| 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 | 52.2 | Low | 90.3 | Very high | 212 Ų | 212 | 55.5 Ų | 55.5 | 100% | 1.044 | 27% | 0.268 | S | S | * | . | 0 | 158.5 | 0 | -68.1 | 174.8 | -178.7 | 0 | 0 | 108.4 | E396 | M1-E396 WeakPolarHBondContact CE-OE1 3.24Š| |||
| 2 | E | 70.7 | Confident | 91 | Very high | 188 Ų | 188 | 52.4 Ų | 52.4 | 88% | 0.879 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 150.9 | 168.4 | -64.8 | -173 | 153.7 | 0 | 0 | 110.1 | ||
| 3 | S | 88.2 | Confident | 91.6 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 28% | 0.28 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -74.3 | 126.3 | 179.8 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | R5 S26 A27 Q28 | S3-R5 PolarHBondContact O-N 3.48Å; S3-S26 WeakPolarHBondContact CA-O 3.26Å; S3-A27 VanDerWaalsContact OG-C 3.31Å; S3-A27 VanDerWaalsContact OG-CA 3.3Å; S3-A27 WeakPolarHBondContact OG-CA 3.5Å; S3-A27 PolarHBondContact OG-N 3.22Å; S3-Q28 PolarHBondContact OG-N 2.93Å |
| 4 | L | 93.8 | Very high | 92.1 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 132.8 | 179.5 | -70.9 | 172.9 | 0 | 0 | 0 | 111 | I25 S26 A27 Q28 D71 | L4-I25 HydrophobicContact CD1-CG2 3.93Å; L4-S26 PolarHBondContact N-O 3.25Å; L4-A27 HydrophobicContact CB-CB 3.92Å; L4-A27 CarbonylContact O-C 3.3Å; L4-A27 VanDerWaalsContact O-CA 3.26Å; L4-A27 WeakPolarHBondContact O-CA 3.48Å; L4-Q28 PolarHBondContact O-N 3.4Å; L4-D71 HydrophobicContact CD2-CB 3.82Å |
| 5 | R | 97.8 | Very high | 92.5 | Very high | 81 Ų | 81 | 42.2 Ų | 42.2 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 118.2 | -178.9 | -62.9 | 176.1 | 64.8 | 76.4 | 0.9 | 109.4 | S3 V30 L68 S69 F70 D71 M72 | S3-R5 PolarHBondContact O-N 3.48Å; R5-V30 HydrophobicContact CB-CG1 3.75Å; R5-V30 HydrophobicContact CB-CG2 4.35Å; R5-V30 HydrophobicContact CG-CG1 4.01Å; R5-L68 VanDerWaalsContact CZ-O 3.27Å; R5-L68 PolarHBondContact NE-O 3.14Å; R5-L68 PolarHBondContact NH2-O 3.27Å; R5-S69 WeakPolarHBondContact CD-O 2.97Å; R5-S69 PolarHBondContact NE-O 3.25Å; R5-F70 HydrophobicContact CB-CB 4.48Å; R5-F70 CarbonylContact O-C 3.5Å; R5-F70 WeakPolarHBondContact O-CA 3.45Å; R5-F70 WeakPolarHBondContact O-CB 3.34Å; R5-D71 WeakPolarHBondContact CB-OD2 3.5Å; R5-D71 PolarHBondContact N-OD2 2.81Å; R5-D71 PolarHBondContact O-N 2.73Å; R5-M72 PolarHBondContact O-N 3.2Å |
| 6 | V | 98.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.7 | -171.7 | -165.8 | 0 | 0 | 0 | 0 | 112 | L20 A27 Q28 V29 V30 M72 M74 | V6-L20 HydrophobicContact CB-CD2 4.31Å; V6-L20 HydrophobicContact CG2-CD1 4.38Å; V6-L20 HydrophobicContact CG2-CD2 3.82Å; V6-A27 HydrophobicContact CG2-CB 3.94Å; V6-Q28 PolarHBondContact N-O 3.26Å; V6-V29 CarbonylContact O-C 3.54Å; V6-V29 WeakPolarHBondContact O-CA 3.41Å; V6-V30 WeakPolarHBondContact O-CG2 3.38Å; V6-V30 PolarHBondContact O-N 3.21Å; V6-M72 WeakPolarHBondContact CA-O 3.27Å; V6-M72 HydrophobicContact CB-CB 4.49Å; V6-M72 HydrophobicContact CG1-CB 4.06Å; V6-M72 HydrophobicContact CG1-CG 4.04Å; V6-M72 HydrophobicContact CG1-SD 4.17Å; V6-M72 HydrophobicContact CG2-CB 4.18Å; V6-M72 HydrophobicContact CG2-SD 4.37Å; V6-M74 HydrophobicContact CG1-CE 3.65Å; V6-M74 HydrophobicContact CG1-CG 3.79Å; V6-M74 HydrophobicContact CG1-SD 4.22Å |
| 7 | L | 98.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.3 | 169.2 | 174 | 62.5 | 0 | 0 | 0 | 109 | L9 A31 V33 F65 L68 F70 M72 I73 M74 | L7-L9 HydrophobicContact CD1-CD2 3.79Å; L7-L9 HydrophobicContact CD1-CG 4.46Å; L7-L9 HydrophobicContact CD2-CD1 4.3Å; L7-L9 HydrophobicContact CD2-CD2 4.04Å; L7-L9 HydrophobicContact CD2-CG 4.23Å; L7-L9 HydrophobicContact CG-CD2 3.81Å; L7-L9 HydrophobicContact CG-CG 3.98Å; L7-A31 HydrophobicContact CD1-CB 4Å; L7-V33 HydrophobicContact CD1-CG2 4.27Å; L7-F65 HydrophobicContact CD2-CD1 3.78Å; L7-F65 HydrophobicContact CD2-CE1 3.85Å; L7-L68 HydrophobicContact CD1-CD1 3.98Å; L7-F70 HydrophobicContact CB-CB 4.15Å; L7-F70 HydrophobicContact CB-CD1 3.97Å; L7-F70 HydrophobicContact CB-CD2 4.16Å; L7-F70 HydrophobicContact CB-CE1 4.48Å; L7-F70 HydrophobicContact CB-CG 3.81Å; L7-F70 HydrophobicContact CD2-CD1 3.94Å; L7-F70 HydrophobicContact CD2-CD2 4.43Å; L7-F70 HydrophobicContact CD2-CE1 3.6Å; L7-F70 HydrophobicContact CD2-CE2 4.13Å; L7-F70 HydrophobicContact CD2-CG 4.35Å; L7-F70 HydrophobicContact CD2-CZ 3.71Å; L7-M72 PolarHBondContact N-O 3.32Å; L7-I73 HydrophobicContact CD2-CG1 4.34Å; L7-I73 WeakPolarHBondContact O-CA 3.23Å; L7-M74 PolarHBondContact O-N 3.31Å |
| 8 | E | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 103.2 | 179.7 | -172.1 | -175.3 | -168 | 0 | 0 | 109.9 | M16 H17 V29 A31 A32 V33 Y43 | E8-M16 HydrophobicContact CG-CB 3.95Å; E8-M16 WeakPolarHBondContact OE1-CB 3.37Å; E8-H17 PolarHBondContact OE1-N 3.18Å; E8-V29 HydrophobicContact CB-CG1 3.99Å; E8-A31 PolarHBondContact N-O 3.17Å; E8-A32 HydrophobicContact CB-CB 4.33Å; E8-A32 CarbonylContact O-C 3.52Å; E8-A32 WeakPolarHBondContact O-CA 3.32Å; E8-V33 PolarHBondContact O-N 3.3Å; E8-Y43 WeakPolarHBondContact OE2-CE2 3.33Å; E8-Y43 VanDerWaalsContact OE2-CZ 3.27Å; E8-Y43 PolarHBondContact OE2-OH 3.3Å |
| 9 | L | 98.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141.8 | 179.7 | -57.9 | 178.7 | 0 | 0 | 0 | 110.9 | L7 S11 V33 I57 F65 I73 M74 M75 I102 | L7-L9 HydrophobicContact CD1-CD2 3.79Å; L7-L9 HydrophobicContact CD1-CG 4.46Å; L7-L9 HydrophobicContact CD2-CD1 4.3Å; L7-L9 HydrophobicContact CD2-CD2 4.04Å; L7-L9 HydrophobicContact CD2-CG 4.23Å; L7-L9 HydrophobicContact CG-CD2 3.81Å; L7-L9 HydrophobicContact CG-CG 3.98Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-V33 HydrophobicContact CD2-CB 3.94Å; L9-V33 HydrophobicContact CD2-CG2 3.74Å; L9-I57 HydrophobicContact CB-CD1 4.17Å; L9-I57 HydrophobicContact CD2-CD1 4.36Å; L9-F65 HydrophobicContact CD2-CE1 4.44Å; L9-I73 HydrophobicContact CD1-CG2 4.04Å; L9-I73 HydrophobicContact CG-CG2 4.41Å; L9-M74 PolarHBondContact N-O 2.88Å; L9-M75 HydrophobicContact CB-CB 4.03Å; L9-M75 WeakPolarHBondContact O-CA 3.3Å; L9-I102 HydrophobicContact CD1-CD1 3.58Å; L9-I102 HydrophobicContact CD1-CG1 3.93Å; L9-I102 HydrophobicContact CD1-CG2 4.38Å |
| 10 | Y | 97.8 | Very high | 94 | Very high | 34 Ų | 34 | 33.6 Ų | 33.6 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 44.2 | -171.7 | -44.1 | -82.9 | 0 | 0 | 0 | 111.3 | G12 V33 I57 M75 S76 P77 P78 S98 F99 I102 | Y10-G12 PolarHBondContact O-N 3.32Å; Y10-G12 VanDerWaalsContact O-N 3.12Å; Y10-V33 WeakPolarHBondContact CA-O 3.42Å; Y10-V33 PolarHBondContact N-O 2.95Å; Y10-I57 HydrophobicContact CD1-CD1 3.98Å; Y10-I57 HydrophobicContact CD2-CD1 4.18Å; Y10-I57 HydrophobicContact CE1-CD1 3.52Å; Y10-I57 HydrophobicContact CE2-CD1 3.75Å; Y10-I57 HydrophobicContact CG-CD1 4.31Å; Y10-I57 VanDerWaalsContact CZ-CD1 3.42Å; Y10-M75 HydrophobicContact CD2-CB 4.14Å; Y10-M75 HydrophobicContact CE2-CB 4.49Å; Y10-S76 VanDerWaalsContact CB-O 3.25Å; Y10-S76 WeakPolarHBondContact CB-O 3.35Å; Y10-P77 HydrophobicContact CD2-CB 4.12Å; Y10-P77 HydrophobicContact CE2-CB 3.63Å; Y10-P78 VanDerWaalsContact CD1-CD 3.48Å; Y10-P78 HydrophobicContact CD1-CG 4.43Å; Y10-P78 HydrophobicContact CE1-CG 4.25Å; Y10-S98 WeakPolarHBondContact CE1-OG 3.3Å; Y10-S98 WeakPolarHBondContact OH-CB 3.29Å; Y10-S98 PolarHBondContact OH-O 2.55Å; Y10-S98 PolarHBondContact OH-OG 3.36Å; Y10-F99 WeakPolarHBondContact OH-CA 3.47Å; Y10-F99 PolarHBondContact OH-N 3.25Å; Y10-F99 VanDerWaalsContact OH-N 3.15Å; Y10-I102 HydrophobicContact CE2-CD1 3.62Å |
| 11 | S | 98.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -62.8 | -22.8 | -166.3 | 64 | 0 | 0 | 0 | 0 | 114.2 | L9 I13 G14 V33 | L9-S11 VanDerWaalsContact C-N 3.29Å; S11-I13 PolarHBondContact O-N 3.08Å; S11-G14 PolarHBondContact O-N 3.19Å; S11-V33 PolarHBondContact N-O 2.93Å | ||
| 12 | G | 98.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 31.8 Ų | 31.8 | 19% | 0.186 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -113.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y10 D34 A39 | Y10-G12 PolarHBondContact O-N 3.32Å; Y10-G12 VanDerWaalsContact O-N 3.12Å; G12-D34 WeakPolarHBondContact CA-OD2 3.26Å; G12-D34 PolarHBondContact N-OD2 2.89Å; G12-A39 CarbonylContact O-C 3.48Å; G12-A39 VanDerWaalsContact O-C 3.3Å; G12-A39 VanDerWaalsContact O-CB 3.28Å; G12-A39 WeakPolarHBondContact O-CB 3.45Å |
| 13 | I | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 15 | 178.1 | 62.4 | 177.2 | 0 | 0 | 0 | 113.2 | S11 A39 I42 F358 F362 V376 L377 | S11-I13 PolarHBondContact O-N 3.08Å; I13-A39 HydrophobicContact CG2-CB 4.29Å; I13-I42 HydrophobicContact CB-CG2 4Å; I13-I42 HydrophobicContact CG2-CB 3.98Å; I13-I42 HydrophobicContact CG2-CD1 4.06Å; I13-I42 HydrophobicContact CG2-CG2 3.81Å; I13-F358 HydrophobicContact CD1-CE1 4.12Å; I13-F358 HydrophobicContact CD1-CE2 4.44Å; I13-F358 HydrophobicContact CD1-CZ 3.77Å; I13-F358 HydrophobicContact CG1-CE1 4.11Å; I13-F358 HydrophobicContact CG1-CZ 3.88Å; I13-F362 HydrophobicContact CD1-CZ 4Å; I13-V376 HydrophobicContact CD1-CG2 4.28Å; I13-V376 HydrophobicContact CG2-CB 3.72Å; I13-V376 HydrophobicContact CG2-CG1 4.32Å; I13-V376 HydrophobicContact CG2-CG2 3.79Å; I13-L377 HydrophobicContact CD1-CD2 4.03Å |
| 14 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 32.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S11 H17 Y18 Y43 | S11-G14 PolarHBondContact O-N 3.19Å; G14-H17 PolarHBondContact O-N 3.2Å; G14-Y18 VanDerWaalsContact O-CD2 3.24Å; G14-Y18 WeakPolarHBondContact O-CD2 3.1Å; G14-Y18 PolarHBondContact O-N 3.36Å; G14-Y43 VanDerWaalsContact CA-CE2 3.42Å |
| 15 | G | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A19 | G15-A19 WeakPolarHBondContact O-CB 3.44Å; G15-A19 PolarHBondContact O-N 3.26Å |
| 16 | M | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.03 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 174.7 | -66.8 | -67.6 | -171.2 | 0 | 0 | 110.7 | E8 Y18 A19 L20 M74 S76 L117 E119 L381 V386 | E8-M16 HydrophobicContact CG-CB 3.95Å; E8-M16 WeakPolarHBondContact OE1-CB 3.37Å; M16-Y18 PolarHBondContact O-N 2.96Å; M16-A19 WeakPolarHBondContact O-CB 3.29Å; M16-A19 PolarHBondContact O-N 2.7Å; M16-L20 PolarHBondContact O-N 3.31Å; M16-M74 HydrophobicContact CB-CB 4.05Å; M16-M74 HydrophobicContact CB-CE 3.68Å; M16-M74 HydrophobicContact CB-SD 4Å; M16-M74 HydrophobicContact CG-CB 4Å; M16-M74 HydrophobicContact SD-CB 4.14Å; M16-S76 WeakPolarHBondContact CE-OG 3.15Å; M16-L117 HydrophobicContact CE-CD2 3.49Å; M16-L117 VanDerWaalsContact CE-CD2 3.49Å; M16-L117 HydrophobicContact SD-CD2 3.67Å; M16-E119 HydrophobicContact CE-CB 3.88Å; M16-L381 HydrophobicContact CE-CD2 3.6Å; M16-L381 HydrophobicContact CG-CD2 3.63Å; M16-L381 HydrophobicContact SD-CD2 3.43Å; M16-L381 WeakPolarHBondContact SD-CD2 3.25Å; M16-V386 HydrophobicContact SD-CG1 3.69Å; M16-V386 HydrophobicContact SD-CG2 4.4Å |
| 17 | H | 98.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 25 Ų | 25 | 6% | 0.06 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 174.9 | -161.1 | 152.6 | 0 | 0 | 0 | 112.4 | E8 G14 A19 L20 K21 V29 Y43 F47 T50 | E8-H17 PolarHBondContact OE1-N 3.18Å; G14-H17 PolarHBondContact O-N 3.2Å; H17-A19 VanDerWaalsContact C-N 3.31Å; H17-A19 PolarHBondContact O-N 3.11Å; H17-L20 WeakPolarHBondContact O-CB 3.37Å; H17-L20 PolarHBondContact O-N 3.2Å; H17-K21 WeakPolarHBondContact NE2-CE 3.44Å; H17-K21 PolarHBondContact O-N 3.48Å; H17-V29 HydrophobicContact CB-CG2 4.31Å; H17-Y43 AromaticContact ND1-CZ 3.75Å; H17-Y43 PolarHBondContact ND1-OH 2.82Å; H17-F47 HydrophobicContact CB-CE1 3.95Å; H17-F47 HydrophobicContact CB-CE2 4.2Å; H17-F47 HydrophobicContact CB-CZ 3.75Å; H17-F47 AromaticContact CD2-CD1 3.83Å; H17-F47 AromaticContact CD2-CE1 3.4Å; H17-F47 VanDerWaalsContact CD2-CE1 3.4Å; H17-F47 WeakPolarHBondContact CD2-CE1 3.37Å; H17-F47 AromaticContact CE1-CD1 3.32Å; H17-F47 WeakPolarHBondContact CE1-CD1 3.27Å; H17-F47 AromaticContact CE1-CE1 3.74Å; H17-F47 AromaticContact CE1-CG 3.95Å; H17-F47 AromaticContact CG-CD1 3.7Å; H17-F47 AromaticContact CG-CE1 3.36Å; H17-F47 AromaticContact CG-CZ 3.71Å; H17-F47 AromaticContact ND1-CD1 3.36Å; H17-F47 WeakPolarHBondContact ND1-CD1 3.22Å; H17-F47 AromaticContact ND1-CE1 3.58Å; H17-F47 AromaticContact ND1-CG 3.72Å; H17-F47 AromaticContact NE2-CD1 3.59Å; H17-F47 AromaticContact NE2-CE1 3.63Å; H17-T50 PolarHBondContact CE1-OG1 3.08Å |
| 18 | Y | 98.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.3 | -81.8 | -64 | 0 | 0 | 0 | 112.1 | G14 M16 L20 K21 E22 N46 F47 F358 P359 F362 | G14-Y18 VanDerWaalsContact O-CD2 3.24Å; G14-Y18 WeakPolarHBondContact O-CD2 3.1Å; G14-Y18 PolarHBondContact O-N 3.36Å; M16-Y18 PolarHBondContact O-N 2.96Å; Y18-L20 VanDerWaalsContact C-N 3.3Å; Y18-L20 PolarHBondContact O-N 3.34Å; Y18-K21 PolarHBondContact O-N 3.23Å; Y18-E22 VanDerWaalsContact O-CB 3.3Å; Y18-E22 WeakPolarHBondContact O-CB 3.49Å; Y18-E22 PolarHBondContact O-N 2.93Å; Y18-N46 HydrophobicContact CE2-CB 4.46Å; Y18-N46 WeakPolarHBondContact OH-CB 3.5Å; Y18-N46 PolarHBondContact OH-OD1 3.38Å; Y18-N46 VanDerWaalsContact OH-OD1 3.09Å; Y18-F47 AromaticContact CD1-CZ 3.93Å; Y18-F47 HydrophobicContact CD1-CZ 3.93Å; Y18-F47 AromaticContact CD2-CE2 3.9Å; Y18-F47 HydrophobicContact CD2-CE2 3.9Å; Y18-F47 AromaticContact CD2-CZ 3.56Å; Y18-F47 HydrophobicContact CD2-CZ 3.56Å; Y18-F47 HydrophobicContact CE1-CE1 4.38Å; Y18-F47 AromaticContact CE1-CZ 3.83Å; Y18-F47 HydrophobicContact CE1-CZ 3.83Å; Y18-F47 AromaticContact CE2-CE2 3.52Å; Y18-F47 HydrophobicContact CE2-CE2 3.52Å; Y18-F47 AromaticContact CE2-CZ 3.43Å; Y18-F47 HydrophobicContact CE2-CZ 3.43Å; Y18-F47 VanDerWaalsContact CE2-CZ 3.43Å; Y18-F47 AromaticContact CG-CZ 3.82Å; Y18-F47 HydrophobicContact CG-CZ 3.82Å; Y18-F47 AromaticContact CZ-CE2 3.95Å; Y18-F47 AromaticContact CZ-CZ 3.59Å; Y18-F358 AromaticContact CD2-CD1 3.52Å; Y18-F358 HydrophobicContact CD2-CD1 3.52Å; Y18-F358 AromaticContact CD2-CE1 3.58Å; Y18-F358 HydrophobicContact CD2-CE1 3.58Å; Y18-F358 AromaticContact CE2-CD1 3.78Å; Y18-F358 HydrophobicContact CE2-CD1 3.78Å; Y18-F358 HydrophobicContact CE2-CE1 4.01Å; Y18-F358 HydrophobicContact CG-CD1 4.29Å; Y18-P359 HydrophobicContact CD1-CG 3.41Å; Y18-P359 VanDerWaalsContact CD1-CG 3.41Å; Y18-P359 HydrophobicContact CE1-CG 3.34Å; Y18-P359 HydrophobicContact CG-CG 4.32Å; Y18-F362 HydrophobicContact CE2-CB 4.15Å; Y18-F362 AromaticContact CE2-CD2 3.6Å; Y18-F362 HydrophobicContact CE2-CD2 3.6Å; Y18-F362 HydrophobicContact CE2-CE2 4.43Å; Y18-F362 HydrophobicContact CE2-CG 4.22Å; Y18-F362 AromaticContact CZ-CD2 3.98Å; Y18-F362 WeakPolarHBondContact OH-CA 3.38Å |
| 19 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.3 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G15 M16 H17 S23 V383 V386 A387 L390 | G15-A19 WeakPolarHBondContact O-CB 3.44Å; G15-A19 PolarHBondContact O-N 3.26Å; M16-A19 WeakPolarHBondContact O-CB 3.29Å; M16-A19 PolarHBondContact O-N 2.7Å; H17-A19 VanDerWaalsContact C-N 3.31Å; H17-A19 PolarHBondContact O-N 3.11Å; A19-S23 VanDerWaalsContact O-CB 3.29Å; A19-S23 WeakPolarHBondContact O-CB 3.47Å; A19-S23 PolarHBondContact O-N 2.78Å; A19-V383 HydrophobicContact CB-CG1 4.27Å; A19-V383 WeakPolarHBondContact CB-O 3.47Å; A19-V386 HydrophobicContact CB-CB 3.56Å; A19-V386 HydrophobicContact CB-CG1 3.44Å; A19-V386 VanDerWaalsContact CB-CG1 3.44Å; A19-A387 HydrophobicContact CB-CB 4.39Å; A19-A387 WeakPolarHBondContact O-CB 3.38Å; A19-L390 HydrophobicContact CB-CD1 4.21Å |
| 20 | L | 97.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 173.2 | -169.3 | 70.4 | 0 | 0 | 0 | 111.4 | V6 M16 H17 Y18 S23 A27 V29 M74 L390 | V6-L20 HydrophobicContact CB-CD2 4.31Å; V6-L20 HydrophobicContact CG2-CD1 4.38Å; V6-L20 HydrophobicContact CG2-CD2 3.82Å; M16-L20 PolarHBondContact O-N 3.31Å; H17-L20 WeakPolarHBondContact O-CB 3.37Å; H17-L20 PolarHBondContact O-N 3.2Å; Y18-L20 VanDerWaalsContact C-N 3.3Å; Y18-L20 PolarHBondContact O-N 3.34Å; L20-S23 PolarHBondContact O-N 3.49Å; L20-S23 PolarHBondContact O-OG 3.31Å; L20-A27 HydrophobicContact CD1-CB 3.74Å; L20-A27 HydrophobicContact CD2-CB 3.81Å; L20-A27 HydrophobicContact CG-CB 3.97Å; L20-V29 HydrophobicContact CD2-CG2 3.94Å; L20-M74 HydrophobicContact CB-CE 4.03Å; L20-M74 HydrophobicContact CB-SD 4.49Å; L20-M74 HydrophobicContact CD1-CE 4.49Å; L20-M74 HydrophobicContact CD1-SD 4.4Å; L20-M74 HydrophobicContact CD2-CE 4.13Å; L20-M74 HydrophobicContact CG-CE 4.46Å; L20-L390 HydrophobicContact CB-CD1 4.39Å; L20-L390 HydrophobicContact CD1-CD1 4.21Å |
| 21 | K | 96.7 | Very high | 96.8 | Very high | 126 Ų | 126 | 28.8 Ų | 28.8 | 55% | 0.548 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 174.8 | -72.2 | -178.1 | 175.6 | -177.8 | 0 | 112 | H17 Y18 S23 G24 F47 | H17-K21 WeakPolarHBondContact NE2-CE 3.44Å; H17-K21 PolarHBondContact O-N 3.48Å; Y18-K21 PolarHBondContact O-N 3.23Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.17Å; K21-G24 PolarHBondContact O-N 2.94Å; K21-F47 HydrophobicContact CD-CE1 4.13Å |
| 22 | E | 95.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 28.5 Ų | 28.5 | 38% | 0.383 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.2 | -30.6 | 178.2 | -176.1 | 64.5 | -163.2 | 0 | 0 | 112.6 | Y18 G24 V383 L384 A387 | Y18-E22 VanDerWaalsContact O-CB 3.3Å; Y18-E22 WeakPolarHBondContact O-CB 3.49Å; Y18-E22 PolarHBondContact O-N 2.93Å; E22-G24 PolarHBondContact O-N 2.92Å; E22-V383 HydrophobicContact CB-CG1 4.34Å; E22-L384 HydrophobicContact CG-CD2 4.12Å; E22-A387 HydrophobicContact CB-CB 3.76Å; E22-A387 HydrophobicContact CG-CB 3.59Å |
| 23 | S | 94.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -24.5 | 178.3 | 75.2 | 0 | 0 | 0 | 0 | 113.5 | A19 L20 K21 I25 Q391 | A19-S23 VanDerWaalsContact O-CB 3.29Å; A19-S23 WeakPolarHBondContact O-CB 3.47Å; A19-S23 PolarHBondContact O-N 2.78Å; L20-S23 PolarHBondContact O-N 3.49Å; L20-S23 PolarHBondContact O-OG 3.31Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.17Å; S23-I25 VanDerWaalsContact C-N 3.26Å; S23-I25 PolarHBondContact O-N 2.99Å; S23-I25 WeakPolarHBondContact OG-CD1 3.07Å; S23-I25 VanDerWaalsContact OG-CG1 3.27Å; S23-I25 WeakPolarHBondContact OG-CG1 3.29Å; S23-I25 PolarHBondContact OG-N 3.35Å; S23-Q391 VanDerWaalsContact O-CG 3.28Å; S23-Q391 WeakPolarHBondContact O-CG 3.13Å; S23-Q391 PolarHBondContact O-NE2 3.33Å |
| 24 | G | 92.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 28.8 Ų | 28.8 | 71% | 0.711 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 2.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K21 E22 | K21-G24 PolarHBondContact O-N 2.94Å; E22-G24 PolarHBondContact O-N 2.92Å |
| 25 | I | 90.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 34 Ų | 34 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | trans | -67.5 | 137.5 | 179.9 | -60.5 | 167.8 | 0 | 0 | 0 | 110.4 | L4 S23 A27 L390 | L4-I25 HydrophobicContact CD1-CG2 3.93Å; S23-I25 VanDerWaalsContact C-N 3.26Å; S23-I25 PolarHBondContact O-N 2.99Å; S23-I25 WeakPolarHBondContact OG-CD1 3.07Å; S23-I25 VanDerWaalsContact OG-CG1 3.27Å; S23-I25 WeakPolarHBondContact OG-CG1 3.29Å; S23-I25 PolarHBondContact OG-N 3.35Å; I25-A27 VanDerWaalsContact C-N 3.32Å; I25-A27 HydrophobicContact CG2-CB 4.03Å; I25-A27 PolarHBondContact O-N 3.06Å; I25-L390 HydrophobicContact CD1-CB 3.78Å; I25-L390 WeakPolarHBondContact CD1-O 3.36Å | ||
| 26 | S | 92.5 | Very high | 96.6 | Very high | 83 Ų | 83 | 36.5 Ų | 36.5 | 58% | 0.58 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -70.9 | 87.7 | 170.8 | -163.3 | 0 | 0 | 0 | 0 | 110.6 | S3 L4 | S3-S26 WeakPolarHBondContact CA-O 3.26Å; L4-S26 PolarHBondContact N-O 3.25Å |
| 27 | A | 93.7 | Very high | 96.5 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 21% | 0.207 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 155.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S3 L4 V6 L20 I25 | S3-A27 VanDerWaalsContact OG-C 3.31Å; S3-A27 VanDerWaalsContact OG-CA 3.3Å; S3-A27 WeakPolarHBondContact OG-CA 3.5Å; S3-A27 PolarHBondContact OG-N 3.22Å; L4-A27 HydrophobicContact CB-CB 3.92Å; L4-A27 CarbonylContact O-C 3.3Å; L4-A27 VanDerWaalsContact O-CA 3.26Å; L4-A27 WeakPolarHBondContact O-CA 3.48Å; V6-A27 HydrophobicContact CG2-CB 3.94Å; L20-A27 HydrophobicContact CD1-CB 3.74Å; L20-A27 HydrophobicContact CD2-CB 3.81Å; L20-A27 HydrophobicContact CG-CB 3.97Å; I25-A27 VanDerWaalsContact C-N 3.32Å; I25-A27 HydrophobicContact CG2-CB 4.03Å; I25-A27 PolarHBondContact O-N 3.06Å |
| 28 | Q | 96.4 | Very high | 96.5 | Very high | 93 Ų | 93 | 41.2 Ų | 41.2 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.8 | 178.2 | 58 | -179.6 | -24 | 0 | 0 | 110.7 | S3 L4 V6 V30 | S3-Q28 PolarHBondContact OG-N 2.93Å; L4-Q28 PolarHBondContact O-N 3.4Å; V6-Q28 PolarHBondContact N-O 3.26Å; Q28-V30 HydrophobicContact CG-CG1 4.05Å; Q28-V30 PolarHBondContact O-N 2.87Å |
| 29 | V | 98.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 110.6 | 172.2 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | V6 E8 H17 L20 A32 T50 | V6-V29 CarbonylContact O-C 3.54Å; V6-V29 WeakPolarHBondContact O-CA 3.41Å; E8-V29 HydrophobicContact CB-CG1 3.99Å; H17-V29 HydrophobicContact CB-CG2 4.31Å; L20-V29 HydrophobicContact CD2-CG2 3.94Å; V29-A32 HydrophobicContact CG1-CB 4.22Å; V29-T50 HydrophobicContact CB-CG2 3.96Å; V29-T50 HydrophobicContact CG1-CG2 3.79Å |
| 30 | V | 98.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -23.3 | -177.2 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | R5 V6 Q28 P51 L68 F70 | R5-V30 HydrophobicContact CB-CG1 3.75Å; R5-V30 HydrophobicContact CB-CG2 4.35Å; R5-V30 HydrophobicContact CG-CG1 4.01Å; V6-V30 WeakPolarHBondContact O-CG2 3.38Å; V6-V30 PolarHBondContact O-N 3.21Å; Q28-V30 HydrophobicContact CG-CG1 4.05Å; Q28-V30 PolarHBondContact O-N 2.87Å; V30-P51 WeakPolarHBondContact O-CG 3.37Å; V30-L68 HydrophobicContact CB-CD2 4.5Å; V30-L68 HydrophobicContact CG2-CB 4.19Å; V30-L68 HydrophobicContact CG2-CD2 4.24Å; V30-F70 HydrophobicContact CG2-CB 4.28Å |
| 31 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 138.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L7 E8 P51 W53 L68 | L7-A31 HydrophobicContact CD1-CB 4Å; E8-A31 PolarHBondContact N-O 3.17Å; A31-P51 CarbonylContact C-O 3.57Å; A31-P51 WeakPolarHBondContact CA-O 3.41Å; A31-W53 HydrophobicContact CB-CD2 4.25Å; A31-W53 HydrophobicContact CB-CE3 4.36Å; A31-W53 HydrophobicContact CB-CH2 4.36Å; A31-W53 HydrophobicContact CB-CZ2 4.21Å; A31-W53 HydrophobicContact CB-CZ3 4.41Å; A31-L68 HydrophobicContact CB-CD1 3.61Å; A31-L68 HydrophobicContact CB-CD2 3.97Å; A31-L68 HydrophobicContact CB-CG 4.46Å |
| 32 | A | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E8 V29 Y43 P51 L52 W53 | E8-A32 HydrophobicContact CB-CB 4.33Å; E8-A32 CarbonylContact O-C 3.52Å; E8-A32 WeakPolarHBondContact O-CA 3.32Å; V29-A32 HydrophobicContact CG1-CB 4.22Å; A32-Y43 HydrophobicContact CB-CE1 3.93Å; A32-Y43 HydrophobicContact CB-CE2 3.88Å; A32-Y43 VanDerWaalsContact CB-CZ 3.45Å; A32-Y43 VanDerWaalsContact CB-OH 3.31Å; A32-Y43 WeakPolarHBondContact CB-OH 3.34Å; A32-P51 PolarHBondContact N-O 3.06Å; A32-L52 HydrophobicContact CB-CD1 3.68Å; A32-L52 WeakPolarHBondContact O-CA 2.93Å; A32-W53 PolarHBondContact O-N 2.99Å |
| 33 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 122 | -174.8 | -168.6 | 0 | 0 | 0 | 0 | 111 | L7 E8 L9 Y10 S11 W53 I57 I60 | L7-V33 HydrophobicContact CD1-CG2 4.27Å; E8-V33 PolarHBondContact O-N 3.3Å; L9-V33 HydrophobicContact CD2-CB 3.94Å; L9-V33 HydrophobicContact CD2-CG2 3.74Å; Y10-V33 WeakPolarHBondContact CA-O 3.42Å; Y10-V33 PolarHBondContact N-O 2.95Å; S11-V33 PolarHBondContact N-O 2.93Å; V33-W53 HydrophobicContact CG2-CB 4.31Å; V33-W53 HydrophobicContact CG2-CE3 3.96Å; V33-I57 HydrophobicContact CG1-CG1 3.97Å; V33-I60 HydrophobicContact CG1-CD1 3.81Å; V33-I60 HydrophobicContact CG2-CD1 4.15Å |
| 34 | D | 98.2 | Very high | 97 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | trans | -153 | 151.2 | 168.3 | -156.5 | -61 | 0 | 0 | 0 | 110 | G12 N36 N40 W53 N54 | G12-D34 WeakPolarHBondContact CA-OD2 3.26Å; G12-D34 PolarHBondContact N-OD2 2.89Å; D34-N36 WeakPolarHBondContact OD1-CB 3.49Å; D34-N36 PolarHBondContact OD1-N 3.15Å; D34-N40 PolarHBondContact O-ND2 3.03Å; D34-W53 PolarHBondContact N-O 2.93Å; D34-N54 WeakPolarHBondContact O-CA 3.49Å | ||
| 35 | I | 96.4 | Very high | 97.3 | Very high | 109 Ų | 109 | 41.2 Ų | 41.2 | 56% | 0.559 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -89.7 | -17.4 | 176.7 | -162.8 | 178.2 | 0 | 0 | 0 | 112.3 | T37 N54 T56 | I35-T37 PolarHBondContact O-N 3.27Å; I35-N54 PolarHBondContact O-OD1 3.43Å; I35-T56 HydrophobicContact CD1-CG2 3.63Å |
| 36 | N | 96.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 41 Ų | 41 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | trans | -79.5 | 105.6 | -172.7 | -168.5 | -59.8 | 0 | 0 | 0 | 111.1 | D34 T38 A39 N40 | D34-N36 WeakPolarHBondContact OD1-CB 3.49Å; D34-N36 PolarHBondContact OD1-N 3.15Å; N36-T38 VanDerWaalsContact C-N 3.25Å; N36-T38 PolarHBondContact O-N 3.06Å; N36-T38 WeakPolarHBondContact OD1-CB 3.43Å; N36-T38 PolarHBondContact OD1-N 3.37Å; N36-T38 VanDerWaalsContact OD1-N 3.07Å; N36-A39 HydrophobicContact CB-CB 3.84Å; N36-A39 PolarHBondContact O-N 2.71Å; N36-A39 VanDerWaalsContact O-N 3.1Å; N36-A39 PolarHBondContact OD1-N 3.26Å; N36-N40 WeakPolarHBondContact O-CB 3.38Å; N36-N40 PolarHBondContact O-N 3.24Å; N36-N40 PolarHBondContact O-ND2 2.86Å | ||
| 37 | T | 97.9 | Very high | 98 | Very high | 96 Ų | 96 | 37.3 Ų | 37.3 | 59% | 0.589 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -58.4 | -32.1 | -179.3 | 58 | 0 | 0 | 0 | 0 | 114.1 | I35 K41 | I35-T37 PolarHBondContact O-N 3.27Å; T37-K41 WeakPolarHBondContact O-CB 3.47Å; T37-K41 PolarHBondContact O-N 2.98Å; T37-K41 VanDerWaalsContact O-N 3.1Å |
| 38 | T | 98.2 | Very high | 98.2 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 13% | 0.129 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.6 | -46.2 | 175.4 | -49.9 | 0 | 0 | 0 | 0 | 110.7 | N36 K41 I42 I368 Q372 | N36-T38 VanDerWaalsContact C-N 3.25Å; N36-T38 PolarHBondContact O-N 3.06Å; N36-T38 WeakPolarHBondContact OD1-CB 3.43Å; N36-T38 PolarHBondContact OD1-N 3.37Å; N36-T38 VanDerWaalsContact OD1-N 3.07Å; T38-K41 PolarHBondContact O-N 3.14Å; T38-I42 HydrophobicContact CG2-CD1 4.38Å; T38-I42 WeakPolarHBondContact O-CG1 3.34Å; T38-I42 PolarHBondContact O-N 3.2Å; T38-I368 HydrophobicContact CG2-CD1 4.18Å; T38-Q372 HydrophobicContact CG2-CB 4.19Å; T38-Q372 HydrophobicContact CG2-CG 4.38Å |
