E101 WeakPolarHBondContact CB-OE2 3.44Å; T96-E101 PolarHBondContact N-OE2 3.31Å; T96-E101 VanDerWaalsContact O-OE2 3.07Å; T96-E101 PolarHBondContact OG1-OE2 3.39Å; S98-E101 PolarHBondContact O-N 3.35Å; D99-E101 PolarHBondContact O-N 2.88Å; E101-I103 PolarHBondContact O-N 3.26Å; E101-I103 VanDerWaalsContact O-N 3.09Å; E101-L104 HydrophobicContact CG-CD1 4.34Å; E101-L104 WeakPolarHBondContact O-CB 3.49Å; E101-L104 PolarHBondContact O-N 2.96Å |
| 102 | V | 97.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.3 | -22.4 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 113.4 | I78 H81 L84 R85 F94 D99 C100 L104 A105 L106 | I78-V102 HydrophobicContact CB-CG2 4.47Å; I78-V102 HydrophobicContact CG2-CG2 3.92Å; H81-V102 HydrophobicContact CB-CG1 3.95Å; H81-V102 HydrophobicContact CB-CG2 4.29Å; L84-V102 HydrophobicContact CB-CB 4.04Å; L84-V102 HydrophobicContact CB-CG1 4.03Å; L84-V102 HydrophobicContact CB-CG2 4.48Å; L84-V102 HydrophobicContact CD1-CB 4.1Å; L84-V102 HydrophobicContact CD1-CG2 3.68Å; R85-V102 HydrophobicContact CG-CG1 3.7Å; F94-V102 HydrophobicContact CE1-CG1 3.93Å; F94-V102 HydrophobicContact CZ-CG1 4.25Å; D99-V102 VanDerWaalsContact O-CG2 3.23Å; D99-V102 WeakPolarHBondContact O-CG2 3.42Å; C100-V102 PolarHBondContact O-N 3.36Å; V102-L104 VanDerWaalsContact C-N 3.29Å; V102-L104 PolarHBondContact O-N 3.3Å; V102-A105 WeakPolarHBondContact O-CB 3.29Å; V102-A105 PolarHBondContact O-N 3.49Å; V102-L106 WeakPolarHBondContact O-CB 3.41Å; V102-L106 WeakPolarHBondContact O-CG 3.16Å; V102-L106 PolarHBondContact O-N 3.1Å |
| 103 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63 | -37.2 | 173.8 | -68 | 167.8 | 0 | 0 | 0 | 110.8 | L72 V74 I78 C100 E101 L106 Y107 F114 L118 F124 | L72-I103 HydrophobicContact CD1-CG2 3.78Å; L72-I103 HydrophobicContact CD2-CB 3.66Å; L72-I103 HydrophobicContact CD2-CD1 4.36Å; L72-I103 HydrophobicContact CD2-CG2 3.8Å; L72-I103 HydrophobicContact CG-CG2 4.46Å; V74-I103 HydrophobicContact CG1-CD1 4.34Å; V74-I103 HydrophobicContact CG2-CD1 3.94Å; I78-I103 HydrophobicContact CD1-CD1 4.3Å; I78-I103 HydrophobicContact CG1-CD1 4.32Å; C100-I103 WeakPolarHBondContact O-CB 3.5Å; C100-I103 PolarHBondContact O-N 3.2Å; C100-I103 VanDerWaalsContact O-N 3.16Å; E101-I103 PolarHBondContact O-N 3.26Å; E101-I103 VanDerWaalsContact O-N 3.09Å; I103-L106 PolarHBondContact O-N 2.88Å; I103-Y107 VanDerWaalsContact O-CB 3.29Å; I103-Y107 WeakPolarHBondContact O-CB 3.27Å; I103-Y107 PolarHBondContact O-N 2.82Å; I103-F114 HydrophobicContact CB-CE2 4.47Å; I103-F114 HydrophobicContact CG1-CE2 4.48Å; I103-F114 HydrophobicContact CG2-CE2 3.93Å; I103-F114 HydrophobicContact CG2-CZ 3.76Å; I103-L118 HydrophobicContact CD1-CD1 4.41Å; I103-L118 HydrophobicContact CG1-CD1 4.12Å; I103-L118 HydrophobicContact CG1-CD2 4.17Å; I103-F124 HydrophobicContact CD1-CD1 4.22Å; I103-F124 HydrophobicContact CG2-CD2 4.46Å; I103-F124 HydrophobicContact CG2-CE2 4.36Å; I103-F124 HydrophobicContact CG2-CZ 4.45Å |
| 104 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 175.9 | -69 | 166.2 | 0 | 0 | 0 | 111.7 | L63 Y64 H70 L72 Y92 E101 V102 Q108 L126 | L63-L104 HydrophobicContact CB-CD1 4.01Å; Y64-L104 VanDerWaalsContact C-CD1 3.47Å; H70-L104 HydrophobicContact CB-CD2 3.65Å; L72-L104 HydrophobicContact CB-CD1 4.36Å; L72-L104 HydrophobicContact CB-CD2 3.87Å; L72-L104 HydrophobicContact CB-CG 4.06Å; L72-L104 HydrophobicContact CD2-CD1 4.47Å; L72-L104 HydrophobicContact CD2-CG 3.95Å; Y92-L104 HydrophobicContact CE2-CB 4.01Å; Y92-L104 WeakPolarHBondContact OH-CB 3.22Å; Y92-L104 WeakPolarHBondContact OH-CD1 3.47Å; E101-L104 HydrophobicContact CG-CD1 4.34Å; E101-L104 WeakPolarHBondContact O-CB 3.49Å; E101-L104 PolarHBondContact O-N 2.96Å; V102-L104 VanDerWaalsContact C-N 3.29Å; V102-L104 PolarHBondContact O-N 3.3Å; L104-Q108 WeakPolarHBondContact O-CB 3.3Å; L104-Q108 PolarHBondContact O-N 3.38Å; L104-L126 HydrophobicContact CD2-CD1 3.99Å |
| 105 | A | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y92 F94 V102 Q108 E109 | Y92-A105 HydrophobicContact CD1-CB 3.75Å; Y92-A105 HydrophobicContact CD2-CB 3.86Å; Y92-A105 HydrophobicContact CE1-CB 4.35Å; Y92-A105 HydrophobicContact CE2-CB 4.43Å; Y92-A105 HydrophobicContact CG-CB 3.46Å; Y92-A105 VanDerWaalsContact CG-CB 3.46Å; F94-A105 HydrophobicContact CE1-CB 4.11Å; F94-A105 HydrophobicContact CZ-CB 3.86Å; V102-A105 WeakPolarHBondContact O-CB 3.29Å; V102-A105 PolarHBondContact O-N 3.49Å; A105-Q108 PolarHBondContact O-N 3.46Å; A105-E109 PolarHBondContact O-N 2.9Å; A105-E109 VanDerWaalsContact O-N 3.15Å |
| 106 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 177.2 | -74.7 | 169.2 | 0 | 0 | 0 | 112.2 | L84 Y88 V102 I103 Q108 E109 K110 F114 L118 | L84-L106 HydrophobicContact CD1-CD1 3.99Å; L84-L106 HydrophobicContact CD2-CD1 4.28Å; L84-L106 HydrophobicContact CD2-CD2 4.26Å; Y88-L106 HydrophobicContact CD2-CD2 4.26Å; Y88-L106 HydrophobicContact CE2-CD2 3.54Å; Y88-L106 HydrophobicContact CE2-CG 4.45Å; V102-L106 WeakPolarHBondContact O-CB 3.41Å; V102-L106 WeakPolarHBondContact O-CG 3.16Å; V102-L106 PolarHBondContact O-N 3.1Å; I103-L106 PolarHBondContact O-N 2.88Å; L106-Q108 VanDerWaalsContact C-N 3.33Å; L106-Q108 PolarHBondContact O-N 3.47Å; L106-E109 PolarHBondContact O-N 3.41Å; L106-K110 WeakPolarHBondContact O-CB 3.34Å; L106-K110 PolarHBondContact O-N 3.05Å; L106-F114 HydrophobicContact CB-CB 3.83Å; L106-F114 HydrophobicContact CB-CD1 4.05Å; L106-F114 HydrophobicContact CB-CD2 3.62Å; L106-F114 HydrophobicContact CB-CE2 4.2Å; L106-F114 HydrophobicContact CB-CG 3.55Å; L106-F114 HydrophobicContact CD1-CB 4.43Å; L106-F114 HydrophobicContact CD1-CD2 3.76Å; L106-F114 HydrophobicContact CD1-CE2 4.48Å; L106-F114 HydrophobicContact CD1-CG 4.34Å; L106-F114 HydrophobicContact CD2-CB 4.28Å; L106-F114 HydrophobicContact CG-CB 4.42Å; L106-F114 HydrophobicContact CG-CD2 4.3Å; L106-F114 HydrophobicContact CG-CG 4.45Å; L106-L118 HydrophobicContact CD1-CD2 3.55Å; L106-L118 HydrophobicContact CD1-CG 4.39Å |
| 107 | Y | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62 | -41 | 175.7 | 176.5 | -102 | 0 | 0 | 0 | 112 | H70 I103 E109 G111 F114 L126 D128 K131 L135 W182 | H70-Y107 AromaticContact CE1-CD1 3.96Å; H70-Y107 AromaticContact CE1-CE1 3.79Å; H70-Y107 AromaticContact ND1-CD1 3.87Å; H70-Y107 AromaticContact NE2-CE1 3.75Å; I103-Y107 VanDerWaalsContact O-CB 3.29Å; I103-Y107 WeakPolarHBondContact O-CB 3.27Å; I103-Y107 PolarHBondContact O-N 2.82Å; Y107-E109 VanDerWaalsContact C-N 3.3Å; Y107-E109 PolarHBondContact O-N 3.33Å; Y107-G111 WeakPolarHBondContact CA-O 3.05Å; Y107-G111 VanDerWaalsContact CD2-O 3.27Å; Y107-G111 WeakPolarHBondContact CD2-O 3.42Å; Y107-G111 VanDerWaalsContact O-CA 3.27Å; Y107-G111 WeakPolarHBondContact O-CA 3.28Å; Y107-G111 PolarHBondContact O-N 3.27Å; Y107-F114 HydrophobicContact CD2-CE1 4.24Å; Y107-L126 HydrophobicContact CD1-CD1 3.99Å; Y107-L126 HydrophobicContact CD1-CD2 3.99Å; Y107-L126 HydrophobicContact CD2-CD1 4.33Å; Y107-L126 HydrophobicContact CD2-CD2 4.26Å; Y107-L126 HydrophobicContact CE1-CD2 3.89Å; Y107-L126 HydrophobicContact CE2-CD2 4.18Å; Y107-L126 HydrophobicContact CG-CD1 3.8Å; Y107-L126 HydrophobicContact CG-CD2 4.19Å; Y107-D128 HydrophobicContact CE1-CB 4.11Å; Y107-D128 WeakPolarHBondContact CE1-OD2 3.27Å; Y107-D128 WeakPolarHBondContact OH-CB 3.46Å; Y107-D128 PolarHBondContact OH-OD2 2.83Å; Y107-K131 PolarHBondContact OH-NZ 3.03Å; Y107-K131 VanDerWaalsContact OH-NZ 3.12Å; Y107-L135 HydrophobicContact CD2-CD2 4.02Å; Y107-L135 HydrophobicContact CE2-CD2 4.48Å; Y107-W182 HydrophobicContact CE2-CH2 4.12Å; Y107-W182 HydrophobicContact CE2-CZ3 4.01Å; Y107-W182 WeakPolarHBondContact OH-CH2 3.42Å |
| 108 | Q | 97.7 | Very high | 97.6 | Very high | 86 Ų | 86 | 27.2 Ų | 27.2 | 40% | 0.402 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 176.4 | -174.1 | -178.5 | -71.3 | 0 | 0 | 112.1 | R91 L104 A105 L106 | R91-Q108 PolarHBondContact O-NE2 3.26Å; L104-Q108 WeakPolarHBondContact O-CB 3.3Å; L104-Q108 PolarHBondContact O-N 3.38Å; A105-Q108 PolarHBondContact O-N 3.46Å; L106-Q108 VanDerWaalsContact C-N 3.33Å; L106-Q108 PolarHBondContact O-N 3.47Å |
| 109 | E | 97.3 | Very high | 97.8 | Very high | 93 Ų | 93 | 29 Ų | 29 | 44% | 0.435 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -81.5 | -42.6 | -177.8 | -172.5 | 78.3 | 172.2 | 0 | 0 | 112.9 | Y88 R91 A105 L106 Y107 | Y88-E109 HydrophobicContact CD1-CG 4.48Å; Y88-E109 HydrophobicContact CE1-CB 4.22Å; Y88-E109 HydrophobicContact CE1-CG 3.93Å; R91-E109 IonicContact CZ-OE1 3.93Å; R91-E109 IonicContact NH1-OE1 3.16Å; R91-E109 PolarHBondContact NH1-OE1 3.02Å; A105-E109 PolarHBondContact O-N 2.9Å; A105-E109 VanDerWaalsContact O-N 3.15Å; L106-E109 PolarHBondContact O-N 3.41Å; Y107-E109 VanDerWaalsContact C-N 3.3Å; Y107-E109 PolarHBondContact O-N 3.33Å |
| 110 | K | 98 | Very high | 97.9 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 32% | 0.317 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -118.3 | 0.7 | -165.4 | -58.9 | -174.9 | -177.2 | -179.1 | 0 | 114.2 | Y88 L106 E113 F114 D117 | Y88-K110 VanDerWaalsContact OH-CE 3.31Å; Y88-K110 WeakPolarHBondContact OH-CE 3.46Å; Y88-K110 PolarHBondContact OH-NZ 3.13Å; L106-K110 WeakPolarHBondContact O-CB 3.34Å; L106-K110 PolarHBondContact O-N 3.05Å; K110-E113 PolarHBondContact O-N 3.26Å; K110-F114 HydrophobicContact CB-CB 4.18Å; K110-F114 HydrophobicContact CD-CB 4.06Å; K110-D117 WeakPolarHBondContact CD-OD2 3.49Å; K110-D117 IonicContact NZ-OD1 3.75Å; K110-D117 IonicContact NZ-OD2 3.73Å; K110-D117 PolarHBondContact NZ-OD2 3.22Å |
| 111 | G | 97.7 | Very high | 97.9 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 17% | 0.165 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -135 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y107 E113 F114 | Y107-G111 WeakPolarHBondContact CA-O 3.05Å; Y107-G111 VanDerWaalsContact CD2-O 3.27Å; Y107-G111 WeakPolarHBondContact CD2-O 3.42Å; Y107-G111 VanDerWaalsContact O-CA 3.27Å; Y107-G111 WeakPolarHBondContact O-CA 3.28Å; Y107-G111 PolarHBondContact O-N 3.27Å; G111-E113 VanDerWaalsContact C-N 3.33Å; G111-E113 PolarHBondContact O-N 2.94Å; G111-F114 WeakPolarHBondContact O-CD1 3.37Å; G111-F114 WeakPolarHBondContact O-CE1 3.39Å |
| 112 | P | 97.5 | Very high | 98 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.6 | -179.7 | 33.2 | -35.4 | 0 | 0 | 0 | 114.6 | F114 L115 L135 Y180 W182 | P112-F114 PolarHBondContact O-N 2.98Å; P112-L115 WeakPolarHBondContact O-CD1 3.25Å; P112-L135 HydrophobicContact CB-CD1 3.79Å; P112-L135 HydrophobicContact CB-CD2 4.22Å; P112-Y180 HydrophobicContact CB-CD2 4.29Å; P112-Y180 HydrophobicContact CB-CE2 3.96Å; P112-W182 HydrophobicContact CB-CB 4.13Å; P112-W182 HydrophobicContact CB-CD2 4.29Å; P112-W182 HydrophobicContact CB-CG 4.1Å; P112-W182 HydrophobicContact CG-CB 4.37Å; P112-W182 HydrophobicContact CG-CD2 4.31Å; P112-W182 HydrophobicContact CG-CG 4Å |
| 113 | E | 96.3 | Very high | 98 | Very high | 145 Ų | 145 | 28.9 Ų | 28.9 | 68% | 0.678 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 47.3 | -168.4 | -59.2 | -172.3 | 140.3 | 0 | 0 | 113.6 | K110 G111 | K110-E113 PolarHBondContact O-N 3.26Å; G111-E113 VanDerWaalsContact C-N 3.33Å; G111-E113 PolarHBondContact O-N 2.94Å |
| 114 | F | 98.2 | Very high | 98 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -5 | 179.2 | 67.3 | -94.6 | 0 | 0 | 0 | 114.7 | I103 L106 Y107 K110 G111 P112 D116 D117 L118 F124 L135 | I103-F114 HydrophobicContact CB-CE2 4.47Å; I103-F114 HydrophobicContact CG1-CE2 4.48Å; I103-F114 HydrophobicContact CG2-CE2 3.93Å; I103-F114 HydrophobicContact CG2-CZ 3.76Å; L106-F114 HydrophobicContact CB-CB 3.83Å; L106-F114 HydrophobicContact CB-CD1 4.05Å; L106-F114 HydrophobicContact CB-CD2 3.62Å; L106-F114 HydrophobicContact CB-CE2 4.2Å; L106-F114 HydrophobicContact CB-CG 3.55Å; L106-F114 HydrophobicContact CD1-CB 4.43Å; L106-F114 HydrophobicContact CD1-CD2 3.76Å; L106-F114 HydrophobicContact CD1-CE2 4.48Å; L106-F114 HydrophobicContact CD1-CG 4.34Å; L106-F114 HydrophobicContact CD2-CB 4.28Å; L106-F114 HydrophobicContact CG-CB 4.42Å; L106-F114 HydrophobicContact CG-CD2 4.3Å; L106-F114 HydrophobicContact CG-CG 4.45Å; Y107-F114 HydrophobicContact CD2-CE1 4.24Å; K110-F114 HydrophobicContact CB-CB 4.18Å; K110-F114 HydrophobicContact CD-CB 4.06Å; G111-F114 WeakPolarHBondContact O-CD1 3.37Å; G111-F114 WeakPolarHBondContact O-CE1 3.39Å; P112-F114 PolarHBondContact O-N 2.98Å; F114-D116 PolarHBondContact O-N 3.03Å; F114-D116 VanDerWaalsContact O-N 3.1Å; F114-D117 WeakPolarHBondContact O-CA 3.43Å; F114-D117 VanDerWaalsContact O-CB 3.24Å; F114-D117 WeakPolarHBondContact O-CB 3.42Å; F114-D117 PolarHBondContact O-N 3.39Å; F114-L118 HydrophobicContact CD2-CD1 4.32Å; F114-L118 HydrophobicContact CD2-CG 4.31Å; F114-L118 HydrophobicContact CE2-CD1 4.06Å; F114-F124 HydrophobicContact CE2-CZ 4.37Å; F114-F124 AromaticContact CZ-CZ 3.99Å; F114-F124 HydrophobicContact CZ-CZ 3.99Å; F114-L135 HydrophobicContact CE1-CD2 3.75Å; F114-L135 HydrophobicContact CZ-CD2 3.96Å |
| 115 | L | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -60.4 | -30.3 | -168.2 | -76.8 | 81.3 | 0 | 0 | 0 | 112.7 | P112 D117 L118 F122 F124 L135 Y180 Y191 | P112-L115 WeakPolarHBondContact O-CD1 3.25Å; L115-D117 VanDerWaalsContact C-N 3.26Å; L115-D117 PolarHBondContact O-N 3.15Å; L115-L118 WeakPolarHBondContact O-CB 3.47Å; L115-L118 PolarHBondContact O-N 3.18Å; L115-F122 HydrophobicContact CD2-CE2 4.27Å; L115-F124 HydrophobicContact CD1-CZ 4.37Å; L115-F124 HydrophobicContact CD2-CE1 4.05Å; L115-F124 HydrophobicContact CD2-CZ 4.18Å; L115-F124 HydrophobicContact CG-CE1 4.18Å; L115-F124 HydrophobicContact CG-CZ 4.19Å; L115-L135 HydrophobicContact CD1-CD2 4.47Å; L115-Y180 HydrophobicContact CD1-CD1 4.41Å; L115-Y180 HydrophobicContact CD1-CG 4.26Å; L115-Y180 HydrophobicContact CD2-CG 4.47Å; L115-Y191 HydrophobicContact CB-CD1 3.72Å; L115-Y191 HydrophobicContact CB-CD2 3.92Å; L115-Y191 HydrophobicContact CB-CE1 3.69Å; L115-Y191 HydrophobicContact CB-CE2 3.91Å; L115-Y191 HydrophobicContact CB-CG 3.82Å; L115-Y191 HydrophobicContact CD2-CD1 3.75Å; L115-Y191 HydrophobicContact CD2-CE1 3.47Å; L115-Y191 VanDerWaalsContact CD2-CE1 3.47Å; L115-Y191 HydrophobicContact CG-CD1 4.35Å; L115-Y191 HydrophobicContact CG-CE1 4.25Å |
| 116 | D | 98 | Very high | 98.1 | Very high | 55 Ų | 55 | 28.8 Ų | 28.8 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -78.3 | -3.5 | 174.8 | -151.9 | 22.8 | 0 | 0 | 0 | 114.5 | F114 L118 Y191 R194 K407 | F114-D116 PolarHBondContact O-N 3.03Å; F114-D116 VanDerWaalsContact O-N 3.1Å; D116-L118 VanDerWaalsContact C-N 3.33Å; D116-Y191 HydrophobicContact CB-CD2 3.86Å; D116-Y191 HydrophobicContact CB-CE2 4.37Å; D116-R194 VanDerWaalsContact CG-NH2 3.31Å; D116-R194 IonicContact OD1-CZ 2.8Å; D116-R194 IonicContact OD1-NH1 3.69Å; D116-R194 IonicContact OD1-NH2 3.41Å; D116-R194 PolarHBondContact OD1-NH2 3.39Å; D116-R194 IonicContact OD2-CZ 3.7Å; D116-R194 IonicContact OD2-NH1 3.84Å; D116-R194 PolarHBondContact OD2-NH1 3.33Å; D116-R194 IonicContact OD2-NH2 3.9Å; D116-R194 PolarHBondContact OD2-NH2 3.03Å; D116-K407 VanDerWaalsContact C-NZ 3.31Å; D116-K407 PolarHBondContact O-NZ 2.96Å; D116-K407 IonicContact OD1-NZ 3.52Å; D116-K407 PolarHBondContact OD1-NZ 3.39Å |
| 117 | D | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 31% | 0.31 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -80.2 | -21.7 | 169.2 | -58.8 | -33.7 | 0 | 0 | 0 | 111.6 | N80 K110 F114 L115 | N80-D117 PolarHBondContact ND2-O 3.08Å; K110-D117 WeakPolarHBondContact CD-OD2 3.49Å; K110-D117 IonicContact NZ-OD1 3.75Å; K110-D117 IonicContact NZ-OD2 3.73Å; K110-D117 PolarHBondContact NZ-OD2 3.22Å; F114-D117 WeakPolarHBondContact O-CA 3.43Å; F114-D117 VanDerWaalsContact O-CB 3.24Å; F114-D117 WeakPolarHBondContact O-CB 3.42Å; F114-D117 PolarHBondContact O-N 3.39Å; L115-D117 VanDerWaalsContact C-N 3.26Å; L115-D117 PolarHBondContact O-N 3.15Å |
| 118 | L | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | -74.4 | 131.9 | -179.4 | -60.1 | 177.4 | 0 | 0 | 0 | 110.9 | I78 L84 I103 L106 F114 L115 D116 F122 K407 | I78-L118 HydrophobicContact CD1-CB 4.5Å; I78-L118 HydrophobicContact CD1-CD1 4.26Å; I78-L118 HydrophobicContact CD1-CD2 4.31Å; I78-L118 HydrophobicContact CG2-CD2 3.97Å; L84-L118 HydrophobicContact CD1-CD2 4.16Å; I103-L118 HydrophobicContact CD1-CD1 4.41Å; I103-L118 HydrophobicContact CG1-CD1 4.12Å; I103-L118 HydrophobicContact CG1-CD2 4.17Å; L106-L118 HydrophobicContact CD1-CD2 3.55Å; L106-L118 HydrophobicContact CD1-CG 4.39Å; F114-L118 HydrophobicContact CD2-CD1 4.32Å; F114-L118 HydrophobicContact CD2-CG 4.31Å; F114-L118 HydrophobicContact CE2-CD1 4.06Å; L115-L118 WeakPolarHBondContact O-CB 3.47Å; L115-L118 PolarHBondContact O-N 3.18Å; D116-L118 VanDerWaalsContact C-N 3.33Å; L118-F122 HydrophobicContact CB-CD1 4.35Å; L118-F122 HydrophobicContact CB-CE1 3.61Å; L118-F122 HydrophobicContact CB-CZ 4.15Å; L118-F122 HydrophobicContact CD1-CD1 4.11Å; L118-F122 HydrophobicContact CD1-CE1 3.65Å; L118-F122 HydrophobicContact CD1-CE2 4.08Å; L118-F122 HydrophobicContact CD1-CZ 3.62Å; L118-F122 HydrophobicContact CG-CE1 4.3Å; L118-K407 WeakPolarHBondContact O-CE 3.35Å; L118-K407 PolarHBondContact O-NZ 3.1Å | ||
| 119 | Q | 97.9 | Very high | 98.1 | Very high | 40 Ų | 40 | 27.2 Ų | 27.2 | 19% | 0.187 | 14% | 0.142 | C | C | . | . | trans | -109 | 111.8 | 165.2 | -68.9 | 156.8 | 41.3 | 0 | 0 | 106.9 | I78 Y79 N80 | I78-Q119 CarbonylContact C-O 3.49Å; Y79-Q119 PolarHBondContact N-O 3.44Å; N80-Q119 HydrophobicContact CB-CB 3.96Å; N80-Q119 HydrophobicContact CB-CG 4.32Å; N80-Q119 PolarHBondContact OD1-N 3.43Å; N80-Q119 PolarHBondContact OD1-O 3.49Å | ||
| 120 | G | 97.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.9 | 178.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E77 | E77-G120 WeakPolarHBondContact O-CA 3.42Å |
| 121 | M | 97.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.2 | 166.3 | 57.1 | 179.6 | -169.4 | 0 | 0 | 106.5 | M1 G76 E77 I143 I144 E399 R401 | M1-M121 HydrophobicContact CE-CE 3.93Å; M1-M121 HydrophobicContact CE-SD 4.25Å; G76-M121 CarbonylContact C-O 3.49Å; G76-M121 WeakPolarHBondContact CA-O 3.48Å; E77-M121 HydrophobicContact CB-CE 4.24Å; E77-M121 HydrophobicContact CG-CE 4.01Å; E77-M121 PolarHBondContact N-O 3.3Å; E77-M121 PolarHBondContact O-N 3.13Å; E77-M121 VanDerWaalsContact O-N 3.12Å; M121-I143 HydrophobicContact CB-CB 3.97Å; M121-I143 HydrophobicContact CB-CD1 4.05Å; M121-I143 HydrophobicContact CB-CG2 3.78Å; M121-I143 HydrophobicContact CG-CG2 4.48Å; M121-I143 HydrophobicContact SD-CG2 3.98Å; M121-I144 HydrophobicContact CB-CD1 4Å; M121-I144 HydrophobicContact CB-CG1 3.96Å; M121-I144 HydrophobicContact CG-CD1 3.92Å; M121-I144 HydrophobicContact CG-CG1 4.34Å; M121-I144 HydrophobicContact SD-CD1 4.06Å; M121-E399 HydrophobicContact CE-CG 4.01Å; M121-E399 WeakPolarHBondContact CE-OE1 3.33Å; M121-R401 HydrophobicContact CE-CG 3.63Å |
| 122 | F | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 146.8 | -171.7 | 60.4 | -97.2 | 0 | 0 | 0 | 113.1 | V74 N75 I78 L115 L118 F124 R138 D139 I144 Y191 | V74-F122 HydrophobicContact CG1-CB 4.35Å; N75-F122 CarbonylContact O-C 3.6Å; N75-F122 WeakPolarHBondContact O-CA 3.5Å; I78-F122 HydrophobicContact CD1-CB 4.1Å; I78-F122 HydrophobicContact CD1-CD1 3.76Å; I78-F122 HydrophobicContact CD1-CG 4.18Å; L115-F122 HydrophobicContact CD2-CE2 4.27Å; L118-F122 HydrophobicContact CB-CD1 4.35Å; L118-F122 HydrophobicContact CB-CE1 3.61Å; L118-F122 HydrophobicContact CB-CZ 4.15Å; L118-F122 HydrophobicContact CD1-CD1 4.11Å; L118-F122 HydrophobicContact CD1-CE1 3.65Å; L118-F122 HydrophobicContact CD1-CE2 4.08Å; L118-F122 HydrophobicContact CD1-CZ 3.62Å; L118-F122 HydrophobicContact CG-CE1 4.3Å; F122-F124 AromaticContact CD2-CD1 3.75Å; F122-F124 HydrophobicContact CD2-CD1 3.75Å; F122-F124 HydrophobicContact CD2-CE1 4.06Å; F122-F124 HydrophobicContact CE2-CD1 4.14Å; F122-F124 AromaticContact CE2-CE1 3.96Å; F122-F124 HydrophobicContact CE2-CE1 3.96Å; F122-R138 CarbonylContact O-C 3.56Å; F122-R138 WeakPolarHBondContact O-CA 3.33Å; F122-D139 HydrophobicContact CD1-CB 3.97Å; F122-D139 HydrophobicContact CD2-CB 4.32Å; F122-D139 HydrophobicContact CE1-CB 4.05Å; F122-D139 HydrophobicContact CE2-CB 4.4Å; F122-D139 HydrophobicContact CG-CB 4.12Å; F122-D139 HydrophobicContact CZ-CB 4.28Å; F122-D139 PolarHBondContact N-OD2 3.28Å; F122-D139 WeakPolarHBondContact O-CB 3.18Å; F122-D139 PolarHBondContact O-N 3.07Å; F122-I144 VanDerWaalsContact N-CG1 3.26Å; F122-Y191 VanDerWaalsContact CZ-OH 3.32Å; F122-Y191 WeakPolarHBondContact CZ-OH 3.09Å |
| 123 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107 | N75 G137 I144 L146 | N75-A123 PolarHBondContact N-O 3.36Å; N75-A123 PolarHBondContact O-N 3.41Å; A123-G137 CarbonylContact C-O 3Å; A123-G137 WeakPolarHBondContact CA-O 3.36Å; A123-I144 HydrophobicContact CB-CB 4.03Å; A123-I144 HydrophobicContact CB-CG2 3.56Å; A123-L146 HydrophobicContact CB-CB 3.97Å; A123-L146 HydrophobicContact CB-CD1 4.25Å; A123-L146 HydrophobicContact CB-CD2 4.16Å; A123-L146 HydrophobicContact CB-CG 4.36Å |
| 124 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 158.9 | -178.2 | 73.6 | -98.4 | 0 | 0 | 0 | 113 | L72 A73 V74 I103 F114 L115 F122 L126 L135 I136 G137 | L72-F124 HydrophobicContact CD1-CB 3.99Å; L72-F124 HydrophobicContact CD1-CD2 3.84Å; L72-F124 HydrophobicContact CD1-CG 4.17Å; A73-F124 CarbonylContact O-C 3.52Å; A73-F124 WeakPolarHBondContact O-CA 3.19Å; A73-F124 WeakPolarHBondContact O-CB 3.25Å; V74-F124 HydrophobicContact CB-CB 4.25Å; V74-F124 HydrophobicContact CG1-CB 4.12Å; V74-F124 HydrophobicContact CG2-CB 3.85Å; I103-F124 HydrophobicContact CD1-CD1 4.22Å; I103-F124 HydrophobicContact CG2-CD2 4.46Å; I103-F124 HydrophobicContact CG2-CE2 4.36Å; I103-F124 HydrophobicContact CG2-CZ 4.45Å; F114-F124 HydrophobicContact CE2-CZ 4.37Å; F114-F124 AromaticContact CZ-CZ 3.99Å; F114-F124 HydrophobicContact CZ-CZ 3.99Å; L115-F124 HydrophobicContact CD1-CZ 4.37Å; L115-F124 HydrophobicContact CD2-CE1 4.05Å; L115-F124 HydrophobicContact CD2-CZ 4.18Å; L115-F124 HydrophobicContact CG-CE1 4.18Å; L115-F124 HydrophobicContact CG-CZ 4.19Å; F122-F124 AromaticContact CD2-CD1 3.75Å; F122-F124 HydrophobicContact CD2-CD1 3.75Å; F122-F124 HydrophobicContact CD2-CE1 4.06Å; F122-F124 HydrophobicContact CE2-CD1 4.14Å; F122-F124 AromaticContact CE2-CE1 3.96Å; F122-F124 HydrophobicContact CE2-CE1 3.96Å; F124-L126 HydrophobicContact CD2-CB 4.3Å; F124-L126 HydrophobicContact CE2-CB 4.33Å; F124-L135 HydrophobicContact CE2-CB 4.45Å; F124-L135 HydrophobicContact CE2-CD2 3.9Å; F124-L135 HydrophobicContact CE2-CG 3.81Å; F124-L135 HydrophobicContact CZ-CD2 3.99Å; F124-L135 HydrophobicContact CZ-CG 4.12Å; F124-I136 WeakPolarHBondContact O-CA 3.33Å; F124-G137 PolarHBondContact N-O 2.97Å; F124-G137 PolarHBondContact O-N 2.65Å |
| 125 | A | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | I4 F8 L46 A73 I136 V158 | I4-A125 HydrophobicContact CD1-CB 4.16Å; F8-A125 HydrophobicContact CE2-CB 4.42Å; F8-A125 HydrophobicContact CZ-CB 4.06Å; L46-A125 HydrophobicContact CD2-CB 3.72Å; A73-A125 PolarHBondContact N-O 3.22Å; A73-A125 PolarHBondContact O-N 3.28Å; A125-I136 HydrophobicContact CB-CG1 4.44Å; A125-V158 HydrophobicContact CB-CG2 4.28Å |
| 126 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.6 | 178.3 | -179.8 | 153.5 | 0 | 0 | 0 | 109.1 | V71 L72 L104 Y107 F124 D128 Y134 L135 | V71-L126 CarbonylContact O-C 3.49Å; V71-L126 VanDerWaalsContact O-CA 3.22Å; V71-L126 WeakPolarHBondContact O-CA 3.44Å; L72-L126 HydrophobicContact CD1-CB 4.03Å; L72-L126 HydrophobicContact CD1-CD1 4.39Å; L104-L126 HydrophobicContact CD2-CD1 3.99Å; Y107-L126 HydrophobicContact CD1-CD1 3.99Å; Y107-L126 HydrophobicContact CD1-CD2 3.99Å; Y107-L126 HydrophobicContact CD2-CD1 4.33Å; Y107-L126 HydrophobicContact CD2-CD2 4.26Å; Y107-L126 HydrophobicContact CE1-CD2 3.89Å; Y107-L126 HydrophobicContact CE2-CD2 4.18Å; Y107-L126 HydrophobicContact CG-CD1 3.8Å; Y107-L126 HydrophobicContact CG-CD2 4.19Å; F124-L126 HydrophobicContact CD2-CB 4.3Å; F124-L126 HydrophobicContact CE2-CB 4.33Å; L126-D128 HydrophobicContact CD2-CB 4.38Å; L126-Y134 CarbonylContact O-C 3.59Å; L126-Y134 WeakPolarHBondContact O-CA 3.42Å; L126-Y134 VanDerWaalsContact O-CB 3.32Å; L126-Y134 WeakPolarHBondContact O-CB 3.27Å; L126-L135 HydrophobicContact CB-CB 4.29Å; L126-L135 HydrophobicContact CD2-CB 4.46Å; L126-L135 PolarHBondContact N-O 3.21Å; L126-L135 PolarHBondContact O-N 3.43Å |
| 127 | Y | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.4 | 171.1 | 178.7 | -115.7 | 0 | 0 | 0 | 109.9 | Y39 N43 A44 H70 V71 D132 A133 | Y39-Y127 AromaticContact CE1-CD1 3.72Å; Y39-Y127 HydrophobicContact CE1-CD1 3.72Å; Y39-Y127 HydrophobicContact CE1-CE1 4.14Å; Y39-Y127 WeakPolarHBondContact OH-CE1 3.44Å; N43-Y127 HydrophobicContact CB-CE2 4.47Å; N43-Y127 WeakPolarHBondContact CB-OH 3.31Å; N43-Y127 PolarHBondContact ND2-OH 3.26Å; A44-Y127 HydrophobicContact CB-CD1 3.88Å; A44-Y127 HydrophobicContact CB-CD2 3.54Å; A44-Y127 HydrophobicContact CB-CE1 4.06Å; A44-Y127 HydrophobicContact CB-CE2 3.75Å; A44-Y127 HydrophobicContact CB-CG 3.61Å; H70-Y127 CarbonylContact C-O 3.42Å; H70-Y127 WeakPolarHBondContact CA-O 3.44Å; V71-Y127 PolarHBondContact N-O 2.75Å; V71-Y127 PolarHBondContact O-N 3.18Å; Y127-D132 PolarHBondContact OH-OD1 3.09Å; Y127-A133 VanDerWaalsContact CD2-O 3.3Å; Y127-A133 WeakPolarHBondContact CD2-O 3.36Å |
| 128 | D | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 105 | 174.1 | 177.8 | -23.1 | 0 | 0 | 0 | 108.2 | H70 Y107 L126 E130 K131 D132 A133 | H70-D128 IonicContact CD2-OD1 3.47Å; H70-D128 IonicContact CD2-OD2 3.93Å; H70-D128 IonicContact NE2-OD1 3.37Å; H70-D128 IonicContact NE2-OD2 3.75Å; H70-D128 PolarHBondContact NE2-OD2 2.71Å; Y107-D128 HydrophobicContact CE1-CB 4.11Å; Y107-D128 WeakPolarHBondContact CE1-OD2 3.27Å; Y107-D128 WeakPolarHBondContact OH-CB 3.46Å; Y107-D128 PolarHBondContact OH-OD2 2.83Å; L126-D128 HydrophobicContact CD2-CB 4.38Å; D128-E130 VanDerWaalsContact C-N 3.3Å; D128-E130 PolarHBondContact O-N 3.08Å; D128-E130 WeakPolarHBondContact OD1-CA 3.27Å; D128-E130 WeakPolarHBondContact OD1-CB 3.47Å; D128-E130 PolarHBondContact OD1-N 3.34Å; D128-K131 PolarHBondContact OD1-N 2.88Å; D128-K131 WeakPolarHBondContact OD2-CD 3.34Å; D128-K131 VanDerWaalsContact OD2-CE 3.25Å; D128-K131 WeakPolarHBondContact OD2-CE 3.32Å; D128-K131 WeakPolarHBondContact OD2-CG 3.33Å; D128-K131 IonicContact OD2-NZ 3.9Å; D128-K131 PolarHBondContact OD2-NZ 2.93Å; D128-D132 WeakPolarHBondContact O-CA 3.48Å; D128-D132 PolarHBondContact O-N 3.47Å; D128-A133 PolarHBondContact N-O 3.02Å; D128-A133 PolarHBondContact O-N 2.98Å |
| 129 | S | 98.3 | Very high | 98.5 | Very high | 48 Ų | 48 | 21.6 Ų | 21.6 | 34% | 0.336 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -16.2 | -178.2 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | T69 | T69-S129 VanDerWaalsContact CA-OG 3.29Å; T69-S129 WeakPolarHBondContact CA-OG 3.46Å; T69-S129 PolarHBondContact O-N 3.42Å; T69-S129 PolarHBondContact O-OG 3.31Å |
| 130 | E | 98 | Very high | 98.5 | Very high | 134 Ų | 134 | 20 Ų | 20 | 63% | 0.626 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -34.7 | 177.4 | -73.2 | 172.9 | 104.3 | 0 | 0 | 110.8 | T69 H70 D128 | T69-E130 VanDerWaalsContact CB-OE2 3.22Å; T69-E130 WeakPolarHBondContact CB-OE2 3.25Å; T69-E130 HydrophobicContact CG2-CG 3.76Å; T69-E130 PolarHBondContact OG1-OE2 3.16Å; H70-E130 IonicContact NE2-OE2 2.88Å; D128-E130 VanDerWaalsContact C-N 3.3Å; D128-E130 PolarHBondContact O-N 3.08Å; D128-E130 WeakPolarHBondContact OD1-CA 3.27Å; D128-E130 WeakPolarHBondContact OD1-CB 3.47Å; D128-E130 PolarHBondContact OD1-N 3.34Å |
| 131 | K | 97.9 | Very high | 98.5 | Very high | 103 Ų | 103 | 19.9 Ų | 19.9 | 45% | 0.448 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -7.3 | 177.2 | -62.1 | 179.8 | -160.9 | 157.1 | 0 | 114 | Y107 D128 A133 W182 | Y107-K131 PolarHBondContact OH-NZ 3.03Å; Y107-K131 VanDerWaalsContact OH-NZ 3.12Å; D128-K131 PolarHBondContact OD1-N 2.88Å; D128-K131 WeakPolarHBondContact OD2-CD 3.34Å; D128-K131 VanDerWaalsContact OD2-CE 3.25Å; D128-K131 WeakPolarHBondContact OD2-CE 3.32Å; D128-K131 WeakPolarHBondContact OD2-CG 3.33Å; D128-K131 IonicContact OD2-NZ 3.9Å; D128-K131 PolarHBondContact OD2-NZ 2.93Å; K131-A133 VanDerWaalsContact C-N 3.26Å; K131-A133 HydrophobicContact CB-CB 3.86Å; K131-A133 PolarHBondContact O-N 3.34Å; K131-W182 HydrophobicContact CD-CH2 4.41Å; K131-W182 HydrophobicContact CD-CZ2 4.28Å |
| 132 | D | 98 | Very high | 98.5 | Very high | 93 Ų | 93 | 19.9 Ų | 19.9 | 50% | 0.497 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 52.5 | -167.4 | -167.7 | 25.5 | 0 | 0 | 0 | 111.2 | N43 Y127 D128 | N43-D132 WeakPolarHBondContact CB-OD1 3.42Å; N43-D132 PolarHBondContact ND2-OD1 3.35Å; N43-D132 PolarHBondContact ND2-OD2 3.21Å; Y127-D132 PolarHBondContact OH-OD1 3.09Å; D128-D132 WeakPolarHBondContact O-CA 3.48Å; D128-D132 PolarHBondContact O-N 3.47Å |
| 133 | A | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 160.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y127 D128 K131 W182 S183 Q184 | Y127-A133 VanDerWaalsContact CD2-O 3.3Å; Y127-A133 WeakPolarHBondContact CD2-O 3.36Å; D128-A133 PolarHBondContact N-O 3.02Å; D128-A133 PolarHBondContact O-N 2.98Å; K131-A133 VanDerWaalsContact C-N 3.26Å; K131-A133 HydrophobicContact CB-CB 3.86Å; K131-A133 PolarHBondContact O-N 3.34Å; A133-W182 HydrophobicContact CB-CH2 3.32Å; A133-W182 HydrophobicContact CB-CZ2 3.77Å; A133-W182 HydrophobicContact CB-CZ3 3.92Å; A133-S183 VanDerWaalsContact CA-OG 3.24Å; A133-S183 WeakPolarHBondContact CA-OG 3.49Å; A133-S183 WeakPolarHBondContact CB-OG 3.49Å; A133-Q184 HydrophobicContact CB-CG 3.95Å |
| 134 | Y | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 20.2 Ų | 20.2 | 8% | 0.075 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 146.4 | -179.7 | 55.9 | -95.2 | 0 | 0 | 0 | 112.1 | F8 D9 L126 I136 L156 L181 W182 S183 | F8-Y134 HydrophobicContact CB-CD1 3.72Å; F8-Y134 HydrophobicContact CB-CE1 3.57Å; F8-Y134 HydrophobicContact CB-CE2 4.48Å; F8-Y134 HydrophobicContact CB-CG 4.23Å; F8-Y134 AromaticContact CD1-CD1 3.6Å; F8-Y134 HydrophobicContact CD1-CD1 3.6Å; F8-Y134 HydrophobicContact CD1-CD2 4.3Å; F8-Y134 HydrophobicContact CD1-CE1 4.34Å; F8-Y134 AromaticContact CD1-CG 3.56Å; F8-Y134 HydrophobicContact CD1-CG 3.56Å; F8-Y134 HydrophobicContact CD2-CD2 4.25Å; F8-Y134 HydrophobicContact CD2-CG 4.31Å; F8-Y134 HydrophobicContact CE1-CD1 4.31Å; F8-Y134 HydrophobicContact CE1-CD2 4.49Å; F8-Y134 AromaticContact CE1-CG 3.84Å; F8-Y134 HydrophobicContact CE1-CG 3.84Å; F8-Y134 HydrophobicContact CE2-CD2 4.44Å; F8-Y134 AromaticContact CG-CD1 3.76Å; F8-Y134 HydrophobicContact CG-CD1 3.76Å; F8-Y134 HydrophobicContact CG-CD2 4.14Å; F8-Y134 HydrophobicContact CG-CE1 4.07Å; F8-Y134 HydrophobicContact CG-CE2 4.43Å; F8-Y134 AromaticContact CG-CG 3.79Å; F8-Y134 HydrophobicContact CG-CG 3.79Å; F8-Y134 HydrophobicContact CZ-CG 4.3Å; D9-Y134 PolarHBondContact OD2-OH 3.4Å; L126-Y134 CarbonylContact O-C 3.59Å; L126-Y134 WeakPolarHBondContact O-CA 3.42Å; L126-Y134 VanDerWaalsContact O-CB 3.32Å; L126-Y134 WeakPolarHBondContact O-CB 3.27Å; Y134-I136 HydrophobicContact CD2-CD1 3.86Å; Y134-I136 HydrophobicContact CD2-CG1 4.37Å; Y134-I136 HydrophobicContact CE2-CD1 4.02Å; Y134-L156 HydrophobicContact CE2-CD2 3.55Å; Y134-L156 WeakPolarHBondContact OH-CD2 3.2Å; Y134-L181 HydrophobicContact CE2-CD2 4.07Å; Y134-L181 HydrophobicContact CE2-CG 4.49Å; Y134-W182 WeakPolarHBondContact O-CZ3 3.48Å; Y134-S183 VanDerWaalsContact CE1-CB 3.43Å; Y134-S183 VanDerWaalsContact CZ-CB 3.46Å; Y134-S183 PolarHBondContact N-OG 2.81Å; Y134-S183 PolarHBondContact O-N 2.97Å |
| 135 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.1 | 175.1 | 179.4 | 62.8 | 0 | 0 | 0 | 108.8 | Y107 P112 F114 L115 F124 L126 Y180 L181 W182 | Y107-L135 HydrophobicContact CD2-CD2 4.02Å; Y107-L135 HydrophobicContact CE2-CD2 4.48Å; P112-L135 HydrophobicContact CB-CD1 3.79Å; P112-L135 HydrophobicContact CB-CD2 4.22Å; F114-L135 HydrophobicContact CE1-CD2 3.75Å; F114-L135 HydrophobicContact CZ-CD2 3.96Å; L115-L135 HydrophobicContact CD1-CD2 4.47Å; F124-L135 HydrophobicContact CE2-CB 4.45Å; F124-L135 HydrophobicContact CE2-CD2 3.9Å; F124-L135 HydrophobicContact CE2-CG 3.81Å; F124-L135 HydrophobicContact CZ-CD2 3.99Å; F124-L135 HydrophobicContact CZ-CG 4.12Å; L126-L135 HydrophobicContact CB-CB 4.29Å; L126-L135 HydrophobicContact CD2-CB 4.46Å; L126-L135 PolarHBondContact N-O 3.21Å; L126-L135 PolarHBondContact O-N 3.43Å; L135-Y180 HydrophobicContact CD1-CD2 3.67Å; L135-Y180 HydrophobicContact CD1-CG 4.26Å; L135-L181 WeakPolarHBondContact CA-O 3.13Å; L135-W182 HydrophobicContact CB-CE3 3.78Å; L135-W182 HydrophobicContact CB-CZ3 4.01Å; L135-W182 HydrophobicContact CD1-CB 4.35Å; L135-W182 HydrophobicContact CD1-CE3 4.31Å |
| 136 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.9 | 172.1 | -62.9 | 149.5 | 0 | 0 | 0 | 107.4 | F8 F124 A125 Y134 L146 L156 V158 F175 Y180 L181 | F8-I136 HydrophobicContact CD2-CD1 4.27Å; F8-I136 HydrophobicContact CE2-CD1 3.88Å; F8-I136 HydrophobicContact CE2-CG1 4.08Å; F8-I136 HydrophobicContact CZ-CG1 4.48Å; F124-I136 WeakPolarHBondContact O-CA 3.33Å; A125-I136 HydrophobicContact CB-CG1 4.44Å; Y134-I136 HydrophobicContact CD2-CD1 3.86Å; Y134-I136 HydrophobicContact CD2-CG1 4.37Å; Y134-I136 HydrophobicContact CE2-CD1 4.02Å; I136-L146 HydrophobicContact CG2-CD2 3.67Å; I136-L156 HydrophobicContact CD1-CD2 3.89Å; I136-V158 HydrophobicContact CD1-CG1 3.62Å; I136-V158 HydrophobicContact CG1-CG1 4.29Å; I136-V158 HydrophobicContact CG2-CG1 4.4Å; I136-F175 HydrophobicContact CB-CE2 4.02Å; I136-F175 HydrophobicContact CB-CZ 4.22Å; I136-F175 HydrophobicContact CG2-CD2 3.91Å; I136-F175 HydrophobicContact CG2-CE1 4.4Å; I136-F175 HydrophobicContact CG2-CE2 3.51Å; I136-F175 HydrophobicContact CG2-CZ 3.78Å; I136-Y180 CarbonylContact O-C 3.5Å; I136-Y180 WeakPolarHBondContact O-CA 3.12Å; I136-Y180 WeakPolarHBondContact O-CB 3.46Å; I136-L181 HydrophobicContact CB-CB 4.38Å; I136-L181 HydrophobicContact CD1-CD2 4.06Å; I136-L181 PolarHBondContact N-O 3.08Å; I136-L181 PolarHBondContact O-N 2.99Å |
| 137 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A123 F124 | A123-G137 CarbonylContact C-O 3Å; A123-G137 WeakPolarHBondContact CA-O 3.36Å; F124-G137 PolarHBondContact N-O 2.97Å; F124-G137 PolarHBondContact O-N 2.65Å |
| 138 | R | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.9 | 176.3 | -169.5 | -179.1 | -174.3 | -167.5 | -1.5 | 110.4 | F122 G142 I144 L146 E174 F175 S179 Y191 | F122-R138 CarbonylContact O-C 3.56Å; F122-R138 WeakPolarHBondContact O-CA 3.33Å; R138-G142 VanDerWaalsContact NE-CA 3.35Å; R138-G142 PolarHBondContact NH2-O 3.07Å; R138-I144 PolarHBondContact NE-O 2.94Å; R138-I144 PolarHBondContact NH2-O 3.19Å; R138-L146 HydrophobicContact CB-CD2 4.3Å; R138-L146 HydrophobicContact CG-CB 4.46Å; R138-E174 IonicContact CZ-OE1 3.77Å; R138-E174 VanDerWaalsContact CZ-OE1 3.22Å; R138-E174 VanDerWaalsContact NH1-CD 3.28Å; R138-E174 VanDerWaalsContact NH1-CG 3.3Å; R138-E174 IonicContact NH1-OE1 3.11Å; R138-E174 PolarHBondContact NH1-OE1 2.97Å; R138-E174 IonicContact NH2-OE1 2.63Å; R138-E174 PolarHBondContact NH2-OE1 3.19Å; R138-F175 HydrophobicContact CB-CD1 3.8Å; R138-F175 HydrophobicContact CB-CE1 4.09Å; R138-F175 WeakPolarHBondContact CD-O 3.4Å; R138-F175 PolarHBondContact NH1-O 2.88Å; R138-S179 PolarHBondContact N-O 3.36Å; R138-Y191 VanDerWaalsContact O-CE1 3.29Å; R138-Y191 WeakPolarHBondContact O-CE1 3.46Å; R138-Y191 PolarHBondContact O-OH 2.82Å |
| 139 | D | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -58.1 | 165.1 | -175.9 | 69.2 | 76.5 | 0 | 0 | 0 | 114.3 | F122 L141 G142 I143 I144 G178 Y191 | F122-D139 HydrophobicContact CD1-CB 3.97Å; F122-D139 HydrophobicContact CD2-CB 4.32Å; F122-D139 HydrophobicContact CE1-CB 4.05Å; F122-D139 HydrophobicContact CE2-CB 4.4Å; F122-D139 HydrophobicContact CG-CB 4.12Å; F122-D139 HydrophobicContact CZ-CB 4.28Å; F122-D139 PolarHBondContact N-OD2 3.28Å; F122-D139 WeakPolarHBondContact O-CB 3.18Å; F122-D139 PolarHBondContact O-N 3.07Å; D139-L141 PolarHBondContact O-N 3.33Å; D139-L141 PolarHBondContact OD1-N 2.91Å; D139-G142 PolarHBondContact O-N 2.86Å; D139-G142 VanDerWaalsContact O-N 3.1Å; D139-G142 WeakPolarHBondContact OD1-CA 3.43Å; D139-G142 PolarHBondContact OD1-N 3.17Å; D139-I143 PolarHBondContact OD1-N 3.34Å; D139-I143 PolarHBondContact OD2-N 3.48Å; D139-I144 PolarHBondContact OD2-N 2.79Å; D139-G178 WeakPolarHBondContact O-CA 3.45Å; D139-G178 PolarHBondContact O-N 3.33Å; D139-Y191 VanDerWaalsContact C-OH 3.3Å; D139-Y191 VanDerWaalsContact CA-OH 3.31Å; D139-Y191 WeakPolarHBondContact CA-OH 3.22Å | ||
| 140 | H | 98.2 | Very high | 98.4 | Very high | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -29 | -167.8 | 54.9 | -66.6 | 0 | 0 | 0 | 114.7 | Y191 Y192 L405 | H140-Y191 PolarHBondContact N-OH 3.35Å; H140-Y192 HydrophobicContact CB-CD1 3.71Å; H140-Y192 HydrophobicContact CB-CD2 3.45Å; H140-Y192 VanDerWaalsContact CB-CD2 3.45Å; H140-Y192 HydrophobicContact CB-CE1 3.81Å; H140-Y192 HydrophobicContact CB-CE2 3.54Å; H140-Y192 HydrophobicContact CB-CG 3.52Å; H140-Y192 AromaticContact CD2-CZ 3.88Å; H140-Y192 WeakPolarHBondContact O-CD1 3.4Å; H140-L405 PolarHBondContact NE2-O 3.43Å |
| 141 | L | 98 | Very high | 98.4 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 5.1 | 179.4 | -66.3 | -179.3 | 0 | 0 | 0 | 113.7 | D139 I143 Y192 L378 L379 H382 L405 L410 | D139-L141 PolarHBondContact O-N 3.33Å; D139-L141 PolarHBondContact OD1-N 2.91Å; L141-I143 VanDerWaalsContact C-N 3.33Å; L141-I143 HydrophobicContact CB-CG1 4.3Å; L141-Y192 HydrophobicContact CD2-CE1 4.27Å; L141-L378 HydrophobicContact CD1-CD2 4.26Å; L141-L378 HydrophobicContact CD2-CB 4.43Å; L141-L379 HydrophobicContact CD2-CD2 4.2Å; L141-H382 WeakPolarHBondContact O-CB 3.38Å; L141-L405 HydrophobicContact CD1-CB 4.29Å; L141-L405 HydrophobicContact CD1-CD2 3.89Å; L141-L410 HydrophobicContact CD1-CD1 3.59Å; L141-L410 HydrophobicContact CG-CD1 4.45Å |
| 142 | G | 98 | Very high | 98.4 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | trans | 65.3 | 34.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R138 D139 I144 H382 | R138-G142 VanDerWaalsContact NE-CA 3.35Å; R138-G142 PolarHBondContact NH2-O 3.07Å; D139-G142 PolarHBondContact O-N 2.86Å; D139-G142 VanDerWaalsContact O-N 3.1Å; D139-G142 WeakPolarHBondContact OD1-CA 3.43Å; D139-G142 PolarHBondContact OD1-N 3.17Å; G142-I144 PolarHBondContact O-N 3.05Å; G142-H382 VanDerWaalsContact O-CB 3.3Å; G142-H382 WeakPolarHBondContact O-CB 3.36Å | ||
| 143 | I | 98.4 | Very high | 98.3 | Very high | 10 Ų | 10 | 18.3 Ų | 18.3 | 5% | 0.051 | 8% | 0.083 | C | C | . | . | trans | -54.4 | -40.1 | 175.5 | -61.2 | 165.2 | 0 | 0 | 0 | 110.2 | M121 D139 L141 N390 V402 L405 | M121-I143 HydrophobicContact CB-CB 3.97Å; M121-I143 HydrophobicContact CB-CD1 4.05Å; M121-I143 HydrophobicContact CB-CG2 3.78Å; M121-I143 HydrophobicContact CG-CG2 4.48Å; M121-I143 HydrophobicContact SD-CG2 3.98Å; D139-I143 PolarHBondContact OD1-N 3.34Å; D139-I143 PolarHBondContact OD2-N 3.48Å; L141-I143 VanDerWaalsContact C-N 3.33Å; L141-I143 HydrophobicContact CB-CG1 4.3Å; I143-N390 PolarHBondContact O-ND2 3.03Å; I143-V402 HydrophobicContact CD1-CG2 3.99Å; I143-V402 HydrophobicContact CG1-CG2 4.26Å; I143-V402 HydrophobicContact CG2-CG2 3.62Å; I143-L405 HydrophobicContact CD1-CB 3.93Å; I143-L405 HydrophobicContact CD1-CD1 4.48Å; I143-L405 HydrophobicContact CG1-CD1 4.19Å | ||
| 144 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -91.6 | 127 | 172.4 | -51.9 | -57.8 | 0 | 0 | 0 | 109.7 | M1 N75 M121 F122 A123 R138 D139 G142 | M1-I144 HydrophobicContact CE-CD1 3.56Å; M1-I144 HydrophobicContact SD-CD1 3.38Å; M1-I144 WeakPolarHBondContact SD-CD1 3.49Å; N75-I144 HydrophobicContact CB-CG2 3.98Å; N75-I144 VanDerWaalsContact CG-CG2 3.42Å; N75-I144 WeakPolarHBondContact ND2-CG2 3.24Å; N75-I144 WeakPolarHBondContact O-CG2 3.34Å; M121-I144 HydrophobicContact CB-CD1 4Å; M121-I144 HydrophobicContact CB-CG1 3.96Å; M121-I144 HydrophobicContact CG-CD1 3.92Å; M121-I144 HydrophobicContact CG-CG1 4.34Å; M121-I144 HydrophobicContact SD-CD1 4.06Å; F122-I144 VanDerWaalsContact N-CG1 3.26Å; A123-I144 HydrophobicContact CB-CB 4.03Å; A123-I144 HydrophobicContact CB-CG2 3.56Å; R138-I144 PolarHBondContact NE-O 2.94Å; R138-I144 PolarHBondContact NH2-O 3.19Å; D139-I144 PolarHBondContact OD2-N 2.79Å; G142-I144 PolarHBondContact O-N 3.05Å |
| 145 | P | 98.2 | Very high | 98.1 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.032 | 9% | 0.093 | C | C | . | . | trans | -70.2 | 142.6 | 178 | 30.5 | -36.3 | 0 | 0 | 0 | 111.4 | Y147 S160 N390 K391 | P145-Y147 HydrophobicContact CB-CE2 4.21Å; P145-S160 CarbonylContact C-O 3.59Å; P145-S160 WeakPolarHBondContact CB-O 3.35Å; P145-S160 WeakPolarHBondContact CG-O 3.33Å; P145-S160 WeakPolarHBondContact O-CA 3.18Å; P145-N390 VanDerWaalsContact CD-CG 3.46Å; P145-N390 VanDerWaalsContact CD-ND2 3.33Å; P145-N390 WeakPolarHBondContact CD-ND2 3.46Å; P145-N390 WeakPolarHBondContact CD-OD1 3.36Å; P145-K391 HydrophobicContact CG-CG 4.49Å | ||
| 146 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -151.2 | 131.3 | 174.5 | -173.6 | 64.8 | 0 | 0 | 0 | 109.5 | I4 A123 I136 R138 V158 E174 F175 | I4-L146 HydrophobicContact CD1-CD1 3.97Å; I4-L146 HydrophobicContact CG1-CD1 4.31Å; A123-L146 HydrophobicContact CB-CB 3.97Å; A123-L146 HydrophobicContact CB-CD1 4.25Å; A123-L146 HydrophobicContact CB-CD2 4.16Å; A123-L146 HydrophobicContact CB-CG 4.36Å; I136-L146 HydrophobicContact CG2-CD2 3.67Å; R138-L146 HydrophobicContact CB-CD2 4.3Å; R138-L146 HydrophobicContact CG-CB 4.46Å; L146-V158 HydrophobicContact CD1-CB 4.46Å; L146-E174 WeakPolarHBondContact O-CG 3.45Å; L146-F175 HydrophobicContact CB-CB 4Å; L146-F175 HydrophobicContact CD2-CB 3.78Å; L146-F175 HydrophobicContact CD2-CD1 3.81Å; L146-F175 HydrophobicContact CD2-CD2 4.2Å; L146-F175 HydrophobicContact CD2-CE1 4.45Å; L146-F175 HydrophobicContact CD2-CG 3.66Å; L146-F175 HydrophobicContact CG-CB 3.74Å; L146-F175 HydrophobicContact CG-CG 4.18Å; L146-F175 WeakPolarHBondContact O-CB 3.36Å; L146-F175 PolarHBondContact O-N 3.4Å | ||
| 147 | Y | 98.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 19 Ų | 19 | 5% | 0.047 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 155.1 | 178.5 | -62.7 | -88 | 0 | 0 | 0 | 109.7 | P145 V158 A159 M162 I172 K173 E174 K391 C514 | P145-Y147 HydrophobicContact CB-CE2 4.21Å; Y147-V158 CarbonylContact O-C 3.58Å; Y147-V158 VanDerWaalsContact O-CA 3.24Å; Y147-V158 WeakPolarHBondContact O-CA 3.46Å; Y147-A159 PolarHBondContact N-O 2.9Å; Y147-A159 PolarHBondContact O-N 3.07Å; Y147-M162 HydrophobicContact CD1-CB 4.08Å; Y147-M162 HydrophobicContact CD2-CB 4.17Å; Y147-M162 HydrophobicContact CE1-CB 4.24Å; Y147-M162 HydrophobicContact CE2-CB 4.32Å; Y147-M162 HydrophobicContact CG-CB 4.05Å; Y147-I172 HydrophobicContact CD1-CG2 4.43Å; Y147-K173 WeakPolarHBondContact CA-O 3.23Å; Y147-E174 HydrophobicContact CD1-CB 4.18Å; Y147-E174 HydrophobicContact CD1-CG 4.39Å; Y147-E174 HydrophobicContact CE1-CB 4.07Å; Y147-E174 HydrophobicContact CE1-CG 4.13Å; Y147-K391 PolarHBondContact OH-NZ 3.04Å; Y147-C514 HydrophobicContact CE1-CB 4.27Å |