| 39 | A | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -46.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G12 I13 N36 K41 I42 Y43 | G12-A39 CarbonylContact O-C 3.48Å; G12-A39 VanDerWaalsContact O-C 3.3Å; G12-A39 VanDerWaalsContact O-CB 3.28Å; G12-A39 WeakPolarHBondContact O-CB 3.45Å; I13-A39 HydrophobicContact CG2-CB 4.29Å; N36-A39 HydrophobicContact CB-CB 3.84Å; N36-A39 PolarHBondContact O-N 2.71Å; N36-A39 VanDerWaalsContact O-N 3.1Å; N36-A39 PolarHBondContact OD1-N 3.26Å; A39-K41 PolarHBondContact O-N 3.08Å; A39-I42 CarbonylContact O-C 3.54Å; A39-I42 PolarHBondContact O-N 2.83Å; A39-Y43 PolarHBondContact O-N 3.47Å |
| 40 | N | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -32.7 | 174.4 | -78.2 | -27.8 | 0 | 0 | 0 | 114.1 | D34 N36 R44 L52 N54 | D34-N40 PolarHBondContact O-ND2 3.03Å; N36-N40 WeakPolarHBondContact O-CB 3.38Å; N36-N40 PolarHBondContact O-N 3.24Å; N36-N40 PolarHBondContact O-ND2 2.86Å; N40-R44 WeakPolarHBondContact O-CB 3.27Å; N40-R44 PolarHBondContact O-N 3.2Å; N40-R44 VanDerWaalsContact O-N 3.1Å; N40-L52 HydrophobicContact CB-CD2 4.03Å; N40-L52 VanDerWaalsContact O-CD2 3.3Å; N40-L52 WeakPolarHBondContact O-CD2 3.14Å; N40-L52 WeakPolarHBondContact OD1-CD1 3.37Å; N40-N54 PolarHBondContact ND2-OD1 2.62Å |
| 41 | K | 98.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 46 Ų | 46 | 39% | 0.391 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.9 | -42.3 | 174.9 | -175 | 170.2 | 173.5 | 170.4 | 0 | 111.4 | T37 T38 A39 H45 P365 D367 I368 | T37-K41 WeakPolarHBondContact O-CB 3.47Å; T37-K41 PolarHBondContact O-N 2.98Å; T37-K41 VanDerWaalsContact O-N 3.1Å; T38-K41 PolarHBondContact O-N 3.14Å; A39-K41 PolarHBondContact O-N 3.08Å; K41-H45 WeakPolarHBondContact O-CB 3.17Å; K41-H45 PolarHBondContact O-N 2.94Å; K41-H45 VanDerWaalsContact O-N 3.13Å; K41-P365 HydrophobicContact CG-CG 4.18Å; K41-D367 WeakPolarHBondContact CE-OD1 3.39Å; K41-D367 IonicContact NZ-OD1 2.71Å; K41-D367 PolarHBondContact NZ-OD1 2.89Å; K41-D367 IonicContact NZ-OD2 2.66Å; K41-D367 PolarHBondContact NZ-OD2 3.25Å; K41-I368 HydrophobicContact CD-CD1 4.2Å |
| 42 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.6 | -40.6 | 177.2 | -60.6 | 161.7 | 0 | 0 | 0 | 110.7 | I13 T38 A39 H45 N46 F362 F364 P365 I368 V376 | I13-I42 HydrophobicContact CB-CG2 4Å; I13-I42 HydrophobicContact CG2-CB 3.98Å; I13-I42 HydrophobicContact CG2-CD1 4.06Å; I13-I42 HydrophobicContact CG2-CG2 3.81Å; T38-I42 HydrophobicContact CG2-CD1 4.38Å; T38-I42 WeakPolarHBondContact O-CG1 3.34Å; T38-I42 PolarHBondContact O-N 3.2Å; A39-I42 CarbonylContact O-C 3.54Å; A39-I42 PolarHBondContact O-N 2.83Å; I42-H45 WeakPolarHBondContact O-CB 3.36Å; I42-H45 PolarHBondContact O-N 2.98Å; I42-N46 PolarHBondContact O-N 3.48Å; I42-N46 PolarHBondContact O-ND2 2.92Å; I42-F362 HydrophobicContact CG2-CE2 3.93Å; I42-F362 HydrophobicContact CG2-CZ 4.19Å; I42-F364 HydrophobicContact CD1-CD1 3.91Å; I42-F364 HydrophobicContact CD1-CE1 4.16Å; I42-F364 HydrophobicContact CG1-CD1 4.17Å; I42-F364 HydrophobicContact CG2-CD1 4.01Å; I42-F364 HydrophobicContact CG2-CE1 4.27Å; I42-P365 HydrophobicContact CG1-CG 4.44Å; I42-I368 HydrophobicContact CD1-CG1 4.31Å; I42-I368 HydrophobicContact CD1-CG2 4.04Å; I42-I368 HydrophobicContact CG1-CD1 4.44Å; I42-I368 HydrophobicContact CG1-CG1 3.98Å; I42-V376 HydrophobicContact CD1-CG1 4.27Å; I42-V376 HydrophobicContact CD1-CG2 3.76Å |
| 43 | Y | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.2 | -55.2 | 174.3 | -168.8 | -67.8 | 0 | 0 | 0 | 110.5 | E8 G14 H17 A32 A39 H45 N46 F47 T50 L52 | E8-Y43 WeakPolarHBondContact OE2-CE2 3.33Å; E8-Y43 VanDerWaalsContact OE2-CZ 3.27Å; E8-Y43 PolarHBondContact OE2-OH 3.3Å; G14-Y43 VanDerWaalsContact CA-CE2 3.42Å; H17-Y43 AromaticContact ND1-CZ 3.75Å; H17-Y43 PolarHBondContact ND1-OH 2.82Å; A32-Y43 HydrophobicContact CB-CE1 3.93Å; A32-Y43 HydrophobicContact CB-CE2 3.88Å; A32-Y43 VanDerWaalsContact CB-CZ 3.45Å; A32-Y43 VanDerWaalsContact CB-OH 3.31Å; A32-Y43 WeakPolarHBondContact CB-OH 3.34Å; A39-Y43 PolarHBondContact O-N 3.47Å; Y43-H45 VanDerWaalsContact C-N 3.25Å; Y43-H45 PolarHBondContact O-N 2.86Å; Y43-N46 PolarHBondContact O-N 3.11Å; Y43-F47 HydrophobicContact CD1-CB 3.96Å; Y43-F47 HydrophobicContact CD1-CD2 4.01Å; Y43-F47 HydrophobicContact CD1-CG 4.41Å; Y43-F47 HydrophobicContact CE1-CB 3.63Å; Y43-F47 AromaticContact CE1-CD2 3.91Å; Y43-F47 HydrophobicContact CE1-CD2 3.91Å; Y43-F47 HydrophobicContact CE1-CG 4.02Å; Y43-F47 HydrophobicContact CE2-CD2 4.4Å; Y43-F47 HydrophobicContact CG-CD2 4.3Å; Y43-F47 WeakPolarHBondContact O-CD2 3.44Å; Y43-F47 PolarHBondContact O-N 2.85Å; Y43-T50 HydrophobicContact CE1-CG2 4.01Å; Y43-L52 HydrophobicContact CD1-CD1 4.08Å; Y43-L52 HydrophobicContact CD1-CD2 3.82Å; Y43-L52 HydrophobicContact CD1-CG 4.38Å; Y43-L52 HydrophobicContact CE1-CD1 4.42Å; Y43-L52 HydrophobicContact CG-CD1 4.17Å; Y43-L52 HydrophobicContact CG-CD2 4.05Å |
| 44 | R | 98.6 | Very high | 98.1 | Very high | 117 Ų | 117 | 53.6 Ų | 53.6 | 44% | 0.442 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63 | -29.1 | -178.5 | -178.5 | 172.4 | -75.3 | 99.2 | -1.7 | 113.5 | N40 N46 F47 P48 L52 | N40-R44 WeakPolarHBondContact O-CB 3.27Å; N40-R44 PolarHBondContact O-N 3.2Å; N40-R44 VanDerWaalsContact O-N 3.1Å; R44-N46 VanDerWaalsContact C-N 3.34Å; R44-F47 CarbonylContact O-C 3.59Å; R44-P48 VanDerWaalsContact O-CA 3.26Å; R44-P48 WeakPolarHBondContact O-CA 3.31Å; R44-L52 HydrophobicContact CB-CD2 4.18Å; R44-L52 PolarHBondContact NH2-O 2.93Å |
| 45 | H | 98.6 | Very high | 98 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 173.2 | 176.8 | 92.8 | 0 | 0 | 0 | 112.5 | K41 I42 Y43 S363 P365 | K41-H45 WeakPolarHBondContact O-CB 3.17Å; K41-H45 PolarHBondContact O-N 2.94Å; K41-H45 VanDerWaalsContact O-N 3.13Å; I42-H45 WeakPolarHBondContact O-CB 3.36Å; I42-H45 PolarHBondContact O-N 2.98Å; Y43-H45 VanDerWaalsContact C-N 3.25Å; Y43-H45 PolarHBondContact O-N 2.86Å; H45-S363 PolarHBondContact CD2-O 3.01Å; H45-S363 PolarHBondContact CD2-OG 3.17Å; H45-S363 PolarHBondContact NE2-OG 2.8Å; H45-P365 HydrophobicContact CB-CG 3.81Å |
| 46 | N | 98.7 | Very high | 97.9 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -92.4 | -21.1 | -178.6 | -69.2 | -79.3 | 0 | 0 | 0 | 113.7 | Y18 I42 Y43 R44 F362 S363 | Y18-N46 HydrophobicContact CE2-CB 4.46Å; Y18-N46 WeakPolarHBondContact OH-CB 3.5Å; Y18-N46 PolarHBondContact OH-OD1 3.38Å; Y18-N46 VanDerWaalsContact OH-OD1 3.09Å; I42-N46 PolarHBondContact O-N 3.48Å; I42-N46 PolarHBondContact O-ND2 2.92Å; Y43-N46 PolarHBondContact O-N 3.11Å; R44-N46 VanDerWaalsContact C-N 3.34Å; N46-F362 WeakPolarHBondContact OD1-CA 3.33Å; N46-S363 PolarHBondContact ND2-O 3.42Å; N46-S363 PolarHBondContact OD1-N 2.76Å; N46-S363 PolarHBondContact OD1-O 3.47Å |
| 47 | F | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.022 | 27% | 0.27 | C | S | . | . | trans | -136.9 | 66.1 | -177.1 | -54.7 | -81.4 | 0 | 0 | 0 | 110.6 | H17 Y18 K21 Y43 R44 D49 T50 | H17-F47 HydrophobicContact CB-CE1 3.95Å; H17-F47 HydrophobicContact CB-CE2 4.2Å; H17-F47 HydrophobicContact CB-CZ 3.75Å; H17-F47 AromaticContact CD2-CD1 3.83Å; H17-F47 AromaticContact CD2-CE1 3.4Å; H17-F47 VanDerWaalsContact CD2-CE1 3.4Å; H17-F47 WeakPolarHBondContact CD2-CE1 3.37Å; H17-F47 AromaticContact CE1-CD1 3.32Å; H17-F47 WeakPolarHBondContact CE1-CD1 3.27Å; H17-F47 AromaticContact CE1-CE1 3.74Å; H17-F47 AromaticContact CE1-CG 3.95Å; H17-F47 AromaticContact CG-CD1 3.7Å; H17-F47 AromaticContact CG-CE1 3.36Å; H17-F47 AromaticContact CG-CZ 3.71Å; H17-F47 AromaticContact ND1-CD1 3.36Å; H17-F47 WeakPolarHBondContact ND1-CD1 3.22Å; H17-F47 AromaticContact ND1-CE1 3.58Å; H17-F47 AromaticContact ND1-CG 3.72Å; H17-F47 AromaticContact NE2-CD1 3.59Å; H17-F47 AromaticContact NE2-CE1 3.63Å; Y18-F47 AromaticContact CD1-CZ 3.93Å; Y18-F47 HydrophobicContact CD1-CZ 3.93Å; Y18-F47 AromaticContact CD2-CE2 3.9Å; Y18-F47 HydrophobicContact CD2-CE2 3.9Å; Y18-F47 AromaticContact CD2-CZ 3.56Å; Y18-F47 HydrophobicContact CD2-CZ 3.56Å; Y18-F47 HydrophobicContact CE1-CE1 4.38Å; Y18-F47 AromaticContact CE1-CZ 3.83Å; Y18-F47 HydrophobicContact CE1-CZ 3.83Å; Y18-F47 AromaticContact CE2-CE2 3.52Å; Y18-F47 HydrophobicContact CE2-CE2 3.52Å; Y18-F47 AromaticContact CE2-CZ 3.43Å; Y18-F47 HydrophobicContact CE2-CZ 3.43Å; Y18-F47 VanDerWaalsContact CE2-CZ 3.43Å; Y18-F47 AromaticContact CG-CZ 3.82Å; Y18-F47 HydrophobicContact CG-CZ 3.82Å; Y18-F47 AromaticContact CZ-CE2 3.95Å; Y18-F47 AromaticContact CZ-CZ 3.59Å; K21-F47 HydrophobicContact CD-CE1 4.13Å; Y43-F47 HydrophobicContact CD1-CB 3.96Å; Y43-F47 HydrophobicContact CD1-CD2 4.01Å; Y43-F47 HydrophobicContact CD1-CG 4.41Å; Y43-F47 HydrophobicContact CE1-CB 3.63Å; Y43-F47 AromaticContact CE1-CD2 3.91Å; Y43-F47 HydrophobicContact CE1-CD2 3.91Å; Y43-F47 HydrophobicContact CE1-CG 4.02Å; Y43-F47 HydrophobicContact CE2-CD2 4.4Å; Y43-F47 HydrophobicContact CG-CD2 4.3Å; Y43-F47 WeakPolarHBondContact O-CD2 3.44Å; Y43-F47 PolarHBondContact O-N 2.85Å; R44-F47 CarbonylContact O-C 3.59Å; F47-D49 VanDerWaalsContact C-N 3.33Å; F47-D49 PolarHBondContact O-N 3.4Å; F47-T50 PolarHBondContact O-N 2.83Å | ||
| 48 | P | 98 | Very high | 97.6 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -35.3 | -171.7 | 24.5 | -34.2 | 0 | 0 | 0 | 113.5 | R44 T50 | R44-P48 VanDerWaalsContact O-CA 3.26Å; R44-P48 WeakPolarHBondContact O-CA 3.31Å; P48-T50 VanDerWaalsContact C-N 3.34Å |
| 49 | D | 97.6 | Very high | 97.4 | Very high | 154 Ų | 154 | 51.3 Ų | 51.3 | 82% | 0.824 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -4.9 | -175.8 | -49.9 | -64.6 | 0 | 0 | 0 | 113.8 | F47 | F47-D49 VanDerWaalsContact C-N 3.33Å; F47-D49 PolarHBondContact O-N 3.4Å |
| 50 | T | 98.3 | Very high | 97.2 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -86.1 | 128.1 | -176.5 | -58 | 0 | 0 | 0 | 0 | 111.2 | H17 V29 Y43 F47 P48 L52 | H17-T50 PolarHBondContact CE1-OG1 3.08Å; V29-T50 HydrophobicContact CB-CG2 3.96Å; V29-T50 HydrophobicContact CG1-CG2 3.79Å; Y43-T50 HydrophobicContact CE1-CG2 4.01Å; F47-T50 PolarHBondContact O-N 2.83Å; P48-T50 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 2.87Å |
| 51 | P | 98.3 | Very high | 97.1 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 41% | 0.409 | 29% | 0.289 | S | S | . | . | trans | -60.4 | 109.6 | 176.6 | -24.5 | 35.3 | 0 | 0 | 0 | 111.5 | V30 A31 A32 | V30-P51 WeakPolarHBondContact O-CG 3.37Å; A31-P51 CarbonylContact C-O 3.57Å; A31-P51 WeakPolarHBondContact CA-O 3.41Å; A32-P51 PolarHBondContact N-O 3.06Å | ||
| 52 | L | 98.5 | Very high | 97 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 111.2 | -176.7 | 177.2 | 66.1 | 0 | 0 | 0 | 111.2 | A32 N40 Y43 R44 T50 | A32-L52 HydrophobicContact CB-CD1 3.68Å; A32-L52 WeakPolarHBondContact O-CA 2.93Å; N40-L52 HydrophobicContact CB-CD2 4.03Å; N40-L52 VanDerWaalsContact O-CD2 3.3Å; N40-L52 WeakPolarHBondContact O-CD2 3.14Å; N40-L52 WeakPolarHBondContact OD1-CD1 3.37Å; Y43-L52 HydrophobicContact CD1-CD1 4.08Å; Y43-L52 HydrophobicContact CD1-CD2 3.82Å; Y43-L52 HydrophobicContact CD1-CG 4.38Å; Y43-L52 HydrophobicContact CE1-CD1 4.42Å; Y43-L52 HydrophobicContact CG-CD1 4.17Å; Y43-L52 HydrophobicContact CG-CD2 4.05Å; R44-L52 HydrophobicContact CB-CD2 4.18Å; R44-L52 PolarHBondContact NH2-O 2.93Å; T50-L52 PolarHBondContact O-N 2.87Å |
| 53 | W | 98.1 | Very high | 96.9 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 22% | 0.22 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 104.2 | -177.4 | -63.7 | -6.6 | 0 | 0 | 0 | 111.2 | A31 A32 V33 D34 K55 I60 D64 L68 | A31-W53 HydrophobicContact CB-CD2 4.25Å; A31-W53 HydrophobicContact CB-CE3 4.36Å; A31-W53 HydrophobicContact CB-CH2 4.36Å; A31-W53 HydrophobicContact CB-CZ2 4.21Å; A31-W53 HydrophobicContact CB-CZ3 4.41Å; A32-W53 PolarHBondContact O-N 2.99Å; V33-W53 HydrophobicContact CG2-CB 4.31Å; V33-W53 HydrophobicContact CG2-CE3 3.96Å; D34-W53 PolarHBondContact N-O 2.93Å; W53-K55 VanDerWaalsContact C-N 3.3Å; W53-K55 PolarHBondContact O-N 3.19Å; W53-I60 HydrophobicContact CE3-CD1 3.72Å; W53-I60 HydrophobicContact CE3-CG1 4.28Å; W53-I60 HydrophobicContact CE3-CG2 4.34Å; W53-I60 HydrophobicContact CZ3-CD1 4.11Å; W53-I60 HydrophobicContact CZ3-CG2 3.78Å; W53-D64 HydrophobicContact CH2-CB 4.33Å; W53-L68 HydrophobicContact CH2-CD1 3.59Å; W53-L68 HydrophobicContact CH2-CD2 4.06Å; W53-L68 HydrophobicContact CH2-CG 3.9Å; W53-L68 HydrophobicContact CZ2-CD1 4.3Å; W53-L68 HydrophobicContact CZ2-CD2 4.03Å; W53-L68 HydrophobicContact CZ2-CG 4.39Å; W53-L68 HydrophobicContact CZ3-CD1 3.98Å |
| 54 | N | 97.3 | Very high | 96.8 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | trans | -78.4 | 79.2 | 170.4 | -173.7 | 11.8 | 0 | 0 | 0 | 110.1 | D34 I35 N40 | D34-N54 WeakPolarHBondContact O-CA 3.49Å; I35-N54 PolarHBondContact O-OD1 3.43Å; N40-N54 PolarHBondContact ND2-OD1 2.62Å | ||
| 55 | K | 94.9 | Very high | 96.7 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 37% | 0.365 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -143.1 | 157.8 | -176 | -67.3 | -176 | 177.7 | -179.4 | 0 | 110.7 | W53 I60 | W53-K55 VanDerWaalsContact C-N 3.3Å; W53-K55 PolarHBondContact O-N 3.19Å; K55-I60 HydrophobicContact CB-CG1 4.28Å; K55-I60 HydrophobicContact CD-CG1 3.9Å |
| 56 | T | 94.6 | Very high | 96.6 | Very high | 66 Ų | 66 | 50.9 Ų | 50.9 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | trans | -64.3 | 144.2 | 155.2 | 44.5 | 0 | 0 | 0 | 0 | 109.2 | I35 E58 G59 | I35-T56 HydrophobicContact CD1-CG2 3.63Å; T56-E58 VanDerWaalsContact C-N 3.28Å; T56-E58 PolarHBondContact O-N 2.95Å; T56-G59 PolarHBondContact O-N 3.42Å; T56-G59 PolarHBondContact OG1-N 2.92Å | ||
| 57 | I | 94.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -66.7 | -38.7 | 179.5 | -60.3 | 179.6 | 0 | 0 | 0 | 109.6 | L9 Y10 V33 G59 I60 F65 F101 I102 | L9-I57 HydrophobicContact CB-CD1 4.17Å; L9-I57 HydrophobicContact CD2-CD1 4.36Å; Y10-I57 HydrophobicContact CD1-CD1 3.98Å; Y10-I57 HydrophobicContact CD2-CD1 4.18Å; Y10-I57 HydrophobicContact CE1-CD1 3.52Å; Y10-I57 HydrophobicContact CE2-CD1 3.75Å; Y10-I57 HydrophobicContact CG-CD1 4.31Å; Y10-I57 VanDerWaalsContact CZ-CD1 3.42Å; V33-I57 HydrophobicContact CG1-CG1 3.97Å; I57-G59 PolarHBondContact O-N 3.43Å; I57-G59 VanDerWaalsContact O-N 3.16Å; I57-I60 PolarHBondContact O-N 3.2Å; I57-I60 VanDerWaalsContact O-N 3.14Å; I57-F65 HydrophobicContact CG2-CZ 4.2Å; I57-F101 HydrophobicContact CG2-CD1 4.12Å; I57-F101 HydrophobicContact CG2-CE1 4.38Å; I57-F101 VanDerWaalsContact O-CE1 3.31Å; I57-F101 WeakPolarHBondContact O-CE1 3.31Å; I57-I102 HydrophobicContact CD1-CD1 4.03Å; I57-I102 HydrophobicContact CG2-CD1 4.26Å; I57-I102 HydrophobicContact CG2-CG1 3.85Å |
| 58 | E | 93.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -65.3 | -13.9 | 174.4 | -44.4 | 97 | 116.7 | 0 | 0 | 113.5 | T56 K97 S98 F101 | T56-E58 VanDerWaalsContact C-N 3.28Å; T56-E58 PolarHBondContact O-N 2.95Å; E58-K97 HydrophobicContact CG-CG 4.48Å; E58-S98 WeakPolarHBondContact OE2-CB 3.46Å; E58-F101 HydrophobicContact CB-CD1 4.42Å; E58-F101 HydrophobicContact CB-CD2 4.23Å; E58-F101 HydrophobicContact CB-CG 4.18Å; E58-F101 HydrophobicContact CG-CB 3.87Å; E58-F101 HydrophobicContact CG-CD1 4.32Å; E58-F101 HydrophobicContact CG-CD2 4.35Å; E58-F101 HydrophobicContact CG-CG 3.93Å |
| 59 | G | 93.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -92.6 | 2.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T56 I57 | T56-G59 PolarHBondContact O-N 3.42Å; T56-G59 PolarHBondContact OG1-N 2.92Å; I57-G59 PolarHBondContact O-N 3.43Å; I57-G59 VanDerWaalsContact O-N 3.16Å |
| 60 | I | 95.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -97.3 | 122 | 178.8 | -59.9 | 164.8 | 0 | 0 | 0 | 109 | V33 W53 K55 I57 D64 F65 | V33-I60 HydrophobicContact CG1-CD1 3.81Å; V33-I60 HydrophobicContact CG2-CD1 4.15Å; W53-I60 HydrophobicContact CE3-CD1 3.72Å; W53-I60 HydrophobicContact CE3-CG1 4.28Å; W53-I60 HydrophobicContact CE3-CG2 4.34Å; W53-I60 HydrophobicContact CZ3-CD1 4.11Å; W53-I60 HydrophobicContact CZ3-CG2 3.78Å; K55-I60 HydrophobicContact CB-CG1 4.28Å; K55-I60 HydrophobicContact CD-CG1 3.9Å; I57-I60 PolarHBondContact O-N 3.2Å; I57-I60 VanDerWaalsContact O-N 3.14Å; I60-D64 HydrophobicContact CG2-CB 3.98Å; I60-F65 HydrophobicContact CB-CD2 4.24Å; I60-F65 HydrophobicContact CB-CE2 3.46Å; I60-F65 VanDerWaalsContact CB-CE2 3.46Å; I60-F65 HydrophobicContact CB-CZ 3.75Å; I60-F65 HydrophobicContact CD1-CE1 4.34Å; I60-F65 HydrophobicContact CD1-CE2 4.4Å; I60-F65 HydrophobicContact CD1-CZ 3.77Å; I60-F65 HydrophobicContact CG1-CZ 4.38Å; I60-F65 HydrophobicContact CG2-CD2 3.6Å; I60-F65 HydrophobicContact CG2-CE1 4.27Å; I60-F65 HydrophobicContact CG2-CE2 3.3Å; I60-F65 HydrophobicContact CG2-CG 4.25Å; I60-F65 HydrophobicContact CG2-CZ 3.67Å |
| 61 | P | 95.8 | Very high | 96.2 | Very high | 66 Ų | 66 | 49 Ų | 49 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | trans | -60.3 | 145 | 174.3 | -23.5 | 33.9 | 0 | 0 | 0 | 112.6 | D63 D64 F65 | P61-D63 PolarHBondContact O-N 3.39Å; P61-D64 WeakPolarHBondContact O-CB 3.19Å; P61-D64 PolarHBondContact O-N 2.64Å; P61-F65 PolarHBondContact O-N 3.41Å | ||
| 62 | L | 96.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.2 | -39.5 | 174.6 | 176.6 | 60.1 | 0 | 0 | 0 | 112.2 | D64 F65 N66 L105 R108 L109 | L62-D64 VanDerWaalsContact C-N 3.27Å; L62-D64 PolarHBondContact O-N 3.07Å; L62-F65 WeakPolarHBondContact O-CB 3.44Å; L62-F65 PolarHBondContact O-N 3.41Å; L62-F65 VanDerWaalsContact O-N 3.17Å; L62-N66 PolarHBondContact O-N 3.46Å; L62-N66 PolarHBondContact O-ND2 2.61Å; L62-L105 HydrophobicContact CD1-CD1 4.25Å; L62-L105 HydrophobicContact CD1-CG 4.05Å; L62-R108 HydrophobicContact CD1-CB 4.28Å; L62-R108 HydrophobicContact CD2-CB 3.96Å; L62-L109 HydrophobicContact CD1-CD2 4.12Å |
| 63 | D | 97.1 | Very high | 96.2 | Very high | 105 Ų | 105 | 45.7 Ų | 45.7 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.7 | -30.5 | 177.7 | -64.7 | -19.8 | 0 | 0 | 0 | 113.1 | P61 N66 K67 | P61-D63 PolarHBondContact O-N 3.39Å; D63-N66 PolarHBondContact O-N 3.28Å; D63-K67 WeakPolarHBondContact O-CD 3.49Å; D63-K67 WeakPolarHBondContact O-CE 3.46Å; D63-K67 WeakPolarHBondContact O-CG 3.37Å; D63-K67 PolarHBondContact O-N 2.85Å |
| 64 | D | 97.2 | Very high | 96.2 | Very high | 43 Ų | 43 | 42.9 Ų | 42.9 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.9 | -34.4 | 176.3 | -73.6 | -6.9 | 0 | 0 | 0 | 111.1 | W53 I60 P61 L62 K67 | W53-D64 HydrophobicContact CH2-CB 4.33Å; I60-D64 HydrophobicContact CG2-CB 3.98Å; P61-D64 WeakPolarHBondContact O-CB 3.19Å; P61-D64 PolarHBondContact O-N 2.64Å; L62-D64 VanDerWaalsContact C-N 3.27Å; L62-D64 PolarHBondContact O-N 3.07Å; D64-K67 IonicContact OD1-NZ 2.96Å; D64-K67 PolarHBondContact OD1-NZ 3.1Å |
| 65 | F | 96.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.9 | -44.5 | 168.7 | -71.4 | -74.9 | 0 | 0 | 0 | 111.9 | L7 L9 I57 I60 P61 L62 K67 L68 F70 F101 L105 L109 | L7-F65 HydrophobicContact CD2-CD1 3.78Å; L7-F65 HydrophobicContact CD2-CE1 3.85Å; L9-F65 HydrophobicContact CD2-CE1 4.44Å; I57-F65 HydrophobicContact CG2-CZ 4.2Å; I60-F65 HydrophobicContact CB-CD2 4.24Å; I60-F65 HydrophobicContact CB-CE2 3.46Å; I60-F65 VanDerWaalsContact CB-CE2 3.46Å; I60-F65 HydrophobicContact CB-CZ 3.75Å; I60-F65 HydrophobicContact CD1-CE1 4.34Å; I60-F65 HydrophobicContact CD1-CE2 4.4Å; I60-F65 HydrophobicContact CD1-CZ 3.77Å; I60-F65 HydrophobicContact CG1-CZ 4.38Å; I60-F65 HydrophobicContact CG2-CD2 3.6Å; I60-F65 HydrophobicContact CG2-CE1 4.27Å; I60-F65 HydrophobicContact CG2-CE2 3.3Å; I60-F65 HydrophobicContact CG2-CG 4.25Å; I60-F65 HydrophobicContact CG2-CZ 3.67Å; P61-F65 PolarHBondContact O-N 3.41Å; L62-F65 WeakPolarHBondContact O-CB 3.44Å; L62-F65 PolarHBondContact O-N 3.41Å; L62-F65 VanDerWaalsContact O-N 3.17Å; F65-K67 VanDerWaalsContact C-N 3.32Å; F65-K67 PolarHBondContact O-N 3.03Å; F65-L68 WeakPolarHBondContact O-CB 3.29Å; F65-L68 PolarHBondContact O-N 2.84Å; F65-L68 VanDerWaalsContact O-N 3.09Å; F65-F70 HydrophobicContact CB-CE1 4.23Å; F65-F70 HydrophobicContact CD1-CE1 4.26Å; F65-F101 HydrophobicContact CE2-CE1 4.41Å; F65-L105 HydrophobicContact CD2-CD1 3.45Å; F65-L105 VanDerWaalsContact CD2-CD1 3.45Å; F65-L105 HydrophobicContact CD2-CD2 4.2Å; F65-L105 HydrophobicContact CD2-CG 4.45Å; F65-L105 HydrophobicContact CE2-CD1 3.47Å; F65-L105 VanDerWaalsContact CE2-CD1 3.47Å; F65-L105 HydrophobicContact CE2-CD2 4.49Å; F65-L105 HydrophobicContact CG-CD1 4.31Å; F65-L105 HydrophobicContact CG-CD2 4.26Å; F65-L105 HydrophobicContact CZ-CD1 4.39Å; F65-L109 HydrophobicContact CB-CD2 3.94Å |
| 66 | N | 96.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 36 Ų | 36 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 178.8 | -74.6 | -33.6 | 0 | 0 | 0 | 112.1 | L62 D63 L68 S69 L109 C110 | L62-N66 PolarHBondContact O-N 3.46Å; L62-N66 PolarHBondContact O-ND2 2.61Å; D63-N66 PolarHBondContact O-N 3.28Å; N66-L68 PolarHBondContact O-N 3.37Å; N66-S69 PolarHBondContact O-N 3.37Å; N66-L109 WeakPolarHBondContact OD1-CA 3.35Å; N66-C110 PolarHBondContact ND2-SG 3.39Å; N66-C110 VanDerWaalsContact ND2-SG 3.39Å; N66-C110 PolarHBondContact OD1-N 2.98Å |
| 67 | K | 97.3 | Very high | 96.3 | Very high | 146 Ų | 146 | 33.3 Ų | 33.3 | 64% | 0.635 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -60.5 | -27.4 | 175.1 | -73.1 | 162.8 | -151 | 162.6 | 0 | 113.7 | D63 D64 F65 S69 | D63-K67 WeakPolarHBondContact O-CD 3.49Å; D63-K67 WeakPolarHBondContact O-CE 3.46Å; D63-K67 WeakPolarHBondContact O-CG 3.37Å; D63-K67 PolarHBondContact O-N 2.85Å; D64-K67 IonicContact OD1-NZ 2.96Å; D64-K67 PolarHBondContact OD1-NZ 3.1Å; F65-K67 VanDerWaalsContact C-N 3.32Å; F65-K67 PolarHBondContact O-N 3.03Å; K67-S69 VanDerWaalsContact C-N 3.33Å |
| 68 | L | 96.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.2 | -27.9 | 178 | -68.9 | 176.8 | 0 | 0 | 0 | 112.5 | R5 L7 V30 A31 W53 F65 N66 F70 | R5-L68 VanDerWaalsContact CZ-O 3.27Å; R5-L68 PolarHBondContact NE-O 3.14Å; R5-L68 PolarHBondContact NH2-O 3.27Å; L7-L68 HydrophobicContact CD1-CD1 3.98Å; V30-L68 HydrophobicContact CB-CD2 4.5Å; V30-L68 HydrophobicContact CG2-CB 4.19Å; V30-L68 HydrophobicContact CG2-CD2 4.24Å; A31-L68 HydrophobicContact CB-CD1 3.61Å; A31-L68 HydrophobicContact CB-CD2 3.97Å; A31-L68 HydrophobicContact CB-CG 4.46Å; W53-L68 HydrophobicContact CH2-CD1 3.59Å; W53-L68 HydrophobicContact CH2-CD2 4.06Å; W53-L68 HydrophobicContact CH2-CG 3.9Å; W53-L68 HydrophobicContact CZ2-CD1 4.3Å; W53-L68 HydrophobicContact CZ2-CD2 4.03Å; W53-L68 HydrophobicContact CZ2-CG 4.39Å; W53-L68 HydrophobicContact CZ3-CD1 3.98Å; F65-L68 WeakPolarHBondContact O-CB 3.29Å; F65-L68 PolarHBondContact O-N 2.84Å; F65-L68 VanDerWaalsContact O-N 3.09Å; N66-L68 PolarHBondContact O-N 3.37Å; L68-F70 VanDerWaalsContact C-N 3.26Å; L68-F70 HydrophobicContact CB-CD1 3.78Å; L68-F70 HydrophobicContact CB-CE1 4.42Å; L68-F70 HydrophobicContact CD1-CD1 4.31Å; L68-F70 PolarHBondContact O-N 3.39Å |
| 69 | S | 95.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 34.8 Ų | 34.8 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | trans | 47.2 | 45.6 | -179.7 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | R5 N66 K67 K111 | R5-S69 WeakPolarHBondContact CD-O 2.97Å; R5-S69 PolarHBondContact NE-O 3.25Å; N66-S69 PolarHBondContact O-N 3.37Å; K67-S69 VanDerWaalsContact C-N 3.33Å; S69-K111 PolarHBondContact O-NZ 2.84Å; S69-K111 VanDerWaalsContact O-NZ 3.07Å | ||
| 70 | F | 97.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | trans | -72.3 | 150.8 | -177.3 | 52.2 | -93.2 | 0 | 0 | 0 | 112.5 | R5 L7 V30 F65 L68 I73 L109 P113 | R5-F70 HydrophobicContact CB-CB 4.48Å; R5-F70 CarbonylContact O-C 3.5Å; R5-F70 WeakPolarHBondContact O-CA 3.45Å; R5-F70 WeakPolarHBondContact O-CB 3.34Å; L7-F70 HydrophobicContact CB-CB 4.15Å; L7-F70 HydrophobicContact CB-CD1 3.97Å; L7-F70 HydrophobicContact CB-CD2 4.16Å; L7-F70 HydrophobicContact CB-CE1 4.48Å; L7-F70 HydrophobicContact CB-CG 3.81Å; L7-F70 HydrophobicContact CD2-CD1 3.94Å; L7-F70 HydrophobicContact CD2-CD2 4.43Å; L7-F70 HydrophobicContact CD2-CE1 3.6Å; L7-F70 HydrophobicContact CD2-CE2 4.13Å; L7-F70 HydrophobicContact CD2-CG 4.35Å; L7-F70 HydrophobicContact CD2-CZ 3.71Å; V30-F70 HydrophobicContact CG2-CB 4.28Å; F65-F70 HydrophobicContact CB-CE1 4.23Å; F65-F70 HydrophobicContact CD1-CE1 4.26Å; L68-F70 VanDerWaalsContact C-N 3.26Å; L68-F70 HydrophobicContact CB-CD1 3.78Å; L68-F70 HydrophobicContact CB-CE1 4.42Å; L68-F70 HydrophobicContact CD1-CD1 4.31Å; L68-F70 PolarHBondContact O-N 3.39Å; F70-I73 HydrophobicContact CD2-CG1 3.93Å; F70-I73 HydrophobicContact CE2-CD1 3.8Å; F70-I73 HydrophobicContact CE2-CG1 3.62Å; F70-I73 HydrophobicContact CZ-CD1 4.43Å; F70-L109 HydrophobicContact CE2-CD1 3.97Å; F70-L109 HydrophobicContact CZ-CD1 3.68Å; F70-L109 HydrophobicContact CZ-CD2 4.04Å; F70-P113 HydrophobicContact CD2-CB 4.01Å; F70-P113 HydrophobicContact CD2-CG 4.39Å; F70-P113 HydrophobicContact CE2-CB 4.16Å; F70-P113 HydrophobicContact CE2-CG 4.03Å | ||
| 71 | D | 96.4 | Very high | 90.8 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.15 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -101.4 | -20.2 | 177 | -51.2 | -66.2 | 0 | 0 | 0 | 111.8 | L4 R5 K111 P113 T114 Y115 | L4-D71 HydrophobicContact CD2-CB 3.82Å; R5-D71 WeakPolarHBondContact CB-OD2 3.5Å; R5-D71 PolarHBondContact N-OD2 2.81Å; R5-D71 PolarHBondContact O-N 2.73Å; D71-K111 WeakPolarHBondContact OD1-CE 3.37Å; D71-K111 IonicContact OD1-NZ 2.74Å; D71-K111 PolarHBondContact OD1-NZ 2.78Å; D71-P113 CarbonylContact O-C 3.58Å; D71-P113 WeakPolarHBondContact O-CB 3.46Å; D71-T114 PolarHBondContact O-N 3.37Å; D71-Y115 PolarHBondContact O-N 2.97Å |
| 72 | M | 97.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140 | -177.9 | -177.6 | -179.8 | -72.4 | 0 | 0 | 111.7 | R5 V6 L7 M74 Y115 L390 M393 | R5-M72 PolarHBondContact O-N 3.2Å; V6-M72 WeakPolarHBondContact CA-O 3.27Å; V6-M72 HydrophobicContact CB-CB 4.49Å; V6-M72 HydrophobicContact CG1-CB 4.06Å; V6-M72 HydrophobicContact CG1-CG 4.04Å; V6-M72 HydrophobicContact CG1-SD 4.17Å; V6-M72 HydrophobicContact CG2-CB 4.18Å; V6-M72 HydrophobicContact CG2-SD 4.37Å; L7-M72 PolarHBondContact N-O 3.32Å; M72-M74 HydrophobicContact CG-CG 4.24Å; M72-M74 HydrophobicContact SD-CG 3.98Å; M72-M74 HydrophobicContact SD-SD 4.37Å; M72-Y115 VanDerWaalsContact CA-O 3.26Å; M72-Y115 WeakPolarHBondContact CA-O 3.38Å; M72-Y115 HydrophobicContact CE-CD2 4.08Å; M72-Y115 HydrophobicContact CE-CG 3.92Å; M72-L390 HydrophobicContact CE-CD2 4.25Å; M72-L390 HydrophobicContact SD-CD2 3.96Å; M72-M393 HydrophobicContact CE-CE 4.21Å |
| 73 | I | 98.6 | Very high | 86.1 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.6 | 162.6 | -59.9 | 176.5 | 0 | 0 | 0 | 108.5 | L7 L9 F70 M75 P113 Y115 I116 L117 | L7-I73 HydrophobicContact CD2-CG1 4.34Å; L7-I73 WeakPolarHBondContact O-CA 3.23Å; L9-I73 HydrophobicContact CD1-CG2 4.04Å; L9-I73 HydrophobicContact CG-CG2 4.41Å; F70-I73 HydrophobicContact CD2-CG1 3.93Å; F70-I73 HydrophobicContact CE2-CD1 3.8Å; F70-I73 HydrophobicContact CE2-CG1 3.62Å; F70-I73 HydrophobicContact CZ-CD1 4.43Å; I73-M75 HydrophobicContact CG2-CB 4.39Å; I73-M75 HydrophobicContact CG2-CE 4.3Å; I73-M75 HydrophobicContact CG2-CG 4.27Å; I73-M75 HydrophobicContact CG2-SD 4.35Å; I73-P113 HydrophobicContact CD1-CG 3.96Å; I73-P113 HydrophobicContact CG1-CB 4.44Å; I73-P113 HydrophobicContact CG1-CG 4.03Å; I73-Y115 PolarHBondContact N-O 3.4Å; I73-I116 HydrophobicContact CB-CG1 4.31Å; I73-I116 CarbonylContact O-C 3.49Å; I73-I116 WeakPolarHBondContact O-CA 3.41Å; I73-L117 PolarHBondContact O-N 2.94Å |
| 74 | M | 98.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.8 | 164.2 | -59.7 | -168.8 | -65.3 | 0 | 0 | 108.7 | V6 L7 L9 M16 L20 M72 L117 L390 | V6-M74 HydrophobicContact CG1-CE 3.65Å; V6-M74 HydrophobicContact CG1-CG 3.79Å; V6-M74 HydrophobicContact CG1-SD 4.22Å; L7-M74 PolarHBondContact O-N 3.31Å; L9-M74 PolarHBondContact N-O 2.88Å; M16-M74 HydrophobicContact CB-CB 4.05Å; M16-M74 HydrophobicContact CB-CE 3.68Å; M16-M74 HydrophobicContact CB-SD 4Å; M16-M74 HydrophobicContact CG-CB 4Å; M16-M74 HydrophobicContact SD-CB 4.14Å; L20-M74 HydrophobicContact CB-CE 4.03Å; L20-M74 HydrophobicContact CB-SD 4.49Å; L20-M74 HydrophobicContact CD1-CE 4.49Å; L20-M74 HydrophobicContact CD1-SD 4.4Å; L20-M74 HydrophobicContact CD2-CE 4.13Å; L20-M74 HydrophobicContact CG-CE 4.46Å; M72-M74 HydrophobicContact CG-CG 4.24Å; M72-M74 HydrophobicContact SD-CG 3.98Å; M72-M74 HydrophobicContact SD-SD 4.37Å; M74-L117 CarbonylContact C-O 3.57Å; M74-L117 WeakPolarHBondContact CA-O 3.43Å; M74-L390 HydrophobicContact SD-CD1 4.11Å; M74-L390 HydrophobicContact SD-CD2 4.19Å |
| 75 | M | 98.1 | Very high | 80.7 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 142 | -177.3 | 57.1 | 176.6 | 152.6 | 0 | 0 | 115.9 | L9 Y10 I73 F99 I102 I116 L117 L118 E119 | L9-M75 HydrophobicContact CB-CB 4.03Å; L9-M75 WeakPolarHBondContact O-CA 3.3Å; Y10-M75 HydrophobicContact CD2-CB 4.14Å; Y10-M75 HydrophobicContact CE2-CB 4.49Å; I73-M75 HydrophobicContact CG2-CB 4.39Å; I73-M75 HydrophobicContact CG2-CE 4.3Å; I73-M75 HydrophobicContact CG2-CG 4.27Å; I73-M75 HydrophobicContact CG2-SD 4.35Å; M75-F99 HydrophobicContact SD-CD2 4.45Å; M75-F99 HydrophobicContact SD-CE2 4.13Å; M75-I102 HydrophobicContact SD-CD1 4.38Å; M75-I102 HydrophobicContact SD-CG2 4.37Å; M75-I116 HydrophobicContact CE-CG2 3.5Å; M75-L117 PolarHBondContact N-O 2.8Å; M75-L118 HydrophobicContact CE-CB 4.38Å; M75-L118 HydrophobicContact CE-CD1 3.86Å; M75-L118 HydrophobicContact CG-CB 4.05Å; M75-L118 HydrophobicContact CG-CD1 4.06Å; M75-L118 HydrophobicContact CG-CG 4.15Å; M75-L118 WeakPolarHBondContact O-CA 3.32Å; M75-L118 HydrophobicContact SD-CD1 3.94Å; M75-E119 PolarHBondContact O-N 2.81Å |
| 76 | S | 96.9 | Very high | 77.9 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | trans | -123.6 | 71.6 | 170.8 | -80.8 | 0 | 0 | 0 | 0 | 110.9 | Y10 M16 E119 | Y10-S76 VanDerWaalsContact CB-O 3.25Å; Y10-S76 WeakPolarHBondContact CB-O 3.35Å; M16-S76 WeakPolarHBondContact CE-OG 3.15Å; S76-E119 VanDerWaalsContact CB-OE2 3.29Å; S76-E119 WeakPolarHBondContact CB-OE2 3.39Å; S76-E119 PolarHBondContact OG-OE2 3.24Å | ||
| 77 | P | 93.9 | Very high | 75.4 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | trans | -60.3 | 139.2 | -177.5 | 23.7 | -33.5 | 0 | 0 | 0 | 112.7 | Y10 C79 F99 L118 | Y10-P77 HydrophobicContact CD2-CB 4.12Å; Y10-P77 HydrophobicContact CE2-CB 3.63Å; P77-C79 PolarHBondContact O-N 3.27Å; P77-F99 HydrophobicContact CB-CB 4.16Å; P77-F99 HydrophobicContact CB-CD2 3.85Å; P77-F99 HydrophobicContact CB-CG 4.13Å; P77-F99 HydrophobicContact CG-CD2 3.83Å; P77-F99 HydrophobicContact CG-CE2 4.07Å; P77-F99 HydrophobicContact CG-CG 4.4Å; P77-L118 HydrophobicContact CG-CD1 4.04Å; P77-L118 HydrophobicContact CG-CG 4.36Å | ||
| 78 | P | 85.7 | Confident | 72.8 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | trans | -68.9 | 115.8 | -175.7 | 27.9 | -35.2 | 0 | 0 | 0 | 111.6 | Y10 Q80 | Y10-P78 VanDerWaalsContact CD1-CD 3.48Å; Y10-P78 HydrophobicContact CD1-CG 4.43Å; Y10-P78 HydrophobicContact CE1-CG 4.25Å; P78-Q80 PolarHBondContact O-N 3.49Å | ||
| 79 | C | 64.8 | Low | 70.5 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | trans | -98.1 | 95.1 | -172.2 | -168.4 | 0 | 0 | 0 | 0 | 113.1 | P77 F82 N120 V121 | P77-C79 PolarHBondContact O-N 3.27Å; C79-F82 WeakPolarHBondContact SG-CD2 3.39Å; C79-N120 WeakPolarHBondContact CB-OD1 3.46Å; C79-N120 PolarHBondContact SG-OD1 3.38Å; C79-V121 HydrophobicContact CB-CG1 4.16Å; C79-V121 HydrophobicContact CB-CG2 3.81Å; C79-V121 WeakPolarHBondContact SG-CG2 3.14Å | ||
| 80 | Q | 59.8 | Low | 68.5 | Low | 97 Ų | 97 | 66.8 Ų | 66.8 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | trans | -152.1 | 135.6 | 161.9 | -67.8 | -163.4 | -48.2 | 0 | 0 | 110.7 | P78 R95 | P78-Q80 PolarHBondContact O-N 3.49Å; Q80-R95 VanDerWaalsContact CB-NH1 3.32Å; Q80-R95 PolarHBondContact O-NE 3.49Å | ||
| 81 | P | 50 | Low | 66.6 | Low | 64 Ų | 64 | 70.3 Ų | 70.3 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | S | Bend | cis | -125.8 | 62.6 | 12.3 | 41.4 | -24.4 | 0 | 0 | 0 | 113.3 | T83 D93 | P81-T83 PolarHBondContact O-N 2.93Å; P81-D93 WeakPolarHBondContact CD-OD2 3.42Å |
| 82 | F | 51.8 | Low | 64.8 | Low | 29 Ų | 29 | 73.2 Ų | 73.2 | 13% | 0.127 | 42% | 0.417 | C | S | . | . | trans | -66.7 | 9.5 | -178.9 | -56.5 | -86 | 0 | 0 | 0 | 115.6 | C79 D90 C96 A129 | C79-F82 WeakPolarHBondContact SG-CD2 3.39Å; F82-D90 HydrophobicContact CD1-CB 3.98Å; F82-D90 VanDerWaalsContact CD1-CG 3.47Å; F82-D90 HydrophobicContact CE1-CB 3.76Å; F82-C96 WeakPolarHBondContact CZ-SG 3.37Å; F82-A129 HydrophobicContact CE1-CB 3.55Å; F82-A129 HydrophobicContact CZ-CB 3.58Å | ||
| 83 | T | 41.1 | Very low | 63.2 | Low | 92 Ų | 92 | 74.5 Ų | 74.5 | 56% | 0.564 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -124.4 | 97.8 | -179.9 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | P81 | P81-T83 PolarHBondContact O-N 2.93Š|
| 84 | R | 43.1 | Very low | 61.5 | Low | 247 Ų | 247 | 79.2 Ų | 79.2 | 93% | 0.932 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 47.6 | 83.1 | 151.2 | -63.1 | -175 | 176.6 | -168.4 | -2.1 | 117.6 | ||
| 85 | L | 38.6 | Very low | 60.1 | Low | 170 Ų | 170 | 84.1 Ų | 84.1 | 89% | 0.89 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -158.3 | 84.6 | 137 | -102.9 | 176.1 | 0 | 0 | 0 | 110.7 | L87 | L85-L87 PolarHBondContact O-N 2.89Š|
| 86 | G | 39.1 | Very low | 59.1 | Low | 84 Ų | 84 | 84.3 Ų | 84.3 | 87% | 0.866 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 73.1 | -4.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 87 | L | 42.9 | Very low | 58.5 | Low | 159 Ų | 159 | 89 Ų | 89 | 83% | 0.832 | 49% | 0.493 | S | S | * | . | trans | -127.4 | 115.4 | -179.4 | -71.3 | 168.9 | 0 | 0 | 0 | 112.1 | L85 G89 | L85-L87 PolarHBondContact O-N 2.89Å; L87-G89 PolarHBondContact O-N 3.42Å | ||
| 88 | Q | 42.7 | Very low | 58.4 | Low | 213 Ų | 213 | 89.3 Ų | 89.3 | 100% | 0.995 | 50% | 0.495 | S | S | * | . | trans | -73.8 | 68.1 | 173.5 | -68.7 | 179.8 | -33.6 | 0 | 0 | 110.6 | ||||
| 89 | G | 47.9 | Very low | 58.8 | Low | 34 Ų | 34 | 86.2 Ų | 86.2 | 35% | 0.351 | 47% | 0.474 | S | S | . | . | trans | -127.1 | 10.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L87 V91 A92 D93 | L87-G89 PolarHBondContact O-N 3.42Å; G89-V91 VanDerWaalsContact C-N 3.32Å; G89-V91 PolarHBondContact O-N 3.4Å; G89-V91 VanDerWaalsContact O-N 3.13Å; G89-A92 WeakPolarHBondContact O-CA 3.26Å; G89-A92 WeakPolarHBondContact O-CB 3.5Å; G89-A92 PolarHBondContact O-N 3.12Å; G89-D93 PolarHBondContact O-N 3.22Å | ||
| 90 | D | 54.4 | Low | 60.1 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 20% | 0.203 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -37.6 | -52.3 | -176.4 | -73.7 | -1.9 | 0 | 0 | 0 | 115.4 | F82 A92 C96 S128 | F82-D90 HydrophobicContact CD1-CB 3.98Å; F82-D90 VanDerWaalsContact CD1-CG 3.47Å; F82-D90 HydrophobicContact CE1-CB 3.76Å; D90-A92 VanDerWaalsContact C-N 3.35Å; D90-C96 PolarHBondContact O-SG 3.37Å; D90-S128 WeakPolarHBondContact CB-OG 3.33Å; D90-S128 PolarHBondContact OD2-OG 2.7Å |
| 91 | V | 56.9 | Low | 61.7 | Low | 80 Ų | 80 | 83.6 Ų | 83.6 | 49% | 0.485 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -77.1 | -23.1 | -175.2 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | G89 D93 L100 S128 | G89-V91 VanDerWaalsContact C-N 3.32Å; G89-V91 PolarHBondContact O-N 3.4Å; G89-V91 VanDerWaalsContact O-N 3.13Å; V91-D93 VanDerWaalsContact C-N 3.34Å; V91-L100 HydrophobicContact CG1-CD1 3.59Å; V91-L100 HydrophobicContact CG1-CD2 4.28Å; V91-S128 WeakPolarHBondContact CG2-OG 3.47Å |
| 92 | A | 58.5 | Low | 63.9 | Low | 88 Ų | 88 | 81 Ų | 81 | 73% | 0.727 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -83.9 | -7.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G89 D90 P94 | G89-A92 WeakPolarHBondContact O-CA 3.26Å; G89-A92 WeakPolarHBondContact O-CB 3.5Å; G89-A92 PolarHBondContact O-N 3.12Å; D90-A92 VanDerWaalsContact C-N 3.35Å; A92-P94 WeakPolarHBondContact O-CD 3.48Å |
| 93 | D | 63.4 | Low | 66 | Low | 30 Ų | 30 | 79.7 Ų | 79.7 | 16% | 0.16 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -71.9 | 126 | 177.6 | -163.7 | -62.5 | 0 | 0 | 0 | 111.1 | P81 G89 V91 R95 C96 | P81-D93 WeakPolarHBondContact CD-OD2 3.42Å; G89-D93 PolarHBondContact O-N 3.22Å; V91-D93 VanDerWaalsContact C-N 3.34Å; D93-R95 PolarHBondContact O-N 3.23Å; D93-R95 WeakPolarHBondContact OD1-CB 3.37Å; D93-R95 VanDerWaalsContact OD1-CG 3.26Å; D93-R95 WeakPolarHBondContact OD1-CG 3.36Å; D93-R95 IonicContact OD1-CZ 2.86Å; D93-R95 PolarHBondContact OD1-N 2.89Å; D93-R95 IonicContact OD1-NE 2.68Å; D93-R95 PolarHBondContact OD1-NE 2.97Å; D93-R95 IonicContact OD1-NH2 2.69Å; D93-R95 IonicContact OD2-CZ 3.25Å; D93-R95 IonicContact OD2-NE 2.86Å; D93-R95 PolarHBondContact OD2-NE 3.44Å; D93-R95 IonicContact OD2-NH2 2.7Å; D93-R95 PolarHBondContact OD2-NH2 3.22Å; D93-C96 WeakPolarHBondContact O-CB 3.47Å; D93-C96 PolarHBondContact O-N 3.06Å |
| 94 | P | 64 | Low | 68.6 | Low | 106 Ų | 106 | 80.1 Ų | 80.1 | 69% | 0.688 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22 | 177 | -27.4 | 35.8 | 0 | 0 | 0 | 114.8 | A92 K97 | A92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-K97 VanDerWaalsContact O-CB 3.24Å; P94-K97 WeakPolarHBondContact O-CB 3.49Å; P94-K97 PolarHBondContact O-N 3.49Å |
| 95 | R | 67.8 | Low | 71.1 | Confident | 103 Ų | 103 | 69 Ų | 69 | 39% | 0.389 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -31.4 | 177.2 | -63.1 | 172.3 | -75.7 | -171.4 | -1.4 | 112.4 | Q80 D93 K97 | Q80-R95 VanDerWaalsContact CB-NH1 3.32Å; Q80-R95 PolarHBondContact O-NE 3.49Å; D93-R95 PolarHBondContact O-N 3.23Å; D93-R95 WeakPolarHBondContact OD1-CB 3.37Å; D93-R95 VanDerWaalsContact OD1-CG 3.26Å; D93-R95 WeakPolarHBondContact OD1-CG 3.36Å; D93-R95 IonicContact OD1-CZ 2.86Å; D93-R95 PolarHBondContact OD1-N 2.89Å; D93-R95 IonicContact OD1-NE 2.68Å; D93-R95 PolarHBondContact OD1-NE 2.97Å; D93-R95 IonicContact OD1-NH2 2.69Å; D93-R95 IonicContact OD2-CZ 3.25Å; D93-R95 IonicContact OD2-NE 2.86Å; D93-R95 PolarHBondContact OD2-NE 3.44Å; D93-R95 IonicContact OD2-NH2 2.7Å; D93-R95 PolarHBondContact OD2-NH2 3.22Å; R95-K97 VanDerWaalsContact C-N 3.31Å |
| 96 | C | 77.6 | Confident | 73.9 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -20.6 | 176 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | F82 D90 D93 S98 F99 L100 | F82-C96 WeakPolarHBondContact CZ-SG 3.37Å; D90-C96 PolarHBondContact O-SG 3.37Å; D93-C96 WeakPolarHBondContact O-CB 3.47Å; D93-C96 PolarHBondContact O-N 3.06Å; C96-S98 VanDerWaalsContact C-N 3.34Å; C96-S98 PolarHBondContact O-N 3.28Å; C96-F99 WeakPolarHBondContact O-CB 3.44Å; C96-F99 PolarHBondContact O-N 3.29Å; C96-L100 HydrophobicContact CB-CD1 4.41Å; C96-L100 WeakPolarHBondContact O-CG 3.48Å; C96-L100 PolarHBondContact O-N 3.04Å |
| 97 | K | 85.3 | Confident | 76.6 | Confident | 124 Ų | 124 | 60.9 Ų | 60.9 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -50.3 | -47.6 | -176.1 | -172.6 | -173.5 | 176.9 | -174.2 | 0 | 113.6 | E58 P94 R95 F99 L100 F101 | E58-K97 HydrophobicContact CG-CG 4.48Å; P94-K97 VanDerWaalsContact O-CB 3.24Å; P94-K97 WeakPolarHBondContact O-CB 3.49Å; P94-K97 PolarHBondContact O-N 3.49Å; R95-K97 VanDerWaalsContact C-N 3.31Å; K97-F99 VanDerWaalsContact C-N 3.27Å; K97-F99 PolarHBondContact O-N 3.27Å; K97-L100 PolarHBondContact O-N 2.87Å; K97-F101 WeakPolarHBondContact O-CB 3.22Å; K97-F101 PolarHBondContact O-N 2.86Å |
| 98 | S | 91.4 | Very high | 79.2 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 179.5 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | Y10 E58 C96 I102 | Y10-S98 WeakPolarHBondContact CE1-OG 3.3Å; Y10-S98 WeakPolarHBondContact OH-CB 3.29Å; Y10-S98 PolarHBondContact OH-O 2.55Å; Y10-S98 PolarHBondContact OH-OG 3.36Å; E58-S98 WeakPolarHBondContact OE2-CB 3.46Å; C96-S98 VanDerWaalsContact C-N 3.34Å; C96-S98 PolarHBondContact O-N 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.19Å; S98-I102 PolarHBondContact O-N 3.05Å |
| 99 | F | 93.8 | Very high | 81.8 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.8 | -44 | 178 | 179.5 | -116.6 | 0 | 0 | 0 | 111.5 | Y10 M75 P77 C96 K97 F101 I102 L103 L118 F124 A129 L133 | Y10-F99 WeakPolarHBondContact OH-CA 3.47Å; Y10-F99 PolarHBondContact OH-N 3.25Å; Y10-F99 VanDerWaalsContact OH-N 3.15Å; M75-F99 HydrophobicContact SD-CD2 4.45Å; M75-F99 HydrophobicContact SD-CE2 4.13Å; P77-F99 HydrophobicContact CB-CB 4.16Å; P77-F99 HydrophobicContact CB-CD2 3.85Å; P77-F99 HydrophobicContact CB-CG 4.13Å; P77-F99 HydrophobicContact CG-CD2 3.83Å; P77-F99 HydrophobicContact CG-CE2 4.07Å; P77-F99 HydrophobicContact CG-CG 4.4Å; C96-F99 WeakPolarHBondContact O-CB 3.44Å; C96-F99 PolarHBondContact O-N 3.29Å; K97-F99 VanDerWaalsContact C-N 3.27Å; K97-F99 PolarHBondContact O-N 3.27Å; F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 PolarHBondContact O-N 3.12Å; F99-I102 WeakPolarHBondContact O-CB 3.28Å; F99-I102 PolarHBondContact O-N 2.7Å; F99-I102 VanDerWaalsContact O-N 3.11Å; F99-L103 HydrophobicContact CD1-CD1 4.2Å; F99-L103 HydrophobicContact CE1-CD1 3.71Å; F99-L103 HydrophobicContact CZ-CD1 3.9Å; F99-L103 HydrophobicContact CZ-CD2 4.4Å; F99-L103 HydrophobicContact CZ-CG 4.34Å; F99-L103 WeakPolarHBondContact O-CG 3.48Å; F99-L103 PolarHBondContact O-N 3.19Å; F99-L118 HydrophobicContact CE2-CD1 3.48Å; F99-L118 VanDerWaalsContact CE2-CD1 3.48Å; F99-L118 HydrophobicContact CZ-CD1 3.79Å; F99-F124 HydrophobicContact CE1-CE2 4.23Å; F99-F124 HydrophobicContact CE1-CZ 4.01Å; F99-F124 HydrophobicContact CZ-CZ 4.08Å; F99-A129 HydrophobicContact CD1-CB 4.31Å; F99-A129 HydrophobicContact CE1-CB 4.19Å; F99-L133 HydrophobicContact CE1-CB 4.4Å; F99-L133 HydrophobicContact CZ-CB 4Å; F99-L133 HydrophobicContact CZ-CD1 4.12Å; F99-L133 HydrophobicContact CZ-CD2 4.17Å; F99-L133 HydrophobicContact CZ-CG 4.32Å |
| 100 | L | 91.3 | Very high | 84.1 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 173.8 | -61.7 | 171.3 | 0 | 0 | 0 | 111.4 | V91 C96 K97 I102 L103 E104 Y132 | V91-L100 HydrophobicContact CG1-CD1 3.59Å; V91-L100 HydrophobicContact CG1-CD2 4.28Å; C96-L100 HydrophobicContact CB-CD1 4.41Å; C96-L100 WeakPolarHBondContact O-CG 3.48Å; C96-L100 PolarHBondContact O-N 3.04Å; K97-L100 PolarHBondContact O-N 2.87Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-I102 PolarHBondContact O-N 2.7Å; L100-L103 WeakPolarHBondContact O-CB 3.41Å; L100-L103 PolarHBondContact O-N 2.89Å; L100-L103 VanDerWaalsContact O-N 3.08Å; L100-E104 PolarHBondContact O-N 2.83Å; L100-Y132 HydrophobicContact CD2-CD1 3.69Å; L100-Y132 HydrophobicContact CD2-CE1 4.16Å |
| 101 | F | 94.3 | Very high | 86.1 | Confident | 45 Ų | 45 | 57 Ų | 57 | 20% | 0.197 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 174.1 | 177.1 | -92 | 0 | 0 | 0 | 112.7 | I57 E58 F65 K97 F99 L103 E104 L105 | I57-F101 HydrophobicContact CG2-CD1 4.12Å; I57-F101 HydrophobicContact CG2-CE1 4.38Å; I57-F101 VanDerWaalsContact O-CE1 3.31Å; I57-F101 WeakPolarHBondContact O-CE1 3.31Å; E58-F101 HydrophobicContact CB-CD1 4.42Å; E58-F101 HydrophobicContact CB-CD2 4.23Å; E58-F101 HydrophobicContact CB-CG 4.18Å; E58-F101 HydrophobicContact CG-CB 3.87Å; E58-F101 HydrophobicContact CG-CD1 4.32Å; E58-F101 HydrophobicContact CG-CD2 4.35Å; E58-F101 HydrophobicContact CG-CG 3.93Å; F65-F101 HydrophobicContact CE2-CE1 4.41Å; K97-F101 WeakPolarHBondContact O-CB 3.22Å; K97-F101 PolarHBondContact O-N 2.86Å; F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 PolarHBondContact O-N 3.12Å; F101-L103 VanDerWaalsContact C-N 3.29Å; F101-L103 PolarHBondContact O-N 2.96Å; F101-E104 PolarHBondContact O-N 3.21Å; F101-L105 HydrophobicContact CE1-CD1 3.69Å; F101-L105 HydrophobicContact CZ-CD1 3.91Å; F101-L105 WeakPolarHBondContact O-CB 3.27Å; F101-L105 PolarHBondContact O-N 3.28Å |
| 102 | I | 96.4 | Very high | 88 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 173.4 | -66 | 161.3 | 0 | 0 | 0 | 110.5 | L9 Y10 I57 M75 S98 F99 L100 L105 L106 | L9-I102 HydrophobicContact CD1-CD1 3.58Å; L9-I102 HydrophobicContact CD1-CG1 3.93Å; L9-I102 HydrophobicContact CD1-CG2 4.38Å; Y10-I102 HydrophobicContact CE2-CD1 3.62Å; I57-I102 HydrophobicContact CD1-CD1 4.03Å; I57-I102 HydrophobicContact CG2-CD1 4.26Å; I57-I102 HydrophobicContact CG2-CG1 3.85Å; M75-I102 HydrophobicContact SD-CD1 4.38Å; M75-I102 HydrophobicContact SD-CG2 4.37Å; S98-I102 WeakPolarHBondContact O-CG1 3.19Å; S98-I102 PolarHBondContact O-N 3.05Å; F99-I102 WeakPolarHBondContact O-CB 3.28Å; F99-I102 PolarHBondContact O-N 2.7Å; F99-I102 VanDerWaalsContact O-N 3.11Å; L100-I102 VanDerWaalsContact C-N 3.34Å; L100-I102 PolarHBondContact O-N 2.7Å; I102-L105 PolarHBondContact O-N 3.06Å; I102-L106 WeakPolarHBondContact O-CB 2.99Å; I102-L106 PolarHBondContact O-N 2.86Å |
| 103 | L | 95.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71 | -33.5 | 179.2 | -60.6 | 177.7 | 0 | 0 | 0 | 112.9 | F99 L100 F101 L105 P107 Y132 L133 T136 | F99-L103 HydrophobicContact CD1-CD1 4.2Å; F99-L103 HydrophobicContact CE1-CD1 3.71Å; F99-L103 HydrophobicContact CZ-CD1 3.9Å; F99-L103 HydrophobicContact CZ-CD2 4.4Å; F99-L103 HydrophobicContact CZ-CG 4.34Å; F99-L103 WeakPolarHBondContact O-CG 3.48Å; F99-L103 PolarHBondContact O-N 3.19Å; L100-L103 WeakPolarHBondContact O-CB 3.41Å; L100-L103 PolarHBondContact O-N 2.89Å; L100-L103 VanDerWaalsContact O-N 3.08Å; F101-L103 VanDerWaalsContact C-N 3.29Å; F101-L103 PolarHBondContact O-N 2.96Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L103-P107 WeakPolarHBondContact O-CD 3.23Å; L103-Y132 HydrophobicContact CB-CD1 4.07Å; L103-Y132 HydrophobicContact CB-CE1 3.83Å; L103-Y132 HydrophobicContact CD1-CD1 3.53Å; L103-Y132 HydrophobicContact CD1-CE1 4.18Å; L103-Y132 HydrophobicContact CD1-CG 4.35Å; L103-Y132 HydrophobicContact CG-CD1 4.46Å; L103-L133 HydrophobicContact CD1-CB 4.11Å; L103-L133 HydrophobicContact CD2-CB 4.33Å; L103-L133 HydrophobicContact CD2-CD1 3.6Å; L103-T136 HydrophobicContact CB-CG2 4.25Å; L103-T136 HydrophobicContact CD2-CG2 4.3Å; L103-T136 VanDerWaalsContact O-CG2 3.29Å; L103-T136 WeakPolarHBondContact O-CG2 3.23Å |
| 104 | E | 95.3 | Very high | 91.3 | Very high | 101 Ų | 101 | 53 Ų | 53 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.1 | -30 | 169.9 | -70.5 | 178.1 | -171.5 | 0 | 0 | 112.6 | L100 F101 R108 | L100-E104 PolarHBondContact O-N 2.83Å; F101-E104 PolarHBondContact O-N 3.21Å; E104-R108 WeakPolarHBondContact O-CD 3.27Å |
| 105 | L | 95.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -80.5 | -37.5 | -178.1 | -177.4 | 139.3 | 0 | 0 | 0 | 112.8 | L62 F65 F101 I102 L103 R108 L109 | L62-L105 HydrophobicContact CD1-CD1 4.25Å; L62-L105 HydrophobicContact CD1-CG 4.05Å; F65-L105 HydrophobicContact CD2-CD1 3.45Å; F65-L105 VanDerWaalsContact CD2-CD1 3.45Å; F65-L105 HydrophobicContact CD2-CD2 4.2Å; F65-L105 HydrophobicContact CD2-CG 4.45Å; F65-L105 HydrophobicContact CE2-CD1 3.47Å; F65-L105 VanDerWaalsContact CE2-CD1 3.47Å; F65-L105 HydrophobicContact CE2-CD2 4.49Å; F65-L105 HydrophobicContact CG-CD1 4.31Å; F65-L105 HydrophobicContact CG-CD2 4.26Å; F65-L105 HydrophobicContact CZ-CD1 4.39Å; F101-L105 HydrophobicContact CE1-CD1 3.69Å; F101-L105 HydrophobicContact CZ-CD1 3.91Å; F101-L105 WeakPolarHBondContact O-CB 3.27Å; F101-L105 PolarHBondContact O-N 3.28Å; I102-L105 PolarHBondContact O-N 3.06Å; L103-L105 VanDerWaalsContact C-N 3.35Å; L105-R108 WeakPolarHBondContact O-CA 3.43Å; L105-R108 WeakPolarHBondContact O-CB 3.42Å; L105-R108 PolarHBondContact O-N 2.98Å; L105-L109 HydrophobicContact CD2-CD1 4.38Å; L105-L109 HydrophobicContact CD2-CD2 3.78Å; L105-L109 HydrophobicContact CD2-CG 4.03Å; L105-L109 PolarHBondContact O-N 3.3Å |
| 106 | L | 97.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -48.8 | -54.6 | -178.9 | -176.1 | 60.4 | 0 | 0 | 0 | 113.6 | I102 R108 L109 L112 P113 I116 T136 L137 Y142 | I102-L106 WeakPolarHBondContact O-CB 2.99Å; I102-L106 PolarHBondContact O-N 2.86Å; L106-R108 PolarHBondContact O-N 3.46Å; L106-R108 VanDerWaalsContact O-N 3.07Å; L106-L109 HydrophobicContact CD1-CD1 4.06Å; L106-L109 PolarHBondContact O-N 2.8Å; L106-L112 HydrophobicContact CD1-CD2 3.98Å; L106-L112 HydrophobicContact CG-CD2 4.25Å; L106-L112 WeakPolarHBondContact O-CD2 3.04Å; L106-P113 HydrophobicContact CD1-CG 4.14Å; L106-I116 HydrophobicContact CD1-CD1 4.18Å; L106-I116 HydrophobicContact CD2-CD1 3.81Å; L106-T136 HydrophobicContact CB-CG2 4.48Å; L106-T136 HydrophobicContact CD2-CG2 4.21Å; L106-L137 HydrophobicContact CD2-CD2 4.16Å; L106-Y142 HydrophobicContact CD2-CE2 4.15Å |
| 107 | P | 97.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -69.3 | -3.4 | 178.8 | 29 | -36.8 | 0 | 0 | 0 | 114.6 | L103 | L103-P107 WeakPolarHBondContact O-CD 3.23Š|
| 108 | R | 97.3 | Very high | 95.8 | Very high | 153 Ų | 153 | 38.8 Ų | 38.8 | 58% | 0.577 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -105.1 | -4.6 | -179.2 | -60.7 | 171.8 | 58.4 | -171.1 | -3.9 | 113.3 | L62 E104 L105 L106 | L62-R108 HydrophobicContact CD1-CB 4.28Å; L62-R108 HydrophobicContact CD2-CB 3.96Å; E104-R108 WeakPolarHBondContact O-CD 3.27Å; L105-R108 WeakPolarHBondContact O-CA 3.43Å; L105-R108 WeakPolarHBondContact O-CB 3.42Å; L105-R108 PolarHBondContact O-N 2.98Å; L106-R108 PolarHBondContact O-N 3.46Å; L106-R108 VanDerWaalsContact O-N 3.07Å |
| 109 | L | 97.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | trans | -67 | 140.8 | 175.8 | -69.2 | 171.8 | 0 | 0 | 0 | 110.9 | L62 F65 N66 F70 L105 L106 K111 | L62-L109 HydrophobicContact CD1-CD2 4.12Å; F65-L109 HydrophobicContact CB-CD2 3.94Å; N66-L109 WeakPolarHBondContact OD1-CA 3.35Å; F70-L109 HydrophobicContact CE2-CD1 3.97Å; F70-L109 HydrophobicContact CZ-CD1 3.68Å; F70-L109 HydrophobicContact CZ-CD2 4.04Å; L105-L109 HydrophobicContact CD2-CD1 4.38Å; L105-L109 HydrophobicContact CD2-CD2 3.78Å; L105-L109 HydrophobicContact CD2-CG 4.03Å; L105-L109 PolarHBondContact O-N 3.3Å; L106-L109 HydrophobicContact CD1-CD1 4.06Å; L106-L109 PolarHBondContact O-N 2.8Å; L109-K111 WeakPolarHBondContact CB-O 3.04Å; L109-K111 PolarHBondContact O-N 3Å | ||
| 110 | C | 96 | Very high | 96.2 | Very high | 114 Ų | 114 | 38.5 Ų | 38.5 | 77% | 0.77 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -68.8 | -22 | 173.7 | -63.6 | 0 | 0 | 0 | 0 | 112.8 | N66 | N66-C110 PolarHBondContact ND2-SG 3.39Å; N66-C110 VanDerWaalsContact ND2-SG 3.39Å; N66-C110 PolarHBondContact OD1-N 2.98Å |
| 111 | K | 95.7 | Very high | 96.2 | Very high | 78 Ų | 78 | 39.8 Ų | 39.8 | 34% | 0.339 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -136.2 | 116.7 | 173.6 | 173.9 | -173.2 | 169 | -172.4 | 0 | 107.3 | S69 D71 L109 | S69-K111 PolarHBondContact O-NZ 2.84Å; S69-K111 VanDerWaalsContact O-NZ 3.07Å; D71-K111 WeakPolarHBondContact OD1-CE 3.37Å; D71-K111 IonicContact OD1-NZ 2.74Å; D71-K111 PolarHBondContact OD1-NZ 2.78Å; L109-K111 WeakPolarHBondContact CB-O 3.04Å; L109-K111 PolarHBondContact O-N 3Å |
| 112 | L | 96.8 | Very high | 96 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | trans | -72 | 137.7 | 170.5 | -68.3 | 171 | 0 | 0 | 0 | 109.3 | L106 C140 M169 | L106-L112 HydrophobicContact CD1-CD2 3.98Å; L106-L112 HydrophobicContact CG-CD2 4.25Å; L106-L112 WeakPolarHBondContact O-CD2 3.04Å; L112-C140 HydrophobicContact CD1-CB 4.31Å; L112-M169 HydrophobicContact CB-CE 3.55Å; L112-M169 HydrophobicContact CD1-CE 3.76Å; L112-M169 HydrophobicContact CG-CE 4.25Å | ||
| 113 | P | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -62.7 | 147.4 | 172.3 | 25.4 | -32.8 | 0 | 0 | 0 | 110.7 | F70 D71 I73 L106 Y115 I116 Y142 | F70-P113 HydrophobicContact CD2-CB 4.01Å; F70-P113 HydrophobicContact CD2-CG 4.39Å; F70-P113 HydrophobicContact CE2-CB 4.16Å; F70-P113 HydrophobicContact CE2-CG 4.03Å; D71-P113 CarbonylContact O-C 3.58Å; D71-P113 WeakPolarHBondContact O-CB 3.46Å; I73-P113 HydrophobicContact CD1-CG 3.96Å; I73-P113 HydrophobicContact CG1-CB 4.44Å; I73-P113 HydrophobicContact CG1-CG 4.03Å; L106-P113 HydrophobicContact CD1-CG 4.14Å; P113-Y115 VanDerWaalsContact C-N 3.29Å; P113-I116 HydrophobicContact CG-CD1 4.34Å; P113-I116 HydrophobicContact CG-CG1 4.13Å; P113-Y142 VanDerWaalsContact CD-OH 3.24Å; P113-Y142 WeakPolarHBondContact CD-OH 3.3Å; P113-Y142 VanDerWaalsContact CG-OH 3.3Å; P113-Y142 WeakPolarHBondContact CG-OH 3.24Å; P113-Y142 VanDerWaalsContact O-CE1 3.32Å; P113-Y142 WeakPolarHBondContact O-CE1 3.49Å; P113-Y142 PolarHBondContact O-OH 2.87Å | ||