| 148 | M | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.9 | 175.5 | 66.6 | -179.4 | -64.2 | 0 | 0 | 111.4 | L156 Y157 V158 I172 K173 F175 L181 I188 | M148-L156 HydrophobicContact CB-CD1 4.36Å; M148-L156 HydrophobicContact CE-CD1 3.67Å; M148-Y157 CarbonylContact C-O 3.42Å; M148-Y157 WeakPolarHBondContact CA-O 3.23Å; M148-V158 HydrophobicContact CB-CG1 3.98Å; M148-I172 CarbonylContact O-C 3.56Å; M148-I172 WeakPolarHBondContact O-CA 3.49Å; M148-K173 HydrophobicContact CG-CD 4.34Å; M148-K173 HydrophobicContact CG-CG 3.64Å; M148-K173 PolarHBondContact N-O 3.42Å; M148-K173 PolarHBondContact O-N 3.25Å; M148-K173 HydrophobicContact SD-CD 4.42Å; M148-K173 WeakPolarHBondContact SD-CE 3.33Å; M148-K173 HydrophobicContact SD-CG 4.33Å; M148-F175 HydrophobicContact CG-CD2 4.47Å; M148-F175 HydrophobicContact SD-CD2 3.69Å; M148-F175 HydrophobicContact SD-CE2 4.32Å; M148-L181 HydrophobicContact CE-CD2 4.5Å; M148-I188 HydrophobicContact CE-CD1 4.46Å; M148-I188 HydrophobicContact SD-CD1 3.77Å |
| 149 | G | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 172 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y157 T171 | G149-Y157 PolarHBondContact N-O 3.49Å; G149-Y157 PolarHBondContact O-N 2.98Å; G149-T171 WeakPolarHBondContact CA-O 3.34Å |
| 150 | Y | 98.1 | Very high | 98.1 | Very high | 93 Ų | 93 | 19 Ų | 19 | 37% | 0.365 | 9% | 0.094 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.7 | 176.8 | -63.2 | -87.2 | 0 | 0 | 0 | 110.4 | Q155 L156 C169 R170 T171 | Y150-Q155 WeakPolarHBondContact CA-O 3.13Å; Y150-L156 HydrophobicContact CD1-CB 4.29Å; Y150-L156 HydrophobicContact CD1-CD1 4.44Å; Y150-L156 HydrophobicContact CE1-CB 3.87Å; Y150-L156 HydrophobicContact CE1-CD1 3.89Å; Y150-L156 HydrophobicContact CE1-CG 4.45Å; Y150-L156 HydrophobicContact CE2-CD1 4.39Å; Y150-C169 CarbonylContact O-C 3.56Å; Y150-C169 VanDerWaalsContact O-CA 3.29Å; Y150-C169 WeakPolarHBondContact O-CA 3.45Å; Y150-R170 PolarHBondContact O-N 3.3Å; Y150-T171 PolarHBondContact N-O 2.9Å |
| 151 | D | 97.3 | Very high | 98.1 | Very high | 14 Ų | 14 | 18.7 Ų | 18.7 | 8% | 0.075 | 9% | 0.093 | C | C | . | . | trans | -81.7 | -173.1 | 168.4 | 70.1 | 11.2 | 0 | 0 | 0 | 112 | H153 G154 Q155 Y157 V168 | D151-H153 PolarHBondContact O-N 3.18Å; D151-H153 WeakPolarHBondContact OD1-CA 3.21Å; D151-H153 WeakPolarHBondContact OD1-CB 3.39Å; D151-H153 PolarHBondContact OD1-N 3.33Å; D151-G154 PolarHBondContact O-N 3.21Å; D151-G154 PolarHBondContact OD1-N 2.93Å; D151-Q155 PolarHBondContact N-O 3.4Å; D151-Q155 PolarHBondContact OD1-N 2.73Å; D151-Q155 PolarHBondContact OD2-NE2 2.9Å; D151-Y157 HydrophobicContact CB-CD2 4.39Å; D151-Y157 HydrophobicContact CB-CE2 3.58Å; D151-Y157 VanDerWaalsContact CG-CE2 3.5Å; D151-Y157 WeakPolarHBondContact OD2-CE2 3.19Å; D151-Y157 PolarHBondContact OD2-OH 3.31Å; D151-V168 HydrophobicContact CB-CG2 4.18Å | ||
| 152 | E | 96.9 | Very high | 98.1 | Very high | 126 Ų | 126 | 18.6 Ų | 18.6 | 59% | 0.589 | 9% | 0.092 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -14.4 | 179.3 | 66.2 | -172.4 | -173.3 | 0 | 0 | 114.9 | R170 | E152-R170 HydrophobicContact CB-CG 4.4Å; E152-R170 IonicContact OE2-CZ 3.02Å; E152-R170 IonicContact OE2-NE 3.86Å; E152-R170 IonicContact OE2-NH2 3.08Å; E152-R170 PolarHBondContact OE2-NH2 2.76Å |
| 153 | H | 96.8 | Very high | 98.1 | Very high | 92 Ų | 92 | 19 Ų | 19 | 43% | 0.426 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -5.2 | 175.3 | -55 | -60.3 | 0 | 0 | 0 | 111.7 | K11 T12 D151 Q155 | K11-H153 WeakPolarHBondContact CD-O 3.09Å; K11-H153 PolarHBondContact NZ-O 2.72Å; T12-H153 HydrophobicContact CG2-CB 4.25Å; T12-H153 WeakPolarHBondContact CG2-CD2 3.42Å; D151-H153 PolarHBondContact O-N 3.18Å; D151-H153 WeakPolarHBondContact OD1-CA 3.21Å; D151-H153 WeakPolarHBondContact OD1-CB 3.39Å; D151-H153 PolarHBondContact OD1-N 3.33Å; H153-Q155 VanDerWaalsContact C-N 3.34Å; H153-Q155 HydrophobicContact CB-CG 4.14Å |
| 154 | G | 96.4 | Very high | 98.1 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 29% | 0.289 | 9% | 0.091 | S | C | . | . | trans | 70.1 | 32 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K11 D151 | K11-G154 PolarHBondContact NZ-O 3.36Å; D151-G154 PolarHBondContact O-N 3.21Å; D151-G154 PolarHBondContact OD1-N 2.93Å | ||
| 155 | Q | 97.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | trans | -78.1 | 139.3 | 164.9 | -51.2 | 179.7 | 147.7 | 0 | 0 | 108 | V7 T12 Y150 D151 H153 Y157 | V7-Q155 HydrophobicContact CG1-CB 4.3Å; T12-Q155 PolarHBondContact OG1-OE1 2.84Å; Y150-Q155 WeakPolarHBondContact CA-O 3.13Å; D151-Q155 PolarHBondContact N-O 3.4Å; D151-Q155 PolarHBondContact OD1-N 2.73Å; D151-Q155 PolarHBondContact OD2-NE2 2.9Å; H153-Q155 VanDerWaalsContact C-N 3.34Å; H153-Q155 HydrophobicContact CB-CG 4.14Å; Q155-Y157 HydrophobicContact CB-CE2 3.92Å; Q155-Y157 PolarHBondContact NE2-OH 2.81Å; Q155-Y157 WeakPolarHBondContact O-CD2 3.47Å | ||
| 156 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.7 | 178.6 | 172.2 | 65 | 0 | 0 | 0 | 109.7 | V7 F8 Y134 I136 M148 Y150 L181 | V7-L156 CarbonylContact C-O 3.29Å; V7-L156 WeakPolarHBondContact CA-O 3.44Å; F8-L156 HydrophobicContact CB-CB 4.34Å; F8-L156 HydrophobicContact CD2-CD2 4.27Å; F8-L156 HydrophobicContact CD2-CG 4.48Å; F8-L156 PolarHBondContact N-O 3.3Å; F8-L156 PolarHBondContact O-N 3.12Å; Y134-L156 HydrophobicContact CE2-CD2 3.55Å; Y134-L156 WeakPolarHBondContact OH-CD2 3.2Å; I136-L156 HydrophobicContact CD1-CD2 3.89Å; M148-L156 HydrophobicContact CB-CD1 4.36Å; M148-L156 HydrophobicContact CE-CD1 3.67Å; Y150-L156 HydrophobicContact CD1-CB 4.29Å; Y150-L156 HydrophobicContact CD1-CD1 4.44Å; Y150-L156 HydrophobicContact CE1-CB 3.87Å; Y150-L156 HydrophobicContact CE1-CD1 3.89Å; Y150-L156 HydrophobicContact CE1-CG 4.45Å; Y150-L156 HydrophobicContact CE2-CD1 4.39Å; L156-L181 HydrophobicContact CD2-CD2 4.02Å |
| 157 | Y | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.9 | 171.4 | -65.2 | -108 | 0 | 0 | 0 | 110.3 | F5 G6 V7 L17 M148 G149 D151 Q155 V168 | F5-Y157 HydrophobicContact CE1-CD1 4.31Å; F5-Y157 HydrophobicContact CE2-CD1 4.29Å; F5-Y157 AromaticContact CZ-CD1 3.63Å; F5-Y157 HydrophobicContact CZ-CD1 3.63Å; F5-Y157 HydrophobicContact CZ-CE1 4.05Å; G6-Y157 VanDerWaalsContact O-CA 3.3Å; G6-Y157 WeakPolarHBondContact O-CA 3.16Å; V7-Y157 HydrophobicContact CB-CD1 4.45Å; V7-Y157 HydrophobicContact CB-CE1 4.36Å; V7-Y157 HydrophobicContact CG1-CD1 4.14Å; V7-Y157 HydrophobicContact CG1-CD2 4.44Å; V7-Y157 HydrophobicContact CG1-CE1 3.81Å; V7-Y157 HydrophobicContact CG1-CE2 4.1Å; V7-Y157 HydrophobicContact CG1-CG 4.45Å; V7-Y157 HydrophobicContact CG2-CD1 3.71Å; V7-Y157 HydrophobicContact CG2-CE1 3.63Å; L17-Y157 WeakPolarHBondContact CD1-OH 3.47Å; M148-Y157 CarbonylContact C-O 3.42Å; M148-Y157 WeakPolarHBondContact CA-O 3.23Å; G149-Y157 PolarHBondContact N-O 3.49Å; G149-Y157 PolarHBondContact O-N 2.98Å; D151-Y157 HydrophobicContact CB-CD2 4.39Å; D151-Y157 HydrophobicContact CB-CE2 3.58Å; D151-Y157 VanDerWaalsContact CG-CE2 3.5Å; D151-Y157 WeakPolarHBondContact OD2-CE2 3.19Å; D151-Y157 PolarHBondContact OD2-OH 3.31Å; Q155-Y157 HydrophobicContact CB-CE2 3.92Å; Q155-Y157 PolarHBondContact NE2-OH 2.81Å; Q155-Y157 WeakPolarHBondContact O-CD2 3.47Å; Y157-V168 HydrophobicContact CD1-CG1 3.95Å; Y157-V168 HydrophobicContact CE1-CG1 3.84Å; Y157-V168 HydrophobicContact CE1-CG2 4.03Å; Y157-V168 HydrophobicContact CE2-CG2 4.39Å; Y157-V168 HydrophobicContact CG-CG1 4.42Å; Y157-V168 WeakPolarHBondContact OH-CG2 3.32Å |
| 158 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.9 | 169.7 | -65.1 | 0 | 0 | 0 | 0 | 110.2 | F5 G6 F8 A125 I136 L146 Y147 M148 | F5-V158 CarbonylContact C-O 2.89Å; F5-V158 WeakPolarHBondContact CA-O 3.46Å; G6-V158 PolarHBondContact N-O 2.99Å; G6-V158 PolarHBondContact O-N 2.6Å; F8-V158 HydrophobicContact CE2-CG2 3.83Å; A125-V158 HydrophobicContact CB-CG2 4.28Å; I136-V158 HydrophobicContact CD1-CG1 3.62Å; I136-V158 HydrophobicContact CG1-CG1 4.29Å; I136-V158 HydrophobicContact CG2-CG1 4.4Å; L146-V158 HydrophobicContact CD1-CB 4.46Å; Y147-V158 CarbonylContact O-C 3.58Å; Y147-V158 VanDerWaalsContact O-CA 3.24Å; Y147-V158 WeakPolarHBondContact O-CA 3.46Å; M148-V158 HydrophobicContact CB-CG1 3.98Å |
| 159 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 150.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I4 F5 M28 Y147 E161 A164 L165 | I4-A159 CarbonylContact O-C 3.51Å; I4-A159 VanDerWaalsContact O-CA 3.28Å; I4-A159 WeakPolarHBondContact O-CA 3.39Å; F5-A159 HydrophobicContact CD2-CB 3.96Å; M28-A159 HydrophobicContact CE-CB 4.04Å; M28-A159 HydrophobicContact SD-CB 4.19Å; Y147-A159 PolarHBondContact N-O 2.9Å; Y147-A159 PolarHBondContact O-N 3.07Å; A159-E161 PolarHBondContact O-N 3.23Å; A159-A164 HydrophobicContact CB-CB 3.89Å; A159-L165 HydrophobicContact CB-CD1 4.32Å; A159-L165 HydrophobicContact CB-CD2 3.64Å; A159-L165 HydrophobicContact CB-CG 3.8Å |
| 160 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -64.7 | -24.6 | 174.5 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | I4 N75 P145 | I4-S160 PolarHBondContact N-OG 3.12Å; I4-S160 PolarHBondContact O-N 2.83Å; N75-S160 PolarHBondContact ND2-OG 3Å; P145-S160 CarbonylContact C-O 3.59Å; P145-S160 WeakPolarHBondContact CB-O 3.35Å; P145-S160 WeakPolarHBondContact CG-O 3.33Å; P145-S160 WeakPolarHBondContact O-CA 3.18Å |
| 161 | E | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -135 | 138.4 | 179.3 | -63 | -173.8 | 169.2 | 0 | 0 | 110.5 | M28 H30 R31 A159 K163 A164 E317 | M28-E161 HydrophobicContact CG-CB 3.93Å; M28-E161 HydrophobicContact CG-CG 4.3Å; M28-E161 HydrophobicContact SD-CB 3.8Å; M28-E161 HydrophobicContact SD-CG 4.26Å; M28-E161 PolarHBondContact SD-N 3.44Å; M28-E161 VanDerWaalsContact SD-N 3.35Å; H30-E161 IonicContact CE1-OE1 3.84Å; H30-E161 IonicContact CE1-OE2 3.31Å; H30-E161 PolarHBondContact CE1-OE2 2.91Å; H30-E161 IonicContact NE2-OE1 3.67Å; H30-E161 PolarHBondContact NE2-OE1 3.3Å; H30-E161 VanDerWaalsContact NE2-OE1 3.08Å; H30-E161 IonicContact NE2-OE2 3.69Å; H30-E161 PolarHBondContact NE2-OE2 3.31Å; H30-E161 VanDerWaalsContact NE2-OE2 3.07Å; R31-E161 WeakPolarHBondContact CD-OE1 3.25Å; R31-E161 IonicContact CZ-OE1 3.56Å; R31-E161 IonicContact NE-OE1 3.39Å; R31-E161 IonicContact NH1-OE1 2.73Å; R31-E161 PolarHBondContact NH1-OE1 2.76Å; A159-E161 PolarHBondContact O-N 3.23Å; E161-K163 HydrophobicContact CB-CD 4.46Å; E161-K163 HydrophobicContact CB-CG 3.99Å; E161-K163 PolarHBondContact O-N 3.2Å; E161-K163 WeakPolarHBondContact OE2-CD 3.46Å; E161-K163 WeakPolarHBondContact OE2-CE 3.08Å; E161-K163 IonicContact OE2-NZ 3.3Å; E161-K163 PolarHBondContact OE2-NZ 3.27Å; E161-A164 PolarHBondContact O-N 3.18Å; E161-A164 VanDerWaalsContact O-N 3.17Å; E161-E317 WeakPolarHBondContact CA-OE2 3.36Å; E161-E317 WeakPolarHBondContact CB-OE1 3.34Å |
| 162 | M | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -59.7 | -32.1 | -176.4 | 174.6 | 170 | 73.7 | 0 | 0 | 112.9 | Y147 A164 L165 V166 I172 E317 F502 F506 A511 C514 | Y147-M162 HydrophobicContact CD1-CB 4.08Å; Y147-M162 HydrophobicContact CD2-CB 4.17Å; Y147-M162 HydrophobicContact CE1-CB 4.24Å; Y147-M162 HydrophobicContact CE2-CB 4.32Å; Y147-M162 HydrophobicContact CG-CB 4.05Å; M162-A164 PolarHBondContact O-N 2.77Å; M162-A164 VanDerWaalsContact O-N 3.12Å; M162-L165 WeakPolarHBondContact O-CA 3.34Å; M162-L165 WeakPolarHBondContact O-CB 3.3Å; M162-L165 PolarHBondContact O-N 3.14Å; M162-V166 HydrophobicContact CG-CG2 3.87Å; M162-V166 VanDerWaalsContact O-CG2 3.28Å; M162-V166 WeakPolarHBondContact O-CG2 3.43Å; M162-V166 PolarHBondContact O-N 3.27Å; M162-I172 HydrophobicContact CG-CD1 4.08Å; M162-I172 HydrophobicContact CG-CG2 4.06Å; M162-I172 HydrophobicContact SD-CG2 4.37Å; M162-E317 HydrophobicContact CE-CB 4.01Å; M162-E317 VanDerWaalsContact N-CD 3.27Å; M162-E317 PolarHBondContact N-OE1 3.15Å; M162-E317 PolarHBondContact N-OE2 3.31Å; M162-F502 HydrophobicContact CE-CE2 3.99Å; M162-F502 HydrophobicContact CE-CZ 3.8Å; M162-F506 HydrophobicContact CE-CB 4.23Å; M162-F506 HydrophobicContact CE-CD1 3.62Å; M162-F506 HydrophobicContact CE-CD2 4.35Å; M162-F506 HydrophobicContact CE-CE1 4.03Å; M162-F506 HydrophobicContact CE-CG 3.81Å; M162-A511 HydrophobicContact CE-CB 3.73Å; M162-A511 VanDerWaalsContact SD-CA 3.56Å; M162-A511 HydrophobicContact SD-CB 3.45Å; M162-A511 WeakPolarHBondContact SD-CB 3.36Å; M162-C514 HydrophobicContact SD-CB 4.34Å |
| 163 | K | 98 | Very high | 97.8 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -55.2 | -28 | 176.7 | 65.4 | -177.5 | 60 | 65 | 0 | 113.7 | L27 E161 L165 P167 Y314 H315 E317 F506 | L27-K163 HydrophobicContact CB-CG 4.39Å; L27-K163 WeakPolarHBondContact CD1-O 3.25Å; L27-K163 WeakPolarHBondContact O-CD 3.39Å; E161-K163 HydrophobicContact CB-CD 4.46Å; E161-K163 HydrophobicContact CB-CG 3.99Å; E161-K163 PolarHBondContact O-N 3.2Å; E161-K163 WeakPolarHBondContact OE2-CD 3.46Å; E161-K163 WeakPolarHBondContact OE2-CE 3.08Å; E161-K163 IonicContact OE2-NZ 3.3Å; E161-K163 PolarHBondContact OE2-NZ 3.27Å; K163-L165 VanDerWaalsContact C-N 3.3Å; K163-P167 VanDerWaalsContact O-CD 3.26Å; K163-P167 WeakPolarHBondContact O-CD 3.33Å; K163-Y314 HydrophobicContact CB-CE2 4.37Å; K163-Y314 HydrophobicContact CD-CE1 4.04Å; K163-Y314 HydrophobicContact CD-CE2 4.2Å; K163-Y314 WeakPolarHBondContact CE-O 3.44Å; K163-Y314 PolarHBondContact NZ-O 3.19Å; K163-Y314 VanDerWaalsContact NZ-O 3.13Å; K163-H315 PolarHBondContact NZ-O 3.18Å; K163-E317 WeakPolarHBondContact CB-OE1 3.49Å; K163-E317 WeakPolarHBondContact CG-OE1 3.41Å; K163-E317 PolarHBondContact N-OE1 2.65Å; K163-E317 VanDerWaalsContact NZ-CD 3.26Å; K163-E317 IonicContact NZ-OE1 3.52Å; K163-E317 PolarHBondContact NZ-OE1 3.38Å; K163-F506 HydrophobicContact CB-CE1 3.94Å |
| 164 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -76.9 | -19.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F5 M28 A159 E161 M162 | F5-A164 HydrophobicContact CD2-CB 3.96Å; F5-A164 HydrophobicContact CE2-CB 4.21Å; M28-A164 HydrophobicContact CE-CB 3.58Å; M28-A164 HydrophobicContact CG-CB 4.1Å; M28-A164 HydrophobicContact SD-CB 3.86Å; A159-A164 HydrophobicContact CB-CB 3.89Å; E161-A164 PolarHBondContact O-N 3.18Å; E161-A164 VanDerWaalsContact O-N 3.17Å; M162-A164 PolarHBondContact O-N 2.77Å; M162-A164 VanDerWaalsContact O-N 3.12Å |
| 165 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -32.9 | -179.5 | -57.2 | -172.7 | 0 | 0 | 0 | 112.4 | F5 A159 M162 K163 P167 V168 C169 I172 | F5-L165 HydrophobicContact CE2-CD2 4.08Å; A159-L165 HydrophobicContact CB-CD1 4.32Å; A159-L165 HydrophobicContact CB-CD2 3.64Å; A159-L165 HydrophobicContact CB-CG 3.8Å; M162-L165 WeakPolarHBondContact O-CA 3.34Å; M162-L165 WeakPolarHBondContact O-CB 3.3Å; M162-L165 PolarHBondContact O-N 3.14Å; K163-L165 VanDerWaalsContact C-N 3.3Å; L165-P167 VanDerWaalsContact C-CD 3.42Å; L165-P167 VanDerWaalsContact C-N 3.32Å; L165-V168 WeakPolarHBondContact O-CG1 3.34Å; L165-V168 PolarHBondContact O-N 2.86Å; L165-C169 HydrophobicContact CB-CB 4.39Å; L165-C169 WeakPolarHBondContact O-CB 3.32Å; L165-C169 PolarHBondContact O-N 3.1Å; L165-I172 HydrophobicContact CB-CD1 3.67Å; L165-I172 HydrophobicContact CB-CG1 3.97Å; L165-I172 HydrophobicContact CD1-CG2 4.1Å |
| 166 | V | 97.9 | Very high | 98 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -41.3 | -177.2 | 172.7 | 0 | 0 | 0 | 0 | 114.1 | M162 V168 I172 F506 L508 | M162-V166 HydrophobicContact CG-CG2 3.87Å; M162-V166 VanDerWaalsContact O-CG2 3.28Å; M162-V166 WeakPolarHBondContact O-CG2 3.43Å; M162-V166 PolarHBondContact O-N 3.27Å; V166-V168 PolarHBondContact O-N 3.4Å; V166-I172 HydrophobicContact CB-CD1 4.45Å; V166-I172 HydrophobicContact CG2-CD1 3.81Å; V166-F506 HydrophobicContact CG2-CD1 3.81Å; V166-L508 HydrophobicContact CB-CD1 4.26Å; V166-L508 HydrophobicContact CG1-CD1 4.09Å; V166-L508 HydrophobicContact CG1-CG 4.4Å; V166-L508 HydrophobicContact CG2-CD1 4.32Å |
| 167 | P | 97.4 | Very high | 98 | Very high | 75 Ų | 75 | 28.9 Ų | 28.9 | 49% | 0.487 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.1 | -178.5 | -19.7 | 33.5 | 0 | 0 | 0 | 115.2 | L24 L27 K163 L165 | L24-P167 HydrophobicContact CD2-CB 3.83Å; L24-P167 HydrophobicContact CD2-CG 3.84Å; L27-P167 HydrophobicContact CD1-CG 4.11Å; K163-P167 VanDerWaalsContact O-CD 3.26Å; K163-P167 WeakPolarHBondContact O-CD 3.33Å; L165-P167 VanDerWaalsContact C-CD 3.42Å; L165-P167 VanDerWaalsContact C-N 3.32Å |
| 168 | V | 97.7 | Very high | 97.9 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -35.7 | -170.7 | 68.3 | 0 | 0 | 0 | 0 | 114 | L24 D151 Y157 L165 V166 | L24-V168 HydrophobicContact CD1-CB 4.05Å; L24-V168 HydrophobicContact CD1-CG1 3.69Å; D151-V168 HydrophobicContact CB-CG2 4.18Å; Y157-V168 HydrophobicContact CD1-CG1 3.95Å; Y157-V168 HydrophobicContact CE1-CG1 3.84Å; Y157-V168 HydrophobicContact CE1-CG2 4.03Å; Y157-V168 HydrophobicContact CE2-CG2 4.39Å; Y157-V168 HydrophobicContact CG-CG1 4.42Å; Y157-V168 WeakPolarHBondContact OH-CG2 3.32Å; L165-V168 WeakPolarHBondContact O-CG1 3.34Å; L165-V168 PolarHBondContact O-N 2.86Å; V166-V168 PolarHBondContact O-N 3.4Å |
| 169 | C | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | trans | -80.9 | 142.8 | -177.9 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | Y150 L165 T171 I172 | Y150-C169 CarbonylContact O-C 3.56Å; Y150-C169 VanDerWaalsContact O-CA 3.29Å; Y150-C169 WeakPolarHBondContact O-CA 3.45Å; L165-C169 HydrophobicContact CB-CB 4.39Å; L165-C169 WeakPolarHBondContact O-CB 3.32Å; L165-C169 PolarHBondContact O-N 3.1Å; C169-T171 WeakPolarHBondContact CB-O 3.47Å; C169-I172 HydrophobicContact CB-CD1 4.3Å; C169-I172 HydrophobicContact CB-CG1 3.75Å | ||
| 170 | R | 97.1 | Very high | 97.9 | Very high | 162 Ų | 162 | 30 Ų | 30 | 61% | 0.611 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -83.6 | -29.5 | 172.1 | -61.2 | -57.7 | -174.3 | -175 | -1.4 | 112.2 | Y150 E152 | Y150-R170 PolarHBondContact O-N 3.3Å; E152-R170 HydrophobicContact CB-CG 4.4Å; E152-R170 IonicContact OE2-CZ 3.02Å; E152-R170 IonicContact OE2-NE 3.86Å; E152-R170 IonicContact OE2-NH2 3.08Å; E152-R170 PolarHBondContact OE2-NH2 2.76Å |
| 171 | T | 94.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 30.3 Ų | 30.3 | 48% | 0.479 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145.4 | 173.6 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | G149 Y150 C169 | G149-T171 WeakPolarHBondContact CA-O 3.34Å; Y150-T171 PolarHBondContact N-O 2.9Å; C169-T171 WeakPolarHBondContact CB-O 3.47Å |
| 172 | I | 97.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.6 | 179 | -59.6 | 166.4 | 0 | 0 | 0 | 108 | Y147 M148 M162 L165 V166 C169 L508 S510 | Y147-I172 HydrophobicContact CD1-CG2 4.43Å; M148-I172 CarbonylContact O-C 3.56Å; M148-I172 WeakPolarHBondContact O-CA 3.49Å; M162-I172 HydrophobicContact CG-CD1 4.08Å; M162-I172 HydrophobicContact CG-CG2 4.06Å; M162-I172 HydrophobicContact SD-CG2 4.37Å; L165-I172 HydrophobicContact CB-CD1 3.67Å; L165-I172 HydrophobicContact CB-CG1 3.97Å; L165-I172 HydrophobicContact CD1-CG2 4.1Å; V166-I172 HydrophobicContact CB-CD1 4.45Å; V166-I172 HydrophobicContact CG2-CD1 3.81Å; C169-I172 HydrophobicContact CB-CD1 4.3Å; C169-I172 HydrophobicContact CB-CG1 3.75Å; I172-L508 HydrophobicContact CD1-CD1 3.65Å; I172-L508 HydrophobicContact CG1-CD1 4.4Å; I172-S510 PolarHBondContact N-OG 2.63Å; I172-S510 VanDerWaalsContact O-CB 3.32Å; I172-S510 WeakPolarHBondContact O-CB 3.44Å; I172-S510 PolarHBondContact O-OG 2.84Å |
| 173 | K | 97.8 | Very high | 98 | Very high | 107 Ų | 107 | 32.2 Ų | 32.2 | 47% | 0.465 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159.3 | 168.2 | 63.3 | -178.5 | -176.6 | 178.8 | 0 | 109.7 | Y147 M148 | Y147-K173 WeakPolarHBondContact CA-O 3.23Å; M148-K173 HydrophobicContact CG-CD 4.34Å; M148-K173 HydrophobicContact CG-CG 3.64Å; M148-K173 PolarHBondContact N-O 3.42Å; M148-K173 PolarHBondContact O-N 3.25Å; M148-K173 HydrophobicContact SD-CD 4.42Å; M148-K173 WeakPolarHBondContact SD-CE 3.33Å; M148-K173 HydrophobicContact SD-CG 4.33Å |
| 174 | E | 97.8 | Very high | 97.9 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 138.4 | 166.9 | -165.9 | 173.5 | -172.5 | 0 | 0 | 110.2 | R138 L146 Y147 H382 | R138-E174 IonicContact CZ-OE1 3.77Å; R138-E174 VanDerWaalsContact CZ-OE1 3.22Å; R138-E174 VanDerWaalsContact NH1-CD 3.28Å; R138-E174 VanDerWaalsContact NH1-CG 3.3Å; R138-E174 IonicContact NH1-OE1 3.11Å; R138-E174 PolarHBondContact NH1-OE1 2.97Å; R138-E174 IonicContact NH2-OE1 2.63Å; R138-E174 PolarHBondContact NH2-OE1 3.19Å; L146-E174 WeakPolarHBondContact O-CG 3.45Å; Y147-E174 HydrophobicContact CD1-CB 4.18Å; Y147-E174 HydrophobicContact CD1-CG 4.39Å; Y147-E174 HydrophobicContact CE1-CB 4.07Å; Y147-E174 HydrophobicContact CE1-CG 4.13Å; E174-H382 IonicContact OE1-CD2 3.36Å; E174-H382 PolarHBondContact OE1-CD2 3.32Å; E174-H382 VanDerWaalsContact OE1-CD2 3.26Å; E174-H382 IonicContact OE2-CD2 3.76Å; E174-H382 PolarHBondContact OE2-CD2 3.45Å; E174-H382 IonicContact OE2-NE2 2.73Å |
| 175 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 123.7 | 172 | -171 | -80.5 | 0 | 0 | 0 | 108.6 | I136 R138 L146 M148 L181 I188 | I136-F175 HydrophobicContact CB-CE2 4.02Å; I136-F175 HydrophobicContact CB-CZ 4.22Å; I136-F175 HydrophobicContact CG2-CD2 3.91Å; I136-F175 HydrophobicContact CG2-CE1 4.4Å; I136-F175 HydrophobicContact CG2-CE2 3.51Å; I136-F175 HydrophobicContact CG2-CZ 3.78Å; R138-F175 HydrophobicContact CB-CD1 3.8Å; R138-F175 HydrophobicContact CB-CE1 4.09Å; R138-F175 WeakPolarHBondContact CD-O 3.4Å; R138-F175 PolarHBondContact NH1-O 2.88Å; L146-F175 HydrophobicContact CB-CB 4Å; L146-F175 HydrophobicContact CD2-CB 3.78Å; L146-F175 HydrophobicContact CD2-CD1 3.81Å; L146-F175 HydrophobicContact CD2-CD2 4.2Å; L146-F175 HydrophobicContact CD2-CE1 4.45Å; L146-F175 HydrophobicContact CD2-CG 3.66Å; L146-F175 HydrophobicContact CG-CB 3.74Å; L146-F175 HydrophobicContact CG-CG 4.18Å; L146-F175 WeakPolarHBondContact O-CB 3.36Å; L146-F175 PolarHBondContact O-N 3.4Å; M148-F175 HydrophobicContact CG-CD2 4.47Å; M148-F175 HydrophobicContact SD-CD2 3.69Å; M148-F175 HydrophobicContact SD-CE2 4.32Å; F175-L181 HydrophobicContact CE2-CB 3.89Å; F175-L181 HydrophobicContact CZ-CB 4.01Å; F175-I188 HydrophobicContact CE2-CD1 4.28Å; F175-I188 HydrophobicContact CE2-CG1 4.47Å; F175-I188 HydrophobicContact CZ-CG2 4.42Å |
| 176 | P | 98.2 | Very high | 97.6 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -56.5 | 142.2 | -171.4 | -26.8 | 35.2 | 0 | 0 | 0 | 114.2 | S179 I188 | P176-S179 WeakPolarHBondContact O-CB 3.36Å; P176-I188 HydrophobicContact CG-CD1 4.41Å; P176-I188 HydrophobicContact CG-CG2 4.12Å |
| 177 | A | 98.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 48 Ų | 48 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 153.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S179 | A177-S179 PolarHBondContact O-N 2.86Å; A177-S179 VanDerWaalsContact O-N 3.15Å; A177-S179 PolarHBondContact O-OG 2.94Å |
| 178 | G | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 29.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D139 S190 Y191 Y192 | D139-G178 WeakPolarHBondContact O-CA 3.45Å; D139-G178 PolarHBondContact O-N 3.33Å; G178-S190 WeakPolarHBondContact O-CA 3.3Å; G178-Y191 WeakPolarHBondContact O-CD1 3.38Å; G178-Y191 PolarHBondContact O-N 3.1Å; G178-Y192 PolarHBondContact O-N 2.76Å |
| 179 | S | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 162 | -168.9 | -58.5 | 0 | 0 | 0 | 0 | 113 | R138 P176 A177 R189 Y191 | R138-S179 PolarHBondContact N-O 3.36Å; P176-S179 WeakPolarHBondContact O-CB 3.36Å; A177-S179 PolarHBondContact O-N 2.86Å; A177-S179 VanDerWaalsContact O-N 3.15Å; A177-S179 PolarHBondContact O-OG 2.94Å; S179-R189 CarbonylContact C-O 3.58Å; S179-R189 WeakPolarHBondContact CA-O 3.43Å; S179-R189 WeakPolarHBondContact CB-O 3.29Å; S179-Y191 VanDerWaalsContact N-CE1 3.31Å |
| 180 | Y | 98.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.4 | 171.7 | 71.2 | -83.9 | 0 | 0 | 0 | 112.2 | P112 L115 L135 I136 W182 I188 R189 Y191 | P112-Y180 HydrophobicContact CB-CD2 4.29Å; P112-Y180 HydrophobicContact CB-CE2 3.96Å; L115-Y180 HydrophobicContact CD1-CD1 4.41Å; L115-Y180 HydrophobicContact CD1-CG 4.26Å; L115-Y180 HydrophobicContact CD2-CG 4.47Å; L135-Y180 HydrophobicContact CD1-CD2 3.67Å; L135-Y180 HydrophobicContact CD1-CG 4.26Å; I136-Y180 CarbonylContact O-C 3.5Å; I136-Y180 WeakPolarHBondContact O-CA 3.12Å; I136-Y180 WeakPolarHBondContact O-CB 3.46Å; Y180-W182 HydrophobicContact CD2-CB 4.24Å; Y180-W182 HydrophobicContact CE2-CB 4.09Å; Y180-I188 CarbonylContact O-C 3.55Å; Y180-I188 VanDerWaalsContact O-CA 3.29Å; Y180-I188 WeakPolarHBondContact O-CA 3.42Å; Y180-R189 HydrophobicContact CD1-CB 4.33Å; Y180-R189 WeakPolarHBondContact CD1-O 3.26Å; Y180-R189 HydrophobicContact CE1-CB 3.78Å; Y180-R189 PolarHBondContact N-O 3.07Å; Y180-R189 PolarHBondContact O-N 2.95Å; Y180-Y191 HydrophobicContact CD1-CD1 4.18Å |
| 181 | L | 98.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.1 | 169.9 | 173.7 | 62.6 | 0 | 0 | 0 | 107.8 | Y134 L135 I136 M148 L156 F175 E187 I188 | Y134-L181 HydrophobicContact CE2-CD2 4.07Å; Y134-L181 HydrophobicContact CE2-CG 4.49Å; L135-L181 WeakPolarHBondContact CA-O 3.13Å; I136-L181 HydrophobicContact CB-CB 4.38Å; I136-L181 HydrophobicContact CD1-CD2 4.06Å; I136-L181 PolarHBondContact N-O 3.08Å; I136-L181 PolarHBondContact O-N 2.99Å; M148-L181 HydrophobicContact CE-CD2 4.5Å; L156-L181 HydrophobicContact CD2-CD2 4.02Å; F175-L181 HydrophobicContact CE2-CB 3.89Å; F175-L181 HydrophobicContact CZ-CB 4.01Å; L181-E187 WeakPolarHBondContact CD1-O 3.2Å; L181-I188 HydrophobicContact CB-CG1 4.21Å; L181-I188 HydrophobicContact CD1-CG1 4.23Å |
| 182 | W | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 43 Ų | 43 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.1 | 168 | 179.5 | -128.5 | 0 | 0 | 0 | 109.1 | Y107 P112 K131 A133 Y134 L135 Y180 Q184 D185 G186 | Y107-W182 HydrophobicContact CE2-CH2 4.12Å; Y107-W182 HydrophobicContact CE2-CZ3 4.01Å; Y107-W182 WeakPolarHBondContact OH-CH2 3.42Å; P112-W182 HydrophobicContact CB-CB 4.13Å; P112-W182 HydrophobicContact CB-CD2 4.29Å; P112-W182 HydrophobicContact CB-CG 4.1Å; P112-W182 HydrophobicContact CG-CB 4.37Å; P112-W182 HydrophobicContact CG-CD2 4.31Å; P112-W182 HydrophobicContact CG-CG 4Å; K131-W182 HydrophobicContact CD-CH2 4.41Å; K131-W182 HydrophobicContact CD-CZ2 4.28Å; A133-W182 HydrophobicContact CB-CH2 3.32Å; A133-W182 HydrophobicContact CB-CZ2 3.77Å; A133-W182 HydrophobicContact CB-CZ3 3.92Å; Y134-W182 WeakPolarHBondContact O-CZ3 3.48Å; L135-W182 HydrophobicContact CB-CE3 3.78Å; L135-W182 HydrophobicContact CB-CZ3 4.01Å; L135-W182 HydrophobicContact CD1-CB 4.35Å; L135-W182 HydrophobicContact CD1-CE3 4.31Å; Y180-W182 HydrophobicContact CD2-CB 4.24Å; Y180-W182 HydrophobicContact CE2-CB 4.09Å; W182-Q184 HydrophobicContact CZ2-CB 4.49Å; W182-Q184 VanDerWaalsContact CZ2-CD 3.47Å; W182-Q184 HydrophobicContact CZ2-CG 3.69Å; W182-Q184 PolarHBondContact O-N 3.35Å; W182-Q184 VanDerWaalsContact O-N 3.14Å; W182-D185 PolarHBondContact O-N 2.92Å; W182-G186 PolarHBondContact O-N 3.37Å |
| 183 | S | 98.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.2 | -169.9 | 69.5 | 0 | 0 | 0 | 0 | 114 | A133 Y134 D185 G186 | A133-S183 VanDerWaalsContact CA-OG 3.24Å; A133-S183 WeakPolarHBondContact CA-OG 3.49Å; A133-S183 WeakPolarHBondContact CB-OG 3.49Å; Y134-S183 VanDerWaalsContact CE1-CB 3.43Å; Y134-S183 VanDerWaalsContact CZ-CB 3.46Å; Y134-S183 PolarHBondContact N-OG 2.81Å; Y134-S183 PolarHBondContact O-N 2.97Å; S183-D185 VanDerWaalsContact C-N 3.31Å; S183-G186 PolarHBondContact O-N 3.23Å |
| 184 | Q | 97.5 | Very high | 97.8 | Very high | 116 Ų | 116 | 45 Ų | 45 | 54% | 0.542 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25.9 | 177.1 | -54.5 | -174.1 | -26.9 | 0 | 0 | 112.9 | A133 W182 | A133-Q184 HydrophobicContact CB-CG 3.95Å; W182-Q184 HydrophobicContact CZ2-CB 4.49Å; W182-Q184 VanDerWaalsContact CZ2-CD 3.47Å; W182-Q184 HydrophobicContact CZ2-CG 3.69Å; W182-Q184 PolarHBondContact O-N 3.35Å; W182-Q184 VanDerWaalsContact O-N 3.14Å |
| 185 | D | 95.2 | Very high | 97.8 | Very high | 67 Ų | 67 | 47.3 Ų | 47.3 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -28 | 174.1 | -69.7 | -14.4 | 0 | 0 | 0 | 111.2 | W182 S183 E187 R189 | W182-D185 PolarHBondContact O-N 2.92Å; S183-D185 VanDerWaalsContact C-N 3.31Å; D185-E187 PolarHBondContact O-N 3.37Å; D185-E187 VanDerWaalsContact O-N 3.14Å; D185-R189 IonicContact OD1-NH2 2.61Å; D185-R189 IonicContact OD2-CZ 2.79Å; D185-R189 IonicContact OD2-NE 2.82Å; D185-R189 IonicContact OD2-NH1 3.82Å; D185-R189 PolarHBondContact OD2-NH1 3.47Å; D185-R189 IonicContact OD2-NH2 3.73Å; D185-R189 PolarHBondContact OD2-NH2 2.97Å; D185-R189 VanDerWaalsContact OD2-NH2 3.16Å |
| 186 | G | 94.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 58% | 0.577 | 25% | 0.254 | S | S | * | . | trans | 71.3 | 0.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | W182 S183 | W182-G186 PolarHBondContact O-N 3.37Å; S183-G186 PolarHBondContact O-N 3.23Å | ||
| 187 | E | 96.7 | Very high | 97.8 | Very high | 125 Ų | 125 | 47.3 Ų | 47.3 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -117.8 | 146.5 | -176.4 | -66.4 | -177.3 | 168 | 0 | 0 | 111.8 | L181 D185 | L181-E187 WeakPolarHBondContact CD1-O 3.2Å; D185-E187 PolarHBondContact O-N 3.37Å; D185-E187 VanDerWaalsContact O-N 3.14Å |
| 188 | I | 98.4 | Very high | 97.8 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 122.3 | 170.6 | -58.9 | 175.5 | 0 | 0 | 0 | 108.1 | M148 F175 P176 Y180 L181 | M148-I188 HydrophobicContact CE-CD1 4.46Å; M148-I188 HydrophobicContact SD-CD1 3.77Å; F175-I188 HydrophobicContact CE2-CD1 4.28Å; F175-I188 HydrophobicContact CE2-CG1 4.47Å; F175-I188 HydrophobicContact CZ-CG2 4.42Å; P176-I188 HydrophobicContact CG-CD1 4.41Å; P176-I188 HydrophobicContact CG-CG2 4.12Å; Y180-I188 CarbonylContact O-C 3.55Å; Y180-I188 VanDerWaalsContact O-CA 3.29Å; Y180-I188 WeakPolarHBondContact O-CA 3.42Å; L181-I188 HydrophobicContact CB-CG1 4.21Å; L181-I188 HydrophobicContact CD1-CG1 4.23Å |
| 189 | R | 98.1 | Very high | 97.8 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.4 | 178.6 | -66.2 | -174.3 | 179.2 | 155 | 11.3 | 110.9 | S179 Y180 D185 | S179-R189 CarbonylContact C-O 3.58Å; S179-R189 WeakPolarHBondContact CA-O 3.43Å; S179-R189 WeakPolarHBondContact CB-O 3.29Å; Y180-R189 HydrophobicContact CD1-CB 4.33Å; Y180-R189 WeakPolarHBondContact CD1-O 3.26Å; Y180-R189 HydrophobicContact CE1-CB 3.78Å; Y180-R189 PolarHBondContact N-O 3.07Å; Y180-R189 PolarHBondContact O-N 2.95Å; D185-R189 IonicContact OD1-NH2 2.61Å; D185-R189 IonicContact OD2-CZ 2.79Å; D185-R189 IonicContact OD2-NE 2.82Å; D185-R189 IonicContact OD2-NH1 3.82Å; D185-R189 PolarHBondContact OD2-NH1 3.47Å; D185-R189 IonicContact OD2-NH2 3.73Å; D185-R189 PolarHBondContact OD2-NH2 2.97Å; D185-R189 VanDerWaalsContact OD2-NH2 3.16Å |
| 190 | S | 97.9 | Very high | 97.8 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.6 | 167 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | G178 H193 | G178-S190 WeakPolarHBondContact O-CA 3.3Å; S190-H193 PolarHBondContact OG-CE1 3.24Å; S190-H193 PolarHBondContact OG-NE2 3.47Å |
| 191 | Y | 98 | Very high | 97.8 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 12% | 0.122 | 30% | 0.303 | C | S | . | . | trans | -109.1 | -17.2 | 170.8 | 70.4 | -97.2 | 0 | 0 | 0 | 111.9 | L115 D116 F122 R138 D139 H140 G178 S179 Y180 H193 | L115-Y191 HydrophobicContact CB-CD1 3.72Å; L115-Y191 HydrophobicContact CB-CD2 3.92Å; L115-Y191 HydrophobicContact CB-CE1 3.69Å; L115-Y191 HydrophobicContact CB-CE2 3.91Å; L115-Y191 HydrophobicContact CB-CG 3.82Å; L115-Y191 HydrophobicContact CD2-CD1 3.75Å; L115-Y191 HydrophobicContact CD2-CE1 3.47Å; L115-Y191 VanDerWaalsContact CD2-CE1 3.47Å; L115-Y191 HydrophobicContact CG-CD1 4.35Å; L115-Y191 HydrophobicContact CG-CE1 4.25Å; D116-Y191 HydrophobicContact CB-CD2 3.86Å; D116-Y191 HydrophobicContact CB-CE2 4.37Å; F122-Y191 VanDerWaalsContact CZ-OH 3.32Å; F122-Y191 WeakPolarHBondContact CZ-OH 3.09Å; R138-Y191 VanDerWaalsContact O-CE1 3.29Å; R138-Y191 WeakPolarHBondContact O-CE1 3.46Å; R138-Y191 PolarHBondContact O-OH 2.82Å; D139-Y191 VanDerWaalsContact C-OH 3.3Å; D139-Y191 VanDerWaalsContact CA-OH 3.31Å; D139-Y191 WeakPolarHBondContact CA-OH 3.22Å; H140-Y191 PolarHBondContact N-OH 3.35Å; G178-Y191 WeakPolarHBondContact O-CD1 3.38Å; G178-Y191 PolarHBondContact O-N 3.1Å; S179-Y191 VanDerWaalsContact N-CE1 3.31Å; Y180-Y191 HydrophobicContact CD1-CD1 4.18Å; Y191-H193 PolarHBondContact O-N 3.11Å | ||
| 192 | Y | 97.7 | Very high | 97.8 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | trans | -94.3 | 100.6 | -173 | -171.6 | -118.2 | 0 | 0 | 0 | 111.7 | H140 L141 G178 R194 W196 F197 K407 | H140-Y192 HydrophobicContact CB-CD1 3.71Å; H140-Y192 HydrophobicContact CB-CD2 3.45Å; H140-Y192 VanDerWaalsContact CB-CD2 3.45Å; H140-Y192 HydrophobicContact CB-CE1 3.81Å; H140-Y192 HydrophobicContact CB-CE2 3.54Å; H140-Y192 HydrophobicContact CB-CG 3.52Å; H140-Y192 AromaticContact CD2-CZ 3.88Å; H140-Y192 WeakPolarHBondContact O-CD1 3.4Å; L141-Y192 HydrophobicContact CD2-CE1 4.27Å; G178-Y192 PolarHBondContact O-N 2.76Å; Y192-R194 HydrophobicContact CE1-CG 4.44Å; Y192-R194 HydrophobicContact CE2-CG 3.9Å; Y192-W196 WeakPolarHBondContact OH-CZ2 3.46Å; Y192-F197 AromaticContact CD1-CZ 3.89Å; Y192-F197 HydrophobicContact CD1-CZ 3.89Å; Y192-F197 HydrophobicContact CE1-CE1 4.16Å; Y192-F197 AromaticContact CE1-CZ 3.86Å; Y192-F197 HydrophobicContact CE1-CZ 3.86Å; Y192-K407 HydrophobicContact CD2-CD 4.49Å; Y192-K407 HydrophobicContact CE2-CD 3.96Å; Y192-K407 HydrophobicContact CE2-CG 3.94Å | ||
| 193 | H | 96.8 | Very high | 97.7 | Very high | 124 Ų | 124 | 60 Ų | 60 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | trans | -130.9 | 134.1 | 175.2 | -63.3 | -74.2 | 0 | 0 | 0 | 109.8 | S190 Y191 | S190-H193 PolarHBondContact OG-CE1 3.24Å; S190-H193 PolarHBondContact OG-NE2 3.47Å; Y191-H193 PolarHBondContact O-N 3.11Å | ||
| 194 | R | 97.9 | Very high | 97.7 | Very high | 34 Ų | 34 | 64.9 Ų | 64.9 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | trans | -132.4 | 146.2 | -179.7 | -63.5 | -63.8 | -177.8 | -93 | 7.7 | 110.8 | D116 Y192 W196 F197 K407 D411 | D116-R194 VanDerWaalsContact CG-NH2 3.31Å; D116-R194 IonicContact OD1-CZ 2.8Å; D116-R194 IonicContact OD1-NH1 3.69Å; D116-R194 IonicContact OD1-NH2 3.41Å; D116-R194 PolarHBondContact OD1-NH2 3.39Å; D116-R194 IonicContact OD2-CZ 3.7Å; D116-R194 IonicContact OD2-NH1 3.84Å; D116-R194 PolarHBondContact OD2-NH1 3.33Å; D116-R194 IonicContact OD2-NH2 3.9Å; D116-R194 PolarHBondContact OD2-NH2 3.03Å; Y192-R194 HydrophobicContact CE1-CG 4.44Å; Y192-R194 HydrophobicContact CE2-CG 3.9Å; R194-W196 VanDerWaalsContact C-N 3.28Å; R194-W196 HydrophobicContact CB-CD2 3.88Å; R194-W196 VanDerWaalsContact CB-CE2 3.47Å; R194-W196 HydrophobicContact CB-CG 4.05Å; R194-W196 HydrophobicContact CB-CZ2 3.98Å; R194-W196 HydrophobicContact CG-CZ2 3.78Å; R194-W196 PolarHBondContact O-N 3.46Å; R194-F197 HydrophobicContact CB-CD1 3.96Å; R194-F197 HydrophobicContact CB-CE1 3.87Å; R194-F197 HydrophobicContact CB-CZ 4.36Å; R194-F197 HydrophobicContact CG-CE1 4.25Å; R194-F197 WeakPolarHBondContact O-CB 3.43Å; R194-F197 WeakPolarHBondContact O-CG 3.23Å; R194-F197 PolarHBondContact O-N 3.06Å; R194-K407 VanDerWaalsContact NH2-CD 3.3Å; R194-D411 VanDerWaalsContact CD-OD1 3.27Å; R194-D411 WeakPolarHBondContact CD-OD1 3.5Å; R194-D411 IonicContact NE-OD1 2.79Å; R194-D411 PolarHBondContact NE-OD1 3.01Å; R194-D411 IonicContact NE-OD2 3.98Å | ||
| 195 | D | 98 | Very high | 97.8 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58 | -41.6 | 174.6 | 58.4 | -29.8 | 0 | 0 | 0 | 111.6 | F197 D198 A201 R415 | D195-F197 PolarHBondContact O-N 3.45Å; D195-D198 PolarHBondContact O-N 3.19Å; D195-A201 HydrophobicContact CB-CB 4.38Å; D195-A201 WeakPolarHBondContact O-CB 3.23Å; D195-R415 IonicContact OD1-CZ 3.6Å; D195-R415 VanDerWaalsContact OD1-CZ 3.31Å; D195-R415 IonicContact OD1-NE 2.76Å; D195-R415 PolarHBondContact OD1-NE 2.81Å; D195-R415 VanDerWaalsContact OD1-NE 3.14Å; D195-R415 IonicContact OD1-NH2 3.91Å; D195-R415 PolarHBondContact OD1-NH2 2.79Å; D195-R415 IonicContact OD2-CZ 3.92Å; D195-R415 IonicContact OD2-NE 3.26Å; D195-R415 PolarHBondContact OD2-NE 2.85Å; D195-R415 IonicContact OD2-NH2 3.12Å; D195-R415 PolarHBondContact OD2-NH2 2.92Å |
| 196 | W | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -67.6 | -2 | 179.9 | 57.3 | -104.9 | 0 | 0 | 0 | 114.5 | Y192 R194 D198 V202 H371 V375 L378 L410 D411 M414 R415 | Y192-W196 WeakPolarHBondContact OH-CZ2 3.46Å; R194-W196 VanDerWaalsContact C-N 3.28Å; R194-W196 HydrophobicContact CB-CD2 3.88Å; R194-W196 VanDerWaalsContact CB-CE2 3.47Å; R194-W196 HydrophobicContact CB-CG 4.05Å; R194-W196 HydrophobicContact CB-CZ2 3.98Å; R194-W196 HydrophobicContact CG-CZ2 3.78Å; R194-W196 PolarHBondContact O-N 3.46Å; W196-D198 PolarHBondContact O-N 3.25Å; W196-V202 HydrophobicContact CB-CG1 3.81Å; W196-H371 PolarHBondContact O-CE1 3.47Å; W196-H371 VanDerWaalsContact O-CE1 3.28Å; W196-H371 PolarHBondContact O-NE2 2.63Å; W196-V375 HydrophobicContact CE3-CG2 4.33Å; W196-V375 HydrophobicContact CZ3-CG2 4.4Å; W196-L378 HydrophobicContact CH2-CD1 4.37Å; W196-L378 HydrophobicContact CZ3-CD1 4.19Å; W196-L410 HydrophobicContact CZ2-CB 4.18Å; W196-D411 PolarHBondContact NE1-OD1 3.05Å; W196-M414 HydrophobicContact CB-CB 3.97Å; W196-M414 HydrophobicContact CD2-CB 3.37Å; W196-M414 HydrophobicContact CD2-CG 4Å; W196-M414 HydrophobicContact CE3-CB 3.46Å; W196-M414 VanDerWaalsContact CE3-CB 3.46Å; W196-M414 HydrophobicContact CE3-CE 4Å; W196-M414 HydrophobicContact CE3-CG 3.74Å; W196-M414 HydrophobicContact CG-CB 3.6Å; W196-M414 HydrophobicContact CH2-CG 4.13Å; W196-M414 HydrophobicContact CZ2-CB 4.47Å; W196-M414 HydrophobicContact CZ2-CG 4.34Å; W196-M414 HydrophobicContact CZ3-CB 4.1Å; W196-M414 HydrophobicContact CZ3-CE 4.07Å; W196-M414 HydrophobicContact CZ3-CG 3.83Å; W196-R415 HydrophobicContact CB-CG 4.03Å; W196-R415 HydrophobicContact CG-CG 4.44Å |
| 197 | F | 98.4 | Very high | 98.1 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 23% | 0.232 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -64 | -31.3 | 166.3 | -70.6 | 1.2 | 0 | 0 | 0 | 111.4 | Y192 R194 D195 V375 L379 | Y192-F197 AromaticContact CD1-CZ 3.89Å; Y192-F197 HydrophobicContact CD1-CZ 3.89Å; Y192-F197 HydrophobicContact CE1-CE1 4.16Å; Y192-F197 AromaticContact CE1-CZ 3.86Å; Y192-F197 HydrophobicContact CE1-CZ 3.86Å; R194-F197 HydrophobicContact CB-CD1 3.96Å; R194-F197 HydrophobicContact CB-CE1 3.87Å; R194-F197 HydrophobicContact CB-CZ 4.36Å; R194-F197 HydrophobicContact CG-CE1 4.25Å; R194-F197 WeakPolarHBondContact O-CB 3.43Å; R194-F197 WeakPolarHBondContact O-CG 3.23Å; R194-F197 PolarHBondContact O-N 3.06Å; D195-F197 PolarHBondContact O-N 3.45Å; F197-V375 HydrophobicContact CB-CG1 4.42Å; F197-V375 HydrophobicContact CD1-CG1 4.22Å; F197-V375 HydrophobicContact CG-CG1 4.4Å; F197-L379 HydrophobicContact CE1-CD2 4.35Å; F197-L379 HydrophobicContact CZ-CD2 3.93Å |
| 198 | D | 98.2 | Very high | 98.2 | Very high | 89 Ų | 89 | 61.9 Ų | 61.9 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -92.9 | 127.4 | 177.6 | -167.4 | -17.9 | 0 | 0 | 0 | 110.4 | D195 W196 D200 A201 | D195-D198 PolarHBondContact O-N 3.19Å; W196-D198 PolarHBondContact O-N 3.25Å; D198-D200 PolarHBondContact O-N 3.01Å; D198-D200 PolarHBondContact OD1-N 3.47Å; D198-A201 PolarHBondContact O-N 3.39Å |
| 199 | Y | 98.5 | Very high | 98.2 | Very high | 44 Ų | 44 | 62.9 Ų | 62.9 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -58 | -37.1 | 174.1 | 172.2 | -104 | 0 | 0 | 0 | 112.3 | A201 V202 K203 A367 K368 H371 P418 | Y199-A201 PolarHBondContact O-N 3.04Å; Y199-V202 WeakPolarHBondContact O-CG2 3.47Å; Y199-V202 PolarHBondContact O-N 3.37Å; Y199-K203 HydrophobicContact CD1-CB 4.09Å; Y199-K203 HydrophobicContact CD1-CD 4.3Å; Y199-K203 HydrophobicContact CD2-CB 4.28Å; Y199-K203 HydrophobicContact CE1-CB 3.52Å; Y199-K203 HydrophobicContact CE1-CD 3.83Å; Y199-K203 HydrophobicContact CE1-CG 4.28Å; Y199-K203 HydrophobicContact CE2-CB 3.74Å; Y199-K203 HydrophobicContact CG-CB 4.45Å; Y199-K203 WeakPolarHBondContact O-CB 3.11Å; Y199-K203 PolarHBondContact O-N 3.1Å; Y199-A367 HydrophobicContact CE2-CB 4.25Å; Y199-K368 HydrophobicContact CD1-CB 3.82Å; Y199-K368 HydrophobicContact CD1-CD 3.92Å; Y199-K368 HydrophobicContact CD1-CG 3.73Å; Y199-K368 HydrophobicContact CD2-CB 3.97Å; Y199-K368 HydrophobicContact CD2-CG 4.28Å; Y199-K368 HydrophobicContact CE1-CB 3.76Å; Y199-K368 HydrophobicContact CE1-CD 4.31Å; Y199-K368 HydrophobicContact CE1-CG 4.16Å; Y199-K368 HydrophobicContact CE2-CB 3.91Å; Y199-K368 HydrophobicContact CG-CB 3.9Å; Y199-K368 HydrophobicContact CG-CD 4.42Å; Y199-K368 HydrophobicContact CG-CG 3.77Å; Y199-H371 HydrophobicContact CD2-CB 3.94Å; Y199-P418 HydrophobicContact CD2-CG 4.1Å; Y199-P418 HydrophobicContact CE2-CB 4.22Å; Y199-P418 HydrophobicContact CE2-CG 4.04Å |
| 200 | D | 98.5 | Very high | 98.2 | Very high | 91 Ų | 91 | 63.4 Ų | 63.4 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -65.4 | -22.2 | -177.1 | -80 | -36.3 | 0 | 0 | 0 | 112.8 | D198 V202 K203 | D198-D200 PolarHBondContact O-N 3.01Å; D198-D200 PolarHBondContact OD1-N 3.47Å; D200-V202 VanDerWaalsContact C-N 3.33Å; D200-K203 WeakPolarHBondContact OD1-CE 3.47Å; D200-K203 IonicContact OD1-NZ 4Å; D200-K203 PolarHBondContact OD1-NZ 3.14Å |
| 201 | A | 98.6 | Very high | 98.3 | Very high | 43 Ų | 43 | 65.9 Ų | 65.9 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -77.7 | -14.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | D195 D198 Y199 | D195-A201 HydrophobicContact CB-CB 4.38Å; D195-A201 WeakPolarHBondContact O-CB 3.23Å; D198-A201 PolarHBondContact O-N 3.39Å; Y199-A201 PolarHBondContact O-N 3.04Å |
| 202 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | -15.8 | -171.1 | -58.8 | 0 | 0 | 0 | 0 | 115.2 | W196 Y199 D200 D204 N205 R415 P418 | W196-V202 HydrophobicContact CB-CG1 3.81Å; Y199-V202 WeakPolarHBondContact O-CG2 3.47Å; Y199-V202 PolarHBondContact O-N 3.37Å; D200-V202 VanDerWaalsContact C-N 3.33Å; V202-D204 PolarHBondContact O-N 3.42Å; V202-D204 VanDerWaalsContact O-N 3.12Å; V202-N205 WeakPolarHBondContact O-CB 3.46Å; V202-N205 PolarHBondContact O-N 3.28Å; V202-N205 VanDerWaalsContact O-N 3.1Å; V202-R415 HydrophobicContact CG1-CG 4.37Å; V202-P418 HydrophobicContact CG2-CG 3.67Å |
| 203 | K | 98.5 | Very high | 98.3 | Very high | 70 Ų | 70 | 66.9 Ų | 66.9 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31 | -174.1 | 68.1 | -177.3 | 176.2 | -166.5 | 0 | 115 | Y199 D200 N417 | Y199-K203 HydrophobicContact CD1-CB 4.09Å; Y199-K203 HydrophobicContact CD1-CD 4.3Å; Y199-K203 HydrophobicContact CD2-CB 4.28Å; Y199-K203 HydrophobicContact CE1-CB 3.52Å; Y199-K203 HydrophobicContact CE1-CD 3.83Å; Y199-K203 HydrophobicContact CE1-CG 4.28Å; Y199-K203 HydrophobicContact CE2-CB 3.74Å; Y199-K203 HydrophobicContact CG-CB 4.45Å; Y199-K203 WeakPolarHBondContact O-CB 3.11Å; Y199-K203 PolarHBondContact O-N 3.1Å; D200-K203 WeakPolarHBondContact OD1-CE 3.47Å; D200-K203 IonicContact OD1-NZ 4Å; D200-K203 PolarHBondContact OD1-NZ 3.14Å; K203-N417 PolarHBondContact O-ND2 3.23Å |
| 204 | D | 98.4 | Very high | 98.4 | Very high | 131 Ų | 131 | 65.2 Ų | 65.2 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 4.1 | -175.8 | -62.1 | -48.2 | 0 | 0 | 0 | 112.6 | V202 | V202-D204 PolarHBondContact O-N 3.42Å; V202-D204 VanDerWaalsContact O-N 3.12Å |
| 205 | N | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 156 | -180 | -71.6 | -6.6 | 0 | 0 | 0 | 111.2 | V202 R415 N417 | V202-N205 WeakPolarHBondContact O-CB 3.46Å; V202-N205 PolarHBondContact O-N 3.28Å; V202-N205 VanDerWaalsContact O-N 3.1Å; N205-R415 VanDerWaalsContact CB-O 3.25Å; N205-R415 WeakPolarHBondContact CB-O 3.3Å; N205-R415 PolarHBondContact ND2-O 2.93Å; N205-N417 WeakPolarHBondContact O-CB 3.31Å; N205-N417 PolarHBondContact O-ND2 3.37Å |
| 206 | V | 98.3 | Very high | 98.5 | Very high | 139 Ų | 139 | 60.6 Ų | 60.6 | 84% | 0.842 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 125.2 | 173.7 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | D208 | V206-D208 PolarHBondContact O-N 3.05Š|
| 207 | T | 98.5 | Very high | 98.5 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 15% | 0.153 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 119.6 | 178.7 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | I416 N417 D420 I432 | T207-I416 HydrophobicContact CG2-CB 3.91Å; T207-I416 HydrophobicContact CG2-CD1 4.47Å; T207-I416 HydrophobicContact CG2-CG2 4.13Å; T207-N417 PolarHBondContact OG1-N 2.69Å; T207-D420 WeakPolarHBondContact CB-OD2 3.42Å; T207-D420 PolarHBondContact OG1-OD2 3.45Å; T207-I432 HydrophobicContact CG2-CD1 3.96Å; T207-I432 HydrophobicContact CG2-CG1 4.1Å |
| 208 | D | 98.4 | Very high | 98.5 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | trans | -98.2 | 108.4 | 167.9 | -170.8 | -26.2 | 0 | 0 | 0 | 110.5 | V206 N210 E211 L212 | V206-D208 PolarHBondContact O-N 3.05Å; D208-N210 VanDerWaalsContact C-N 3.28Å; D208-N210 PolarHBondContact O-N 3.3Å; D208-N210 WeakPolarHBondContact OD1-CA 3.29Å; D208-N210 WeakPolarHBondContact OD1-CB 3.41Å; D208-N210 PolarHBondContact OD1-N 3.1Å; D208-E211 HydrophobicContact CB-CB 3.79Å; D208-E211 PolarHBondContact O-N 3.42Å; D208-E211 PolarHBondContact OD1-N 2.87Å; D208-E211 VanDerWaalsContact OD1-N 3.11Å; D208-L212 WeakPolarHBondContact O-CB 3.45Å; D208-L212 PolarHBondContact O-N 2.96Å | ||
| 209 | K | 98.3 | Very high | 98.5 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.2 | -30.6 | 178 | -69.4 | -179.2 | 179.2 | 179.7 | 0 | 112.8 | R213 I432 E435 | K209-R213 WeakPolarHBondContact O-CB 3.49Å; K209-R213 PolarHBondContact O-N 2.61Å; K209-I432 HydrophobicContact CD-CD1 4.06Å; K209-I432 HydrophobicContact CG-CD1 3.68Å; K209-E435 VanDerWaalsContact CE-OE2 3.26Å; K209-E435 WeakPolarHBondContact CE-OE2 3.49Å; K209-E435 IonicContact NZ-OE1 3.99Å; K209-E435 PolarHBondContact NZ-OE1 2.79Å; K209-E435 IonicContact NZ-OE2 2.65Å; K209-E435 PolarHBondContact NZ-OE2 2.7Å |
| 210 | N | 98.4 | Very high | 98.5 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -75.4 | -41.5 | 179 | -65.2 | -34.2 | 0 | 0 | 0 | 110.8 | D208 R213 Q214 | D208-N210 VanDerWaalsContact C-N 3.28Å; D208-N210 PolarHBondContact O-N 3.3Å; D208-N210 WeakPolarHBondContact OD1-CA 3.29Å; D208-N210 WeakPolarHBondContact OD1-CB 3.41Å; D208-N210 PolarHBondContact OD1-N 3.1Å; N210-R213 PolarHBondContact O-N 3.46Å; N210-R213 PolarHBondContact OD1-NH1 2.76Å; N210-Q214 WeakPolarHBondContact O-CB 3.38Å; N210-Q214 PolarHBondContact O-N 2.75Å |
| 211 | E | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 54.8 Ų | 54.8 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 173.4 | -170.5 | -179.8 | -161.7 | 0 | 0 | 110.9 | D208 R213 Q214 A215 V412 | D208-E211 HydrophobicContact CB-CB 3.79Å; D208-E211 PolarHBondContact O-N 3.42Å; D208-E211 PolarHBondContact OD1-N 2.87Å; D208-E211 VanDerWaalsContact OD1-N 3.11Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 3.02Å; E211-Q214 PolarHBondContact O-N 2.89Å; E211-A215 VanDerWaalsContact O-CB 3.31Å; E211-A215 WeakPolarHBondContact O-CB 3.1Å; E211-A215 PolarHBondContact O-N 2.89Å; E211-V412 HydrophobicContact CG-CG1 3.95Å |
| 212 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.9 | -175.4 | 61.7 | 0 | 0 | 0 | 112.3 | D208 L216 F355 F409 V412 A413 I416 I432 | D208-L212 WeakPolarHBondContact O-CB 3.45Å; D208-L212 PolarHBondContact O-N 2.96Å; L212-L216 PolarHBondContact O-N 3.49Å; L212-F355 HydrophobicContact CD1-CE1 4.36Å; L212-F355 HydrophobicContact CD1-CZ 4.07Å; L212-F355 HydrophobicContact CD2-CE1 3.91Å; L212-F355 HydrophobicContact CD2-CZ 4.18Å; L212-F409 HydrophobicContact CD1-CE2 3.88Å; L212-F409 HydrophobicContact CD1-CZ 4.39Å; L212-V412 HydrophobicContact CD1-CG1 4.31Å; L212-A413 HydrophobicContact CD1-CB 3.69Å; L212-I416 HydrophobicContact CD2-CD1 4.28Å; L212-I432 HydrophobicContact CD2-CG1 4.35Å |
| 213 | R | 98.6 | Very high | 98.3 | Very high | 58 Ų | 58 | 54.7 Ų | 54.7 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 176.3 | -173.4 | -172.3 | -59.6 | 103.7 | 3.1 | 110.9 | K209 N210 E211 A215 L216 E217 C436 F437 | K209-R213 WeakPolarHBondContact O-CB 3.49Å; K209-R213 PolarHBondContact O-N 2.61Å; N210-R213 PolarHBondContact O-N 3.46Å; N210-R213 PolarHBondContact OD1-NH1 2.76Å; E211-R213 VanDerWaalsContact C-N 3.34Å; E211-R213 PolarHBondContact O-N 3.02Å; R213-A215 VanDerWaalsContact C-N 3.35Å; R213-A215 PolarHBondContact O-N 3.1Å; R213-L216 PolarHBondContact O-N 2.93Å; R213-E217 WeakPolarHBondContact O-CG 3.4Å; R213-E217 PolarHBondContact O-N 2.88Å; R213-C436 PolarHBondContact NE-O 2.83Å; R213-C436 PolarHBondContact NH2-O 3.05Å; R213-F437 HydrophobicContact CB-CZ 4.14Å; R213-F437 HydrophobicContact CG-CD1 4.35Å; R213-F437 HydrophobicContact CG-CE1 3.61Å; R213-F437 HydrophobicContact CG-CZ 3.73Å |
| 214 | Q | 98.7 | Very high | 98.1 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 42% | 0.416 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | -178.2 | -173 | 61.1 | 58.4 | 0 | 0 | 111.6 | N210 E211 L216 E217 D218 | N210-Q214 WeakPolarHBondContact O-CB 3.38Å; N210-Q214 PolarHBondContact O-N 2.75Å; E211-Q214 PolarHBondContact O-N 2.89Å; Q214-L216 VanDerWaalsContact C-N 3.32Å; Q214-L216 PolarHBondContact O-N 3.2Å; Q214-E217 WeakPolarHBondContact O-CB 3.25Å; Q214-E217 PolarHBondContact O-N 3.33Å; Q214-E217 VanDerWaalsContact O-N 3.15Å; Q214-D218 PolarHBondContact NE2-OD1 3.24Å; Q214-D218 WeakPolarHBondContact O-CB 3.34Å; Q214-D218 VanDerWaalsContact O-CG 3.25Å; Q214-D218 PolarHBondContact O-N 3.17Å |
| 215 | A | 98.8 | Very high | 97.9 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E211 R213 S219 F409 V412 | E211-A215 VanDerWaalsContact O-CB 3.31Å; E211-A215 WeakPolarHBondContact O-CB 3.1Å; E211-A215 PolarHBondContact O-N 2.89Å; R213-A215 VanDerWaalsContact C-N 3.35Å; R213-A215 PolarHBondContact O-N 3.1Å; A215-S219 WeakPolarHBondContact O-CB 3.4Å; A215-S219 PolarHBondContact O-N 3.38Å; A215-F409 HydrophobicContact CB-CD2 4.04Å; A215-V412 HydrophobicContact CB-CB 3.94Å; A215-V412 HydrophobicContact CB-CG1 3.98Å; A215-V412 HydrophobicContact CB-CG2 3.9Å |
| 216 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.2 | -36.9 | 175.2 | -171.1 | 59.6 | 0 | 0 | 0 | 111.8 | L212 R213 Q214 D218 S219 V220 I242 I243 I246 F404 F409 L433 F437 | L212-L216 PolarHBondContact O-N 3.49Å; R213-L216 PolarHBondContact O-N 2.93Å; Q214-L216 VanDerWaalsContact C-N 3.32Å; Q214-L216 PolarHBondContact O-N 3.2Å; L216-D218 VanDerWaalsContact C-N 3.35Å; L216-S219 PolarHBondContact O-N 2.89Å; L216-V220 HydrophobicContact CD1-CG2 4.47Å; L216-V220 WeakPolarHBondContact O-CG2 3.41Å; L216-V220 PolarHBondContact O-N 3.29Å; L216-I242 HydrophobicContact CD2-CG2 3.62Å; L216-I243 HydrophobicContact CD1-CD1 4.3Å; L216-I246 HydrophobicContact CB-CD1 4.4Å; L216-I246 HydrophobicContact CD2-CD1 3.87Å; L216-I246 HydrophobicContact CG-CD1 3.78Å; L216-F404 HydrophobicContact CD1-CD1 3.81Å; L216-F404 HydrophobicContact CD1-CE1 3.89Å; L216-F404 HydrophobicContact CD1-CG 4.3Å; L216-F404 HydrophobicContact CD1-CZ 4.44Å; L216-F404 HydrophobicContact CD2-CD1 4.25Å; L216-F404 HydrophobicContact CD2-CE1 3.48Å; L216-F404 VanDerWaalsContact CD2-CE1 3.48Å; L216-F404 HydrophobicContact CD2-CZ 3.8Å; L216-F404 HydrophobicContact CG-CE1 4.36Å; L216-F409 HydrophobicContact CB-CD2 3.85Å; L216-F409 HydrophobicContact CB-CE2 3.63Å; L216-F409 HydrophobicContact CB-CZ 4.45Å; L216-F409 HydrophobicContact CD1-CD1 4.43Å; L216-F409 HydrophobicContact CD1-CD2 4.04Å; L216-F409 HydrophobicContact CD1-CE1 4.29Å; L216-F409 HydrophobicContact CD1-CE2 3.89Å; L216-F409 HydrophobicContact CD1-CG 4.29Å; L216-F409 HydrophobicContact CD1-CZ 4Å; L216-F409 HydrophobicContact CG-CE2 4.22Å; L216-L433 HydrophobicContact CD2-CD1 4.45Å; L216-F437 HydrophobicContact CB-CE2 4.47Å; L216-F437 HydrophobicContact CB-CZ 3.91Å; L216-F437 HydrophobicContact CD2-CE1 4.43Å; L216-F437 HydrophobicContact CD2-CE2 3.69Å; L216-F437 HydrophobicContact CD2-CZ 3.63Å; L216-F437 HydrophobicContact CG-CZ 4.25Å |
| 217 | E | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -45 | 173.3 | -71.9 | -164.5 | 159 | 0 | 0 | 112.2 | R213 Q214 V220 K221 I246 K249 Y250 Y440 | R213-E217 WeakPolarHBondContact O-CG 3.4Å; R213-E217 PolarHBondContact O-N 2.88Å; Q214-E217 WeakPolarHBondContact O-CB 3.25Å; Q214-E217 PolarHBondContact O-N 3.33Å; Q214-E217 VanDerWaalsContact O-N 3.15Å; E217-V220 PolarHBondContact O-N 2.96Å; E217-K221 VanDerWaalsContact O-CB 3.26Å; E217-K221 WeakPolarHBondContact O-CB 3.32Å; E217-K221 PolarHBondContact O-N 2.6Å; E217-I246 HydrophobicContact CB-CG2 4.31Å; E217-I246 HydrophobicContact CG-CD1 4.37Å; E217-I246 HydrophobicContact CG-CG1 4.39Å; E217-I246 HydrophobicContact CG-CG2 4.08Å; E217-K249 IonicContact OE1-NZ 2.73Å; E217-K249 PolarHBondContact OE1-NZ 3.37Å; E217-K249 IonicContact OE2-NZ 3.76Å; E217-K249 PolarHBondContact OE2-NZ 2.83Å; E217-Y250 HydrophobicContact CB-CE2 4.26Å; E217-Y250 PolarHBondContact OE2-OH 2.91Å; E217-Y440 WeakPolarHBondContact OE1-CE1 3.47Å; E217-Y440 PolarHBondContact OE1-OH 2.8Å |
| 218 | D | 98.3 | Very high | 96.7 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.4 | -68.5 | -18 | 0 | 0 | 0 | 111.7 | Q214 L216 K221 S222 | Q214-D218 PolarHBondContact NE2-OD1 3.24Å; Q214-D218 WeakPolarHBondContact O-CB 3.34Å; Q214-D218 VanDerWaalsContact O-CG 3.25Å; Q214-D218 PolarHBondContact O-N 3.17Å; L216-D218 VanDerWaalsContact C-N 3.35Å; D218-K221 PolarHBondContact O-N 3.06Å; D218-S222 PolarHBondContact O-N 3.37Å |
| 219 | S | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -51.5 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | A215 L216 K221 S222 H223 P403 D406 | A215-S219 WeakPolarHBondContact O-CB 3.4Å; A215-S219 PolarHBondContact O-N 3.38Å; L216-S219 PolarHBondContact O-N 2.89Å; S219-K221 VanDerWaalsContact C-N 3.28Å; S219-K221 PolarHBondContact O-N 3.41Å; S219-S222 PolarHBondContact O-N 3.2Å; S219-S222 PolarHBondContact O-OG 3.37Å; S219-H223 PolarHBondContact O-N 3.01Å; S219-H223 VanDerWaalsContact O-N 3.1Å; S219-H223 PolarHBondContact O-ND1 3.35Å; S219-P403 WeakPolarHBondContact OG-CA 3.22Å; S219-P403 WeakPolarHBondContact OG-CB 3.4Å; S219-P403 PolarHBondContact OG-O 2.94Å; S219-D406 WeakPolarHBondContact OG-CB 3.19Å |
| 220 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -43 | 178 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | L216 E217 S222 H223 L224 I243 I246 T247 L346 P403 | L216-V220 HydrophobicContact CD1-CG2 4.47Å; L216-V220 WeakPolarHBondContact O-CG2 3.41Å; L216-V220 PolarHBondContact O-N 3.29Å; E217-V220 PolarHBondContact O-N 2.96Å; V220-S222 PolarHBondContact O-N 3.34Å; V220-H223 PolarHBondContact O-N 3.4Å; V220-L224 WeakPolarHBondContact O-CG 3.41Å; V220-L224 PolarHBondContact O-N 2.88Å; V220-I243 HydrophobicContact CG2-CD1 3.64Å; V220-I246 HydrophobicContact CB-CB 4.19Å; V220-I246 HydrophobicContact CB-CG2 3.5Å; V220-I246 VanDerWaalsContact CB-CG2 3.5Å; V220-I246 HydrophobicContact CG1-CB 4.02Å; V220-I246 HydrophobicContact CG1-CG2 3.59Å; V220-I246 HydrophobicContact CG2-CB 4.11Å; V220-I246 HydrophobicContact CG2-CD1 4.14Å; V220-I246 HydrophobicContact CG2-CG2 3.87Å; V220-T247 WeakPolarHBondContact CG1-OG1 3.42Å; V220-L346 HydrophobicContact CG1-CD2 4.03Å; V220-P403 HydrophobicContact CG2-CB 3.73Å; V220-P403 HydrophobicContact CG2-CG 4.01Å |
| 221 | K | 96.8 | Very high | 96.2 | Very high | 64 Ų | 64 | 27.6 Ų | 27.6 | 28% | 0.278 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 178.1 | -179.5 | 176.8 | 169.5 | 175.3 | 0 | 112 | E217 D218 S219 H223 L224 Y250 V255 E259 | E217-K221 VanDerWaalsContact O-CB 3.26Å; E217-K221 WeakPolarHBondContact O-CB 3.32Å; E217-K221 PolarHBondContact O-N 2.6Å; D218-K221 PolarHBondContact O-N 3.06Å; S219-K221 VanDerWaalsContact C-N 3.28Å; S219-K221 PolarHBondContact O-N 3.41Å; K221-H223 VanDerWaalsContact C-N 3.26Å; K221-H223 PolarHBondContact O-N 3.02Å; K221-L224 PolarHBondContact O-N 2.96Å; K221-Y250 HydrophobicContact CB-CD2 4.2Å; K221-Y250 HydrophobicContact CB-CE2 4.33Å; K221-Y250 HydrophobicContact CB-CG 4.37Å; K221-Y250 HydrophobicContact CD-CD1 4.03Å; K221-Y250 HydrophobicContact CD-CE1 3.95Å; K221-Y250 HydrophobicContact CG-CD1 4.33Å; K221-Y250 HydrophobicContact CG-CG 4.39Å; K221-V255 HydrophobicContact CG-CG1 3.9Å; K221-E259 VanDerWaalsContact CE-OE1 3.28Å; K221-E259 WeakPolarHBondContact CE-OE1 3.49Å; K221-E259 IonicContact NZ-OE1 2.83Å; K221-E259 PolarHBondContact NZ-OE1 2.52Å |
| 222 | S | 96.3 | Very high | 96.2 | Very high | 37 Ų | 37 | 22.3 Ų | 22.3 | 26% | 0.259 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -64.1 | -33.3 | 177.8 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | D218 S219 V220 L224 | D218-S222 PolarHBondContact O-N 3.37Å; S219-S222 PolarHBondContact O-N 3.2Å; S219-S222 PolarHBondContact O-OG 3.37Å; V220-S222 PolarHBondContact O-N 3.34Å; S222-L224 PolarHBondContact O-N 3.19Å |
| 223 | H | 97 | Very high | 96.2 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.3 | 178.8 | -71.1 | 56 | 0 | 0 | 0 | 113.8 | Y79 S219 V220 K221 L346 R401 P403 D406 | Y79-H223 AromaticContact CD2-CE1 3.57Å; Y79-H223 AromaticContact CD2-ND1 3.98Å; Y79-H223 AromaticContact CE2-CD2 3.71Å; Y79-H223 AromaticContact CE2-CE1 3.18Å; Y79-H223 WeakPolarHBondContact CE2-CE1 3.4Å; Y79-H223 AromaticContact CE2-ND1 3.75Å; Y79-H223 AromaticContact CE2-NE2 3.15Å; Y79-H223 WeakPolarHBondContact CE2-NE2 3.31Å; Y79-H223 AromaticContact CZ-CD2 3.45Å; Y79-H223 VanDerWaalsContact CZ-CD2 3.45Å; Y79-H223 AromaticContact CZ-CE1 3.72Å; Y79-H223 AromaticContact CZ-CG 3.77Å; Y79-H223 AromaticContact CZ-ND1 3.93Å; Y79-H223 AromaticContact CZ-NE2 3.44Å; Y79-H223 PolarHBondContact OH-CD2 2.79Å; Y79-H223 PolarHBondContact OH-NE2 2.59Å; S219-H223 PolarHBondContact O-N 3.01Å; S219-H223 VanDerWaalsContact O-N 3.1Å; S219-H223 PolarHBondContact O-ND1 3.35Å; V220-H223 PolarHBondContact O-N 3.4Å; K221-H223 VanDerWaalsContact C-N 3.26Å; K221-H223 PolarHBondContact O-N 3.02Å; H223-L346 HydrophobicContact CB-CD2 3.93Å; H223-R401 VanDerWaalsContact O-CD 3.3Å; H223-R401 WeakPolarHBondContact O-CD 3.46Å; H223-R401 PolarHBondContact O-NH1 3.26Å; H223-P403 HydrophobicContact CB-CG 4.11Å; H223-D406 IonicContact CE1-OD2 2.87Å |
| 224 | L | 95.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -7.3 | 174.7 | -63.6 | 176.7 | 0 | 0 | 0 | 114.2 | V220 K221 S222 S226 Y230 T247 V255 L346 | V220-L224 WeakPolarHBondContact O-CG 3.41Å; V220-L224 PolarHBondContact O-N 2.88Å; K221-L224 PolarHBondContact O-N 2.96Å; S222-L224 PolarHBondContact O-N 3.19Å; L224-S226 PolarHBondContact O-N 2.91Å; L224-Y230 HydrophobicContact CD2-CD2 4.35Å; L224-Y230 HydrophobicContact CD2-CE2 3.73Å; L224-T247 HydrophobicContact CD2-CG2 3.68Å; L224-V255 HydrophobicContact CB-CG1 3.95Å; L224-V255 HydrophobicContact CB-CG2 3.9Å; L224-V255 HydrophobicContact CD1-CG1 4.13Å; L224-L346 HydrophobicContact CD2-CD1 3.81Å; L224-L346 HydrophobicContact CD2-CD2 4.04Å |
| 225 | M | 92.9 | Very high | 96 | Very high | 11 Ų | 11 | 17.6 Ų | 17.6 | 5% | 0.054 | 10% | 0.098 | C | C | . | . | trans | -51.9 | 107.2 | 179.4 | 178.2 | 178.3 | 78 | 0 | 0 | 112.2 | V54 E77 Y79 H81 D99 E256 R401 | V54-M225 HydrophobicContact CG2-CE 4Å; V54-M225 HydrophobicContact CG2-CG 3.99Å; V54-M225 HydrophobicContact CG2-SD 4.46Å; E77-M225 HydrophobicContact CB-CE 4.39Å; E77-M225 WeakPolarHBondContact OE2-CE 3.36Å; Y79-M225 HydrophobicContact CD1-CE 4.26Å; H81-M225 PolarHBondContact CD2-SD 3.45Å; H81-M225 PolarHBondContact NE2-SD 3.4Å; D99-M225 HydrophobicContact CB-CE 3.81Å; D99-M225 HydrophobicContact CB-SD 4.46Å; M225-E256 VanDerWaalsContact CA-OE1 3.25Å; M225-E256 WeakPolarHBondContact CA-OE1 3.23Å; M225-E256 HydrophobicContact CG-CG 4.42Å; M225-R401 VanDerWaalsContact O-CZ 3.29Å; M225-R401 PolarHBondContact O-NH1 3.41Å; M225-R401 PolarHBondContact O-NH2 3.17Å | ||
| 226 | S | 90.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | trans | -163.5 | 138.7 | -174.7 | -174.1 | 0 | 0 | 0 | 0 | 113.1 | L224 V228 R254 E256 | L224-S226 PolarHBondContact O-N 2.91Å; S226-V228 VanDerWaalsContact OG-CG2 3.31Å; S226-V228 WeakPolarHBondContact OG-CG2 3.46Å; S226-V228 PolarHBondContact OG-N 2.97Å; S226-V228 VanDerWaalsContact OG-N 3.1Å; S226-V228 PolarHBondContact OG-O 2.5Å; S226-R254 PolarHBondContact O-NH1 2.61Å; S226-E256 PolarHBondContact N-OE1 3.03Å | ||
| 227 | D | 89.1 | Confident | 95.6 | Very high | 36 Ų | 36 | 17.8 Ų | 17.8 | 19% | 0.193 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -100.8 | 12.7 | 167.4 | -62.9 | -41.2 | 0 | 0 | 0 | 112.2 | I53 D55 V56 R254 W264 W265 | I53-D227 WeakPolarHBondContact O-CB 3.5Å; I53-D227 PolarHBondContact O-N 2.87Å; D55-D227 PolarHBondContact N-OD2 3.4Å; V56-D227 HydrophobicContact CG2-CB 4.22Å; D227-R254 IonicContact OD1-CZ 2.66Å; D227-R254 IonicContact OD1-NH1 3.22Å; D227-R254 IonicContact OD1-NH2 2.68Å; D227-R254 PolarHBondContact OD1-NH2 2.77Å; D227-W264 HydrophobicContact CB-CH2 4.07Å; D227-W264 HydrophobicContact CB-CZ3 3.69Å; D227-W264 VanDerWaalsContact O-CZ3 3.24Å; D227-W264 WeakPolarHBondContact O-CZ3 3.32Å; D227-W265 WeakPolarHBondContact O-CH2 2.76Å |
| 228 | V | 91 | Very high | 95.6 | Very high | 9 Ų | 9 | 18 Ų | 18 | 6% | 0.055 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -135.6 | 162.7 | -177 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | S52 I53 V56 S226 Y230 W265 K343 | S52-V228 WeakPolarHBondContact O-CG1 3.35Å; I53-V228 HydrophobicContact CB-CG2 4.08Å; I53-V228 HydrophobicContact CG1-CG2 3.94Å; I53-V228 HydrophobicContact CG2-CG2 3.93Å; V56-V228 HydrophobicContact CG2-CG1 4.06Å; S226-V228 VanDerWaalsContact OG-CG2 3.31Å; S226-V228 WeakPolarHBondContact OG-CG2 3.46Å; S226-V228 PolarHBondContact OG-N 2.97Å; S226-V228 VanDerWaalsContact OG-N 3.1Å; S226-V228 PolarHBondContact OG-O 2.5Å; V228-Y230 PolarHBondContact O-N 2.65Å; V228-W265 VanDerWaalsContact CA-CZ3 3.41Å; V228-K343 HydrophobicContact CB-CD 4.14Å; V228-K343 HydrophobicContact CG1-CD 4.16Å; V228-K343 HydrophobicContact CG2-CB 3.87Å; V228-K343 HydrophobicContact CG2-CD 4.08Å; V228-K343 HydrophobicContact CG2-CG 4.41Å |
| 229 | P | 92.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 14.7 Ų | 14.7 | 16% | 0.162 | 9% | 0.086 | C | C | . | . | trans | -58.7 | 134.2 | 178.4 | -17.9 | 26.4 | 0 | 0 | 0 | 112 | W265 I342 K343 | P229-W265 HydrophobicContact CB-CD2 4.06Å; P229-W265 HydrophobicContact CB-CE3 4.49Å; P229-W265 HydrophobicContact CB-CG 4.22Å; P229-W265 HydrophobicContact CG-CD2 3.87Å; P229-W265 VanDerWaalsContact CG-CE2 3.48Å; P229-W265 HydrophobicContact CG-CE3 4.36Å; P229-W265 HydrophobicContact CG-CG 4.35Å; P229-W265 HydrophobicContact CG-CH2 4.19Å; P229-W265 HydrophobicContact CG-CZ2 3.66Å; P229-I342 HydrophobicContact CB-CD1 3.65Å; P229-K343 PolarHBondContact O-N 3.38Å; P229-K343 VanDerWaalsContact O-N 3.07Å | ||
| 230 | Y | 95.7 | Very high | 95.5 | Very high | 25 Ų | 25 | 15 Ų | 15 | 10% | 0.098 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 164.3 | 174.6 | 66.5 | -98.7 | 0 | 0 | 0 | 112.1 | L224 V228 T247 A251 L268 M344 L346 | L224-Y230 HydrophobicContact CD2-CD2 4.35Å; L224-Y230 HydrophobicContact CD2-CE2 3.73Å; V228-Y230 PolarHBondContact O-N 2.65Å; Y230-T247 HydrophobicContact CE2-CG2 4.2Å; Y230-A251 WeakPolarHBondContact OH-CA 3.45Å; Y230-L268 HydrophobicContact CD2-CD1 4.49Å; Y230-L268 HydrophobicContact CE2-CD1 4.22Å; Y230-M344 CarbonylContact C-O 3.6Å; Y230-M344 WeakPolarHBondContact CA-O 3.34Å; Y230-M344 WeakPolarHBondContact CB-O 3.25Å; Y230-M344 HydrophobicContact CD1-CE 4.22Å; Y230-M344 HydrophobicContact CD2-CE 4.38Å; Y230-M344 HydrophobicContact CG-CE 3.77Å; Y230-L346 HydrophobicContact CD2-CD1 4.38Å |
| 231 | G | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | -167.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H269 M344 V345 L346 | G231-H269 VanDerWaalsContact CA-O 3.29Å; G231-H269 WeakPolarHBondContact CA-O 3.49Å; G231-M344 PolarHBondContact N-O 3.19Å; G231-V345 VanDerWaalsContact O-CA 3.24Å; G231-V345 WeakPolarHBondContact O-CA 3.43Å; G231-L346 PolarHBondContact O-N 3.25Å; G231-L346 VanDerWaalsContact O-N 3.08Å |
| 232 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.2 | 175 | -69.3 | 0 | 0 | 0 | 0 | 110.4 | S244 T247 L268 H269 S270 F271 L346 | V232-S244 WeakPolarHBondContact CG2-OG 3.46Å; V232-T247 HydrophobicContact CG1-CG2 3.7Å; V232-L268 HydrophobicContact CG1-CD1 4.14Å; V232-L268 HydrophobicContact CG1-CD2 4.34Å; V232-L268 HydrophobicContact CG2-CD1 4.33Å; V232-L268 HydrophobicContact CG2-CD2 4.08Å; V232-L268 HydrophobicContact CG2-CG 4.19Å; V232-H269 PolarHBondContact N-O 2.75Å; V232-S270 WeakPolarHBondContact O-CA 3.38Å; V232-F271 PolarHBondContact O-N 3.01Å; V232-L346 HydrophobicContact CG1-CB 4.31Å |
| 233 | L | 98.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 10.2 Ų | 10.2 | 6% | 0.063 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133.9 | 164 | -56.7 | -173 | 0 | 0 | 0 | 108.2 | S240 F271 M330 M333 I337 V345 L346 M393 | L233-S240 WeakPolarHBondContact O-CB 3.34Å; L233-F271 HydrophobicContact CD2-CB 4.37Å; L233-M330 HydrophobicContact CD1-CE 3.64Å; L233-M333 HydrophobicContact CD1-CE 4.14Å; L233-M333 HydrophobicContact CD2-CE 3.58Å; L233-M333 HydrophobicContact CD2-SD 4.16Å; L233-M333 HydrophobicContact CG-CE 4.4Å; L233-I337 HydrophobicContact CD2-CD1 3.8Å; L233-V345 HydrophobicContact CD1-CG2 4.13Å; L233-V345 HydrophobicContact CD2-CB 4.14Å; L233-V345 HydrophobicContact CD2-CG1 4.26Å; L233-V345 HydrophobicContact CD2-CG2 3.88Å; L233-V345 HydrophobicContact CG-CB 4.15Å; L233-V345 HydrophobicContact CG-CG2 3.8Å; L233-L346 PolarHBondContact N-O 3.47Å; L233-M393 HydrophobicContact CD1-SD 4.44Å; L233-M393 HydrophobicContact CD2-CE 4.32Å |
| 234 | L | 98.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | trans | -138.8 | 92.9 | -177.1 | 179.6 | 60 | 0 | 0 | 0 | 109.3 | G236 S241 F271 A272 A284 V287 A288 | L234-G236 VanDerWaalsContact C-N 3.28Å; L234-S241 WeakPolarHBondContact CD1-OG 3.49Å; L234-F271 PolarHBondContact N-O 3.48Å; L234-A272 WeakPolarHBondContact O-CB 3.28Å; L234-A284 HydrophobicContact CG-CB 4.13Å; L234-A284 VanDerWaalsContact O-CB 3.25Å; L234-A284 WeakPolarHBondContact O-CB 3.15Å; L234-V287 HydrophobicContact CD1-CB 4.07Å; L234-V287 HydrophobicContact CD1-CG1 3.78Å; L234-V287 HydrophobicContact CD2-CB 4.15Å; L234-V287 HydrophobicContact CD2-CG1 4.15Å; L234-A288 HydrophobicContact CD2-CB 4.01Å | ||
| 235 | S | 94.9 | Very high | 96 | Very high | 34 Ų | 34 | 10.2 Ų | 10.2 | 24% | 0.238 | 6% | 0.063 | C | C | . | . | trans | -83.7 | -3.3 | 176.4 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | G237 S240 D280 | S235-G237 PolarHBondContact O-N 3.37Å; S235-S240 PolarHBondContact N-OG 2.74Å; S235-S240 PolarHBondContact OG-OG 3.5Å; S235-D280 CarbonylContact O-C 3.51Å; S235-D280 WeakPolarHBondContact O-CA 3.18Å; S235-D280 WeakPolarHBondContact O-CB 3.39Å | ||
| 236 | G | 93.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 73.7 | 7.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L234 A283 R448 | L234-G236 VanDerWaalsContact C-N 3.28Å; G236-A283 WeakPolarHBondContact O-CB 3.13Å; G236-R448 PolarHBondContact O-NH1 3.45Å |
| 237 | G | 95.2 | Very high | 96.6 | Very high | 20 Ų | 20 | 9.5 Ų | 9.5 | 21% | 0.206 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -85.3 | 158.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S235 D239 S240 S241 | S235-G237 PolarHBondContact O-N 3.37Å; G237-D239 VanDerWaalsContact C-N 3.26Å; G237-D239 PolarHBondContact O-N 3.07Å; G237-D239 VanDerWaalsContact O-N 3.1Å; G237-S240 PolarHBondContact O-N 3.37Å; G237-S240 PolarHBondContact O-OG 2.96Å; G237-S241 WeakPolarHBondContact O-CB 3.45Å; G237-S241 PolarHBondContact O-N 3.17Å; G237-S241 PolarHBondContact O-OG 2.96Å |
| 238 | L | 98.2 | Very high | 97 | Very high | 9 Ų | 9 | 11 Ų | 11 | 5% | 0.047 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -43.2 | -50 | -176.2 | -179.3 | 68.9 | 0 | 0 | 0 | 113 | S241 I242 K430 L433 R434 L441 | L238-S241 PolarHBondContact O-N 3.18Å; L238-I242 HydrophobicContact CD1-CD1 3.83Å; L238-I242 HydrophobicContact CD1-CG1 4.24Å; L238-I242 HydrophobicContact CD2-CD1 4.44Å; L238-I242 HydrophobicContact CG-CD1 3.8Å; L238-I242 HydrophobicContact CG-CG1 4.45Å; L238-I242 WeakPolarHBondContact O-CG1 3.3Å; L238-I242 PolarHBondContact O-N 2.97Å; L238-K430 HydrophobicContact CD2-CB 3.95Å; L238-K430 HydrophobicContact CD2-CD 4.03Å; L238-L433 HydrophobicContact CD2-CD2 4.18Å; L238-R434 HydrophobicContact CD1-CG 3.99Å; L238-R434 HydrophobicContact CD2-CG 3.5Å; L238-R434 VanDerWaalsContact CD2-CG 3.5Å; L238-R434 HydrophobicContact CG-CG 4.4Å; L238-L441 HydrophobicContact CD1-CD1 4.05Å |
| 239 | D | 98.2 | Very high | 97.2 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 8% | 0.08 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65 | -56.2 | -167.8 | -48.6 | -43.5 | 0 | 0 | 0 | 112.4 | G237 S241 I242 I243 S351 F404 K430 K450 | G237-D239 VanDerWaalsContact C-N 3.26Å; G237-D239 PolarHBondContact O-N 3.07Å; G237-D239 VanDerWaalsContact O-N 3.1Å; D239-S241 PolarHBondContact O-N 3.04Å; D239-I242 PolarHBondContact O-N 3.26Å; D239-I243 WeakPolarHBondContact O-CG1 3.4Å; D239-I243 PolarHBondContact O-N 3.47Å; D239-I243 VanDerWaalsContact O-N 3.1Å; D239-S351 VanDerWaalsContact CG-CB 3.42Å; D239-S351 VanDerWaalsContact OD1-CB 3.23Å; D239-S351 WeakPolarHBondContact OD1-CB 3.28Å; D239-S351 PolarHBondContact OD1-OG 2.99Å; D239-F404 HydrophobicContact CB-CE2 4.17Å; D239-K430 WeakPolarHBondContact OD1-CE 3.49Å; D239-K430 IonicContact OD1-NZ 2.6Å; D239-K430 PolarHBondContact OD1-NZ 3.48Å; D239-K430 IonicContact OD2-NZ 2.99Å; D239-K430 PolarHBondContact OD2-NZ 2.87Å; D239-K450 IonicContact OD2-NZ 3.66Å |
| 240 | S | 98 | Very high | 97.3 | Very high | 8 Ų | 8 | 15.5 Ų | 15.5 | 6% | 0.056 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.6 | -31.3 | 178.2 | 71 | 0 | 0 | 0 | 0 | 112.2 | L233 S235 G237 S244 | L233-S240 WeakPolarHBondContact O-CB 3.34Å; S235-S240 PolarHBondContact N-OG 2.74Å; S235-S240 PolarHBondContact OG-OG 3.5Å; G237-S240 PolarHBondContact O-N 3.37Å; G237-S240 PolarHBondContact O-OG 2.96Å; S240-S244 VanDerWaalsContact O-CB 3.27Å; S240-S244 WeakPolarHBondContact O-CB 3.31Å; S240-S244 PolarHBondContact O-N 2.81Å; S240-S244 PolarHBondContact O-OG 2.83Å |
| 241 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.3 | -42.9 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | L234 G237 L238 D239 S244 A245 V287 | L234-S241 WeakPolarHBondContact CD1-OG 3.49Å; G237-S241 WeakPolarHBondContact O-CB 3.45Å; G237-S241 PolarHBondContact O-N 3.17Å; G237-S241 PolarHBondContact O-OG 2.96Å; L238-S241 PolarHBondContact O-N 3.18Å; D239-S241 PolarHBondContact O-N 3.04Å; S241-S244 PolarHBondContact O-N 2.92Å; S241-A245 WeakPolarHBondContact O-CB 3.24Å; S241-A245 PolarHBondContact O-N 3.34Å; S241-V287 WeakPolarHBondContact OG-CG2 3.26Å |
| 242 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.1 | -50.4 | 173.4 | -69.8 | 172.2 | 0 | 0 | 0 | 110 | L216 L238 D239 S244 A245 I246 F404 L433 F437 L441 | L216-I242 HydrophobicContact CD2-CG2 3.62Å; L238-I242 HydrophobicContact CD1-CD1 3.83Å; L238-I242 HydrophobicContact CD1-CG1 4.24Å; L238-I242 HydrophobicContact CD2-CD1 4.44Å; L238-I242 HydrophobicContact CG-CD1 3.8Å; L238-I242 HydrophobicContact CG-CG1 4.45Å; L238-I242 WeakPolarHBondContact O-CG1 3.3Å; L238-I242 PolarHBondContact O-N 2.97Å; D239-I242 PolarHBondContact O-N 3.26Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 3.31Å; I242-A245 PolarHBondContact O-N 2.86Å; I242-I246 HydrophobicContact CG2-CD1 3.7Å; I242-I246 HydrophobicContact CG2-CG1 4.38Å; I242-I246 WeakPolarHBondContact O-CG1 3.44Å; I242-I246 PolarHBondContact O-N 3.12Å; I242-F404 HydrophobicContact CG2-CZ 4.4Å; I242-L433 HydrophobicContact CD1-CD1 4.08Å; I242-L433 HydrophobicContact CD1-CD2 3.83Å; I242-L433 HydrophobicContact CD1-CG 3.66Å; I242-F437 HydrophobicContact CD1-CB 3.84Å; I242-F437 HydrophobicContact CD1-CD2 3.92Å; I242-F437 HydrophobicContact CD1-CG 4.06Å; I242-F437 HydrophobicContact CG1-CB 3.78Å; I242-F437 HydrophobicContact CG1-CD2 4.44Å; I242-F437 HydrophobicContact CG1-CG 4.11Å; I242-F437 HydrophobicContact CG2-CB 4.37Å; I242-F437 HydrophobicContact CG2-CD1 3.91Å; I242-F437 HydrophobicContact CG2-CD2 4.01Å; I242-F437 HydrophobicContact CG2-CE1 4.18Å; I242-F437 HydrophobicContact CG2-CE2 4.28Å; I242-F437 HydrophobicContact CG2-CG 3.82Å; I242-F437 HydrophobicContact CG2-CZ 4.36Å; I242-L441 HydrophobicContact CG1-CD1 3.9Å |
| 243 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 177.8 | -63.5 | -58.7 | 0 | 0 | 0 | 110.6 | L216 V220 D239 A245 I246 T247 L346 P403 F404 | L216-I243 HydrophobicContact CD1-CD1 4.3Å; V220-I243 HydrophobicContact CG2-CD1 3.64Å; D239-I243 WeakPolarHBondContact O-CG1 3.4Å; D239-I243 PolarHBondContact O-N 3.47Å; D239-I243 VanDerWaalsContact O-N 3.1Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 2.85Å; I243-I246 PolarHBondContact O-N 3.45Å; I243-T247 WeakPolarHBondContact O-CB 3.34Å; I243-T247 PolarHBondContact O-N 3.36Å; I243-T247 PolarHBondContact O-OG1 2.91Å; I243-L346 HydrophobicContact CG2-CB 3.73Å; I243-L346 HydrophobicContact CG2-CD2 4.43Å; I243-P403 HydrophobicContact CD1-CB 3.91Å; I243-P403 HydrophobicContact CD1-CG 4.02Å; I243-F404 HydrophobicContact CD1-CD2 3.86Å; I243-F404 HydrophobicContact CD1-CE2 3.61Å; I243-F404 HydrophobicContact CD1-CZ 4.23Å; I243-F404 HydrophobicContact CG1-CD2 4.07Å; I243-F404 HydrophobicContact CG1-CE2 3.61Å; I243-F404 HydrophobicContact CG1-CZ 4.47Å |
| 244 | S | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 178.5 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | V232 S240 S241 I242 K248 | V232-S244 WeakPolarHBondContact CG2-OG 3.46Å; S240-S244 VanDerWaalsContact O-CB 3.27Å; S240-S244 WeakPolarHBondContact O-CB 3.31Å; S240-S244 PolarHBondContact O-N 2.81Å; S240-S244 PolarHBondContact O-OG 2.83Å; S241-S244 PolarHBondContact O-N 2.92Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 3.31Å; S244-K248 WeakPolarHBondContact O-CB 3.39Å; S244-K248 PolarHBondContact O-N 2.77Å |
| 245 | A | 98.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 5% | 0.05 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68 | -43.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | S241 I242 I243 K248 K249 L291 Y440 L441 | S241-A245 WeakPolarHBondContact O-CB 3.24Å; S241-A245 PolarHBondContact O-N 3.34Å; I242-A245 PolarHBondContact O-N 2.86Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 2.85Å; A245-K248 PolarHBondContact O-N 2.66Å; A245-K249 PolarHBondContact O-N 3.42Å; A245-L291 HydrophobicContact CB-CD1 4.12Å; A245-L291 HydrophobicContact CB-CD2 3.71Å; A245-Y440 HydrophobicContact CB-CD1 4.21Å; A245-L441 HydrophobicContact CB-CD2 4.05Å |
| 246 | I | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.3 | -43.9 | 175.8 | -60.6 | 170.1 | 0 | 0 | 0 | 110.3 | L216 E217 V220 I242 I243 K248 K249 Y250 F437 Y440 | L216-I246 HydrophobicContact CB-CD1 4.4Å; L216-I246 HydrophobicContact CD2-CD1 3.87Å; L216-I246 HydrophobicContact CG-CD1 3.78Å; E217-I246 HydrophobicContact CB-CG2 4.31Å; E217-I246 HydrophobicContact CG-CD1 4.37Å; E217-I246 HydrophobicContact CG-CG1 4.39Å; E217-I246 HydrophobicContact CG-CG2 4.08Å; V220-I246 HydrophobicContact CB-CB 4.19Å; V220-I246 HydrophobicContact CB-CG2 3.5Å; V220-I246 VanDerWaalsContact CB-CG2 3.5Å; V220-I246 HydrophobicContact CG1-CB 4.02Å; V220-I246 HydrophobicContact CG1-CG2 3.59Å; V220-I246 HydrophobicContact CG2-CB 4.11Å; V220-I246 HydrophobicContact CG2-CD1 4.14Å; V220-I246 HydrophobicContact CG2-CG2 3.87Å; I242-I246 HydrophobicContact CG2-CD1 3.7Å; I242-I246 HydrophobicContact CG2-CG1 4.38Å; I242-I246 WeakPolarHBondContact O-CG1 3.44Å; I242-I246 PolarHBondContact O-N 3.12Å; I243-I246 PolarHBondContact O-N 3.45Å; I246-K248 VanDerWaalsContact C-N 3.28Å; I246-K248 PolarHBondContact O-N 3.17Å; I246-K249 WeakPolarHBondContact O-CB 3.48Å; I246-K249 PolarHBondContact O-N 2.97Å; I246-Y250 HydrophobicContact CG2-CD2 4.04Å; I246-Y250 HydrophobicContact CG2-CE2 3.8Å; I246-Y250 VanDerWaalsContact O-CD2 3.3Å; I246-Y250 WeakPolarHBondContact O-CD2 3.36Å; I246-Y250 PolarHBondContact O-N 3.19Å; I246-F437 HydrophobicContact CD1-CD1 4.25Å; I246-F437 HydrophobicContact CD1-CE1 3.55Å; I246-F437 HydrophobicContact CD1-CZ 4.03Å; I246-F437 HydrophobicContact CG1-CE1 4.1Å; I246-Y440 HydrophobicContact CG1-CD1 4.43Å; I246-Y440 HydrophobicContact CG1-CE1 4.39Å |
| 247 | T | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.3 | -43.7 | 175 | -63 | 0 | 0 | 0 | 0 | 110.7 | V220 L224 Y230 V232 I243 K249 Y250 A251 L268 | V220-T247 WeakPolarHBondContact CG1-OG1 3.42Å; L224-T247 HydrophobicContact CD2-CG2 3.68Å; Y230-T247 HydrophobicContact CE2-CG2 4.2Å; V232-T247 HydrophobicContact CG1-CG2 3.7Å; I243-T247 WeakPolarHBondContact O-CB 3.34Å; I243-T247 PolarHBondContact O-N 3.36Å; I243-T247 PolarHBondContact O-OG1 2.91Å; T247-K249 PolarHBondContact O-N 2.64Å; T247-Y250 PolarHBondContact O-N 3.15Å; T247-Y250 VanDerWaalsContact O-N 3.11Å; T247-A251 HydrophobicContact CG2-CB 4.42Å; T247-A251 WeakPolarHBondContact O-CB 3.13Å; T247-A251 PolarHBondContact O-N 3.15Å; T247-L268 HydrophobicContact CG2-CD1 3.74Å; T247-L268 HydrophobicContact CG2-CD2 3.8Å; T247-L268 HydrophobicContact CG2-CG 4.44Å |
| 248 | K | 96.8 | Very high | 95.5 | Very high | 66 Ų | 66 | 31.9 Ų | 31.9 | 29% | 0.287 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.5 | -34.2 | 177.2 | -178.9 | 64.8 | -175.8 | -167.1 | 0 | 112.8 | S244 A245 I246 Y250 L268 L291 G292 | S244-K248 WeakPolarHBondContact O-CB 3.39Å; S244-K248 PolarHBondContact O-N 2.77Å; A245-K248 PolarHBondContact O-N 2.66Å; I246-K248 VanDerWaalsContact C-N 3.28Å; I246-K248 PolarHBondContact O-N 3.17Å; K248-Y250 VanDerWaalsContact C-N 3.32Å; K248-Y250 PolarHBondContact O-N 3.49Å; K248-L268 HydrophobicContact CB-CD2 4.03Å; K248-L268 HydrophobicContact CD-CB 4.38Å; K248-L268 HydrophobicContact CD-CD2 4.42Å; K248-L291 WeakPolarHBondContact CE-O 3.48Å; K248-G292 PolarHBondContact NZ-O 3.46Å |
| 249 | K | 95.2 | Very high | 95.1 | Very high | 107 Ų | 107 | 34.4 Ų | 34.4 | 47% | 0.465 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.7 | -37.9 | 177 | -172.2 | -177 | 178.3 | -174.2 | 0 | 112.4 | E217 A245 I246 T247 | E217-K249 IonicContact OE1-NZ 2.73Å; E217-K249 PolarHBondContact OE1-NZ 3.37Å; E217-K249 IonicContact OE2-NZ 3.76Å; E217-K249 PolarHBondContact OE2-NZ 2.83Å; A245-K249 PolarHBondContact O-N 3.42Å; I246-K249 WeakPolarHBondContact O-CB 3.48Å; I246-K249 PolarHBondContact O-N 2.97Å; T247-K249 PolarHBondContact O-N 2.64Å |
| 250 | Y | 95 | Very high | 94.9 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -104.5 | -16.8 | -174.2 | -61.5 | -70.5 | 0 | 0 | 0 | 114.2 | E217 K221 I246 T247 K248 A252 R253 | E217-Y250 HydrophobicContact CB-CE2 4.26Å; E217-Y250 PolarHBondContact OE2-OH 2.91Å; K221-Y250 HydrophobicContact CB-CD2 4.2Å; K221-Y250 HydrophobicContact CB-CE2 4.33Å; K221-Y250 HydrophobicContact CB-CG 4.37Å; K221-Y250 HydrophobicContact CD-CD1 4.03Å; K221-Y250 HydrophobicContact CD-CE1 3.95Å; K221-Y250 HydrophobicContact CG-CD1 4.33Å; K221-Y250 HydrophobicContact CG-CG 4.39Å; I246-Y250 HydrophobicContact CG2-CD2 4.04Å; I246-Y250 HydrophobicContact CG2-CE2 3.8Å; I246-Y250 VanDerWaalsContact O-CD2 3.3Å; I246-Y250 WeakPolarHBondContact O-CD2 3.36Å; I246-Y250 PolarHBondContact O-N 3.19Å; T247-Y250 PolarHBondContact O-N 3.15Å; T247-Y250 VanDerWaalsContact O-N 3.11Å; K248-Y250 VanDerWaalsContact C-N 3.32Å; K248-Y250 PolarHBondContact O-N 3.49Å; Y250-A252 PolarHBondContact O-N 2.89Å; Y250-R253 PolarHBondContact O-N 3.29Å |
| 251 | A | 93.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y230 T247 R253 A263 L268 | Y230-A251 WeakPolarHBondContact OH-CA 3.45Å; T247-A251 HydrophobicContact CG2-CB 4.42Å; T247-A251 WeakPolarHBondContact O-CB 3.13Å; T247-A251 PolarHBondContact O-N 3.15Å; A251-R253 VanDerWaalsContact C-N 3.29Å; A251-R253 PolarHBondContact O-N 3.47Å; A251-A263 WeakPolarHBondContact O-CB 3.4Å; A251-L268 HydrophobicContact CB-CB 4.45Å |
| 252 | A | 92.4 | Very high | 94.3 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y250 A263 | Y250-A252 PolarHBondContact O-N 2.89Å; A252-A263 PolarHBondContact O-N 2.8Å |
| 253 | R | 93.4 | Very high | 93.8 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -126.6 | 152.7 | -173.2 | -62.2 | -66.5 | -172.7 | 177 | -3.2 | 111.1 | Y250 A251 V255 E259 S261 | Y250-R253 PolarHBondContact O-N 3.29Å; A251-R253 VanDerWaalsContact C-N 3.29Å; A251-R253 PolarHBondContact O-N 3.47Å; R253-V255 PolarHBondContact O-N 2.75Å; R253-E259 HydrophobicContact CB-CB 3.67Å; R253-E259 HydrophobicContact CB-CG 3.96Å; R253-E259 HydrophobicContact CG-CB 4.21Å; R253-S261 WeakPolarHBondContact CA-O 3.16Å; R253-S261 WeakPolarHBondContact CD-O 3.23Å |
| 254 | R | 92.2 | Very high | 93.2 | Very high | 25 Ų | 25 | 57.9 Ų | 57.9 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | trans | -77.4 | 118.7 | 176.3 | -76 | -166.6 | 59.7 | 86.5 | -6.5 | 111.2 | S226 D227 E256 D257 E259 S261 | S226-R254 PolarHBondContact O-NH1 2.61Å; D227-R254 IonicContact OD1-CZ 2.66Å; D227-R254 IonicContact OD1-NH1 3.22Å; D227-R254 IonicContact OD1-NH2 2.68Å; D227-R254 PolarHBondContact OD1-NH2 2.77Å; R254-E256 WeakPolarHBondContact CB-OE2 3.5Å; R254-E256 IonicContact CZ-OE2 3.77Å; R254-E256 VanDerWaalsContact CZ-OE2 3.31Å; R254-E256 IonicContact NE-OE2 2.74Å; R254-E256 PolarHBondContact NE-OE2 3.04Å; R254-E256 IonicContact NH1-OE2 2.76Å; R254-E256 IonicContact NH2-OE2 2.74Å; R254-E256 PolarHBondContact NH2-OE2 2.8Å; R254-E256 PolarHBondContact O-N 2.91Å; R254-D257 VanDerWaalsContact O-OD1 3.06Å; R254-E259 WeakPolarHBondContact O-CA 3.31Å; R254-E259 PolarHBondContact O-N 2.82Å; R254-S261 WeakPolarHBondContact CD-OG 3.5Å; R254-S261 PolarHBondContact N-O 2.74Å | ||
| 255 | V | 91.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 63 Ų | 63 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -70.9 | -26.9 | 177.7 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | K221 L224 R253 D257 Q258 | K221-V255 HydrophobicContact CG-CG1 3.9Å; L224-V255 HydrophobicContact CB-CG1 3.95Å; L224-V255 HydrophobicContact CB-CG2 3.9Å; L224-V255 HydrophobicContact CD1-CG1 4.13Å; R253-V255 PolarHBondContact O-N 2.75Å; V255-D257 VanDerWaalsContact C-N 3.27Å; V255-D257 PolarHBondContact O-N 3.38Å; V255-Q258 PolarHBondContact O-N 3.11Å |
| 256 | E | 89.3 | Confident | 91.7 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -66.5 | -27.9 | -176.2 | -55.2 | 76.2 | -167.8 | 0 | 0 | 112.5 | Q82 M225 S226 R254 | Q82-E256 PolarHBondContact NE2-O 3.09Å; M225-E256 VanDerWaalsContact CA-OE1 3.25Å; M225-E256 WeakPolarHBondContact CA-OE1 3.23Å; M225-E256 HydrophobicContact CG-CG 4.42Å; S226-E256 PolarHBondContact N-OE1 3.03Å; R254-E256 WeakPolarHBondContact CB-OE2 3.5Å; R254-E256 IonicContact CZ-OE2 3.77Å; R254-E256 VanDerWaalsContact CZ-OE2 3.31Å; R254-E256 IonicContact NE-OE2 2.74Å; R254-E256 PolarHBondContact NE-OE2 3.04Å; R254-E256 IonicContact NH1-OE2 2.76Å; R254-E256 IonicContact NH2-OE2 2.74Å; R254-E256 PolarHBondContact NH2-OE2 2.8Å; R254-E256 PolarHBondContact O-N 2.91Å |
| 257 | D | 90.8 | Very high | 91.4 | Very high | 39 Ų | 39 | 70.2 Ų | 70.2 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -111.5 | 20.1 | -179.4 | 81.4 | -3.9 | 0 | 0 | 0 | 113.9 | R254 V255 E259 R260 S261 | R254-D257 VanDerWaalsContact O-OD1 3.06Å; V255-D257 VanDerWaalsContact C-N 3.27Å; V255-D257 PolarHBondContact O-N 3.38Å; D257-E259 PolarHBondContact OD1-N 2.84Å; D257-R260 WeakPolarHBondContact O-CG 3.32Å; D257-R260 PolarHBondContact O-NE 3.13Å; D257-R260 PolarHBondContact O-NH2 3.35Å; D257-R260 PolarHBondContact OD1-N 2.85Å; D257-S261 VanDerWaalsContact CG-OG 3.32Å; D257-S261 PolarHBondContact OD1-N 2.79Å; D257-S261 WeakPolarHBondContact OD2-CB 3.4Å; D257-S261 PolarHBondContact OD2-N 2.68Å; D257-S261 VanDerWaalsContact OD2-N 3.14Å; D257-S261 PolarHBondContact OD2-OG 3.34Å |
| 258 | Q | 91 | Very high | 91.3 | Very high | 146 Ų | 146 | 70.3 Ų | 70.3 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 41.7 | -177 | -51.4 | 174.8 | -5.7 | 0 | 0 | 113.1 | V255 R260 | V255-Q258 PolarHBondContact O-N 3.11Å; Q258-R260 PolarHBondContact O-N 3.18Å |
| 259 | E | 90.8 | Very high | 91.3 | Very high | 63 Ų | 63 | 69.7 Ų | 69.7 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 62.1 | 21.7 | 175.6 | -57.6 | 172.6 | -99.7 | 0 | 0 | 114 | K221 R253 R254 D257 | K221-E259 VanDerWaalsContact CE-OE1 3.28Å; K221-E259 WeakPolarHBondContact CE-OE1 3.49Å; K221-E259 IonicContact NZ-OE1 2.83Å; K221-E259 PolarHBondContact NZ-OE1 2.52Å; R253-E259 HydrophobicContact CB-CB 3.67Å; R253-E259 HydrophobicContact CB-CG 3.96Å; R253-E259 HydrophobicContact CG-CB 4.21Å; R254-E259 WeakPolarHBondContact O-CA 3.31Å; R254-E259 PolarHBondContact O-N 2.82Å; D257-E259 PolarHBondContact OD1-N 2.84Å |
| 260 | R | 92.8 | Very high | 91.5 | Very high | 185 Ų | 185 | 64.6 Ų | 64.6 | 70% | 0.698 | 30% | 0.301 | S | S | * | . | trans | -78.7 | -37.1 | -177.1 | -71 | -174.6 | -66.4 | -169.9 | -0.4 | 111.6 | D257 Q258 | D257-R260 WeakPolarHBondContact O-CG 3.32Å; D257-R260 PolarHBondContact O-NE 3.13Å; D257-R260 PolarHBondContact O-NH2 3.35Å; D257-R260 PolarHBondContact OD1-N 2.85Å; Q258-R260 PolarHBondContact O-N 3.18Å | ||
| 261 | S | 92.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -102.3 | 159.3 | 175.5 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | R253 R254 D257 | R253-S261 WeakPolarHBondContact CA-O 3.16Å; R253-S261 WeakPolarHBondContact CD-O 3.23Å; R254-S261 WeakPolarHBondContact CD-OG 3.5Å; R254-S261 PolarHBondContact N-O 2.74Å; D257-S261 VanDerWaalsContact CG-OG 3.32Å; D257-S261 PolarHBondContact OD1-N 2.79Å; D257-S261 WeakPolarHBondContact OD2-CB 3.4Å; D257-S261 PolarHBondContact OD2-N 2.68Å; D257-S261 VanDerWaalsContact OD2-N 3.14Å; D257-S261 PolarHBondContact OD2-OG 3.34Å |
| 262 | E | 91.3 | Very high | 91.9 | Very high | 140 Ų | 140 | 63.6 Ų | 63.6 | 65% | 0.654 | 30% | 0.297 | S | S | * | . | B | Isolated β-bridge | trans | -67 | 142.8 | 170.4 | -65.5 | -176.4 | 166.2 | 0 | 0 | 110.4 | ||
| 263 | A | 88.6 | Confident | 92.1 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 141.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A251 A252 W265 P266 | A251-A263 WeakPolarHBondContact O-CB 3.4Å; A252-A263 PolarHBondContact O-N 2.8Å; A263-W265 PolarHBondContact O-N 2.74Å; A263-P266 WeakPolarHBondContact O-CD 3.23Å |
| 264 | W | 86.3 | Confident | 92.3 | Very high | 141 Ų | 141 | 56 Ų | 56 | 53% | 0.534 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -64.3 | -25.7 | 178.3 | -60.1 | -12.8 | 0 | 0 | 0 | 112.5 | D227 | D227-W264 HydrophobicContact CB-CH2 4.07Å; D227-W264 HydrophobicContact CB-CZ3 3.69Å; D227-W264 VanDerWaalsContact O-CZ3 3.24Å; D227-W264 WeakPolarHBondContact O-CZ3 3.32Å |
| 265 | W | 84.8 | Confident | 92.5 | Very high | 106 Ų | 106 | 55.3 Ų | 55.3 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -127.6 | 78.7 | 173.5 | -60.4 | -83.8 | 0 | 0 | 0 | 110.1 | D227 V228 P229 A263 Q267 | D227-W265 WeakPolarHBondContact O-CH2 2.76Å; V228-W265 VanDerWaalsContact CA-CZ3 3.41Å; P229-W265 HydrophobicContact CB-CD2 4.06Å; P229-W265 HydrophobicContact CB-CE3 4.49Å; P229-W265 HydrophobicContact CB-CG 4.22Å; P229-W265 HydrophobicContact CG-CD2 3.87Å; P229-W265 VanDerWaalsContact CG-CE2 3.48Å; P229-W265 HydrophobicContact CG-CE3 4.36Å; P229-W265 HydrophobicContact CG-CG 4.35Å; P229-W265 HydrophobicContact CG-CH2 4.19Å; P229-W265 HydrophobicContact CG-CZ2 3.66Å; A263-W265 PolarHBondContact O-N 2.74Å; W265-Q267 VanDerWaalsContact C-N 3.3Å; W265-Q267 PolarHBondContact O-N 3.14Å |
| 266 | P | 80.6 | Confident | 92.6 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | trans | -74.9 | -19.2 | -168.3 | 29.8 | -35.4 | 0 | 0 | 0 | 113.7 | A263 | A263-P266 WeakPolarHBondContact O-CD 3.23Š| ||