| 114 | T | 94.8 | Very high | 95.3 | Very high | 53 Ų | 53 | 44 Ų | 44 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -70.9 | -29.5 | 173.2 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | D71 K168 M169 | D71-T114 PolarHBondContact O-N 3.37Å; T114-K168 CarbonylContact O-C 3.47Å; T114-K168 WeakPolarHBondContact O-CA 3.43Å; T114-M169 PolarHBondContact O-N 2.8Å |
| 115 | Y | 96 | Very high | 95 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 15% | 0.153 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.1 | -172.5 | -60.8 | -79.2 | 0 | 0 | 0 | 112.7 | D71 M72 I73 P113 A167 K168 M393 | D71-Y115 PolarHBondContact O-N 2.97Å; M72-Y115 VanDerWaalsContact CA-O 3.26Å; M72-Y115 WeakPolarHBondContact CA-O 3.38Å; M72-Y115 HydrophobicContact CE-CD2 4.08Å; M72-Y115 HydrophobicContact CE-CG 3.92Å; I73-Y115 PolarHBondContact N-O 3.4Å; P113-Y115 VanDerWaalsContact C-N 3.29Å; Y115-A167 WeakPolarHBondContact CA-O 3.35Å; Y115-K168 HydrophobicContact CD1-CB 4.45Å; Y115-K168 HydrophobicContact CD1-CG 4.14Å; Y115-K168 HydrophobicContact CE1-CD 3.96Å; Y115-K168 HydrophobicContact CE1-CG 3.86Å; Y115-M393 HydrophobicContact CD1-CE 3.79Å; Y115-M393 HydrophobicContact CG-CE 4.13Å |
| 116 | I | 97.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.7 | 168.5 | -60.7 | 171.3 | 0 | 0 | 0 | 108.4 | I73 M75 L106 P113 L137 Y142 A167 | I73-I116 HydrophobicContact CB-CG1 4.31Å; I73-I116 CarbonylContact O-C 3.49Å; I73-I116 WeakPolarHBondContact O-CA 3.41Å; M75-I116 HydrophobicContact CE-CG2 3.5Å; L106-I116 HydrophobicContact CD1-CD1 4.18Å; L106-I116 HydrophobicContact CD2-CD1 3.81Å; P113-I116 HydrophobicContact CG-CD1 4.34Å; P113-I116 HydrophobicContact CG-CG1 4.13Å; I116-L137 HydrophobicContact CD1-CD2 3.65Å; I116-Y142 HydrophobicContact CD1-CD1 4.37Å; I116-Y142 HydrophobicContact CD1-CE1 3.74Å; I116-Y142 HydrophobicContact CD1-CE2 4.27Å; I116-Y142 HydrophobicContact CG1-CE1 4.05Å; I116-A167 HydrophobicContact CB-CB 4.27Å; I116-A167 PolarHBondContact N-O 3.04Å; I116-A167 PolarHBondContact O-N 3.03Å |
| 117 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.6 | 168.8 | -177 | 150.9 | 0 | 0 | 0 | 109.1 | M16 I73 M74 M75 V166 V386 L389 L390 M393 | M16-L117 HydrophobicContact CE-CD2 3.49Å; M16-L117 VanDerWaalsContact CE-CD2 3.49Å; M16-L117 HydrophobicContact SD-CD2 3.67Å; I73-L117 PolarHBondContact O-N 2.94Å; M74-L117 CarbonylContact C-O 3.57Å; M74-L117 WeakPolarHBondContact CA-O 3.43Å; M75-L117 PolarHBondContact N-O 2.8Å; L117-V166 HydrophobicContact CD1-CG2 4.49Å; L117-V386 HydrophobicContact CD1-CG1 4.16Å; L117-V386 HydrophobicContact CD2-CG1 4.12Å; L117-L389 HydrophobicContact CD1-CB 4.11Å; L117-L390 HydrophobicContact CD1-CD2 3.84Å; L117-L390 HydrophobicContact CD1-CG 4Å; L117-M393 HydrophobicContact CB-CE 4.4Å; L117-M393 HydrophobicContact CB-SD 4.22Å; L117-M393 HydrophobicContact CD1-SD 3.87Å |
| 118 | L | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130 | 177.5 | 179.6 | 148.2 | 0 | 0 | 0 | 110.2 | M75 P77 F99 N120 F124 L133 Y163 F164 L165 | M75-L118 HydrophobicContact CE-CB 4.38Å; M75-L118 HydrophobicContact CE-CD1 3.86Å; M75-L118 HydrophobicContact CG-CB 4.05Å; M75-L118 HydrophobicContact CG-CD1 4.06Å; M75-L118 HydrophobicContact CG-CG 4.15Å; M75-L118 WeakPolarHBondContact O-CA 3.32Å; M75-L118 HydrophobicContact SD-CD1 3.94Å; P77-L118 HydrophobicContact CG-CD1 4.04Å; P77-L118 HydrophobicContact CG-CG 4.36Å; F99-L118 HydrophobicContact CE2-CD1 3.48Å; F99-L118 VanDerWaalsContact CE2-CD1 3.48Å; F99-L118 HydrophobicContact CZ-CD1 3.79Å; L118-N120 HydrophobicContact CD2-CB 4Å; L118-F124 HydrophobicContact CD2-CE1 3.99Å; L118-L133 HydrophobicContact CD1-CD2 3.95Å; L118-Y163 HydrophobicContact CD2-CD1 3.99Å; L118-Y163 HydrophobicContact CD2-CE1 3.7Å; L118-F164 CarbonylContact O-C 3.6Å; L118-F164 VanDerWaalsContact O-CA 3.27Å; L118-F164 WeakPolarHBondContact O-CA 3.48Å; L118-L165 HydrophobicContact CB-CB 4.47Å; L118-L165 PolarHBondContact N-O 3.44Å; L118-L165 PolarHBondContact O-N 2.85Å |
| 119 | E | 97.7 | Very high | 93.4 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 144.3 | 166.9 | 177.9 | -90.9 | 171.1 | 0 | 0 | 109.9 | M16 M75 S76 R162 F164 | M16-E119 HydrophobicContact CE-CB 3.88Å; M75-E119 PolarHBondContact O-N 2.81Å; S76-E119 VanDerWaalsContact CB-OE2 3.29Å; S76-E119 WeakPolarHBondContact CB-OE2 3.39Å; S76-E119 PolarHBondContact OG-OE2 3.24Å; E119-R162 HydrophobicContact CG-CB 4.28Å; E119-R162 HydrophobicContact CG-CG 4.37Å; E119-R162 WeakPolarHBondContact OE1-CD 3.3Å; E119-R162 VanDerWaalsContact OE1-CG 3.29Å; E119-R162 WeakPolarHBondContact OE1-CG 3.35Å; E119-R162 IonicContact OE1-NE 3.53Å; E119-R162 PolarHBondContact OE1-NE 3.26Å; E119-R162 VanDerWaalsContact OE1-NE 3.12Å; E119-F164 HydrophobicContact CB-CD1 3.74Å; E119-F164 HydrophobicContact CB-CE1 3.63Å; E119-F164 HydrophobicContact CG-CD1 3.92Å; E119-F164 HydrophobicContact CG-CE1 3.39Å; E119-F164 HydrophobicContact CG-CZ 3.94Å |
| 120 | N | 95.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 170.3 | 176.2 | -144.6 | -56.7 | 0 | 0 | 0 | 111.7 | C79 L118 F124 R162 Y163 | C79-N120 WeakPolarHBondContact CB-OD1 3.46Å; C79-N120 PolarHBondContact SG-OD1 3.38Å; L118-N120 HydrophobicContact CD2-CB 4Å; N120-F124 HydrophobicContact CB-CB 3.86Å; N120-F124 HydrophobicContact CB-CD1 3.82Å; N120-F124 HydrophobicContact CB-CD2 4.38Å; N120-F124 HydrophobicContact CB-CE1 4.46Å; N120-F124 HydrophobicContact CB-CG 3.75Å; N120-F124 WeakPolarHBondContact ND2-CD2 3.36Å; N120-F124 WeakPolarHBondContact ND2-CE2 3.47Å; N120-F124 WeakPolarHBondContact ND2-CG 3.37Å; N120-R162 CarbonylContact O-C 3.56Å; N120-R162 WeakPolarHBondContact O-CA 3.39Å; N120-R162 WeakPolarHBondContact O-CB 3.49Å; N120-R162 WeakPolarHBondContact O-CD 3.42Å; N120-Y163 HydrophobicContact CB-CD1 3.77Å; N120-Y163 HydrophobicContact CB-CG 4.37Å; N120-Y163 PolarHBondContact N-O 3.27Å; N120-Y163 PolarHBondContact O-N 3.44Å |
| 121 | V | 91.5 | Very high | 92.9 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 29% | 0.291 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 158.7 | 177.3 | -49.2 | 0 | 0 | 0 | 0 | 111.8 | C79 G123 F124 | C79-V121 HydrophobicContact CB-CG1 4.16Å; C79-V121 HydrophobicContact CB-CG2 3.81Å; C79-V121 WeakPolarHBondContact SG-CG2 3.14Å; V121-G123 PolarHBondContact O-N 3.37Å; V121-F124 WeakPolarHBondContact O-CB 3.32Å; V121-F124 PolarHBondContact O-N 2.97Å |
| 122 | K | 89.3 | Confident | 92.8 | Very high | 128 Ų | 128 | 36 Ų | 36 | 56% | 0.557 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 130.6 | 168.4 | -171.6 | -170 | -173 | 172.3 | 0 | 110.9 | M148 L161 | K122-M148 HydrophobicContact CB-CE 4.42Å; K122-M148 HydrophobicContact CB-SD 4.4Å; K122-M148 HydrophobicContact CG-CE 4.13Å; K122-M148 HydrophobicContact CG-SD 4.3Å; K122-L161 HydrophobicContact CD-CD2 4.06Å |
| 123 | G | 88.4 | Confident | 92.8 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 16% | 0.155 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110.7 | -21.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | V121 E125 S126 | V121-G123 PolarHBondContact O-N 3.37Å; G123-E125 VanDerWaalsContact C-N 3.27Å; G123-E125 WeakPolarHBondContact CA-OE2 3.28Å; G123-E125 PolarHBondContact N-OE1 3.36Å; G123-E125 PolarHBondContact N-OE2 3.18Å; G123-E125 PolarHBondContact O-N 3.21Å; G123-S126 PolarHBondContact O-N 2.74Å |
| 124 | F | 89.9 | Confident | 92.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -63 | -32.6 | 177.3 | 179.9 | -102.7 | 0 | 0 | 0 | 112.6 | F99 L118 N120 V121 S126 S127 A129 R130 L133 Y163 | F99-F124 HydrophobicContact CE1-CE2 4.23Å; F99-F124 HydrophobicContact CE1-CZ 4.01Å; F99-F124 HydrophobicContact CZ-CZ 4.08Å; L118-F124 HydrophobicContact CD2-CE1 3.99Å; N120-F124 HydrophobicContact CB-CB 3.86Å; N120-F124 HydrophobicContact CB-CD1 3.82Å; N120-F124 HydrophobicContact CB-CD2 4.38Å; N120-F124 HydrophobicContact CB-CE1 4.46Å; N120-F124 HydrophobicContact CB-CG 3.75Å; N120-F124 WeakPolarHBondContact ND2-CD2 3.36Å; N120-F124 WeakPolarHBondContact ND2-CE2 3.47Å; N120-F124 WeakPolarHBondContact ND2-CG 3.37Å; V121-F124 WeakPolarHBondContact O-CB 3.32Å; V121-F124 PolarHBondContact O-N 2.97Å; F124-S126 PolarHBondContact O-N 2.86Å; F124-S126 VanDerWaalsContact O-N 3.1Å; F124-S127 WeakPolarHBondContact CD2-OG 3.31Å; F124-S127 VanDerWaalsContact O-CB 3.25Å; F124-S127 WeakPolarHBondContact O-CB 3.39Å; F124-S127 PolarHBondContact O-N 3.25Å; F124-S127 PolarHBondContact O-OG 2.86Å; F124-A129 HydrophobicContact CE2-CB 3.96Å; F124-R130 HydrophobicContact CD1-CB 3.98Å; F124-R130 HydrophobicContact CD1-CG 4.39Å; F124-R130 HydrophobicContact CE1-CB 3.66Å; F124-R130 HydrophobicContact CE1-CG 4.12Å; F124-R130 HydrophobicContact CE2-CB 4.37Å; F124-R130 HydrophobicContact CG-CB 4.48Å; F124-R130 HydrophobicContact CZ-CB 3.88Å; F124-R130 WeakPolarHBondContact O-CB 3.35Å; F124-L133 HydrophobicContact CE1-CD2 4.07Å; F124-L133 HydrophobicContact CZ-CD2 4.19Å; F124-Y163 AromaticContact CD1-CD1 3.6Å; F124-Y163 HydrophobicContact CD1-CD1 3.6Å; F124-Y163 HydrophobicContact CD1-CD2 4.4Å; F124-Y163 AromaticContact CD1-CE1 3.44Å; F124-Y163 HydrophobicContact CD1-CE1 3.44Å; F124-Y163 VanDerWaalsContact CD1-CE1 3.44Å; F124-Y163 HydrophobicContact CD1-CE2 4.24Å; F124-Y163 HydrophobicContact CD1-CG 4.07Å; F124-Y163 AromaticContact CD1-CZ 3.74Å; F124-Y163 HydrophobicContact CE1-CD1 4.18Å; F124-Y163 AromaticContact CE1-CE1 3.61Å; F124-Y163 HydrophobicContact CE1-CE1 3.61Å; F124-Y163 AromaticContact CE1-CZ 3.93Å |
| 125 | E | 88.8 | Confident | 92.8 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -58.4 | -21.3 | 175.9 | 72 | -75.1 | -175 | 0 | 0 | 114.5 | G123 M148 Y163 V182 | G123-E125 VanDerWaalsContact C-N 3.27Å; G123-E125 WeakPolarHBondContact CA-OE2 3.28Å; G123-E125 PolarHBondContact N-OE1 3.36Å; G123-E125 PolarHBondContact N-OE2 3.18Å; G123-E125 PolarHBondContact O-N 3.21Å; E125-M148 HydrophobicContact CB-CE 4.28Å; E125-M148 HydrophobicContact CG-CE 3.99Å; E125-M148 WeakPolarHBondContact OE2-CE 3.46Å; E125-Y163 HydrophobicContact CB-CD2 3.87Å; E125-Y163 HydrophobicContact CB-CE2 3.93Å; E125-V182 HydrophobicContact CB-CG2 3.84Å; E125-V182 HydrophobicContact CG-CG2 4.35Å |
| 126 | S | 88.8 | Confident | 92.8 | Very high | 102 Ų | 102 | 37.6 Ų | 37.6 | 71% | 0.713 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -106.5 | 15.2 | 177.6 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | G123 F124 | G123-S126 PolarHBondContact O-N 2.74Å; F124-S126 PolarHBondContact O-N 2.86Å; F124-S126 VanDerWaalsContact O-N 3.1Å |
| 127 | S | 87.3 | Confident | 92.8 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -97.8 | 148.4 | -175.4 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | F124 A129 R130 D131 | F124-S127 WeakPolarHBondContact CD2-OG 3.31Å; F124-S127 VanDerWaalsContact O-CB 3.25Å; F124-S127 WeakPolarHBondContact O-CB 3.39Å; F124-S127 PolarHBondContact O-N 3.25Å; F124-S127 PolarHBondContact O-OG 2.86Å; S127-A129 PolarHBondContact O-N 2.68Å; S127-R130 WeakPolarHBondContact O-CB 3.43Å; S127-R130 PolarHBondContact O-N 3.02Å; S127-R130 PolarHBondContact OG-N 2.86Å; S127-D131 PolarHBondContact O-N 2.78Å; S127-D131 VanDerWaalsContact O-N 3.13Å |
| 128 | S | 87.3 | Confident | 92.6 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 30% | 0.301 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -25.9 | 170.5 | 56 | 0 | 0 | 0 | 0 | 113.5 | D90 V91 D131 Y132 | D90-S128 WeakPolarHBondContact CB-OG 3.33Å; D90-S128 PolarHBondContact OD2-OG 2.7Å; V91-S128 WeakPolarHBondContact CG2-OG 3.47Å; S128-D131 PolarHBondContact O-N 3.15Å; S128-Y132 PolarHBondContact O-N 3.2Å |
| 129 | A | 89.3 | Confident | 92.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.6 | -35.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | F82 F99 F124 S127 L133 | F82-A129 HydrophobicContact CE1-CB 3.55Å; F82-A129 HydrophobicContact CZ-CB 3.58Å; F99-A129 HydrophobicContact CD1-CB 4.31Å; F99-A129 HydrophobicContact CE1-CB 4.19Å; F124-A129 HydrophobicContact CE2-CB 3.96Å; S127-A129 PolarHBondContact O-N 2.68Å; A129-L133 WeakPolarHBondContact O-CB 3.33Å; A129-L133 PolarHBondContact O-N 3.46Å |
| 130 | R | 92.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 170.2 | 174.3 | -92.6 | 175.8 | -155.4 | 0.6 | 111 | F124 S127 Y132 L133 I134 E146 | F124-R130 HydrophobicContact CD1-CB 3.98Å; F124-R130 HydrophobicContact CD1-CG 4.39Å; F124-R130 HydrophobicContact CE1-CB 3.66Å; F124-R130 HydrophobicContact CE1-CG 4.12Å; F124-R130 HydrophobicContact CE2-CB 4.37Å; F124-R130 HydrophobicContact CG-CB 4.48Å; F124-R130 HydrophobicContact CZ-CB 3.88Å; F124-R130 WeakPolarHBondContact O-CB 3.35Å; S127-R130 WeakPolarHBondContact O-CB 3.43Å; S127-R130 PolarHBondContact O-N 3.02Å; S127-R130 PolarHBondContact OG-N 2.86Å; R130-Y132 VanDerWaalsContact C-N 3.29Å; R130-Y132 PolarHBondContact O-N 3.09Å; R130-L133 WeakPolarHBondContact O-CB 3.33Å; R130-L133 PolarHBondContact O-N 2.61Å; R130-L133 VanDerWaalsContact O-N 3.16Å; R130-I134 HydrophobicContact CG-CG1 4.45Å; R130-I134 WeakPolarHBondContact O-CG1 3.42Å; R130-I134 PolarHBondContact O-N 3.09Å; R130-E146 IonicContact CZ-OE1 3.77Å; R130-E146 IonicContact CZ-OE2 3.26Å; R130-E146 IonicContact NE-OE1 2.87Å; R130-E146 PolarHBondContact NE-OE1 3.48Å; R130-E146 IonicContact NE-OE2 2.67Å; R130-E146 IonicContact NH2-OE1 3.37Å; R130-E146 IonicContact NH2-OE2 3.81Å; R130-E146 PolarHBondContact NH2-OE2 3.24Å |
| 131 | D | 91.8 | Very high | 92.4 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -36.2 | 178.5 | -65.6 | -26.4 | 0 | 0 | 0 | 112.2 | S127 S128 K135 | S127-D131 PolarHBondContact O-N 2.78Å; S127-D131 VanDerWaalsContact O-N 3.13Å; S128-D131 PolarHBondContact O-N 3.15Å; D131-K135 WeakPolarHBondContact O-CB 3.37Å; D131-K135 PolarHBondContact O-N 3.31Å |
| 132 | Y | 93 | Very high | 92.6 | Very high | 84 Ų | 84 | 43.9 Ų | 43.9 | 33% | 0.329 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 172.8 | -166 | -121.7 | 0 | 0 | 0 | 112.4 | L100 L103 S128 R130 K135 T136 | L100-Y132 HydrophobicContact CD2-CD1 3.69Å; L100-Y132 HydrophobicContact CD2-CE1 4.16Å; L103-Y132 HydrophobicContact CB-CD1 4.07Å; L103-Y132 HydrophobicContact CB-CE1 3.83Å; L103-Y132 HydrophobicContact CD1-CD1 3.53Å; L103-Y132 HydrophobicContact CD1-CE1 4.18Å; L103-Y132 HydrophobicContact CD1-CG 4.35Å; L103-Y132 HydrophobicContact CG-CD1 4.46Å; S128-Y132 PolarHBondContact O-N 3.2Å; R130-Y132 VanDerWaalsContact C-N 3.29Å; R130-Y132 PolarHBondContact O-N 3.09Å; Y132-K135 PolarHBondContact O-N 2.98Å; Y132-T136 WeakPolarHBondContact O-CB 3.48Å; Y132-T136 PolarHBondContact O-N 3.36Å; Y132-T136 PolarHBondContact O-OG1 3Å; Y132-T136 VanDerWaalsContact O-OG1 3.11Å |
| 133 | L | 95.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.7 | -53.8 | 171.3 | 168.8 | 68.5 | 0 | 0 | 0 | 111.2 | F99 L103 L118 F124 A129 R130 K135 T136 L137 L165 | F99-L133 HydrophobicContact CE1-CB 4.4Å; F99-L133 HydrophobicContact CZ-CB 4Å; F99-L133 HydrophobicContact CZ-CD1 4.12Å; F99-L133 HydrophobicContact CZ-CD2 4.17Å; F99-L133 HydrophobicContact CZ-CG 4.32Å; L103-L133 HydrophobicContact CD1-CB 4.11Å; L103-L133 HydrophobicContact CD2-CB 4.33Å; L103-L133 HydrophobicContact CD2-CD1 3.6Å; L118-L133 HydrophobicContact CD1-CD2 3.95Å; F124-L133 HydrophobicContact CE1-CD2 4.07Å; F124-L133 HydrophobicContact CZ-CD2 4.19Å; A129-L133 WeakPolarHBondContact O-CB 3.33Å; A129-L133 PolarHBondContact O-N 3.46Å; R130-L133 WeakPolarHBondContact O-CB 3.33Å; R130-L133 PolarHBondContact O-N 2.61Å; R130-L133 VanDerWaalsContact O-N 3.16Å; L133-K135 PolarHBondContact O-N 2.86Å; L133-T136 PolarHBondContact O-N 3.49Å; L133-L137 HydrophobicContact CD1-CD1 3.77Å; L133-L137 HydrophobicContact CD1-CG 3.98Å; L133-L137 HydrophobicContact CG-CD1 3.93Å; L133-L137 HydrophobicContact CG-CG 4.44Å; L133-L137 WeakPolarHBondContact O-CB 3.38Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 3.2Å; L133-L165 HydrophobicContact CD2-CD1 3.92Å; L133-L165 HydrophobicContact CG-CD1 4.47Å |
| 134 | I | 95.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.087 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 179.9 | -66.4 | -37.4 | 0 | 0 | 0 | 111 | R130 T136 L137 S138 Y144 L165 | R130-I134 HydrophobicContact CG-CG1 4.45Å; R130-I134 WeakPolarHBondContact O-CG1 3.42Å; R130-I134 PolarHBondContact O-N 3.09Å; I134-T136 VanDerWaalsContact C-N 3.31Å; I134-T136 PolarHBondContact O-N 3.47Å; I134-L137 HydrophobicContact CD1-CD1 4.43Å; I134-L137 PolarHBondContact O-N 3.45Å; I134-S138 PolarHBondContact O-N 2.77Å; I134-S138 PolarHBondContact O-OG 3.01Å; I134-Y144 HydrophobicContact CD1-CD1 4.22Å; I134-Y144 HydrophobicContact CD1-CD2 3.67Å; I134-Y144 HydrophobicContact CD1-CE1 4.01Å; I134-Y144 HydrophobicContact CD1-CE2 3.42Å; I134-Y144 VanDerWaalsContact CD1-CE2 3.42Å; I134-Y144 HydrophobicContact CD1-CG 4.08Å; I134-Y144 HydrophobicContact CG1-CE2 4.15Å; I134-Y144 HydrophobicContact CG2-CE1 3.71Å; I134-Y144 VanDerWaalsContact CG2-OH 3.29Å; I134-Y144 WeakPolarHBondContact CG2-OH 3.5Å; I134-L165 HydrophobicContact CD1-CD1 3.39Å |
| 135 | K | 96.2 | Very high | 92.8 | Very high | 154 Ų | 154 | 40.2 Ų | 40.2 | 67% | 0.67 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -58.1 | -43.1 | 177.8 | -177 | 177.7 | 178.5 | 178.9 | 0 | 112.3 | D131 Y132 L133 G139 | D131-K135 WeakPolarHBondContact O-CB 3.37Å; D131-K135 PolarHBondContact O-N 3.31Å; Y132-K135 PolarHBondContact O-N 2.98Å; L133-K135 PolarHBondContact O-N 2.86Å; K135-G139 PolarHBondContact O-N 3.26Å |
| 136 | T | 97.2 | Very high | 92.9 | Very high | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.8 | -43 | 178.3 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | L103 L106 Y132 L133 I134 G139 C140 | L103-T136 HydrophobicContact CB-CG2 4.25Å; L103-T136 HydrophobicContact CD2-CG2 4.3Å; L103-T136 VanDerWaalsContact O-CG2 3.29Å; L103-T136 WeakPolarHBondContact O-CG2 3.23Å; L106-T136 HydrophobicContact CB-CG2 4.48Å; L106-T136 HydrophobicContact CD2-CG2 4.21Å; Y132-T136 WeakPolarHBondContact O-CB 3.48Å; Y132-T136 PolarHBondContact O-N 3.36Å; Y132-T136 PolarHBondContact O-OG1 3Å; Y132-T136 VanDerWaalsContact O-OG1 3.11Å; L133-T136 PolarHBondContact O-N 3.49Å; I134-T136 VanDerWaalsContact C-N 3.31Å; I134-T136 PolarHBondContact O-N 3.47Å; T136-G139 PolarHBondContact O-N 3.41Å; T136-C140 WeakPolarHBondContact O-CB 3.45Å; T136-C140 PolarHBondContact O-N 3.24Å; T136-C140 PolarHBondContact O-SG 2.98Å |
| 137 | L | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -51.8 | 176.6 | -73.1 | 176.2 | 0 | 0 | 0 | 111.5 | L106 I116 L133 I134 G139 C140 G141 Y142 L165 A167 | L106-L137 HydrophobicContact CD2-CD2 4.16Å; I116-L137 HydrophobicContact CD1-CD2 3.65Å; L133-L137 HydrophobicContact CD1-CD1 3.77Å; L133-L137 HydrophobicContact CD1-CG 3.98Å; L133-L137 HydrophobicContact CG-CD1 3.93Å; L133-L137 HydrophobicContact CG-CG 4.44Å; L133-L137 WeakPolarHBondContact O-CB 3.38Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 3.2Å; I134-L137 HydrophobicContact CD1-CD1 4.43Å; I134-L137 PolarHBondContact O-N 3.45Å; L137-G139 VanDerWaalsContact C-N 3.3Å; L137-G139 PolarHBondContact O-N 2.83Å; L137-C140 CarbonylContact O-C 3.51Å; L137-C140 PolarHBondContact O-N 3.27Å; L137-G141 PolarHBondContact O-N 3.27Å; L137-Y142 HydrophobicContact CD2-CD1 4.44Å; L137-Y142 HydrophobicContact CD2-CD2 3.9Å; L137-Y142 HydrophobicContact CD2-CE2 4.35Å; L137-Y142 HydrophobicContact CD2-CG 3.95Å; L137-Y142 WeakPolarHBondContact O-CD2 3.23Å; L137-Y142 PolarHBondContact O-N 3.11Å; L137-L165 HydrophobicContact CD1-CD1 3.97Å; L137-L165 HydrophobicContact CD1-CD2 3.71Å; L137-A167 HydrophobicContact CD1-CB 4.15Å; L137-A167 HydrophobicContact CD2-CB 4.2Å |
| 138 | S | 94.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 33.6 Ų | 33.6 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.7 | -39 | 177 | -59.1 | 0 | 0 | 0 | 0 | 112 | I134 C140 G141 | I134-S138 PolarHBondContact O-N 2.77Å; I134-S138 PolarHBondContact O-OG 3.01Å; S138-C140 PolarHBondContact O-N 2.86Å; S138-G141 PolarHBondContact O-N 2.85Å |
| 139 | G | 96 | Very high | 93.5 | Very high | 69 Ų | 69 | 31.6 Ų | 31.6 | 71% | 0.711 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -65.8 | -21.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K135 T136 L137 | K135-G139 PolarHBondContact O-N 3.26Å; T136-G139 PolarHBondContact O-N 3.41Å; L137-G139 VanDerWaalsContact C-N 3.3Å; L137-G139 PolarHBondContact O-N 2.83Å |
| 140 | C | 96.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 32 Ų | 32 | 12% | 0.122 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 6.8 | 175.2 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | L112 T136 L137 S138 Y142 | L112-C140 HydrophobicContact CD1-CB 4.31Å; T136-C140 WeakPolarHBondContact O-CB 3.45Å; T136-C140 PolarHBondContact O-N 3.24Å; T136-C140 PolarHBondContact O-SG 2.98Å; L137-C140 CarbonylContact O-C 3.51Å; L137-C140 PolarHBondContact O-N 3.27Å; S138-C140 PolarHBondContact O-N 2.86Å; C140-Y142 HydrophobicContact CB-CD2 3.7Å; C140-Y142 HydrophobicContact CB-CE2 3.57Å |
| 141 | G | 94.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 30.7 Ų | 30.7 | 39% | 0.392 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 14.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | L137 S138 S170 | L137-G141 PolarHBondContact O-N 3.27Å; S138-G141 PolarHBondContact O-N 2.85Å; G141-S170 WeakPolarHBondContact O-CB 3.36Å; G141-S170 PolarHBondContact O-N 3.22Å; G141-S170 VanDerWaalsContact O-N 3.07Å |
| 142 | Y | 94.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 140.2 | 175.6 | -64.7 | -98.1 | 0 | 0 | 0 | 112 | L106 P113 I116 L137 C140 A167 K168 M169 | L106-Y142 HydrophobicContact CD2-CE2 4.15Å; P113-Y142 VanDerWaalsContact CD-OH 3.24Å; P113-Y142 WeakPolarHBondContact CD-OH 3.3Å; P113-Y142 VanDerWaalsContact CG-OH 3.3Å; P113-Y142 WeakPolarHBondContact CG-OH 3.24Å; P113-Y142 VanDerWaalsContact O-CE1 3.32Å; P113-Y142 WeakPolarHBondContact O-CE1 3.49Å; P113-Y142 PolarHBondContact O-OH 2.87Å; I116-Y142 HydrophobicContact CD1-CD1 4.37Å; I116-Y142 HydrophobicContact CD1-CE1 3.74Å; I116-Y142 HydrophobicContact CD1-CE2 4.27Å; I116-Y142 HydrophobicContact CG1-CE1 4.05Å; L137-Y142 HydrophobicContact CD2-CD1 4.44Å; L137-Y142 HydrophobicContact CD2-CD2 3.9Å; L137-Y142 HydrophobicContact CD2-CE2 4.35Å; L137-Y142 HydrophobicContact CD2-CG 3.95Å; L137-Y142 WeakPolarHBondContact O-CD2 3.23Å; L137-Y142 PolarHBondContact O-N 3.11Å; C140-Y142 HydrophobicContact CB-CD2 3.7Å; C140-Y142 HydrophobicContact CB-CE2 3.57Å; Y142-A167 HydrophobicContact CD1-CB 4.09Å; Y142-A167 HydrophobicContact CG-CB 4.46Å; Y142-K168 WeakPolarHBondContact CA-O 3.37Å; Y142-M169 HydrophobicContact CD1-CE 4.26Å; Y142-M169 HydrophobicContact CD2-CE 4.08Å; Y142-M169 HydrophobicContact CE1-CE 3.76Å; Y142-M169 HydrophobicContact CE2-CE 3.56Å; Y142-M169 HydrophobicContact CG-CE 4.4Å |
| 143 | T | 91.6 | Very high | 93.7 | Very high | 30 Ų | 30 | 27.2 Ų | 27.2 | 18% | 0.184 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 151.4 | 152.8 | 56.4 | 0 | 0 | 0 | 0 | 109 | A167 K168 I176 | T143-A167 CarbonylContact O-C 3.52Å; T143-A167 WeakPolarHBondContact O-CA 3.49Å; T143-A167 WeakPolarHBondContact O-CB 3.3Å; T143-K168 PolarHBondContact N-O 3.31Å; T143-K168 PolarHBondContact O-N 3.04Å; T143-K168 PolarHBondContact OG1-O 3.24Å; T143-I176 HydrophobicContact CG2-CB 4.04Å; T143-I176 HydrophobicContact CG2-CD1 4.08Å; T143-I176 HydrophobicContact CG2-CG2 3.88Å |
| 144 | Y | 91.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 28.9 Ų | 28.9 | 6% | 0.059 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.3 | 179.8 | 70 | -88.4 | 0 | 0 | 0 | 112 | I134 E146 L165 V166 T178 | I134-Y144 HydrophobicContact CD1-CD1 4.22Å; I134-Y144 HydrophobicContact CD1-CD2 3.67Å; I134-Y144 HydrophobicContact CD1-CE1 4.01Å; I134-Y144 HydrophobicContact CD1-CE2 3.42Å; I134-Y144 VanDerWaalsContact CD1-CE2 3.42Å; I134-Y144 HydrophobicContact CD1-CG 4.08Å; I134-Y144 HydrophobicContact CG1-CE2 4.15Å; I134-Y144 HydrophobicContact CG2-CE1 3.71Å; I134-Y144 VanDerWaalsContact CG2-OH 3.29Å; I134-Y144 WeakPolarHBondContact CG2-OH 3.5Å; Y144-E146 HydrophobicContact CD2-CG 4.07Å; Y144-E146 HydrophobicContact CE2-CG 4.12Å; Y144-L165 HydrophobicContact CD2-CD1 3.84Å; Y144-L165 HydrophobicContact CD2-CG 4.49Å; Y144-L165 HydrophobicContact CG-CD1 4.21Å; Y144-V166 CarbonylContact C-O 3.47Å; Y144-V166 WeakPolarHBondContact CA-O 3.44Å; Y144-T178 HydrophobicContact CD1-CG2 3.93Å; Y144-T178 HydrophobicContact CE1-CG2 3.62Å |
| 145 | Q | 88.9 | Confident | 93.2 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 137.1 | 170 | -175.2 | 56.5 | 64.6 | 0 | 0 | 110.3 | L165 V166 M183 F189 | Q145-L165 WeakPolarHBondContact O-CA 3.44Å; Q145-V166 PolarHBondContact N-O 3.07Å; Q145-V166 PolarHBondContact O-N 2.86Å; Q145-M183 HydrophobicContact CG-CE 3.58Å; Q145-M183 VanDerWaalsContact NE2-CE 3.31Å; Q145-F189 HydrophobicContact CB-CE2 4.34Å; Q145-F189 HydrophobicContact CG-CD2 4.07Å; Q145-F189 HydrophobicContact CG-CE2 3.61Å |
| 146 | E | 92.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.1 | 177.8 | -64.2 | 175.1 | 106.4 | 0 | 0 | 111.5 | R130 Y144 Y163 F164 L165 V182 M183 | R130-E146 IonicContact CZ-OE1 3.77Å; R130-E146 IonicContact CZ-OE2 3.26Å; R130-E146 IonicContact NE-OE1 2.87Å; R130-E146 PolarHBondContact NE-OE1 3.48Å; R130-E146 IonicContact NE-OE2 2.67Å; R130-E146 IonicContact NH2-OE1 3.37Å; R130-E146 IonicContact NH2-OE2 3.81Å; R130-E146 PolarHBondContact NH2-OE2 3.24Å; Y144-E146 HydrophobicContact CD2-CG 4.07Å; Y144-E146 HydrophobicContact CE2-CG 4.12Å; E146-Y163 HydrophobicContact CB-CE2 4.1Å; E146-Y163 HydrophobicContact CG-CE2 4.01Å; E146-Y163 WeakPolarHBondContact CG-OH 3.38Å; E146-Y163 VanDerWaalsContact OE1-CE2 3.26Å; E146-Y163 WeakPolarHBondContact OE1-CE2 3.24Å; E146-Y163 VanDerWaalsContact OE1-CZ 3.3Å; E146-Y163 PolarHBondContact OE1-OH 3.22Å; E146-F164 WeakPolarHBondContact CA-O 3.21Å; E146-L165 HydrophobicContact CG-CB 4.44Å; E146-L165 HydrophobicContact CG-CD1 3.95Å; E146-L165 HydrophobicContact CG-CG 4.41Å; E146-V182 HydrophobicContact CB-CG2 4.22Å; E146-M183 PolarHBondContact O-N 3.16Å |