| 267 | Q | 91.9 | Very high | 92.7 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 41% | 0.407 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -86 | 116.2 | 177.1 | -172.8 | 62.6 | 33.3 | 0 | 0 | 109.7 | W265 H269 G292 V294 | W265-Q267 VanDerWaalsContact C-N 3.3Å; W265-Q267 PolarHBondContact O-N 3.14Å; Q267-H269 PolarHBondContact O-CD2 3.1Å; Q267-H269 VanDerWaalsContact O-CD2 3.3Å; Q267-H269 PolarHBondContact O-N 2.75Å; Q267-G292 PolarHBondContact NE2-O 3.1Å; Q267-G292 VanDerWaalsContact NE2-O 3.1Å; Q267-V294 HydrophobicContact CG-CB 4.49Å; Q267-V294 HydrophobicContact CG-CG2 3.37Å |
| 268 | L | 96.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 126.4 | 179.1 | -175.8 | 61.5 | 0 | 0 | 0 | 111.4 | Y230 V232 T247 K248 A251 T293 V294 | Y230-L268 HydrophobicContact CD2-CD1 4.49Å; Y230-L268 HydrophobicContact CE2-CD1 4.22Å; V232-L268 HydrophobicContact CG1-CD1 4.14Å; V232-L268 HydrophobicContact CG1-CD2 4.34Å; V232-L268 HydrophobicContact CG2-CD1 4.33Å; V232-L268 HydrophobicContact CG2-CD2 4.08Å; V232-L268 HydrophobicContact CG2-CG 4.19Å; T247-L268 HydrophobicContact CG2-CD1 3.74Å; T247-L268 HydrophobicContact CG2-CD2 3.8Å; T247-L268 HydrophobicContact CG2-CG 4.44Å; K248-L268 HydrophobicContact CB-CD2 4.03Å; K248-L268 HydrophobicContact CD-CB 4.38Å; K248-L268 HydrophobicContact CD-CD2 4.42Å; A251-L268 HydrophobicContact CB-CB 4.45Å; L268-T293 HydrophobicContact CB-CG2 4.26Å; L268-T293 HydrophobicContact CD2-CG2 3.93Å; L268-T293 HydrophobicContact CG-CG2 4.14Å; L268-T293 WeakPolarHBondContact O-CA 3.28Å; L268-T293 WeakPolarHBondContact O-CB 3.34Å; L268-V294 PolarHBondContact O-N 2.93Å |
| 269 | H | 97.6 | Very high | 92.9 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.7 | 171.3 | -72.5 | -119.5 | 0 | 0 | 0 | 110.2 | G231 V232 Q267 F271 V294 H296 | G231-H269 VanDerWaalsContact CA-O 3.29Å; G231-H269 WeakPolarHBondContact CA-O 3.49Å; V232-H269 PolarHBondContact N-O 2.75Å; Q267-H269 PolarHBondContact O-CD2 3.1Å; Q267-H269 VanDerWaalsContact O-CD2 3.3Å; Q267-H269 PolarHBondContact O-N 2.75Å; H269-F271 HydrophobicContact CB-CE2 3.86Å; H269-F271 HydrophobicContact CB-CZ 3.88Å; H269-V294 WeakPolarHBondContact CA-O 3.39Å; H269-H296 AromaticContact CE1-NE2 3.71Å; H269-H296 AromaticContact CG-NE2 3.78Å; H269-H296 AromaticContact ND1-CD2 3.74Å; H269-H296 AromaticContact ND1-CE1 3.76Å; H269-H296 AromaticContact ND1-NE2 2.9Å; H269-H296 PolarHBondContact ND1-NE2 3.06Å |
| 270 | S | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.1 | 175.6 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | V232 T293 V294 H295 H296 | V232-S270 WeakPolarHBondContact O-CA 3.38Å; S270-T293 PolarHBondContact OG-OG1 3.28Å; S270-V294 PolarHBondContact N-O 3.22Å; S270-H295 PolarHBondContact OG-ND1 3.1Å; S270-H296 PolarHBondContact O-N 3.44Å |
| 271 | F | 98.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.7 | -173.4 | -59.6 | -84.2 | 0 | 0 | 0 | 111.4 | V232 L233 L234 H269 H296 I298 M333 I337 M340 I342 | V232-F271 PolarHBondContact O-N 3.01Å; L233-F271 HydrophobicContact CD2-CB 4.37Å; L234-F271 PolarHBondContact N-O 3.48Å; H269-F271 HydrophobicContact CB-CE2 3.86Å; H269-F271 HydrophobicContact CB-CZ 3.88Å; F271-H296 HydrophobicContact CD1-CB 3.65Å; F271-H296 HydrophobicContact CE1-CB 3.87Å; F271-H296 AromaticContact CE1-CD2 3.58Å; F271-H296 AromaticContact CE1-CG 3.75Å; F271-I298 HydrophobicContact CD1-CD1 4.14Å; F271-M333 HydrophobicContact CB-SD 4.14Å; F271-I337 HydrophobicContact CB-CD1 3.93Å; F271-I337 HydrophobicContact CB-CG1 4.19Å; F271-I337 HydrophobicContact CD1-CD1 4.25Å; F271-I337 HydrophobicContact CD1-CG1 3.56Å; F271-I337 HydrophobicContact CD2-CD1 4.09Å; F271-I337 HydrophobicContact CD2-CG1 4Å; F271-I337 HydrophobicContact CE1-CG1 3.88Å; F271-I337 HydrophobicContact CE2-CG1 4.28Å; F271-I337 HydrophobicContact CE2-CG2 4.49Å; F271-I337 HydrophobicContact CG-CD1 3.82Å; F271-I337 HydrophobicContact CG-CG1 3.63Å; F271-I337 HydrophobicContact CZ-CG1 4.23Å; F271-M340 HydrophobicContact CE1-CE 4.27Å; F271-M340 HydrophobicContact CE1-SD 3.66Å; F271-M340 HydrophobicContact CZ-SD 4.3Å; F271-I342 HydrophobicContact CE2-CG1 4.2Å; F271-I342 HydrophobicContact CZ-CG1 3.89Å |
| 272 | A | 98 | Very high | 93.3 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 150.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L234 L281 A284 H296 I298 | L234-A272 WeakPolarHBondContact O-CB 3.28Å; A272-L281 HydrophobicContact CB-CD2 3.68Å; A272-A284 HydrophobicContact CB-CB 3.7Å; A272-H296 PolarHBondContact N-O 3.04Å; A272-I298 WeakPolarHBondContact O-CB 3.2Å; A272-I298 PolarHBondContact O-N 3.49Å |
| 273 | V | 98.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.8 | 175.5 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | I298 F300 P329 M333 F453 | V273-I298 VanDerWaalsContact CA-O 3.27Å; V273-I298 WeakPolarHBondContact CA-O 3.37Å; V273-I298 HydrophobicContact CB-CB 4.41Å; V273-I298 HydrophobicContact CG2-CB 4.43Å; V273-I298 HydrophobicContact CG2-CG2 4.21Å; V273-I298 WeakPolarHBondContact CG2-O 3.49Å; V273-F300 HydrophobicContact CG2-CD1 3.88Å; V273-F300 HydrophobicContact CG2-CE1 4.35Å; V273-P329 HydrophobicContact CG1-CB 3.85Å; V273-P329 HydrophobicContact CG2-CB 4.1Å; V273-M333 HydrophobicContact CB-CB 3.86Å; V273-M333 HydrophobicContact CB-CG 4.08Å; V273-M333 HydrophobicContact CB-SD 3.84Å; V273-M333 HydrophobicContact CG1-CB 3.99Å; V273-M333 HydrophobicContact CG1-CE 4.14Å; V273-M333 HydrophobicContact CG1-CG 4.32Å; V273-M333 HydrophobicContact CG1-SD 3.7Å; V273-M333 HydrophobicContact CG2-CB 4.18Å; V273-F453 HydrophobicContact CG1-CE2 4.16Å; V273-F453 HydrophobicContact CG1-CZ 3.66Å |
| 274 | G | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 165.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I298 H299 V457 | G274-I298 PolarHBondContact N-O 2.53Å; G274-I298 VanDerWaalsContact N-O 3.14Å; G274-H299 WeakPolarHBondContact O-CA 3.32Å; G274-V457 WeakPolarHBondContact CA-O 3.29Å |
| 275 | L | 96.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -65.6 | 152.9 | 165.4 | -61.6 | 179 | 0 | 0 | 0 | 109.5 | G277 S278 F300 V302 V457 S460 W461 | L275-G277 PolarHBondContact O-N 3.36Å; L275-S278 WeakPolarHBondContact O-CB 3.46Å; L275-S278 PolarHBondContact O-N 2.64Å; L275-S278 PolarHBondContact O-OG 3.14Å; L275-S278 VanDerWaalsContact O-OG 3.08Å; L275-F300 HydrophobicContact CD2-CD1 4.29Å; L275-F300 HydrophobicContact CD2-CD2 4.14Å; L275-F300 HydrophobicContact CD2-CE1 3.98Å; L275-F300 HydrophobicContact CD2-CE2 3.81Å; L275-F300 HydrophobicContact CD2-CG 4.36Å; L275-F300 HydrophobicContact CD2-CZ 3.72Å; L275-F300 VanDerWaalsContact CD2-O 3.23Å; L275-F300 WeakPolarHBondContact CD2-O 3.37Å; L275-F300 HydrophobicContact CG-CE1 4.13Å; L275-F300 HydrophobicContact CG-CZ 3.95Å; L275-V302 HydrophobicContact CD1-CG2 4.05Å; L275-V302 HydrophobicContact CD2-CG2 4.07Å; L275-V457 WeakPolarHBondContact CB-O 3.4Å; L275-V457 PolarHBondContact N-O 3.39Å; L275-S460 WeakPolarHBondContact CD1-OG 3.5Å; L275-W461 HydrophobicContact CD1-CB 4.15Å |
| 276 | P | 93.1 | Very high | 95.2 | Very high | 102 Ų | 102 | 38 Ų | 38 | 66% | 0.662 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 127.6 | 176.3 | -28.2 | 35.8 | 0 | 0 | 0 | 112.3 | S278 | P276-S278 VanDerWaalsContact C-N 3.31Å; P276-S278 PolarHBondContact O-N 2.97Å |
| 277 | G | 90.8 | Very high | 96 | Very high | 83 Ų | 83 | 34.6 Ų | 34.6 | 86% | 0.856 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 9.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L275 | L275-G277 PolarHBondContact O-N 3.36Š|
| 278 | S | 94.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | trans | -60.2 | 148.1 | 176.8 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | L275 P276 D280 L281 G456 V457 | L275-S278 WeakPolarHBondContact O-CB 3.46Å; L275-S278 PolarHBondContact O-N 2.64Å; L275-S278 PolarHBondContact O-OG 3.14Å; L275-S278 VanDerWaalsContact O-OG 3.08Å; P276-S278 VanDerWaalsContact C-N 3.31Å; P276-S278 PolarHBondContact O-N 2.97Å; S278-D280 VanDerWaalsContact C-N 3.26Å; S278-D280 PolarHBondContact O-N 3.04Å; S278-L281 PolarHBondContact O-N 3.14Å; S278-L281 WeakPolarHBondContact OG-CD1 3.45Å; S278-L281 VanDerWaalsContact OG-CG 3.23Å; S278-L281 WeakPolarHBondContact OG-CG 3.5Å; S278-G456 WeakPolarHBondContact CB-O 3.2Å; S278-V457 WeakPolarHBondContact CB-O 3.5Å | ||
| 279 | P | 92.1 | Very high | 96.4 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56 | -38.2 | 179.3 | -27.1 | 35 | 0 | 0 | 0 | 113.9 | A283 G456 | P279-A283 PolarHBondContact O-N 3.06Å; P279-G456 WeakPolarHBondContact CD-O 3.46Å |
| 280 | D | 94.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.3 | -41.5 | -175.5 | -82.1 | 6.9 | 0 | 0 | 0 | 112.8 | S235 S278 K282 A283 A284 R448 G456 | S235-D280 CarbonylContact O-C 3.51Å; S235-D280 WeakPolarHBondContact O-CA 3.18Å; S235-D280 WeakPolarHBondContact O-CB 3.39Å; S278-D280 VanDerWaalsContact C-N 3.26Å; S278-D280 PolarHBondContact O-N 3.04Å; D280-K282 VanDerWaalsContact C-N 3.32Å; D280-K282 PolarHBondContact O-N 2.77Å; D280-A283 PolarHBondContact O-N 3.3Å; D280-A284 WeakPolarHBondContact O-CB 3.36Å; D280-A284 PolarHBondContact O-N 3.35Å; D280-R448 IonicContact OD1-CZ 3.85Å; D280-R448 IonicContact OD1-NH1 3.48Å; D280-R448 PolarHBondContact OD1-NH1 2.65Å; D280-R448 IonicContact OD1-NH2 3.81Å; D280-R448 PolarHBondContact OD1-NH2 3.3Å; D280-G456 WeakPolarHBondContact CB-O 3.5Å; D280-G456 PolarHBondContact N-O 3.18Å |
| 281 | L | 96.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.3 | -68.6 | 178 | 0 | 0 | 0 | 111.6 | A272 S278 A283 A284 Q285 E297 H299 | A272-L281 HydrophobicContact CB-CD2 3.68Å; S278-L281 PolarHBondContact O-N 3.14Å; S278-L281 WeakPolarHBondContact OG-CD1 3.45Å; S278-L281 VanDerWaalsContact OG-CG 3.23Å; S278-L281 WeakPolarHBondContact OG-CG 3.5Å; L281-A283 PolarHBondContact O-N 2.71Å; L281-A284 PolarHBondContact O-N 3.46Å; L281-Q285 WeakPolarHBondContact O-CB 3.44Å; L281-Q285 PolarHBondContact O-N 3.1Å; L281-E297 HydrophobicContact CD2-CB 4.17Å; L281-E297 HydrophobicContact CD2-CG 4.11Å; L281-H299 VanDerWaalsContact CD1-CE1 3.49Å; L281-H299 WeakPolarHBondContact CD1-CE1 3.45Å; L281-H299 WeakPolarHBondContact CD1-ND1 3.4Å |
| 282 | K | 94.6 | Very high | 96.4 | Very high | 168 Ų | 168 | 41.1 Ų | 41.1 | 73% | 0.73 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.4 | -46.6 | 178.6 | -177.5 | -178.7 | 175.3 | -174.6 | 0 | 112.1 | D280 E286 | D280-K282 VanDerWaalsContact C-N 3.32Å; D280-K282 PolarHBondContact O-N 2.77Å; K282-E286 PolarHBondContact O-N 3.09Å |
| 283 | A | 96.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.9 | -38.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G236 P279 D280 L281 Q285 E286 V287 | G236-A283 WeakPolarHBondContact O-CB 3.13Å; P279-A283 PolarHBondContact O-N 3.06Å; D280-A283 PolarHBondContact O-N 3.3Å; L281-A283 PolarHBondContact O-N 2.71Å; A283-Q285 VanDerWaalsContact C-N 3.31Å; A283-Q285 PolarHBondContact O-N 3.18Å; A283-E286 WeakPolarHBondContact O-CB 3.42Å; A283-E286 PolarHBondContact O-N 3.08Å; A283-V287 WeakPolarHBondContact O-CG2 3.31Å; A283-V287 PolarHBondContact O-N 2.93Å; A283-V287 VanDerWaalsContact O-N 3.1Å |
| 284 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L234 A272 D280 L281 E286 V287 A288 | L234-A284 HydrophobicContact CG-CB 4.13Å; L234-A284 VanDerWaalsContact O-CB 3.25Å; L234-A284 WeakPolarHBondContact O-CB 3.15Å; A272-A284 HydrophobicContact CB-CB 3.7Å; D280-A284 WeakPolarHBondContact O-CB 3.36Å; D280-A284 PolarHBondContact O-N 3.35Å; L281-A284 PolarHBondContact O-N 3.46Å; A284-E286 VanDerWaalsContact C-N 3.33Å; A284-E286 PolarHBondContact O-N 3.42Å; A284-V287 PolarHBondContact O-N 2.96Å; A284-A288 VanDerWaalsContact O-CB 3.31Å; A284-A288 WeakPolarHBondContact O-CB 3.4Å; A284-A288 PolarHBondContact O-N 3.42Å |
| 285 | Q | 98 | Very high | 96.4 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 29% | 0.29 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 176.7 | -174.7 | 56.7 | 91 | 0 | 0 | 112.6 | L281 A283 A288 N289 E297 | L281-Q285 WeakPolarHBondContact O-CB 3.44Å; L281-Q285 PolarHBondContact O-N 3.1Å; A283-Q285 VanDerWaalsContact C-N 3.31Å; A283-Q285 PolarHBondContact O-N 3.18Å; Q285-A288 PolarHBondContact O-N 3.33Å; Q285-N289 PolarHBondContact NE2-OD1 3Å; Q285-N289 WeakPolarHBondContact O-CB 3.45Å; Q285-N289 PolarHBondContact O-N 2.98Å; Q285-N289 PolarHBondContact O-ND2 3.24Å; Q285-E297 PolarHBondContact OE1-OE1 3.08Å |
| 286 | E | 98.1 | Very high | 96.5 | Very high | 83 Ų | 83 | 47 Ų | 47 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 175.3 | -174 | 175.7 | 178.3 | 0 | 0 | 111.8 | K282 A283 A284 N289 H290 P442 S444 | K282-E286 PolarHBondContact O-N 3.09Å; A283-E286 WeakPolarHBondContact O-CB 3.42Å; A283-E286 PolarHBondContact O-N 3.08Å; A284-E286 VanDerWaalsContact C-N 3.33Å; A284-E286 PolarHBondContact O-N 3.42Å; E286-N289 PolarHBondContact O-N 3.06Å; E286-H290 PolarHBondContact O-N 2.76Å; E286-P442 HydrophobicContact CG-CB 4.27Å; E286-P442 HydrophobicContact CG-CG 4.17Å; E286-S444 PolarHBondContact OE1-OG 2.89Å; E286-S444 PolarHBondContact OE2-OG 3.11Å |
| 287 | V | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -43 | 176.6 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | L234 S241 A283 A284 N289 H290 L291 L441 V445 | L234-V287 HydrophobicContact CD1-CB 4.07Å; L234-V287 HydrophobicContact CD1-CG1 3.78Å; L234-V287 HydrophobicContact CD2-CB 4.15Å; L234-V287 HydrophobicContact CD2-CG1 4.15Å; S241-V287 WeakPolarHBondContact OG-CG2 3.26Å; A283-V287 WeakPolarHBondContact O-CG2 3.31Å; A283-V287 PolarHBondContact O-N 2.93Å; A283-V287 VanDerWaalsContact O-N 3.1Å; A284-V287 PolarHBondContact O-N 2.96Å; V287-N289 VanDerWaalsContact C-N 3.3Å; V287-N289 PolarHBondContact O-N 2.66Å; V287-H290 WeakPolarHBondContact O-CB 3.45Å; V287-H290 PolarHBondContact O-N 3.37Å; V287-H290 VanDerWaalsContact O-N 3.15Å; V287-L291 HydrophobicContact CG1-CD1 3.67Å; V287-L291 HydrophobicContact CG1-CG 4.07Å; V287-L291 WeakPolarHBondContact O-CB 3.42Å; V287-L291 WeakPolarHBondContact O-CG 3.05Å; V287-L291 PolarHBondContact O-N 3.43Å; V287-L441 HydrophobicContact CG1-CD2 4.41Å; V287-V445 HydrophobicContact CG2-CB 4.01Å; V287-V445 HydrophobicContact CG2-CG1 3.68Å; V287-V445 HydrophobicContact CG2-CG2 3.6Å |
| 288 | A | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -38 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L234 A284 Q285 G292 T293 H295 | L234-A288 HydrophobicContact CD2-CB 4.01Å; A284-A288 VanDerWaalsContact O-CB 3.31Å; A284-A288 WeakPolarHBondContact O-CB 3.4Å; A284-A288 PolarHBondContact O-N 3.42Å; Q285-A288 PolarHBondContact O-N 3.33Å; A288-G292 PolarHBondContact O-N 2.97Å; A288-T293 WeakPolarHBondContact CB-OG1 3.01Å; A288-T293 PolarHBondContact O-N 3.32Å; A288-T293 VanDerWaalsContact O-N 3.16Å; A288-H295 HydrophobicContact CB-CB 3.6Å; A288-H295 VanDerWaalsContact CB-CG 3.45Å |
| 289 | N | 98.4 | Very high | 97.1 | Very high | 115 Ų | 115 | 46.8 Ų | 46.8 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.8 | -44 | 172.8 | -72.8 | -21.8 | 0 | 0 | 0 | 111.6 | Q285 E286 V287 L291 G292 | Q285-N289 PolarHBondContact NE2-OD1 3Å; Q285-N289 WeakPolarHBondContact O-CB 3.45Å; Q285-N289 PolarHBondContact O-N 2.98Å; Q285-N289 PolarHBondContact O-ND2 3.24Å; E286-N289 PolarHBondContact O-N 3.06Å; V287-N289 VanDerWaalsContact C-N 3.3Å; V287-N289 PolarHBondContact O-N 2.66Å; N289-L291 PolarHBondContact O-N 3.02Å; N289-G292 PolarHBondContact O-N 3.21Å |
| 290 | H | 98.4 | Very high | 97.3 | Very high | 104 Ų | 104 | 45 Ų | 45 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.2 | -178.2 | 83.2 | 0 | 0 | 0 | 112.5 | E286 V287 Y440 P442 | E286-H290 PolarHBondContact O-N 2.76Å; V287-H290 WeakPolarHBondContact O-CB 3.45Å; V287-H290 PolarHBondContact O-N 3.37Å; V287-H290 VanDerWaalsContact O-N 3.15Å; H290-Y440 PolarHBondContact NE2-O 3.14Å; H290-P442 HydrophobicContact CB-CG 3.62Å |
| 291 | L | 97.8 | Very high | 97.4 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -85.1 | -14.5 | -178.1 | -62.7 | -178.7 | 0 | 0 | 0 | 114.1 | A245 K248 V287 N289 T293 | A245-L291 HydrophobicContact CB-CD1 4.12Å; A245-L291 HydrophobicContact CB-CD2 3.71Å; K248-L291 WeakPolarHBondContact CE-O 3.48Å; V287-L291 HydrophobicContact CG1-CD1 3.67Å; V287-L291 HydrophobicContact CG1-CG 4.07Å; V287-L291 WeakPolarHBondContact O-CB 3.42Å; V287-L291 WeakPolarHBondContact O-CG 3.05Å; V287-L291 PolarHBondContact O-N 3.43Å; N289-L291 PolarHBondContact O-N 3.02Å; L291-T293 HydrophobicContact CB-CG2 3.99Å |
| 292 | G | 97.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 45.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K248 Q267 A288 N289 | K248-G292 PolarHBondContact NZ-O 3.46Å; Q267-G292 PolarHBondContact NE2-O 3.1Å; Q267-G292 VanDerWaalsContact NE2-O 3.1Å; A288-G292 PolarHBondContact O-N 2.97Å; N289-G292 PolarHBondContact O-N 3.21Å |
| 293 | T | 97.9 | Very high | 97.5 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | trans | -89.1 | 154.8 | 172.3 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | L268 S270 A288 L291 H295 | L268-T293 HydrophobicContact CB-CG2 4.26Å; L268-T293 HydrophobicContact CD2-CG2 3.93Å; L268-T293 HydrophobicContact CG-CG2 4.14Å; L268-T293 WeakPolarHBondContact O-CA 3.28Å; L268-T293 WeakPolarHBondContact O-CB 3.34Å; S270-T293 PolarHBondContact OG-OG1 3.28Å; A288-T293 WeakPolarHBondContact CB-OG1 3.01Å; A288-T293 PolarHBondContact O-N 3.32Å; A288-T293 VanDerWaalsContact O-N 3.16Å; L291-T293 HydrophobicContact CB-CG2 3.99Å; T293-H295 PolarHBondContact O-N 2.79Å; T293-H295 VanDerWaalsContact O-N 3.16Å | ||
| 294 | V | 97.5 | Very high | 97.5 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 100.6 | 165.3 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | Q267 L268 H269 S270 H296 | Q267-V294 HydrophobicContact CG-CB 4.49Å; Q267-V294 HydrophobicContact CG-CG2 3.37Å; L268-V294 PolarHBondContact O-N 2.93Å; H269-V294 WeakPolarHBondContact CA-O 3.39Å; S270-V294 PolarHBondContact N-O 3.22Å; V294-H296 WeakPolarHBondContact CG1-NE2 3.39Å; V294-H296 PolarHBondContact O-CD2 2.84Å; V294-H296 PolarHBondContact O-NE2 3.33Å |
| 295 | H | 98 | Very high | 97.5 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 15% | 0.148 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.6 | -175 | -162 | 46.9 | 0 | 0 | 0 | 112.2 | S270 A288 T293 | S270-H295 PolarHBondContact OG-ND1 3.1Å; A288-H295 HydrophobicContact CB-CB 3.6Å; A288-H295 VanDerWaalsContact CB-CG 3.45Å; T293-H295 PolarHBondContact O-N 2.79Å; T293-H295 VanDerWaalsContact O-N 3.16Å |
| 296 | H | 97.8 | Very high | 97.5 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 105.2 | 175.1 | -56.1 | -79.7 | 0 | 0 | 0 | 108.8 | H269 S270 F271 A272 V294 M340 | H269-H296 AromaticContact CE1-NE2 3.71Å; H269-H296 AromaticContact CG-NE2 3.78Å; H269-H296 AromaticContact ND1-CD2 3.74Å; H269-H296 AromaticContact ND1-CE1 3.76Å; H269-H296 AromaticContact ND1-NE2 2.9Å; H269-H296 PolarHBondContact ND1-NE2 3.06Å; S270-H296 PolarHBondContact O-N 3.44Å; F271-H296 HydrophobicContact CD1-CB 3.65Å; F271-H296 HydrophobicContact CE1-CB 3.87Å; F271-H296 AromaticContact CE1-CD2 3.58Å; F271-H296 AromaticContact CE1-CG 3.75Å; A272-H296 PolarHBondContact N-O 3.04Å; V294-H296 WeakPolarHBondContact CG1-NE2 3.39Å; V294-H296 PolarHBondContact O-CD2 2.84Å; V294-H296 PolarHBondContact O-NE2 3.33Å; H296-M340 WeakPolarHBondContact CE1-CE 3.36Å; H296-M340 VanDerWaalsContact ND1-CE 3.34Å; H296-M340 WeakPolarHBondContact ND1-CE 3.31Å |
| 297 | E | 96.9 | Very high | 97.5 | Very high | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.9 | 166.9 | -67.5 | -169.8 | -167.2 | 0 | 0 | 109.4 | L281 Q285 H299 | L281-E297 HydrophobicContact CD2-CB 4.17Å; L281-E297 HydrophobicContact CD2-CG 4.11Å; Q285-E297 PolarHBondContact OE1-OE1 3.08Å; E297-H299 IonicContact OE2-CE1 3.66Å; E297-H299 IonicContact OE2-NE2 3.84Å |
| 298 | I | 97.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 109.7 | 177.4 | -66.2 | 158.3 | 0 | 0 | 0 | 107.9 | F271 A272 V273 G274 M333 K336 | F271-I298 HydrophobicContact CD1-CD1 4.14Å; A272-I298 WeakPolarHBondContact O-CB 3.2Å; A272-I298 PolarHBondContact O-N 3.49Å; V273-I298 VanDerWaalsContact CA-O 3.27Å; V273-I298 WeakPolarHBondContact CA-O 3.37Å; V273-I298 HydrophobicContact CB-CB 4.41Å; V273-I298 HydrophobicContact CG2-CB 4.43Å; V273-I298 HydrophobicContact CG2-CG2 4.21Å; V273-I298 WeakPolarHBondContact CG2-O 3.49Å; G274-I298 PolarHBondContact N-O 2.53Å; G274-I298 VanDerWaalsContact N-O 3.14Å; I298-M333 HydrophobicContact CD1-CB 4.4Å; I298-M333 HydrophobicContact CD1-CG 3.63Å; I298-K336 HydrophobicContact CD1-CB 3.67Å; I298-K336 HydrophobicContact CD1-CG 4.31Å; I298-K336 HydrophobicContact CG1-CB 4.09Å; I298-K336 HydrophobicContact CG1-CG 4.3Å; I298-K336 HydrophobicContact CG2-CB 4.48Å; I298-K336 HydrophobicContact CG2-CG 3.91Å |
| 299 | H | 96.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 51.9 Ų | 51.9 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 141.1 | 171.6 | -58.3 | -65.7 | 0 | 0 | 0 | 110.7 | G274 L281 E297 | G274-H299 WeakPolarHBondContact O-CA 3.32Å; L281-H299 VanDerWaalsContact CD1-CE1 3.49Å; L281-H299 WeakPolarHBondContact CD1-CE1 3.45Å; L281-H299 WeakPolarHBondContact CD1-ND1 3.4Å; E297-H299 IonicContact OE2-CE1 3.66Å; E297-H299 IonicContact OE2-NE2 3.84Å |
| 300 | F | 96.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | trans | -125.3 | 160.4 | 164.1 | 75.3 | -73.8 | 0 | 0 | 0 | 109.3 | V273 L275 E304 P329 L332 V457 W461 | V273-F300 HydrophobicContact CG2-CD1 3.88Å; V273-F300 HydrophobicContact CG2-CE1 4.35Å; L275-F300 HydrophobicContact CD2-CD1 4.29Å; L275-F300 HydrophobicContact CD2-CD2 4.14Å; L275-F300 HydrophobicContact CD2-CE1 3.98Å; L275-F300 HydrophobicContact CD2-CE2 3.81Å; L275-F300 HydrophobicContact CD2-CG 4.36Å; L275-F300 HydrophobicContact CD2-CZ 3.72Å; L275-F300 VanDerWaalsContact CD2-O 3.23Å; L275-F300 WeakPolarHBondContact CD2-O 3.37Å; L275-F300 HydrophobicContact CG-CE1 4.13Å; L275-F300 HydrophobicContact CG-CZ 3.95Å; F300-E304 WeakPolarHBondContact CA-OE2 3.31Å; F300-P329 HydrophobicContact CE1-CB 4.12Å; F300-P329 HydrophobicContact CE1-CG 4.19Å; F300-P329 HydrophobicContact CZ-CB 4.37Å; F300-P329 HydrophobicContact CZ-CG 3.97Å; F300-L332 HydrophobicContact CB-CD1 3.74Å; F300-L332 HydrophobicContact CD2-CD1 3.79Å; F300-L332 HydrophobicContact CG-CD1 3.92Å; F300-V457 HydrophobicContact CE1-CB 4.33Å; F300-W461 HydrophobicContact CE2-CD2 4.36Å; F300-W461 HydrophobicContact CE2-CE3 4.25Å | ||
| 301 | T | 96.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | trans | -98.4 | 155.5 | 170.4 | 62.6 | 0 | 0 | 0 | 0 | 110 | Q303 E304 G305 | T301-Q303 PolarHBondContact O-N 2.82Å; T301-E304 PolarHBondContact N-OE2 3.21Å; T301-E304 PolarHBondContact O-N 2.71Å; T301-E304 VanDerWaalsContact O-N 3.16Å; T301-E304 WeakPolarHBondContact OG1-CB 3.26Å; T301-E304 VanDerWaalsContact OG1-CG 3.24Å; T301-E304 WeakPolarHBondContact OG1-CG 3.49Å; T301-E304 PolarHBondContact OG1-N 3.19Å; T301-E304 VanDerWaalsContact OG1-N 3.15Å; T301-E304 PolarHBondContact OG1-OE2 2.96Å; T301-G305 PolarHBondContact O-N 2.77Å | ||
| 302 | V | 95.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.2 | -38.3 | 174.4 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | L275 G305 L306 W461 T464 | L275-V302 HydrophobicContact CD1-CG2 4.05Å; L275-V302 HydrophobicContact CD2-CG2 4.07Å; V302-G305 PolarHBondContact O-N 3.25Å; V302-L306 HydrophobicContact CG1-CD1 4.13Å; V302-L306 HydrophobicContact CG1-CG 4.33Å; V302-L306 WeakPolarHBondContact O-CG 3.33Å; V302-L306 PolarHBondContact O-N 2.76Å; V302-W461 HydrophobicContact CG1-CE3 4.37Å; V302-W461 HydrophobicContact CG1-CZ3 4.5Å; V302-T464 HydrophobicContact CG1-CG2 3.51Å |
| 303 | Q | 96.8 | Very high | 97.6 | Very high | 111 Ų | 111 | 47.5 Ų | 47.5 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -45 | 177.3 | -170.8 | 61.9 | 53.4 | 0 | 0 | 112.6 | T301 G305 L306 D307 | T301-Q303 PolarHBondContact O-N 2.82Å; Q303-G305 PolarHBondContact O-N 2.57Å; Q303-L306 PolarHBondContact O-N 3.13Å; Q303-L306 VanDerWaalsContact O-N 3.15Å; Q303-D307 PolarHBondContact NE2-OD1 3.44Å; Q303-D307 WeakPolarHBondContact O-CB 3.42Å; Q303-D307 PolarHBondContact O-N 2.91Å |
| 304 | E | 97.8 | Very high | 97.7 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -35.2 | 174.4 | -73.7 | 165.2 | 136 | 0 | 0 | 111.9 | F300 T301 A308 | F300-E304 WeakPolarHBondContact CA-OE2 3.31Å; T301-E304 PolarHBondContact N-OE2 3.21Å; T301-E304 PolarHBondContact O-N 2.71Å; T301-E304 VanDerWaalsContact O-N 3.16Å; T301-E304 WeakPolarHBondContact OG1-CB 3.26Å; T301-E304 VanDerWaalsContact OG1-CG 3.24Å; T301-E304 WeakPolarHBondContact OG1-CG 3.49Å; T301-E304 PolarHBondContact OG1-N 3.19Å; T301-E304 VanDerWaalsContact OG1-N 3.15Å; T301-E304 PolarHBondContact OG1-OE2 2.96Å; E304-A308 WeakPolarHBondContact O-CB 3.2Å; E304-A308 PolarHBondContact O-N 3.49Å |
| 305 | G | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -49.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T301 V302 Q303 D307 A308 I309 T328 | T301-G305 PolarHBondContact O-N 2.77Å; V302-G305 PolarHBondContact O-N 3.25Å; Q303-G305 PolarHBondContact O-N 2.57Å; G305-D307 PolarHBondContact O-N 2.81Å; G305-A308 PolarHBondContact O-N 2.98Å; G305-I309 WeakPolarHBondContact O-CG1 3.39Å; G305-I309 PolarHBondContact O-N 2.95Å; G305-T328 WeakPolarHBondContact O-CG2 3.41Å |
| 306 | L | 97.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 47 Ų | 47 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 178.3 | -69.4 | 171.4 | 0 | 0 | 0 | 112 | V302 Q303 A308 I309 T464 L465 V468 | V302-L306 HydrophobicContact CG1-CD1 4.13Å; V302-L306 HydrophobicContact CG1-CG 4.33Å; V302-L306 WeakPolarHBondContact O-CG 3.33Å; V302-L306 PolarHBondContact O-N 2.76Å; Q303-L306 PolarHBondContact O-N 3.13Å; Q303-L306 VanDerWaalsContact O-N 3.15Å; L306-A308 PolarHBondContact O-N 3.17Å; L306-I309 PolarHBondContact O-N 2.92Å; L306-T464 HydrophobicContact CD1-CG2 4.37Å; L306-L465 HydrophobicContact CD2-CD2 3.83Å; L306-V468 HydrophobicContact CD1-CG2 3.96Å; L306-V468 HydrophobicContact CD2-CB 4.28Å; L306-V468 HydrophobicContact CD2-CG1 4.22Å; L306-V468 HydrophobicContact CD2-CG2 4.08Å |
| 307 | D | 98.2 | Very high | 97.7 | Very high | 109 Ų | 109 | 45.2 Ų | 45.2 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.3 | -29.5 | 179 | -66.5 | -16.3 | 0 | 0 | 0 | 111.9 | Q303 G305 | Q303-D307 PolarHBondContact NE2-OD1 3.44Å; Q303-D307 WeakPolarHBondContact O-CB 3.42Å; Q303-D307 PolarHBondContact O-N 2.91Å; G305-D307 PolarHBondContact O-N 2.81Å |
| 308 | A | 98.3 | Very high | 97.8 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -82.9 | -14.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E304 G305 L306 R310 D311 V312 T328 Y331 L332 | E304-A308 WeakPolarHBondContact O-CB 3.2Å; E304-A308 PolarHBondContact O-N 3.49Å; G305-A308 PolarHBondContact O-N 2.98Å; L306-A308 PolarHBondContact O-N 3.17Å; A308-R310 VanDerWaalsContact C-N 3.32Å; A308-R310 PolarHBondContact O-N 3.01Å; A308-D311 PolarHBondContact O-N 2.68Å; A308-D311 VanDerWaalsContact O-N 3.12Å; A308-V312 HydrophobicContact CB-CG2 4.28Å; A308-V312 WeakPolarHBondContact O-CB 3.48Å; A308-V312 VanDerWaalsContact O-CG2 3.27Å; A308-V312 WeakPolarHBondContact O-CG2 3.33Å; A308-V312 PolarHBondContact O-N 3.02Å; A308-T328 HydrophobicContact CB-CG2 4.26Å; A308-Y331 HydrophobicContact CB-CD1 4.24Å; A308-Y331 HydrophobicContact CB-CE1 4.19Å; A308-L332 HydrophobicContact CB-CD2 4.17Å |
| 309 | I | 98.5 | Very high | 97.7 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.3 | -44.9 | -171.3 | -69.5 | -65.1 | 0 | 0 | 0 | 112.6 | G305 L306 V312 I313 I324 T328 W461 L465 Y498 I501 | G305-I309 WeakPolarHBondContact O-CG1 3.39Å; G305-I309 PolarHBondContact O-N 2.95Å; L306-I309 PolarHBondContact O-N 2.92Å; I309-V312 PolarHBondContact O-N 3.41Å; I309-I313 HydrophobicContact CG2-CD1 3.83Å; I309-I313 HydrophobicContact CG2-CG1 4.49Å; I309-I313 WeakPolarHBondContact O-CG1 3.31Å; I309-I313 PolarHBondContact O-N 3.39Å; I309-I324 HydrophobicContact CD1-CG2 3.9Å; I309-T328 HydrophobicContact CD1-CG2 4.32Å; I309-W461 HydrophobicContact CD1-CH2 4.02Å; I309-W461 HydrophobicContact CD1-CZ2 4.22Å; I309-L465 HydrophobicContact CD1-CD2 4.03Å; I309-L465 HydrophobicContact CG1-CD2 4.38Å; I309-Y498 HydrophobicContact CD1-CE1 4.45Å; I309-Y498 HydrophobicContact CG2-CD1 4.06Å; I309-Y498 HydrophobicContact CG2-CE1 3.77Å; I309-I501 HydrophobicContact CG2-CD1 4.15Å |
| 310 | R | 98.5 | Very high | 97.7 | Very high | 106 Ų | 106 | 39.1 Ų | 39.1 | 40% | 0.4 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.4 | -45.5 | -179.5 | -174.2 | 178.7 | -172.4 | 86.6 | -0.8 | 111.8 | A308 V312 I313 Y314 I501 E504 L505 | A308-R310 VanDerWaalsContact C-N 3.32Å; A308-R310 PolarHBondContact O-N 3.01Å; R310-V312 VanDerWaalsContact C-N 3.34Å; R310-I313 PolarHBondContact O-N 2.8Å; R310-Y314 PolarHBondContact O-N 3.34Å; R310-I501 HydrophobicContact CB-CG2 4.37Å; R310-I501 HydrophobicContact CG-CG2 3.97Å; R310-E504 IonicContact CZ-OE2 2.71Å; R310-E504 VanDerWaalsContact CZ-OE2 3.31Å; R310-E504 IonicContact NH1-OE2 3.43Å; R310-E504 PolarHBondContact NH1-OE2 3.31Å; R310-E504 IonicContact NH2-OE2 3.24Å; R310-E504 PolarHBondContact NH2-OE2 2.67Å; R310-L505 HydrophobicContact CG-CD1 4.32Å |
| 311 | D | 98.6 | Very high | 97.5 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.9 | -38.6 | 178.7 | -69.3 | -24.8 | 0 | 0 | 0 | 111.1 | A308 Y314 H315 | A308-D311 PolarHBondContact O-N 2.68Å; A308-D311 VanDerWaalsContact O-N 3.12Å; D311-Y314 WeakPolarHBondContact O-CB 3.34Å; D311-Y314 PolarHBondContact O-N 3.17Å; D311-H315 PolarHBondContact O-CD2 3.07Å; D311-H315 PolarHBondContact O-N 2.89Å |
| 312 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.6 | -52.9 | 174.2 | 169.3 | 0 | 0 | 0 | 0 | 109.8 | A308 I309 R310 Y314 H315 I316 T328 Y331 | A308-V312 HydrophobicContact CB-CG2 4.28Å; A308-V312 WeakPolarHBondContact O-CB 3.48Å; A308-V312 VanDerWaalsContact O-CG2 3.27Å; A308-V312 WeakPolarHBondContact O-CG2 3.33Å; A308-V312 PolarHBondContact O-N 3.02Å; I309-V312 PolarHBondContact O-N 3.41Å; R310-V312 VanDerWaalsContact C-N 3.34Å; V312-Y314 VanDerWaalsContact C-N 3.29Å; V312-Y314 PolarHBondContact O-N 3.1Å; V312-H315 PolarHBondContact O-N 3.12Å; V312-I316 HydrophobicContact CG1-CD1 3.86Å; V312-I316 HydrophobicContact CG1-CG1 4.39Å; V312-I316 HydrophobicContact CG1-CG2 4.4Å; V312-I316 VanDerWaalsContact O-CG1 3.29Å; V312-I316 WeakPolarHBondContact O-CG1 3.31Å; V312-I316 PolarHBondContact O-N 3.08Å; V312-T328 HydrophobicContact CG2-CG2 4.31Å; V312-Y331 HydrophobicContact CG2-CD1 3.89Å; V312-Y331 HydrophobicContact CG2-CD2 4.32Å; V312-Y331 HydrophobicContact CG2-CG 3.77Å |
| 313 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -42.3 | 178.1 | -68.8 | 169.7 | 0 | 0 | 0 | 111.1 | I309 R310 H315 E317 I324 Y498 I501 F502 L505 | I309-I313 HydrophobicContact CG2-CD1 3.83Å; I309-I313 HydrophobicContact CG2-CG1 4.49Å; I309-I313 WeakPolarHBondContact O-CG1 3.31Å; I309-I313 PolarHBondContact O-N 3.39Å; R310-I313 PolarHBondContact O-N 2.8Å; I313-H315 VanDerWaalsContact C-N 3.34Å; I313-H315 PolarHBondContact O-N 3.49Å; I313-E317 WeakPolarHBondContact O-CA 3.36Å; I313-E317 PolarHBondContact O-N 2.74Å; I313-I324 HydrophobicContact CD1-CD1 3.9Å; I313-I324 HydrophobicContact CG1-CD1 3.65Å; I313-I324 HydrophobicContact CG1-CG1 3.97Å; I313-Y498 HydrophobicContact CD1-CD1 3.96Å; I313-Y498 HydrophobicContact CD1-CG 4.27Å; I313-I501 HydrophobicContact CB-CG2 4.24Å; I313-I501 HydrophobicContact CD1-CB 3.9Å; I313-I501 HydrophobicContact CD1-CD1 4.1Å; I313-I501 HydrophobicContact CD1-CG2 3.72Å; I313-I501 HydrophobicContact CG2-CG2 4.16Å; I313-F502 HydrophobicContact CG2-CB 4.11Å; I313-F502 HydrophobicContact CG2-CD2 4.3Å; I313-L505 HydrophobicContact CB-CD1 4.26Å; I313-L505 HydrophobicContact CG2-CD1 3.85Å |
| 314 | Y | 98.6 | Very high | 97.2 | Very high | 67 Ų | 67 | 30.8 Ų | 30.8 | 26% | 0.263 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 174.7 | 173.5 | -101.8 | 0 | 0 | 0 | 112.6 | K163 R310 D311 V312 L505 F506 | K163-Y314 HydrophobicContact CB-CE2 4.37Å; K163-Y314 HydrophobicContact CD-CE1 4.04Å; K163-Y314 HydrophobicContact CD-CE2 4.2Å; K163-Y314 WeakPolarHBondContact CE-O 3.44Å; K163-Y314 PolarHBondContact NZ-O 3.19Å; K163-Y314 VanDerWaalsContact NZ-O 3.13Å; R310-Y314 PolarHBondContact O-N 3.34Å; D311-Y314 WeakPolarHBondContact O-CB 3.34Å; D311-Y314 PolarHBondContact O-N 3.17Å; V312-Y314 VanDerWaalsContact C-N 3.29Å; V312-Y314 PolarHBondContact O-N 3.1Å; Y314-L505 HydrophobicContact CD2-CD2 4.25Å; Y314-F506 HydrophobicContact CD2-CZ 4.4Å |
| 315 | H | 98.5 | Very high | 97.1 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 10% | 0.102 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -77 | -44.8 | -177.8 | -78.5 | -66.7 | 0 | 0 | 0 | 113.1 | H30 K163 D311 V312 I313 Y331 K391 A395 | H30-H315 AromaticContact CD2-CE1 3.91Å; H30-H315 AromaticContact CD2-ND1 3.74Å; H30-H315 AromaticContact CE1-ND1 3.9Å; H30-H315 AromaticContact CG-CE1 3.87Å; H30-H315 AromaticContact NE2-ND1 3.58Å; K163-H315 PolarHBondContact NZ-O 3.18Å; D311-H315 PolarHBondContact O-CD2 3.07Å; D311-H315 PolarHBondContact O-N 2.89Å; V312-H315 PolarHBondContact O-N 3.12Å; I313-H315 VanDerWaalsContact C-N 3.34Å; I313-H315 PolarHBondContact O-N 3.49Å; H315-Y331 AromaticContact CD2-CE2 3.69Å; H315-K391 WeakPolarHBondContact O-CD 3.01Å; H315-A395 HydrophobicContact CB-CB 4.01Å |
| 316 | I | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -82 | -18.5 | -177.1 | 72.6 | 179.3 | 0 | 0 | 0 | 113.3 | V312 T318 T323 I324 S327 K391 A392 | V312-I316 HydrophobicContact CG1-CD1 3.86Å; V312-I316 HydrophobicContact CG1-CG1 4.39Å; V312-I316 HydrophobicContact CG1-CG2 4.4Å; V312-I316 VanDerWaalsContact O-CG1 3.29Å; V312-I316 WeakPolarHBondContact O-CG1 3.31Å; V312-I316 PolarHBondContact O-N 3.08Å; I316-T318 VanDerWaalsContact C-N 3.34Å; I316-T318 HydrophobicContact CB-CG2 4.32Å; I316-T318 HydrophobicContact CD1-CG2 3.58Å; I316-T318 HydrophobicContact CG1-CG2 3.6Å; I316-T318 PolarHBondContact O-N 3.27Å; I316-T323 HydrophobicContact CD1-CG2 4.12Å; I316-I324 HydrophobicContact CD1-CG1 3.78Å; I316-S327 WeakPolarHBondContact CD1-OG 3.35Å; I316-K391 HydrophobicContact CB-CB 4.35Å; I316-K391 HydrophobicContact CG2-CB 4.08Å; I316-K391 VanDerWaalsContact O-CD 3.26Å; I316-K391 WeakPolarHBondContact O-CD 3.08Å; I316-K391 PolarHBondContact O-NZ 2.87Å; I316-A392 HydrophobicContact CG2-CB 4.36Å |
| 317 | E | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.019 | 12% | 0.121 | C | C | . | . | trans | 60.5 | 40.5 | 173.3 | -45.2 | -178.3 | 132 | 0 | 0 | 113.2 | E161 M162 K163 I313 K391 F506 | E161-E317 WeakPolarHBondContact CA-OE2 3.36Å; E161-E317 WeakPolarHBondContact CB-OE1 3.34Å; M162-E317 HydrophobicContact CE-CB 4.01Å; M162-E317 VanDerWaalsContact N-CD 3.27Å; M162-E317 PolarHBondContact N-OE1 3.15Å; M162-E317 PolarHBondContact N-OE2 3.31Å; K163-E317 WeakPolarHBondContact CB-OE1 3.49Å; K163-E317 WeakPolarHBondContact CG-OE1 3.41Å; K163-E317 PolarHBondContact N-OE1 2.65Å; K163-E317 VanDerWaalsContact NZ-CD 3.26Å; K163-E317 IonicContact NZ-OE1 3.52Å; K163-E317 PolarHBondContact NZ-OE1 3.38Å; I313-E317 WeakPolarHBondContact O-CA 3.36Å; I313-E317 PolarHBondContact O-N 2.74Å; E317-K391 IonicContact OE2-NZ 2.79Å; E317-K391 PolarHBondContact OE2-NZ 3.24Å; E317-F506 HydrophobicContact CB-CE1 4.47Å; E317-F506 HydrophobicContact CB-CE2 4.41Å; E317-F506 HydrophobicContact CB-CZ 4.02Å; E317-F506 HydrophobicContact CG-CE1 4.16Å; E317-F506 HydrophobicContact CG-CZ 3.74Å | ||
| 318 | T | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 5% | 0.049 | 9% | 0.094 | C | C | . | . | trans | -143.3 | 155.2 | 176.2 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | I316 D320 T323 V515 | I316-T318 VanDerWaalsContact C-N 3.34Å; I316-T318 HydrophobicContact CB-CG2 4.32Å; I316-T318 HydrophobicContact CD1-CG2 3.58Å; I316-T318 HydrophobicContact CG1-CG2 3.6Å; I316-T318 PolarHBondContact O-N 3.27Å; T318-D320 WeakPolarHBondContact OG1-CB 3.41Å; T318-D320 PolarHBondContact OG1-N 3.01Å; T318-T323 HydrophobicContact CG2-CG2 3.79Å; T318-V515 VanDerWaalsContact OG1-CG1 3.28Å; T318-V515 WeakPolarHBondContact OG1-CG1 3.47Å | ||
| 319 | Y | 96.8 | Very high | 97 | Very high | 16 Ų | 16 | 19.3 Ų | 19.3 | 6% | 0.063 | 9% | 0.09 | C | C | . | . | trans | -104.8 | 7.6 | 168.5 | 55 | -99.1 | 0 | 0 | 0 | 112.8 | V321 Y487 N488 R499 F502 A512 V515 | Y319-V321 PolarHBondContact O-N 3.11Å; Y319-Y487 WeakPolarHBondContact OH-CE1 3.44Å; Y319-N488 HydrophobicContact CE2-CB 3.97Å; Y319-N488 WeakPolarHBondContact OH-CB 3.48Å; Y319-N488 PolarHBondContact OH-ND2 2.89Å; Y319-R499 VanDerWaalsContact CE1-NH1 3.33Å; Y319-R499 PolarHBondContact OH-NH1 2.94Å; Y319-R499 VanDerWaalsContact OH-NH1 3.11Å; Y319-F502 HydrophobicContact CD1-CB 4.15Å; Y319-F502 AromaticContact CD1-CD1 3.6Å; Y319-F502 HydrophobicContact CD1-CD1 3.6Å; Y319-F502 AromaticContact CD1-CD2 4Å; Y319-F502 HydrophobicContact CD1-CD2 4Å; Y319-F502 AromaticContact CD1-CE1 3.94Å; Y319-F502 HydrophobicContact CD1-CE1 3.94Å; Y319-F502 HydrophobicContact CD1-CE2 4.3Å; Y319-F502 AromaticContact CD1-CG 3.64Å; Y319-F502 HydrophobicContact CD1-CG 3.64Å; Y319-F502 HydrophobicContact CD1-CZ 4.27Å; Y319-F502 HydrophobicContact CE1-CD1 4.15Å; Y319-F502 HydrophobicContact CE1-CE1 4.11Å; Y319-F502 HydrophobicContact CE1-CZ 4.47Å; Y319-F502 HydrophobicContact CG-CG 4.43Å; Y319-A512 HydrophobicContact CE1-CB 4.1Å; Y319-A512 PolarHBondContact OH-O 3.47Å; Y319-V515 HydrophobicContact CD1-CB 3.99Å; Y319-V515 HydrophobicContact CD1-CG1 3.83Å; Y319-V515 HydrophobicContact CD1-CG2 3.77Å; Y319-V515 HydrophobicContact CD2-CG1 3.81Å; Y319-V515 HydrophobicContact CE1-CB 3.36Å; Y319-V515 HydrophobicContact CE1-CG1 3.53Å; Y319-V515 HydrophobicContact CE1-CG2 3.49Å; Y319-V515 VanDerWaalsContact CE1-CG2 3.49Å; Y319-V515 HydrophobicContact CE2-CB 4.15Å; Y319-V515 HydrophobicContact CE2-CG1 3.5Å; Y319-V515 VanDerWaalsContact CE2-CG1 3.5Å; Y319-V515 HydrophobicContact CG-CG1 3.95Å; Y319-V515 VanDerWaalsContact CZ-CB 3.42Å | ||
| 320 | D | 94.9 | Very high | 97 | Very high | 32 Ų | 32 | 18.9 Ų | 18.9 | 17% | 0.171 | 9% | 0.088 | C | C | . | . | trans | -63 | 123.6 | 176.8 | 174.4 | 61.2 | 0 | 0 | 0 | 111.3 | T318 T322 T323 I324 | T318-D320 WeakPolarHBondContact OG1-CB 3.41Å; T318-D320 PolarHBondContact OG1-N 3.01Å; D320-T322 PolarHBondContact O-N 3.4Å; D320-T322 WeakPolarHBondContact OD2-CB 3.16Å; D320-T322 PolarHBondContact OD2-N 3.08Å; D320-T323 PolarHBondContact O-N 3.36Å; D320-T323 VanDerWaalsContact OD2-CB 3.23Å; D320-T323 WeakPolarHBondContact OD2-CB 3.37Å; D320-T323 PolarHBondContact OD2-N 2.92Å; D320-T323 PolarHBondContact OD2-OG1 2.85Å; D320-I324 WeakPolarHBondContact O-CG1 3.46Å; D320-I324 PolarHBondContact O-N 3.04Å | ||
| 321 | V | 93.4 | Very high | 97 | Very high | 18 Ų | 18 | 14.6 Ų | 14.6 | 11% | 0.109 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | -173.6 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | Y319 I324 R325 E494 A495 Y498 P541 | Y319-V321 PolarHBondContact O-N 3.11Å; V321-I324 PolarHBondContact O-N 2.78Å; V321-R325 HydrophobicContact CG1-CG 4.4Å; V321-R325 WeakPolarHBondContact O-CB 3.38Å; V321-R325 VanDerWaalsContact O-CG 3.25Å; V321-R325 WeakPolarHBondContact O-CG 3.47Å; V321-R325 PolarHBondContact O-N 3.1Å; V321-E494 HydrophobicContact CG1-CG 4.39Å; V321-A495 HydrophobicContact CG2-CB 3.72Å; V321-Y498 HydrophobicContact CB-CD2 4.48Å; V321-Y498 HydrophobicContact CB-CE2 4.4Å; V321-Y498 HydrophobicContact CG1-CE2 4.31Å; V321-Y498 HydrophobicContact CG2-CD2 3.98Å; V321-Y498 HydrophobicContact CG2-CE2 4.23Å; V321-P541 HydrophobicContact CG1-CG 4.35Å |
| 322 | T | 91.7 | Very high | 97 | Very high | 24 Ų | 24 | 12 Ų | 12 | 15% | 0.147 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64 | -46.3 | -177.2 | -46.2 | 0 | 0 | 0 | 0 | 110.6 | D320 I324 R325 A326 P541 | D320-T322 PolarHBondContact O-N 3.4Å; D320-T322 WeakPolarHBondContact OD2-CB 3.16Å; D320-T322 PolarHBondContact OD2-N 3.08Å; T322-I324 PolarHBondContact O-N 3.18Å; T322-R325 PolarHBondContact O-N 3.2Å; T322-A326 WeakPolarHBondContact O-CB 3.47Å; T322-A326 PolarHBondContact O-N 3.07Å; T322-P541 HydrophobicContact CG2-CB 4.27Å; T322-P541 WeakPolarHBondContact OG1-CB 3.48Å |
| 323 | T | 95 | Very high | 97 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 3% | 0.025 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | -179.7 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | I316 T318 D320 S327 R388 | I316-T323 HydrophobicContact CD1-CG2 4.12Å; T318-T323 HydrophobicContact CG2-CG2 3.79Å; D320-T323 PolarHBondContact O-N 3.36Å; D320-T323 VanDerWaalsContact OD2-CB 3.23Å; D320-T323 WeakPolarHBondContact OD2-CB 3.37Å; D320-T323 PolarHBondContact OD2-N 2.92Å; D320-T323 PolarHBondContact OD2-OG1 2.85Å; T323-S327 WeakPolarHBondContact O-CB 3.47Å; T323-S327 PolarHBondContact O-N 3.26Å; T323-S327 PolarHBondContact O-OG 3Å; T323-R388 HydrophobicContact CG2-CB 3.98Å |
| 324 | I | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.3 | -47.2 | 177.2 | -69.8 | 162.8 | 0 | 0 | 0 | 111.7 | I309 I313 I316 D320 V321 T322 A326 S327 T328 Y498 | I309-I324 HydrophobicContact CD1-CG2 3.9Å; I313-I324 HydrophobicContact CD1-CD1 3.9Å; I313-I324 HydrophobicContact CG1-CD1 3.65Å; I313-I324 HydrophobicContact CG1-CG1 3.97Å; I316-I324 HydrophobicContact CD1-CG1 3.78Å; D320-I324 WeakPolarHBondContact O-CG1 3.46Å; D320-I324 PolarHBondContact O-N 3.04Å; V321-I324 PolarHBondContact O-N 2.78Å; T322-I324 PolarHBondContact O-N 3.18Å; I324-A326 VanDerWaalsContact C-N 3.27Å; I324-A326 PolarHBondContact O-N 3.2Å; I324-S327 PolarHBondContact O-N 3.48Å; I324-T328 PolarHBondContact O-N 3.47Å; I324-T328 VanDerWaalsContact O-N 3.12Å; I324-T328 PolarHBondContact O-OG1 2.87Å; I324-Y498 HydrophobicContact CB-CD2 4.21Å; I324-Y498 HydrophobicContact CB-CE2 3.97Å; I324-Y498 HydrophobicContact CD1-CD1 4.18Å; I324-Y498 HydrophobicContact CD1-CD2 3.35Å; I324-Y498 HydrophobicContact CD1-CE2 4.01Å; I324-Y498 HydrophobicContact CD1-CG 3.47Å; I324-Y498 VanDerWaalsContact CD1-CG 3.47Å; I324-Y498 HydrophobicContact CG1-CD2 4.38Å; I324-Y498 HydrophobicContact CG2-CD1 4.43Å; I324-Y498 HydrophobicContact CG2-CD2 4.25Å; I324-Y498 HydrophobicContact CG2-CE1 4.01Å; I324-Y498 HydrophobicContact CG2-CE2 3.8Å |
| 325 | R | 95.7 | Very high | 96.9 | Very high | 6 Ų | 6 | 16 Ų | 16 | 2% | 0.023 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -55 | -44.3 | 178 | -76.5 | 175.7 | 179.3 | 179.2 | 9.5 | 111.6 | V321 T322 P329 W461 L465 E494 D540 | V321-R325 HydrophobicContact CG1-CG 4.4Å; V321-R325 WeakPolarHBondContact O-CB 3.38Å; V321-R325 VanDerWaalsContact O-CG 3.25Å; V321-R325 WeakPolarHBondContact O-CG 3.47Å; V321-R325 PolarHBondContact O-N 3.1Å; T322-R325 PolarHBondContact O-N 3.2Å; R325-P329 WeakPolarHBondContact O-CD 3.21Å; R325-W461 PolarHBondContact O-NE1 3.02Å; R325-L465 HydrophobicContact CG-CD1 3.69Å; R325-E494 IonicContact CZ-OE1 3.76Å; R325-E494 IonicContact CZ-OE2 3.68Å; R325-E494 IonicContact NE-OE1 3.26Å; R325-E494 PolarHBondContact NE-OE1 3.25Å; R325-E494 IonicContact NE-OE2 2.72Å; R325-E494 PolarHBondContact NE-OE2 3.45Å; R325-E494 IonicContact NH2-OE1 3.19Å; R325-E494 IonicContact NH2-OE2 2.62Å; R325-E494 PolarHBondContact NH2-OE2 3.18Å; R325-D540 IonicContact NH1-OD1 3.35Å |
| 326 | A | 95.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 3% | 0.025 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -80.5 | -34.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T322 I324 T328 R388 F453 | T322-A326 WeakPolarHBondContact O-CB 3.47Å; T322-A326 PolarHBondContact O-N 3.07Å; I324-A326 VanDerWaalsContact C-N 3.27Å; I324-A326 PolarHBondContact O-N 3.2Å; A326-T328 VanDerWaalsContact C-N 3.32Å; A326-T328 PolarHBondContact O-N 3.13Å; A326-R388 VanDerWaalsContact CB-CD 3.47Å; A326-F453 HydrophobicContact CB-CD1 4.1Å; A326-F453 WeakPolarHBondContact O-CE1 3.42Å |
| 327 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.2 | -31.8 | 178.7 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | I316 T323 I324 M330 Y331 R388 | I316-S327 WeakPolarHBondContact CD1-OG 3.35Å; T323-S327 WeakPolarHBondContact O-CB 3.47Å; T323-S327 PolarHBondContact O-N 3.26Å; T323-S327 PolarHBondContact O-OG 3Å; I324-S327 PolarHBondContact O-N 3.48Å; S327-M330 CarbonylContact O-C 3.5Å; S327-M330 PolarHBondContact O-N 3.34Å; S327-Y331 VanDerWaalsContact O-CB 3.27Å; S327-Y331 WeakPolarHBondContact O-CB 3.15Å; S327-Y331 PolarHBondContact O-N 3.34Å; S327-R388 WeakPolarHBondContact OG-CG 3.5Å |
| 328 | T | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.5 | -51.7 | -172.4 | -56.9 | 0 | 0 | 0 | 0 | 113 | G305 A308 I309 V312 I324 A326 M330 Y331 L332 W461 | G305-T328 WeakPolarHBondContact O-CG2 3.41Å; A308-T328 HydrophobicContact CB-CG2 4.26Å; I309-T328 HydrophobicContact CD1-CG2 4.32Å; V312-T328 HydrophobicContact CG2-CG2 4.31Å; I324-T328 PolarHBondContact O-N 3.47Å; I324-T328 VanDerWaalsContact O-N 3.12Å; I324-T328 PolarHBondContact O-OG1 2.87Å; A326-T328 VanDerWaalsContact C-N 3.32Å; A326-T328 PolarHBondContact O-N 3.13Å; T328-M330 VanDerWaalsContact C-N 3.28Å; T328-M330 PolarHBondContact O-N 2.78Å; T328-Y331 PolarHBondContact O-N 3.45Å; T328-L332 WeakPolarHBondContact O-CG 3.38Å; T328-L332 PolarHBondContact O-N 2.9Å; T328-L332 VanDerWaalsContact O-N 3.14Å; T328-W461 HydrophobicContact CG2-CH2 3.83Å; T328-W461 HydrophobicContact CG2-CZ2 3.68Å |
| 329 | P | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.2 | -38.8 | 171.7 | -22.8 | 32.8 | 0 | 0 | 0 | 112.7 | V273 F300 R325 L332 M333 F453 V457 | V273-P329 HydrophobicContact CG1-CB 3.85Å; V273-P329 HydrophobicContact CG2-CB 4.1Å; F300-P329 HydrophobicContact CE1-CB 4.12Å; F300-P329 HydrophobicContact CE1-CG 4.19Å; F300-P329 HydrophobicContact CZ-CB 4.37Å; F300-P329 HydrophobicContact CZ-CG 3.97Å; R325-P329 WeakPolarHBondContact O-CD 3.21Å; P329-L332 PolarHBondContact O-N 3.1Å; P329-M333 VanDerWaalsContact O-CB 3.28Å; P329-M333 WeakPolarHBondContact O-CB 3.3Å; P329-M333 PolarHBondContact O-N 3.23Å; P329-F453 HydrophobicContact CB-CE1 4.3Å; P329-F453 HydrophobicContact CB-CZ 4.21Å; P329-V457 HydrophobicContact CB-CG1 3.95Å; P329-V457 HydrophobicContact CG-CB 4.33Å; P329-V457 HydrophobicContact CG-CG1 4.01Å; P329-V457 HydrophobicContact CG-CG2 4Å |
| 330 | M | 98 | Very high | 96.6 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | -179.5 | -165.9 | 168.6 | -170.8 | 0 | 0 | 112.5 | L233 S327 T328 M333 S334 R388 A389 A392 M393 F453 | L233-M330 HydrophobicContact CD1-CE 3.64Å; S327-M330 CarbonylContact O-C 3.5Å; S327-M330 PolarHBondContact O-N 3.34Å; T328-M330 VanDerWaalsContact C-N 3.28Å; T328-M330 PolarHBondContact O-N 2.78Å; M330-M333 HydrophobicContact CG-CE 4.22Å; M330-M333 PolarHBondContact O-N 3.44Å; M330-S334 WeakPolarHBondContact O-CB 3.26Å; M330-S334 PolarHBondContact O-N 2.84Å; M330-R388 HydrophobicContact SD-CG 4.08Å; M330-A389 VanDerWaalsContact CE-CA 3.48Å; M330-A389 HydrophobicContact CE-CB 3.71Å; M330-A389 HydrophobicContact SD-CB 4.41Å; M330-A392 HydrophobicContact CB-CB 4.08Å; M330-A392 HydrophobicContact CG-CB 4.11Å; M330-A392 HydrophobicContact SD-CB 4.4Å; M330-M393 HydrophobicContact CE-CG 3.39Å; M330-M393 HydrophobicContact CE-SD 3.75Å; M330-M393 HydrophobicContact CG-CG 4.07Å; M330-M393 HydrophobicContact CG-SD 3.57Å; M330-M393 VanDerWaalsContact CG-SD 3.57Å; M330-M393 HydrophobicContact SD-CG 4.34Å; M330-M393 HydrophobicContact SD-SD 4.48Å; M330-F453 HydrophobicContact CB-CE1 4.33Å |
| 331 | Y | 98.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 173.6 | 170.3 | -92.3 | 0 | 0 | 0 | 111.4 | A308 V312 H315 S327 T328 S334 R335 A395 W396 | A308-Y331 HydrophobicContact CB-CD1 4.24Å; A308-Y331 HydrophobicContact CB-CE1 4.19Å; V312-Y331 HydrophobicContact CG2-CD1 3.89Å; V312-Y331 HydrophobicContact CG2-CD2 4.32Å; V312-Y331 HydrophobicContact CG2-CG 3.77Å; H315-Y331 AromaticContact CD2-CE2 3.69Å; S327-Y331 VanDerWaalsContact O-CB 3.27Å; S327-Y331 WeakPolarHBondContact O-CB 3.15Å; S327-Y331 PolarHBondContact O-N 3.34Å; T328-Y331 PolarHBondContact O-N 3.45Å; Y331-S334 PolarHBondContact O-N 3.38Å; Y331-R335 PolarHBondContact O-N 2.98Å; Y331-A395 HydrophobicContact CD2-CB 3.59Å; Y331-A395 HydrophobicContact CE2-CB 3.62Å; Y331-W396 AromaticContact CD2-NE1 3.55Å; Y331-W396 HydrophobicContact CE1-CZ2 4.1Å; Y331-W396 AromaticContact CE1-NE1 3.8Å; Y331-W396 AromaticContact CE2-CE2 3.94Å; Y331-W396 HydrophobicContact CE2-CZ2 4.22Å; Y331-W396 AromaticContact CE2-NE1 3.3Å; Y331-W396 VanDerWaalsContact CE2-NE1 3.3Å; Y331-W396 AromaticContact CG-NE1 3.92Å; Y331-W396 AromaticContact CZ-CE2 3.78Å; Y331-W396 AromaticContact CZ-CZ2 3.62Å; Y331-W396 AromaticContact CZ-NE1 3.44Å; Y331-W396 VanDerWaalsContact O-CD1 3.26Å; Y331-W396 PolarHBondContact O-NE1 3.22Å; Y331-W396 VanDerWaalsContact OH-CZ2 3.25Å; Y331-W396 WeakPolarHBondContact OH-CZ2 3.32Å |
| 332 | L | 98.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 14% | 0.141 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.4 | -65.8 | 174.9 | 0 | 0 | 0 | 111.8 | F300 A308 T328 P329 R335 | F300-L332 HydrophobicContact CB-CD1 3.74Å; F300-L332 HydrophobicContact CD2-CD1 3.79Å; F300-L332 HydrophobicContact CG-CD1 3.92Å; A308-L332 HydrophobicContact CB-CD2 4.17Å; T328-L332 WeakPolarHBondContact O-CG 3.38Å; T328-L332 PolarHBondContact O-N 2.9Å; T328-L332 VanDerWaalsContact O-N 3.14Å; P329-L332 PolarHBondContact O-N 3.1Å; L332-R335 WeakPolarHBondContact O-CB 3.18Å; L332-R335 PolarHBondContact O-N 2.94Å |
| 333 | M | 98.2 | Very high | 96.8 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 175.2 | -175.9 | 174.8 | 57.1 | 0 | 0 | 111.7 | L233 F271 V273 I298 P329 M330 R335 K336 I337 M393 | L233-M333 HydrophobicContact CD1-CE 4.14Å; L233-M333 HydrophobicContact CD2-CE 3.58Å; L233-M333 HydrophobicContact CD2-SD 4.16Å; L233-M333 HydrophobicContact CG-CE 4.4Å; F271-M333 HydrophobicContact CB-SD 4.14Å; V273-M333 HydrophobicContact CB-CB 3.86Å; V273-M333 HydrophobicContact CB-CG 4.08Å; V273-M333 HydrophobicContact CB-SD 3.84Å; V273-M333 HydrophobicContact CG1-CB 3.99Å; V273-M333 HydrophobicContact CG1-CE 4.14Å; V273-M333 HydrophobicContact CG1-CG 4.32Å; V273-M333 HydrophobicContact CG1-SD 3.7Å; V273-M333 HydrophobicContact CG2-CB 4.18Å; I298-M333 HydrophobicContact CD1-CB 4.4Å; I298-M333 HydrophobicContact CD1-CG 3.63Å; P329-M333 VanDerWaalsContact O-CB 3.28Å; P329-M333 WeakPolarHBondContact O-CB 3.3Å; P329-M333 PolarHBondContact O-N 3.23Å; M330-M333 HydrophobicContact CG-CE 4.22Å; M330-M333 PolarHBondContact O-N 3.44Å; M333-R335 VanDerWaalsContact C-N 3.26Å; M333-R335 PolarHBondContact O-N 2.83Å; M333-K336 WeakPolarHBondContact O-CB 3.48Å; M333-K336 PolarHBondContact O-N 2.62Å; M333-I337 HydrophobicContact CG-CD1 3.74Å; M333-I337 HydrophobicContact CG-CG1 4.32Å; M333-I337 WeakPolarHBondContact O-CG1 3.49Å; M333-I337 PolarHBondContact O-N 3.26Å; M333-I337 HydrophobicContact SD-CD1 4.36Å; M333-M393 HydrophobicContact CE-SD 4.47Å |
| 334 | S | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.1 | -39.2 | -179.9 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | M330 Y331 K336 I337 K338 M393 V398 | M330-S334 WeakPolarHBondContact O-CB 3.26Å; M330-S334 PolarHBondContact O-N 2.84Å; Y331-S334 PolarHBondContact O-N 3.38Å; S334-K336 VanDerWaalsContact C-N 3.3Å; S334-K336 PolarHBondContact O-N 3.31Å; S334-I337 PolarHBondContact O-N 3.3Å; S334-K338 WeakPolarHBondContact O-CB 3.5Å; S334-K338 PolarHBondContact O-N 2.93Å; S334-M393 WeakPolarHBondContact OG-CA 3.35Å; S334-M393 PolarHBondContact OG-O 3.15Å; S334-V398 WeakPolarHBondContact OG-CG2 3.49Å |
| 335 | R | 97.2 | Very high | 96.9 | Very high | 143 Ų | 143 | 30.8 Ų | 30.8 | 54% | 0.54 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -57 | -42.7 | 175.1 | -168.9 | 179.3 | 179 | -177.7 | -1.2 | 112.5 | Y331 L332 M333 A339 W396 | Y331-R335 PolarHBondContact O-N 2.98Å; L332-R335 WeakPolarHBondContact O-CB 3.18Å; L332-R335 PolarHBondContact O-N 2.94Å; M333-R335 VanDerWaalsContact C-N 3.26Å; M333-R335 PolarHBondContact O-N 2.83Å; R335-A339 PolarHBondContact O-N 3.12Å; R335-A339 VanDerWaalsContact O-N 3.13Å; R335-W396 HydrophobicContact CB-CD2 3.76Å; R335-W396 HydrophobicContact CB-CE3 4.41Å; R335-W396 HydrophobicContact CB-CG 3.92Å; R335-W396 HydrophobicContact CB-CZ2 4.13Å; R335-W396 VanDerWaalsContact CD-CZ2 3.5Å; R335-W396 HydrophobicContact CG-CD2 3.75Å; R335-W396 HydrophobicContact CG-CE3 3.91Å; R335-W396 HydrophobicContact CG-CG 4.39Å; R335-W396 HydrophobicContact CG-CH2 3.98Å; R335-W396 HydrophobicContact CG-CZ2 3.81Å; R335-W396 HydrophobicContact CG-CZ3 4.03Å |
| 336 | K | 97.3 | Very high | 97.1 | Very high | 123 Ų | 123 | 30.5 Ų | 30.5 | 54% | 0.535 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -72 | -41.7 | 178.8 | -63.9 | -69.3 | -173.3 | 174.8 | 0 | 111.4 | I298 M333 S334 K338 A339 M340 | I298-K336 HydrophobicContact CD1-CB 3.67Å; I298-K336 HydrophobicContact CD1-CG 4.31Å; I298-K336 HydrophobicContact CG1-CB 4.09Å; I298-K336 HydrophobicContact CG1-CG 4.3Å; I298-K336 HydrophobicContact CG2-CB 4.48Å; I298-K336 HydrophobicContact CG2-CG 3.91Å; M333-K336 WeakPolarHBondContact O-CB 3.48Å; M333-K336 PolarHBondContact O-N 2.62Å; S334-K336 VanDerWaalsContact C-N 3.3Å; S334-K336 PolarHBondContact O-N 3.31Å; K336-K338 VanDerWaalsContact C-N 3.33Å; K336-K338 PolarHBondContact O-N 3.23Å; K336-A339 WeakPolarHBondContact O-CB 3.15Å; K336-A339 PolarHBondContact O-N 2.97Å; K336-A339 VanDerWaalsContact O-N 3.15Å; K336-M340 WeakPolarHBondContact O-CG 3.42Å; K336-M340 PolarHBondContact O-N 2.76Å |
| 337 | I | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 174.5 | -68.8 | 170 | 0 | 0 | 0 | 110.3 | L233 F271 M333 S334 A339 M340 I342 V345 M393 V398 | L233-I337 HydrophobicContact CD2-CD1 3.8Å; F271-I337 HydrophobicContact CB-CD1 3.93Å; F271-I337 HydrophobicContact CB-CG1 4.19Å; F271-I337 HydrophobicContact CD1-CD1 4.25Å; F271-I337 HydrophobicContact CD1-CG1 3.56Å; F271-I337 HydrophobicContact CD2-CD1 4.09Å; F271-I337 HydrophobicContact CD2-CG1 4Å; F271-I337 HydrophobicContact CE1-CG1 3.88Å; F271-I337 HydrophobicContact CE2-CG1 4.28Å; F271-I337 HydrophobicContact CE2-CG2 4.49Å; F271-I337 HydrophobicContact CG-CD1 3.82Å; F271-I337 HydrophobicContact CG-CG1 3.63Å; F271-I337 HydrophobicContact CZ-CG1 4.23Å; M333-I337 HydrophobicContact CG-CD1 3.74Å; M333-I337 HydrophobicContact CG-CG1 4.32Å; M333-I337 WeakPolarHBondContact O-CG1 3.49Å; M333-I337 PolarHBondContact O-N 3.26Å; M333-I337 HydrophobicContact SD-CD1 4.36Å; S334-I337 PolarHBondContact O-N 3.3Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-A339 PolarHBondContact O-N 2.82Å; I337-M340 WeakPolarHBondContact O-CB 3.24Å; I337-M340 PolarHBondContact O-N 2.71Å; I337-M340 VanDerWaalsContact O-N 3.08Å; I337-I342 HydrophobicContact CG2-CB 3.62Å; I337-I342 HydrophobicContact CG2-CG1 4.49Å; I337-I342 HydrophobicContact CG2-CG2 3.64Å; I337-I342 PolarHBondContact O-N 3.41Å; I337-V345 HydrophobicContact CD1-CG1 4.36Å; I337-V345 HydrophobicContact CG2-CG1 4.07Å; I337-M393 HydrophobicContact CD1-CE 3.82Å; I337-V398 HydrophobicContact CB-CG2 4.46Å; I337-V398 HydrophobicContact CG2-CG1 4.01Å; I337-V398 HydrophobicContact CG2-CG2 4.05Å |
| 338 | K | 96.3 | Very high | 97.2 | Very high | 59 Ų | 59 | 31.1 Ų | 31.1 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 176 | 178.6 | 61 | 169.6 | -168.4 | 0 | 112.3 | S334 K336 M340 G341 W396 V398 | S334-K338 WeakPolarHBondContact O-CB 3.5Å; S334-K338 PolarHBondContact O-N 2.93Å; K336-K338 VanDerWaalsContact C-N 3.33Å; K336-K338 PolarHBondContact O-N 3.23Å; K338-M340 PolarHBondContact O-N 3.29Å; K338-G341 PolarHBondContact O-N 2.79Å; K338-W396 HydrophobicContact CB-CB 4.15Å; K338-W396 WeakPolarHBondContact CD-O 2.8Å; K338-W396 WeakPolarHBondContact CG-O 3.21Å; K338-V398 HydrophobicContact CB-CG2 3.97Å |
| 339 | A | 96.3 | Very high | 97.1 | Very high | 87 Ų | 87 | 32 Ų | 32 | 72% | 0.719 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -62.6 | -21.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R335 K336 I337 G341 | R335-A339 PolarHBondContact O-N 3.12Å; R335-A339 VanDerWaalsContact O-N 3.13Å; K336-A339 WeakPolarHBondContact O-CB 3.15Å; K336-A339 PolarHBondContact O-N 2.97Å; K336-A339 VanDerWaalsContact O-N 3.15Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-A339 PolarHBondContact O-N 2.82Å; A339-G341 VanDerWaalsContact C-N 3.33Å |
| 340 | M | 95 | Very high | 97.1 | Very high | 84 Ų | 84 | 32 Ų | 32 | 41% | 0.414 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.2 | 174.4 | -66 | 179.4 | 69.8 | 0 | 0 | 113.7 | F271 H296 K336 I337 K338 I342 | F271-M340 HydrophobicContact CE1-CE 4.27Å; F271-M340 HydrophobicContact CE1-SD 3.66Å; F271-M340 HydrophobicContact CZ-SD 4.3Å; H296-M340 WeakPolarHBondContact CE1-CE 3.36Å; H296-M340 VanDerWaalsContact ND1-CE 3.34Å; H296-M340 WeakPolarHBondContact ND1-CE 3.31Å; K336-M340 WeakPolarHBondContact O-CG 3.42Å; K336-M340 PolarHBondContact O-N 2.76Å; I337-M340 WeakPolarHBondContact O-CB 3.24Å; I337-M340 PolarHBondContact O-N 2.71Å; I337-M340 VanDerWaalsContact O-N 3.08Å; K338-M340 PolarHBondContact O-N 3.29Å; M340-I342 VanDerWaalsContact C-N 3.29Å; M340-I342 PolarHBondContact O-N 3.21Å |
| 341 | G | 93.6 | Very high | 97.1 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 40% | 0.402 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 5.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K338 A339 | K338-G341 PolarHBondContact O-N 2.79Å; A339-G341 VanDerWaalsContact C-N 3.33Å |
| 342 | I | 95.5 | Very high | 97.1 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.046 | 17% | 0.168 | C | C | . | . | trans | -75.2 | 126.9 | 173.5 | -59.1 | -56.2 | 0 | 0 | 0 | 109 | P229 F271 I337 M340 M344 V345 | P229-I342 HydrophobicContact CB-CD1 3.65Å; F271-I342 HydrophobicContact CE2-CG1 4.2Å; F271-I342 HydrophobicContact CZ-CG1 3.89Å; I337-I342 HydrophobicContact CG2-CB 3.62Å; I337-I342 HydrophobicContact CG2-CG1 4.49Å; I337-I342 HydrophobicContact CG2-CG2 3.64Å; I337-I342 PolarHBondContact O-N 3.41Å; M340-I342 VanDerWaalsContact C-N 3.29Å; M340-I342 PolarHBondContact O-N 3.21Å; I342-M344 VanDerWaalsContact CG2-O 3.23Å; I342-M344 WeakPolarHBondContact CG2-O 3.28Å; I342-V345 HydrophobicContact CG2-CG1 3.98Å | ||
| 343 | K | 95.1 | Very high | 97 | Very high | 40 Ų | 40 | 30.2 Ų | 30.2 | 17% | 0.174 | 16% | 0.162 | C | C | . | . | trans | -104.5 | -20.5 | -179 | -69 | -165.8 | -176.1 | -172.8 | 0 | 113.7 | D34 L51 S52 V228 P229 V398 E399 | D34-K343 IonicContact OD1-NZ 2.7Å; D34-K343 IonicContact OD2-NZ 3.64Å; D34-K343 PolarHBondContact OD2-NZ 3.16Å; L51-K343 HydrophobicContact CD1-CD 4.15Å; L51-K343 HydrophobicContact CD2-CB 4.47Å; S52-K343 PolarHBondContact O-NZ 3.38Å; S52-K343 VanDerWaalsContact O-NZ 3.14Å; V228-K343 HydrophobicContact CB-CD 4.14Å; V228-K343 HydrophobicContact CG1-CD 4.16Å; V228-K343 HydrophobicContact CG2-CB 3.87Å; V228-K343 HydrophobicContact CG2-CD 4.08Å; V228-K343 HydrophobicContact CG2-CG 4.41Å; P229-K343 PolarHBondContact O-N 3.38Å; P229-K343 VanDerWaalsContact O-N 3.07Å; K343-V398 CarbonylContact O-C 3.56Å; K343-V398 WeakPolarHBondContact O-CA 3.36Å; K343-E399 PolarHBondContact O-N 3.31Å | ||
| 344 | M | 96.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 142.7 | -176.7 | -177.5 | -82 | -78.7 | 0 | 0 | 110.1 | I53 Y230 G231 I342 L346 E399 R401 | I53-M344 HydrophobicContact CD1-CB 4.23Å; Y230-M344 CarbonylContact C-O 3.6Å; Y230-M344 WeakPolarHBondContact CA-O 3.34Å; Y230-M344 WeakPolarHBondContact CB-O 3.25Å; Y230-M344 HydrophobicContact CD1-CE 4.22Å; Y230-M344 HydrophobicContact CD2-CE 4.38Å; Y230-M344 HydrophobicContact CG-CE 3.77Å; G231-M344 PolarHBondContact N-O 3.19Å; I342-M344 VanDerWaalsContact CG2-O 3.23Å; I342-M344 WeakPolarHBondContact CG2-O 3.28Å; M344-L346 HydrophobicContact CE-CD1 3.97Å; M344-L346 HydrophobicContact SD-CD1 3.69Å; M344-L346 HydrophobicContact SD-CG 4.37Å; M344-E399 CarbonylContact C-O 3.58Å; M344-E399 VanDerWaalsContact CA-O 3.31Å; M344-E399 WeakPolarHBondContact CA-O 3.25Å; M344-E399 HydrophobicContact CB-CB 4.34Å; M344-E399 HydrophobicContact CG-CB 4.25Å; M344-E399 HydrophobicContact CG-CG 4.4Å; M344-R401 HydrophobicContact CG-CG 4.01Å; M344-R401 HydrophobicContact SD-CB 4.39Å; M344-R401 HydrophobicContact SD-CG 4.07Å |
| 345 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 147.2 | 171.5 | -63.4 | 0 | 0 | 0 | 0 | 111 | G231 L233 I337 I342 M393 V398 E399 A400 R401 | G231-V345 VanDerWaalsContact O-CA 3.24Å; G231-V345 WeakPolarHBondContact O-CA 3.43Å; L233-V345 HydrophobicContact CD1-CG2 4.13Å; L233-V345 HydrophobicContact CD2-CB 4.14Å; L233-V345 HydrophobicContact CD2-CG1 4.26Å; L233-V345 HydrophobicContact CD2-CG2 3.88Å; L233-V345 HydrophobicContact CG-CB 4.15Å; L233-V345 HydrophobicContact CG-CG2 3.8Å; I337-V345 HydrophobicContact CD1-CG1 4.36Å; I337-V345 HydrophobicContact CG2-CG1 4.07Å; I342-V345 HydrophobicContact CG2-CG1 3.98Å; V345-M393 HydrophobicContact CG2-CE 3.65Å; V345-V398 HydrophobicContact CG1-CG1 4.22Å; V345-V398 HydrophobicContact CG2-CG1 4.15Å; V345-E399 PolarHBondContact N-O 3.31Å; V345-A400 HydrophobicContact CG2-CB 4.4Å; V345-A400 CarbonylContact O-C 3.49Å; V345-A400 WeakPolarHBondContact O-CA 3.47Å; V345-R401 PolarHBondContact O-N 2.81Å |
| 346 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 141.1 | 167 | -64.4 | 83.8 | 0 | 0 | 0 | 109.7 | V220 H223 L224 Y230 G231 V232 L233 I243 M344 R401 P403 | V220-L346 HydrophobicContact CG1-CD2 4.03Å; H223-L346 HydrophobicContact CB-CD2 3.93Å; L224-L346 HydrophobicContact CD2-CD1 3.81Å; L224-L346 HydrophobicContact CD2-CD2 4.04Å; Y230-L346 HydrophobicContact CD2-CD1 4.38Å; G231-L346 PolarHBondContact O-N 3.25Å; G231-L346 VanDerWaalsContact O-N 3.08Å; V232-L346 HydrophobicContact CG1-CB 4.31Å; L233-L346 PolarHBondContact N-O 3.47Å; I243-L346 HydrophobicContact CG2-CB 3.73Å; I243-L346 HydrophobicContact CG2-CD2 4.43Å; M344-L346 HydrophobicContact CE-CD1 3.97Å; M344-L346 HydrophobicContact SD-CD1 3.69Å; M344-L346 HydrophobicContact SD-CG 4.37Å; L346-R401 WeakPolarHBondContact CA-O 3.44Å; L346-R401 HydrophobicContact CG-CB 4.36Å; L346-P403 HydrophobicContact CD2-CG 3.85Å |
| 347 | S | 97.9 | Very high | 97 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 6% | 0.056 | 11% | 0.109 | C | C | . | . | trans | -125.9 | 156.2 | -179.2 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | E349 R401 P403 | S347-E349 VanDerWaalsContact C-N 3.27Å; S347-E349 PolarHBondContact O-N 3.04Å; S347-E349 WeakPolarHBondContact OG-CG 3.47Å; S347-R401 PolarHBondContact N-O 3.22Å; S347-P403 WeakPolarHBondContact O-CD 3.14Å | ||
| 348 | G | 97.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 8% | 0.082 | 11% | 0.111 | C | C | . | . | trans | -84.7 | 14 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 349 | E | 97.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 15.3 Ų | 15.3 | 8% | 0.084 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 144.6 | -178.8 | -53.6 | -59.9 | 174.3 | 0 | 0 | 112.1 | S347 R388 A389 V402 F404 | S347-E349 VanDerWaalsContact C-N 3.27Å; S347-E349 PolarHBondContact O-N 3.04Å; S347-E349 WeakPolarHBondContact OG-CG 3.47Å; E349-R388 IonicContact OE1-CZ 2.9Å; E349-R388 IonicContact OE1-NE 3.52Å; E349-R388 IonicContact OE1-NH2 3.78Å; E349-R388 PolarHBondContact OE1-NH2 3.03Å; E349-R388 IonicContact OE2-CZ 3.87Å; E349-R388 IonicContact OE2-NH2 3.58Å; E349-R388 PolarHBondContact OE2-NH2 3.28Å; E349-A389 HydrophobicContact CG-CB 3.74Å; E349-V402 HydrophobicContact CB-CB 4.32Å; E349-V402 HydrophobicContact CB-CG1 3.64Å; E349-V402 HydrophobicContact CG-CG1 3.82Å; E349-F404 WeakPolarHBondContact O-CB 3.41Å |
| 350 | G | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -20.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D352 E353 V354 L405 | G350-D352 VanDerWaalsContact C-N 3.32Å; G350-D352 PolarHBondContact O-N 2.71Å; G350-E353 VanDerWaalsContact C-OE2 3.27Å; G350-E353 WeakPolarHBondContact CA-OE2 3.1Å; G350-E353 PolarHBondContact O-N 3.43Å; G350-V354 VanDerWaalsContact O-CG2 3.26Å; G350-V354 WeakPolarHBondContact O-CG2 3.44Å; G350-V354 PolarHBondContact O-N 3.31Å; G350-L405 VanDerWaalsContact CA-CD2 3.5Å |
| 351 | S | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | -179 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | D239 E353 F355 K430 L433 | D239-S351 VanDerWaalsContact CG-CB 3.42Å; D239-S351 VanDerWaalsContact OD1-CB 3.23Å; D239-S351 WeakPolarHBondContact OD1-CB 3.28Å; D239-S351 PolarHBondContact OD1-OG 2.99Å; S351-E353 VanDerWaalsContact C-N 3.33Å; S351-E353 PolarHBondContact O-N 2.85Å; S351-F355 WeakPolarHBondContact O-CB 3.33Å; S351-F355 WeakPolarHBondContact O-CD2 3.5Å; S351-F355 PolarHBondContact O-N 3.16Å; S351-F355 VanDerWaalsContact O-N 3.07Å; S351-K430 WeakPolarHBondContact O-CE 3.06Å; S351-K430 WeakPolarHBondContact OG-CE 3.27Å; S351-K430 PolarHBondContact OG-NZ 3.16Å; S351-L433 WeakPolarHBondContact OG-CD2 3.44Å |
| 352 | D | 97.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 8.1 Ų | 8.1 | 5% | 0.048 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | 177.5 | -66.1 | -66.6 | 0 | 0 | 0 | 112.6 | G350 G356 G357 Y358 K430 K450 | G350-D352 VanDerWaalsContact C-N 3.32Å; G350-D352 PolarHBondContact O-N 2.71Å; D352-G356 CarbonylContact O-C 3.55Å; D352-G356 WeakPolarHBondContact O-CA 3.38Å; D352-G356 PolarHBondContact O-N 2.61Å; D352-G357 PolarHBondContact O-N 2.89Å; D352-G357 WeakPolarHBondContact OD1-CA 3.43Å; D352-Y358 HydrophobicContact CB-CD1 4.45Å; D352-Y358 HydrophobicContact CB-CD2 3.99Å; D352-Y358 HydrophobicContact CB-CE1 4.1Å; D352-Y358 HydrophobicContact CB-CE2 3.58Å; D352-Y358 HydrophobicContact CB-CG 4.4Å; D352-K430 WeakPolarHBondContact OD1-CE 3.43Å; D352-K430 IonicContact OD1-NZ 2.72Å; D352-K430 PolarHBondContact OD1-NZ 2.8Å; D352-K430 IonicContact OD2-NZ 3.14Å; D352-K450 VanDerWaalsContact OD1-CE 3.25Å; D352-K450 WeakPolarHBondContact OD1-CE 3.44Å; D352-K450 IonicContact OD1-NZ 2.65Å; D352-K450 PolarHBondContact OD1-NZ 3.43Å; D352-K450 IonicContact OD2-NZ 3.44Å; D352-K450 PolarHBondContact OD2-NZ 2.91Å |
| 353 | E | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.009 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -72.1 | -41.2 | 177.7 | -66.6 | 70.5 | -151.2 | 0 | 0 | 111.9 | G350 S351 Y358 T374 K377 L378 L381 | G350-E353 VanDerWaalsContact C-OE2 3.27Å; G350-E353 WeakPolarHBondContact CA-OE2 3.1Å; G350-E353 PolarHBondContact O-N 3.43Å; S351-E353 VanDerWaalsContact C-N 3.33Å; S351-E353 PolarHBondContact O-N 2.85Å; E353-Y358 WeakPolarHBondContact OE1-CE2 3.34Å; E353-Y358 VanDerWaalsContact OE1-CZ 3.28Å; E353-Y358 PolarHBondContact OE1-OH 3.02Å; E353-T374 WeakPolarHBondContact O-CA 3.37Å; E353-T374 WeakPolarHBondContact O-CB 3.2Å; E353-T374 WeakPolarHBondContact O-CG2 3.28Å; E353-K377 HydrophobicContact CB-CB 4.26Å; E353-K377 HydrophobicContact CG-CB 3.8Å; E353-L378 HydrophobicContact CB-CD2 3.63Å; E353-L378 HydrophobicContact CB-CG 3.87Å; E353-L381 VanDerWaalsContact CD-CD1 3.45Å; E353-L381 HydrophobicContact CG-CD1 3.69Å; E353-L381 HydrophobicContact CG-CD2 4.1Å; E353-L381 HydrophobicContact CG-CG 4.44Å; E353-L381 WeakPolarHBondContact OE1-CD1 3.32Å |
| 354 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -70.4 | -38.4 | -179.1 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | G350 L378 F409 L410 A413 M414 K421 | G350-V354 VanDerWaalsContact O-CG2 3.26Å; G350-V354 WeakPolarHBondContact O-CG2 3.44Å; G350-V354 PolarHBondContact O-N 3.31Å; V354-L378 HydrophobicContact CG2-CD1 4.41Å; V354-L378 HydrophobicContact CG2-CD2 3.87Å; V354-F409 HydrophobicContact CG1-CE1 4.36Å; V354-L410 HydrophobicContact CG2-CD2 3.43Å; V354-L410 VanDerWaalsContact CG2-CD2 3.43Å; V354-A413 HydrophobicContact CG1-CB 3.56Å; V354-M414 HydrophobicContact CB-SD 4.42Å; V354-M414 HydrophobicContact CG1-SD 4Å; V354-K421 WeakPolarHBondContact O-CE 3.46Å; V354-K421 PolarHBondContact O-NZ 3.31Å |
| 355 | F | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -115.5 | 5.9 | -168.6 | -65.5 | -74.6 | 0 | 0 | 0 | 115.2 | L212 S351 F404 F409 A413 I416 K430 I432 L433 | L212-F355 HydrophobicContact CD1-CE1 4.36Å; L212-F355 HydrophobicContact CD1-CZ 4.07Å; L212-F355 HydrophobicContact CD2-CE1 3.91Å; L212-F355 HydrophobicContact CD2-CZ 4.18Å; S351-F355 WeakPolarHBondContact O-CB 3.33Å; S351-F355 WeakPolarHBondContact O-CD2 3.5Å; S351-F355 PolarHBondContact O-N 3.16Å; S351-F355 VanDerWaalsContact O-N 3.07Å; F355-F404 HydrophobicContact CE2-CD1 4.17Å; F355-F404 HydrophobicContact CE2-CE1 4.11Å; F355-F409 HydrophobicContact CE2-CE1 4.43Å; F355-F409 AromaticContact CE2-CZ 3.87Å; F355-F409 HydrophobicContact CE2-CZ 3.87Å; F355-F409 AromaticContact CZ-CZ 3.84Å; F355-F409 HydrophobicContact CZ-CZ 3.84Å; F355-A413 HydrophobicContact CE1-CB 4.45Å; F355-A413 HydrophobicContact CZ-CB 4.01Å; F355-I416 HydrophobicContact CE1-CD1 4.12Å; F355-K430 HydrophobicContact CB-CB 4.38Å; F355-K430 HydrophobicContact CB-CG 3.82Å; F355-I432 HydrophobicContact CD1-CG2 4.03Å; F355-I432 HydrophobicContact CE1-CG2 4.37Å; F355-L433 HydrophobicContact CD1-CB 4.39Å; F355-L433 HydrophobicContact CD2-CB 4.47Å; F355-L433 HydrophobicContact CD2-CD2 3.89Å; F355-L433 HydrophobicContact CE1-CB 4.48Å; F355-L433 HydrophobicContact CE2-CD1 3.9Å; F355-L433 HydrophobicContact CE2-CD2 4.03Å; F355-L433 HydrophobicContact CE2-CG 4.38Å; F355-L433 HydrophobicContact CG-CB 4.39Å; F355-L433 HydrophobicContact CG-CD2 4.49Å; F355-L433 HydrophobicContact CZ-CD1 3.95Å |
| 356 | G | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 49.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | D352 F361 | D352-G356 CarbonylContact O-C 3.55Å; D352-G356 WeakPolarHBondContact O-CA 3.38Å; D352-G356 PolarHBondContact O-N 2.61Å; G356-F361 WeakPolarHBondContact O-CB 3.31Å; G356-F361 WeakPolarHBondContact O-CD2 3.35Å |
| 357 | G | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -83.5 | -16.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | D352 E429 K450 | D352-G357 PolarHBondContact O-N 2.89Å; D352-G357 WeakPolarHBondContact OD1-CA 3.43Å; G357-E429 WeakPolarHBondContact O-CG 3.35Å; G357-K450 WeakPolarHBondContact O-CG 3.29Å | ||
| 358 | Y | 94.1 | Very high | 96.1 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -69.4 | 141.9 | 176.8 | -62.1 | -70 | 0 | 0 | 0 | 111.4 | D352 E353 Y360 F361 K377 C523 | D352-Y358 HydrophobicContact CB-CD1 4.45Å; D352-Y358 HydrophobicContact CB-CD2 3.99Å; D352-Y358 HydrophobicContact CB-CE1 4.1Å; D352-Y358 HydrophobicContact CB-CE2 3.58Å; D352-Y358 HydrophobicContact CB-CG 4.4Å; E353-Y358 WeakPolarHBondContact OE1-CE2 3.34Å; E353-Y358 VanDerWaalsContact OE1-CZ 3.28Å; E353-Y358 PolarHBondContact OE1-OH 3.02Å; Y358-Y360 AromaticContact CD2-CE1 3.94Å; Y358-Y360 HydrophobicContact CD2-CE1 3.94Å; Y358-Y360 HydrophobicContact CG-CD1 4.42Å; Y358-Y360 AromaticContact CG-CE1 3.73Å; Y358-Y360 HydrophobicContact CG-CE1 3.73Å; Y358-Y360 PolarHBondContact O-N 3.44Å; Y358-F361 HydrophobicContact CD2-CD2 4.42Å; Y358-F361 AromaticContact CD2-CE2 3.9Å; Y358-F361 HydrophobicContact CD2-CE2 3.9Å; Y358-F361 WeakPolarHBondContact O-CB 3.38Å; Y358-F361 WeakPolarHBondContact O-CD2 3.48Å; Y358-F361 PolarHBondContact O-N 2.94Å; Y358-K377 HydrophobicContact CD2-CD 4Å; Y358-K377 HydrophobicContact CE2-CD 3.86Å; Y358-C523 HydrophobicContact CD1-CB 3.93Å; Y358-C523 HydrophobicContact CE1-CB 3.77Å |
| 359 | L | 92.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -60.4 | -24.4 | -175.1 | -67.7 | -180 | 0 | 0 | 0 | 114.2 | F361 H362 Q449 K450 V546 V548 H549 | L359-F361 PolarHBondContact O-N 2.93Å; L359-H362 WeakPolarHBondContact O-CB 3.42Å; L359-H362 PolarHBondContact O-CD2 3.47Å; L359-H362 PolarHBondContact O-N 2.76Å; L359-Q449 HydrophobicContact CD2-CG 4.01Å; L359-K450 HydrophobicContact CD2-CB 3.99Å; L359-K450 HydrophobicContact CG-CB 4.34Å; L359-V546 HydrophobicContact CB-CB 4.14Å; L359-V546 HydrophobicContact CB-CG1 4.18Å; L359-V546 HydrophobicContact CB-CG2 4.21Å; L359-V548 HydrophobicContact CB-CG2 3.96Å; L359-V548 HydrophobicContact CD1-CG2 4.45Å; L359-V548 HydrophobicContact CD2-CG2 4.19Å; L359-V548 HydrophobicContact CG-CG2 4.43Å; L359-H549 HydrophobicContact CD1-CB 3.84Å; L359-H549 VanDerWaalsContact CD1-CD2 3.45Å; L359-H549 WeakPolarHBondContact CD1-CD2 3.46Å |
| 360 | Y | 92.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -69.1 | -17.6 | 175.6 | 76.2 | -98.7 | 0 | 0 | 0 | 112.7 | Y358 H362 K363 E373 K377 A522 A528 W531 | Y358-Y360 AromaticContact CD2-CE1 3.94Å; Y358-Y360 HydrophobicContact CD2-CE1 3.94Å; Y358-Y360 HydrophobicContact CG-CD1 4.42Å; Y358-Y360 AromaticContact CG-CE1 3.73Å; Y358-Y360 HydrophobicContact CG-CE1 3.73Å; Y358-Y360 PolarHBondContact O-N 3.44Å; Y360-H362 PolarHBondContact O-N 3.24Å; Y360-K363 VanDerWaalsContact O-CB 3.3Å; Y360-K363 WeakPolarHBondContact O-CB 3.06Å; Y360-K363 PolarHBondContact O-N 3.38Å; Y360-E373 HydrophobicContact CE2-CG 4.24Å; Y360-E373 PolarHBondContact OH-OE1 2.9Å; Y360-K377 VanDerWaalsContact OH-CD 3.23Å; Y360-K377 WeakPolarHBondContact OH-CD 3.23Å; Y360-K377 WeakPolarHBondContact OH-CE 3.36Å; Y360-A522 WeakPolarHBondContact CD1-O 3.19Å; Y360-A528 HydrophobicContact CD2-CB 3.81Å; Y360-A528 HydrophobicContact CE2-CB 3.55Å; Y360-W531 HydrophobicContact CD2-CE3 4.08Å; Y360-W531 AromaticContact CD2-CZ3 3.82Å; Y360-W531 HydrophobicContact CD2-CZ3 3.82Å; Y360-W531 HydrophobicContact CE2-CE3 4.33Å; Y360-W531 HydrophobicContact CE2-CH2 4.36Å; Y360-W531 AromaticContact CE2-CZ3 3.69Å; Y360-W531 HydrophobicContact CE2-CZ3 3.69Å |
| 361 | F | 94.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -64.3 | -16.6 | 173.4 | -80.7 | -75.4 | 0 | 0 | 0 | 113.2 | G356 Y358 L359 K363 A364 L370 E373 T374 K377 W531 | G356-F361 WeakPolarHBondContact O-CB 3.31Å; G356-F361 WeakPolarHBondContact O-CD2 3.35Å; Y358-F361 HydrophobicContact CD2-CD2 4.42Å; Y358-F361 AromaticContact CD2-CE2 3.9Å; Y358-F361 HydrophobicContact CD2-CE2 3.9Å; Y358-F361 WeakPolarHBondContact O-CB 3.38Å; Y358-F361 WeakPolarHBondContact O-CD2 3.48Å; Y358-F361 PolarHBondContact O-N 2.94Å; L359-F361 PolarHBondContact O-N 2.93Å; F361-K363 PolarHBondContact O-N 2.79Å; F361-K363 VanDerWaalsContact O-N 3.1Å; F361-A364 HydrophobicContact CD1-CB 4.48Å; F361-A364 WeakPolarHBondContact O-CB 3.35Å; F361-A364 PolarHBondContact O-N 3.43Å; F361-L370 HydrophobicContact CD1-CD1 4.2Å; F361-L370 HydrophobicContact CD1-CG 3.96Å; F361-L370 HydrophobicContact CE1-CG 4.11Å; F361-E373 HydrophobicContact CE1-CB 3.98Å; F361-E373 HydrophobicContact CE1-CG 3.68Å; F361-E373 HydrophobicContact CZ-CB 4.33Å; F361-E373 HydrophobicContact CZ-CG 3.65Å; F361-T374 HydrophobicContact CE1-CG2 4.1Å; F361-T374 HydrophobicContact CZ-CG2 3.95Å; F361-K377 HydrophobicContact CZ-CD 4.44Å; F361-W531 HydrophobicContact CD1-CH2 4.03Å; F361-W531 AromaticContact CD1-CZ3 3.93Å; F361-W531 HydrophobicContact CD1-CZ3 3.93Å; F361-W531 HydrophobicContact CE1-CH2 4Å; F361-W531 HydrophobicContact CE1-CZ3 4.29Å |
| 362 | H | 93.3 | Very high | 96.2 | Very high | 59 Ų | 59 | 25 Ų | 25 | 27% | 0.273 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -59.5 | -16.4 | 166.1 | -78.5 | -94.7 | 0 | 0 | 0 | 113.4 | L359 Y360 E429 V548 | L359-H362 WeakPolarHBondContact O-CB 3.42Å; L359-H362 PolarHBondContact O-CD2 3.47Å; L359-H362 PolarHBondContact O-N 2.76Å; Y360-H362 PolarHBondContact O-N 3.24Å; H362-E429 IonicContact NE2-OE2 3.37Å; H362-V548 HydrophobicContact CB-CG1 4.41Å |
| 363 | K | 93.4 | Very high | 96.2 | Very high | 83 Ų | 83 | 24.5 Ų | 24.5 | 36% | 0.361 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -101.1 | -2.4 | 177.9 | -55 | -61.8 | -176.3 | 140.3 | 0 | 113.4 | Y360 F361 W531 D532 F535 | Y360-K363 VanDerWaalsContact O-CB 3.3Å; Y360-K363 WeakPolarHBondContact O-CB 3.06Å; Y360-K363 PolarHBondContact O-N 3.38Å; F361-K363 PolarHBondContact O-N 2.79Å; F361-K363 VanDerWaalsContact O-N 3.1Å; K363-W531 HydrophobicContact CB-CB 4.31Å; K363-D532 HydrophobicContact CB-CB 4.49Å; K363-D532 WeakPolarHBondContact CD-OD2 3.47Å; K363-D532 WeakPolarHBondContact CE-OD2 3.27Å; K363-D532 HydrophobicContact CG-CB 4.29Å; K363-D532 IonicContact NZ-OD2 2.69Å; K363-D532 PolarHBondContact NZ-OD2 3.17Å; K363-F535 HydrophobicContact CB-CE2 4.37Å; K363-F535 HydrophobicContact CG-CE2 4.01Å; K363-F535 HydrophobicContact CG-CZ 4Å |
| 364 | A | 95 | Very high | 96.2 | Very high | 11 Ų | 11 | 24.4 Ų | 24.4 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | trans | -56.3 | 124 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F361 N366 L370 M422 W531 | F361-A364 HydrophobicContact CD1-CB 4.48Å; F361-A364 WeakPolarHBondContact O-CB 3.35Å; F361-A364 PolarHBondContact O-N 3.43Å; A364-N366 VanDerWaalsContact C-N 3.33Å; A364-N366 PolarHBondContact O-N 2.79Å; A364-L370 HydrophobicContact CB-CB 4.02Å; A364-L370 HydrophobicContact CB-CD1 4.4Å; A364-M422 HydrophobicContact CB-SD 4.48Å; A364-M422 WeakPolarHBondContact O-CE 3.47Å; A364-W531 HydrophobicContact CB-CE3 4.06Å; A364-W531 HydrophobicContact CB-CH2 3.92Å; A364-W531 HydrophobicContact CB-CZ3 3.67Å | ||
| 365 | P | 95.1 | Very high | 96.2 | Very high | 79 Ų | 79 | 25 Ų | 25 | 51% | 0.513 | 13% | 0.127 | S | C | . | . | trans | -73.9 | -25.4 | -170 | 28.3 | -37.1 | 0 | 0 | 0 | 113.1 | E369 | P365-E369 HydrophobicContact CG-CB 3.72Å; P365-E369 HydrophobicContact CG-CG 3.67Å | ||
| 366 | N | 96.8 | Very high | 96.1 | Very high | 73 Ų | 73 | 29.3 Ų | 29.3 | 39% | 0.39 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -164.4 | 172.1 | 179.2 | 56.8 | 64.3 | 0 | 0 | 0 | 110.7 | A364 K368 E369 L370 M422 | A364-N366 VanDerWaalsContact C-N 3.33Å; A364-N366 PolarHBondContact O-N 2.79Å; N366-K368 VanDerWaalsContact C-N 3.26Å; N366-K368 PolarHBondContact O-N 2.72Å; N366-K368 WeakPolarHBondContact OD1-CA 3.45Å; N366-K368 WeakPolarHBondContact OD1-CB 3.28Å; N366-K368 PolarHBondContact OD1-N 3.28Å; N366-K368 VanDerWaalsContact OD1-N 3.09Å; N366-E369 PolarHBondContact O-N 3Å; N366-E369 PolarHBondContact OD1-N 3.04Å; N366-L370 PolarHBondContact O-N 3.09Å; N366-L370 VanDerWaalsContact O-N 3.11Å; N366-M422 VanDerWaalsContact C-SD 3.52Å |
| 367 | A | 98 | Very high | 96.1 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -30.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y199 H371 P418 Q419 M422 | Y199-A367 HydrophobicContact CE2-CB 4.25Å; A367-H371 WeakPolarHBondContact O-CB 3.44Å; A367-H371 PolarHBondContact O-N 3.34Å; A367-P418 HydrophobicContact CB-CB 4.11Å; A367-Q419 HydrophobicContact CB-CB 4.39Å; A367-M422 HydrophobicContact CB-CG 4.22Å; A367-M422 HydrophobicContact CB-SD 4.47Å |
| 368 | K | 98.4 | Very high | 96.2 | Very high | 89 Ų | 89 | 30.7 Ų | 30.7 | 39% | 0.387 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.7 | -52.5 | 177.5 | 177.6 | 175.8 | 176.9 | 173.7 | 0 | 111.6 | Y199 N366 L370 H371 E372 | Y199-K368 HydrophobicContact CD1-CB 3.82Å; Y199-K368 HydrophobicContact CD1-CD 3.92Å; Y199-K368 HydrophobicContact CD1-CG 3.73Å; Y199-K368 HydrophobicContact CD2-CB 3.97Å; Y199-K368 HydrophobicContact CD2-CG 4.28Å; Y199-K368 HydrophobicContact CE1-CB 3.76Å; Y199-K368 HydrophobicContact CE1-CD 4.31Å; Y199-K368 HydrophobicContact CE1-CG 4.16Å; Y199-K368 HydrophobicContact CE2-CB 3.91Å; Y199-K368 HydrophobicContact CG-CB 3.9Å; Y199-K368 HydrophobicContact CG-CD 4.42Å; Y199-K368 HydrophobicContact CG-CG 3.77Å; N366-K368 VanDerWaalsContact C-N 3.26Å; N366-K368 PolarHBondContact O-N 2.72Å; N366-K368 WeakPolarHBondContact OD1-CA 3.45Å; N366-K368 WeakPolarHBondContact OD1-CB 3.28Å; N366-K368 PolarHBondContact OD1-N 3.28Å; N366-K368 VanDerWaalsContact OD1-N 3.09Å; K368-L370 VanDerWaalsContact C-N 3.3Å; K368-L370 PolarHBondContact O-N 3.05Å; K368-H371 PolarHBondContact O-N 3.47Å; K368-H371 VanDerWaalsContact O-N 3.15Å; K368-E372 WeakPolarHBondContact CE-OE1 3.45Å; K368-E372 HydrophobicContact CG-CG 4.43Å; K368-E372 IonicContact NZ-OE1 3.07Å; K368-E372 WeakPolarHBondContact O-CG 3.1Å; K368-E372 PolarHBondContact O-N 2.62Å |
| 369 | E | 97.9 | Very high | 96.3 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 179.3 | -73 | -81.2 | 160.6 | 0 | 0 | 111.4 | P365 N366 E373 W531 | P365-E369 HydrophobicContact CG-CB 3.72Å; P365-E369 HydrophobicContact CG-CG 3.67Å; N366-E369 PolarHBondContact O-N 3Å; N366-E369 PolarHBondContact OD1-N 3.04Å; E369-E373 WeakPolarHBondContact O-CB 3.39Å; E369-E373 PolarHBondContact O-N 3.03Å; E369-W531 HydrophobicContact CB-CZ2 3.98Å; E369-W531 WeakPolarHBondContact O-CZ2 3.3Å; E369-W531 PolarHBondContact OE2-NE1 3.38Å |
| 370 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.7 | -51.9 | 171 | -177.2 | 150.6 | 0 | 0 | 0 | 110.9 | F361 A364 N366 K368 E373 T374 K421 M422 | F361-L370 HydrophobicContact CD1-CD1 4.2Å; F361-L370 HydrophobicContact CD1-CG 3.96Å; F361-L370 HydrophobicContact CE1-CG 4.11Å; A364-L370 HydrophobicContact CB-CB 4.02Å; A364-L370 HydrophobicContact CB-CD1 4.4Å; N366-L370 PolarHBondContact O-N 3.09Å; N366-L370 VanDerWaalsContact O-N 3.11Å; K368-L370 VanDerWaalsContact C-N 3.3Å; K368-L370 PolarHBondContact O-N 3.05Å; L370-E373 PolarHBondContact O-N 3.33Å; L370-T374 HydrophobicContact CD2-CG2 4.02Å; L370-T374 WeakPolarHBondContact O-CG2 3.47Å; L370-T374 PolarHBondContact O-N 2.98Å; L370-T374 PolarHBondContact O-OG1 3.38Å; L370-K421 HydrophobicContact CD1-CB 4.37Å; L370-K421 HydrophobicContact CD2-CB 3.75Å; L370-K421 HydrophobicContact CD2-CD 4.23Å; L370-M422 HydrophobicContact CB-SD 3.81Å; L370-M422 HydrophobicContact CD1-CG 4.32Å; L370-M422 HydrophobicContact CD1-SD 3.55Å; L370-M422 VanDerWaalsContact CD1-SD 3.55Å; L370-M422 HydrophobicContact CG-SD 4.29Å |
| 371 | H | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -49.5 | -178.2 | -172.3 | 70.1 | 0 | 0 | 0 | 112.1 | W196 Y199 A367 K368 E373 T374 V375 P418 | W196-H371 PolarHBondContact O-CE1 3.47Å; W196-H371 VanDerWaalsContact O-CE1 3.28Å; W196-H371 PolarHBondContact O-NE2 2.63Å; Y199-H371 HydrophobicContact CD2-CB 3.94Å; A367-H371 WeakPolarHBondContact O-CB 3.44Å; A367-H371 PolarHBondContact O-N 3.34Å; K368-H371 PolarHBondContact O-N 3.47Å; K368-H371 VanDerWaalsContact O-N 3.15Å; H371-E373 VanDerWaalsContact C-N 3.28Å; H371-E373 PolarHBondContact O-N 3.3Å; H371-T374 WeakPolarHBondContact CA-OG1 3.48Å; H371-T374 PolarHBondContact O-N 3.41Å; H371-T374 VanDerWaalsContact O-N 3.08Å; H371-T374 PolarHBondContact O-OG1 3.29Å; H371-V375 WeakPolarHBondContact O-CG2 3.32Å; H371-V375 PolarHBondContact O-N 3.32Å; H371-P418 HydrophobicContact CB-CB 3.97Å; H371-P418 HydrophobicContact CB-CG 4Å |
| 372 | E | 98.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 28% | 0.276 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.2 | -35.3 | 179.4 | -70.4 | 178.1 | 174.9 | 0 | 0 | 112.2 | K368 R376 | K368-E372 WeakPolarHBondContact CE-OE1 3.45Å; K368-E372 HydrophobicContact CG-CG 4.43Å; K368-E372 IonicContact NZ-OE1 3.07Å; K368-E372 WeakPolarHBondContact O-CG 3.1Å; K368-E372 PolarHBondContact O-N 2.62Å; E372-R376 VanDerWaalsContact O-CB 3.31Å; E372-R376 WeakPolarHBondContact O-CB 3.3Å; E372-R376 PolarHBondContact O-N 2.94Å |
| 373 | E | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.9 | -40.9 | 171.7 | 177.4 | 65.2 | 179.4 | 0 | 0 | 112.1 | Y360 F361 E369 L370 H371 V375 R376 K377 S525 W531 | Y360-E373 HydrophobicContact CE2-CG 4.24Å; Y360-E373 PolarHBondContact OH-OE1 2.9Å; F361-E373 HydrophobicContact CE1-CB 3.98Å; F361-E373 HydrophobicContact CE1-CG 3.68Å; F361-E373 HydrophobicContact CZ-CB 4.33Å; F361-E373 HydrophobicContact CZ-CG 3.65Å; E369-E373 WeakPolarHBondContact O-CB 3.39Å; E369-E373 PolarHBondContact O-N 3.03Å; L370-E373 PolarHBondContact O-N 3.33Å; H371-E373 VanDerWaalsContact C-N 3.28Å; H371-E373 PolarHBondContact O-N 3.3Å; E373-V375 VanDerWaalsContact C-N 3.34Å; E373-V375 PolarHBondContact O-N 3.06Å; E373-R376 PolarHBondContact O-N 3.35Å; E373-R376 IonicContact OE2-CZ 3.84Å; E373-R376 IonicContact OE2-NH1 3.83Å; E373-R376 PolarHBondContact OE2-NH1 3.19Å; E373-K377 HydrophobicContact CG-CD 4.44Å; E373-K377 HydrophobicContact CG-CG 4.4Å; E373-K377 WeakPolarHBondContact O-CB 3.35Å; E373-K377 WeakPolarHBondContact O-CG 3.48Å; E373-K377 PolarHBondContact O-N 3.45Å; E373-K377 WeakPolarHBondContact OE1-CE 3.31Å; E373-S525 VanDerWaalsContact OE1-CB 3.23Å; E373-S525 WeakPolarHBondContact OE1-CB 3.22Å; E373-S525 PolarHBondContact OE1-N 2.96Å; E373-S525 PolarHBondContact OE1-OG 3.15Å; E373-S525 WeakPolarHBondContact OE2-CB 3.29Å; E373-S525 PolarHBondContact OE2-OG 2.97Å; E373-W531 HydrophobicContact CB-CH2 3.57Å; E373-W531 HydrophobicContact CB-CZ2 3.8Å; E373-W531 HydrophobicContact CG-CH2 3.76Å; E373-W531 HydrophobicContact CG-CZ2 4.31Å |
| 374 | T | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 175 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | E353 F361 L370 H371 K377 L378 | E353-T374 WeakPolarHBondContact O-CA 3.37Å; E353-T374 WeakPolarHBondContact O-CB 3.2Å; E353-T374 WeakPolarHBondContact O-CG2 3.28Å; F361-T374 HydrophobicContact CE1-CG2 4.1Å; F361-T374 HydrophobicContact CZ-CG2 3.95Å; L370-T374 HydrophobicContact CD2-CG2 4.02Å; L370-T374 WeakPolarHBondContact O-CG2 3.47Å; L370-T374 PolarHBondContact O-N 2.98Å; L370-T374 PolarHBondContact O-OG1 3.38Å; H371-T374 WeakPolarHBondContact CA-OG1 3.48Å; H371-T374 PolarHBondContact O-N 3.41Å; H371-T374 VanDerWaalsContact O-N 3.08Å; H371-T374 PolarHBondContact O-OG1 3.29Å; T374-K377 PolarHBondContact O-N 3.49Å; T374-L378 WeakPolarHBondContact O-CB 3.39Å; T374-L378 WeakPolarHBondContact O-CG 3.26Å; T374-L378 PolarHBondContact O-N 3.11Å |
| 375 | V | 98.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 175 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | W196 F197 H371 E373 K377 L378 L379 M414 | W196-V375 HydrophobicContact CE3-CG2 4.33Å; W196-V375 HydrophobicContact CZ3-CG2 4.4Å; F197-V375 HydrophobicContact CB-CG1 4.42Å; F197-V375 HydrophobicContact CD1-CG1 4.22Å; F197-V375 HydrophobicContact CG-CG1 4.4Å; H371-V375 WeakPolarHBondContact O-CG2 3.32Å; H371-V375 PolarHBondContact O-N 3.32Å; E373-V375 VanDerWaalsContact C-N 3.34Å; E373-V375 PolarHBondContact O-N 3.06Å; V375-K377 VanDerWaalsContact C-N 3.3Å; V375-K377 PolarHBondContact O-N 3.37Å; V375-L378 PolarHBondContact O-N 3.26Å; V375-L379 HydrophobicContact CG1-CD1 3.99Å; V375-L379 HydrophobicContact CG1-CG 4.46Å; V375-L379 WeakPolarHBondContact O-CG 3.32Å; V375-L379 PolarHBondContact O-N 3.22Å; V375-M414 HydrophobicContact CG2-CE 3.97Å |
| 376 | R | 96.5 | Very high | 96.8 | Very high | 90 Ų | 90 | 31.7 Ų | 31.7 | 34% | 0.34 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -56.7 | -44.4 | 177.8 | -175.4 | -177 | -59.3 | 111.3 | 9 | 111.8 | E372 E373 A380 | E372-R376 VanDerWaalsContact O-CB 3.31Å; E372-R376 WeakPolarHBondContact O-CB 3.3Å; E372-R376 PolarHBondContact O-N 2.94Å; E373-R376 PolarHBondContact O-N 3.35Å; E373-R376 IonicContact OE2-CZ 3.84Å; E373-R376 IonicContact OE2-NH1 3.83Å; E373-R376 PolarHBondContact OE2-NH1 3.19Å; R376-A380 WeakPolarHBondContact O-CB 3.46Å; R376-A380 PolarHBondContact O-N 3.45Å; R376-A380 VanDerWaalsContact O-N 3.16Å |
| 377 | K | 96 | Very high | 96.7 | Very high | 29 Ų | 29 | 28.8 Ų | 28.8 | 13% | 0.126 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69 | -42.7 | 179.7 | -73.5 | -164.6 | 148 | -65.7 | 0 | 113 | E353 Y358 Y360 F361 E373 T374 V375 L379 A380 L381 C523 | E353-K377 HydrophobicContact CB-CB 4.26Å; E353-K377 HydrophobicContact CG-CB 3.8Å; Y358-K377 HydrophobicContact CD2-CD 4Å; Y358-K377 HydrophobicContact CE2-CD 3.86Å; Y360-K377 VanDerWaalsContact OH-CD 3.23Å; Y360-K377 WeakPolarHBondContact OH-CD 3.23Å; Y360-K377 WeakPolarHBondContact OH-CE 3.36Å; F361-K377 HydrophobicContact CZ-CD 4.44Å; E373-K377 HydrophobicContact CG-CD 4.44Å; E373-K377 HydrophobicContact CG-CG 4.4Å; E373-K377 WeakPolarHBondContact O-CB 3.35Å; E373-K377 WeakPolarHBondContact O-CG 3.48Å; E373-K377 PolarHBondContact O-N 3.45Å; E373-K377 WeakPolarHBondContact OE1-CE 3.31Å; T374-K377 PolarHBondContact O-N 3.49Å; V375-K377 VanDerWaalsContact C-N 3.3Å; V375-K377 PolarHBondContact O-N 3.37Å; K377-L379 VanDerWaalsContact C-N 3.34Å; K377-L379 PolarHBondContact O-N 3.25Å; K377-A380 CarbonylContact O-C 3.54Å; K377-A380 PolarHBondContact O-N 3.35Å; K377-L381 PolarHBondContact O-N 2.88Å; K377-C523 WeakPolarHBondContact CE-O 3.41Å; K377-C523 PolarHBondContact NZ-O 2.82Å |