| 147 | C | 90.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 166.2 | 175.6 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | I149 Y163 F164 M183 F189 | C147-I149 HydrophobicContact CB-CD1 4.4Å; C147-I149 HydrophobicContact CB-CG1 4.41Å; C147-I149 WeakPolarHBondContact SG-CD1 3.42Å; C147-Y163 CarbonylContact O-C 3.58Å; C147-Y163 WeakPolarHBondContact O-CA 3.44Å; C147-F164 PolarHBondContact N-O 3.25Å; C147-F164 PolarHBondContact O-N 3.44Å; C147-M183 CarbonylContact C-O 3.53Å; C147-M183 VanDerWaalsContact CA-O 3.27Å; C147-M183 WeakPolarHBondContact CA-O 3.27Å; C147-M183 HydrophobicContact CB-CB 4.36Å; C147-F189 HydrophobicContact CB-CD2 3.43Å; C147-F189 VanDerWaalsContact CB-CD2 3.43Å; C147-F189 HydrophobicContact CB-CE2 3.77Å; C147-F189 HydrophobicContact CB-CG 4.17Å; C147-F189 VanDerWaalsContact SG-CE2 3.57Å |
| 148 | M | 92.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 4% | 0.044 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 106.6 | 176.6 | -80.4 | -73.9 | 177.6 | 0 | 0 | 108.9 | K122 E125 L161 R162 Y163 V182 M183 | K122-M148 HydrophobicContact CB-CE 4.42Å; K122-M148 HydrophobicContact CB-SD 4.4Å; K122-M148 HydrophobicContact CG-CE 4.13Å; K122-M148 HydrophobicContact CG-SD 4.3Å; E125-M148 HydrophobicContact CB-CE 4.28Å; E125-M148 HydrophobicContact CG-CE 3.99Å; E125-M148 WeakPolarHBondContact OE2-CE 3.46Å; M148-L161 HydrophobicContact CB-CD1 4.1Å; M148-L161 HydrophobicContact SD-CG 4.34Å; M148-R162 CarbonylContact C-O 3.57Å; M148-R162 VanDerWaalsContact CA-O 3.31Å; M148-R162 WeakPolarHBondContact CA-O 3.46Å; M148-Y163 HydrophobicContact CE-CD2 4.08Å; M148-Y163 HydrophobicContact CE-CG 4.44Å; M148-V182 HydrophobicContact CB-CG1 4.41Å; M148-V182 HydrophobicContact CG-CG1 3.63Å; M148-M183 PolarHBondContact N-O 3.06Å |
| 149 | I | 92 | Very high | 93.3 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140 | -175.1 | -59 | 162.7 | 0 | 0 | 0 | 110.1 | C147 N153 L161 R162 F164 Y186 V385 L389 | C147-I149 HydrophobicContact CB-CD1 4.4Å; C147-I149 HydrophobicContact CB-CG1 4.41Å; C147-I149 WeakPolarHBondContact SG-CD1 3.42Å; I149-N153 HydrophobicContact CG2-CB 4.24Å; I149-L161 WeakPolarHBondContact O-CA 3.16Å; I149-R162 PolarHBondContact N-O 2.95Å; I149-R162 PolarHBondContact O-N 3.05Å; I149-F164 HydrophobicContact CB-CD2 4.13Å; I149-F164 HydrophobicContact CB-CE2 3.97Å; I149-F164 HydrophobicContact CD1-CD2 4.3Å; I149-F164 HydrophobicContact CG1-CD2 4.49Å; I149-Y186 HydrophobicContact CD1-CD2 3.95Å; I149-Y186 HydrophobicContact CG1-CD2 4.45Å; I149-Y186 HydrophobicContact CG2-CD2 4.48Å; I149-V385 HydrophobicContact CB-CG1 4.09Å; I149-V385 HydrophobicContact CG2-CG1 3.63Å; I149-V385 HydrophobicContact CG2-CG2 4.13Å; I149-L389 HydrophobicContact CD1-CD1 4.24Å; I149-L389 HydrophobicContact CD1-CD2 3.76Å; I149-L389 HydrophobicContact CD1-CG 4.23Å |
| 150 | S | 95 | Very high | 93.3 | Very high | 10 Ų | 10 | 16 Ų | 16 | 7% | 0.07 | 10% | 0.103 | C | C | . | . | trans | -115 | 149.7 | 170.1 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | T152 N153 R160 | S150-T152 VanDerWaalsContact CB-OG1 3.3Å; S150-T152 WeakPolarHBondContact CB-OG1 3.42Å; S150-T152 PolarHBondContact O-N 2.93Å; S150-T152 PolarHBondContact OG-OG1 3.24Å; S150-N153 PolarHBondContact N-OD1 2.92Å; S150-N153 VanDerWaalsContact O-CB 3.3Å; S150-N153 WeakPolarHBondContact O-CB 3.39Å; S150-N153 PolarHBondContact O-N 2.85Å; S150-N153 PolarHBondContact O-OD1 2.97Å; S150-R160 PolarHBondContact OG-N 3.39Å | ||
| 151 | P | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -57 | -24.8 | 177.3 | -26.6 | 35.8 | 0 | 0 | 0 | 114.3 | N153 V154 G155 V156 N158 R160 N382 V385 | P151-N153 PolarHBondContact O-N 3.02Å; P151-V154 CarbonylContact O-C 3.51Å; P151-V154 VanDerWaalsContact O-CG2 3.23Å; P151-V154 WeakPolarHBondContact O-CG2 3.2Å; P151-V154 PolarHBondContact O-N 3.45Å; P151-G155 PolarHBondContact O-N 2.81Å; P151-V156 CarbonylContact C-O 3.46Å; P151-V156 HydrophobicContact CB-CB 3.69Å; P151-V156 HydrophobicContact CB-CG1 4.02Å; P151-V156 HydrophobicContact CB-CG2 4.31Å; P151-V156 WeakPolarHBondContact O-CB 3.48Å; P151-V156 PolarHBondContact O-N 3.02Å; P151-N158 WeakPolarHBondContact CD-O 3.07Å; P151-R160 WeakPolarHBondContact CD-O 3.37Å; P151-R160 HydrophobicContact CG-CB 3.87Å; P151-N382 HydrophobicContact CB-CB 4.41Å; P151-N382 HydrophobicContact CG-CB 3.61Å; P151-V385 HydrophobicContact CB-CG2 4.32Å; P151-V385 HydrophobicContact CG-CG2 4.22Å |
| 152 | T | 91.8 | Very high | 93.3 | Very high | 35 Ų | 35 | 18.2 Ų | 18.2 | 22% | 0.215 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -54.2 | -32.2 | 168.7 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | S150 V154 G155 V156 | S150-T152 VanDerWaalsContact CB-OG1 3.3Å; S150-T152 WeakPolarHBondContact CB-OG1 3.42Å; S150-T152 PolarHBondContact O-N 2.93Å; S150-T152 PolarHBondContact OG-OG1 3.24Å; T152-V154 PolarHBondContact O-N 3.19Å; T152-G155 PolarHBondContact O-N 3.19Å; T152-V156 VanDerWaalsContact CA-O 3.29Å; T152-V156 WeakPolarHBondContact CA-O 3.45Å; T152-V156 PolarHBondContact N-O 3.19Å |
| 153 | N | 88.9 | Confident | 93.4 | Very high | 61 Ų | 61 | 17.8 Ų | 17.8 | 33% | 0.326 | 10% | 0.1 | S | C | . | . | G | 310 helix | trans | -72 | -14.2 | 176.5 | -60.5 | 96.4 | 0 | 0 | 0 | 113.4 | I149 S150 P151 | I149-N153 HydrophobicContact CG2-CB 4.24Å; S150-N153 PolarHBondContact N-OD1 2.92Å; S150-N153 VanDerWaalsContact O-CB 3.3Å; S150-N153 WeakPolarHBondContact O-CB 3.39Å; S150-N153 PolarHBondContact O-N 2.85Å; S150-N153 PolarHBondContact O-OD1 2.97Å; P151-N153 PolarHBondContact O-N 3.02Å |
| 154 | V | 88.4 | Confident | 93.6 | Very high | 36 Ų | 36 | 16.6 Ų | 16.6 | 22% | 0.218 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -116.5 | 26.9 | 175.8 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | P151 T152 V156 L384 V385 R388 | P151-V154 CarbonylContact O-C 3.51Å; P151-V154 VanDerWaalsContact O-CG2 3.23Å; P151-V154 WeakPolarHBondContact O-CG2 3.2Å; P151-V154 PolarHBondContact O-N 3.45Å; T152-V154 PolarHBondContact O-N 3.19Å; V154-V156 HydrophobicContact CG2-CG2 4.24Å; V154-V156 PolarHBondContact O-N 2.86Å; V154-L384 HydrophobicContact CG2-CB 4.48Å; V154-V385 HydrophobicContact CG2-CG2 3.64Å; V154-R388 HydrophobicContact CG1-CG 4.3Å |
| 155 | G | 91.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 15.9 Ų | 15.9 | 13% | 0.134 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 5.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | P151 T152 S251 V252 Q253 | P151-G155 PolarHBondContact O-N 2.81Å; T152-G155 PolarHBondContact O-N 3.19Å; G155-S251 WeakPolarHBondContact CA-O 3.18Å; G155-V252 WeakPolarHBondContact O-CA 3.23Å; G155-Q253 PolarHBondContact O-N 3.44Å |
| 156 | V | 96.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | trans | -91.3 | 130.9 | -177.8 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | P151 T152 V154 N158 Y258 L355 L384 | P151-V156 CarbonylContact C-O 3.46Å; P151-V156 HydrophobicContact CB-CB 3.69Å; P151-V156 HydrophobicContact CB-CG1 4.02Å; P151-V156 HydrophobicContact CB-CG2 4.31Å; P151-V156 WeakPolarHBondContact O-CB 3.48Å; P151-V156 PolarHBondContact O-N 3.02Å; T152-V156 VanDerWaalsContact CA-O 3.29Å; T152-V156 WeakPolarHBondContact CA-O 3.45Å; T152-V156 PolarHBondContact N-O 3.19Å; V154-V156 HydrophobicContact CG2-CG2 4.24Å; V154-V156 PolarHBondContact O-N 2.86Å; V156-N158 HydrophobicContact CG1-CB 4.29Å; V156-N158 PolarHBondContact O-N 3.36Å; V156-Y258 HydrophobicContact CG1-CE1 4.15Å; V156-L355 HydrophobicContact CG1-CD2 4.5Å; V156-L355 WeakPolarHBondContact CG1-O 3.41Å; V156-L384 HydrophobicContact CG2-CD1 3.78Å | ||
| 157 | P | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -74.9 | 39.8 | -177.9 | 29.7 | -34.3 | 0 | 0 | 0 | 114.6 | V252 Q253 I255 Y258 R292 R293 S294 L355 | P157-V252 HydrophobicContact CB-CG1 3.92Å; P157-Q253 WeakPolarHBondContact CB-O 3.5Å; P157-Q253 WeakPolarHBondContact CG-O 3.4Å; P157-I255 HydrophobicContact CB-CG1 4.06Å; P157-I255 HydrophobicContact CG-CG1 4.15Å; P157-Y258 VanDerWaalsContact CD-CE2 3.44Å; P157-Y258 HydrophobicContact CG-CD2 3.94Å; P157-Y258 HydrophobicContact CG-CE2 3.74Å; P157-R292 VanDerWaalsContact CB-C 3.46Å; P157-R293 CarbonylContact O-C 3.51Å; P157-S294 PolarHBondContact O-N 2.66Å; P157-S294 PolarHBondContact O-OG 3.11Å; P157-L355 HydrophobicContact CG-CD2 3.82Å |
| 158 | N | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -129.2 | 124.4 | 176.5 | -170.1 | -108.5 | 0 | 0 | 0 | 112.7 | P151 V156 R160 S294 V295 F297 L355 | P151-N158 WeakPolarHBondContact CD-O 3.07Å; V156-N158 HydrophobicContact CG1-CB 4.29Å; V156-N158 PolarHBondContact O-N 3.36Å; N158-R160 PolarHBondContact O-N 3.01Å; N158-S294 PolarHBondContact ND2-OG 2.67Å; N158-V295 PolarHBondContact ND2-O 3.18Å; N158-F297 WeakPolarHBondContact ND2-CD2 3.26Å; N158-F297 VanDerWaalsContact ND2-CE2 3.33Å; N158-F297 WeakPolarHBondContact ND2-CE2 3.39Å; N158-L355 HydrophobicContact CB-CB 4.39Å |
| 159 | S | 96 | Very high | 94.3 | Very high | 30 Ų | 30 | 19.4 Ų | 19.4 | 21% | 0.21 | 11% | 0.106 | C | C | . | . | trans | -80.8 | 104 | 175 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | S294 C296 | S159-S294 WeakPolarHBondContact CB-O 3.46Å; S159-S294 PolarHBondContact N-O 2.81Å; S159-S294 PolarHBondContact OG-O 3.12Å; S159-C296 WeakPolarHBondContact O-CA 3.28Å; S159-C296 WeakPolarHBondContact O-CB 3.42Å; S159-C296 PolarHBondContact O-N 3.35Å; S159-C296 VanDerWaalsContact O-N 3.12Å | ||
| 160 | R | 95.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | trans | -139.9 | 63.5 | 178 | -168.1 | -176.9 | -168.7 | 73.3 | 0.9 | 110.9 | S150 P151 N158 R162 C296 F297 G378 S380 | S150-R160 PolarHBondContact OG-N 3.39Å; P151-R160 WeakPolarHBondContact CD-O 3.37Å; P151-R160 HydrophobicContact CG-CB 3.87Å; N158-R160 PolarHBondContact O-N 3.01Å; R160-R162 VanDerWaalsContact NH2-NH2 3.12Å; R160-R162 PolarHBondContact O-N 3.34Å; R160-C296 PolarHBondContact NH1-SG 3.42Å; R160-C296 VanDerWaalsContact NH1-SG 3.45Å; R160-F297 PolarHBondContact NH1-O 2.99Å; R160-G378 PolarHBondContact NH2-O 3.39Å; R160-S380 VanDerWaalsContact CZ-O 3.27Å; R160-S380 PolarHBondContact NE-O 2.88Å; R160-S380 PolarHBondContact NH2-O 3.34Å | ||
| 161 | L | 94.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 24.5 Ų | 24.5 | 34% | 0.34 | 15% | 0.147 | S | C | . | . | trans | -58.2 | 128.1 | 178.3 | -167.8 | 65.9 | 0 | 0 | 0 | 110.9 | K122 M148 I149 | K122-L161 HydrophobicContact CD-CD2 4.06Å; M148-L161 HydrophobicContact CB-CD1 4.1Å; M148-L161 HydrophobicContact SD-CG 4.34Å; I149-L161 WeakPolarHBondContact O-CA 3.16Å | ||
| 162 | R | 95.9 | Very high | 89.8 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.1 | 178.9 | -71.1 | -60.7 | -175.8 | -88 | 2.3 | 110.8 | E119 N120 M148 I149 R160 F164 | E119-R162 HydrophobicContact CG-CB 4.28Å; E119-R162 HydrophobicContact CG-CG 4.37Å; E119-R162 WeakPolarHBondContact OE1-CD 3.3Å; E119-R162 VanDerWaalsContact OE1-CG 3.29Å; E119-R162 WeakPolarHBondContact OE1-CG 3.35Å; E119-R162 IonicContact OE1-NE 3.53Å; E119-R162 PolarHBondContact OE1-NE 3.26Å; E119-R162 VanDerWaalsContact OE1-NE 3.12Å; N120-R162 CarbonylContact O-C 3.56Å; N120-R162 WeakPolarHBondContact O-CA 3.39Å; N120-R162 WeakPolarHBondContact O-CB 3.49Å; N120-R162 WeakPolarHBondContact O-CD 3.42Å; M148-R162 CarbonylContact C-O 3.57Å; M148-R162 VanDerWaalsContact CA-O 3.31Å; M148-R162 WeakPolarHBondContact CA-O 3.46Å; I149-R162 PolarHBondContact N-O 2.95Å; I149-R162 PolarHBondContact O-N 3.05Å; R160-R162 VanDerWaalsContact NH2-NH2 3.12Å; R160-R162 PolarHBondContact O-N 3.34Å; R162-F164 HydrophobicContact CB-CD2 4.28Å; R162-F164 HydrophobicContact CB-CE2 3.55Å; R162-F164 HydrophobicContact CB-CZ 3.75Å; R162-F164 WeakPolarHBondContact O-CD2 3.45Å |
| 163 | Y | 95.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 138.1 | 165.2 | 171.5 | -85.3 | 0 | 0 | 0 | 108.5 | L118 N120 F124 E125 E146 C147 M148 L165 | L118-Y163 HydrophobicContact CD2-CD1 3.99Å; L118-Y163 HydrophobicContact CD2-CE1 3.7Å; N120-Y163 HydrophobicContact CB-CD1 3.77Å; N120-Y163 HydrophobicContact CB-CG 4.37Å; N120-Y163 PolarHBondContact N-O 3.27Å; N120-Y163 PolarHBondContact O-N 3.44Å; F124-Y163 AromaticContact CD1-CD1 3.6Å; F124-Y163 HydrophobicContact CD1-CD1 3.6Å; F124-Y163 HydrophobicContact CD1-CD2 4.4Å; F124-Y163 AromaticContact CD1-CE1 3.44Å; F124-Y163 HydrophobicContact CD1-CE1 3.44Å; F124-Y163 VanDerWaalsContact CD1-CE1 3.44Å; F124-Y163 HydrophobicContact CD1-CE2 4.24Å; F124-Y163 HydrophobicContact CD1-CG 4.07Å; F124-Y163 AromaticContact CD1-CZ 3.74Å; F124-Y163 HydrophobicContact CE1-CD1 4.18Å; F124-Y163 AromaticContact CE1-CE1 3.61Å; F124-Y163 HydrophobicContact CE1-CE1 3.61Å; F124-Y163 AromaticContact CE1-CZ 3.93Å; E125-Y163 HydrophobicContact CB-CD2 3.87Å; E125-Y163 HydrophobicContact CB-CE2 3.93Å; E146-Y163 HydrophobicContact CB-CE2 4.1Å; E146-Y163 HydrophobicContact CG-CE2 4.01Å; E146-Y163 WeakPolarHBondContact CG-OH 3.38Å; E146-Y163 VanDerWaalsContact OE1-CE2 3.26Å; E146-Y163 WeakPolarHBondContact OE1-CE2 3.24Å; E146-Y163 VanDerWaalsContact OE1-CZ 3.3Å; E146-Y163 PolarHBondContact OE1-OH 3.22Å; C147-Y163 CarbonylContact O-C 3.58Å; C147-Y163 WeakPolarHBondContact O-CA 3.44Å; M148-Y163 HydrophobicContact CE-CD2 4.08Å; M148-Y163 HydrophobicContact CE-CG 4.44Å; Y163-L165 HydrophobicContact CE1-CB 3.75Å |
| 164 | F | 96.9 | Very high | 84.9 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.6 | 166.6 | -59.3 | -91.4 | 0 | 0 | 0 | 109.9 | L118 E119 E146 C147 I149 R162 V385 V386 L389 | L118-F164 CarbonylContact O-C 3.6Å; L118-F164 VanDerWaalsContact O-CA 3.27Å; L118-F164 WeakPolarHBondContact O-CA 3.48Å; E119-F164 HydrophobicContact CB-CD1 3.74Å; E119-F164 HydrophobicContact CB-CE1 3.63Å; E119-F164 HydrophobicContact CG-CD1 3.92Å; E119-F164 HydrophobicContact CG-CE1 3.39Å; E119-F164 HydrophobicContact CG-CZ 3.94Å; E146-F164 WeakPolarHBondContact CA-O 3.21Å; C147-F164 PolarHBondContact N-O 3.25Å; C147-F164 PolarHBondContact O-N 3.44Å; I149-F164 HydrophobicContact CB-CD2 4.13Å; I149-F164 HydrophobicContact CB-CE2 3.97Å; I149-F164 HydrophobicContact CD1-CD2 4.3Å; I149-F164 HydrophobicContact CG1-CD2 4.49Å; R162-F164 HydrophobicContact CB-CD2 4.28Å; R162-F164 HydrophobicContact CB-CE2 3.55Å; R162-F164 HydrophobicContact CB-CZ 3.75Å; R162-F164 WeakPolarHBondContact O-CD2 3.45Å; F164-V385 HydrophobicContact CE1-CG1 4.34Å; F164-V385 HydrophobicContact CE2-CG1 3.66Å; F164-V385 HydrophobicContact CZ-CG1 3.55Å; F164-V386 HydrophobicContact CE1-CG2 3.74Å; F164-V386 HydrophobicContact CZ-CG2 4.45Å; F164-L389 HydrophobicContact CB-CD1 3.75Å; F164-L389 HydrophobicContact CD1-CD1 3.48Å; F164-L389 VanDerWaalsContact CD1-CD1 3.48Å; F164-L389 HydrophobicContact CD2-CD1 3.98Å; F164-L389 HydrophobicContact CE1-CD1 4.01Å; F164-L389 HydrophobicContact CE2-CD1 4.45Å; F164-L389 HydrophobicContact CG-CD1 3.46Å; F164-L389 VanDerWaalsContact CG-CD1 3.46Å; F164-L389 HydrophobicContact CZ-CD1 4.46Å |
| 165 | L | 96.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.5 | 165.5 | 177.1 | 148.9 | 0 | 0 | 0 | 109.1 | L118 L133 I134 L137 Y144 Q145 E146 Y163 A167 | L118-L165 HydrophobicContact CB-CB 4.47Å; L118-L165 PolarHBondContact N-O 3.44Å; L118-L165 PolarHBondContact O-N 2.85Å; L133-L165 HydrophobicContact CD2-CD1 3.92Å; L133-L165 HydrophobicContact CG-CD1 4.47Å; I134-L165 HydrophobicContact CD1-CD1 3.39Å; L137-L165 HydrophobicContact CD1-CD1 3.97Å; L137-L165 HydrophobicContact CD1-CD2 3.71Å; Y144-L165 HydrophobicContact CD2-CD1 3.84Å; Y144-L165 HydrophobicContact CD2-CG 4.49Å; Y144-L165 HydrophobicContact CG-CD1 4.21Å; Q145-L165 WeakPolarHBondContact O-CA 3.44Å; E146-L165 HydrophobicContact CG-CB 4.44Å; E146-L165 HydrophobicContact CG-CD1 3.95Å; E146-L165 HydrophobicContact CG-CG 4.41Å; Y163-L165 HydrophobicContact CE1-CB 3.75Å; L165-A167 HydrophobicContact CD2-CB 3.95Å |
| 166 | V | 94.6 | Very high | 80 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.5 | 171.6 | 165.1 | 0 | 0 | 0 | 0 | 107.3 | L117 Y144 Q145 M393 | L117-V166 HydrophobicContact CD1-CG2 4.49Å; Y144-V166 CarbonylContact C-O 3.47Å; Y144-V166 WeakPolarHBondContact CA-O 3.44Å; Q145-V166 PolarHBondContact N-O 3.07Å; Q145-V166 PolarHBondContact O-N 2.86Å; V166-M393 HydrophobicContact CB-CG 4.47Å; V166-M393 HydrophobicContact CB-SD 4.34Å; V166-M393 HydrophobicContact CG1-CE 4.05Å; V166-M393 HydrophobicContact CG1-CG 3.41Å; V166-M393 VanDerWaalsContact CG1-CG 3.41Å; V166-M393 HydrophobicContact CG1-SD 3.69Å; V166-M393 HydrophobicContact CG2-CG 4.21Å; V166-M393 HydrophobicContact CG2-SD 3.82Å |
| 167 | A | 94.6 | Very high | 77.4 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y115 I116 L137 Y142 T143 L165 | Y115-A167 WeakPolarHBondContact CA-O 3.35Å; I116-A167 HydrophobicContact CB-CB 4.27Å; I116-A167 PolarHBondContact N-O 3.04Å; I116-A167 PolarHBondContact O-N 3.03Å; L137-A167 HydrophobicContact CD1-CB 4.15Å; L137-A167 HydrophobicContact CD2-CB 4.2Å; Y142-A167 HydrophobicContact CD1-CB 4.09Å; Y142-A167 HydrophobicContact CG-CB 4.46Å; T143-A167 CarbonylContact O-C 3.52Å; T143-A167 WeakPolarHBondContact O-CA 3.49Å; T143-A167 WeakPolarHBondContact O-CB 3.3Å; L165-A167 HydrophobicContact CD2-CB 3.95Å |
| 168 | K | 92.4 | Very high | 74.9 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.5 | 177.8 | -172.5 | -179.4 | 179.7 | 176.6 | 0 | 109.3 | T114 Y115 Y142 T143 S170 F398 | T114-K168 CarbonylContact O-C 3.47Å; T114-K168 WeakPolarHBondContact O-CA 3.43Å; Y115-K168 HydrophobicContact CD1-CB 4.45Å; Y115-K168 HydrophobicContact CD1-CG 4.14Å; Y115-K168 HydrophobicContact CE1-CD 3.96Å; Y115-K168 HydrophobicContact CE1-CG 3.86Å; Y142-K168 WeakPolarHBondContact CA-O 3.37Å; T143-K168 PolarHBondContact N-O 3.31Å; T143-K168 PolarHBondContact O-N 3.04Å; T143-K168 PolarHBondContact OG1-O 3.24Å; K168-S170 PolarHBondContact O-N 3.12Å; K168-F398 HydrophobicContact CD-CD1 3.49Å; K168-F398 VanDerWaalsContact CD-CD1 3.49Å; K168-F398 HydrophobicContact CD-CE1 3.67Å; K168-F398 HydrophobicContact CD-CG 4.25Å; K168-F398 PolarHBondContact NZ-O 3.36Å |
| 169 | M | 91.1 | Very high | 72.4 | Confident | 52 Ų | 52 | 57.6 Ų | 57.6 | 26% | 0.256 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 129 | 172.8 | -168.6 | 60.5 | 66.5 | 0 | 0 | 110 | L112 T114 Y142 | L112-M169 HydrophobicContact CB-CE 3.55Å; L112-M169 HydrophobicContact CD1-CE 3.76Å; L112-M169 HydrophobicContact CG-CE 4.25Å; T114-M169 PolarHBondContact O-N 2.8Å; Y142-M169 HydrophobicContact CD1-CE 4.26Å; Y142-M169 HydrophobicContact CD2-CE 4.08Å; Y142-M169 HydrophobicContact CE1-CE 3.76Å; Y142-M169 HydrophobicContact CE2-CE 3.56Å; Y142-M169 HydrophobicContact CG-CE 4.4Å |
| 170 | S | 78.8 | Confident | 70.3 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 144 | 176 | -159.2 | 0 | 0 | 0 | 0 | 111.1 | G141 K168 S174 | G141-S170 WeakPolarHBondContact O-CB 3.36Å; G141-S170 PolarHBondContact O-N 3.22Å; G141-S170 VanDerWaalsContact O-N 3.07Å; K168-S170 PolarHBondContact O-N 3.12Å; S170-S174 PolarHBondContact OG-OG 3.28Å |
| 171 | A | 62.5 | Low | 68.3 | Low | 81 Ų | 81 | 69.5 Ų | 69.5 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 141 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | S174 | A171-S174 PolarHBondContact O-OG 3.04Š|
| 172 | E | 46.6 | Very low | 66.5 | Low | 185 Ų | 185 | 68.2 Ų | 68.2 | 86% | 0.864 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 143.1 | -174.4 | -63.9 | -176.6 | 159.8 | 0 | 0 | 112.5 | ||
| 173 | N | 40 | Very low | 64.9 | Low | 171 Ų | 171 | 67.4 Ų | 67.4 | 91% | 0.914 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 37.2 | 177.6 | -57.4 | -37.7 | 0 | 0 | 0 | 117.9 | ||
| 174 | S | 37.7 | Very low | 62.7 | Low | 53 Ų | 53 | 72.4 Ų | 72.4 | 37% | 0.371 | 41% | 0.405 | S | S | . | . | trans | -115.2 | 112.6 | 161.5 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | S170 A171 I176 | S170-S174 PolarHBondContact OG-OG 3.28Å; A171-S174 PolarHBondContact O-OG 3.04Å; S174-I176 PolarHBondContact O-N 2.97Å; S174-I176 VanDerWaalsContact OG-CD1 3.3Å; S174-I176 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 175 | S | 36 | Very low | 60.6 | Low | 125 Ų | 125 | 75.2 Ų | 75.2 | 87% | 0.874 | 42% | 0.421 | S | S | * | . | trans | -76.4 | 72.5 | 175.5 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 176 | I | 41.7 | Very low | 58.6 | Low | 53 Ų | 53 | 77.1 Ų | 77.1 | 27% | 0.272 | 43% | 0.428 | S | S | . | . | trans | -84 | 120.6 | -175.8 | -69.1 | 176.7 | 0 | 0 | 0 | 109.7 | T143 S174 T178 F196 | T143-I176 HydrophobicContact CG2-CB 4.04Å; T143-I176 HydrophobicContact CG2-CD1 4.08Å; T143-I176 HydrophobicContact CG2-CG2 3.88Å; S174-I176 PolarHBondContact O-N 2.97Å; S174-I176 VanDerWaalsContact OG-CD1 3.3Å; S174-I176 WeakPolarHBondContact OG-CD1 3.44Å; I176-T178 PolarHBondContact O-N 2.96Å; I176-F196 HydrophobicContact CG2-CE1 3.35Å; I176-F196 HydrophobicContact CG2-CZ 3.36Å | ||
| 177 | Q | 41.1 | Very low | 56.5 | Low | 168 Ų | 168 | 80.7 Ų | 80.7 | 79% | 0.785 | 44% | 0.444 | S | S | * | . | trans | -77.5 | 102.1 | 176.3 | -72.4 | -171.6 | -13 | 0 | 0 | 110.8 | S179 F196 | Q177-S179 PolarHBondContact O-N 2.7Å; Q177-F196 WeakPolarHBondContact O-CE2 3.09Å; Q177-F196 WeakPolarHBondContact O-CZ 3.43Å | ||
| 178 | T | 45.3 | Very low | 54.3 | Low | 49 Ų | 49 | 82.5 Ų | 82.5 | 30% | 0.301 | 46% | 0.459 | S | S | . | . | trans | -56.2 | 129 | 167.8 | 43.5 | 0 | 0 | 0 | 0 | 110.5 | Y144 I176 D180 | Y144-T178 HydrophobicContact CD1-CG2 3.93Å; Y144-T178 HydrophobicContact CE1-CG2 3.62Å; I176-T178 PolarHBondContact O-N 2.96Å; T178-D180 PolarHBondContact O-N 2.86Å | ||
| 179 | S | 46.9 | Very low | 52.5 | Low | 38 Ų | 38 | 80.7 Ų | 80.7 | 27% | 0.266 | 45% | 0.451 | S | S | . | . | trans | -79.8 | 105.6 | 172.5 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | Q177 K181 | Q177-S179 PolarHBondContact O-N 2.7Å; S179-K181 PolarHBondContact O-N 3.47Å | ||
| 180 | D | 51.9 | Low | 50.7 | Low | 119 Ų | 119 | 78.8 Ų | 78.8 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | trans | -64.7 | 0.4 | 173.7 | -67.1 | -46 | 0 | 0 | 0 | 113.6 | T178 | T178-D180 PolarHBondContact O-N 2.86Š| ||
| 181 | K | 53.4 | Low | 49.3 | Very low | 165 Ų | 165 | 80.4 Ų | 80.4 | 72% | 0.717 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -91.3 | 111.2 | 176.1 | -68.7 | -177.4 | -179.8 | 177.1 | 0 | 110.6 | S179 M183 | S179-K181 PolarHBondContact O-N 3.47Å; K181-M183 PolarHBondContact O-N 2.75Å |
| 182 | V | 57.8 | Low | 48.5 | Very low | 38 Ų | 38 | 78.5 Ų | 78.5 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | trans | -57 | 118 | 164.3 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | E125 E146 M148 | E125-V182 HydrophobicContact CB-CG2 3.84Å; E125-V182 HydrophobicContact CG-CG2 4.35Å; E146-V182 HydrophobicContact CB-CG2 4.22Å; M148-V182 HydrophobicContact CB-CG1 4.41Å; M148-V182 HydrophobicContact CG-CG1 3.63Å | ||
| 183 | M | 60.5 | Low | 48.6 | Very low | 21 Ų | 21 | 71 Ų | 71 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 130.2 | -180 | -69.2 | -166.8 | -90.1 | 0 | 0 | 111.6 | Q145 E146 C147 M148 K181 F189 T192 | Q145-M183 HydrophobicContact CG-CE 3.58Å; Q145-M183 VanDerWaalsContact NE2-CE 3.31Å; E146-M183 PolarHBondContact O-N 3.16Å; C147-M183 CarbonylContact C-O 3.53Å; C147-M183 VanDerWaalsContact CA-O 3.27Å; C147-M183 WeakPolarHBondContact CA-O 3.27Å; C147-M183 HydrophobicContact CB-CB 4.36Å; M148-M183 PolarHBondContact N-O 3.06Å; K181-M183 PolarHBondContact O-N 2.75Å; M183-F189 HydrophobicContact CE-CB 4.33Å; M183-F189 HydrophobicContact CE-CD2 3.65Å; M183-F189 HydrophobicContact CE-CE2 4.45Å; M183-F189 HydrophobicContact CE-CG 4.34Å; M183-F189 HydrophobicContact SD-CB 4.47Å; M183-T192 HydrophobicContact CE-CG2 3.63Å; M183-T192 WeakPolarHBondContact SD-CB 3.25Å; M183-T192 HydrophobicContact SD-CG2 3.84Å; M183-T192 PolarHBondContact SD-OG1 2.9Å |
| 184 | C | 50 | Low | 48.5 | Very low | 104 Ų | 104 | 66 Ų | 66 | 70% | 0.703 | 38% | 0.375 | S | S | * | . | trans | -98.7 | 7.5 | -174.6 | -67.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 185 | D | 53.8 | Low | 48.3 | Very low | 65 Ų | 65 | 66.9 Ų | 66.9 | 35% | 0.348 | 38% | 0.378 | S | S | . | . | trans | -137.9 | 141.1 | 179.8 | 170.9 | 37.8 | 0 | 0 | 0 | 110.2 | Q187 A188 F189 | D185-Q187 PolarHBondContact OD1-N 2.83Å; D185-Q187 VanDerWaalsContact OD1-N 3.16Å; D185-Q187 PolarHBondContact OD2-N 3.2Å; D185-A188 HydrophobicContact CB-CB 3.93Å; D185-A188 WeakPolarHBondContact OD2-CB 3.46Å; D185-A188 PolarHBondContact OD2-N 3.3Å; D185-F189 VanDerWaalsContact O-CB 3.23Å; D185-F189 WeakPolarHBondContact O-CB 3.34Å; D185-F189 PolarHBondContact O-N 2.68Å | ||
| 186 | Y | 53.5 | Low | 48.2 | Very low | 40 Ų | 40 | 64.2 Ų | 64.2 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73 | -36.7 | 178.2 | 178.9 | -95.8 | 0 | 0 | 0 | 111.8 | I149 F189 A190 R388 L392 | I149-Y186 HydrophobicContact CD1-CD2 3.95Å; I149-Y186 HydrophobicContact CG1-CD2 4.45Å; I149-Y186 HydrophobicContact CG2-CD2 4.48Å; Y186-F189 PolarHBondContact O-N 3.18Å; Y186-A190 WeakPolarHBondContact O-CB 3.29Å; Y186-A190 PolarHBondContact O-N 3.29Å; Y186-R388 HydrophobicContact CE2-CB 4.21Å; Y186-L392 HydrophobicContact CE2-CD1 4.19Å |
| 187 | Q | 50.8 | Low | 47.9 | Very low | 86 Ų | 86 | 65.8 Ų | 65.8 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.2 | -49.2 | 177.2 | -168.6 | 61.6 | 50.7 | 0 | 0 | 109.5 | D185 F189 A190 D191 | D185-Q187 PolarHBondContact OD1-N 2.83Å; D185-Q187 VanDerWaalsContact OD1-N 3.16Å; D185-Q187 PolarHBondContact OD2-N 3.2Å; Q187-F189 PolarHBondContact O-N 3.43Å; Q187-A190 PolarHBondContact O-N 3.43Å; Q187-D191 PolarHBondContact NE2-OD1 3.16Å; Q187-D191 WeakPolarHBondContact O-CB 3.46Å; Q187-D191 PolarHBondContact O-N 3.14Å |
| 188 | A | 49.3 | Very low | 47.5 | Very low | 39 Ų | 39 | 63.3 Ų | 63.3 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.7 | -30.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D185 T192 | D185-A188 HydrophobicContact CB-CB 3.93Å; D185-A188 WeakPolarHBondContact OD2-CB 3.46Å; D185-A188 PolarHBondContact OD2-N 3.3Å; A188-T192 WeakPolarHBondContact O-CB 3.33Å; A188-T192 PolarHBondContact O-N 3.41Å; A188-T192 PolarHBondContact O-OG1 3.5Å |