| 378 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 175.1 | -78.1 | 170.6 | 0 | 0 | 0 | 111.1 | L141 W196 E353 V354 T374 V375 A380 L381 L405 L410 M414 | L141-L378 HydrophobicContact CD1-CD2 4.26Å; L141-L378 HydrophobicContact CD2-CB 4.43Å; W196-L378 HydrophobicContact CH2-CD1 4.37Å; W196-L378 HydrophobicContact CZ3-CD1 4.19Å; E353-L378 HydrophobicContact CB-CD2 3.63Å; E353-L378 HydrophobicContact CB-CG 3.87Å; V354-L378 HydrophobicContact CG2-CD1 4.41Å; V354-L378 HydrophobicContact CG2-CD2 3.87Å; T374-L378 WeakPolarHBondContact O-CB 3.39Å; T374-L378 WeakPolarHBondContact O-CG 3.26Å; T374-L378 PolarHBondContact O-N 3.11Å; V375-L378 PolarHBondContact O-N 3.26Å; L378-A380 PolarHBondContact O-N 3.4Å; L378-L381 VanDerWaalsContact O-CB 3.22Å; L378-L381 WeakPolarHBondContact O-CB 3.29Å; L378-L381 PolarHBondContact O-N 3.16Å; L378-L381 VanDerWaalsContact O-N 3.14Å; L378-L405 HydrophobicContact CD2-CD2 3.89Å; L378-L410 HydrophobicContact CD1-CD2 4.34Å; L378-L410 HydrophobicContact CD2-CD2 4.17Å; L378-M414 HydrophobicContact CD1-CE 3.69Å; L378-M414 HydrophobicContact CD1-CG 4.07Å; L378-M414 HydrophobicContact CD1-SD 3.62Å |
| 379 | L | 96.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 25.6 Ų | 25.6 | 36% | 0.361 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.9 | -25.1 | -178.7 | -64.9 | 177.8 | 0 | 0 | 0 | 113.2 | L141 F197 V375 K377 H382 | L141-L379 HydrophobicContact CD2-CD2 4.2Å; F197-L379 HydrophobicContact CE1-CD2 4.35Å; F197-L379 HydrophobicContact CZ-CD2 3.93Å; V375-L379 HydrophobicContact CG1-CD1 3.99Å; V375-L379 HydrophobicContact CG1-CG 4.46Å; V375-L379 WeakPolarHBondContact O-CG 3.32Å; V375-L379 PolarHBondContact O-N 3.22Å; K377-L379 VanDerWaalsContact C-N 3.34Å; K377-L379 PolarHBondContact O-N 3.25Å; L379-H382 PolarHBondContact O-CE1 2.63Å; L379-H382 PolarHBondContact O-ND1 2.92Å; L379-H382 VanDerWaalsContact O-ND1 3.08Å |
| 380 | A | 95.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 23.9 Ų | 23.9 | 18% | 0.182 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -90.9 | -4.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R376 K377 L378 H382 M383 Y384 | R376-A380 WeakPolarHBondContact O-CB 3.46Å; R376-A380 PolarHBondContact O-N 3.45Å; R376-A380 VanDerWaalsContact O-N 3.16Å; K377-A380 CarbonylContact O-C 3.54Å; K377-A380 PolarHBondContact O-N 3.35Å; L378-A380 PolarHBondContact O-N 3.4Å; A380-H382 PolarHBondContact O-N 3.04Å; A380-H382 VanDerWaalsContact O-N 3.16Å; A380-M383 HydrophobicContact CB-CE 3.67Å; A380-M383 PolarHBondContact O-N 3.42Å; A380-Y384 HydrophobicContact CB-CE2 4.28Å; A380-Y384 WeakPolarHBondContact O-CD2 3.22Å |
| 381 | L | 95.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -64 | -27.6 | -165.9 | -163 | 56.9 | 0 | 0 | 0 | 113.8 | E353 K377 L378 M383 Y384 D385 C386 L405 | E353-L381 VanDerWaalsContact CD-CD1 3.45Å; E353-L381 HydrophobicContact CG-CD1 3.69Å; E353-L381 HydrophobicContact CG-CD2 4.1Å; E353-L381 HydrophobicContact CG-CG 4.44Å; E353-L381 WeakPolarHBondContact OE1-CD1 3.32Å; K377-L381 PolarHBondContact O-N 2.88Å; L378-L381 VanDerWaalsContact O-CB 3.22Å; L378-L381 WeakPolarHBondContact O-CB 3.29Å; L378-L381 PolarHBondContact O-N 3.16Å; L378-L381 VanDerWaalsContact O-N 3.14Å; L381-M383 PolarHBondContact O-N 3.29Å; L381-Y384 PolarHBondContact O-N 2.96Å; L381-Y384 VanDerWaalsContact O-N 3.08Å; L381-D385 HydrophobicContact CD1-CB 3.76Å; L381-D385 PolarHBondContact O-N 2.9Å; L381-C386 WeakPolarHBondContact O-CB 3.49Å; L381-C386 PolarHBondContact O-N 2.96Å; L381-L405 HydrophobicContact CD2-CD1 3.57Å; L381-L405 HydrophobicContact CD2-CD2 3.68Å; L381-L405 HydrophobicContact CD2-CG 4.25Å |
| 382 | H | 96.2 | Very high | 96.5 | Very high | 27 Ų | 27 | 24 Ų | 24 | 13% | 0.125 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -54.8 | -29.9 | 173.5 | 59.8 | -85.5 | 0 | 0 | 0 | 114 | L141 G142 E174 L379 A380 A387 | L141-H382 WeakPolarHBondContact O-CB 3.38Å; G142-H382 VanDerWaalsContact O-CB 3.3Å; G142-H382 WeakPolarHBondContact O-CB 3.36Å; E174-H382 IonicContact OE1-CD2 3.36Å; E174-H382 PolarHBondContact OE1-CD2 3.32Å; E174-H382 VanDerWaalsContact OE1-CD2 3.26Å; E174-H382 IonicContact OE2-CD2 3.76Å; E174-H382 PolarHBondContact OE2-CD2 3.45Å; E174-H382 IonicContact OE2-NE2 2.73Å; L379-H382 PolarHBondContact O-CE1 2.63Å; L379-H382 PolarHBondContact O-ND1 2.92Å; L379-H382 VanDerWaalsContact O-ND1 3.08Å; A380-H382 PolarHBondContact O-N 3.04Å; A380-H382 VanDerWaalsContact O-N 3.16Å; H382-A387 VanDerWaalsContact O-CB 3.31Å; H382-A387 WeakPolarHBondContact O-CB 3.38Å |
| 383 | M | 94.7 | Very high | 96.5 | Very high | 54 Ų | 54 | 21.1 Ų | 21.1 | 27% | 0.266 | 10% | 0.101 | S | C | . | . | G | 310 helix | trans | -84.5 | -11.3 | -179 | -60.9 | 178.9 | -79.4 | 0 | 0 | 113.6 | A380 L381 P516 | A380-M383 HydrophobicContact CB-CE 3.67Å; A380-M383 PolarHBondContact O-N 3.42Å; L381-M383 PolarHBondContact O-N 3.29Å; M383-P516 HydrophobicContact CB-CB 4.27Å; M383-P516 HydrophobicContact CB-CG 3.92Å; M383-P516 HydrophobicContact SD-CB 4.1Å |
| 384 | Y | 94 | Very high | 96.6 | Very high | 74 Ų | 74 | 21.1 Ų | 21.1 | 29% | 0.29 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -104.1 | -171.9 | -55.8 | -77 | 0 | 0 | 0 | 111.1 | A380 L381 C386 A387 R388 P516 | A380-Y384 HydrophobicContact CB-CE2 4.28Å; A380-Y384 WeakPolarHBondContact O-CD2 3.22Å; L381-Y384 PolarHBondContact O-N 2.96Å; L381-Y384 VanDerWaalsContact O-N 3.08Å; Y384-C386 VanDerWaalsContact C-N 3.34Å; Y384-C386 PolarHBondContact O-N 3.08Å; Y384-A387 WeakPolarHBondContact O-CB 3.43Å; Y384-A387 PolarHBondContact O-N 2.91Å; Y384-R388 PolarHBondContact O-N 3.07Å; Y384-P516 HydrophobicContact CD1-CG 4.18Å; Y384-P516 HydrophobicContact CE1-CB 3.92Å; Y384-P516 HydrophobicContact CE1-CG 3.53Å; Y384-P516 HydrophobicContact CE2-CB 4.45Å; Y384-P516 WeakPolarHBondContact OH-CB 3.41Å |
| 385 | D | 94.1 | Very high | 96.5 | Very high | 20 Ų | 20 | 21.4 Ų | 21.4 | 11% | 0.107 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65 | -34.6 | -170 | -72.6 | 36.3 | 0 | 0 | 0 | 112.9 | L381 R388 A389 | L381-D385 HydrophobicContact CD1-CB 3.76Å; L381-D385 PolarHBondContact O-N 2.9Å; D385-R388 VanDerWaalsContact CG-NH1 3.25Å; D385-R388 IonicContact OD1-NH1 3.31Å; D385-R388 PolarHBondContact OD1-NH1 3.16Å; D385-R388 IonicContact OD2-CZ 3.58Å; D385-R388 VanDerWaalsContact OD2-CZ 3.3Å; D385-R388 IonicContact OD2-NH1 2.73Å; D385-R388 PolarHBondContact OD2-NH1 3.14Å; D385-R388 IonicContact OD2-NH2 2.86Å; D385-R388 PolarHBondContact OD2-NH2 2.95Å; D385-A389 VanDerWaalsContact O-CB 3.23Å; D385-A389 WeakPolarHBondContact O-CB 3.43Å; D385-A389 PolarHBondContact O-N 3.21Å |
| 386 | C | 96.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.1 | -46 | 171.6 | -74.9 | 0 | 0 | 0 | 0 | 111.2 | L381 Y384 R388 A389 N390 L405 | L381-C386 WeakPolarHBondContact O-CB 3.49Å; L381-C386 PolarHBondContact O-N 2.96Å; Y384-C386 VanDerWaalsContact C-N 3.34Å; Y384-C386 PolarHBondContact O-N 3.08Å; C386-R388 PolarHBondContact O-N 3.06Å; C386-A389 PolarHBondContact O-N 3.46Å; C386-N390 WeakPolarHBondContact O-CB 3.1Å; C386-N390 PolarHBondContact O-N 2.92Å; C386-L405 VanDerWaalsContact SG-CD1 3.54Å |
| 387 | A | 95.7 | Very high | 96.5 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 10% | 0.099 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H382 Y384 K391 | H382-A387 VanDerWaalsContact O-CB 3.31Å; H382-A387 WeakPolarHBondContact O-CB 3.38Å; Y384-A387 WeakPolarHBondContact O-CB 3.43Å; Y384-A387 PolarHBondContact O-N 2.91Å; A387-K391 VanDerWaalsContact O-CB 3.28Å; A387-K391 WeakPolarHBondContact O-CB 3.37Å; A387-K391 WeakPolarHBondContact O-CG 3.35Å; A387-K391 PolarHBondContact O-N 2.81Å |
| 388 | R | 96.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 18.4 Ų | 18.4 | 9% | 0.087 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -53.9 | -62.6 | 174 | 174.2 | -174.6 | 78.5 | -142 | 2.9 | 110.6 | T323 A326 S327 M330 E349 Y384 D385 C386 N390 K391 A392 | T323-R388 HydrophobicContact CG2-CB 3.98Å; A326-R388 VanDerWaalsContact CB-CD 3.47Å; S327-R388 WeakPolarHBondContact OG-CG 3.5Å; M330-R388 HydrophobicContact SD-CG 4.08Å; E349-R388 IonicContact OE1-CZ 2.9Å; E349-R388 IonicContact OE1-NE 3.52Å; E349-R388 IonicContact OE1-NH2 3.78Å; E349-R388 PolarHBondContact OE1-NH2 3.03Å; E349-R388 IonicContact OE2-CZ 3.87Å; E349-R388 IonicContact OE2-NH2 3.58Å; E349-R388 PolarHBondContact OE2-NH2 3.28Å; Y384-R388 PolarHBondContact O-N 3.07Å; D385-R388 VanDerWaalsContact CG-NH1 3.25Å; D385-R388 IonicContact OD1-NH1 3.31Å; D385-R388 PolarHBondContact OD1-NH1 3.16Å; D385-R388 IonicContact OD2-CZ 3.58Å; D385-R388 VanDerWaalsContact OD2-CZ 3.3Å; D385-R388 IonicContact OD2-NH1 2.73Å; D385-R388 PolarHBondContact OD2-NH1 3.14Å; D385-R388 IonicContact OD2-NH2 2.86Å; D385-R388 PolarHBondContact OD2-NH2 2.95Å; C386-R388 PolarHBondContact O-N 3.06Å; R388-N390 VanDerWaalsContact C-N 3.3Å; R388-N390 PolarHBondContact O-N 3.35Å; R388-K391 PolarHBondContact O-N 3.26Å; R388-A392 WeakPolarHBondContact O-CB 3.35Å; R388-A392 PolarHBondContact O-N 3.08Å |
| 389 | A | 96.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M330 E349 D385 C386 M393 | M330-A389 VanDerWaalsContact CE-CA 3.48Å; M330-A389 HydrophobicContact CE-CB 3.71Å; M330-A389 HydrophobicContact SD-CB 4.41Å; E349-A389 HydrophobicContact CG-CB 3.74Å; D385-A389 VanDerWaalsContact O-CB 3.23Å; D385-A389 WeakPolarHBondContact O-CB 3.43Å; D385-A389 PolarHBondContact O-N 3.21Å; C386-A389 PolarHBondContact O-N 3.46Å; A389-M393 VanDerWaalsContact O-CB 3.29Å; A389-M393 WeakPolarHBondContact O-CB 3.48Å; A389-M393 WeakPolarHBondContact O-CG 3.32Å |
| 390 | N | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.3 | -57.6 | 177.9 | -171.3 | -66.2 | 0 | 0 | 0 | 111.7 | M1 R31 I143 P145 C386 R388 S394 | M1-N390 VanDerWaalsContact CE-ND2 3.31Å; M1-N390 WeakPolarHBondContact CE-ND2 3.42Å; M1-N390 PolarHBondContact SD-ND2 2.88Å; R31-N390 PolarHBondContact NH1-OD1 3.26Å; R31-N390 PolarHBondContact NH2-OD1 3.38Å; I143-N390 PolarHBondContact O-ND2 3.03Å; P145-N390 VanDerWaalsContact CD-CG 3.46Å; P145-N390 VanDerWaalsContact CD-ND2 3.33Å; P145-N390 WeakPolarHBondContact CD-ND2 3.46Å; P145-N390 WeakPolarHBondContact CD-OD1 3.36Å; C386-N390 WeakPolarHBondContact O-CB 3.1Å; C386-N390 PolarHBondContact O-N 2.92Å; R388-N390 VanDerWaalsContact C-N 3.3Å; R388-N390 PolarHBondContact O-N 3.35Å; N390-S394 WeakPolarHBondContact O-CB 3.21Å; N390-S394 PolarHBondContact O-N 3.25Å; N390-S394 PolarHBondContact O-OG 3.49Å |
| 391 | K | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 0% | 0.004 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -80.2 | -35.9 | -168.1 | -64.5 | -177 | -178 | -177.2 | 0 | 112.9 | P145 Y147 H315 I316 E317 A387 R388 M393 S394 A395 | P145-K391 HydrophobicContact CG-CG 4.49Å; Y147-K391 PolarHBondContact OH-NZ 3.04Å; H315-K391 WeakPolarHBondContact O-CD 3.01Å; I316-K391 HydrophobicContact CB-CB 4.35Å; I316-K391 HydrophobicContact CG2-CB 4.08Å; I316-K391 VanDerWaalsContact O-CD 3.26Å; I316-K391 WeakPolarHBondContact O-CD 3.08Å; I316-K391 PolarHBondContact O-NZ 2.87Å; E317-K391 IonicContact OE2-NZ 2.79Å; E317-K391 PolarHBondContact OE2-NZ 3.24Å; A387-K391 VanDerWaalsContact O-CB 3.28Å; A387-K391 WeakPolarHBondContact O-CB 3.37Å; A387-K391 WeakPolarHBondContact O-CG 3.35Å; A387-K391 PolarHBondContact O-N 2.81Å; R388-K391 PolarHBondContact O-N 3.26Å; K391-M393 VanDerWaalsContact C-N 3.33Å; K391-M393 PolarHBondContact O-N 3.34Å; K391-S394 PolarHBondContact O-N 3.23Å; K391-A395 WeakPolarHBondContact O-CB 3.41Å; K391-A395 PolarHBondContact O-N 2.71Å |
| 392 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I316 M330 R388 A395 | I316-A392 HydrophobicContact CG2-CB 4.36Å; M330-A392 HydrophobicContact CB-CB 4.08Å; M330-A392 HydrophobicContact CG-CB 4.11Å; M330-A392 HydrophobicContact SD-CB 4.4Å; R388-A392 WeakPolarHBondContact O-CB 3.35Å; R388-A392 PolarHBondContact O-N 3.08Å; A392-A395 WeakPolarHBondContact O-CB 3.48Å |
| 393 | M | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -74.6 | -45.7 | 176.4 | -61.4 | -65.7 | -58 | 0 | 0 | 111.6 | L233 M330 M333 S334 I337 V345 A389 K391 A395 W396 V398 A400 | L233-M393 HydrophobicContact CD1-SD 4.44Å; L233-M393 HydrophobicContact CD2-CE 4.32Å; M330-M393 HydrophobicContact CE-CG 3.39Å; M330-M393 HydrophobicContact CE-SD 3.75Å; M330-M393 HydrophobicContact CG-CG 4.07Å; M330-M393 HydrophobicContact CG-SD 3.57Å; M330-M393 VanDerWaalsContact CG-SD 3.57Å; M330-M393 HydrophobicContact SD-CG 4.34Å; M330-M393 HydrophobicContact SD-SD 4.48Å; M333-M393 HydrophobicContact CE-SD 4.47Å; S334-M393 WeakPolarHBondContact OG-CA 3.35Å; S334-M393 PolarHBondContact OG-O 3.15Å; I337-M393 HydrophobicContact CD1-CE 3.82Å; V345-M393 HydrophobicContact CG2-CE 3.65Å; A389-M393 VanDerWaalsContact O-CB 3.29Å; A389-M393 WeakPolarHBondContact O-CB 3.48Å; A389-M393 WeakPolarHBondContact O-CG 3.32Å; K391-M393 VanDerWaalsContact C-N 3.33Å; K391-M393 PolarHBondContact O-N 3.34Å; M393-A395 PolarHBondContact O-N 3.3Å; M393-W396 PolarHBondContact O-N 2.95Å; M393-W396 VanDerWaalsContact O-N 3.13Å; M393-V398 CarbonylContact C-O 3.52Å; M393-V398 VanDerWaalsContact C-O 3.23Å; M393-V398 HydrophobicContact CB-CB 4.38Å; M393-V398 WeakPolarHBondContact CB-O 3.22Å; M393-V398 HydrophobicContact CE-CB 3.94Å; M393-V398 HydrophobicContact CE-CG1 3.48Å; M393-V398 VanDerWaalsContact CE-CG1 3.48Å; M393-V398 PolarHBondContact O-N 3.12Å; M393-A400 HydrophobicContact CB-CB 4.34Å; M393-A400 HydrophobicContact CG-CB 4.12Å |
| 394 | S | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.8 | -18.9 | -178.5 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | M1 H30 R31 N390 K391 W396 G397 V398 | M1-S394 WeakPolarHBondContact CB-OG 3.49Å; H30-S394 CarbonylContact C-O 3.58Å; H30-S394 PolarHBondContact CD2-O 2.88Å; R31-S394 WeakPolarHBondContact CA-O 3.12Å; N390-S394 WeakPolarHBondContact O-CB 3.21Å; N390-S394 PolarHBondContact O-N 3.25Å; N390-S394 PolarHBondContact O-OG 3.49Å; K391-S394 PolarHBondContact O-N 3.23Å; S394-W396 PolarHBondContact O-N 2.83Å; S394-G397 PolarHBondContact O-N 2.81Å; S394-V398 PolarHBondContact N-O 2.8Å |
| 395 | A | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 7.2 Ų | 7.2 | 5% | 0.05 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -25.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H315 Y331 K391 A392 M393 | H315-A395 HydrophobicContact CB-CB 4.01Å; Y331-A395 HydrophobicContact CD2-CB 3.59Å; Y331-A395 HydrophobicContact CE2-CB 3.62Å; K391-A395 WeakPolarHBondContact O-CB 3.41Å; K391-A395 PolarHBondContact O-N 2.71Å; A392-A395 WeakPolarHBondContact O-CB 3.48Å; M393-A395 PolarHBondContact O-N 3.3Å |
| 396 | W | 97.4 | Very high | 97.7 | Very high | 69 Ų | 69 | 6.7 Ų | 6.7 | 26% | 0.261 | 3% | 0.032 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 17 | 176.4 | -60.9 | 99.6 | 0 | 0 | 0 | 113.3 | Y331 R335 K338 M393 S394 | Y331-W396 AromaticContact CD2-NE1 3.55Å; Y331-W396 HydrophobicContact CE1-CZ2 4.1Å; Y331-W396 AromaticContact CE1-NE1 3.8Å; Y331-W396 AromaticContact CE2-CE2 3.94Å; Y331-W396 HydrophobicContact CE2-CZ2 4.22Å; Y331-W396 AromaticContact CE2-NE1 3.3Å; Y331-W396 VanDerWaalsContact CE2-NE1 3.3Å; Y331-W396 AromaticContact CG-NE1 3.92Å; Y331-W396 AromaticContact CZ-CE2 3.78Å; Y331-W396 AromaticContact CZ-CZ2 3.62Å; Y331-W396 AromaticContact CZ-NE1 3.44Å; Y331-W396 VanDerWaalsContact O-CD1 3.26Å; Y331-W396 PolarHBondContact O-NE1 3.22Å; Y331-W396 VanDerWaalsContact OH-CZ2 3.25Å; Y331-W396 WeakPolarHBondContact OH-CZ2 3.32Å; R335-W396 HydrophobicContact CB-CD2 3.76Å; R335-W396 HydrophobicContact CB-CE3 4.41Å; R335-W396 HydrophobicContact CB-CG 3.92Å; R335-W396 HydrophobicContact CB-CZ2 4.13Å; R335-W396 VanDerWaalsContact CD-CZ2 3.5Å; R335-W396 HydrophobicContact CG-CD2 3.75Å; R335-W396 HydrophobicContact CG-CE3 3.91Å; R335-W396 HydrophobicContact CG-CG 4.39Å; R335-W396 HydrophobicContact CG-CH2 3.98Å; R335-W396 HydrophobicContact CG-CZ2 3.81Å; R335-W396 HydrophobicContact CG-CZ3 4.03Å; K338-W396 HydrophobicContact CB-CB 4.15Å; K338-W396 WeakPolarHBondContact CD-O 2.8Å; K338-W396 WeakPolarHBondContact CG-O 3.21Å; M393-W396 PolarHBondContact O-N 2.95Å; M393-W396 VanDerWaalsContact O-N 3.13Å; S394-W396 PolarHBondContact O-N 2.83Å |
| 397 | G | 96.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 39.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H30 R31 L51 S394 | H30-G397 VanDerWaalsContact O-CA 3.25Å; H30-G397 WeakPolarHBondContact O-CA 3.49Å; H30-G397 PolarHBondContact O-N 3.3Å; H30-G397 VanDerWaalsContact O-N 3.09Å; R31-G397 VanDerWaalsContact O-CA 3.32Å; R31-G397 WeakPolarHBondContact O-CA 3.41Å; L51-G397 WeakPolarHBondContact CD1-O 3.33Å; L51-G397 WeakPolarHBondContact CD2-O 3.41Å; S394-G397 PolarHBondContact O-N 2.81Å |
| 398 | V | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -110.9 | 126.1 | 169.3 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | S334 I337 K338 K343 V345 M393 S394 | S334-V398 WeakPolarHBondContact OG-CG2 3.49Å; I337-V398 HydrophobicContact CB-CG2 4.46Å; I337-V398 HydrophobicContact CG2-CG1 4.01Å; I337-V398 HydrophobicContact CG2-CG2 4.05Å; K338-V398 HydrophobicContact CB-CG2 3.97Å; K343-V398 CarbonylContact O-C 3.56Å; K343-V398 WeakPolarHBondContact O-CA 3.36Å; V345-V398 HydrophobicContact CG1-CG1 4.22Å; V345-V398 HydrophobicContact CG2-CG1 4.15Å; M393-V398 CarbonylContact C-O 3.52Å; M393-V398 VanDerWaalsContact C-O 3.23Å; M393-V398 HydrophobicContact CB-CB 4.38Å; M393-V398 WeakPolarHBondContact CB-O 3.22Å; M393-V398 HydrophobicContact CE-CB 3.94Å; M393-V398 HydrophobicContact CE-CG1 3.48Å; M393-V398 VanDerWaalsContact CE-CG1 3.48Å; M393-V398 PolarHBondContact O-N 3.12Å; S394-V398 PolarHBondContact N-O 2.8Å | ||
| 399 | E | 97.8 | Very high | 98 | Very high | 3 Ų | 3 | 11.2 Ų | 11.2 | 1% | 0.014 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 132 | 173.9 | -178.2 | 169.1 | 113.9 | 0 | 0 | 111.4 | M1 L51 I53 E77 M121 K343 M344 V345 R401 | M1-E399 HydrophobicContact CB-CB 4.15Å; M1-E399 HydrophobicContact CB-CG 4.15Å; M1-E399 HydrophobicContact CE-CG 3.66Å; M1-E399 HydrophobicContact CG-CG 4.08Å; M1-E399 WeakPolarHBondContact CG-OE2 3.44Å; L51-E399 HydrophobicContact CD2-CB 4.24Å; I53-E399 HydrophobicContact CD1-CB 3.71Å; I53-E399 VanDerWaalsContact CD1-CD 3.44Å; I53-E399 HydrophobicContact CD1-CG 4.21Å; I53-E399 VanDerWaalsContact CD1-OE2 3.24Å; I53-E399 WeakPolarHBondContact CD1-OE2 3.29Å; E77-E399 WeakPolarHBondContact CG-OE1 3.46Å; M121-E399 HydrophobicContact CE-CG 4.01Å; M121-E399 WeakPolarHBondContact CE-OE1 3.33Å; K343-E399 PolarHBondContact O-N 3.31Å; M344-E399 CarbonylContact C-O 3.58Å; M344-E399 VanDerWaalsContact CA-O 3.31Å; M344-E399 WeakPolarHBondContact CA-O 3.25Å; M344-E399 HydrophobicContact CB-CB 4.34Å; M344-E399 HydrophobicContact CG-CB 4.25Å; M344-E399 HydrophobicContact CG-CG 4.4Å; V345-E399 PolarHBondContact N-O 3.31Å; E399-R401 HydrophobicContact CG-CG 4.35Å; E399-R401 IonicContact OE1-CZ 2.74Å; E399-R401 IonicContact OE1-NE 2.77Å; E399-R401 PolarHBondContact OE1-NE 3.12Å; E399-R401 IonicContact OE1-NH2 2.81Å; E399-R401 PolarHBondContact OE1-NH2 3.35Å |
| 400 | A | 97.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 11.1 Ų | 11.1 | 3% | 0.025 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V345 M393 | V345-A400 HydrophobicContact CG2-CB 4.4Å; V345-A400 CarbonylContact O-C 3.49Å; V345-A400 WeakPolarHBondContact O-CA 3.47Å; M393-A400 HydrophobicContact CB-CB 4.34Å; M393-A400 HydrophobicContact CG-CB 4.12Å |
| 401 | R | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142.4 | 177.4 | -72.6 | -169.5 | -174.7 | 178.9 | 0 | 109.9 | E77 M121 H223 M225 M344 V345 L346 S347 E399 P403 | E77-R401 IonicContact OE1-CZ 3.26Å; E77-R401 IonicContact OE1-NH2 3.99Å; E77-R401 PolarHBondContact OE1-NH2 3.46Å; E77-R401 IonicContact OE2-NH2 2.83Å; M121-R401 HydrophobicContact CE-CG 3.63Å; H223-R401 VanDerWaalsContact O-CD 3.3Å; H223-R401 WeakPolarHBondContact O-CD 3.46Å; H223-R401 PolarHBondContact O-NH1 3.26Å; M225-R401 VanDerWaalsContact O-CZ 3.29Å; M225-R401 PolarHBondContact O-NH1 3.41Å; M225-R401 PolarHBondContact O-NH2 3.17Å; M344-R401 HydrophobicContact CG-CG 4.01Å; M344-R401 HydrophobicContact SD-CB 4.39Å; M344-R401 HydrophobicContact SD-CG 4.07Å; V345-R401 PolarHBondContact O-N 2.81Å; L346-R401 WeakPolarHBondContact CA-O 3.44Å; L346-R401 HydrophobicContact CG-CB 4.36Å; S347-R401 PolarHBondContact N-O 3.22Å; E399-R401 HydrophobicContact CG-CG 4.35Å; E399-R401 IonicContact OE1-CZ 2.74Å; E399-R401 IonicContact OE1-NE 2.77Å; E399-R401 PolarHBondContact OE1-NE 3.12Å; E399-R401 IonicContact OE1-NH2 2.81Å; E399-R401 PolarHBondContact OE1-NH2 3.35Å; R401-P403 WeakPolarHBondContact O-CD 3.24Å |
| 402 | V | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 13.7 Ų | 13.7 | 3% | 0.03 | 6% | 0.064 | C | C | . | . | trans | -128.9 | 75.3 | -164.9 | -70 | 0 | 0 | 0 | 0 | 112 | I143 E349 F404 L405 | I143-V402 HydrophobicContact CD1-CG2 3.99Å; I143-V402 HydrophobicContact CG1-CG2 4.26Å; I143-V402 HydrophobicContact CG2-CG2 3.62Å; E349-V402 HydrophobicContact CB-CB 4.32Å; E349-V402 HydrophobicContact CB-CG1 3.64Å; E349-V402 HydrophobicContact CG-CG1 3.82Å; V402-F404 VanDerWaalsContact C-N 3.26Å; V402-F404 PolarHBondContact O-N 3.31Å; V402-F404 VanDerWaalsContact O-N 3.12Å; V402-L405 HydrophobicContact CB-CB 4.42Å; V402-L405 HydrophobicContact CB-CD1 4.13Å; V402-L405 HydrophobicContact CB-CG 4.33Å; V402-L405 HydrophobicContact CG2-CB 4.04Å; V402-L405 HydrophobicContact CG2-CD1 3.91Å; V402-L405 HydrophobicContact CG2-CG 4.3Å; V402-L405 WeakPolarHBondContact O-CB 3.27Å; V402-L405 PolarHBondContact O-N 3.01Å | ||
| 403 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -59.1 | -28.3 | -171 | -26.2 | 36 | 0 | 0 | 0 | 115.4 | S219 V220 H223 I243 L346 S347 R401 L405 D406 | S219-P403 WeakPolarHBondContact OG-CA 3.22Å; S219-P403 WeakPolarHBondContact OG-CB 3.4Å; S219-P403 PolarHBondContact OG-O 2.94Å; V220-P403 HydrophobicContact CG2-CB 3.73Å; V220-P403 HydrophobicContact CG2-CG 4.01Å; H223-P403 HydrophobicContact CB-CG 4.11Å; I243-P403 HydrophobicContact CD1-CB 3.91Å; I243-P403 HydrophobicContact CD1-CG 4.02Å; L346-P403 HydrophobicContact CD2-CG 3.85Å; S347-P403 WeakPolarHBondContact O-CD 3.14Å; R401-P403 WeakPolarHBondContact O-CD 3.24Å; P403-L405 PolarHBondContact O-N 2.8Å; P403-D406 WeakPolarHBondContact O-CB 3.45Å; P403-D406 PolarHBondContact O-N 3.23Å; P403-D406 VanDerWaalsContact O-N 3.15Å |
| 404 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -66.4 | -13.8 | 174.7 | -75 | -74 | 0 | 0 | 0 | 113.3 | L216 D239 I242 I243 E349 F355 V402 F409 L410 L433 | L216-F404 HydrophobicContact CD1-CD1 3.81Å; L216-F404 HydrophobicContact CD1-CE1 3.89Å; L216-F404 HydrophobicContact CD1-CG 4.3Å; L216-F404 HydrophobicContact CD1-CZ 4.44Å; L216-F404 HydrophobicContact CD2-CD1 4.25Å; L216-F404 HydrophobicContact CD2-CE1 3.48Å; L216-F404 VanDerWaalsContact CD2-CE1 3.48Å; L216-F404 HydrophobicContact CD2-CZ 3.8Å; L216-F404 HydrophobicContact CG-CE1 4.36Å; D239-F404 HydrophobicContact CB-CE2 4.17Å; I242-F404 HydrophobicContact CG2-CZ 4.4Å; I243-F404 HydrophobicContact CD1-CD2 3.86Å; I243-F404 HydrophobicContact CD1-CE2 3.61Å; I243-F404 HydrophobicContact CD1-CZ 4.23Å; I243-F404 HydrophobicContact CG1-CD2 4.07Å; I243-F404 HydrophobicContact CG1-CE2 3.61Å; I243-F404 HydrophobicContact CG1-CZ 4.47Å; E349-F404 WeakPolarHBondContact O-CB 3.41Å; F355-F404 HydrophobicContact CE2-CD1 4.17Å; F355-F404 HydrophobicContact CE2-CE1 4.11Å; V402-F404 VanDerWaalsContact C-N 3.26Å; V402-F404 PolarHBondContact O-N 3.31Å; V402-F404 VanDerWaalsContact O-N 3.12Å; F404-F409 HydrophobicContact CB-CE1 4.17Å; F404-F409 AromaticContact CD1-CE1 3.62Å; F404-F409 HydrophobicContact CD1-CE1 3.62Å; F404-F409 AromaticContact CD1-CZ 3.74Å; F404-F409 HydrophobicContact CD1-CZ 3.74Å; F404-F409 HydrophobicContact CE1-CZ 4.25Å; F404-F409 HydrophobicContact CG-CE1 4.36Å; F404-F409 WeakPolarHBondContact O-CD1 3.35Å; F404-F409 WeakPolarHBondContact O-CE1 3.32Å; F404-L410 WeakPolarHBondContact O-CD2 3.27Å; F404-L433 HydrophobicContact CE1-CD1 4.18Å; F404-L433 HydrophobicContact CE1-CD2 4.1Å; F404-L433 HydrophobicContact CZ-CD2 4.22Å |
| 405 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -103.7 | 7.1 | 177.3 | -57.3 | -177.5 | 0 | 0 | 0 | 112.6 | H140 L141 I143 G350 L378 L381 C386 V402 P403 K407 L410 | H140-L405 PolarHBondContact NE2-O 3.43Å; L141-L405 HydrophobicContact CD1-CB 4.29Å; L141-L405 HydrophobicContact CD1-CD2 3.89Å; I143-L405 HydrophobicContact CD1-CB 3.93Å; I143-L405 HydrophobicContact CD1-CD1 4.48Å; I143-L405 HydrophobicContact CG1-CD1 4.19Å; G350-L405 VanDerWaalsContact CA-CD2 3.5Å; L378-L405 HydrophobicContact CD2-CD2 3.89Å; L381-L405 HydrophobicContact CD2-CD1 3.57Å; L381-L405 HydrophobicContact CD2-CD2 3.68Å; L381-L405 HydrophobicContact CD2-CG 4.25Å; C386-L405 VanDerWaalsContact SG-CD1 3.54Å; V402-L405 HydrophobicContact CB-CB 4.42Å; V402-L405 HydrophobicContact CB-CD1 4.13Å; V402-L405 HydrophobicContact CB-CG 4.33Å; V402-L405 HydrophobicContact CG2-CB 4.04Å; V402-L405 HydrophobicContact CG2-CD1 3.91Å; V402-L405 HydrophobicContact CG2-CG 4.3Å; V402-L405 WeakPolarHBondContact O-CB 3.27Å; V402-L405 PolarHBondContact O-N 3.01Å; P403-L405 PolarHBondContact O-N 2.8Å; L405-K407 PolarHBondContact O-N 3.29Å; L405-L410 WeakPolarHBondContact O-CD1 3.31Å |
| 406 | D | 98.5 | Very high | 98.3 | Very high | 10 Ų | 10 | 17.8 Ų | 17.8 | 5% | 0.053 | 8% | 0.079 | C | C | . | . | trans | -59.8 | 134.9 | 171.7 | 177.4 | -91.2 | 0 | 0 | 0 | 110.6 | S219 H223 P403 K408 F409 L410 | S219-D406 WeakPolarHBondContact OG-CB 3.19Å; H223-D406 IonicContact CE1-OD2 2.87Å; P403-D406 WeakPolarHBondContact O-CB 3.45Å; P403-D406 PolarHBondContact O-N 3.23Å; P403-D406 VanDerWaalsContact O-N 3.15Å; D406-K408 VanDerWaalsContact C-N 3.32Å; D406-K408 PolarHBondContact O-N 2.84Å; D406-K408 WeakPolarHBondContact OD1-CA 3.28Å; D406-K408 WeakPolarHBondContact OD1-CB 3.47Å; D406-K408 PolarHBondContact OD1-N 3.19Å; D406-F409 HydrophobicContact CB-CB 4.04Å; D406-F409 PolarHBondContact O-N 3.18Å; D406-F409 PolarHBondContact OD1-N 3.49Å; D406-L410 WeakPolarHBondContact O-CB 3.47Å; D406-L410 VanDerWaalsContact O-CG 3.29Å; D406-L410 WeakPolarHBondContact O-CG 3.45Å; D406-L410 PolarHBondContact O-N 3.06Å | ||
| 407 | K | 97.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 15.9 Ų | 15.9 | 5% | 0.052 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | -173.6 | -165.8 | 170.6 | 79.5 | 174.5 | 0 | 113.3 | D116 L118 Y192 R194 L405 D411 | D116-K407 VanDerWaalsContact C-NZ 3.31Å; D116-K407 PolarHBondContact O-NZ 2.96Å; D116-K407 IonicContact OD1-NZ 3.52Å; D116-K407 PolarHBondContact OD1-NZ 3.39Å; L118-K407 WeakPolarHBondContact O-CE 3.35Å; L118-K407 PolarHBondContact O-NZ 3.1Å; Y192-K407 HydrophobicContact CD2-CD 4.49Å; Y192-K407 HydrophobicContact CE2-CD 3.96Å; Y192-K407 HydrophobicContact CE2-CG 3.94Å; R194-K407 VanDerWaalsContact NH2-CD 3.3Å; L405-K407 PolarHBondContact O-N 3.29Å; K407-D411 WeakPolarHBondContact O-CB 3.49Å; K407-D411 VanDerWaalsContact O-CG 3.28Å; K407-D411 PolarHBondContact O-N 3.25Å; K407-D411 VanDerWaalsContact O-N 3.1Å |
| 408 | K | 98 | Very high | 98.4 | Very high | 118 Ų | 118 | 15.9 Ų | 15.9 | 51% | 0.513 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -73.6 | -39.3 | 178.6 | -75.9 | 177.5 | 162.8 | 165.5 | 0 | 111.4 | D406 D411 V412 | D406-K408 VanDerWaalsContact C-N 3.32Å; D406-K408 PolarHBondContact O-N 2.84Å; D406-K408 WeakPolarHBondContact OD1-CA 3.28Å; D406-K408 WeakPolarHBondContact OD1-CB 3.47Å; D406-K408 PolarHBondContact OD1-N 3.19Å; K408-D411 WeakPolarHBondContact O-CB 3.33Å; K408-D411 PolarHBondContact O-N 2.85Å; K408-V412 PolarHBondContact O-N 2.96Å |
| 409 | F | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 174.2 | 170.8 | -102.4 | 0 | 0 | 0 | 111.4 | L212 A215 L216 V354 F355 F404 D406 D411 V412 A413 | L212-F409 HydrophobicContact CD1-CE2 3.88Å; L212-F409 HydrophobicContact CD1-CZ 4.39Å; A215-F409 HydrophobicContact CB-CD2 4.04Å; L216-F409 HydrophobicContact CB-CD2 3.85Å; L216-F409 HydrophobicContact CB-CE2 3.63Å; L216-F409 HydrophobicContact CB-CZ 4.45Å; L216-F409 HydrophobicContact CD1-CD1 4.43Å; L216-F409 HydrophobicContact CD1-CD2 4.04Å; L216-F409 HydrophobicContact CD1-CE1 4.29Å; L216-F409 HydrophobicContact CD1-CE2 3.89Å; L216-F409 HydrophobicContact CD1-CG 4.29Å; L216-F409 HydrophobicContact CD1-CZ 4Å; L216-F409 HydrophobicContact CG-CE2 4.22Å; V354-F409 HydrophobicContact CG1-CE1 4.36Å; F355-F409 HydrophobicContact CE2-CE1 4.43Å; F355-F409 AromaticContact CE2-CZ 3.87Å; F355-F409 HydrophobicContact CE2-CZ 3.87Å; F355-F409 AromaticContact CZ-CZ 3.84Å; F355-F409 HydrophobicContact CZ-CZ 3.84Å; F404-F409 HydrophobicContact CB-CE1 4.17Å; F404-F409 AromaticContact CD1-CE1 3.62Å; F404-F409 HydrophobicContact CD1-CE1 3.62Å; F404-F409 AromaticContact CD1-CZ 3.74Å; F404-F409 HydrophobicContact CD1-CZ 3.74Å; F404-F409 HydrophobicContact CE1-CZ 4.25Å; F404-F409 HydrophobicContact CG-CE1 4.36Å; F404-F409 WeakPolarHBondContact O-CD1 3.35Å; F404-F409 WeakPolarHBondContact O-CE1 3.32Å; D406-F409 HydrophobicContact CB-CB 4.04Å; D406-F409 PolarHBondContact O-N 3.18Å; D406-F409 PolarHBondContact OD1-N 3.49Å; F409-D411 VanDerWaalsContact C-N 3.31Å; F409-D411 PolarHBondContact O-N 3.28Å; F409-V412 PolarHBondContact O-N 2.87Å; F409-V412 VanDerWaalsContact O-N 3.12Å; F409-A413 HydrophobicContact CD1-CB 4.4Å; F409-A413 HydrophobicContact CD2-CB 4.47Å; F409-A413 HydrophobicContact CE1-CB 3.87Å; F409-A413 HydrophobicContact CE2-CB 3.95Å; F409-A413 HydrophobicContact CZ-CB 3.64Å; F409-A413 WeakPolarHBondContact O-CB 3.39Å; F409-A413 PolarHBondContact O-N 3.23Å |
| 410 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.5 | -71.1 | 173 | 0 | 0 | 0 | 111.7 | L141 W196 V354 L378 F404 L405 D406 V412 A413 M414 | L141-L410 HydrophobicContact CD1-CD1 3.59Å; L141-L410 HydrophobicContact CG-CD1 4.45Å; W196-L410 HydrophobicContact CZ2-CB 4.18Å; V354-L410 HydrophobicContact CG2-CD2 3.43Å; V354-L410 VanDerWaalsContact CG2-CD2 3.43Å; L378-L410 HydrophobicContact CD1-CD2 4.34Å; L378-L410 HydrophobicContact CD2-CD2 4.17Å; F404-L410 WeakPolarHBondContact O-CD2 3.27Å; L405-L410 WeakPolarHBondContact O-CD1 3.31Å; D406-L410 WeakPolarHBondContact O-CB 3.47Å; D406-L410 VanDerWaalsContact O-CG 3.29Å; D406-L410 WeakPolarHBondContact O-CG 3.45Å; D406-L410 PolarHBondContact O-N 3.06Å; L410-V412 PolarHBondContact O-N 3.06Å; L410-A413 PolarHBondContact O-N 2.8Å; L410-M414 HydrophobicContact CD2-CG 4.45Å; L410-M414 WeakPolarHBondContact O-CB 3.31Å; L410-M414 WeakPolarHBondContact O-CG 3.34Å; L410-M414 PolarHBondContact O-N 2.84Å |
| 411 | D | 98.6 | Very high | 98.5 | Very high | 29 Ų | 29 | 23 Ų | 23 | 16% | 0.155 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.8 | -28.2 | 177.3 | -80.9 | -12.5 | 0 | 0 | 0 | 113.6 | R194 W196 K407 K408 F409 R415 | R194-D411 VanDerWaalsContact CD-OD1 3.27Å; R194-D411 WeakPolarHBondContact CD-OD1 3.5Å; R194-D411 IonicContact NE-OD1 2.79Å; R194-D411 PolarHBondContact NE-OD1 3.01Å; R194-D411 IonicContact NE-OD2 3.98Å; W196-D411 PolarHBondContact NE1-OD1 3.05Å; K407-D411 WeakPolarHBondContact O-CB 3.49Å; K407-D411 VanDerWaalsContact O-CG 3.28Å; K407-D411 PolarHBondContact O-N 3.25Å; K407-D411 VanDerWaalsContact O-N 3.1Å; K408-D411 WeakPolarHBondContact O-CB 3.33Å; K408-D411 PolarHBondContact O-N 2.85Å; F409-D411 VanDerWaalsContact C-N 3.31Å; F409-D411 PolarHBondContact O-N 3.28Å; D411-R415 WeakPolarHBondContact O-CB 3.4Å; D411-R415 VanDerWaalsContact O-CD 3.27Å; D411-R415 WeakPolarHBondContact O-CD 3.45Å; D411-R415 WeakPolarHBondContact O-CG 3.5Å; D411-R415 PolarHBondContact O-NH1 3.15Å |
| 412 | V | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 24.2 Ų | 24.2 | 18% | 0.182 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -84.3 | -54.1 | 172 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | E211 L212 A215 K408 F409 L410 M414 R415 I416 | E211-V412 HydrophobicContact CG-CG1 3.95Å; L212-V412 HydrophobicContact CD1-CG1 4.31Å; A215-V412 HydrophobicContact CB-CB 3.94Å; A215-V412 HydrophobicContact CB-CG1 3.98Å; A215-V412 HydrophobicContact CB-CG2 3.9Å; K408-V412 PolarHBondContact O-N 2.96Å; F409-V412 PolarHBondContact O-N 2.87Å; F409-V412 VanDerWaalsContact O-N 3.12Å; L410-V412 PolarHBondContact O-N 3.06Å; V412-M414 VanDerWaalsContact C-N 3.32Å; V412-M414 PolarHBondContact O-N 3.12Å; V412-R415 PolarHBondContact O-N 2.79Å; V412-R415 VanDerWaalsContact O-N 3.15Å; V412-I416 WeakPolarHBondContact O-CG2 3.36Å; V412-I416 PolarHBondContact O-N 3.08Å |
| 413 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.3 | -28.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L212 V354 F355 F409 L410 I416 K421 | L212-A413 HydrophobicContact CD1-CB 3.69Å; V354-A413 HydrophobicContact CG1-CB 3.56Å; F355-A413 HydrophobicContact CE1-CB 4.45Å; F355-A413 HydrophobicContact CZ-CB 4.01Å; F409-A413 HydrophobicContact CD1-CB 4.4Å; F409-A413 HydrophobicContact CD2-CB 4.47Å; F409-A413 HydrophobicContact CE1-CB 3.87Å; F409-A413 HydrophobicContact CE2-CB 3.95Å; F409-A413 HydrophobicContact CZ-CB 3.64Å; F409-A413 WeakPolarHBondContact O-CB 3.39Å; F409-A413 PolarHBondContact O-N 3.23Å; L410-A413 PolarHBondContact O-N 2.8Å; A413-I416 WeakPolarHBondContact O-CG1 3.5Å; A413-K421 VanDerWaalsContact O-CE 3.31Å; A413-K421 WeakPolarHBondContact O-CE 3.33Å; A413-K421 PolarHBondContact O-NZ 2.78Å |
| 414 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -15.1 | 176.8 | -63.2 | -57.2 | -66 | 0 | 0 | 113.3 | W196 V354 V375 L378 L410 V412 K421 | W196-M414 HydrophobicContact CB-CB 3.97Å; W196-M414 HydrophobicContact CD2-CB 3.37Å; W196-M414 HydrophobicContact CD2-CG 4Å; W196-M414 HydrophobicContact CE3-CB 3.46Å; W196-M414 VanDerWaalsContact CE3-CB 3.46Å; W196-M414 HydrophobicContact CE3-CE 4Å; W196-M414 HydrophobicContact CE3-CG 3.74Å; W196-M414 HydrophobicContact CG-CB 3.6Å; W196-M414 HydrophobicContact CH2-CG 4.13Å; W196-M414 HydrophobicContact CZ2-CB 4.47Å; W196-M414 HydrophobicContact CZ2-CG 4.34Å; W196-M414 HydrophobicContact CZ3-CB 4.1Å; W196-M414 HydrophobicContact CZ3-CE 4.07Å; W196-M414 HydrophobicContact CZ3-CG 3.83Å; V354-M414 HydrophobicContact CB-SD 4.42Å; V354-M414 HydrophobicContact CG1-SD 4Å; V375-M414 HydrophobicContact CG2-CE 3.97Å; L378-M414 HydrophobicContact CD1-CE 3.69Å; L378-M414 HydrophobicContact CD1-CG 4.07Å; L378-M414 HydrophobicContact CD1-SD 3.62Å; L410-M414 HydrophobicContact CD2-CG 4.45Å; L410-M414 WeakPolarHBondContact O-CB 3.31Å; L410-M414 WeakPolarHBondContact O-CG 3.34Å; L410-M414 PolarHBondContact O-N 2.84Å; V412-M414 VanDerWaalsContact C-N 3.32Å; V412-M414 PolarHBondContact O-N 3.12Å; M414-K421 PolarHBondContact SD-NZ 2.9Å |
| 415 | R | 98.7 | Very high | 97.5 | Very high | 85 Ų | 85 | 35.1 Ų | 35.1 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.9 | 173.3 | -74.3 | -172.5 | -174 | 112.5 | 0.7 | 114.2 | D195 W196 V202 N205 D411 V412 | D195-R415 IonicContact OD1-CZ 3.6Å; D195-R415 VanDerWaalsContact OD1-CZ 3.31Å; D195-R415 IonicContact OD1-NE 2.76Å; D195-R415 PolarHBondContact OD1-NE 2.81Å; D195-R415 VanDerWaalsContact OD1-NE 3.14Å; D195-R415 IonicContact OD1-NH2 3.91Å; D195-R415 PolarHBondContact OD1-NH2 2.79Å; D195-R415 IonicContact OD2-CZ 3.92Å; D195-R415 IonicContact OD2-NE 3.26Å; D195-R415 PolarHBondContact OD2-NE 2.85Å; D195-R415 IonicContact OD2-NH2 3.12Å; D195-R415 PolarHBondContact OD2-NH2 2.92Å; W196-R415 HydrophobicContact CB-CG 4.03Å; W196-R415 HydrophobicContact CG-CG 4.44Å; V202-R415 HydrophobicContact CG1-CG 4.37Å; N205-R415 VanDerWaalsContact CB-O 3.25Å; N205-R415 WeakPolarHBondContact CB-O 3.3Å; N205-R415 PolarHBondContact ND2-O 2.93Å; D411-R415 WeakPolarHBondContact O-CB 3.4Å; D411-R415 VanDerWaalsContact O-CD 3.27Å; D411-R415 WeakPolarHBondContact O-CD 3.45Å; D411-R415 WeakPolarHBondContact O-CG 3.5Å; D411-R415 PolarHBondContact O-NH1 3.15Å; V412-R415 PolarHBondContact O-N 2.79Å; V412-R415 VanDerWaalsContact O-N 3.15Å |
| 416 | I | 98.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -61.4 | 156.8 | 172.5 | 79.8 | -178.1 | 0 | 0 | 0 | 110.3 | T207 L212 F355 V412 A413 P418 K421 I432 | T207-I416 HydrophobicContact CG2-CB 3.91Å; T207-I416 HydrophobicContact CG2-CD1 4.47Å; T207-I416 HydrophobicContact CG2-CG2 4.13Å; L212-I416 HydrophobicContact CD2-CD1 4.28Å; F355-I416 HydrophobicContact CE1-CD1 4.12Å; V412-I416 WeakPolarHBondContact O-CG2 3.36Å; V412-I416 PolarHBondContact O-N 3.08Å; A413-I416 WeakPolarHBondContact O-CG1 3.5Å; I416-P418 VanDerWaalsContact O-CD 3.28Å; I416-P418 WeakPolarHBondContact O-CD 3.37Å; I416-K421 HydrophobicContact CD1-CD 4.42Å; I416-K421 VanDerWaalsContact CD1-CE 3.44Å; I416-K421 HydrophobicContact CD1-CG 4.1Å; I416-K421 VanDerWaalsContact CG1-CE 3.42Å; I416-K421 HydrophobicContact CG1-CG 4.44Å; I416-I432 HydrophobicContact CD1-CG1 4.36Å; I416-I432 HydrophobicContact CD1-CG2 4.17Å |
| 417 | N | 98.6 | Very high | 96.9 | Very high | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.15 | 23% | 0.234 | C | C | . | . | trans | -60.7 | 121.9 | -179.2 | -162.8 | -54.3 | 0 | 0 | 0 | 110.6 | K203 N205 T207 Q419 D420 | K203-N417 PolarHBondContact O-ND2 3.23Å; N205-N417 WeakPolarHBondContact O-CB 3.31Å; N205-N417 PolarHBondContact O-ND2 3.37Å; T207-N417 PolarHBondContact OG1-N 2.69Å; N417-Q419 PolarHBondContact O-N 3.02Å; N417-Q419 VanDerWaalsContact O-N 3.07Å; N417-Q419 WeakPolarHBondContact OD1-CB 3.06Å; N417-Q419 PolarHBondContact OD1-N 3.35Å; N417-D420 WeakPolarHBondContact O-CB 3.49Å; N417-D420 PolarHBondContact O-N 2.96Å | ||
| 418 | P | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -59.9 | -23.3 | 179.3 | -25.8 | 35.8 | 0 | 0 | 0 | 113.7 | Y199 V202 A367 H371 I416 D420 K421 | Y199-P418 HydrophobicContact CD2-CG 4.1Å; Y199-P418 HydrophobicContact CE2-CB 4.22Å; Y199-P418 HydrophobicContact CE2-CG 4.04Å; V202-P418 HydrophobicContact CG2-CG 3.67Å; A367-P418 HydrophobicContact CB-CB 4.11Å; H371-P418 HydrophobicContact CB-CB 3.97Å; H371-P418 HydrophobicContact CB-CG 4Å; I416-P418 VanDerWaalsContact O-CD 3.28Å; I416-P418 WeakPolarHBondContact O-CD 3.37Å; P418-D420 PolarHBondContact O-N 2.98Å; P418-K421 PolarHBondContact O-N 3.34Å; P418-K421 VanDerWaalsContact O-N 3.1Å |
| 419 | Q | 98 | Very high | 96.7 | Very high | 106 Ų | 106 | 37.6 Ų | 37.6 | 50% | 0.495 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -61.9 | -27.1 | 173.9 | -172.2 | 54.4 | 67.7 | 0 | 0 | 112.9 | A367 N417 K421 M422 | A367-Q419 HydrophobicContact CB-CB 4.39Å; N417-Q419 PolarHBondContact O-N 3.02Å; N417-Q419 VanDerWaalsContact O-N 3.07Å; N417-Q419 WeakPolarHBondContact OD1-CB 3.06Å; N417-Q419 PolarHBondContact OD1-N 3.35Å; Q419-K421 VanDerWaalsContact C-N 3.31Å; Q419-M422 WeakPolarHBondContact O-CB 3.23Å; Q419-M422 PolarHBondContact O-N 3.41Å |
| 420 | D | 97.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -78.6 | -15.5 | 177.4 | -68.2 | -39.5 | 0 | 0 | 0 | 113.2 | T207 N417 P418 I432 | T207-D420 WeakPolarHBondContact CB-OD2 3.42Å; T207-D420 PolarHBondContact OG1-OD2 3.45Å; N417-D420 WeakPolarHBondContact O-CB 3.49Å; N417-D420 PolarHBondContact O-N 2.96Å; P418-D420 PolarHBondContact O-N 2.98Å; D420-I432 HydrophobicContact CB-CG1 4.48Å |
| 421 | K | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -88.2 | -13.1 | 173.4 | -59.3 | -179.5 | -177.4 | -176.7 | 0 | 113 | V354 L370 A413 M414 I416 P418 Q419 I432 | V354-K421 WeakPolarHBondContact O-CE 3.46Å; V354-K421 PolarHBondContact O-NZ 3.31Å; L370-K421 HydrophobicContact CD1-CB 4.37Å; L370-K421 HydrophobicContact CD2-CB 3.75Å; L370-K421 HydrophobicContact CD2-CD 4.23Å; A413-K421 VanDerWaalsContact O-CE 3.31Å; A413-K421 WeakPolarHBondContact O-CE 3.33Å; A413-K421 PolarHBondContact O-NZ 2.78Å; M414-K421 PolarHBondContact SD-NZ 2.9Å; I416-K421 HydrophobicContact CD1-CD 4.42Å; I416-K421 VanDerWaalsContact CD1-CE 3.44Å; I416-K421 HydrophobicContact CD1-CG 4.1Å; I416-K421 VanDerWaalsContact CG1-CE 3.42Å; I416-K421 HydrophobicContact CG1-CG 4.44Å; P418-K421 PolarHBondContact O-N 3.34Å; P418-K421 VanDerWaalsContact O-N 3.1Å; Q419-K421 VanDerWaalsContact C-N 3.31Å; K421-I432 HydrophobicContact CG-CG2 4.43Å |
| 422 | M | 97.8 | Very high | 96.6 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | trans | -64.8 | 137.3 | -177.5 | -72 | -68.7 | -65.3 | 0 | 0 | 112.8 | A364 N366 A367 L370 Q419 | A364-M422 HydrophobicContact CB-SD 4.48Å; A364-M422 WeakPolarHBondContact O-CE 3.47Å; N366-M422 VanDerWaalsContact C-SD 3.52Å; A367-M422 HydrophobicContact CB-CG 4.22Å; A367-M422 HydrophobicContact CB-SD 4.47Å; L370-M422 HydrophobicContact CB-SD 3.81Å; L370-M422 HydrophobicContact CD1-CG 4.32Å; L370-M422 HydrophobicContact CD1-SD 3.55Å; L370-M422 VanDerWaalsContact CD1-SD 3.55Å; L370-M422 HydrophobicContact CG-SD 4.29Å; Q419-M422 WeakPolarHBondContact O-CB 3.23Å; Q419-M422 PolarHBondContact O-N 3.41Å | ||
| 423 | C | 95.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 13% | 0.128 | 21% | 0.208 | C | C | . | . | trans | -80.7 | 164.9 | 167.9 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | E429 | C423-E429 VanDerWaalsContact SG-CA 3.59Š| ||
| 424 | G | 91 | Very high | 96.6 | Very high | 34 Ų | 34 | 36.6 Ų | 36.6 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | 101.7 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G426 K427 | G424-G426 PolarHBondContact O-N 2.74Å; G424-G426 VanDerWaalsContact O-N 3.17Å; G424-K427 PolarHBondContact N-O 2.95Å; G424-K427 VanDerWaalsContact O-CB 3.32Å; G424-K427 WeakPolarHBondContact O-CB 3.35Å; G424-K427 PolarHBondContact O-N 3.28Å |
| 425 | N | 88.6 | Confident | 96.5 | Very high | 182 Ų | 182 | 39.4 Ų | 39.4 | 97% | 0.973 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 38.4 | -176.6 | -60.6 | -33.9 | 0 | 0 | 0 | 113.9 | K427 | N425-K427 VanDerWaalsContact C-N 3.32Š|
| 426 | G | 90 | Very high | 96.5 | Very high | 83 Ų | 83 | 35.4 Ų | 35.4 | 86% | 0.856 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -6.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G424 | G424-G426 PolarHBondContact O-N 2.74Å; G424-G426 VanDerWaalsContact O-N 3.17Å |
| 427 | K | 95.5 | Very high | 96.5 | Very high | 71 Ų | 71 | 35.1 Ų | 35.1 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -88 | 131.7 | 173.4 | -58.9 | -173.4 | 177 | -176.9 | 0 | 111.3 | G424 N425 H431 | G424-K427 PolarHBondContact N-O 2.95Å; G424-K427 VanDerWaalsContact O-CB 3.32Å; G424-K427 WeakPolarHBondContact O-CB 3.35Å; G424-K427 PolarHBondContact O-N 3.28Å; N425-K427 VanDerWaalsContact C-N 3.32Å; K427-H431 HydrophobicContact CB-CB 4.04Å; K427-H431 HydrophobicContact CD-CB 4.34Å; K427-H431 HydrophobicContact CG-CB 4.36Å |
| 428 | M | 95.2 | Very high | 96.5 | Very high | 38 Ų | 38 | 38.2 Ų | 38.2 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | trans | -92.5 | 177.2 | 168.7 | 71.7 | -172.4 | -60 | 0 | 0 | 111.2 | H431 W447 Q449 | M428-H431 WeakPolarHBondContact O-CB 3.4Å; M428-H431 PolarHBondContact O-N 3.1Å; M428-W447 HydrophobicContact SD-CE3 3.85Å; M428-W447 HydrophobicContact SD-CZ3 4.49Å; M428-Q449 HydrophobicContact CE-CB 4.26Å | ||
| 429 | E | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 142.2 | 176.2 | 76.8 | -67.9 | 166.3 | 0 | 0 | 111.7 | G357 H362 C423 H431 R434 K450 | G357-E429 WeakPolarHBondContact O-CG 3.35Å; H362-E429 IonicContact NE2-OE2 3.37Å; C423-E429 VanDerWaalsContact SG-CA 3.59Å; E429-H431 PolarHBondContact O-N 3.12Å; E429-R434 PolarHBondContact O-NE 3.02Å; E429-R434 IonicContact OE1-CZ 3.79Å; E429-R434 IonicContact OE1-NH2 2.8Å; E429-R434 PolarHBondContact OE1-NH2 3.2Å; E429-K450 HydrophobicContact CG-CB 4.07Å; E429-K450 PolarHBondContact OE1-N 3.14Å |
| 430 | K | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24.7 | 179.3 | -55.3 | 177.5 | 157.2 | 158.4 | 0 | 114.7 | L238 D239 S351 D352 F355 I432 L433 R434 | L238-K430 HydrophobicContact CD2-CB 3.95Å; L238-K430 HydrophobicContact CD2-CD 4.03Å; D239-K430 WeakPolarHBondContact OD1-CE 3.49Å; D239-K430 IonicContact OD1-NZ 2.6Å; D239-K430 PolarHBondContact OD1-NZ 3.48Å; D239-K430 IonicContact OD2-NZ 2.99Å; D239-K430 PolarHBondContact OD2-NZ 2.87Å; S351-K430 WeakPolarHBondContact O-CE 3.06Å; S351-K430 WeakPolarHBondContact OG-CE 3.27Å; S351-K430 PolarHBondContact OG-NZ 3.16Å; D352-K430 WeakPolarHBondContact OD1-CE 3.43Å; D352-K430 IonicContact OD1-NZ 2.72Å; D352-K430 PolarHBondContact OD1-NZ 2.8Å; D352-K430 IonicContact OD2-NZ 3.14Å; F355-K430 HydrophobicContact CB-CB 4.38Å; F355-K430 HydrophobicContact CB-CG 3.82Å; K430-I432 VanDerWaalsContact C-N 3.29Å; K430-I432 PolarHBondContact O-N 3.01Å; K430-L433 HydrophobicContact CB-CB 4.24Å; K430-L433 HydrophobicContact CD-CD2 4.38Å; K430-L433 WeakPolarHBondContact O-CB 3.48Å; K430-L433 PolarHBondContact O-N 2.88Å; K430-R434 WeakPolarHBondContact O-CG 3.39Å; K430-R434 PolarHBondContact O-N 2.94Å |
| 431 | H | 97.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -48.3 | -47.2 | -177.8 | -171.9 | -77.4 | 0 | 0 | 0 | 113.5 | K427 M428 E429 L433 R434 E435 W447 | K427-H431 HydrophobicContact CB-CB 4.04Å; K427-H431 HydrophobicContact CD-CB 4.34Å; K427-H431 HydrophobicContact CG-CB 4.36Å; M428-H431 WeakPolarHBondContact O-CB 3.4Å; M428-H431 PolarHBondContact O-N 3.1Å; E429-H431 PolarHBondContact O-N 3.12Å; H431-L433 VanDerWaalsContact C-N 3.31Å; H431-L433 PolarHBondContact O-N 2.84Å; H431-R434 WeakPolarHBondContact O-CB 3.37Å; H431-R434 PolarHBondContact O-N 3.15Å; H431-E435 IonicContact CE1-OE1 3.67Å; H431-E435 IonicContact CE1-OE2 3.71Å; H431-E435 VanDerWaalsContact ND1-CD 3.35Å; H431-E435 IonicContact ND1-OE1 3.23Å; H431-E435 IonicContact ND1-OE2 3.45Å; H431-E435 PolarHBondContact ND1-OE2 2.8Å; H431-E435 WeakPolarHBondContact O-CG 3.18Å; H431-E435 PolarHBondContact O-N 2.84Å; H431-W447 AromaticContact CD2-CH2 3.99Å; H431-W447 AromaticContact CD2-CZ3 3.76Å; H431-W447 AromaticContact NE2-CH2 3.79Å; H431-W447 AromaticContact NE2-CZ3 3.96Å |
| 432 | I | 98.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 179 | -173.7 | 56.1 | 0 | 0 | 0 | 112.8 | T207 K209 L212 F355 I416 D420 K421 K430 C436 | T207-I432 HydrophobicContact CG2-CD1 3.96Å; T207-I432 HydrophobicContact CG2-CG1 4.1Å; K209-I432 HydrophobicContact CD-CD1 4.06Å; K209-I432 HydrophobicContact CG-CD1 3.68Å; L212-I432 HydrophobicContact CD2-CG1 4.35Å; F355-I432 HydrophobicContact CD1-CG2 4.03Å; F355-I432 HydrophobicContact CE1-CG2 4.37Å; I416-I432 HydrophobicContact CD1-CG1 4.36Å; I416-I432 HydrophobicContact CD1-CG2 4.17Å; D420-I432 HydrophobicContact CB-CG1 4.48Å; K421-I432 HydrophobicContact CG-CG2 4.43Å; K430-I432 VanDerWaalsContact C-N 3.29Å; K430-I432 PolarHBondContact O-N 3.01Å; I432-C436 PolarHBondContact O-N 2.77Å; I432-C436 PolarHBondContact O-SG 3.22Å |
| 433 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69 | -41 | 176.4 | -177.2 | 68.2 | 0 | 0 | 0 | 110.9 | L216 L238 I242 S351 F355 F404 K430 H431 C436 F437 | L216-L433 HydrophobicContact CD2-CD1 4.45Å; L238-L433 HydrophobicContact CD2-CD2 4.18Å; I242-L433 HydrophobicContact CD1-CD1 4.08Å; I242-L433 HydrophobicContact CD1-CD2 3.83Å; I242-L433 HydrophobicContact CD1-CG 3.66Å; S351-L433 WeakPolarHBondContact OG-CD2 3.44Å; F355-L433 HydrophobicContact CD1-CB 4.39Å; F355-L433 HydrophobicContact CD2-CB 4.47Å; F355-L433 HydrophobicContact CD2-CD2 3.89Å; F355-L433 HydrophobicContact CE1-CB 4.48Å; F355-L433 HydrophobicContact CE2-CD1 3.9Å; F355-L433 HydrophobicContact CE2-CD2 4.03Å; F355-L433 HydrophobicContact CE2-CG 4.38Å; F355-L433 HydrophobicContact CG-CB 4.39Å; F355-L433 HydrophobicContact CG-CD2 4.49Å; F355-L433 HydrophobicContact CZ-CD1 3.95Å; F404-L433 HydrophobicContact CE1-CD1 4.18Å; F404-L433 HydrophobicContact CE1-CD2 4.1Å; F404-L433 HydrophobicContact CZ-CD2 4.22Å; K430-L433 HydrophobicContact CB-CB 4.24Å; K430-L433 HydrophobicContact CD-CD2 4.38Å; K430-L433 WeakPolarHBondContact O-CB 3.48Å; K430-L433 PolarHBondContact O-N 2.88Å; H431-L433 VanDerWaalsContact C-N 3.31Å; H431-L433 PolarHBondContact O-N 2.84Å; L433-C436 WeakPolarHBondContact O-CB 3.35Å; L433-C436 PolarHBondContact O-N 3.1Å; L433-C436 VanDerWaalsContact O-N 3.15Å; L433-F437 HydrophobicContact CD1-CD2 3.7Å; L433-F437 HydrophobicContact CD1-CE2 3.71Å; L433-F437 HydrophobicContact CG-CD2 4.38Å; L433-F437 WeakPolarHBondContact O-CD2 3.38Å; L433-F437 PolarHBondContact O-N 2.97Å |
| 434 | R | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 175.2 | -63.4 | 174.3 | -173.4 | -86.3 | 5.4 | 110.9 | L238 E429 K430 H431 C436 F437 E438 A446 W447 R448 | L238-R434 HydrophobicContact CD1-CG 3.99Å; L238-R434 HydrophobicContact CD2-CG 3.5Å; L238-R434 VanDerWaalsContact CD2-CG 3.5Å; L238-R434 HydrophobicContact CG-CG 4.4Å; E429-R434 PolarHBondContact O-NE 3.02Å; E429-R434 IonicContact OE1-CZ 3.79Å; E429-R434 IonicContact OE1-NH2 2.8Å; E429-R434 PolarHBondContact OE1-NH2 3.2Å; K430-R434 WeakPolarHBondContact O-CG 3.39Å; K430-R434 PolarHBondContact O-N 2.94Å; H431-R434 WeakPolarHBondContact O-CB 3.37Å; H431-R434 PolarHBondContact O-N 3.15Å; R434-C436 PolarHBondContact O-N 2.93Å; R434-F437 CarbonylContact O-C 3.58Å; R434-F437 PolarHBondContact O-N 2.84Å; R434-F437 VanDerWaalsContact O-N 3.14Å; R434-E438 WeakPolarHBondContact O-CA 3.14Å; R434-E438 WeakPolarHBondContact O-CB 3.41Å; R434-E438 PolarHBondContact O-N 3.33Å; R434-A446 WeakPolarHBondContact CD-O 3.34Å; R434-A446 VanDerWaalsContact CG-O 3.28Å; R434-A446 WeakPolarHBondContact CG-O 3.3Å; R434-A446 PolarHBondContact NH1-O 3.05Å; R434-W447 HydrophobicContact CB-CE3 4.42Å; R434-W447 HydrophobicContact CB-CH2 4.07Å; R434-W447 HydrophobicContact CB-CZ2 4.28Å; R434-W447 HydrophobicContact CB-CZ3 4.14Å; R434-R448 VanDerWaalsContact CZ-O 3.31Å; R434-R448 PolarHBondContact NH1-O 2.76Å; R434-R448 PolarHBondContact NH2-O 2.94Å |
| 435 | E | 97.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -32 | 176.2 | -68.8 | -179.5 | 112.5 | 0 | 0 | 113.2 | K209 H431 W447 | K209-E435 VanDerWaalsContact CE-OE2 3.26Å; K209-E435 WeakPolarHBondContact CE-OE2 3.49Å; K209-E435 IonicContact NZ-OE1 3.99Å; K209-E435 PolarHBondContact NZ-OE1 2.79Å; K209-E435 IonicContact NZ-OE2 2.65Å; K209-E435 PolarHBondContact NZ-OE2 2.7Å; H431-E435 IonicContact CE1-OE1 3.67Å; H431-E435 IonicContact CE1-OE2 3.71Å; H431-E435 VanDerWaalsContact ND1-CD 3.35Å; H431-E435 IonicContact ND1-OE1 3.23Å; H431-E435 IonicContact ND1-OE2 3.45Å; H431-E435 PolarHBondContact ND1-OE2 2.8Å; H431-E435 WeakPolarHBondContact O-CG 3.18Å; H431-E435 PolarHBondContact O-N 2.84Å; E435-W447 HydrophobicContact CG-CH2 4.38Å |
| 436 | C | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69 | -35.2 | 177.5 | -68.4 | 0 | 0 | 0 | 0 | 112 | R213 I432 L433 R434 | R213-C436 PolarHBondContact NE-O 2.83Å; R213-C436 PolarHBondContact NH2-O 3.05Å; I432-C436 PolarHBondContact O-N 2.77Å; I432-C436 PolarHBondContact O-SG 3.22Å; L433-C436 WeakPolarHBondContact O-CB 3.35Å; L433-C436 PolarHBondContact O-N 3.1Å; L433-C436 VanDerWaalsContact O-N 3.15Å; R434-C436 PolarHBondContact O-N 2.93Å |
| 437 | F | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -122.7 | 5.6 | -167.7 | -66.6 | -79.2 | 0 | 0 | 0 | 115.3 | R213 L216 I242 I246 L433 R434 A439 Y440 | R213-F437 HydrophobicContact CB-CZ 4.14Å; R213-F437 HydrophobicContact CG-CD1 4.35Å; R213-F437 HydrophobicContact CG-CE1 3.61Å; R213-F437 HydrophobicContact CG-CZ 3.73Å; L216-F437 HydrophobicContact CB-CE2 4.47Å; L216-F437 HydrophobicContact CB-CZ 3.91Å; L216-F437 HydrophobicContact CD2-CE1 4.43Å; L216-F437 HydrophobicContact CD2-CE2 3.69Å; L216-F437 HydrophobicContact CD2-CZ 3.63Å; L216-F437 HydrophobicContact CG-CZ 4.25Å; I242-F437 HydrophobicContact CD1-CB 3.84Å; I242-F437 HydrophobicContact CD1-CD2 3.92Å; I242-F437 HydrophobicContact CD1-CG 4.06Å; I242-F437 HydrophobicContact CG1-CB 3.78Å; I242-F437 HydrophobicContact CG1-CD2 4.44Å; I242-F437 HydrophobicContact CG1-CG 4.11Å; I242-F437 HydrophobicContact CG2-CB 4.37Å; I242-F437 HydrophobicContact CG2-CD1 3.91Å; I242-F437 HydrophobicContact CG2-CD2 4.01Å; I242-F437 HydrophobicContact CG2-CE1 4.18Å; I242-F437 HydrophobicContact CG2-CE2 4.28Å; I242-F437 HydrophobicContact CG2-CG 3.82Å; I242-F437 HydrophobicContact CG2-CZ 4.36Å; I246-F437 HydrophobicContact CD1-CD1 4.25Å; I246-F437 HydrophobicContact CD1-CE1 3.55Å; I246-F437 HydrophobicContact CD1-CZ 4.03Å; I246-F437 HydrophobicContact CG1-CE1 4.1Å; L433-F437 HydrophobicContact CD1-CD2 3.7Å; L433-F437 HydrophobicContact CD1-CE2 3.71Å; L433-F437 HydrophobicContact CG-CD2 4.38Å; L433-F437 WeakPolarHBondContact O-CD2 3.38Å; L433-F437 PolarHBondContact O-N 2.97Å; R434-F437 CarbonylContact O-C 3.58Å; R434-F437 PolarHBondContact O-N 2.84Å; R434-F437 VanDerWaalsContact O-N 3.14Å; F437-A439 PolarHBondContact O-N 3.24Å; F437-A439 VanDerWaalsContact O-N 3.1Å; F437-Y440 HydrophobicContact CD1-CD1 4.35Å; F437-Y440 HydrophobicContact CD1-CD2 4.28Å; F437-Y440 HydrophobicContact CD1-CE1 4.49Å; F437-Y440 HydrophobicContact CD1-CE2 4.47Å; F437-Y440 HydrophobicContact CD1-CG 4.26Å; F437-Y440 WeakPolarHBondContact O-CB 3.2Å; F437-Y440 PolarHBondContact O-N 3.1Å |
| 438 | E | 97.9 | Very high | 97.5 | Very high | 92 Ų | 92 | 32.4 Ų | 32.4 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -56.1 | -32.2 | -179 | 59 | 174.5 | -173 | 0 | 0 | 113.2 | R434 Y440 L441 A446 W447 | R434-E438 WeakPolarHBondContact O-CA 3.14Å; R434-E438 WeakPolarHBondContact O-CB 3.41Å; R434-E438 PolarHBondContact O-N 3.33Å; E438-Y440 PolarHBondContact O-N 2.86Å; E438-L441 PolarHBondContact O-N 2.78Å; E438-L441 VanDerWaalsContact O-O 3.11Å; E438-A446 HydrophobicContact CB-CB 4.24Å; E438-W447 WeakPolarHBondContact OE2-CZ2 3.4Å; E438-W447 PolarHBondContact OE2-NE1 2.82Å |
| 439 | A | 97.8 | Very high | 97.5 | Very high | 92 Ų | 92 | 32.2 Ų | 32.2 | 76% | 0.76 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -70.4 | -13 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | F437 | F437-A439 PolarHBondContact O-N 3.24Å; F437-A439 VanDerWaalsContact O-N 3.1Å |
| 440 | Y | 98.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -92.3 | -10.4 | -177.6 | -72.6 | -125.8 | 0 | 0 | 0 | 111.7 | E217 A245 I246 H290 F437 E438 | E217-Y440 WeakPolarHBondContact OE1-CE1 3.47Å; E217-Y440 PolarHBondContact OE1-OH 2.8Å; A245-Y440 HydrophobicContact CB-CD1 4.21Å; I246-Y440 HydrophobicContact CG1-CD1 4.43Å; I246-Y440 HydrophobicContact CG1-CE1 4.39Å; H290-Y440 PolarHBondContact NE2-O 3.14Å; F437-Y440 HydrophobicContact CD1-CD1 4.35Å; F437-Y440 HydrophobicContact CD1-CD2 4.28Å; F437-Y440 HydrophobicContact CD1-CE1 4.49Å; F437-Y440 HydrophobicContact CD1-CE2 4.47Å; F437-Y440 HydrophobicContact CD1-CG 4.26Å; F437-Y440 WeakPolarHBondContact O-CB 3.2Å; F437-Y440 PolarHBondContact O-N 3.1Å; E438-Y440 PolarHBondContact O-N 2.86Å |
| 441 | L | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -133.3 | 157.4 | -165.9 | -61.6 | -177.5 | 0 | 0 | 0 | 112 | L238 I242 A245 V287 E438 A443 A446 | L238-L441 HydrophobicContact CD1-CD1 4.05Å; I242-L441 HydrophobicContact CG1-CD1 3.9Å; A245-L441 HydrophobicContact CB-CD2 4.05Å; V287-L441 HydrophobicContact CG1-CD2 4.41Å; E438-L441 PolarHBondContact O-N 2.78Å; E438-L441 VanDerWaalsContact O-O 3.11Å; L441-A443 PolarHBondContact O-N 3.22Å; L441-A446 HydrophobicContact CB-CB 4.13Å |
| 442 | P | 97.8 | Very high | 96.6 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 10% | 0.104 | 19% | 0.19 | C | C | . | . | trans | -56.8 | 136.2 | 162.1 | -21.9 | 34.2 | 0 | 0 | 0 | 110.7 | E286 H290 S444 V445 A446 | E286-P442 HydrophobicContact CG-CB 4.27Å; E286-P442 HydrophobicContact CG-CG 4.17Å; H290-P442 HydrophobicContact CB-CG 3.62Å; P442-S444 WeakPolarHBondContact CB-OG 3.33Å; P442-S444 PolarHBondContact O-N 2.86Å; P442-V445 HydrophobicContact CB-CG2 4.42Å; P442-V445 PolarHBondContact O-N 3.43Å; P442-A446 PolarHBondContact O-N 3.21Å | ||
| 443 | A | 97.6 | Very high | 96.3 | Very high | 73 Ų | 73 | 36.4 Ų | 36.4 | 60% | 0.603 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -57.6 | -34.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L441 V445 W447 | L441-A443 PolarHBondContact O-N 3.22Å; A443-V445 PolarHBondContact O-N 3.39Å; A443-W447 PolarHBondContact O-N 2.75Å; A443-W447 VanDerWaalsContact O-N 3.11Å |
| 444 | S | 96.7 | Very high | 95.8 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 43% | 0.427 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.8 | -30.7 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | E286 P442 R448 | E286-S444 PolarHBondContact OE1-OG 2.89Å; E286-S444 PolarHBondContact OE2-OG 3.11Å; P442-S444 WeakPolarHBondContact CB-OG 3.33Å; P442-S444 PolarHBondContact O-N 2.86Å; S444-R448 WeakPolarHBondContact O-CB 3.21Å; S444-R448 PolarHBondContact O-N 2.79Å |
| 445 | V | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -97.8 | -43.5 | -179.5 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | V287 P442 A443 W447 R448 | V287-V445 HydrophobicContact CG2-CB 4.01Å; V287-V445 HydrophobicContact CG2-CG1 3.68Å; V287-V445 HydrophobicContact CG2-CG2 3.6Å; P442-V445 HydrophobicContact CB-CG2 4.42Å; P442-V445 PolarHBondContact O-N 3.43Å; A443-V445 PolarHBondContact O-N 3.39Å; V445-W447 PolarHBondContact O-N 2.93Å; V445-R448 WeakPolarHBondContact O-CB 3.32Å; V445-R448 PolarHBondContact O-N 3.42Å |
| 446 | A | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.7 | -29.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | R434 E438 L441 P442 | R434-A446 WeakPolarHBondContact CD-O 3.34Å; R434-A446 VanDerWaalsContact CG-O 3.28Å; R434-A446 WeakPolarHBondContact CG-O 3.3Å; R434-A446 PolarHBondContact NH1-O 3.05Å; E438-A446 HydrophobicContact CB-CB 4.24Å; L441-A446 HydrophobicContact CB-CB 4.13Å; P442-A446 PolarHBondContact O-N 3.21Å |
| 447 | W | 97.2 | Very high | 94.6 | Very high | 94 Ų | 94 | 33.5 Ų | 33.5 | 36% | 0.356 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 19 | 180 | -61.5 | 98.9 | 0 | 0 | 0 | 113.5 | M428 H431 R434 E435 E438 A443 V445 | M428-W447 HydrophobicContact SD-CE3 3.85Å; M428-W447 HydrophobicContact SD-CZ3 4.49Å; H431-W447 AromaticContact CD2-CH2 3.99Å; H431-W447 AromaticContact CD2-CZ3 3.76Å; H431-W447 AromaticContact NE2-CH2 3.79Å; H431-W447 AromaticContact NE2-CZ3 3.96Å; R434-W447 HydrophobicContact CB-CE3 4.42Å; R434-W447 HydrophobicContact CB-CH2 4.07Å; R434-W447 HydrophobicContact CB-CZ2 4.28Å; R434-W447 HydrophobicContact CB-CZ3 4.14Å; E435-W447 HydrophobicContact CG-CH2 4.38Å; E438-W447 WeakPolarHBondContact OE2-CZ2 3.4Å; E438-W447 PolarHBondContact OE2-NE1 2.82Å; A443-W447 PolarHBondContact O-N 2.75Å; A443-W447 VanDerWaalsContact O-N 3.11Å; V445-W447 PolarHBondContact O-N 2.93Å |
| 448 | R | 95.1 | Very high | 94.3 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 17% | 0.17 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 133.1 | 171.9 | -170.5 | 177 | 170.6 | -150.6 | -7 | 110.5 | G236 D280 R434 S444 V445 | G236-R448 PolarHBondContact O-NH1 3.45Å; D280-R448 IonicContact OD1-CZ 3.85Å; D280-R448 IonicContact OD1-NH1 3.48Å; D280-R448 PolarHBondContact OD1-NH1 2.65Å; D280-R448 IonicContact OD1-NH2 3.81Å; D280-R448 PolarHBondContact OD1-NH2 3.3Å; R434-R448 VanDerWaalsContact CZ-O 3.31Å; R434-R448 PolarHBondContact NH1-O 2.76Å; R434-R448 PolarHBondContact NH2-O 2.94Å; S444-R448 WeakPolarHBondContact O-CB 3.21Å; S444-R448 PolarHBondContact O-N 2.79Å; V445-R448 WeakPolarHBondContact O-CB 3.32Å; V445-R448 PolarHBondContact O-N 3.42Å |
| 449 | Q | 93.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 32.1 Ų | 32.1 | 16% | 0.159 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 145.7 | 172.8 | -178.6 | 174.6 | 55.5 | 0 | 0 | 111 | L359 M428 E451 V548 Q550 | L359-Q449 HydrophobicContact CD2-CG 4.01Å; M428-Q449 HydrophobicContact CE-CB 4.26Å; Q449-E451 PolarHBondContact O-N 2.8Å; Q449-V548 PolarHBondContact NE2-O 2.95Å; Q449-Q550 VanDerWaalsContact OE1-CG 3.29Å |
| 450 | K | 93 | Very high | 93.5 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 16% | 0.161 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -52 | 122.3 | 172.1 | 179.6 | 67.4 | 177 | -172.2 | 0 | 111.1 | D239 D352 G357 L359 E429 | D239-K450 IonicContact OD2-NZ 3.66Å; D352-K450 VanDerWaalsContact OD1-CE 3.25Å; D352-K450 WeakPolarHBondContact OD1-CE 3.44Å; D352-K450 IonicContact OD1-NZ 2.65Å; D352-K450 PolarHBondContact OD1-NZ 3.43Å; D352-K450 IonicContact OD2-NZ 3.44Å; D352-K450 PolarHBondContact OD2-NZ 2.91Å; G357-K450 WeakPolarHBondContact O-CG 3.29Å; L359-K450 HydrophobicContact CD2-CB 3.99Å; L359-K450 HydrophobicContact CG-CB 4.34Å; E429-K450 HydrophobicContact CG-CB 4.07Å; E429-K450 PolarHBondContact OE1-N 3.14Å |
| 451 | E | 91.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 28 Ų | 28 | 15% | 0.15 | 15% | 0.152 | C | C | . | . | trans | -108.8 | 131.2 | 162.9 | -163.6 | 80.6 | -139.2 | 0 | 0 | 106.7 | Q449 Y459 H549 | Q449-E451 PolarHBondContact O-N 2.8Å; E451-Y459 VanDerWaalsContact OE1-CE1 3.28Å; E451-Y459 WeakPolarHBondContact OE1-CE1 3.3Å; E451-Y459 PolarHBondContact OE1-OH 3.18Å; E451-Y459 PolarHBondContact OE2-OH 3.34Å; E451-H549 IonicContact OE1-CE1 2.69Å; E451-H549 PolarHBondContact OE1-CE1 3.32Å; E451-H549 IonicContact OE1-NE2 3.21Å; E451-H549 PolarHBondContact OE1-NE2 2.84Å; E451-H549 IonicContact OE2-CE1 2.76Å; E451-H549 IonicContact OE2-NE2 3.31Å | ||
| 452 | Q | 89.6 | Confident | 93 | Very high | 15 Ų | 15 | 27.6 Ų | 27.6 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | trans | -69.8 | 145.1 | 172.7 | -70 | -175.9 | -1.3 | 0 | 0 | 109.4 | S454 D455 G456 P541 G543 | Q452-S454 VanDerWaalsContact C-N 3.35Å; Q452-S454 PolarHBondContact O-N 3.45Å; Q452-D455 HydrophobicContact CB-CB 4.36Å; Q452-D455 WeakPolarHBondContact O-CB 3.37Å; Q452-D455 PolarHBondContact O-N 3.27Å; Q452-D455 PolarHBondContact OE1-OD2 3.3Å; Q452-G456 PolarHBondContact O-N 3.09Å; Q452-P541 PolarHBondContact NE2-O 2.93Å; Q452-P541 VanDerWaalsContact NE2-O 3.07Å; Q452-P541 PolarHBondContact OE1-O 3.47Å; Q452-G543 VanDerWaalsContact CD-CA 3.44Å; Q452-G543 VanDerWaalsContact NE2-CA 3.32Å; Q452-G543 VanDerWaalsContact NE2-N 3.14Å | ||
| 453 | F | 91.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 30.4 Ų | 30.4 | 18% | 0.18 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | -173.6 | -179.1 | -123.1 | 0 | 0 | 0 | 113.1 | V273 A326 P329 M330 D455 G456 V457 | V273-F453 HydrophobicContact CG1-CE2 4.16Å; V273-F453 HydrophobicContact CG1-CZ 3.66Å; A326-F453 HydrophobicContact CB-CD1 4.1Å; A326-F453 WeakPolarHBondContact O-CE1 3.42Å; P329-F453 HydrophobicContact CB-CE1 4.3Å; P329-F453 HydrophobicContact CB-CZ 4.21Å; M330-F453 HydrophobicContact CB-CE1 4.33Å; F453-D455 VanDerWaalsContact C-N 3.25Å; F453-D455 PolarHBondContact O-N 3.22Å; F453-G456 PolarHBondContact O-N 3.11Å; F453-V457 HydrophobicContact CD2-CG1 4.02Å; F453-V457 HydrophobicContact CE1-CG1 4.4Å; F453-V457 HydrophobicContact CE2-CG1 3.61Å; F453-V457 HydrophobicContact CZ-CG1 3.83Å; F453-V457 WeakPolarHBondContact O-CG1 3.36Å; F453-V457 PolarHBondContact O-N 3.33Å |
| 454 | S | 88.6 | Confident | 92.5 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -28.7 | 177 | 46.9 | 0 | 0 | 0 | 0 | 113.8 | Q452 V457 | Q452-S454 VanDerWaalsContact C-N 3.35Å; Q452-S454 PolarHBondContact O-N 3.45Å; S454-V457 VanDerWaalsContact O-CG2 3.28Å; S454-V457 WeakPolarHBondContact O-CG2 3.26Å |
| 455 | D | 88.3 | Confident | 92.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -80.8 | -45.4 | 173.7 | -75.6 | -71.6 | 0 | 0 | 0 | 110.8 | Q452 F453 V457 G458 Y459 I462 S542 G543 R544 | Q452-D455 HydrophobicContact CB-CB 4.36Å; Q452-D455 WeakPolarHBondContact O-CB 3.37Å; Q452-D455 PolarHBondContact O-N 3.27Å; Q452-D455 PolarHBondContact OE1-OD2 3.3Å; F453-D455 VanDerWaalsContact C-N 3.25Å; F453-D455 PolarHBondContact O-N 3.22Å; D455-V457 VanDerWaalsContact C-N 3.33Å; D455-V457 PolarHBondContact O-N 3.16Å; D455-G458 CarbonylContact O-C 3.58Å; D455-G458 PolarHBondContact O-N 3.3Å; D455-Y459 HydrophobicContact CB-CD1 4.27Å; D455-Y459 HydrophobicContact CB-CE1 4.01Å; D455-I462 HydrophobicContact CB-CD1 4.46Å; D455-I462 VanDerWaalsContact OD1-CD1 3.3Å; D455-I462 WeakPolarHBondContact OD1-CD1 3.17Å; D455-S542 VanDerWaalsContact CG-OG 3.28Å; D455-S542 PolarHBondContact OD1-OG 2.55Å; D455-S542 PolarHBondContact OD2-OG 3.37Å; D455-G543 PolarHBondContact OD2-N 3.12Å; D455-R544 WeakPolarHBondContact OD1-CD 3.44Å |
| 456 | G | 89 | Confident | 92.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.4 | -27.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S278 P279 D280 Q452 F453 G458 | S278-G456 WeakPolarHBondContact CB-O 3.2Å; P279-G456 WeakPolarHBondContact CD-O 3.46Å; D280-G456 WeakPolarHBondContact CB-O 3.5Å; D280-G456 PolarHBondContact N-O 3.18Å; Q452-G456 PolarHBondContact O-N 3.09Å; F453-G456 PolarHBondContact O-N 3.11Å; G456-G458 PolarHBondContact O-N 3.21Å |
| 457 | V | 92.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -14.1 | 170.6 | -65.4 | 0 | 0 | 0 | 0 | 113.1 | G274 L275 S278 F300 P329 F453 S454 D455 W461 | G274-V457 WeakPolarHBondContact CA-O 3.29Å; L275-V457 WeakPolarHBondContact CB-O 3.4Å; L275-V457 PolarHBondContact N-O 3.39Å; S278-V457 WeakPolarHBondContact CB-O 3.5Å; F300-V457 HydrophobicContact CE1-CB 4.33Å; P329-V457 HydrophobicContact CB-CG1 3.95Å; P329-V457 HydrophobicContact CG-CB 4.33Å; P329-V457 HydrophobicContact CG-CG1 4.01Å; P329-V457 HydrophobicContact CG-CG2 4Å; F453-V457 HydrophobicContact CD2-CG1 4.02Å; F453-V457 HydrophobicContact CE1-CG1 4.4Å; F453-V457 HydrophobicContact CE2-CG1 3.61Å; F453-V457 HydrophobicContact CZ-CG1 3.83Å; F453-V457 WeakPolarHBondContact O-CG1 3.36Å; F453-V457 PolarHBondContact O-N 3.33Å; S454-V457 VanDerWaalsContact O-CG2 3.28Å; S454-V457 WeakPolarHBondContact O-CG2 3.26Å; D455-V457 VanDerWaalsContact C-N 3.33Å; D455-V457 PolarHBondContact O-N 3.16Å; V457-W461 HydrophobicContact CG2-CG 4.45Å |
| 458 | G | 91.5 | Very high | 92.2 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | trans | 130.9 | 122.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D455 G456 S460 W461 | D455-G458 CarbonylContact O-C 3.58Å; D455-G458 PolarHBondContact O-N 3.3Å; G456-G458 PolarHBondContact O-N 3.21Å; G458-S460 VanDerWaalsContact C-N 3.27Å; G458-S460 PolarHBondContact O-N 2.68Å; G458-S460 VanDerWaalsContact O-N 3.12Å; G458-W461 WeakPolarHBondContact O-CB 3.24Å; G458-W461 PolarHBondContact O-N 2.83Å | ||
| 459 | Y | 87.1 | Confident | 92.2 | Very high | 57 Ų | 57 | 29.3 Ų | 29.3 | 22% | 0.224 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.7 | -170.6 | -57.6 | -47.2 | 0 | 0 | 0 | 115.6 | E451 D455 W461 I462 D463 R544 | E451-Y459 VanDerWaalsContact OE1-CE1 3.28Å; E451-Y459 WeakPolarHBondContact OE1-CE1 3.3Å; E451-Y459 PolarHBondContact OE1-OH 3.18Å; E451-Y459 PolarHBondContact OE2-OH 3.34Å; D455-Y459 HydrophobicContact CB-CD1 4.27Å; D455-Y459 HydrophobicContact CB-CE1 4.01Å; Y459-W461 PolarHBondContact O-N 3.45Å; Y459-I462 PolarHBondContact O-N 3.41Å; Y459-D463 PolarHBondContact O-N 2.91Å; Y459-R544 HydrophobicContact CE1-CG 4.37Å |
| 460 | S | 91.2 | Very high | 92.4 | Very high | 61 Ų | 61 | 30 Ų | 30 | 43% | 0.427 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.8 | -18.2 | 177 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | L275 G458 T464 | L275-S460 WeakPolarHBondContact CD1-OG 3.5Å; G458-S460 VanDerWaalsContact C-N 3.27Å; G458-S460 PolarHBondContact O-N 2.68Å; G458-S460 VanDerWaalsContact O-N 3.12Å; S460-T464 VanDerWaalsContact O-CB 3.28Å; S460-T464 WeakPolarHBondContact O-CB 3.42Å; S460-T464 PolarHBondContact O-N 2.84Å; S460-T464 PolarHBondContact O-OG1 2.73Å |
| 461 | W | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -55.8 | 174 | 175.1 | -133.2 | 0 | 0 | 0 | 111.3 | L275 F300 V302 I309 R325 T328 V457 G458 Y459 T464 L465 | L275-W461 HydrophobicContact CD1-CB 4.15Å; F300-W461 HydrophobicContact CE2-CD2 4.36Å; F300-W461 HydrophobicContact CE2-CE3 4.25Å; V302-W461 HydrophobicContact CG1-CE3 4.37Å; V302-W461 HydrophobicContact CG1-CZ3 4.5Å; I309-W461 HydrophobicContact CD1-CH2 4.02Å; I309-W461 HydrophobicContact CD1-CZ2 4.22Å; R325-W461 PolarHBondContact O-NE1 3.02Å; T328-W461 HydrophobicContact CG2-CH2 3.83Å; T328-W461 HydrophobicContact CG2-CZ2 3.68Å; V457-W461 HydrophobicContact CG2-CG 4.45Å; G458-W461 WeakPolarHBondContact O-CB 3.24Å; G458-W461 PolarHBondContact O-N 2.83Å; Y459-W461 PolarHBondContact O-N 3.45Å; W461-T464 PolarHBondContact O-N 3.23Å; W461-L465 HydrophobicContact CD2-CD1 3.96Å; W461-L465 HydrophobicContact CD2-CG 4.22Å; W461-L465 HydrophobicContact CE3-CD1 4.36Å; W461-L465 HydrophobicContact CE3-CG 4.13Å; W461-L465 HydrophobicContact CH2-CD1 4.02Å; W461-L465 HydrophobicContact CH2-CD2 3.61Å; W461-L465 HydrophobicContact CH2-CG 3.96Å; W461-L465 HydrophobicContact CZ2-CD1 3.58Å; W461-L465 HydrophobicContact CZ2-CD2 4.02Å; W461-L465 HydrophobicContact CZ2-CG 4.05Å; W461-L465 HydrophobicContact CZ3-CD1 4.38Å; W461-L465 HydrophobicContact CZ3-CD2 3.89Å; W461-L465 HydrophobicContact CZ3-CG 4Å; W461-L465 WeakPolarHBondContact O-CG 3.45Å; W461-L465 PolarHBondContact O-N 2.91Å; W461-L465 VanDerWaalsContact O-N 3.08Å |
| 462 | I | 91.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | -179.2 | -64.3 | 175 | 0 | 0 | 0 | 110.8 | D455 Y459 T464 L465 K466 | D455-I462 HydrophobicContact CB-CD1 4.46Å; D455-I462 VanDerWaalsContact OD1-CD1 3.3Å; D455-I462 WeakPolarHBondContact OD1-CD1 3.17Å; Y459-I462 PolarHBondContact O-N 3.41Å; I462-T464 VanDerWaalsContact C-N 3.3Å; I462-T464 PolarHBondContact O-N 2.64Å; I462-L465 PolarHBondContact O-N 3.19Å; I462-K466 HydrophobicContact CG2-CD 4.25Å; I462-K466 WeakPolarHBondContact O-CG 3.38Å; I462-K466 PolarHBondContact O-N 3.24Å; I462-K466 VanDerWaalsContact O-N 3.13Å |
| 463 | D | 91.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 38.3 Ų | 38.3 | 40% | 0.396 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.2 | -40.7 | -178 | -65.4 | -21.8 | 0 | 0 | 0 | 111.1 | Y459 K466 E467 | Y459-D463 PolarHBondContact O-N 2.91Å; D463-K466 PolarHBondContact O-N 2.89Å; D463-E467 PolarHBondContact O-N 3.04Å |
| 464 | T | 94.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 38.8 Ų | 38.8 | 20% | 0.202 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.9 | -38.4 | 178.3 | -49.5 | 0 | 0 | 0 | 0 | 112.3 | V302 L306 S460 W461 I462 K466 E467 V468 | V302-T464 HydrophobicContact CG1-CG2 3.51Å; L306-T464 HydrophobicContact CD1-CG2 4.37Å; S460-T464 VanDerWaalsContact O-CB 3.28Å; S460-T464 WeakPolarHBondContact O-CB 3.42Å; S460-T464 PolarHBondContact O-N 2.84Å; S460-T464 PolarHBondContact O-OG1 2.73Å; W461-T464 PolarHBondContact O-N 3.23Å; I462-T464 VanDerWaalsContact C-N 3.3Å; I462-T464 PolarHBondContact O-N 2.64Å; T464-K466 VanDerWaalsContact C-N 3.3Å; T464-K466 PolarHBondContact O-N 3.34Å; T464-E467 PolarHBondContact O-N 3.45Å; T464-V468 HydrophobicContact CG2-CG2 3.96Å; T464-V468 WeakPolarHBondContact O-CB 3.5Å; T464-V468 WeakPolarHBondContact O-CG2 3.41Å; T464-V468 PolarHBondContact O-N 3.34Å |
| 465 | L | 95.4 | Very high | 94 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | 174.8 | -75.6 | 173.6 | 0 | 0 | 0 | 111.7 | L306 I309 R325 W461 I462 A469 | L306-L465 HydrophobicContact CD2-CD2 3.83Å; I309-L465 HydrophobicContact CD1-CD2 4.03Å; I309-L465 HydrophobicContact CG1-CD2 4.38Å; R325-L465 HydrophobicContact CG-CD1 3.69Å; W461-L465 HydrophobicContact CD2-CD1 3.96Å; W461-L465 HydrophobicContact CD2-CG 4.22Å; W461-L465 HydrophobicContact CE3-CD1 4.36Å; W461-L465 HydrophobicContact CE3-CG 4.13Å; W461-L465 HydrophobicContact CH2-CD1 4.02Å; W461-L465 HydrophobicContact CH2-CD2 3.61Å; W461-L465 HydrophobicContact CH2-CG 3.96Å; W461-L465 HydrophobicContact CZ2-CD1 3.58Å; W461-L465 HydrophobicContact CZ2-CD2 4.02Å; W461-L465 HydrophobicContact CZ2-CG 4.05Å; W461-L465 HydrophobicContact CZ3-CD1 4.38Å; W461-L465 HydrophobicContact CZ3-CD2 3.89Å; W461-L465 HydrophobicContact CZ3-CG 4Å; W461-L465 WeakPolarHBondContact O-CG 3.45Å; W461-L465 PolarHBondContact O-N 2.91Å; W461-L465 VanDerWaalsContact O-N 3.08Å; I462-L465 PolarHBondContact O-N 3.19Å; L465-A469 WeakPolarHBondContact O-CB 3.49Å; L465-A469 PolarHBondContact O-N 3.22Å |
| 466 | K | 93.6 | Very high | 94.5 | Very high | 69 Ų | 69 | 51 Ų | 51 | 30% | 0.3 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.8 | -70.2 | 175.5 | 176.5 | 178.2 | 0 | 111.4 | I462 D463 T464 A470 D540 | I462-K466 HydrophobicContact CG2-CD 4.25Å; I462-K466 WeakPolarHBondContact O-CG 3.38Å; I462-K466 PolarHBondContact O-N 3.24Å; I462-K466 VanDerWaalsContact O-N 3.13Å; D463-K466 PolarHBondContact O-N 2.89Å; T464-K466 VanDerWaalsContact C-N 3.3Å; T464-K466 PolarHBondContact O-N 3.34Å; K466-A470 WeakPolarHBondContact O-CB 3.32Å; K466-A470 PolarHBondContact O-N 3.45Å; K466-D540 IonicContact NZ-OD1 2.82Å; K466-D540 IonicContact NZ-OD2 3.44Å; K466-D540 PolarHBondContact NZ-OD2 2.97Å |
| 467 | E | 95.8 | Very high | 94.9 | Very high | 112 Ų | 112 | 53.6 Ų | 53.6 | 52% | 0.523 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 178.4 | -174.8 | -177.5 | 173.7 | 0 | 0 | 112.3 | D463 T464 A469 A470 Q471 | D463-E467 PolarHBondContact O-N 3.04Å; T464-E467 PolarHBondContact O-N 3.45Å; E467-A469 VanDerWaalsContact C-N 3.34Å; E467-A469 PolarHBondContact O-N 2.7Å; E467-A470 WeakPolarHBondContact O-CA 3.23Å; E467-A470 WeakPolarHBondContact O-CB 3.39Å; E467-A470 PolarHBondContact O-N 2.8Å; E467-A470 VanDerWaalsContact O-N 3.08Å; E467-Q471 WeakPolarHBondContact O-CG 3.45Å; E467-Q471 PolarHBondContact O-N 3.36Å; E467-Q471 VanDerWaalsContact O-N 3.12Å; E467-Q471 PolarHBondContact OE1-NE2 2.87Å |
| 468 | V | 96.5 | Very high | 95.1 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | -179.8 | 169.3 | 0 | 0 | 0 | 0 | 111 | L306 T464 A470 Q471 Q472 | L306-V468 HydrophobicContact CD1-CG2 3.96Å; L306-V468 HydrophobicContact CD2-CB 4.28Å; L306-V468 HydrophobicContact CD2-CG1 4.22Å; L306-V468 HydrophobicContact CD2-CG2 4.08Å; T464-V468 HydrophobicContact CG2-CG2 3.96Å; T464-V468 WeakPolarHBondContact O-CB 3.5Å; T464-V468 WeakPolarHBondContact O-CG2 3.41Å; T464-V468 PolarHBondContact O-N 3.34Å; V468-A470 VanDerWaalsContact C-N 3.3Å; V468-A470 PolarHBondContact O-N 3.02Å; V468-Q471 PolarHBondContact O-N 2.84Å; V468-Q472 PolarHBondContact O-N 3.15Å |
| 469 | A | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L465 E467 Q471 Q472 V473 K493 E494 L497 | L465-A469 WeakPolarHBondContact O-CB 3.49Å; L465-A469 PolarHBondContact O-N 3.22Å; E467-A469 VanDerWaalsContact C-N 3.34Å; E467-A469 PolarHBondContact O-N 2.7Å; A469-Q471 VanDerWaalsContact C-N 3.25Å; A469-Q471 PolarHBondContact O-N 2.95Å; A469-Q472 PolarHBondContact O-N 2.88Å; A469-V473 PolarHBondContact O-N 3.31Å; A469-K493 HydrophobicContact CB-CB 4.36Å; A469-E494 HydrophobicContact CB-CB 3.96Å; A469-L497 HydrophobicContact CB-CD2 4.13Å |
| 470 | A | 96.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 63 Ų | 63 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.6 | -28.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K466 E467 V468 K493 | K466-A470 WeakPolarHBondContact O-CB 3.32Å; K466-A470 PolarHBondContact O-N 3.45Å; E467-A470 WeakPolarHBondContact O-CA 3.23Å; E467-A470 WeakPolarHBondContact O-CB 3.39Å; E467-A470 PolarHBondContact O-N 2.8Å; E467-A470 VanDerWaalsContact O-N 3.08Å; V468-A470 VanDerWaalsContact C-N 3.3Å; V468-A470 PolarHBondContact O-N 3.02Å; A470-K493 HydrophobicContact CB-CD 4.21Å |
| 471 | Q | 97.4 | Very high | 96.2 | Very high | 141 Ų | 141 | 60.1 Ų | 60.1 | 66% | 0.659 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -79.8 | -28.8 | 175.8 | -65.7 | 173.9 | 12 | 0 | 0 | 113 | E467 V468 A469 | E467-Q471 WeakPolarHBondContact O-CG 3.45Å; E467-Q471 PolarHBondContact O-N 3.36Å; E467-Q471 VanDerWaalsContact O-N 3.12Å; E467-Q471 PolarHBondContact OE1-NE2 2.87Å; V468-Q471 PolarHBondContact O-N 2.84Å; A469-Q471 VanDerWaalsContact C-N 3.25Å; A469-Q471 PolarHBondContact O-N 2.95Å |
| 472 | Q | 97.2 | Very high | 96.3 | Very high | 115 Ų | 115 | 67.8 Ų | 67.8 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -93.6 | -30.4 | -176.1 | -69 | -176.2 | 64.8 | 0 | 0 | 113.7 | V468 A469 | V468-Q472 PolarHBondContact O-N 3.15Å; A469-Q472 PolarHBondContact O-N 2.88Å |
| 473 | V | 98 | Very high | 96.6 | Very high | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.012 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -106.8 | 119 | -178.7 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | A469 Q477 K493 Y496 L497 | A469-V473 PolarHBondContact O-N 3.31Å; V473-Q477 HydrophobicContact CG1-CB 3.93Å; V473-K493 HydrophobicContact CB-CB 3.96Å; V473-K493 HydrophobicContact CB-CD 4.31Å; V473-K493 HydrophobicContact CB-CG 4.07Å; V473-K493 HydrophobicContact CG1-CB 4.29Å; V473-K493 HydrophobicContact CG1-CG 4.08Å; V473-K493 WeakPolarHBondContact O-CD 3.39Å; V473-K493 WeakPolarHBondContact O-CE 3.25Å; V473-K493 PolarHBondContact O-NZ 2.79Å; V473-Y496 HydrophobicContact CB-CD1 4.43Å; V473-Y496 HydrophobicContact CG1-CD1 3.71Å; V473-Y496 HydrophobicContact CG1-CD2 4.34Å; V473-Y496 HydrophobicContact CG1-CE1 4.26Å; V473-Y496 HydrophobicContact CG1-CG 3.77Å; V473-Y496 HydrophobicContact CG2-CD1 3.78Å; V473-Y496 HydrophobicContact CG2-CG 4.37Å; V473-L497 HydrophobicContact CG2-CB 4.07Å |
| 474 | S | 97.7 | Very high | 96.9 | Very high | 50 Ų | 50 | 75.9 Ų | 75.9 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | trans | -72.4 | 157.1 | 175 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | Q476 Q477 L478 | S474-Q476 PolarHBondContact O-N 3.39Å; S474-Q477 WeakPolarHBondContact O-CB 3.39Å; S474-Q477 PolarHBondContact O-N 2.86Å; S474-Q477 WeakPolarHBondContact OG-CB 3.49Å; S474-Q477 VanDerWaalsContact OG-CG 3.3Å; S474-Q477 WeakPolarHBondContact OG-CG 3.32Å; S474-Q477 PolarHBondContact OG-N 2.94Å; S474-Q477 PolarHBondContact OG-OE1 3.05Å; S474-L478 PolarHBondContact O-N 2.87Å | ||
| 475 | D | 97.8 | Very high | 97 | Very high | 119 Ų | 119 | 74.3 Ų | 74.3 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.4 | -35 | 174.8 | -62.6 | -15.3 | 0 | 0 | 0 | 111.3 | L478 E479 K493 | D475-L478 PolarHBondContact O-N 3.04Å; D475-E479 WeakPolarHBondContact O-CB 3.5Å; D475-E479 PolarHBondContact O-N 3.43Å; D475-K493 WeakPolarHBondContact OD1-CE 3.28Å; D475-K493 IonicContact OD1-NZ 3.47Å; D475-K493 PolarHBondContact OD1-NZ 2.73Å |
| 476 | Q | 97.9 | Very high | 96.9 | Very high | 142 Ų | 142 | 79 Ų | 79 | 66% | 0.664 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.1 | -40.6 | 176.1 | -174 | -179.7 | 21.4 | 0 | 0 | 112.5 | S474 L478 E479 T480 | S474-Q476 PolarHBondContact O-N 3.39Å; Q476-L478 VanDerWaalsContact C-N 3.33Å; Q476-E479 PolarHBondContact O-N 2.79Å; Q476-T480 PolarHBondContact O-N 3.2Å; Q476-T480 VanDerWaalsContact O-N 3.08Å; Q476-T480 PolarHBondContact O-OG1 2.8Å |
| 477 | Q | 98.3 | Very high | 97 | Very high | 54 Ų | 54 | 79.9 Ų | 79.9 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 174.8 | -82.4 | 167.4 | -69 | 0 | 0 | 111 | V473 S474 T480 A481 Y496 | V473-Q477 HydrophobicContact CG1-CB 3.93Å; S474-Q477 WeakPolarHBondContact O-CB 3.39Å; S474-Q477 PolarHBondContact O-N 2.86Å; S474-Q477 WeakPolarHBondContact OG-CB 3.49Å; S474-Q477 VanDerWaalsContact OG-CG 3.3Å; S474-Q477 WeakPolarHBondContact OG-CG 3.32Å; S474-Q477 PolarHBondContact OG-N 2.94Å; S474-Q477 PolarHBondContact OG-OE1 3.05Å; Q477-T480 PolarHBondContact O-N 2.97Å; Q477-T480 PolarHBondContact O-OG1 2.83Å; Q477-A481 PolarHBondContact O-N 2.6Å; Q477-Y496 HydrophobicContact CB-CE1 4.28Å; Q477-Y496 HydrophobicContact CB-CE2 4.01Å; Q477-Y496 VanDerWaalsContact O-CE2 3.25Å; Q477-Y496 WeakPolarHBondContact O-CE2 3.42Å |
| 478 | L | 97.6 | Very high | 96.9 | Very high | 47 Ų | 47 | 76.8 Ų | 76.8 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 178.3 | -174.2 | 61.3 | 0 | 0 | 0 | 112 | S474 D475 Q476 T480 A481 K493 | S474-L478 PolarHBondContact O-N 2.87Å; D475-L478 PolarHBondContact O-N 3.04Å; Q476-L478 VanDerWaalsContact C-N 3.33Å; L478-T480 PolarHBondContact O-N 3.1Å; L478-A481 WeakPolarHBondContact O-CB 3.41Å; L478-A481 PolarHBondContact O-N 2.75Å; L478-A481 VanDerWaalsContact O-N 3.14Å; L478-K493 HydrophobicContact CD2-CG 4.08Å |
| 479 | E | 97.5 | Very high | 96.8 | Very high | 157 Ų | 157 | 78 Ų | 78 | 73% | 0.734 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.6 | -36.7 | 177.2 | -175.2 | -177.3 | -178.1 | 0 | 0 | 112.2 | D475 Q476 | D475-E479 WeakPolarHBondContact O-CB 3.5Å; D475-E479 PolarHBondContact O-N 3.43Å; Q476-E479 PolarHBondContact O-N 2.79Å |
| 480 | T | 97.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 78.5 Ų | 78.5 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.5 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | Q476 Q477 L478 R482 F483 | Q476-T480 PolarHBondContact O-N 3.2Å; Q476-T480 VanDerWaalsContact O-N 3.08Å; Q476-T480 PolarHBondContact O-OG1 2.8Å; Q477-T480 PolarHBondContact O-N 2.97Å; Q477-T480 PolarHBondContact O-OG1 2.83Å; L478-T480 PolarHBondContact O-N 3.1Å; T480-R482 PolarHBondContact O-N 3.07Å; T480-F483 WeakPolarHBondContact O-CD2 3.39Å; T480-F483 PolarHBondContact O-N 2.73Å |
| 481 | A | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.008 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -53.5 | -36.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q477 L478 F483 R484 F485 T489 P490 Y496 | Q477-A481 PolarHBondContact O-N 2.6Å; L478-A481 WeakPolarHBondContact O-CB 3.41Å; L478-A481 PolarHBondContact O-N 2.75Å; L478-A481 VanDerWaalsContact O-N 3.14Å; A481-F483 PolarHBondContact O-N 3.36Å; A481-F483 VanDerWaalsContact O-N 3.14Å; A481-R484 PolarHBondContact O-N 3.1Å; A481-R484 VanDerWaalsContact O-N 3.09Å; A481-F485 PolarHBondContact O-N 3.46Å; A481-T489 HydrophobicContact CB-CG2 3.93Å; A481-P490 HydrophobicContact CB-CG 4.06Å; A481-Y496 HydrophobicContact CB-CD2 3.91Å; A481-Y496 HydrophobicContact CB-CE2 3.97Å |
| 482 | R | 96.7 | Very high | 96.4 | Very high | 160 Ų | 160 | 76 Ų | 76 | 60% | 0.604 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.4 | -25.8 | 178.4 | 67.5 | -178 | 177.9 | 128.1 | -4 | 114.8 | T480 T489 | T480-R482 PolarHBondContact O-N 3.07Å; R482-T489 HydrophobicContact CB-CG2 3.99Å |
| 483 | F | 97.1 | Very high | 96.4 | Very high | 146 Ų | 146 | 72.5 Ų | 72.5 | 64% | 0.64 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -82.6 | -32.5 | 178.6 | -62.6 | -70.4 | 0 | 0 | 0 | 111.9 | T480 A481 | T480-F483 WeakPolarHBondContact O-CD2 3.39Å; T480-F483 PolarHBondContact O-N 2.73Å; A481-F483 PolarHBondContact O-N 3.36Å; A481-F483 VanDerWaalsContact O-N 3.14Å |
| 484 | R | 96.5 | Very high | 96.4 | Very high | 99 Ų | 99 | 72.7 Ų | 72.7 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -81.9 | -44.8 | 176.9 | -172.8 | -178.2 | 174.8 | 177 | 0.8 | 111.2 | A481 P486 Y496 E500 | A481-R484 PolarHBondContact O-N 3.1Å; A481-R484 VanDerWaalsContact O-N 3.09Å; R484-P486 WeakPolarHBondContact O-CD 3.42Å; R484-Y496 WeakPolarHBondContact CD-OH 3.29Å; R484-Y496 PolarHBondContact NH1-OH 2.92Å; R484-E500 IonicContact CZ-OE1 3.22Å; R484-E500 VanDerWaalsContact CZ-OE1 3.22Å; R484-E500 IonicContact NH1-OE1 3.66Å; R484-E500 PolarHBondContact NH1-OE1 3.22Å; R484-E500 IonicContact NH2-OE1 2.71Å; R484-E500 PolarHBondContact NH2-OE1 2.98Å |
| 485 | F | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -122.8 | 77.8 | -174.2 | -49.1 | -54 | 0 | 0 | 0 | 110.2 | A481 Y487 T489 P490 Y496 R499 E500 E503 | A481-F485 PolarHBondContact O-N 3.46Å; F485-Y487 VanDerWaalsContact C-N 3.29Å; F485-Y487 PolarHBondContact O-N 2.91Å; F485-T489 WeakPolarHBondContact O-CA 3.46Å; F485-T489 WeakPolarHBondContact O-CB 3.35Å; F485-T489 PolarHBondContact O-OG1 2.81Å; F485-P490 HydrophobicContact CD2-CG 3.64Å; F485-P490 HydrophobicContact CE2-CG 4.21Å; F485-Y496 HydrophobicContact CD2-CD2 4.24Å; F485-Y496 HydrophobicContact CD2-CE2 4.14Å; F485-Y496 HydrophobicContact CE2-CD1 4.26Å; F485-Y496 AromaticContact CE2-CD2 3.78Å; F485-Y496 HydrophobicContact CE2-CD2 3.78Å; F485-Y496 HydrophobicContact CE2-CE1 4.08Å; F485-Y496 AromaticContact CE2-CE2 3.6Å; F485-Y496 HydrophobicContact CE2-CE2 3.6Å; F485-Y496 HydrophobicContact CE2-CG 4.1Å; F485-Y496 AromaticContact CE2-CZ 3.76Å; F485-R499 HydrophobicContact CB-CG 4.33Å; F485-R499 HydrophobicContact CD1-CG 3.57Å; F485-R499 HydrophobicContact CD2-CB 4.5Å; F485-R499 HydrophobicContact CD2-CG 3.86Å; F485-R499 HydrophobicContact CE1-CG 3.63Å; F485-R499 HydrophobicContact CE2-CB 4.25Å; F485-R499 HydrophobicContact CE2-CG 3.9Å; F485-R499 HydrophobicContact CG-CG 3.66Å; F485-R499 HydrophobicContact CZ-CB 4.27Å; F485-R499 HydrophobicContact CZ-CG 3.77Å; F485-E500 HydrophobicContact CZ-CB 4.37Å; F485-E503 VanDerWaalsContact CD1-OE1 3.32Å; F485-E503 WeakPolarHBondContact CD1-OE1 3.08Å; F485-E503 HydrophobicContact CE1-CG 4.42Å; F485-E503 VanDerWaalsContact CE1-OE2 3.23Å; F485-E503 WeakPolarHBondContact CE1-OE2 3.21Å | ||
| 486 | P | 94.5 | Very high | 96.3 | Very high | 105 Ų | 105 | 65.8 Ų | 65.8 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | trans | -70.2 | -24 | -178 | 27.3 | -35.1 | 0 | 0 | 0 | 113.5 | R484 | R484-P486 WeakPolarHBondContact O-CD 3.42Š| ||
| 487 | Y | 94.7 | Very high | 96.3 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -98 | 128 | 174.9 | -177.7 | -92.2 | 0 | 0 | 0 | 110.5 | Y319 F485 T489 R499 A512 E513 | Y319-Y487 WeakPolarHBondContact OH-CE1 3.44Å; F485-Y487 VanDerWaalsContact C-N 3.29Å; F485-Y487 PolarHBondContact O-N 2.91Å; Y487-T489 PolarHBondContact O-N 3.41Å; Y487-R499 PolarHBondContact O-NH1 3.01Å; Y487-A512 HydrophobicContact CD1-CB 4.39Å; Y487-A512 WeakPolarHBondContact CE1-O 3.49Å; Y487-E513 HydrophobicContact CD2-CG 4.3Å; Y487-E513 HydrophobicContact CE2-CG 4.21Å; Y487-E513 PolarHBondContact OH-O 2.83Å |
| 488 | N | 94 | Very high | 96.3 | Very high | 47 Ų | 47 | 57.5 Ų | 57.5 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 46.5 | 57.6 | -174.2 | -67.3 | -13.9 | 0 | 0 | 0 | 112 | Y319 V515 P516 G517 | Y319-N488 HydrophobicContact CE2-CB 3.97Å; Y319-N488 WeakPolarHBondContact OH-CB 3.48Å; Y319-N488 PolarHBondContact OH-ND2 2.89Å; N488-V515 PolarHBondContact ND2-O 2.79Å; N488-P516 PolarHBondContact ND2-O 2.9Å; N488-G517 WeakPolarHBondContact ND2-CA 3.38Å; N488-G517 PolarHBondContact ND2-N 3.32Å |
| 489 | T | 95.7 | Very high | 96.3 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | trans | -55.1 | 124.7 | -177.7 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | A481 R482 F485 Y487 T491 | A481-T489 HydrophobicContact CB-CG2 3.93Å; R482-T489 HydrophobicContact CB-CG2 3.99Å; F485-T489 WeakPolarHBondContact O-CA 3.46Å; F485-T489 WeakPolarHBondContact O-CB 3.35Å; F485-T489 PolarHBondContact O-OG1 2.81Å; Y487-T489 PolarHBondContact O-N 3.41Å; T489-T491 PolarHBondContact O-N 2.85Å | ||
| 490 | P | 95.5 | Very high | 96.3 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.071 | 25% | 0.251 | C | S | . | . | trans | -66.6 | 133.6 | -179.3 | 26 | -33 | 0 | 0 | 0 | 111.1 | A481 F485 A495 Y496 | A481-P490 HydrophobicContact CB-CG 4.06Å; F485-P490 HydrophobicContact CD2-CG 3.64Å; F485-P490 HydrophobicContact CE2-CG 4.21Å; P490-A495 HydrophobicContact CB-CB 3.64Å; P490-Y496 HydrophobicContact CG-CD2 3.98Å; P490-Y496 HydrophobicContact CG-CG 4.37Å | ||