| 189 | F | 53.9 | Low | 46.9 | Very low | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.7 | -50.1 | 173 | 175.1 | -92.3 | 0 | 0 | 0 | 112.1 | Q145 C147 M183 D185 Y186 Q187 D191 T192 V193 L389 L392 | Q145-F189 HydrophobicContact CB-CE2 4.34Å; Q145-F189 HydrophobicContact CG-CD2 4.07Å; Q145-F189 HydrophobicContact CG-CE2 3.61Å; C147-F189 HydrophobicContact CB-CD2 3.43Å; C147-F189 VanDerWaalsContact CB-CD2 3.43Å; C147-F189 HydrophobicContact CB-CE2 3.77Å; C147-F189 HydrophobicContact CB-CG 4.17Å; C147-F189 VanDerWaalsContact SG-CE2 3.57Å; M183-F189 HydrophobicContact CE-CB 4.33Å; M183-F189 HydrophobicContact CE-CD2 3.65Å; M183-F189 HydrophobicContact CE-CE2 4.45Å; M183-F189 HydrophobicContact CE-CG 4.34Å; M183-F189 HydrophobicContact SD-CB 4.47Å; D185-F189 VanDerWaalsContact O-CB 3.23Å; D185-F189 WeakPolarHBondContact O-CB 3.34Å; D185-F189 PolarHBondContact O-N 2.68Å; Y186-F189 PolarHBondContact O-N 3.18Å; Q187-F189 PolarHBondContact O-N 3.43Å; F189-D191 VanDerWaalsContact C-N 3.31Å; F189-D191 PolarHBondContact O-N 3.09Å; F189-T192 PolarHBondContact O-N 2.84Å; F189-V193 HydrophobicContact CD1-CG2 4.32Å; F189-V193 HydrophobicContact CE1-CG2 4.01Å; F189-V193 HydrophobicContact CE2-CG2 4.29Å; F189-V193 HydrophobicContact CZ-CG2 4.01Å; F189-V193 WeakPolarHBondContact O-CB 3.49Å; F189-V193 VanDerWaalsContact O-CG2 3.28Å; F189-V193 WeakPolarHBondContact O-CG2 3.38Å; F189-V193 PolarHBondContact O-N 3.44Å; F189-L389 HydrophobicContact CD1-CD2 4.29Å; F189-L389 HydrophobicContact CE1-CD2 3.45Å; F189-L389 VanDerWaalsContact CE1-CD2 3.45Å; F189-L389 HydrophobicContact CZ-CD2 3.66Å; F189-L392 HydrophobicContact CD1-CD1 4.02Å; F189-L392 HydrophobicContact CE1-CD1 3.72Å |
| 190 | A | 53.6 | Low | 46.3 | Very low | 13 Ų | 13 | 73.1 Ų | 73.1 | 11% | 0.107 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y186 Q187 S194 | Y186-A190 WeakPolarHBondContact O-CB 3.29Å; Y186-A190 PolarHBondContact O-N 3.29Å; Q187-A190 PolarHBondContact O-N 3.43Å; A190-S194 WeakPolarHBondContact O-CB 3.4Å; A190-S194 PolarHBondContact O-N 3.13Å; A190-S194 PolarHBondContact O-OG 3.48Å |
| 191 | D | 48.7 | Very low | 45.3 | Very low | 71 Ų | 71 | 76 Ų | 76 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 174.4 | -67.7 | -13.1 | 0 | 0 | 0 | 110.7 | Q187 F189 S194 V195 | Q187-D191 PolarHBondContact NE2-OD1 3.16Å; Q187-D191 WeakPolarHBondContact O-CB 3.46Å; Q187-D191 PolarHBondContact O-N 3.14Å; F189-D191 VanDerWaalsContact C-N 3.31Å; F189-D191 PolarHBondContact O-N 3.09Å; D191-S194 CarbonylContact O-C 3.58Å; D191-S194 WeakPolarHBondContact O-CA 3.38Å; D191-S194 WeakPolarHBondContact O-CB 3.44Å; D191-S194 PolarHBondContact O-N 2.85Å; D191-S194 VanDerWaalsContact O-N 3.13Å; D191-V195 VanDerWaalsContact O-CB 3.23Å; D191-V195 WeakPolarHBondContact O-CB 3.45Å; D191-V195 WeakPolarHBondContact O-CG2 3.33Å; D191-V195 PolarHBondContact O-N 3Å |
| 192 | T | 46.8 | Very low | 44.1 | Very low | 42 Ų | 42 | 77 Ų | 77 | 26% | 0.258 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.7 | -41.3 | 177.3 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | M183 A188 F189 S194 V195 F196 | M183-T192 HydrophobicContact CE-CG2 3.63Å; M183-T192 WeakPolarHBondContact SD-CB 3.25Å; M183-T192 HydrophobicContact SD-CG2 3.84Å; M183-T192 PolarHBondContact SD-OG1 2.9Å; A188-T192 WeakPolarHBondContact O-CB 3.33Å; A188-T192 PolarHBondContact O-N 3.41Å; A188-T192 PolarHBondContact O-OG1 3.5Å; F189-T192 PolarHBondContact O-N 2.84Å; T192-S194 PolarHBondContact O-N 3.02Å; T192-S194 VanDerWaalsContact O-N 3.13Å; T192-V195 PolarHBondContact O-N 3.06Å; T192-F196 WeakPolarHBondContact O-CB 3.41Å; T192-F196 PolarHBondContact O-N 2.88Å |
| 193 | V | 48 | Very low | 42.8 | Very low | 27 Ų | 27 | 84.9 Ų | 84.9 | 16% | 0.164 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -56.7 | -27.3 | 170.5 | 170 | 0 | 0 | 0 | 0 | 110.8 | F189 Y197 F398 | F189-V193 HydrophobicContact CD1-CG2 4.32Å; F189-V193 HydrophobicContact CE1-CG2 4.01Å; F189-V193 HydrophobicContact CE2-CG2 4.29Å; F189-V193 HydrophobicContact CZ-CG2 4.01Å; F189-V193 WeakPolarHBondContact O-CB 3.49Å; F189-V193 VanDerWaalsContact O-CG2 3.28Å; F189-V193 WeakPolarHBondContact O-CG2 3.38Å; F189-V193 PolarHBondContact O-N 3.44Å; V193-Y197 WeakPolarHBondContact O-CD2 3.47Å; V193-F398 HydrophobicContact CG1-CE2 4.08Å |
| 194 | S | 37.3 | Very low | 41.1 | Very low | 66 Ų | 66 | 91 Ų | 91 | 46% | 0.462 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -85.7 | -43.6 | 174.3 | -51.9 | 0 | 0 | 0 | 0 | 113.9 | A190 D191 T192 Y197 | A190-S194 WeakPolarHBondContact O-CB 3.4Å; A190-S194 PolarHBondContact O-N 3.13Å; A190-S194 PolarHBondContact O-OG 3.48Å; D191-S194 CarbonylContact O-C 3.58Å; D191-S194 WeakPolarHBondContact O-CA 3.38Å; D191-S194 WeakPolarHBondContact O-CB 3.44Å; D191-S194 PolarHBondContact O-N 2.85Å; D191-S194 VanDerWaalsContact O-N 3.13Å; T192-S194 PolarHBondContact O-N 3.02Å; T192-S194 VanDerWaalsContact O-N 3.13Å; S194-Y197 PolarHBondContact O-N 2.82Å |
| 195 | V | 33.6 | Very low | 39.9 | Very low | 72 Ų | 72 | 94.7 Ų | 94.7 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -78.1 | -30.2 | -173.5 | 165.8 | 0 | 0 | 0 | 0 | 112.3 | D191 T192 Y197 I198 | D191-V195 VanDerWaalsContact O-CB 3.23Å; D191-V195 WeakPolarHBondContact O-CB 3.45Å; D191-V195 WeakPolarHBondContact O-CG2 3.33Å; D191-V195 PolarHBondContact O-N 3Å; T192-V195 PolarHBondContact O-N 3.06Å; V195-Y197 PolarHBondContact O-N 3.31Å; V195-Y197 VanDerWaalsContact O-N 3.13Å; V195-I198 HydrophobicContact CG2-CD1 4.24Å; V195-I198 WeakPolarHBondContact O-CB 3.41Å; V195-I198 PolarHBondContact O-N 3.47Å |
| 196 | F | 33.9 | Very low | 38.5 | Very low | 68 Ų | 68 | 100 Ų | 100 | 30% | 0.298 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.2 | 173.3 | -165.4 | -109 | 0 | 0 | 0 | 112.4 | I176 Q177 T192 | I176-F196 HydrophobicContact CG2-CE1 3.35Å; I176-F196 HydrophobicContact CG2-CZ 3.36Å; Q177-F196 WeakPolarHBondContact O-CE2 3.09Å; Q177-F196 WeakPolarHBondContact O-CZ 3.43Å; T192-F196 WeakPolarHBondContact O-CB 3.41Å; T192-F196 PolarHBondContact O-N 2.88Å |
| 197 | Y | 36.5 | Very low | 37.1 | Very low | 87 Ų | 87 | 103.4 Ų | 103.4 | 34% | 0.341 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -18.1 | 172.4 | -77.4 | -88 | 0 | 0 | 0 | 114.4 | V193 S194 V195 F398 | V193-Y197 WeakPolarHBondContact O-CD2 3.47Å; S194-Y197 PolarHBondContact O-N 2.82Å; V195-Y197 PolarHBondContact O-N 3.31Å; V195-Y197 VanDerWaalsContact O-N 3.13Å; Y197-F398 HydrophobicContact CE2-CD1 4.21Å; Y197-F398 HydrophobicContact CE2-CE1 4.22Å; Y197-F398 AromaticContact CZ-CD1 3.91Å; Y197-F398 WeakPolarHBondContact OH-CD1 3.48Å; Y197-F398 VanDerWaalsContact OH-CE1 3.27Å; Y197-F398 WeakPolarHBondContact OH-CE1 3.46Å |
| 198 | I | 32 | Very low | 36.4 | Very low | 116 Ų | 116 | 104.8 Ų | 104.8 | 60% | 0.595 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -73.3 | -28.8 | 178.2 | -64.8 | 178.1 | 0 | 0 | 0 | 111.9 | V195 H200 R201 | V195-I198 HydrophobicContact CG2-CD1 4.24Å; V195-I198 WeakPolarHBondContact O-CB 3.41Å; V195-I198 PolarHBondContact O-N 3.47Å; I198-H200 PolarHBondContact O-N 3.25Å; I198-R201 PolarHBondContact O-N 2.87Å |
| 199 | I | 32 | Very low | 35.2 | Very low | 135 Ų | 135 | 109 Ų | 109 | 69% | 0.692 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -65.6 | -2.4 | -178.8 | -60.5 | 177.6 | 0 | 0 | 0 | 113.1 | ||
| 200 | H | 35.8 | Very low | 33.8 | Very low | 158 Ų | 158 | 112.3 Ų | 112.3 | 73% | 0.731 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -100.6 | 17.1 | 178.4 | -84.5 | 70.8 | 0 | 0 | 0 | 115.9 | I198 | I198-H200 PolarHBondContact O-N 3.25Š|
| 201 | R | 30.2 | Very low | 32.5 | Very low | 180 Ų | 180 | 117 Ų | 117 | 68% | 0.679 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -131.4 | 144.7 | 164.9 | -117.8 | 174.3 | 176.1 | 167 | -2.6 | 111.8 | I198 E402 | I198-R201 PolarHBondContact O-N 2.87Å; R201-E402 IonicContact CZ-OE1 2.81Å; R201-E402 IonicContact NH1-OE1 3.55Å; R201-E402 PolarHBondContact NH1-OE1 2.89Å; R201-E402 IonicContact NH2-OE1 3.54Å; R201-E402 PolarHBondContact NH2-OE1 3.42Å |
| 202 | E | 29 | Very low | 31.4 | Very low | 184 Ų | 184 | 123 Ų | 123 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | trans | 78.4 | 88.4 | 171.6 | -57.7 | -176.5 | 172.1 | 0 | 0 | 118.3 | ||||
| 203 | K | 29.3 | Very low | 30.4 | Very low | 205 Ų | 205 | 129.4 Ų | 129.4 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | trans | -79.7 | 112.4 | 131.6 | -95.4 | -176.3 | 173.7 | 178.5 | 0 | 107.9 | ||||
| 204 | L | 26.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | 158.3 | 135.4 | 133.3 | -87.7 | 159.2 | 0 | 0 | 0 | 112.2 | ||||
| 205 | E | 24.2 | Very low | 28.6 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | 78.2 | 156.7 | 159.2 | -65.9 | 175.6 | -163.5 | 0 | 0 | 119.6 | ||||
| 206 | E | 24.5 | Very low | 28.2 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -116.8 | 138.1 | -138.6 | -59 | 177.7 | 127.5 | 0 | 0 | 115 | ||||
| 207 | S | 24.3 | Very low | 27.8 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 71.6 | 170.9 | 142.3 | 80.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 208 | P | 34.7 | Very low | 27.4 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -135 | 141.9 | -67.9 | 37.4 | -21.8 | 0 | 0 | 0 | 114 | |||||
| 209 | S | 25.2 | Very low | 27.2 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -175.9 | 103.2 | 145.5 | 37.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 210 | G | 24.1 | Very low | 26.9 | Very low | 72 Ų | 72 | 155.9 Ų | 155.9 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -108.2 | 131.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | Q212 | G210-Q212 PolarHBondContact O-N 3.37Š| ||
| 211 | P | 26.1 | Very low | 26.7 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -71.4 | 128.4 | 172.3 | 29 | -32.5 | 0 | 0 | 0 | 110.5 | F213 | P211-F213 HydrophobicContact CB-CD2 4.39Å; P211-F213 HydrophobicContact CB-CE2 4.18Å; P211-F213 PolarHBondContact O-N 3.01Å | ||
| 212 | Q | 26.5 | Very low | 26.6 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -83.3 | 106.3 | -174.6 | -168.4 | 168.9 | 16.4 | 0 | 0 | 110.4 | G210 | G210-Q212 PolarHBondContact O-N 3.37Š| ||
| 213 | F | 25.9 | Very low | 26.9 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 78% | 0.781 | 82% | 0.818 | S | S | * | * | trans | -106.8 | 133.7 | 173.6 | -83.5 | -79.9 | 0 | 0 | 0 | 112.5 | P211 | P211-F213 HydrophobicContact CB-CD2 4.39Å; P211-F213 HydrophobicContact CB-CE2 4.18Å; P211-F213 PolarHBondContact O-N 3.01Å | ||
| 214 | L | 23.4 | Very low | 26.8 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.3 | -164.5 | -68.5 | 138 | 0 | 0 | 0 | 113.4 | Q216 | L214-Q216 PolarHBondContact O-N 3.23Š|
| 215 | L | 22.8 | Very low | 27.4 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123.1 | 148.6 | -78 | 91 | 0 | 0 | 0 | 107.8 | ||
| 216 | Q | 25.8 | Very low | 27.8 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 137.4 | 157.5 | -77.6 | -173.4 | -19 | 0 | 0 | 109.1 | L214 | L214-Q216 PolarHBondContact O-N 3.23Š|
| 217 | N | 26 | Very low | 28.3 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 143 | -160.4 | -61.6 | -47.2 | 0 | 0 | 0 | 113.2 | D219 | N217-D219 PolarHBondContact O-N 3.4Š|
| 218 | L | 26.7 | Very low | 28.8 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 93.8 | 156 | -73.5 | 166.2 | 0 | 0 | 0 | 107.7 | Q220 | L218-Q220 PolarHBondContact O-N 2.64Š| ||
| 219 | D | 29.6 | Very low | 28.9 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 130.5 | 177.1 | -75 | -30.2 | 0 | 0 | 0 | 111.2 | N217 | N217-D219 PolarHBondContact O-N 3.4Š| ||
| 220 | Q | 25.5 | Very low | 29.6 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -75.4 | 151.1 | 168.6 | -67.4 | -175 | -6 | 0 | 0 | 109.8 | L218 S222 | L218-Q220 PolarHBondContact O-N 2.64Å; Q220-S222 PolarHBondContact O-N 3.19Å; Q220-S222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | P | 31.3 | Very low | 30.7 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 84% | 0.844 | 76% | 0.762 | S | S | * | * | trans | -70.5 | 111.7 | -179.1 | 28.8 | -33.7 | 0 | 0 | 0 | 110.8 | ||||
| 222 | S | 27.2 | Very low | 32 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -73 | 127.1 | 161.8 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | Q220 D224 | Q220-S222 PolarHBondContact O-N 3.19Å; Q220-S222 VanDerWaalsContact O-N 3.13Å; S222-D224 PolarHBondContact O-N 2.85Å; S222-D224 VanDerWaalsContact O-N 3.14Å | ||
| 223 | E | 35.2 | Very low | 33.4 | Very low | 201 Ų | 201 | 132.9 Ų | 132.9 | 94% | 0.939 | 70% | 0.7 | S | S | * | * | trans | -66 | 107.3 | 164.2 | -66.3 | -174.4 | 148.7 | 0 | 0 | 108.9 | ||||
| 224 | D | 27.8 | Very low | 35.3 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | trans | -139.1 | 140.4 | 162.9 | -154.9 | -11.4 | 0 | 0 | 0 | 110.6 | S222 | S222-D224 PolarHBondContact O-N 2.85Å; S222-D224 VanDerWaalsContact O-N 3.14Å | ||
| 225 | N | 39.2 | Very low | 37.8 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 87% | 0.872 | 67% | 0.668 | S | S | * | * | trans | -125.1 | 73.5 | -157 | -161.9 | 5 | 0 | 0 | 0 | 109.6 | ||||
| 226 | S | 32.4 | Very low | 40.5 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | trans | -146.8 | 124.2 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | V228 | S226-V228 PolarHBondContact O-N 3.43Š| ||
| 227 | N | 34.2 | Very low | 43.1 | Very low | 158 Ų | 158 | 117.9 Ų | 117.9 | 85% | 0.845 | 62% | 0.618 | S | S | * | * | trans | 34.2 | 80.1 | 162.4 | -68.8 | -22.6 | 0 | 0 | 0 | 118 | H229 | N227-H229 VanDerWaalsContact C-N 3.31Å; N227-H229 PolarHBondContact O-N 3.42Å | ||
| 228 | V | 35.2 | Very low | 45.7 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 64% | 0.642 | 62% | 0.619 | S | S | * | * | trans | -63.6 | 94.2 | 158.9 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | S226 V230 T236 | S226-V228 PolarHBondContact O-N 3.43Å; V228-V230 PolarHBondContact O-N 3.18Å; V228-T236 HydrophobicContact CG1-CG2 3.77Å | ||
| 229 | H | 36.2 | Very low | 48.4 | Very low | 134 Ų | 134 | 113.6 Ų | 113.6 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | trans | -69.7 | 99.7 | 174.9 | -140.3 | -58.8 | 0 | 0 | 0 | 108.3 | N227 L231 | N227-H229 VanDerWaalsContact C-N 3.31Å; N227-H229 PolarHBondContact O-N 3.42Å; H229-L231 PolarHBondContact O-N 3.03Å | ||
| 230 | V | 39.8 | Very low | 51 | Low | 90 Ų | 90 | 108.8 Ų | 108.8 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | trans | -61.9 | 111.3 | 179 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | V228 K233 | V228-V230 PolarHBondContact O-N 3.18Å; V230-K233 WeakPolarHBondContact CG1-O 3.45Å | ||
| 231 | L | 48.1 | Very low | 54 | Low | 80 Ų | 80 | 105.7 Ų | 105.7 | 42% | 0.419 | 56% | 0.556 | S | S | . | * | trans | -94.8 | 113.8 | 171.7 | -74.4 | 179.3 | 0 | 0 | 0 | 106.3 | H229 E235 Q237 | H229-L231 PolarHBondContact O-N 3.03Å; L231-E235 PolarHBondContact N-O 2.97Å; L231-Q237 HydrophobicContact CD1-CB 4.34Å; L231-Q237 HydrophobicContact CD1-CG 3.79Å; L231-Q237 HydrophobicContact CG-CG 4.06Å | ||
| 232 | Y | 52.6 | Low | 56.7 | Low | 63 Ų | 63 | 105.9 Ų | 105.9 | 25% | 0.247 | 54% | 0.544 | C | S | . | . | S | Bend | trans | 25.8 | 120.4 | 172.3 | 155.7 | -120.4 | 0 | 0 | 0 | 115.4 | I320 F324 | Y232-I320 HydrophobicContact CE1-CG2 3.57Å; Y232-I320 WeakPolarHBondContact OH-CG2 3.41Å; Y232-F324 HydrophobicContact CD2-CB 3.03Å; Y232-F324 HydrophobicContact CD2-CD1 4.2Å; Y232-F324 HydrophobicContact CD2-CD2 4.48Å; Y232-F324 AromaticContact CD2-CG 3.77Å; Y232-F324 HydrophobicContact CD2-CG 3.77Å; Y232-F324 HydrophobicContact CE1-CD2 4.49Å; Y232-F324 HydrophobicContact CE2-CB 2.93Å; Y232-F324 AromaticContact CE2-CD1 3.33Å; Y232-F324 HydrophobicContact CE2-CD1 3.33Å; Y232-F324 AromaticContact CE2-CD2 3.6Å; Y232-F324 HydrophobicContact CE2-CD2 3.6Å; Y232-F324 HydrophobicContact CE2-CE1 4.11Å; Y232-F324 HydrophobicContact CE2-CE2 4.28Å; Y232-F324 AromaticContact CE2-CG 3.06Å; Y232-F324 HydrophobicContact CE2-CG 3.06Å; Y232-F324 HydrophobicContact CG-CB 4.02Å; Y232-F324 AromaticContact CZ-CD2 3.55Å; Y232-F324 AromaticContact CZ-CE2 3.99Å; Y232-F324 AromaticContact CZ-CG 3.56Å; Y232-F324 VanDerWaalsContact OH-CD2 3.27Å; Y232-F324 WeakPolarHBondContact OH-CD2 3.47Å; Y232-F324 WeakPolarHBondContact OH-CE2 3.44Å |
| 233 | K | 57.2 | Low | 59.7 | Low | 23 Ų | 23 | 103 Ų | 103 | 10% | 0.1 | 52% | 0.518 | C | S | . | . | S | Bend | trans | 79.7 | 175.8 | -167.8 | -151.4 | 177.1 | -165.1 | 165.2 | 0 | 106.7 | V230 E235 S282 I283 D285 | V230-K233 WeakPolarHBondContact CG1-O 3.45Å; K233-E235 HydrophobicContact CB-CB 4.13Å; K233-E235 PolarHBondContact O-N 3Å; K233-S282 VanDerWaalsContact CG-C 3.45Å; K233-S282 WeakPolarHBondContact CG-O 2.9Å; K233-I283 VanDerWaalsContact CE-O 3.27Å; K233-I283 WeakPolarHBondContact CE-O 3.41Å; K233-D285 IonicContact NZ-OD1 3.61Å; K233-D285 PolarHBondContact NZ-OD1 2.65Å |
| 234 | R | 65.8 | Low | 62.4 | Low | 209 Ų | 209 | 96.5 Ų | 96.5 | 79% | 0.789 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -75.5 | 39 | 171.9 | -68.7 | -176.4 | 170.6 | -174.8 | -3.3 | 112.2 | S282 | R234-S282 PolarHBondContact N-O 2.8Š|
| 235 | E | 74.6 | Confident | 65.4 | Low | 24 Ų | 24 | 94.6 Ų | 94.6 | 11% | 0.112 | 48% | 0.482 | C | S | . | . | trans | -99.7 | 136.7 | -170 | -170.8 | 162.2 | 170.4 | 0 | 0 | 110.2 | L231 K233 D239 K243 | L231-E235 PolarHBondContact N-O 2.97Å; K233-E235 HydrophobicContact CB-CB 4.13Å; K233-E235 PolarHBondContact O-N 3Å; E235-D239 HydrophobicContact CG-CB 3.56Å; E235-K243 VanDerWaalsContact OE1-CD 3.23Å; E235-K243 WeakPolarHBondContact OE1-CD 3.26Å; E235-K243 WeakPolarHBondContact OE1-CE 3.15Å; E235-K243 IonicContact OE1-NZ 3.56Å; E235-K243 PolarHBondContact OE1-NZ 3.12Å; E235-K243 IonicContact OE2-NZ 3.77Å; E235-K243 PolarHBondContact OE2-NZ 3Å | ||
| 236 | T | 80.7 | Confident | 67.8 | Low | 37 Ų | 37 | 89.4 Ų | 89.4 | 23% | 0.227 | 45% | 0.452 | C | S | . | . | trans | -86.9 | 163.5 | 179.1 | 72.8 | 0 | 0 | 0 | 0 | 111.2 | V228 M238 D239 S240 | V228-T236 HydrophobicContact CG1-CG2 3.77Å; T236-M238 PolarHBondContact O-N 3.28Å; T236-M238 PolarHBondContact OG1-N 3.31Å; T236-D239 WeakPolarHBondContact CB-OD2 3.41Å; T236-D239 WeakPolarHBondContact CG2-OD2 3.23Å; T236-D239 PolarHBondContact N-OD2 2.94Å; T236-D239 VanDerWaalsContact N-OD2 3.09Å; T236-D239 PolarHBondContact O-N 3.33Å; T236-D239 VanDerWaalsContact OG1-CG 3.22Å; T236-D239 PolarHBondContact OG1-N 3.43Å; T236-D239 VanDerWaalsContact OG1-N 3.15Å; T236-D239 PolarHBondContact OG1-OD2 2.87Å; T236-S240 PolarHBondContact O-N 2.84Å; T236-S240 VanDerWaalsContact O-N 3.09Å | ||
| 237 | Q | 80.1 | Confident | 70.7 | Confident | 90 Ų | 90 | 87.8 Ų | 87.8 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.6 | -37.7 | 172.6 | -59 | -162.1 | -16.3 | 0 | 0 | 112.1 | L231 S240 Q241 | L231-Q237 HydrophobicContact CD1-CB 4.34Å; L231-Q237 HydrophobicContact CD1-CG 3.79Å; L231-Q237 HydrophobicContact CG-CG 4.06Å; Q237-S240 PolarHBondContact O-N 2.88Å; Q237-Q241 WeakPolarHBondContact O-CB 3.27Å; Q237-Q241 VanDerWaalsContact O-CG 3.29Å; Q237-Q241 WeakPolarHBondContact O-CG 3.28Å; Q237-Q241 PolarHBondContact O-N 3.31Å |
| 238 | M | 81.3 | Confident | 73.6 | Confident | 145 Ų | 145 | 87.1 Ų | 87.1 | 71% | 0.714 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.9 | -40.2 | 177.3 | -64.7 | -165.1 | -65.6 | 0 | 0 | 112.3 | T236 K242 | T236-M238 PolarHBondContact O-N 3.28Å; T236-M238 PolarHBondContact OG1-N 3.31Å; M238-K242 VanDerWaalsContact O-CB 3.24Å; M238-K242 WeakPolarHBondContact O-CB 3.48Å; M238-K242 PolarHBondContact O-N 3.3Å |
| 239 | D | 83.2 | Confident | 76.2 | Confident | 69 Ų | 69 | 85.5 Ų | 85.5 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 176.1 | -65.3 | -54.9 | 0 | 0 | 0 | 111.4 | E235 T236 K242 K243 | E235-D239 HydrophobicContact CG-CB 3.56Å; T236-D239 WeakPolarHBondContact CB-OD2 3.41Å; T236-D239 WeakPolarHBondContact CG2-OD2 3.23Å; T236-D239 PolarHBondContact N-OD2 2.94Å; T236-D239 VanDerWaalsContact N-OD2 3.09Å; T236-D239 PolarHBondContact O-N 3.33Å; T236-D239 VanDerWaalsContact OG1-CG 3.22Å; T236-D239 PolarHBondContact OG1-N 3.43Å; T236-D239 VanDerWaalsContact OG1-N 3.15Å; T236-D239 PolarHBondContact OG1-OD2 2.87Å; D239-K242 WeakPolarHBondContact O-CB 3.06Å; D239-K242 PolarHBondContact O-N 3.3Å; D239-K243 WeakPolarHBondContact O-CG 3.46Å; D239-K243 PolarHBondContact O-N 2.84Å |
| 240 | S | 84.4 | Confident | 78.9 | Confident | 43 Ų | 43 | 85.7 Ų | 85.7 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 178.8 | 178.8 | 0 | 0 | 0 | 0 | 112 | T236 Q237 K242 K243 T244 | T236-S240 PolarHBondContact O-N 2.84Å; T236-S240 VanDerWaalsContact O-N 3.09Å; Q237-S240 PolarHBondContact O-N 2.88Å; S240-K242 PolarHBondContact O-N 3.42Å; S240-K243 PolarHBondContact O-N 3.11Å; S240-T244 WeakPolarHBondContact O-CB 3.34Å; S240-T244 PolarHBondContact O-N 2.9Å; S240-T244 PolarHBondContact O-OG1 3.06Å |
| 241 | Q | 87.1 | Confident | 81.4 | Confident | 116 Ų | 116 | 85.4 Ų | 85.4 | 54% | 0.542 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 172.6 | -73.9 | 174.5 | 2 | 0 | 0 | 111.6 | Q237 T244 N245 | Q237-Q241 WeakPolarHBondContact O-CB 3.27Å; Q237-Q241 VanDerWaalsContact O-CG 3.29Å; Q237-Q241 WeakPolarHBondContact O-CG 3.28Å; Q237-Q241 PolarHBondContact O-N 3.31Å; Q241-T244 WeakPolarHBondContact O-CB 3.47Å; Q241-T244 PolarHBondContact O-N 3.03Å; Q241-N245 VanDerWaalsContact O-CG 3.26Å; Q241-N245 PolarHBondContact O-N 3.29Å |
| 242 | K | 88.4 | Confident | 83.6 | Confident | 134 Ų | 134 | 81.8 Ų | 81.8 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.4 | -46.3 | 177.7 | -176.9 | 176.4 | -177.5 | 174.2 | 0 | 112.1 | M238 D239 S240 T244 N245 Q246 | M238-K242 VanDerWaalsContact O-CB 3.24Å; M238-K242 WeakPolarHBondContact O-CB 3.48Å; M238-K242 PolarHBondContact O-N 3.3Å; D239-K242 WeakPolarHBondContact O-CB 3.06Å; D239-K242 PolarHBondContact O-N 3.3Å; S240-K242 PolarHBondContact O-N 3.42Å; K242-T244 VanDerWaalsContact C-N 3.33Å; K242-T244 PolarHBondContact O-N 2.87Å; K242-N245 PolarHBondContact O-N 3.37Å; K242-Q246 WeakPolarHBondContact O-CG 3.14Å; K242-Q246 PolarHBondContact O-N 3.03Å |
| 243 | K | 90.9 | Very high | 85.7 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 20% | 0.2 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 175.6 | -68.6 | -178.1 | -161.3 | 178 | 0 | 112 | E235 D239 S240 Q246 N247 D285 | E235-K243 VanDerWaalsContact OE1-CD 3.23Å; E235-K243 WeakPolarHBondContact OE1-CD 3.26Å; E235-K243 WeakPolarHBondContact OE1-CE 3.15Å; E235-K243 IonicContact OE1-NZ 3.56Å; E235-K243 PolarHBondContact OE1-NZ 3.12Å; E235-K243 IonicContact OE2-NZ 3.77Å; E235-K243 PolarHBondContact OE2-NZ 3Å; D239-K243 WeakPolarHBondContact O-CG 3.46Å; D239-K243 PolarHBondContact O-N 2.84Å; S240-K243 PolarHBondContact O-N 3.11Å; K243-Q246 PolarHBondContact O-N 2.91Å; K243-N247 WeakPolarHBondContact O-CB 3.48Å; K243-N247 PolarHBondContact O-N 3.2Å; K243-D285 IonicContact NZ-OD1 2.66Å; K243-D285 PolarHBondContact NZ-OD1 2.81Å |
| 244 | T | 90.5 | Very high | 87.6 | Confident | 63 Ų | 63 | 82.7 Ų | 82.7 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.2 | -61 | 0 | 0 | 0 | 0 | 111.2 | S240 Q241 K242 N247 K248 | S240-T244 WeakPolarHBondContact O-CB 3.34Å; S240-T244 PolarHBondContact O-N 2.9Å; S240-T244 PolarHBondContact O-OG1 3.06Å; Q241-T244 WeakPolarHBondContact O-CB 3.47Å; Q241-T244 PolarHBondContact O-N 3.03Å; K242-T244 VanDerWaalsContact C-N 3.33Å; K242-T244 PolarHBondContact O-N 2.87Å; T244-N247 PolarHBondContact O-N 3.31Å; T244-K248 HydrophobicContact CG2-CD 4.44Å; T244-K248 WeakPolarHBondContact O-CG 3.45Å; T244-K248 PolarHBondContact O-N 3.11Å |
| 245 | N | 91 | Very high | 89.2 | Confident | 101 Ų | 101 | 72.7 Ų | 72.7 | 54% | 0.54 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 177.6 | -67.9 | -11.8 | 0 | 0 | 0 | 111.7 | Q241 K242 N247 K248 D249 | Q241-N245 VanDerWaalsContact O-CG 3.26Å; Q241-N245 PolarHBondContact O-N 3.29Å; K242-N245 PolarHBondContact O-N 3.37Å; N245-N247 VanDerWaalsContact C-N 3.3Å; N245-N247 PolarHBondContact O-N 3.03Å; N245-K248 PolarHBondContact O-N 3.38Å; N245-D249 PolarHBondContact O-N 3.11Å |
| 246 | Q | 90.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 75.8 Ų | 75.8 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.1 | -40.4 | 172.9 | -72.7 | -174.9 | -41.6 | 0 | 0 | 112.5 | K242 K243 K248 D249 R293 | K242-Q246 WeakPolarHBondContact O-CG 3.14Å; K242-Q246 PolarHBondContact O-N 3.03Å; K243-Q246 PolarHBondContact O-N 2.91Å; Q246-K248 PolarHBondContact O-N 3.31Å; Q246-D249 PolarHBondContact O-N 3.11Å; Q246-R293 HydrophobicContact CB-CB 3.92Å; Q246-R293 HydrophobicContact CB-CG 3.9Å |
| 247 | N | 93.8 | Very high | 91 | Very high | 59 Ų | 59 | 78.4 Ų | 78.4 | 32% | 0.316 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -72 | -13.6 | 177.3 | -82.1 | -27.7 | 0 | 0 | 0 | 114.3 | K243 T244 N245 S291 R292 R293 | K243-N247 WeakPolarHBondContact O-CB 3.48Å; K243-N247 PolarHBondContact O-N 3.2Å; T244-N247 PolarHBondContact O-N 3.31Å; N245-N247 VanDerWaalsContact C-N 3.3Å; N245-N247 PolarHBondContact O-N 3.03Å; N247-S291 WeakPolarHBondContact OD1-CA 3.39Å; N247-S291 WeakPolarHBondContact OD1-CB 3.46Å; N247-R292 PolarHBondContact OD1-N 3.04Å; N247-R293 WeakPolarHBondContact OD1-CG 3.4Å |
| 248 | K | 93.4 | Very high | 91.8 | Very high | 143 Ų | 143 | 75.2 Ų | 75.2 | 62% | 0.622 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -91.4 | -11.4 | 175.7 | -73.3 | 171.9 | 179.6 | 176.8 | 0 | 113.4 | T244 N245 Q246 L250 | T244-K248 HydrophobicContact CG2-CD 4.44Å; T244-K248 WeakPolarHBondContact O-CG 3.45Å; T244-K248 PolarHBondContact O-N 3.11Å; N245-K248 PolarHBondContact O-N 3.38Å; Q246-K248 PolarHBondContact O-N 3.31Å; K248-L250 PolarHBondContact O-N 3.36Å; K248-L250 VanDerWaalsContact O-N 3.11Å |
| 249 | D | 91.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 70.2 Ų | 70.2 | 39% | 0.385 | 36% | 0.358 | S | S | . | . | trans | -71.4 | 104 | 178.3 | -172.4 | -13.4 | 0 | 0 | 0 | 110.3 | N245 Q246 S251 V252 R292 | N245-D249 PolarHBondContact O-N 3.11Å; Q246-D249 PolarHBondContact O-N 3.11Å; D249-S251 PolarHBondContact O-N 3.07Å; D249-S251 WeakPolarHBondContact OD1-CB 3.3Å; D249-S251 PolarHBondContact OD1-N 2.86Å; D249-S251 PolarHBondContact OD1-OG 3.19Å; D249-S251 PolarHBondContact OD2-OG 3.08Å; D249-V252 HydrophobicContact CB-CG2 4.39Å; D249-V252 PolarHBondContact O-N 3.4Å; D249-R292 WeakPolarHBondContact O-CD 3.33Å | ||
| 250 | L | 93 | Very high | 93 | Very high | 138 Ų | 138 | 69.1 Ų | 69.1 | 72% | 0.723 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -13.6 | -177.6 | -62.3 | -180 | 0 | 0 | 0 | 113.5 | K248 V252 R292 | K248-L250 PolarHBondContact O-N 3.36Å; K248-L250 VanDerWaalsContact O-N 3.11Å; L250-V252 VanDerWaalsContact C-N 3.26Å; L250-R292 PolarHBondContact O-NH1 3.49Å |
| 251 | S | 92 | Very high | 93.2 | Very high | 85 Ų | 85 | 70.6 Ų | 70.6 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -21.3 | 175.2 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | G155 D249 | G155-S251 WeakPolarHBondContact CA-O 3.18Å; D249-S251 PolarHBondContact O-N 3.07Å; D249-S251 WeakPolarHBondContact OD1-CB 3.3Å; D249-S251 PolarHBondContact OD1-N 2.86Å; D249-S251 PolarHBondContact OD1-OG 3.19Å; D249-S251 PolarHBondContact OD2-OG 3.08Å |
| 252 | V | 93.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.024 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -94.5 | 128.4 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | G155 P157 D249 L250 R292 | G155-V252 WeakPolarHBondContact O-CA 3.23Å; P157-V252 HydrophobicContact CB-CG1 3.92Å; D249-V252 HydrophobicContact CB-CG2 4.39Å; D249-V252 PolarHBondContact O-N 3.4Å; L250-V252 VanDerWaalsContact C-N 3.26Å; V252-R292 HydrophobicContact CB-CB 4.28Å; V252-R292 HydrophobicContact CG1-CB 4.23Å; V252-R292 VanDerWaalsContact CG1-O 3.27Å; V252-R292 WeakPolarHBondContact CG1-O 3.2Å; V252-R292 VanDerWaalsContact O-CD 3.25Å; V252-R292 WeakPolarHBondContact O-CD 3.47Å; V252-R292 PolarHBondContact O-NH1 3.25Å |
| 253 | Q | 95.8 | Very high | 92.3 | Very high | 61 Ų | 61 | 74 Ų | 74 | 29% | 0.285 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 167.2 | 178.9 | -68.3 | 176.6 | -7.1 | 0 | 0 | 112.5 | G155 P157 Y258 | G155-Q253 PolarHBondContact O-N 3.44Å; P157-Q253 WeakPolarHBondContact CB-O 3.5Å; P157-Q253 WeakPolarHBondContact CG-O 3.4Å; Q253-Y258 HydrophobicContact CB-CE2 3.94Å; Q253-Y258 VanDerWaalsContact OE1-CZ 3.26Å; Q253-Y258 PolarHBondContact OE1-OH 2.79Å |
| 254 | Q | 98.1 | Very high | 91.8 | Very high | 43 Ų | 43 | 77 Ų | 77 | 20% | 0.201 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 150.3 | 179.6 | -66.5 | -173.1 | -63.5 | 0 | 0 | 110.8 | Q256 D257 Y258 H290 S291 R292 | Q254-Q256 HydrophobicContact CB-CG 3.9Å; Q254-Q256 PolarHBondContact O-N 2.88Å; Q254-Q256 VanDerWaalsContact OE1-NE2 3.17Å; Q254-D257 PolarHBondContact N-OD2 3.4Å; Q254-D257 WeakPolarHBondContact O-CB 3.47Å; Q254-D257 PolarHBondContact O-N 2.8Å; Q254-D257 VanDerWaalsContact O-N 3.08Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.32Å; Q254-H290 PolarHBondContact NE2-O 3.45Å; Q254-S291 WeakPolarHBondContact CA-O 3.38Å; Q254-R292 HydrophobicContact CG-CG 3.91Å |
| 255 | I | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -57 | -35.4 | 178.7 | -77.1 | 179.7 | 0 | 0 | 0 | 111.8 | P157 D257 Y258 L259 V287 P289 S291 L312 F347 | P157-I255 HydrophobicContact CB-CG1 4.06Å; P157-I255 HydrophobicContact CG-CG1 4.15Å; I255-D257 PolarHBondContact O-N 3.31Å; I255-D257 VanDerWaalsContact O-N 3.14Å; I255-Y258 WeakPolarHBondContact O-CB 3.36Å; I255-Y258 PolarHBondContact O-N 2.82Å; I255-L259 HydrophobicContact CG2-CD2 3.88Å; I255-L259 HydrophobicContact CG2-CG 4.22Å; I255-L259 WeakPolarHBondContact O-CG 3.41Å; I255-L259 PolarHBondContact O-N 2.92Å; I255-V287 HydrophobicContact CD1-CB 3.81Å; I255-V287 HydrophobicContact CD1-CG1 4.31Å; I255-V287 HydrophobicContact CD1-CG2 3.65Å; I255-P289 PolarHBondContact N-O 2.96Å; I255-S291 WeakPolarHBondContact CG1-O 3.31Å; I255-S291 PolarHBondContact N-O 3.1Å; I255-L312 HydrophobicContact CG2-CD1 4.13Å; I255-F347 HydrophobicContact CD1-CZ 4.21Å; I255-F347 HydrophobicContact CG2-CE1 3.61Å; I255-F347 HydrophobicContact CG2-CZ 3.82Å |
| 256 | Q | 97.4 | Very high | 91.5 | Very high | 89 Ų | 89 | 74.4 Ų | 74.4 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -53.7 | -31.3 | 177.6 | 74.8 | -166.1 | 22.4 | 0 | 0 | 113.3 | Q254 Y258 L259 P289 | Q254-Q256 HydrophobicContact CB-CG 3.9Å; Q254-Q256 PolarHBondContact O-N 2.88Å; Q254-Q256 VanDerWaalsContact OE1-NE2 3.17Å; Q256-Y258 PolarHBondContact O-N 3.23Å; Q256-Y258 VanDerWaalsContact O-N 3.15Å; Q256-L259 PolarHBondContact O-N 3.31Å; Q256-P289 HydrophobicContact CB-CB 3.82Å; Q256-P289 WeakPolarHBondContact CB-O 3.42Å; Q256-P289 PolarHBondContact N-O 3.21Å |
| 257 | D | 96.6 | Very high | 91.2 | Very high | 92 Ų | 92 | 73.9 Ų | 73.9 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -70.4 | -10 | -178.3 | -47.4 | -34 | 0 | 0 | 0 | 111.7 | Q254 I255 | Q254-D257 PolarHBondContact N-OD2 3.4Å; Q254-D257 WeakPolarHBondContact O-CB 3.47Å; Q254-D257 PolarHBondContact O-N 2.8Å; Q254-D257 VanDerWaalsContact O-N 3.08Å; I255-D257 PolarHBondContact O-N 3.31Å; I255-D257 VanDerWaalsContact O-N 3.14Å |
| 258 | Y | 97.6 | Very high | 91 | Very high | 22 Ų | 22 | 78.9 Ų | 78.9 | 9% | 0.086 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -116.6 | -5.2 | -178.5 | -62.9 | -100.8 | 0 | 0 | 0 | 113.4 | V156 P157 Q253 Q254 I255 Q256 N354 L355 | V156-Y258 HydrophobicContact CG1-CE1 4.15Å; P157-Y258 VanDerWaalsContact CD-CE2 3.44Å; P157-Y258 HydrophobicContact CG-CD2 3.94Å; P157-Y258 HydrophobicContact CG-CE2 3.74Å; Q253-Y258 HydrophobicContact CB-CE2 3.94Å; Q253-Y258 VanDerWaalsContact OE1-CZ 3.26Å; Q253-Y258 PolarHBondContact OE1-OH 2.79Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.32Å; I255-Y258 WeakPolarHBondContact O-CB 3.36Å; I255-Y258 PolarHBondContact O-N 2.82Å; Q256-Y258 PolarHBondContact O-N 3.23Å; Q256-Y258 VanDerWaalsContact O-N 3.15Å; Y258-N354 VanDerWaalsContact CD1-C 3.49Å; Y258-N354 HydrophobicContact CD1-CB 3.93Å; Y258-N354 WeakPolarHBondContact CD1-O 3.34Å; Y258-N354 WeakPolarHBondContact CE1-O 3.37Å; Y258-N354 PolarHBondContact O-ND2 3.26Å; Y258-L355 HydrophobicContact CD1-CD2 3.68Å; Y258-L355 HydrophobicContact CD1-CG 4.04Å; Y258-L355 HydrophobicContact CD2-CD2 3.94Å; Y258-L355 HydrophobicContact CE1-CD2 4.2Å; Y258-L355 HydrophobicContact CE2-CD2 4.48Å; Y258-L355 HydrophobicContact CG-CD2 3.53Å; Y258-L355 HydrophobicContact CG-CG 4.06Å |
| 259 | L | 96.7 | Very high | 91 | Very high | 40 Ų | 40 | 77.1 Ų | 77.1 | 21% | 0.209 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 150.8 | -178.6 | -62.7 | -177.3 | 0 | 0 | 0 | 111.6 | I255 Q256 P289 L312 F347 E351 | I255-L259 HydrophobicContact CG2-CD2 3.88Å; I255-L259 HydrophobicContact CG2-CG 4.22Å; I255-L259 WeakPolarHBondContact O-CG 3.41Å; I255-L259 PolarHBondContact O-N 2.92Å; Q256-L259 PolarHBondContact O-N 3.31Å; L259-P289 HydrophobicContact CD1-CB 4.17Å; L259-P289 HydrophobicContact CD1-CG 4.28Å; L259-L312 HydrophobicContact CD1-CD2 3.81Å; L259-L312 HydrophobicContact CD2-CD2 3.74Å; L259-L312 HydrophobicContact CG-CD2 4.46Å; L259-F347 HydrophobicContact CD2-CD1 4.02Å; L259-F347 HydrophobicContact CD2-CE1 3.68Å; L259-E351 WeakPolarHBondContact CA-OE1 3.26Å; L259-E351 HydrophobicContact CD2-CG 4.5Å; L259-E351 WeakPolarHBondContact CD2-OE1 3.32Å |
| 260 | E | 93.3 | Very high | 91.1 | Very high | 47 Ų | 47 | 75 Ų | 75 | 22% | 0.22 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 146.7 | 170 | -74 | 178.5 | 110.2 | 0 | 0 | 110.8 | Q262 I265 T348 R350 E351 | E260-Q262 PolarHBondContact O-N 3.13Å; E260-I265 HydrophobicContact CB-CD1 3.86Å; E260-I265 HydrophobicContact CB-CG1 3.87Å; E260-T348 WeakPolarHBondContact OE2-CB 3.48Å; E260-T348 WeakPolarHBondContact OE2-CG2 3.29Å; E260-T348 PolarHBondContact OE2-OG1 3.43Å; E260-R350 HydrophobicContact CG-CB 4.37Å; E260-R350 HydrophobicContact CG-CG 4.1Å; E260-R350 WeakPolarHBondContact OE1-CB 3.48Å; E260-R350 WeakPolarHBondContact OE1-CG 3.44Å; E260-E351 HydrophobicContact CB-CG 4.33Å; E260-E351 HydrophobicContact CG-CG 3.99Å; E260-E351 PolarHBondContact N-OE1 3.06Å |
| 261 | P | 88.4 | Confident | 91.3 | Very high | 74 Ų | 74 | 71 Ų | 71 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -55 | 129.4 | 169.4 | -24.2 | 34.1 | 0 | 0 | 0 | 110.2 | M263 N264 | P261-M263 HydrophobicContact CB-CG 4.23Å; P261-M263 PolarHBondContact O-N 3.13Å; P261-N264 WeakPolarHBondContact O-CB 3.34Å; P261-N264 PolarHBondContact O-N 2.82Å |
| 262 | Q | 78.1 | Confident | 91.4 | Very high | 147 Ų | 147 | 67.3 Ų | 67.3 | 69% | 0.687 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -54.7 | -30.2 | -172.4 | -68.6 | -176.7 | -4.5 | 0 | 0 | 113.9 | E260 N264 I265 | E260-Q262 PolarHBondContact O-N 3.13Å; Q262-N264 PolarHBondContact O-N 3.24Å; Q262-I265 PolarHBondContact O-N 2.95Å |
| 263 | M | 79 | Confident | 91.5 | Very high | 174 Ų | 174 | 74.3 Ų | 74.3 | 86% | 0.857 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -63.3 | -18.1 | 176.5 | 67.4 | -174.2 | 73.4 | 0 | 0 | 114.6 | P261 | P261-M263 HydrophobicContact CB-CG 4.23Å; P261-M263 PolarHBondContact O-N 3.13Å |
| 264 | N | 80.4 | Confident | 91.4 | Very high | 110 Ų | 110 | 74.4 Ų | 74.4 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -95.2 | -5.9 | 179 | -62.8 | -11.3 | 0 | 0 | 0 | 112.8 | P261 Q262 | P261-N264 WeakPolarHBondContact O-CB 3.34Å; P261-N264 PolarHBondContact O-N 2.82Å; Q262-N264 PolarHBondContact O-N 3.24Å |
| 265 | I | 84.5 | Confident | 91.2 | Very high | 16 Ų | 16 | 81.1 Ų | 81.1 | 8% | 0.082 | 40% | 0.402 | C | S | . | . | trans | -108.2 | 119 | -173.9 | -48.1 | 177.3 | 0 | 0 | 0 | 109.8 | E260 Q262 M267 Y270 T348 | E260-I265 HydrophobicContact CB-CD1 3.86Å; E260-I265 HydrophobicContact CB-CG1 3.87Å; Q262-I265 PolarHBondContact O-N 2.95Å; I265-M267 VanDerWaalsContact C-N 3.3Å; I265-M267 HydrophobicContact CB-CG 4.48Å; I265-M267 HydrophobicContact CB-SD 4.25Å; I265-M267 HydrophobicContact CG2-CG 4.35Å; I265-M267 HydrophobicContact CG2-SD 3.94Å; I265-M267 PolarHBondContact O-N 2.76Å; I265-Y270 HydrophobicContact CG2-CD2 3.62Å; I265-Y270 HydrophobicContact CG2-CE2 3.85Å; I265-T348 HydrophobicContact CD1-CG2 4.19Å; I265-T348 HydrophobicContact CG1-CG2 4.36Å; I265-T348 HydrophobicContact CG2-CG2 3.92Å | ||
| 266 | D | 88.9 | Confident | 91 | Very high | 92 Ų | 92 | 82.6 Ų | 82.6 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | trans | -70.4 | 92.1 | 158.8 | -178.6 | -6.1 | 0 | 0 | 0 | 108.8 | E268 L269 Y270 | D266-E268 PolarHBondContact O-N 2.89Å; D266-E268 PolarHBondContact OD1-N 3.37Å; D266-L269 HydrophobicContact CB-CD1 3.88Å; D266-L269 HydrophobicContact CB-CG 4.1Å; D266-L269 PolarHBondContact O-N 3.13Å; D266-L269 WeakPolarHBondContact OD2-CG 3.43Å; D266-Y270 VanDerWaalsContact O-CD2 3.23Å; D266-Y270 WeakPolarHBondContact O-CD2 3.27Å | ||
| 267 | M | 85.6 | Confident | 90.8 | Very high | 44 Ų | 44 | 78.6 Ų | 78.6 | 22% | 0.217 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -59.9 | -32.9 | -173.2 | -71.5 | -73.7 | -72.9 | 0 | 0 | 112.6 | I265 L269 Y270 L271 C314 | I265-M267 VanDerWaalsContact C-N 3.3Å; I265-M267 HydrophobicContact CB-CG 4.48Å; I265-M267 HydrophobicContact CB-SD 4.25Å; I265-M267 HydrophobicContact CG2-CG 4.35Å; I265-M267 HydrophobicContact CG2-SD 3.94Å; I265-M267 PolarHBondContact O-N 2.76Å; M267-L269 PolarHBondContact O-N 2.85Å; M267-Y270 PolarHBondContact O-N 3.23Å; M267-L271 WeakPolarHBondContact O-CG 3.38Å; M267-L271 PolarHBondContact O-N 2.92Å; M267-L271 VanDerWaalsContact O-N 3.12Å; M267-C314 HydrophobicContact CE-CB 4.28Å |
| 268 | E | 89.9 | Confident | 90.6 | Very high | 164 Ų | 164 | 77.2 Ų | 77.2 | 77% | 0.766 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -62.7 | -31 | -177.1 | -64.8 | -163.9 | 172 | 0 | 0 | 112.4 | D266 Y270 | D266-E268 PolarHBondContact O-N 2.89Å; D266-E268 PolarHBondContact OD1-N 3.37Å; E268-Y270 VanDerWaalsContact C-N 3.25Å; E268-Y270 PolarHBondContact O-N 2.69Å |
| 269 | L | 91.4 | Very high | 90.2 | Very high | 105 Ų | 105 | 84.9 Ų | 84.9 | 55% | 0.55 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -65.5 | -28 | 176.5 | -60.6 | 179.6 | 0 | 0 | 0 | 113.1 | D266 M267 I370 | D266-L269 HydrophobicContact CB-CD1 3.88Å; D266-L269 HydrophobicContact CB-CG 4.1Å; D266-L269 PolarHBondContact O-N 3.13Å; D266-L269 WeakPolarHBondContact OD2-CG 3.43Å; M267-L269 PolarHBondContact O-N 2.85Å; L269-I370 HydrophobicContact CD1-CD1 4.34Å |
| 270 | Y | 95.4 | Very high | 90 | Very high | 29 Ų | 29 | 85.9 Ų | 85.9 | 11% | 0.114 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -14.6 | -171.3 | -59 | -71 | 0 | 0 | 0 | 114 | I265 D266 M267 E268 R345 Y346 T348 I370 Y374 | I265-Y270 HydrophobicContact CG2-CD2 3.62Å; I265-Y270 HydrophobicContact CG2-CE2 3.85Å; D266-Y270 VanDerWaalsContact O-CD2 3.23Å; D266-Y270 WeakPolarHBondContact O-CD2 3.27Å; M267-Y270 PolarHBondContact O-N 3.23Å; E268-Y270 VanDerWaalsContact C-N 3.25Å; E268-Y270 PolarHBondContact O-N 2.69Å; Y270-R345 CarbonylContact O-C 3.54Å; Y270-R345 VanDerWaalsContact O-CA 3.26Å; Y270-R345 WeakPolarHBondContact O-CA 3.29Å; Y270-R345 WeakPolarHBondContact O-CB 3.39Å; Y270-Y346 WeakPolarHBondContact O-CD2 3.02Å; Y270-Y346 PolarHBondContact O-N 3.29Å; Y270-T348 HydrophobicContact CD1-CG2 4.45Å; Y270-T348 HydrophobicContact CD2-CG2 4.07Å; Y270-T348 HydrophobicContact CE1-CG2 4.3Å; Y270-T348 HydrophobicContact CE2-CG2 3.88Å; Y270-T348 HydrophobicContact CG-CG2 4.35Å; Y270-I370 HydrophobicContact CE1-CD1 4.29Å; Y270-I370 HydrophobicContact CE1-CG2 4.26Å; Y270-Y374 WeakPolarHBondContact CD1-OH 3.18Å; Y270-Y374 WeakPolarHBondContact CE1-OH 3.07Å |
| 271 | L | 95.6 | Very high | 89.8 | Confident | 54 Ų | 54 | 83.7 Ų | 83.7 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -60.4 | 140.3 | 177.9 | -74.7 | 174.2 | 0 | 0 | 0 | 112.9 | M267 K273 N343 R345 | M267-L271 WeakPolarHBondContact O-CG 3.38Å; M267-L271 PolarHBondContact O-N 2.92Å; M267-L271 VanDerWaalsContact O-N 3.12Å; L271-K273 PolarHBondContact O-N 2.66Å; L271-N343 WeakPolarHBondContact CD2-OD1 3.48Å; L271-R345 HydrophobicContact CD2-CB 4.25Å |
| 272 | L | 95.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 82.8 Ų | 82.8 | 4% | 0.037 | 40% | 0.4 | C | S | . | . | trans | -71.5 | 113.2 | 175.3 | -91.3 | 69.9 | 0 | 0 | 0 | 109.9 | L277 L284 V311 L344 R345 Y346 | L272-L277 HydrophobicContact CB-CD2 3.66Å; L272-L277 HydrophobicContact CB-CG 4.02Å; L272-L277 HydrophobicContact CD2-CD2 3.86Å; L272-L277 HydrophobicContact CG-CD2 4.44Å; L272-L277 WeakPolarHBondContact O-CD1 3.4Å; L272-L284 HydrophobicContact CD2-CD1 3.7Å; L272-L284 HydrophobicContact CD2-CD2 3.81Å; L272-L284 HydrophobicContact CD2-CG 4.46Å; L272-V311 HydrophobicContact CD1-CB 4.13Å; L272-V311 HydrophobicContact CD1-CG1 3.89Å; L272-V311 HydrophobicContact CD2-CB 4.47Å; L272-V311 HydrophobicContact CD2-CG1 4.14Å; L272-V311 HydrophobicContact CD2-CG2 4.17Å; L272-L344 HydrophobicContact CB-CB 4.41Å; L272-L344 HydrophobicContact CD1-CB 4.41Å; L272-L344 HydrophobicContact CD2-CB 4.32Å; L272-L344 PolarHBondContact N-O 2.83Å; L272-R345 VanDerWaalsContact CD1-C 3.5Å; L272-Y346 HydrophobicContact CD1-CD1 4.23Å; L272-Y346 HydrophobicContact CD1-CD2 3.92Å; L272-Y346 HydrophobicContact CD1-CE1 4.19Å; L272-Y346 HydrophobicContact CD1-CE2 3.88Å; L272-Y346 HydrophobicContact CD1-CG 4.1Å; L272-Y346 HydrophobicContact CG-CE2 4.2Å | ||
| 273 | K | 94.7 | Very high | 90.2 | Very high | 151 Ų | 151 | 78 Ų | 78 | 66% | 0.657 | 38% | 0.379 | S | S | * | . | trans | -59.2 | 145.7 | -179.1 | -60.2 | -176.5 | -179.8 | -176.1 | 0 | 111.3 | L271 K275 T276 L277 | L271-K273 PolarHBondContact O-N 2.66Å; K273-K275 VanDerWaalsContact C-N 3.29Å; K273-K275 PolarHBondContact O-N 3.27Å; K273-K275 VanDerWaalsContact O-N 3.12Å; K273-T276 WeakPolarHBondContact O-CA 3.31Å; K273-T276 VanDerWaalsContact O-CB 3.23Å; K273-T276 WeakPolarHBondContact O-CB 3.45Å; K273-T276 PolarHBondContact O-N 3.36Å; K273-L277 PolarHBondContact O-N 3.13Å; K273-L277 VanDerWaalsContact O-N 3.11Å | ||
| 274 | P | 95 | Very high | 90.8 | Very high | 63 Ų | 63 | 70 Ų | 70 | 41% | 0.409 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -47.6 | -43.9 | -180 | -34.9 | 38.1 | 0 | 0 | 0 | 115.3 | T276 L277 L278 L336 | P274-T276 PolarHBondContact O-N 3.12Å; P274-L277 PolarHBondContact O-N 2.82Å; P274-L278 WeakPolarHBondContact O-CG 3.27Å; P274-L278 PolarHBondContact O-N 3.05Å; P274-L336 HydrophobicContact CB-CD1 3.7Å; P274-L336 HydrophobicContact CB-CD2 3.89Å; P274-L336 HydrophobicContact CB-CG 4.46Å; P274-L336 HydrophobicContact CG-CD1 4.35Å |
| 275 | K | 94.1 | Very high | 91.4 | Very high | 184 Ų | 184 | 65.4 Ų | 65.4 | 80% | 0.8 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.5 | -30.3 | 176.9 | -64.7 | -175.2 | 177.9 | -178.4 | 0 | 113.3 | K273 R279 | K273-K275 VanDerWaalsContact C-N 3.29Å; K273-K275 PolarHBondContact O-N 3.27Å; K273-K275 VanDerWaalsContact O-N 3.12Å; K275-R279 WeakPolarHBondContact O-CB 3.36Å; K275-R279 PolarHBondContact O-N 3.26Å |
| 276 | T | 93.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.4 | -43.3 | 176.2 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | K273 P274 R279 Y280 V305 | K273-T276 WeakPolarHBondContact O-CA 3.31Å; K273-T276 VanDerWaalsContact O-CB 3.23Å; K273-T276 WeakPolarHBondContact O-CB 3.45Å; K273-T276 PolarHBondContact O-N 3.36Å; P274-T276 PolarHBondContact O-N 3.12Å; T276-R279 PolarHBondContact O-N 3.44Å; T276-Y280 HydrophobicContact CG2-CD2 4.15Å; T276-Y280 WeakPolarHBondContact O-CB 3.47Å; T276-Y280 PolarHBondContact O-N 3.48Å; T276-V305 HydrophobicContact CG2-CG2 3.6Å |
| 277 | L | 93 | Very high | 92.3 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 177 | -65.8 | 173.5 | 0 | 0 | 0 | 111.4 | L272 K273 P274 R279 G281 L284 L336 M339 L340 L344 | L272-L277 HydrophobicContact CB-CD2 3.66Å; L272-L277 HydrophobicContact CB-CG 4.02Å; L272-L277 HydrophobicContact CD2-CD2 3.86Å; L272-L277 HydrophobicContact CG-CD2 4.44Å; L272-L277 WeakPolarHBondContact O-CD1 3.4Å; K273-L277 PolarHBondContact O-N 3.13Å; K273-L277 VanDerWaalsContact O-N 3.11Å; P274-L277 PolarHBondContact O-N 2.82Å; L277-R279 PolarHBondContact O-N 2.82Å; L277-G281 WeakPolarHBondContact O-CA 3.2Å; L277-G281 PolarHBondContact O-N 3.28Å; L277-L284 HydrophobicContact CD2-CD1 4.5Å; L277-L336 HydrophobicContact CB-CD1 4.36Å; L277-L336 HydrophobicContact CD1-CD1 4.19Å; L277-M339 HydrophobicContact CB-CE 3.84Å; L277-M339 HydrophobicContact CB-SD 4.17Å; L277-M339 HydrophobicContact CD2-CE 3.68Å; L277-M339 HydrophobicContact CG-CE 4.34Å; L277-L340 HydrophobicContact CD1-CD2 3.8Å; L277-L340 HydrophobicContact CD1-CG 4.39Å; L277-L344 HydrophobicContact CD2-CB 4.48Å; L277-L344 HydrophobicContact CD2-CD1 3.97Å |
| 278 | L | 91.8 | Very high | 92.8 | Very high | 63 Ų | 63 | 61 Ų | 61 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 177.2 | -72.5 | 174.9 | 0 | 0 | 0 | 112.6 | P274 E332 K335 L336 | P274-L278 WeakPolarHBondContact O-CG 3.27Å; P274-L278 PolarHBondContact O-N 3.05Å; L278-E332 HydrophobicContact CD2-CB 4.17Å; L278-E332 VanDerWaalsContact CD2-O 3.27Å; L278-E332 WeakPolarHBondContact CD2-O 3.21Å; L278-K335 HydrophobicContact CD2-CB 4.48Å; L278-L336 HydrophobicContact CD2-CB 3.9Å; L278-L336 HydrophobicContact CG-CB 4.36Å |
| 279 | R | 90.9 | Very high | 93.1 | Very high | 184 Ų | 184 | 54.7 Ų | 54.7 | 69% | 0.694 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -76.8 | -33.1 | -173.7 | -174 | 172 | 179.5 | -172.4 | 0.5 | 114.2 | K275 T276 L277 | K275-R279 WeakPolarHBondContact O-CB 3.36Å; K275-R279 PolarHBondContact O-N 3.26Å; T276-R279 PolarHBondContact O-N 3.44Å; L277-R279 PolarHBondContact O-N 2.82Å |
| 280 | Y | 91.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 54 Ų | 54 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -128.4 | 0.9 | -168.2 | -58.2 | -71.9 | 0 | 0 | 0 | 114.3 | T276 S282 I283 L284 V305 | T276-Y280 HydrophobicContact CG2-CD2 4.15Å; T276-Y280 WeakPolarHBondContact O-CB 3.47Å; T276-Y280 PolarHBondContact O-N 3.48Å; Y280-S282 VanDerWaalsContact C-N 3.27Å; Y280-S282 PolarHBondContact O-N 2.86Å; Y280-I283 HydrophobicContact CD1-CD1 3.89Å; Y280-I283 WeakPolarHBondContact O-CG1 3.14Å; Y280-I283 PolarHBondContact O-N 3.2Å; Y280-L284 PolarHBondContact O-N 2.99Å; Y280-V305 HydrophobicContact CD1-CB 4.29Å; Y280-V305 HydrophobicContact CD2-CB 4.05Å; Y280-V305 HydrophobicContact CD2-CG2 3.58Å; Y280-V305 HydrophobicContact CE2-CG2 4Å; Y280-V305 HydrophobicContact CG-CB 3.89Å; Y280-V305 HydrophobicContact CG-CG1 4.14Å; Y280-V305 HydrophobicContact CG-CG2 3.94Å |
| 281 | G | 88.7 | Confident | 93.5 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -42.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L277 I283 F324 | L277-G281 WeakPolarHBondContact O-CA 3.2Å; L277-G281 PolarHBondContact O-N 3.28Å; G281-I283 PolarHBondContact O-N 2.82Å; G281-F324 VanDerWaalsContact O-CE1 3.31Å; G281-F324 WeakPolarHBondContact O-CE1 3.39Å |
| 282 | S | 86.3 | Confident | 93.6 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 39% | 0.385 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 3.3 | -179.4 | 57.6 | 0 | 0 | 0 | 0 | 115.2 | K233 R234 Y280 | K233-S282 VanDerWaalsContact CG-C 3.45Å; K233-S282 WeakPolarHBondContact CG-O 2.9Å; R234-S282 PolarHBondContact N-O 2.8Å; Y280-S282 VanDerWaalsContact C-N 3.27Å; Y280-S282 PolarHBondContact O-N 2.86Å |
| 283 | I | 88.4 | Confident | 93.7 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 24% | 0.236 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -29.9 | 172.2 | 61.6 | 164.8 | 0 | 0 | 0 | 113.9 | K233 Y280 G281 E306 | K233-I283 VanDerWaalsContact CE-O 3.27Å; K233-I283 WeakPolarHBondContact CE-O 3.41Å; Y280-I283 HydrophobicContact CD1-CD1 3.89Å; Y280-I283 WeakPolarHBondContact O-CG1 3.14Å; Y280-I283 PolarHBondContact O-N 3.2Å; G281-I283 PolarHBondContact O-N 2.82Å; I283-E306 HydrophobicContact CD1-CB 3.59Å; I283-E306 HydrophobicContact CD1-CG 3.77Å |
| 284 | L | 91.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | trans | 65.4 | -140.6 | 172.7 | -55.4 | 164.3 | 0 | 0 | 0 | 114 | L272 L277 Y280 I286 V305 V311 M339 L344 | L272-L284 HydrophobicContact CD2-CD1 3.7Å; L272-L284 HydrophobicContact CD2-CD2 3.81Å; L272-L284 HydrophobicContact CD2-CG 4.46Å; L277-L284 HydrophobicContact CD2-CD1 4.5Å; Y280-L284 PolarHBondContact O-N 2.99Å; L284-I286 HydrophobicContact CB-CD1 4.22Å; L284-I286 HydrophobicContact CB-CG1 3.66Å; L284-I286 HydrophobicContact CD1-CD1 4.49Å; L284-I286 HydrophobicContact CD1-CG1 4.45Å; L284-V305 HydrophobicContact CD2-CG1 3.47Å; L284-V305 VanDerWaalsContact CD2-CG1 3.47Å; L284-V305 HydrophobicContact CG-CG1 4.5Å; L284-V311 HydrophobicContact CB-CG2 4.28Å; L284-V311 HydrophobicContact CD1-CG2 4.13Å; L284-V311 HydrophobicContact CD2-CG1 4.06Å; L284-V311 HydrophobicContact CD2-CG2 3.94Å; L284-V311 HydrophobicContact CG-CG2 4.34Å; L284-M339 HydrophobicContact CD1-CE 4.47Å; L284-L344 HydrophobicContact CD1-CD1 3.79Å | ||
| 285 | D | 94 | Very high | 93.9 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | cis | -89.6 | 156 | 10 | -177.4 | 48.6 | 0 | 0 | 0 | 113.7 | K233 K243 R293 V295 S310 V311 | K233-D285 IonicContact NZ-OD1 3.61Å; K233-D285 PolarHBondContact NZ-OD1 2.65Å; K243-D285 IonicContact NZ-OD1 2.66Å; K243-D285 PolarHBondContact NZ-OD1 2.81Å; D285-R293 IonicContact OD2-CZ 3.49Å; D285-R293 IonicContact OD2-NH2 2.7Å; D285-R293 PolarHBondContact OD2-NH2 3.15Å; D285-V295 HydrophobicContact CB-CG1 4.42Å; D285-S310 CarbonylContact O-C 3.57Å; D285-S310 PolarHBondContact OD2-OG 2.66Å; D285-V311 VanDerWaalsContact O-CG2 3.28Å; D285-V311 WeakPolarHBondContact O-CG2 3.33Å; D285-V311 PolarHBondContact O-N 3Å | ||
| 286 | I | 95.3 | Very high | 94 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.072 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133 | -176.5 | -54.4 | 174.3 | 0 | 0 | 0 | 110.1 | L284 V311 Q313 I320 F324 L344 | L284-I286 HydrophobicContact CB-CD1 4.22Å; L284-I286 HydrophobicContact CB-CG1 3.66Å; L284-I286 HydrophobicContact CD1-CD1 4.49Å; L284-I286 HydrophobicContact CD1-CG1 4.45Å; I286-V311 WeakPolarHBondContact CA-O 3.43Å; I286-V311 HydrophobicContact CG1-CG2 4.05Å; I286-Q313 HydrophobicContact CG2-CB 4.22Å; I286-I320 HydrophobicContact CB-CD1 4.4Å; I286-I320 HydrophobicContact CD1-CG2 4.19Å; I286-I320 HydrophobicContact CG2-CD1 3.78Å; I286-I320 HydrophobicContact CG2-CG1 4.49Å; I286-F324 HydrophobicContact CD1-CE2 3.61Å; I286-F324 HydrophobicContact CD1-CZ 3.59Å; I286-L344 HydrophobicContact CD1-CD1 3.77Å; I286-L344 HydrophobicContact CD1-CD2 4.36Å; I286-L344 HydrophobicContact CG1-CD1 4.24Å; I286-L344 HydrophobicContact CG2-CD2 3.89Å |
| 287 | V | 96.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 159 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 111 | I255 R293 V311 L312 Q313 F347 | I255-V287 HydrophobicContact CD1-CB 3.81Å; I255-V287 HydrophobicContact CD1-CG1 4.31Å; I255-V287 HydrophobicContact CD1-CG2 3.65Å; V287-R293 WeakPolarHBondContact CG1-O 3.1Å; V287-V311 WeakPolarHBondContact CG2-O 3.33Å; V287-V311 PolarHBondContact N-O 3.49Å; V287-L312 HydrophobicContact CG2-CD1 4.34Å; V287-Q313 PolarHBondContact O-N 3.1Å; V287-F347 HydrophobicContact CG2-CE2 3.71Å; V287-F347 HydrophobicContact CG2-CZ 3.61Å |
| 288 | Q | 96.6 | Very high | 94.3 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | trans | -116.5 | 159.4 | 179.9 | -68.9 | 167.5 | -46.3 | 0 | 0 | 109.9 | H290 S291 Q313 M316 I320 | Q288-H290 VanDerWaalsContact C-N 3.26Å; Q288-H290 PolarHBondContact O-N 3.49Å; Q288-H290 PolarHBondContact OE1-CE1 2.86Å; Q288-H290 PolarHBondContact OE1-NE2 3.29Å; Q288-S291 PolarHBondContact N-OG 3.23Å; Q288-S291 WeakPolarHBondContact O-CB 3.3Å; Q288-S291 PolarHBondContact O-N 3.04Å; Q288-S291 PolarHBondContact O-OG 3.06Å; Q288-S291 VanDerWaalsContact O-OG 3.08Å; Q288-Q313 HydrophobicContact CG-CB 4.25Å; Q288-Q313 VanDerWaalsContact CG-OE1 3.25Å; Q288-M316 HydrophobicContact CB-SD 4.34Å; Q288-M316 HydrophobicContact CG-CE 4.32Å; Q288-M316 HydrophobicContact CG-SD 4.21Å; Q288-I320 HydrophobicContact CG-CD1 4.14Å | ||