| 491 | T | 92.9 | Very high | 96.4 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 59% | 0.589 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -99.3 | -9.1 | -179.8 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | T489 D539 | T489-T491 PolarHBondContact O-N 2.85Å; T491-D539 WeakPolarHBondContact CB-OD2 3.37Å; T491-D539 PolarHBondContact OG1-OD2 2.87Å |
| 492 | S | 94.1 | Very high | 96.4 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -129.9 | 158.3 | 177 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | E494 A495 Y496 | S492-E494 VanDerWaalsContact C-N 3.28Å; S492-E494 PolarHBondContact O-N 2.93Å; S492-A495 PolarHBondContact O-N 2.89Å; S492-A495 WeakPolarHBondContact OG-CB 3.12Å; S492-A495 PolarHBondContact OG-N 2.86Å; S492-A495 VanDerWaalsContact OG-N 3.16Å; S492-Y496 PolarHBondContact O-N 2.76Å |
| 493 | K | 97.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -35.3 | 176.3 | -68.3 | -172.1 | 175.5 | -167 | 0 | 112.8 | A469 A470 V473 D475 L478 Y496 L497 | A469-K493 HydrophobicContact CB-CB 4.36Å; A470-K493 HydrophobicContact CB-CD 4.21Å; V473-K493 HydrophobicContact CB-CB 3.96Å; V473-K493 HydrophobicContact CB-CD 4.31Å; V473-K493 HydrophobicContact CB-CG 4.07Å; V473-K493 HydrophobicContact CG1-CB 4.29Å; V473-K493 HydrophobicContact CG1-CG 4.08Å; V473-K493 WeakPolarHBondContact O-CD 3.39Å; V473-K493 WeakPolarHBondContact O-CE 3.25Å; V473-K493 PolarHBondContact O-NZ 2.79Å; D475-K493 WeakPolarHBondContact OD1-CE 3.28Å; D475-K493 IonicContact OD1-NZ 3.47Å; D475-K493 PolarHBondContact OD1-NZ 2.73Å; L478-K493 HydrophobicContact CD2-CG 4.08Å; K493-Y496 PolarHBondContact O-N 3.16Å; K493-L497 PolarHBondContact O-N 3.4Å |
| 494 | E | 96.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.3 | -48.4 | 174.8 | -176.1 | -178.8 | 174.3 | 0 | 0 | 111.3 | V321 R325 A469 S492 Y496 L497 Y498 | V321-E494 HydrophobicContact CG1-CG 4.39Å; R325-E494 IonicContact CZ-OE1 3.76Å; R325-E494 IonicContact CZ-OE2 3.68Å; R325-E494 IonicContact NE-OE1 3.26Å; R325-E494 PolarHBondContact NE-OE1 3.25Å; R325-E494 IonicContact NE-OE2 2.72Å; R325-E494 PolarHBondContact NE-OE2 3.45Å; R325-E494 IonicContact NH2-OE1 3.19Å; R325-E494 IonicContact NH2-OE2 2.62Å; R325-E494 PolarHBondContact NH2-OE2 3.18Å; A469-E494 HydrophobicContact CB-CB 3.96Å; S492-E494 VanDerWaalsContact C-N 3.28Å; S492-E494 PolarHBondContact O-N 2.93Å; E494-Y496 VanDerWaalsContact C-N 3.26Å; E494-Y496 PolarHBondContact O-N 3.09Å; E494-L497 PolarHBondContact O-N 3.22Å; E494-Y498 HydrophobicContact CG-CD2 4.13Å; E494-Y498 HydrophobicContact CG-CE1 4.29Å; E494-Y498 HydrophobicContact CG-CE2 3.45Å; E494-Y498 VanDerWaalsContact CG-CE2 3.45Å; E494-Y498 PolarHBondContact O-N 2.92Å; E494-Y498 WeakPolarHBondContact OE1-CE2 3.46Å; E494-Y498 PolarHBondContact OE1-OH 2.74Å |
| 495 | A | 96.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V321 P490 S492 R499 | V321-A495 HydrophobicContact CG2-CB 3.72Å; P490-A495 HydrophobicContact CB-CB 3.64Å; S492-A495 PolarHBondContact O-N 2.89Å; S492-A495 WeakPolarHBondContact OG-CB 3.12Å; S492-A495 PolarHBondContact OG-N 2.86Å; S492-A495 VanDerWaalsContact OG-N 3.16Å; A495-R499 VanDerWaalsContact O-CB 3.25Å; A495-R499 WeakPolarHBondContact O-CB 3.37Å; A495-R499 PolarHBondContact O-N 2.95Å |
| 496 | Y | 98 | Very high | 96.6 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -48.5 | 175.7 | -171.9 | -72.2 | 0 | 0 | 0 | 111.5 | V473 Q477 A481 R484 F485 P490 S492 K493 E494 Y498 R499 E500 | V473-Y496 HydrophobicContact CB-CD1 4.43Å; V473-Y496 HydrophobicContact CG1-CD1 3.71Å; V473-Y496 HydrophobicContact CG1-CD2 4.34Å; V473-Y496 HydrophobicContact CG1-CE1 4.26Å; V473-Y496 HydrophobicContact CG1-CG 3.77Å; V473-Y496 HydrophobicContact CG2-CD1 3.78Å; V473-Y496 HydrophobicContact CG2-CG 4.37Å; Q477-Y496 HydrophobicContact CB-CE1 4.28Å; Q477-Y496 HydrophobicContact CB-CE2 4.01Å; Q477-Y496 VanDerWaalsContact O-CE2 3.25Å; Q477-Y496 WeakPolarHBondContact O-CE2 3.42Å; A481-Y496 HydrophobicContact CB-CD2 3.91Å; A481-Y496 HydrophobicContact CB-CE2 3.97Å; R484-Y496 WeakPolarHBondContact CD-OH 3.29Å; R484-Y496 PolarHBondContact NH1-OH 2.92Å; F485-Y496 HydrophobicContact CD2-CD2 4.24Å; F485-Y496 HydrophobicContact CD2-CE2 4.14Å; F485-Y496 HydrophobicContact CE2-CD1 4.26Å; F485-Y496 AromaticContact CE2-CD2 3.78Å; F485-Y496 HydrophobicContact CE2-CD2 3.78Å; F485-Y496 HydrophobicContact CE2-CE1 4.08Å; F485-Y496 AromaticContact CE2-CE2 3.6Å; F485-Y496 HydrophobicContact CE2-CE2 3.6Å; F485-Y496 HydrophobicContact CE2-CG 4.1Å; F485-Y496 AromaticContact CE2-CZ 3.76Å; P490-Y496 HydrophobicContact CG-CD2 3.98Å; P490-Y496 HydrophobicContact CG-CG 4.37Å; S492-Y496 PolarHBondContact O-N 2.76Å; K493-Y496 PolarHBondContact O-N 3.16Å; E494-Y496 VanDerWaalsContact C-N 3.26Å; E494-Y496 PolarHBondContact O-N 3.09Å; Y496-Y498 PolarHBondContact O-N 3.5Å; Y496-R499 PolarHBondContact O-N 3.19Å; Y496-E500 WeakPolarHBondContact O-CB 3.29Å; Y496-E500 PolarHBondContact O-N 2.96Å |
| 497 | L | 98.3 | Very high | 96.7 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 180 | 179.7 | 61.4 | 0 | 0 | 0 | 111.4 | A469 V473 K493 E494 R499 E500 I501 | A469-L497 HydrophobicContact CB-CD2 4.13Å; V473-L497 HydrophobicContact CG2-CB 4.07Å; K493-L497 PolarHBondContact O-N 3.4Å; E494-L497 PolarHBondContact O-N 3.22Å; L497-R499 VanDerWaalsContact C-N 3.33Å; L497-R499 PolarHBondContact O-N 2.84Å; L497-E500 PolarHBondContact O-N 3.31Å; L497-I501 HydrophobicContact CD1-CD1 4.34Å; L497-I501 HydrophobicContact CG-CD1 4.21Å; L497-I501 WeakPolarHBondContact O-CG1 3.48Å; L497-I501 PolarHBondContact O-N 3.48Å |
| 498 | Y | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -38.5 | 176.6 | -62.7 | -20.5 | 0 | 0 | 0 | 112.4 | I309 I313 V321 I324 E494 Y496 I501 F502 | I309-Y498 HydrophobicContact CD1-CE1 4.45Å; I309-Y498 HydrophobicContact CG2-CD1 4.06Å; I309-Y498 HydrophobicContact CG2-CE1 3.77Å; I313-Y498 HydrophobicContact CD1-CD1 3.96Å; I313-Y498 HydrophobicContact CD1-CG 4.27Å; V321-Y498 HydrophobicContact CB-CD2 4.48Å; V321-Y498 HydrophobicContact CB-CE2 4.4Å; V321-Y498 HydrophobicContact CG1-CE2 4.31Å; V321-Y498 HydrophobicContact CG2-CD2 3.98Å; V321-Y498 HydrophobicContact CG2-CE2 4.23Å; I324-Y498 HydrophobicContact CB-CD2 4.21Å; I324-Y498 HydrophobicContact CB-CE2 3.97Å; I324-Y498 HydrophobicContact CD1-CD1 4.18Å; I324-Y498 HydrophobicContact CD1-CD2 3.35Å; I324-Y498 HydrophobicContact CD1-CE2 4.01Å; I324-Y498 HydrophobicContact CD1-CG 3.47Å; I324-Y498 VanDerWaalsContact CD1-CG 3.47Å; I324-Y498 HydrophobicContact CG1-CD2 4.38Å; I324-Y498 HydrophobicContact CG2-CD1 4.43Å; I324-Y498 HydrophobicContact CG2-CD2 4.25Å; I324-Y498 HydrophobicContact CG2-CE1 4.01Å; I324-Y498 HydrophobicContact CG2-CE2 3.8Å; E494-Y498 HydrophobicContact CG-CD2 4.13Å; E494-Y498 HydrophobicContact CG-CE1 4.29Å; E494-Y498 HydrophobicContact CG-CE2 3.45Å; E494-Y498 VanDerWaalsContact CG-CE2 3.45Å; E494-Y498 PolarHBondContact O-N 2.92Å; E494-Y498 WeakPolarHBondContact OE1-CE2 3.46Å; E494-Y498 PolarHBondContact OE1-OH 2.74Å; Y496-Y498 PolarHBondContact O-N 3.5Å; Y498-I501 PolarHBondContact O-N 2.9Å; Y498-F502 VanDerWaalsContact O-CB 3.32Å; Y498-F502 WeakPolarHBondContact O-CB 3.47Å; Y498-F502 PolarHBondContact O-N 2.97Å |
| 499 | R | 97.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.3 | -178.9 | 56 | -178.2 | -112.4 | -1.9 | 112.1 | Y319 F485 Y487 A495 Y496 L497 F502 E503 | Y319-R499 VanDerWaalsContact CE1-NH1 3.33Å; Y319-R499 PolarHBondContact OH-NH1 2.94Å; Y319-R499 VanDerWaalsContact OH-NH1 3.11Å; F485-R499 HydrophobicContact CB-CG 4.33Å; F485-R499 HydrophobicContact CD1-CG 3.57Å; F485-R499 HydrophobicContact CD2-CB 4.5Å; F485-R499 HydrophobicContact CD2-CG 3.86Å; F485-R499 HydrophobicContact CE1-CG 3.63Å; F485-R499 HydrophobicContact CE2-CB 4.25Å; F485-R499 HydrophobicContact CE2-CG 3.9Å; F485-R499 HydrophobicContact CG-CG 3.66Å; F485-R499 HydrophobicContact CZ-CB 4.27Å; F485-R499 HydrophobicContact CZ-CG 3.77Å; Y487-R499 PolarHBondContact O-NH1 3.01Å; A495-R499 VanDerWaalsContact O-CB 3.25Å; A495-R499 WeakPolarHBondContact O-CB 3.37Å; A495-R499 PolarHBondContact O-N 2.95Å; Y496-R499 PolarHBondContact O-N 3.19Å; L497-R499 VanDerWaalsContact C-N 3.33Å; L497-R499 PolarHBondContact O-N 2.84Å; R499-F502 PolarHBondContact O-N 2.99Å; R499-E503 IonicContact CZ-OE1 3.77Å; R499-E503 VanDerWaalsContact CZ-OE1 3.26Å; R499-E503 IonicContact NE-OE1 3.58Å; R499-E503 PolarHBondContact NE-OE1 2.85Å; R499-E503 IonicContact NH2-OE1 3.36Å; R499-E503 PolarHBondContact NH2-OE1 2.72Å; R499-E503 PolarHBondContact O-N 3.19Å |
| 500 | E | 98.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 174 | 172.1 | 160.5 | -115.5 | 0 | 0 | 111.7 | R484 F485 Y496 L497 F502 E503 E504 | R484-E500 IonicContact CZ-OE1 3.22Å; R484-E500 VanDerWaalsContact CZ-OE1 3.22Å; R484-E500 IonicContact NH1-OE1 3.66Å; R484-E500 PolarHBondContact NH1-OE1 3.22Å; R484-E500 IonicContact NH2-OE1 2.71Å; R484-E500 PolarHBondContact NH2-OE1 2.98Å; F485-E500 HydrophobicContact CZ-CB 4.37Å; Y496-E500 WeakPolarHBondContact O-CB 3.29Å; Y496-E500 PolarHBondContact O-N 2.96Å; L497-E500 PolarHBondContact O-N 3.31Å; E500-F502 VanDerWaalsContact C-N 3.29Å; E500-F502 PolarHBondContact O-N 2.83Å; E500-E503 PolarHBondContact O-N 3.34Å; E500-E504 WeakPolarHBondContact O-CG 3.05Å; E500-E504 PolarHBondContact O-N 2.99Å |
| 501 | I | 98.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 176.7 | -65.1 | 165.5 | 0 | 0 | 0 | 111 | I309 R310 I313 L497 Y498 E504 L505 | I309-I501 HydrophobicContact CG2-CD1 4.15Å; R310-I501 HydrophobicContact CB-CG2 4.37Å; R310-I501 HydrophobicContact CG-CG2 3.97Å; I313-I501 HydrophobicContact CB-CG2 4.24Å; I313-I501 HydrophobicContact CD1-CB 3.9Å; I313-I501 HydrophobicContact CD1-CD1 4.1Å; I313-I501 HydrophobicContact CD1-CG2 3.72Å; I313-I501 HydrophobicContact CG2-CG2 4.16Å; L497-I501 HydrophobicContact CD1-CD1 4.34Å; L497-I501 HydrophobicContact CG-CD1 4.21Å; L497-I501 WeakPolarHBondContact O-CG1 3.48Å; L497-I501 PolarHBondContact O-N 3.48Å; Y498-I501 PolarHBondContact O-N 2.9Å; I501-E504 PolarHBondContact O-N 3.04Å; I501-L505 HydrophobicContact CG2-CD1 3.76Å; I501-L505 HydrophobicContact CG2-CG 4.49Å; I501-L505 VanDerWaalsContact O-CG 3.3Å; I501-L505 WeakPolarHBondContact O-CG 3.45Å; I501-L505 PolarHBondContact O-N 3.35Å |
| 502 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 179.2 | 176.9 | -86.6 | 0 | 0 | 0 | 112.5 | M162 I313 Y319 Y498 R499 E500 E504 L505 F506 A511 A512 V515 | M162-F502 HydrophobicContact CE-CE2 3.99Å; M162-F502 HydrophobicContact CE-CZ 3.8Å; I313-F502 HydrophobicContact CG2-CB 4.11Å; I313-F502 HydrophobicContact CG2-CD2 4.3Å; Y319-F502 HydrophobicContact CD1-CB 4.15Å; Y319-F502 AromaticContact CD1-CD1 3.6Å; Y319-F502 HydrophobicContact CD1-CD1 3.6Å; Y319-F502 AromaticContact CD1-CD2 4Å; Y319-F502 HydrophobicContact CD1-CD2 4Å; Y319-F502 AromaticContact CD1-CE1 3.94Å; Y319-F502 HydrophobicContact CD1-CE1 3.94Å; Y319-F502 HydrophobicContact CD1-CE2 4.3Å; Y319-F502 AromaticContact CD1-CG 3.64Å; Y319-F502 HydrophobicContact CD1-CG 3.64Å; Y319-F502 HydrophobicContact CD1-CZ 4.27Å; Y319-F502 HydrophobicContact CE1-CD1 4.15Å; Y319-F502 HydrophobicContact CE1-CE1 4.11Å; Y319-F502 HydrophobicContact CE1-CZ 4.47Å; Y319-F502 HydrophobicContact CG-CG 4.43Å; Y498-F502 VanDerWaalsContact O-CB 3.32Å; Y498-F502 WeakPolarHBondContact O-CB 3.47Å; Y498-F502 PolarHBondContact O-N 2.97Å; R499-F502 PolarHBondContact O-N 2.99Å; E500-F502 VanDerWaalsContact C-N 3.29Å; E500-F502 PolarHBondContact O-N 2.83Å; F502-E504 VanDerWaalsContact C-N 3.27Å; F502-E504 PolarHBondContact O-N 3.36Å; F502-L505 PolarHBondContact O-N 2.96Å; F502-L505 VanDerWaalsContact O-N 3.1Å; F502-F506 HydrophobicContact CD1-CB 4.48Å; F502-F506 AromaticContact CD2-CD2 3.58Å; F502-F506 HydrophobicContact CD2-CD2 3.58Å; F502-F506 HydrophobicContact CD2-CE2 4.12Å; F502-F506 HydrophobicContact CD2-CG 4.49Å; F502-F506 HydrophobicContact CE1-CB 4.05Å; F502-F506 HydrophobicContact CE2-CB 4.34Å; F502-F506 AromaticContact CE2-CD2 3.53Å; F502-F506 HydrophobicContact CE2-CD2 3.53Å; F502-F506 HydrophobicContact CE2-CE2 4.12Å; F502-F506 HydrophobicContact CE2-CG 4.11Å; F502-F506 HydrophobicContact CG-CD2 4.13Å; F502-F506 HydrophobicContact CZ-CB 3.98Å; F502-F506 HydrophobicContact CZ-CD2 4.05Å; F502-F506 HydrophobicContact CZ-CG 4.21Å; F502-F506 PolarHBondContact O-N 2.82Å; F502-A511 HydrophobicContact CE1-CB 4.41Å; F502-A511 HydrophobicContact CZ-CB 4.23Å; F502-A511 WeakPolarHBondContact CZ-O 3.32Å; F502-A512 HydrophobicContact CE1-CB 4.1Å; F502-V515 HydrophobicContact CE2-CG2 3.97Å; F502-V515 HydrophobicContact CZ-CG2 3.91Å |
| 503 | E | 97.5 | Very high | 97.2 | Very high | 62 Ų | 62 | 35.3 Ų | 35.3 | 29% | 0.29 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.7 | -26.9 | -179.3 | -75.5 | -170.4 | -179.7 | 0 | 0 | 113.1 | F485 R499 E500 F506 P507 | F485-E503 VanDerWaalsContact CD1-OE1 3.32Å; F485-E503 WeakPolarHBondContact CD1-OE1 3.08Å; F485-E503 HydrophobicContact CE1-CG 4.42Å; F485-E503 VanDerWaalsContact CE1-OE2 3.23Å; F485-E503 WeakPolarHBondContact CE1-OE2 3.21Å; R499-E503 IonicContact CZ-OE1 3.77Å; R499-E503 VanDerWaalsContact CZ-OE1 3.26Å; R499-E503 IonicContact NE-OE1 3.58Å; R499-E503 PolarHBondContact NE-OE1 2.85Å; R499-E503 IonicContact NH2-OE1 3.36Å; R499-E503 PolarHBondContact NH2-OE1 2.72Å; R499-E503 PolarHBondContact O-N 3.19Å; E500-E503 PolarHBondContact O-N 3.34Å; E503-F506 CarbonylContact O-C 3.51Å; E503-P507 WeakPolarHBondContact O-CA 3.15Å |
| 504 | E | 97.7 | Very high | 97.1 | Very high | 110 Ų | 110 | 34.2 Ų | 34.2 | 51% | 0.514 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 169.7 | -71.2 | 179.3 | -175.8 | 0 | 0 | 112.5 | R310 E500 I501 F502 | R310-E504 IonicContact CZ-OE2 2.71Å; R310-E504 VanDerWaalsContact CZ-OE2 3.31Å; R310-E504 IonicContact NH1-OE2 3.43Å; R310-E504 PolarHBondContact NH1-OE2 3.31Å; R310-E504 IonicContact NH2-OE2 3.24Å; R310-E504 PolarHBondContact NH2-OE2 2.67Å; E500-E504 WeakPolarHBondContact O-CG 3.05Å; E500-E504 PolarHBondContact O-N 2.99Å; I501-E504 PolarHBondContact O-N 3.04Å; F502-E504 VanDerWaalsContact C-N 3.27Å; F502-E504 PolarHBondContact O-N 3.36Å |
| 505 | L | 98.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 34 Ų | 34 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -81.1 | -32.8 | -178.2 | -66.5 | 168.2 | 0 | 0 | 0 | 112.3 | R310 I313 Y314 I501 F502 | R310-L505 HydrophobicContact CG-CD1 4.32Å; I313-L505 HydrophobicContact CB-CD1 4.26Å; I313-L505 HydrophobicContact CG2-CD1 3.85Å; Y314-L505 HydrophobicContact CD2-CD2 4.25Å; I501-L505 HydrophobicContact CG2-CD1 3.76Å; I501-L505 HydrophobicContact CG2-CG 4.49Å; I501-L505 VanDerWaalsContact O-CG 3.3Å; I501-L505 WeakPolarHBondContact O-CG 3.45Å; I501-L505 PolarHBondContact O-N 3.35Å; F502-L505 PolarHBondContact O-N 2.96Å; F502-L505 VanDerWaalsContact O-N 3.1Å |
| 506 | F | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | trans | -129.9 | 72.5 | -174.9 | -55.8 | -77.9 | 0 | 0 | 0 | 110.6 | M162 K163 V166 Y314 E317 F502 E503 L508 A511 | M162-F506 HydrophobicContact CE-CB 4.23Å; M162-F506 HydrophobicContact CE-CD1 3.62Å; M162-F506 HydrophobicContact CE-CD2 4.35Å; M162-F506 HydrophobicContact CE-CE1 4.03Å; M162-F506 HydrophobicContact CE-CG 3.81Å; K163-F506 HydrophobicContact CB-CE1 3.94Å; V166-F506 HydrophobicContact CG2-CD1 3.81Å; Y314-F506 HydrophobicContact CD2-CZ 4.4Å; E317-F506 HydrophobicContact CB-CE1 4.47Å; E317-F506 HydrophobicContact CB-CE2 4.41Å; E317-F506 HydrophobicContact CB-CZ 4.02Å; E317-F506 HydrophobicContact CG-CE1 4.16Å; E317-F506 HydrophobicContact CG-CZ 3.74Å; F502-F506 HydrophobicContact CD1-CB 4.48Å; F502-F506 AromaticContact CD2-CD2 3.58Å; F502-F506 HydrophobicContact CD2-CD2 3.58Å; F502-F506 HydrophobicContact CD2-CE2 4.12Å; F502-F506 HydrophobicContact CD2-CG 4.49Å; F502-F506 HydrophobicContact CE1-CB 4.05Å; F502-F506 HydrophobicContact CE2-CB 4.34Å; F502-F506 AromaticContact CE2-CD2 3.53Å; F502-F506 HydrophobicContact CE2-CD2 3.53Å; F502-F506 HydrophobicContact CE2-CE2 4.12Å; F502-F506 HydrophobicContact CE2-CG 4.11Å; F502-F506 HydrophobicContact CG-CD2 4.13Å; F502-F506 HydrophobicContact CZ-CB 3.98Å; F502-F506 HydrophobicContact CZ-CD2 4.05Å; F502-F506 HydrophobicContact CZ-CG 4.21Å; F502-F506 PolarHBondContact O-N 2.82Å; E503-F506 CarbonylContact O-C 3.51Å; F506-L508 PolarHBondContact O-N 3.23Å; F506-A511 HydrophobicContact CB-CB 3.96Å | ||
| 507 | P | 95.7 | Very high | 96.2 | Very high | 92 Ų | 92 | 36 Ų | 36 | 60% | 0.597 | 21% | 0.205 | S | C | * | . | trans | -79 | 49.5 | -172.1 | 34.6 | -39.1 | 0 | 0 | 0 | 113.1 | E503 | E503-P507 WeakPolarHBondContact O-CA 3.15Š| ||
| 508 | L | 94.8 | Very high | 95.2 | Very high | 35 Ų | 35 | 38 Ų | 38 | 18% | 0.183 | 23% | 0.23 | C | C | . | . | trans | -129 | 127.5 | 174.4 | -71.7 | 175.4 | 0 | 0 | 0 | 109.3 | V166 I172 F506 S510 A511 | V166-L508 HydrophobicContact CB-CD1 4.26Å; V166-L508 HydrophobicContact CG1-CD1 4.09Å; V166-L508 HydrophobicContact CG1-CG 4.4Å; V166-L508 HydrophobicContact CG2-CD1 4.32Å; I172-L508 HydrophobicContact CD1-CD1 3.65Å; I172-L508 HydrophobicContact CG1-CD1 4.4Å; F506-L508 PolarHBondContact O-N 3.23Å; L508-S510 PolarHBondContact O-N 3.2Å; L508-A511 HydrophobicContact CB-CB 4.09Å; L508-A511 VanDerWaalsContact O-CB 3.23Å; L508-A511 WeakPolarHBondContact O-CB 3.24Å; L508-A511 PolarHBondContact O-N 2.99Å | ||
| 509 | P | 95.4 | Very high | 93.8 | Very high | 104 Ų | 104 | 41.5 Ų | 41.5 | 68% | 0.675 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -53.9 | -41.3 | 177 | -28.9 | 36 | 0 | 0 | 0 | 113.3 | A511 A512 E513 | P509-A511 PolarHBondContact O-N 3.45Å; P509-A512 WeakPolarHBondContact O-CB 3.48Å; P509-A512 PolarHBondContact O-N 2.84Å; P509-E513 PolarHBondContact O-N 2.85Å |
| 510 | S | 97.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 43 Ų | 43 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -21.9 | 178.3 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | I172 L508 A512 E513 C514 | I172-S510 PolarHBondContact N-OG 2.63Å; I172-S510 VanDerWaalsContact O-CB 3.32Å; I172-S510 WeakPolarHBondContact O-CB 3.44Å; I172-S510 PolarHBondContact O-OG 2.84Å; L508-S510 PolarHBondContact O-N 3.2Å; S510-A512 VanDerWaalsContact C-N 3.33Å; S510-E513 PolarHBondContact O-N 3.15Å; S510-C514 PolarHBondContact O-N 3.29Å; S510-C514 PolarHBondContact O-SG 3.23Å; S510-C514 VanDerWaalsContact O-SG 3.41Å |
| 511 | A | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | M162 F502 F506 L508 P509 E513 C514 | M162-A511 HydrophobicContact CE-CB 3.73Å; M162-A511 VanDerWaalsContact SD-CA 3.56Å; M162-A511 HydrophobicContact SD-CB 3.45Å; M162-A511 WeakPolarHBondContact SD-CB 3.36Å; F502-A511 HydrophobicContact CE1-CB 4.41Å; F502-A511 HydrophobicContact CZ-CB 4.23Å; F502-A511 WeakPolarHBondContact CZ-O 3.32Å; F506-A511 HydrophobicContact CB-CB 3.96Å; L508-A511 HydrophobicContact CB-CB 4.09Å; L508-A511 VanDerWaalsContact O-CB 3.23Å; L508-A511 WeakPolarHBondContact O-CB 3.24Å; L508-A511 PolarHBondContact O-N 2.99Å; P509-A511 PolarHBondContact O-N 3.45Å; A511-E513 VanDerWaalsContact C-N 3.27Å; A511-E513 PolarHBondContact O-N 3.33Å; A511-C514 WeakPolarHBondContact O-CB 3.22Å; A511-C514 PolarHBondContact O-N 2.87Å |
| 512 | A | 96.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.9 | -29.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y319 Y487 F502 P509 S510 C514 V515 | Y319-A512 HydrophobicContact CE1-CB 4.1Å; Y319-A512 PolarHBondContact OH-O 3.47Å; Y487-A512 HydrophobicContact CD1-CB 4.39Å; Y487-A512 WeakPolarHBondContact CE1-O 3.49Å; F502-A512 HydrophobicContact CE1-CB 4.1Å; P509-A512 WeakPolarHBondContact O-CB 3.48Å; P509-A512 PolarHBondContact O-N 2.84Å; S510-A512 VanDerWaalsContact C-N 3.33Å; A512-C514 VanDerWaalsContact C-N 3.25Å; A512-C514 PolarHBondContact O-N 3.29Å; A512-V515 WeakPolarHBondContact O-CB 3.29Å; A512-V515 PolarHBondContact O-N 2.88Å |
| 513 | E | 95.8 | Very high | 89.2 | Confident | 115 Ų | 115 | 40.9 Ų | 40.9 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.2 | -18 | 175.3 | -64.2 | 170.9 | -178.7 | 0 | 0 | 113.4 | Y487 P509 S510 A511 V515 | Y487-E513 HydrophobicContact CD2-CG 4.3Å; Y487-E513 HydrophobicContact CE2-CG 4.21Å; Y487-E513 PolarHBondContact OH-O 2.83Å; P509-E513 PolarHBondContact O-N 2.85Å; S510-E513 PolarHBondContact O-N 3.15Å; A511-E513 VanDerWaalsContact C-N 3.27Å; A511-E513 PolarHBondContact O-N 3.33Å; E513-V515 PolarHBondContact O-N 2.83Å |
| 514 | C | 96.1 | Very high | 88.1 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 12% | 0.122 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -10.5 | 170.8 | -64.2 | 0 | 0 | 0 | 0 | 113.3 | Y147 M162 S510 A511 A512 | Y147-C514 HydrophobicContact CE1-CB 4.27Å; M162-C514 HydrophobicContact SD-CB 4.34Å; S510-C514 PolarHBondContact O-N 3.29Å; S510-C514 PolarHBondContact O-SG 3.23Å; S510-C514 VanDerWaalsContact O-SG 3.41Å; A511-C514 WeakPolarHBondContact O-CB 3.22Å; A511-C514 PolarHBondContact O-N 2.87Å; A512-C514 VanDerWaalsContact C-N 3.25Å; A512-C514 PolarHBondContact O-N 3.29Å |
| 515 | V | 96 | Very high | 87.4 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -97.2 | 127.8 | -176.7 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | T318 Y319 N488 F502 A512 E513 | T318-V515 VanDerWaalsContact OG1-CG1 3.28Å; T318-V515 WeakPolarHBondContact OG1-CG1 3.47Å; Y319-V515 HydrophobicContact CD1-CB 3.99Å; Y319-V515 HydrophobicContact CD1-CG1 3.83Å; Y319-V515 HydrophobicContact CD1-CG2 3.77Å; Y319-V515 HydrophobicContact CD2-CG1 3.81Å; Y319-V515 HydrophobicContact CE1-CB 3.36Å; Y319-V515 HydrophobicContact CE1-CG1 3.53Å; Y319-V515 HydrophobicContact CE1-CG2 3.49Å; Y319-V515 VanDerWaalsContact CE1-CG2 3.49Å; Y319-V515 HydrophobicContact CE2-CB 4.15Å; Y319-V515 HydrophobicContact CE2-CG1 3.5Å; Y319-V515 VanDerWaalsContact CE2-CG1 3.5Å; Y319-V515 HydrophobicContact CG-CG1 3.95Å; Y319-V515 VanDerWaalsContact CZ-CB 3.42Å; N488-V515 PolarHBondContact ND2-O 2.79Å; F502-V515 HydrophobicContact CE2-CG2 3.97Å; F502-V515 HydrophobicContact CZ-CG2 3.91Å; A512-V515 WeakPolarHBondContact O-CB 3.29Å; A512-V515 PolarHBondContact O-N 2.88Å; E513-V515 PolarHBondContact O-N 2.83Å |
| 516 | P | 90.4 | Very high | 86.6 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | trans | -61 | 153.7 | 179.5 | 27.5 | -37.7 | 0 | 0 | 0 | 111.8 | M383 Y384 N488 | M383-P516 HydrophobicContact CB-CB 4.27Å; M383-P516 HydrophobicContact CB-CG 3.92Å; M383-P516 HydrophobicContact SD-CB 4.1Å; Y384-P516 HydrophobicContact CD1-CG 4.18Å; Y384-P516 HydrophobicContact CE1-CB 3.92Å; Y384-P516 HydrophobicContact CE1-CG 3.53Å; Y384-P516 HydrophobicContact CE2-CB 4.45Å; Y384-P516 WeakPolarHBondContact OH-CB 3.41Å; N488-P516 PolarHBondContact ND2-O 2.9Å | ||
| 517 | G | 83.9 | Confident | 85.9 | Confident | 43 Ų | 43 | 37.5 Ų | 37.5 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | trans | -147.2 | -173.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N488 | N488-G517 WeakPolarHBondContact ND2-CA 3.38Å; N488-G517 PolarHBondContact ND2-N 3.32Å | ||
| 518 | G | 77.5 | Confident | 85.2 | Confident | 61 Ų | 61 | 33.1 Ų | 33.1 | 63% | 0.629 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 105.3 | 169.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 519 | P | 69.2 | Low | 84.6 | Confident | 79 Ų | 79 | 32.2 Ų | 32.2 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | trans | -69.2 | 137.6 | -176.9 | 31 | -35.8 | 0 | 0 | 0 | 110.7 | A526 I529 | P519-A526 HydrophobicContact CG-CB 3.9Å; P519-I529 HydrophobicContact CB-CD1 3.61Å; P519-I529 HydrophobicContact CG-CD1 4Å; P519-I529 WeakPolarHBondContact O-CD1 3.48Å | ||
| 520 | S | 73.2 | Confident | 84.2 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 26% | 0.259 | 21% | 0.211 | S | C | . | . | trans | -146 | 131.3 | 179.9 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | S524 | S520-S524 PolarHBondContact OG-O 2.88Š| ||
| 521 | V | 70 | Confident | 83.7 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -127.5 | 126.1 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | C523 S524 I529 F535 M538 | V521-C523 PolarHBondContact O-N 3.47Å; V521-S524 PolarHBondContact N-OG 3.25Å; V521-S524 WeakPolarHBondContact O-CB 3.31Å; V521-S524 PolarHBondContact O-N 3.5Å; V521-S524 PolarHBondContact O-OG 3.16Å; V521-I529 HydrophobicContact CG2-CD1 4.42Å; V521-F535 HydrophobicContact CB-CB 4.44Å; V521-F535 HydrophobicContact CG1-CD1 3.97Å; V521-F535 HydrophobicContact CG1-CG 4.39Å; V521-F535 HydrophobicContact CG2-CB 4.33Å; V521-F535 WeakPolarHBondContact CG2-O 3.4Å; V521-M538 HydrophobicContact CG1-CB 4.05Å; V521-M538 HydrophobicContact CG2-CB 3.99Å; V521-M538 WeakPolarHBondContact CG2-O 3.37Å |
| 522 | A | 74.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 42.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y360 S524 D540 P541 V546 | Y360-A522 WeakPolarHBondContact CD1-O 3.19Å; A522-S524 VanDerWaalsContact C-N 3.26Å; A522-S524 PolarHBondContact O-N 3.31Å; A522-D540 PolarHBondContact N-O 2.96Å; A522-P541 VanDerWaalsContact CA-O 3.28Å; A522-P541 WeakPolarHBondContact CA-O 3.44Å; A522-V546 HydrophobicContact CB-CG2 3.29Å |
| 523 | C | 78.3 | Confident | 82.5 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 14% | 0.142 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 18.3 | -173.1 | -48.1 | 0 | 0 | 0 | 0 | 115.1 | Y358 K377 V521 | Y358-C523 HydrophobicContact CD1-CB 3.93Å; Y358-C523 HydrophobicContact CE1-CB 3.77Å; K377-C523 WeakPolarHBondContact CE-O 3.41Å; K377-C523 PolarHBondContact NZ-O 2.82Å; V521-C523 PolarHBondContact O-N 3.47Å |
| 524 | S | 75.9 | Confident | 81.8 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | trans | -72.2 | 152.3 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | S520 V521 A522 | S520-S524 PolarHBondContact OG-O 2.88Å; V521-S524 PolarHBondContact N-OG 3.25Å; V521-S524 WeakPolarHBondContact O-CB 3.31Å; V521-S524 PolarHBondContact O-N 3.5Å; V521-S524 PolarHBondContact O-OG 3.16Å; A522-S524 VanDerWaalsContact C-N 3.26Å; A522-S524 PolarHBondContact O-N 3.31Å | ||
| 525 | S | 81.6 | Confident | 81.1 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | trans | -76.2 | 162.3 | 165.7 | 77.5 | 0 | 0 | 0 | 0 | 111 | E373 K527 A528 I529 | E373-S525 VanDerWaalsContact OE1-CB 3.23Å; E373-S525 WeakPolarHBondContact OE1-CB 3.22Å; E373-S525 PolarHBondContact OE1-N 2.96Å; E373-S525 PolarHBondContact OE1-OG 3.15Å; E373-S525 WeakPolarHBondContact OE2-CB 3.29Å; E373-S525 PolarHBondContact OE2-OG 2.97Å; S525-K527 PolarHBondContact O-N 2.82Å; S525-K527 VanDerWaalsContact O-N 3.08Å; S525-K527 PolarHBondContact OG-N 3Å; S525-A528 PolarHBondContact O-N 3.44Å; S525-A528 PolarHBondContact OG-N 3.28Å; S525-I529 PolarHBondContact O-N 2.85Å | ||
| 526 | A | 82.7 | Confident | 80.1 | Confident | 55 Ų | 55 | 42.3 Ų | 42.3 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | P519 | P519-A526 HydrophobicContact CG-CB 3.9Š|
| 527 | K | 82.6 | Confident | 79.4 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -41.7 | 176.3 | -178.7 | 60.1 | 179.9 | 171.3 | 0 | 111.9 | S525 I529 E530 | S525-K527 PolarHBondContact O-N 2.82Å; S525-K527 VanDerWaalsContact O-N 3.08Å; S525-K527 PolarHBondContact OG-N 3Å; K527-I529 PolarHBondContact O-N 2.96Å; K527-E530 WeakPolarHBondContact CD-OE2 3.24Å; K527-E530 IonicContact NZ-OE2 3.07Å; K527-E530 PolarHBondContact NZ-OE2 3Å; K527-E530 VanDerWaalsContact O-CB 3.28Å; K527-E530 WeakPolarHBondContact O-CB 3.34Å; K527-E530 PolarHBondContact O-N 3.14Å |
| 528 | A | 81.9 | Confident | 79 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -68.1 | -22 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y360 S525 E530 W531 | Y360-A528 HydrophobicContact CD2-CB 3.81Å; Y360-A528 HydrophobicContact CE2-CB 3.55Å; S525-A528 PolarHBondContact O-N 3.44Å; S525-A528 PolarHBondContact OG-N 3.28Å; A528-E530 PolarHBondContact O-N 3.42Å; A528-W531 HydrophobicContact CB-CD2 4.13Å; A528-W531 HydrophobicContact CB-CE3 3.97Å; A528-W531 HydrophobicContact CB-CH2 4.34Å; A528-W531 HydrophobicContact CB-CZ2 4.46Å; A528-W531 HydrophobicContact CB-CZ3 4.09Å; A528-W531 VanDerWaalsContact O-CB 3.31Å; A528-W531 WeakPolarHBondContact O-CB 3.43Å; A528-W531 PolarHBondContact O-N 2.79Å; A528-W531 VanDerWaalsContact O-N 3.1Å |
| 529 | I | 82 | Confident | 78.8 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.082 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -62.2 | -26.1 | 169.9 | -65.7 | 175.2 | 0 | 0 | 0 | 111.7 | P519 V521 S525 K527 W531 F535 K536 | P519-I529 HydrophobicContact CB-CD1 3.61Å; P519-I529 HydrophobicContact CG-CD1 4Å; P519-I529 WeakPolarHBondContact O-CD1 3.48Å; V521-I529 HydrophobicContact CG2-CD1 4.42Å; S525-I529 PolarHBondContact O-N 2.85Å; K527-I529 PolarHBondContact O-N 2.96Å; I529-W531 PolarHBondContact O-N 3.11Å; I529-F535 HydrophobicContact CG2-CB 4.22Å; I529-K536 HydrophobicContact CG2-CB 4.45Å; I529-K536 HydrophobicContact CG2-CG 3.74Å |
| 530 | E | 85.9 | Confident | 79.3 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -71.2 | -16.5 | 176 | -58.9 | 177.9 | -178.7 | 0 | 0 | 113.2 | K527 A528 D532 | K527-E530 WeakPolarHBondContact CD-OE2 3.24Å; K527-E530 IonicContact NZ-OE2 3.07Å; K527-E530 PolarHBondContact NZ-OE2 3Å; K527-E530 VanDerWaalsContact O-CB 3.28Å; K527-E530 WeakPolarHBondContact O-CB 3.34Å; K527-E530 PolarHBondContact O-N 3.14Å; A528-E530 PolarHBondContact O-N 3.42Å; E530-D532 VanDerWaalsContact C-N 3.34Å |
| 531 | W | 88.1 | Confident | 79.5 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -74.5 | -23.1 | -177.8 | -60.7 | -12.6 | 0 | 0 | 0 | 113.4 | Y360 F361 K363 A364 E369 E373 A528 I529 | Y360-W531 HydrophobicContact CD2-CE3 4.08Å; Y360-W531 AromaticContact CD2-CZ3 3.82Å; Y360-W531 HydrophobicContact CD2-CZ3 3.82Å; Y360-W531 HydrophobicContact CE2-CE3 4.33Å; Y360-W531 HydrophobicContact CE2-CH2 4.36Å; Y360-W531 AromaticContact CE2-CZ3 3.69Å; Y360-W531 HydrophobicContact CE2-CZ3 3.69Å; F361-W531 HydrophobicContact CD1-CH2 4.03Å; F361-W531 AromaticContact CD1-CZ3 3.93Å; F361-W531 HydrophobicContact CD1-CZ3 3.93Å; F361-W531 HydrophobicContact CE1-CH2 4Å; F361-W531 HydrophobicContact CE1-CZ3 4.29Å; K363-W531 HydrophobicContact CB-CB 4.31Å; A364-W531 HydrophobicContact CB-CE3 4.06Å; A364-W531 HydrophobicContact CB-CH2 3.92Å; A364-W531 HydrophobicContact CB-CZ3 3.67Å; E369-W531 HydrophobicContact CB-CZ2 3.98Å; E369-W531 WeakPolarHBondContact O-CZ2 3.3Å; E369-W531 PolarHBondContact OE2-NE1 3.38Å; E373-W531 HydrophobicContact CB-CH2 3.57Å; E373-W531 HydrophobicContact CB-CZ2 3.8Å; E373-W531 HydrophobicContact CG-CH2 3.76Å; E373-W531 HydrophobicContact CG-CZ2 4.31Å; A528-W531 HydrophobicContact CB-CD2 4.13Å; A528-W531 HydrophobicContact CB-CE3 3.97Å; A528-W531 HydrophobicContact CB-CH2 4.34Å; A528-W531 HydrophobicContact CB-CZ2 4.46Å; A528-W531 HydrophobicContact CB-CZ3 4.09Å; A528-W531 VanDerWaalsContact O-CB 3.31Å; A528-W531 WeakPolarHBondContact O-CB 3.43Å; A528-W531 PolarHBondContact O-N 2.79Å; A528-W531 VanDerWaalsContact O-N 3.1Å; I529-W531 PolarHBondContact O-N 3.11Å |
| 532 | D | 84.5 | Confident | 80 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | trans | -143.6 | 120.4 | 179 | -163.8 | -37.9 | 0 | 0 | 0 | 111 | K363 E530 A534 F535 | K363-D532 HydrophobicContact CB-CB 4.49Å; K363-D532 WeakPolarHBondContact CD-OD2 3.47Å; K363-D532 WeakPolarHBondContact CE-OD2 3.27Å; K363-D532 HydrophobicContact CG-CB 4.29Å; K363-D532 IonicContact NZ-OD2 2.69Å; K363-D532 PolarHBondContact NZ-OD2 3.17Å; E530-D532 VanDerWaalsContact C-N 3.34Å; D532-A534 PolarHBondContact O-N 2.98Å; D532-A534 VanDerWaalsContact O-N 3.1Å; D532-A534 VanDerWaalsContact OD1-CB 3.22Å; D532-A534 WeakPolarHBondContact OD1-CB 3.27Å; D532-A534 PolarHBondContact OD1-N 2.96Å; D532-F535 HydrophobicContact CB-CD2 3.69Å; D532-F535 HydrophobicContact CB-CE2 3.83Å; D532-F535 HydrophobicContact CB-CG 4.09Å; D532-F535 HydrophobicContact CB-CZ 4.36Å; D532-F535 WeakPolarHBondContact O-CB 3.1Å; D532-F535 PolarHBondContact O-N 2.79Å | ||
| 533 | E | 82.5 | Confident | 80.3 | Confident | 124 Ų | 124 | 50.3 Ų | 50.3 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.2 | 176.8 | -71.1 | -63.7 | 141.4 | 0 | 0 | 113.2 | F535 K536 | E533-F535 VanDerWaalsContact C-N 3.3Å; E533-F535 PolarHBondContact O-N 3.14Å; E533-K536 VanDerWaalsContact CD-NZ 3.33Å; E533-K536 PolarHBondContact O-N 2.93Å; E533-K536 IonicContact OE1-NZ 2.96Å; E533-K536 PolarHBondContact OE1-NZ 3.01Å; E533-K536 WeakPolarHBondContact OE2-CD 3.4Å; E533-K536 IonicContact OE2-NZ 2.75Å; E533-K536 PolarHBondContact OE2-NZ 3.49Å |
| 534 | A | 81.7 | Confident | 80.6 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 36% | 0.355 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D532 K536 K537 M538 | D532-A534 PolarHBondContact O-N 2.98Å; D532-A534 VanDerWaalsContact O-N 3.1Å; D532-A534 VanDerWaalsContact OD1-CB 3.22Å; D532-A534 WeakPolarHBondContact OD1-CB 3.27Å; D532-A534 PolarHBondContact OD1-N 2.96Å; A534-K536 VanDerWaalsContact C-N 3.3Å; A534-K536 PolarHBondContact O-N 3.42Å; A534-K537 PolarHBondContact O-N 3.38Å; A534-M538 HydrophobicContact CB-CE 4.4Å |
| 535 | F | 80.3 | Confident | 80.8 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -68.8 | -28.4 | 179.7 | -63.1 | -24.1 | 0 | 0 | 0 | 112.4 | K363 V521 I529 D532 E533 K537 M538 V546 | K363-F535 HydrophobicContact CB-CE2 4.37Å; K363-F535 HydrophobicContact CG-CE2 4.01Å; K363-F535 HydrophobicContact CG-CZ 4Å; V521-F535 HydrophobicContact CB-CB 4.44Å; V521-F535 HydrophobicContact CG1-CD1 3.97Å; V521-F535 HydrophobicContact CG1-CG 4.39Å; V521-F535 HydrophobicContact CG2-CB 4.33Å; V521-F535 WeakPolarHBondContact CG2-O 3.4Å; I529-F535 HydrophobicContact CG2-CB 4.22Å; D532-F535 HydrophobicContact CB-CD2 3.69Å; D532-F535 HydrophobicContact CB-CE2 3.83Å; D532-F535 HydrophobicContact CB-CG 4.09Å; D532-F535 HydrophobicContact CB-CZ 4.36Å; D532-F535 WeakPolarHBondContact O-CB 3.1Å; D532-F535 PolarHBondContact O-N 2.79Å; E533-F535 VanDerWaalsContact C-N 3.3Å; E533-F535 PolarHBondContact O-N 3.14Å; F535-K537 PolarHBondContact O-N 2.78Å; F535-M538 HydrophobicContact CD1-SD 4.49Å; F535-M538 PolarHBondContact O-N 3.46Å; F535-M538 VanDerWaalsContact O-N 3.1Å; F535-V546 HydrophobicContact CE1-CG1 4.33Å; F535-V546 HydrophobicContact CZ-CG1 4.19Å |
| 536 | K | 75.7 | Confident | 80.8 | Confident | 110 Ų | 110 | 50.7 Ų | 50.7 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -62.2 | -16.6 | 176.9 | -65.3 | -178.8 | -176.1 | 172.6 | 0 | 114.1 | I529 E533 A534 | I529-K536 HydrophobicContact CG2-CB 4.45Å; I529-K536 HydrophobicContact CG2-CG 3.74Å; E533-K536 VanDerWaalsContact CD-NZ 3.33Å; E533-K536 PolarHBondContact O-N 2.93Å; E533-K536 IonicContact OE1-NZ 2.96Å; E533-K536 PolarHBondContact OE1-NZ 3.01Å; E533-K536 WeakPolarHBondContact OE2-CD 3.4Å; E533-K536 IonicContact OE2-NZ 2.75Å; E533-K536 PolarHBondContact OE2-NZ 3.49Å; A534-K536 VanDerWaalsContact C-N 3.3Å; A534-K536 PolarHBondContact O-N 3.42Å |
| 537 | K | 75.9 | Confident | 80.7 | Confident | 191 Ų | 191 | 51.7 Ų | 51.7 | 83% | 0.83 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -107.9 | 3.8 | -179.1 | -60 | -178.2 | -175.6 | 175.8 | 0 | 113.1 | A534 F535 | A534-K537 PolarHBondContact O-N 3.38Å; F535-K537 PolarHBondContact O-N 2.78Å |
| 538 | M | 75.5 | Confident | 80.7 | Confident | 81 Ų | 81 | 51 Ų | 51 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | trans | -114 | 146.9 | -177.9 | -65.3 | 179.3 | -172.9 | 0 | 0 | 109.8 | V521 A534 F535 | V521-M538 HydrophobicContact CG1-CB 4.05Å; V521-M538 HydrophobicContact CG2-CB 3.99Å; V521-M538 WeakPolarHBondContact CG2-O 3.37Å; A534-M538 HydrophobicContact CB-CE 4.4Å; F535-M538 HydrophobicContact CD1-SD 4.49Å; F535-M538 PolarHBondContact O-N 3.46Å; F535-M538 VanDerWaalsContact O-N 3.1Å | ||
| 539 | D | 72.7 | Confident | 80.7 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | trans | -143.2 | 49.6 | 174.7 | -168.6 | 22.2 | 0 | 0 | 0 | 108.4 | T491 | T491-D539 WeakPolarHBondContact CB-OD2 3.37Å; T491-D539 PolarHBondContact OG1-OD2 2.87Å | ||
| 540 | D | 79.5 | Confident | 80.7 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | trans | -120.7 | 120.2 | 172.6 | -162.6 | -23.4 | 0 | 0 | 0 | 109.6 | R325 K466 A522 S542 A545 | R325-D540 IonicContact NH1-OD1 3.35Å; K466-D540 IonicContact NZ-OD1 2.82Å; K466-D540 IonicContact NZ-OD2 3.44Å; K466-D540 PolarHBondContact NZ-OD2 2.97Å; A522-D540 PolarHBondContact N-O 2.96Å; D540-S542 PolarHBondContact O-N 2.99Å; D540-S542 WeakPolarHBondContact OD1-CB 3.49Å; D540-S542 PolarHBondContact OD1-N 2.86Å; D540-A545 HydrophobicContact CB-CB 4.13Å | ||
| 541 | P | 77.4 | Confident | 80.5 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | trans | -74.2 | -8.9 | 177.3 | 29 | -34.7 | 0 | 0 | 0 | 113.9 | V321 T322 Q452 A522 | V321-P541 HydrophobicContact CG1-CG 4.35Å; T322-P541 HydrophobicContact CG2-CB 4.27Å; T322-P541 WeakPolarHBondContact OG1-CB 3.48Å; Q452-P541 PolarHBondContact NE2-O 2.93Å; Q452-P541 VanDerWaalsContact NE2-O 3.07Å; Q452-P541 PolarHBondContact OE1-O 3.47Å; A522-P541 VanDerWaalsContact CA-O 3.28Å; A522-P541 WeakPolarHBondContact CA-O 3.44Å | ||
| 542 | S | 81.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -62.3 | 142.6 | 178 | 170.9 | 0 | 0 | 0 | 0 | 112.4 | D455 D540 R544 A545 | D455-S542 VanDerWaalsContact CG-OG 3.28Å; D455-S542 PolarHBondContact OD1-OG 2.55Å; D455-S542 PolarHBondContact OD2-OG 3.37Å; D540-S542 PolarHBondContact O-N 2.99Å; D540-S542 WeakPolarHBondContact OD1-CB 3.49Å; D540-S542 PolarHBondContact OD1-N 2.86Å; S542-R544 PolarHBondContact O-N 2.9Å; S542-R544 WeakPolarHBondContact OG-CB 3.48Å; S542-R544 PolarHBondContact OG-N 3.47Å; S542-R544 VanDerWaalsContact OG-N 3.11Å; S542-A545 VanDerWaalsContact O-CB 3.27Å; S542-A545 WeakPolarHBondContact O-CB 3.25Å; S542-A545 PolarHBondContact O-N 3.15Å; S542-A545 VanDerWaalsContact O-N 3.11Å |
| 543 | G | 79.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -64 | -25.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q452 D455 A545 V546 | Q452-G543 VanDerWaalsContact CD-CA 3.44Å; Q452-G543 VanDerWaalsContact NE2-CA 3.32Å; Q452-G543 VanDerWaalsContact NE2-N 3.14Å; D455-G543 PolarHBondContact OD2-N 3.12Å; G543-A545 PolarHBondContact O-N 3.36Å; G543-V546 PolarHBondContact O-N 3.02Å; G543-V546 VanDerWaalsContact O-N 3.09Å |
| 544 | R | 85 | Confident | 78.9 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 14% | 0.143 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -70.1 | -12.1 | 177.7 | -60.1 | 174 | 64 | -158.5 | -4.9 | 113.4 | D455 Y459 S542 S551 A552 Y553 | D455-R544 WeakPolarHBondContact OD1-CD 3.44Å; Y459-R544 HydrophobicContact CE1-CG 4.37Å; S542-R544 PolarHBondContact O-N 2.9Å; S542-R544 WeakPolarHBondContact OG-CB 3.48Å; S542-R544 PolarHBondContact OG-N 3.47Å; S542-R544 VanDerWaalsContact OG-N 3.11Å; R544-S551 PolarHBondContact NE-O 3.42Å; R544-A552 WeakPolarHBondContact O-CA 3.29Å; R544-Y553 HydrophobicContact CB-CD1 4.4Å; R544-Y553 HydrophobicContact CB-CD2 4.12Å; R544-Y553 HydrophobicContact CB-CE1 4.26Å; R544-Y553 HydrophobicContact CB-CE2 3.96Å; R544-Y553 HydrophobicContact CB-CG 4.34Å; R544-Y553 PolarHBondContact O-N 3.16Å |
| 545 | A | 80.4 | Confident | 78.7 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -71.3 | -20.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D540 S542 G543 | D540-A545 HydrophobicContact CB-CB 4.13Å; S542-A545 VanDerWaalsContact O-CB 3.27Å; S542-A545 WeakPolarHBondContact O-CB 3.25Å; S542-A545 PolarHBondContact O-N 3.15Å; S542-A545 VanDerWaalsContact O-N 3.11Å; G543-A545 PolarHBondContact O-N 3.36Å |
| 546 | V | 81.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -89.2 | 121.4 | 178.6 | -164.5 | 0 | 0 | 0 | 0 | 109.9 | L359 A522 F535 G543 V548 H549 | L359-V546 HydrophobicContact CB-CB 4.14Å; L359-V546 HydrophobicContact CB-CG1 4.18Å; L359-V546 HydrophobicContact CB-CG2 4.21Å; A522-V546 HydrophobicContact CB-CG2 3.29Å; F535-V546 HydrophobicContact CE1-CG1 4.33Å; F535-V546 HydrophobicContact CZ-CG1 4.19Å; G543-V546 PolarHBondContact O-N 3.02Å; G543-V546 VanDerWaalsContact O-N 3.09Å; V546-V548 HydrophobicContact CB-CG2 4.49Å; V546-V548 HydrophobicContact CG1-CG2 3.79Å; V546-V548 PolarHBondContact O-N 2.73Å; V546-H549 WeakPolarHBondContact O-CB 3.2Å; V546-H549 PolarHBondContact O-N 3.01Å |
| 547 | G | 80 | Confident | 78.8 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 77% | 0.773 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -10.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | H549 | G547-H549 VanDerWaalsContact C-N 3.3Š|
| 548 | V | 82.9 | Confident | 79 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14 | 172.5 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | L359 H362 Q449 V546 Q550 | L359-V548 HydrophobicContact CB-CG2 3.96Å; L359-V548 HydrophobicContact CD1-CG2 4.45Å; L359-V548 HydrophobicContact CD2-CG2 4.19Å; L359-V548 HydrophobicContact CG-CG2 4.43Å; H362-V548 HydrophobicContact CB-CG1 4.41Å; Q449-V548 PolarHBondContact NE2-O 2.95Å; V546-V548 HydrophobicContact CB-CG2 4.49Å; V546-V548 HydrophobicContact CG1-CG2 3.79Å; V546-V548 PolarHBondContact O-N 2.73Å; V548-Q550 PolarHBondContact O-N 3.43Å |
| 549 | H | 82.3 | Confident | 79.2 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.032 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -66.2 | 128.4 | 178.3 | -166 | -70.8 | 0 | 0 | 0 | 110.3 | L359 E451 V546 G547 S551 A552 | L359-H549 HydrophobicContact CD1-CB 3.84Å; L359-H549 VanDerWaalsContact CD1-CD2 3.45Å; L359-H549 WeakPolarHBondContact CD1-CD2 3.46Å; E451-H549 IonicContact OE1-CE1 2.69Å; E451-H549 PolarHBondContact OE1-CE1 3.32Å; E451-H549 IonicContact OE1-NE2 3.21Å; E451-H549 PolarHBondContact OE1-NE2 2.84Å; E451-H549 IonicContact OE2-CE1 2.76Å; E451-H549 IonicContact OE2-NE2 3.31Å; V546-H549 WeakPolarHBondContact O-CB 3.2Å; V546-H549 PolarHBondContact O-N 3.01Å; G547-H549 VanDerWaalsContact C-N 3.3Å; H549-S551 PolarHBondContact ND1-N 2.88Å; H549-S551 PolarHBondContact O-N 3.43Å; H549-A552 HydrophobicContact CB-CB 4.14Å; H549-A552 VanDerWaalsContact O-CB 3.29Å; H549-A552 WeakPolarHBondContact O-CB 3.22Å; H549-A552 PolarHBondContact O-N 3.32Å |
| 550 | Q | 82.2 | Confident | 79.6 | Confident | 166 Ų | 166 | 55.5 Ų | 55.5 | 78% | 0.776 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33.6 | -178.2 | -75.3 | 172.3 | 14.5 | 0 | 0 | 113.2 | Q449 V548 | Q449-Q550 VanDerWaalsContact OE1-CG 3.29Å; V548-Q550 PolarHBondContact O-N 3.43Å |
| 551 | S | 81.9 | Confident | 79.6 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 31.2 | 174.1 | -52 | 0 | 0 | 0 | 0 | 114.1 | R544 H549 | R544-S551 PolarHBondContact NE-O 3.42Å; H549-S551 PolarHBondContact ND1-N 2.88Å; H549-S551 PolarHBondContact O-N 3.43Å |
| 552 | A | 78.5 | Confident | 79.8 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 21% | 0.207 | 33% | 0.33 | C | S | . | . | trans | -52.3 | 153.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R544 H549 K554 | R544-A552 WeakPolarHBondContact O-CA 3.29Å; H549-A552 HydrophobicContact CB-CB 4.14Å; H549-A552 VanDerWaalsContact O-CB 3.29Å; H549-A552 WeakPolarHBondContact O-CB 3.22Å; H549-A552 PolarHBondContact O-N 3.32Å; A552-K554 PolarHBondContact O-N 3.2Å | ||
| 553 | Y | 76.5 | Confident | 79.7 | Confident | 80 Ų | 80 | 66 Ų | 66 | 31% | 0.314 | 36% | 0.358 | S | S | . | . | trans | -56.7 | 137.9 | 169.4 | -62.5 | -52.5 | 0 | 0 | 0 | 109.8 | R544 | R544-Y553 HydrophobicContact CB-CD1 4.4Å; R544-Y553 HydrophobicContact CB-CD2 4.12Å; R544-Y553 HydrophobicContact CB-CE1 4.26Å; R544-Y553 HydrophobicContact CB-CE2 3.96Å; R544-Y553 HydrophobicContact CB-CG 4.34Å; R544-Y553 PolarHBondContact O-N 3.16Å | ||
| 554 | K | 65 | Low | 79.7 | Confident | 277 Ų | 277 | 71.9 Ų | 71.9 | 100% | 1.204 | 39% | 0.389 | S | S | * | . | trans | -85.6 | 0 | -178.3 | -73.5 | -172.2 | 178.7 | 180 | 0 | 112.4 | A552 | A552-K554 PolarHBondContact O-N 3.2Š|
Retrieved 554 of 554 residues in 1183.8 ms
(Link to these results)