| 289 | P | 96.7 | Very high | 94.5 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 20% | 0.201 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -39.6 | -179.7 | -27.1 | 35 | 0 | 0 | 0 | 113.8 | I255 Q256 L259 S291 L312 M316 | I255-P289 PolarHBondContact N-O 2.96Å; Q256-P289 HydrophobicContact CB-CB 3.82Å; Q256-P289 WeakPolarHBondContact CB-O 3.42Å; Q256-P289 PolarHBondContact N-O 3.21Å; L259-P289 HydrophobicContact CD1-CB 4.17Å; L259-P289 HydrophobicContact CD1-CG 4.28Å; P289-S291 VanDerWaalsContact C-N 3.26Å; P289-S291 PolarHBondContact O-N 2.85Å; P289-L312 HydrophobicContact CG-CD1 4.38Å; P289-M316 VanDerWaalsContact CD-CE 3.5Å; P289-M316 HydrophobicContact CG-CE 4.21Å |
| 290 | H | 96.3 | Very high | 94.6 | Very high | 91 Ų | 91 | 32.1 Ų | 32.1 | 42% | 0.421 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.7 | 177.8 | 63 | 73.2 | 0 | 0 | 0 | 114.6 | Q254 Q288 | Q254-H290 PolarHBondContact NE2-O 3.45Å; Q288-H290 VanDerWaalsContact C-N 3.26Å; Q288-H290 PolarHBondContact O-N 3.49Å; Q288-H290 PolarHBondContact OE1-CE1 2.86Å; Q288-H290 PolarHBondContact OE1-NE2 3.29Å |
| 291 | S | 97.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | trans | -69.4 | 146.8 | 176.4 | -60.9 | 0 | 0 | 0 | 0 | 110.6 | N247 Q254 I255 Q288 P289 | N247-S291 WeakPolarHBondContact OD1-CA 3.39Å; N247-S291 WeakPolarHBondContact OD1-CB 3.46Å; Q254-S291 WeakPolarHBondContact CA-O 3.38Å; I255-S291 WeakPolarHBondContact CG1-O 3.31Å; I255-S291 PolarHBondContact N-O 3.1Å; Q288-S291 PolarHBondContact N-OG 3.23Å; Q288-S291 WeakPolarHBondContact O-CB 3.3Å; Q288-S291 PolarHBondContact O-N 3.04Å; Q288-S291 PolarHBondContact O-OG 3.06Å; Q288-S291 VanDerWaalsContact O-OG 3.08Å; P289-S291 VanDerWaalsContact C-N 3.26Å; P289-S291 PolarHBondContact O-N 2.85Å | ||
| 292 | R | 97.7 | Very high | 95 | Very high | 49 Ų | 49 | 30.4 Ų | 30.4 | 19% | 0.185 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -107.2 | 24.7 | 177.6 | -59.3 | 178.1 | 178.1 | -109.5 | -1.4 | 111.6 | P157 N247 D249 L250 V252 Q254 | P157-R292 VanDerWaalsContact CB-C 3.46Å; N247-R292 PolarHBondContact OD1-N 3.04Å; D249-R292 WeakPolarHBondContact O-CD 3.33Å; L250-R292 PolarHBondContact O-NH1 3.49Å; V252-R292 HydrophobicContact CB-CB 4.28Å; V252-R292 HydrophobicContact CG1-CB 4.23Å; V252-R292 VanDerWaalsContact CG1-O 3.27Å; V252-R292 WeakPolarHBondContact CG1-O 3.2Å; V252-R292 VanDerWaalsContact O-CD 3.25Å; V252-R292 WeakPolarHBondContact O-CD 3.47Å; V252-R292 PolarHBondContact O-NH1 3.25Å; Q254-R292 HydrophobicContact CG-CG 3.91Å |
| 293 | R | 96.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 36 Ų | 36 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | trans | -158.3 | 137.9 | -176.1 | 55.7 | 124.2 | -63.1 | 105.5 | -4.4 | 113.9 | P157 Q246 N247 D285 V287 V295 | P157-R293 CarbonylContact O-C 3.51Å; Q246-R293 HydrophobicContact CB-CB 3.92Å; Q246-R293 HydrophobicContact CB-CG 3.9Å; N247-R293 WeakPolarHBondContact OD1-CG 3.4Å; D285-R293 IonicContact OD2-CZ 3.49Å; D285-R293 IonicContact OD2-NH2 2.7Å; D285-R293 PolarHBondContact OD2-NH2 3.15Å; V287-R293 WeakPolarHBondContact CG1-O 3.1Å; R293-V295 VanDerWaalsContact NH2-CG1 3.33Å | ||
| 294 | S | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -136.2 | 158.9 | 164.2 | 61.3 | 0 | 0 | 0 | 0 | 109.9 | P157 N158 S159 | P157-S294 PolarHBondContact O-N 2.66Å; P157-S294 PolarHBondContact O-OG 3.11Å; N158-S294 PolarHBondContact ND2-OG 2.67Å; S159-S294 WeakPolarHBondContact CB-O 3.46Å; S159-S294 PolarHBondContact N-O 2.81Å; S159-S294 PolarHBondContact OG-O 3.12Å |
| 295 | V | 96.5 | Very high | 95.2 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -79.8 | 166.4 | 173.2 | -52 | 0 | 0 | 0 | 0 | 111.8 | N158 D285 R293 F297 S310 | N158-V295 PolarHBondContact ND2-O 3.18Å; D285-V295 HydrophobicContact CB-CG1 4.42Å; R293-V295 VanDerWaalsContact NH2-CG1 3.33Å; V295-F297 PolarHBondContact O-N 3.41Å; V295-S310 PolarHBondContact N-OG 3.36Å |
| 296 | C | 96.8 | Very high | 94.9 | Very high | 35 Ų | 35 | 46.8 Ų | 46.8 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 125.7 | 179.4 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | S159 R160 T308 | S159-C296 WeakPolarHBondContact O-CA 3.28Å; S159-C296 WeakPolarHBondContact O-CB 3.42Å; S159-C296 PolarHBondContact O-N 3.35Å; S159-C296 VanDerWaalsContact O-N 3.12Å; R160-C296 PolarHBondContact NH1-SG 3.42Å; R160-C296 VanDerWaalsContact NH1-SG 3.45Å; C296-T308 CarbonylContact O-C 3.43Å |
| 297 | F | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 120.7 | 168 | -62.5 | -72.8 | 0 | 0 | 0 | 110.3 | N158 R160 V295 Y301 T308 F347 V352 L355 M356 | N158-F297 WeakPolarHBondContact ND2-CD2 3.26Å; N158-F297 VanDerWaalsContact ND2-CE2 3.33Å; N158-F297 WeakPolarHBondContact ND2-CE2 3.39Å; R160-F297 PolarHBondContact NH1-O 2.99Å; V295-F297 PolarHBondContact O-N 3.41Å; F297-Y301 HydrophobicContact CD1-CD1 4.08Å; F297-Y301 AromaticContact CD1-CD2 3.96Å; F297-Y301 HydrophobicContact CD1-CD2 3.96Å; F297-Y301 HydrophobicContact CD1-CE1 4.06Å; F297-Y301 AromaticContact CD1-CE2 3.93Å; F297-Y301 HydrophobicContact CD1-CE2 3.93Å; F297-Y301 HydrophobicContact CD1-CG 4.02Å; F297-Y301 AromaticContact CD1-CZ 3.97Å; F297-Y301 HydrophobicContact CE1-CD2 4.39Å; F297-Y301 HydrophobicContact CE1-CE1 4.02Å; F297-Y301 AromaticContact CE1-CE2 3.89Å; F297-Y301 HydrophobicContact CE1-CE2 3.89Å; F297-Y301 AromaticContact CE1-CZ 3.67Å; F297-T308 CarbonylContact C-O 3.56Å; F297-T308 WeakPolarHBondContact CA-O 3.35Å; F297-F347 HydrophobicContact CE1-CB 4.37Å; F297-F347 AromaticContact CE1-CD2 3.87Å; F297-F347 HydrophobicContact CE1-CD2 3.87Å; F297-F347 HydrophobicContact CE1-CG 4.34Å; F297-F347 HydrophobicContact CZ-CB 4.32Å; F297-F347 AromaticContact CZ-CD2 3.67Å; F297-F347 HydrophobicContact CZ-CD2 3.67Å; F297-F347 HydrophobicContact CZ-CE2 4.16Å; F297-F347 AromaticContact CZ-CG 3.98Å; F297-F347 HydrophobicContact CZ-CG 3.98Å; F297-V352 HydrophobicContact CB-CG1 4.09Å; F297-V352 HydrophobicContact CD1-CG2 4.05Å; F297-V352 HydrophobicContact CD2-CG1 4.01Å; F297-V352 HydrophobicContact CD2-CG2 4.31Å; F297-V352 HydrophobicContact CE1-CG2 4.05Å; F297-V352 HydrophobicContact CE2-CG2 4.31Å; F297-V352 HydrophobicContact CG-CG1 3.99Å; F297-V352 HydrophobicContact CG-CG2 4.19Å; F297-V352 HydrophobicContact CZ-CG2 4.18Å; F297-L355 HydrophobicContact CE2-CB 4.5Å; F297-L355 HydrophobicContact CE2-CD1 3.75Å; F297-L355 HydrophobicContact CZ-CD1 4.15Å; F297-M356 HydrophobicContact CB-CE 3.94Å |
| 298 | T | 95.4 | Very high | 94.3 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | trans | -104.2 | 165.2 | 178.5 | 81.4 | 0 | 0 | 0 | 0 | 111.1 | G300 Y301 G307 T308 | T298-G300 PolarHBondContact O-N 2.84Å; T298-G300 PolarHBondContact OG1-N 3.34Å; T298-Y301 WeakPolarHBondContact O-CB 3.46Å; T298-Y301 PolarHBondContact O-N 2.64Å; T298-G307 WeakPolarHBondContact CG2-O 3.39Å; T298-T308 PolarHBondContact N-O 2.84Å | ||
| 299 | K | 94.3 | Very high | 94.3 | Very high | 110 Ų | 110 | 47.9 Ų | 47.9 | 48% | 0.478 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -8.3 | 176.1 | 72.9 | -172.9 | 179.9 | -171 | 0 | 115.2 | R375 N379 | K299-R375 HydrophobicContact CB-CG 4.27Å; K299-N379 WeakPolarHBondContact CB-OD1 3.4Å; K299-N379 VanDerWaalsContact CD-OD1 3.31Å; K299-N379 WeakPolarHBondContact CD-OD1 3.06Å |
| 300 | G | 94.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -5.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T298 R303 Y304 | T298-G300 PolarHBondContact O-N 2.84Å; T298-G300 PolarHBondContact OG1-N 3.34Å; G300-R303 PolarHBondContact O-N 2.91Å; G300-Y304 PolarHBondContact O-N 2.86Å |
| 301 | Y | 96.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 143.1 | -177.3 | -167.5 | -111.1 | 0 | 0 | 0 | 112.2 | F297 T298 R303 T308 S310 Y346 F347 V352 Y374 | F297-Y301 HydrophobicContact CD1-CD1 4.08Å; F297-Y301 AromaticContact CD1-CD2 3.96Å; F297-Y301 HydrophobicContact CD1-CD2 3.96Å; F297-Y301 HydrophobicContact CD1-CE1 4.06Å; F297-Y301 AromaticContact CD1-CE2 3.93Å; F297-Y301 HydrophobicContact CD1-CE2 3.93Å; F297-Y301 HydrophobicContact CD1-CG 4.02Å; F297-Y301 AromaticContact CD1-CZ 3.97Å; F297-Y301 HydrophobicContact CE1-CD2 4.39Å; F297-Y301 HydrophobicContact CE1-CE1 4.02Å; F297-Y301 AromaticContact CE1-CE2 3.89Å; F297-Y301 HydrophobicContact CE1-CE2 3.89Å; F297-Y301 AromaticContact CE1-CZ 3.67Å; T298-Y301 WeakPolarHBondContact O-CB 3.46Å; T298-Y301 PolarHBondContact O-N 2.64Å; Y301-R303 PolarHBondContact O-N 3.12Å; Y301-R303 VanDerWaalsContact O-N 3.12Å; Y301-T308 WeakPolarHBondContact CD2-O 3.25Å; Y301-S310 WeakPolarHBondContact CE2-O 3.29Å; Y301-S310 PolarHBondContact OH-O 2.98Å; Y301-Y346 HydrophobicContact CE1-CD1 4.13Å; Y301-Y346 HydrophobicContact CE1-CG 4.49Å; Y301-Y346 AromaticContact CE2-CD1 3.87Å; Y301-Y346 HydrophobicContact CE2-CD1 3.87Å; Y301-Y346 HydrophobicContact CE2-CE1 4.48Å; Y301-Y346 AromaticContact CZ-CD1 3.64Å; Y301-Y346 WeakPolarHBondContact OH-CA 3.32Å; Y301-F347 HydrophobicContact CE1-CB 4.37Å; Y301-F347 PolarHBondContact OH-N 2.66Å; Y301-V352 HydrophobicContact CE1-CG2 4.33Å; Y301-Y374 AromaticContact CD1-CD1 3.72Å; Y301-Y374 HydrophobicContact CD1-CD1 3.72Å; Y301-Y374 HydrophobicContact CD1-CD2 4.45Å; Y301-Y374 AromaticContact CD1-CE1 3.74Å; Y301-Y374 HydrophobicContact CD1-CE1 3.74Å; Y301-Y374 HydrophobicContact CD1-CE2 4.47Å; Y301-Y374 HydrophobicContact CD1-CG 4.11Å; Y301-Y374 HydrophobicContact CE1-CD1 4.4Å; Y301-Y374 AromaticContact CE1-CE1 3.97Å; Y301-Y374 HydrophobicContact CE1-CE1 3.97Å; Y301-Y374 WeakPolarHBondContact O-CD2 3.44Å |
| 302 | G | 91.3 | Very high | 94.5 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 22% | 0.216 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | -11 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 303 | R | 90.9 | Very high | 94.4 | Very high | 174 Ų | 174 | 39.8 Ų | 39.8 | 66% | 0.657 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -45.4 | 176.7 | 178.7 | 176.7 | 175 | 152.1 | 2.5 | 113.1 | G300 Y301 | G300-R303 PolarHBondContact O-N 2.91Å; Y301-R303 PolarHBondContact O-N 3.12Å; Y301-R303 VanDerWaalsContact O-N 3.12Å |
| 304 | Y | 90.8 | Very high | 94.1 | Very high | 140 Ų | 140 | 40.7 Ų | 40.7 | 55% | 0.549 | 22% | 0.217 | S | C | . | . | trans | -111 | 160.6 | 170.9 | -54 | -84.7 | 0 | 0 | 0 | 108.2 | G300 T308 | G300-Y304 PolarHBondContact O-N 2.86Å; Y304-T308 WeakPolarHBondContact O-CG2 3.31Å; Y304-T308 PolarHBondContact O-OG1 2.84Å | ||
| 305 | V | 88.1 | Confident | 93.7 | Very high | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | trans | -104 | -65.9 | -177.3 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | T276 Y280 L284 G307 T308 | T276-V305 HydrophobicContact CG2-CG2 3.6Å; Y280-V305 HydrophobicContact CD1-CB 4.29Å; Y280-V305 HydrophobicContact CD2-CB 4.05Å; Y280-V305 HydrophobicContact CD2-CG2 3.58Å; Y280-V305 HydrophobicContact CE2-CG2 4Å; Y280-V305 HydrophobicContact CG-CB 3.89Å; Y280-V305 HydrophobicContact CG-CG1 4.14Å; Y280-V305 HydrophobicContact CG-CG2 3.94Å; L284-V305 HydrophobicContact CD2-CG1 3.47Å; L284-V305 VanDerWaalsContact CD2-CG1 3.47Å; L284-V305 HydrophobicContact CG-CG1 4.5Å; V305-G307 PolarHBondContact O-N 2.81Å; V305-T308 PolarHBondContact O-N 2.96Å; V305-T308 PolarHBondContact O-OG1 3.2Å | ||
| 306 | E | 88 | Confident | 93.3 | Very high | 142 Ų | 142 | 44.1 Ų | 44.1 | 66% | 0.664 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 125 | -176.3 | -170.4 | 163.4 | -157 | 0 | 0 | 112.8 | I283 T308 | I283-E306 HydrophobicContact CD1-CB 3.59Å; I283-E306 HydrophobicContact CD1-CG 3.77Å; E306-T308 PolarHBondContact O-N 3.26Å |
| 307 | G | 86.1 | Confident | 92.9 | Very high | 68 Ų | 68 | 51 Ų | 51 | 70% | 0.701 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 15.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116 | T298 V305 | T298-G307 WeakPolarHBondContact CG2-O 3.39Å; V305-G307 PolarHBondContact O-N 2.81Å |
| 308 | T | 93.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -101.7 | -20.7 | -175.3 | 65.3 | 0 | 0 | 0 | 0 | 116.6 | C296 F297 T298 Y301 Y304 V305 E306 | C296-T308 CarbonylContact O-C 3.43Å; F297-T308 CarbonylContact C-O 3.56Å; F297-T308 WeakPolarHBondContact CA-O 3.35Å; T298-T308 PolarHBondContact N-O 2.84Å; Y301-T308 WeakPolarHBondContact CD2-O 3.25Å; Y304-T308 WeakPolarHBondContact O-CG2 3.31Å; Y304-T308 PolarHBondContact O-OG1 2.84Å; V305-T308 PolarHBondContact O-N 2.96Å; V305-T308 PolarHBondContact O-OG1 3.2Å; E306-T308 PolarHBondContact O-N 3.26Å |
| 309 | G | 96.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | trans | 160.6 | 167.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 310 | S | 97.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -82.5 | 161.3 | 170.7 | -64.4 | 0 | 0 | 0 | 0 | 110.2 | D285 V295 Y301 F347 | D285-S310 CarbonylContact O-C 3.57Å; D285-S310 PolarHBondContact OD2-OG 2.66Å; V295-S310 PolarHBondContact N-OG 3.36Å; Y301-S310 WeakPolarHBondContact CE2-O 3.29Å; Y301-S310 PolarHBondContact OH-O 2.98Å; S310-F347 WeakPolarHBondContact O-CD2 3.3Å | ||
| 311 | V | 97.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.3 | 168.6 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | L272 L284 D285 I286 V287 L344 R345 Y346 | L272-V311 HydrophobicContact CD1-CB 4.13Å; L272-V311 HydrophobicContact CD1-CG1 3.89Å; L272-V311 HydrophobicContact CD2-CB 4.47Å; L272-V311 HydrophobicContact CD2-CG1 4.14Å; L272-V311 HydrophobicContact CD2-CG2 4.17Å; L284-V311 HydrophobicContact CB-CG2 4.28Å; L284-V311 HydrophobicContact CD1-CG2 4.13Å; L284-V311 HydrophobicContact CD2-CG1 4.06Å; L284-V311 HydrophobicContact CD2-CG2 3.94Å; L284-V311 HydrophobicContact CG-CG2 4.34Å; D285-V311 VanDerWaalsContact O-CG2 3.28Å; D285-V311 WeakPolarHBondContact O-CG2 3.33Å; D285-V311 PolarHBondContact O-N 3Å; I286-V311 WeakPolarHBondContact CA-O 3.43Å; I286-V311 HydrophobicContact CG1-CG2 4.05Å; V287-V311 WeakPolarHBondContact CG2-O 3.33Å; V287-V311 PolarHBondContact N-O 3.49Å; V311-L344 HydrophobicContact CG2-CB 4.48Å; V311-L344 HydrophobicContact CG2-CD1 4.31Å; V311-R345 CarbonylContact C-O 3.58Å; V311-R345 WeakPolarHBondContact CA-O 3.45Å; V311-R345 WeakPolarHBondContact CB-O 3.42Å; V311-Y346 HydrophobicContact CG1-CD1 3.88Å; V311-Y346 HydrophobicContact CG1-CE1 4.04Å |
| 312 | L | 97.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.8 | -175.3 | -173.1 | 71.2 | 0 | 0 | 0 | 110.7 | I255 L259 V287 P289 L344 R345 F347 | I255-L312 HydrophobicContact CG2-CD1 4.13Å; L259-L312 HydrophobicContact CD1-CD2 3.81Å; L259-L312 HydrophobicContact CD2-CD2 3.74Å; L259-L312 HydrophobicContact CG-CD2 4.46Å; V287-L312 HydrophobicContact CG2-CD1 4.34Å; P289-L312 HydrophobicContact CG-CD1 4.38Å; L312-L344 WeakPolarHBondContact O-CA 3.22Å; L312-R345 HydrophobicContact CB-CG 4.25Å; L312-R345 PolarHBondContact N-O 3.34Å; L312-R345 PolarHBondContact O-N 3.36Å; L312-F347 HydrophobicContact CB-CE1 4.47Å; L312-F347 HydrophobicContact CB-CE2 4.18Å; L312-F347 HydrophobicContact CB-CZ 4.07Å; L312-F347 HydrophobicContact CD1-CE1 4.35Å; L312-F347 HydrophobicContact CD1-CZ 4.03Å |
| 313 | Q | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130.9 | 164.4 | -179.6 | -175.6 | -3.2 | 0 | 0 | 109.9 | I286 V287 Q288 C315 M316 N318 L342 L344 | I286-Q313 HydrophobicContact CG2-CB 4.22Å; V287-Q313 PolarHBondContact O-N 3.1Å; Q288-Q313 HydrophobicContact CG-CB 4.25Å; Q288-Q313 VanDerWaalsContact CG-OE1 3.25Å; Q313-C315 PolarHBondContact NE2-O 3.2Å; Q313-M316 HydrophobicContact CB-CE 3.9Å; Q313-M316 HydrophobicContact CG-CE 3.65Å; Q313-M316 WeakPolarHBondContact O-CE 3.19Å; Q313-N318 PolarHBondContact NE2-O 2.81Å; Q313-L342 HydrophobicContact CG-CB 4.24Å; Q313-L342 HydrophobicContact CG-CD2 4.31Å; Q313-L342 WeakPolarHBondContact CG-O 3.36Å; Q313-L344 HydrophobicContact CB-CD2 4.01Å; Q313-L344 HydrophobicContact CG-CD2 4.45Å |
| 314 | C | 90.8 | Very high | 90.2 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | trans | -104.2 | -30.6 | 178.5 | -55.3 | 0 | 0 | 0 | 0 | 113.4 | M267 L342 N343 R345 | M267-C314 HydrophobicContact CE-CB 4.28Å; C314-L342 PolarHBondContact N-O 2.81Å; C314-N343 HydrophobicContact CB-CB 4.17Å; C314-N343 VanDerWaalsContact CB-O 3.29Å; C314-N343 WeakPolarHBondContact CB-O 3.2Å; C314-N343 PolarHBondContact N-O 2.82Å; C314-N343 PolarHBondContact SG-O 3.01Å; C314-R345 VanDerWaalsContact SG-CG 3.59Å | ||
| 315 | C | 89.7 | Confident | 89.8 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | trans | -95.3 | 107.7 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | Q313 K341 L342 N343 | Q313-C315 PolarHBondContact NE2-O 3.2Å; C315-K341 VanDerWaalsContact CB-O 3.27Å; C315-K341 WeakPolarHBondContact CB-O 3.43Å; C315-K341 PolarHBondContact SG-O 3.33Å; C315-L342 PolarHBondContact N-O 3.28Å; C315-N343 HydrophobicContact CB-CB 4.05Å | ||
| 316 | M | 89.5 | Confident | 89.5 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -9.1 | -178.4 | -63.4 | -60.6 | 118.5 | 0 | 0 | 114.4 | Q288 P289 Q313 N318 | Q288-M316 HydrophobicContact CB-SD 4.34Å; Q288-M316 HydrophobicContact CG-CE 4.32Å; Q288-M316 HydrophobicContact CG-SD 4.21Å; P289-M316 VanDerWaalsContact CD-CE 3.5Å; P289-M316 HydrophobicContact CG-CE 4.21Å; Q313-M316 HydrophobicContact CB-CE 3.9Å; Q313-M316 HydrophobicContact CG-CE 3.65Å; Q313-M316 WeakPolarHBondContact O-CE 3.19Å; M316-N318 PolarHBondContact O-N 3.1Å |
| 317 | E | 88.4 | Confident | 89.3 | Confident | 179 Ų | 179 | 43.9 Ų | 43.9 | 84% | 0.836 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.8 | 179.6 | -59.4 | 177.7 | 172.3 | 0 | 0 | 113.4 | ||
| 318 | N | 87.3 | Confident | 89 | Confident | 38 Ų | 38 | 48 Ų | 48 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -116.6 | 121.3 | -175.6 | -66.8 | -93.7 | 0 | 0 | 0 | 110 | Q313 M316 V323 K341 L342 | Q313-N318 PolarHBondContact NE2-O 2.81Å; M316-N318 PolarHBondContact O-N 3.1Å; N318-V323 HydrophobicContact CB-CG2 4.22Å; N318-K341 HydrophobicContact CB-CB 4.4Å; N318-L342 HydrophobicContact CB-CD2 4.14Å |
| 319 | E | 87.2 | Confident | 88.6 | Confident | 132 Ų | 132 | 55 Ų | 55 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | trans | -69.9 | 137.2 | 173.6 | -60.6 | -170.6 | 171.3 | 0 | 0 | 111.5 | S321 S322 V323 | E319-S321 VanDerWaalsContact C-N 3.26Å; E319-S321 VanDerWaalsContact CB-OG 3.26Å; E319-S321 WeakPolarHBondContact CB-OG 3.44Å; E319-S321 PolarHBondContact O-N 2.84Å; E319-S321 PolarHBondContact OE2-OG 3.28Å; E319-S322 PolarHBondContact O-N 3.1Å; E319-S322 VanDerWaalsContact O-N 3.17Å; E319-S322 PolarHBondContact O-OG 3Å; E319-V323 PolarHBondContact O-N 3.07Å | ||
| 320 | I | 86.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 178.2 | -50.7 | 173.8 | 0 | 0 | 0 | 110.8 | Y232 I286 Q288 V323 F324 L342 | Y232-I320 HydrophobicContact CE1-CG2 3.57Å; Y232-I320 WeakPolarHBondContact OH-CG2 3.41Å; I286-I320 HydrophobicContact CB-CD1 4.4Å; I286-I320 HydrophobicContact CD1-CG2 4.19Å; I286-I320 HydrophobicContact CG2-CD1 3.78Å; I286-I320 HydrophobicContact CG2-CG1 4.49Å; Q288-I320 HydrophobicContact CG-CD1 4.14Å; I320-V323 PolarHBondContact O-N 3.2Å; I320-F324 HydrophobicContact CG2-CD2 4.03Å; I320-F324 HydrophobicContact CG2-CE2 4.01Å; I320-F324 WeakPolarHBondContact O-CD2 3.45Å; I320-F324 PolarHBondContact O-N 2.8Å; I320-L342 HydrophobicContact CG1-CD2 4.47Å; I320-L342 HydrophobicContact CG2-CD1 4.48Å |
| 321 | S | 84.9 | Confident | 87.9 | Confident | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -48.5 | -60.3 | 172.2 | 46.1 | 0 | 0 | 0 | 0 | 111.5 | E319 V323 F324 T325 | E319-S321 VanDerWaalsContact C-N 3.26Å; E319-S321 VanDerWaalsContact CB-OG 3.26Å; E319-S321 WeakPolarHBondContact CB-OG 3.44Å; E319-S321 PolarHBondContact O-N 2.84Å; E319-S321 PolarHBondContact OE2-OG 3.28Å; S321-V323 VanDerWaalsContact C-N 3.33Å; S321-V323 PolarHBondContact O-N 3.43Å; S321-F324 PolarHBondContact O-N 3.12Å; S321-T325 PolarHBondContact O-N 2.55Å; S321-T325 PolarHBondContact O-OG1 2.83Å |
| 322 | S | 85.7 | Confident | 87.6 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 42% | 0.42 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | -173.5 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | E319 F324 K338 | E319-S322 PolarHBondContact O-N 3.1Å; E319-S322 VanDerWaalsContact O-N 3.17Å; E319-S322 PolarHBondContact O-OG 3Å; S322-F324 VanDerWaalsContact C-N 3.35Å; S322-F324 PolarHBondContact O-N 2.91Å; S322-K338 PolarHBondContact O-NZ 3.33Å |
| 323 | V | 86.1 | Confident | 87.4 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 178.9 | 162.6 | 0 | 0 | 0 | 0 | 111.1 | N318 E319 I320 S321 K338 M339 L342 | N318-V323 HydrophobicContact CB-CG2 4.22Å; E319-V323 PolarHBondContact O-N 3.07Å; I320-V323 PolarHBondContact O-N 3.2Å; S321-V323 VanDerWaalsContact C-N 3.33Å; S321-V323 PolarHBondContact O-N 3.43Å; V323-K338 HydrophobicContact CG1-CB 4.21Å; V323-K338 VanDerWaalsContact CG1-O 3.26Å; V323-K338 WeakPolarHBondContact CG1-O 3.21Å; V323-K338 WeakPolarHBondContact O-CE 3.4Å; V323-K338 PolarHBondContact O-NZ 3.3Å; V323-M339 HydrophobicContact CG1-CG 4.48Å; V323-L342 HydrophobicContact CB-CD1 4.11Å; V323-L342 HydrophobicContact CB-CD2 4.29Å; V323-L342 HydrophobicContact CB-CG 4.21Å; V323-L342 HydrophobicContact CG1-CD1 3.75Å; V323-L342 HydrophobicContact CG1-CG 4.02Å; V323-L342 HydrophobicContact CG2-CD1 4.37Å; V323-L342 HydrophobicContact CG2-CD2 3.78Å; V323-L342 HydrophobicContact CG2-CG 3.9Å |
| 324 | F | 85.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.039 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -101.6 | -9.1 | -171.9 | -71.2 | -104.2 | 0 | 0 | 0 | 115.3 | Y232 G281 I286 I320 S321 S322 N326 L327 M339 L342 | Y232-F324 HydrophobicContact CD2-CB 3.03Å; Y232-F324 HydrophobicContact CD2-CD1 4.2Å; Y232-F324 HydrophobicContact CD2-CD2 4.48Å; Y232-F324 AromaticContact CD2-CG 3.77Å; Y232-F324 HydrophobicContact CD2-CG 3.77Å; Y232-F324 HydrophobicContact CE1-CD2 4.49Å; Y232-F324 HydrophobicContact CE2-CB 2.93Å; Y232-F324 AromaticContact CE2-CD1 3.33Å; Y232-F324 HydrophobicContact CE2-CD1 3.33Å; Y232-F324 AromaticContact CE2-CD2 3.6Å; Y232-F324 HydrophobicContact CE2-CD2 3.6Å; Y232-F324 HydrophobicContact CE2-CE1 4.11Å; Y232-F324 HydrophobicContact CE2-CE2 4.28Å; Y232-F324 AromaticContact CE2-CG 3.06Å; Y232-F324 HydrophobicContact CE2-CG 3.06Å; Y232-F324 HydrophobicContact CG-CB 4.02Å; Y232-F324 AromaticContact CZ-CD2 3.55Å; Y232-F324 AromaticContact CZ-CE2 3.99Å; Y232-F324 AromaticContact CZ-CG 3.56Å; Y232-F324 VanDerWaalsContact OH-CD2 3.27Å; Y232-F324 WeakPolarHBondContact OH-CD2 3.47Å; Y232-F324 WeakPolarHBondContact OH-CE2 3.44Å; G281-F324 VanDerWaalsContact O-CE1 3.31Å; G281-F324 WeakPolarHBondContact O-CE1 3.39Å; I286-F324 HydrophobicContact CD1-CE2 3.61Å; I286-F324 HydrophobicContact CD1-CZ 3.59Å; I320-F324 HydrophobicContact CG2-CD2 4.03Å; I320-F324 HydrophobicContact CG2-CE2 4.01Å; I320-F324 WeakPolarHBondContact O-CD2 3.45Å; I320-F324 PolarHBondContact O-N 2.8Å; S321-F324 PolarHBondContact O-N 3.12Å; S322-F324 VanDerWaalsContact C-N 3.35Å; S322-F324 PolarHBondContact O-N 2.91Å; F324-N326 PolarHBondContact O-N 2.91Å; F324-L327 HydrophobicContact CB-CD1 3.65Å; F324-L327 HydrophobicContact CB-CG 4.36Å; F324-L327 HydrophobicContact CD1-CD1 3.19Å; F324-L327 HydrophobicContact CE1-CD1 4.14Å; F324-L327 HydrophobicContact CG-CD1 3.67Å; F324-L327 WeakPolarHBondContact O-CG 3.05Å; F324-L327 PolarHBondContact O-N 2.87Å; F324-M339 HydrophobicContact CE1-CE 3.69Å; F324-M339 HydrophobicContact CE1-CG 4.21Å; F324-M339 HydrophobicContact CE1-SD 4.06Å; F324-M339 HydrophobicContact CZ-CE 3.64Å; F324-M339 HydrophobicContact CZ-CG 4.28Å; F324-M339 HydrophobicContact CZ-SD 4.44Å; F324-L342 HydrophobicContact CD2-CD1 4.08Å; F324-L342 HydrophobicContact CE2-CD1 3.4Å; F324-L342 VanDerWaalsContact CE2-CD1 3.4Å; F324-L342 HydrophobicContact CZ-CD1 4.32Å |
| 325 | T | 84 | Confident | 87.1 | Confident | 69 Ų | 69 | 75.7 Ų | 75.7 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 134.1 | 167.8 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | S321 L327 K338 | S321-T325 PolarHBondContact O-N 2.55Å; S321-T325 PolarHBondContact O-OG1 2.83Å; T325-L327 VanDerWaalsContact C-N 3.27Å; T325-L327 PolarHBondContact O-N 3.05Å; T325-K338 PolarHBondContact O-NZ 3.25Å |
| 326 | N | 81.9 | Confident | 87.3 | Confident | 98 Ų | 98 | 75.1 Ų | 75.1 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 22.7 | 178.9 | -57.9 | -15 | 0 | 0 | 0 | 116.1 | F324 D328 Q329 | F324-N326 PolarHBondContact O-N 2.91Å; N326-D328 PolarHBondContact O-N 2.93Å; N326-Q329 WeakPolarHBondContact O-CB 3.3Å; N326-Q329 PolarHBondContact O-N 2.88Å; N326-Q329 VanDerWaalsContact O-N 3.12Å |
| 327 | L | 82.6 | Confident | 87.4 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -57.1 | -34.8 | 177.9 | -78.3 | 170.8 | 0 | 0 | 0 | 113.8 | F324 T325 Q329 L330 K335 K338 | F324-L327 HydrophobicContact CB-CD1 3.65Å; F324-L327 HydrophobicContact CB-CG 4.36Å; F324-L327 HydrophobicContact CD1-CD1 3.19Å; F324-L327 HydrophobicContact CE1-CD1 4.14Å; F324-L327 HydrophobicContact CG-CD1 3.67Å; F324-L327 WeakPolarHBondContact O-CG 3.05Å; F324-L327 PolarHBondContact O-N 2.87Å; T325-L327 VanDerWaalsContact C-N 3.27Å; T325-L327 PolarHBondContact O-N 3.05Å; L327-Q329 PolarHBondContact O-N 2.92Å; L327-Q329 VanDerWaalsContact O-N 3.1Å; L327-L330 HydrophobicContact CD2-CD1 4.33Å; L327-L330 PolarHBondContact O-N 2.89Å; L327-K335 HydrophobicContact CB-CG 4.38Å; L327-K335 HydrophobicContact CD2-CB 3.91Å; L327-K335 HydrophobicContact CD2-CG 3.74Å; L327-K335 WeakPolarHBondContact O-CE 3.38Å; L327-K338 HydrophobicContact CD2-CD 4.44Å |
| 328 | D | 80.9 | Confident | 87.5 | Confident | 155 Ų | 155 | 69.7 Ų | 69.7 | 83% | 0.829 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -64.9 | -14.5 | -178.4 | -58.2 | -44 | 0 | 0 | 0 | 113.3 | N326 | N326-D328 PolarHBondContact O-N 2.93Š|
| 329 | Q | 86.1 | Confident | 87.7 | Confident | 154 Ų | 154 | 68.2 Ų | 68.2 | 72% | 0.72 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -93.4 | -4.8 | 177.1 | -60.1 | 174.7 | -5.2 | 0 | 0 | 113.2 | N326 L327 | N326-Q329 WeakPolarHBondContact O-CB 3.3Å; N326-Q329 PolarHBondContact O-N 2.88Å; N326-Q329 VanDerWaalsContact O-N 3.12Å; L327-Q329 PolarHBondContact O-N 2.92Å; L327-Q329 VanDerWaalsContact O-N 3.1Å |
| 330 | L | 87.1 | Confident | 88.1 | Confident | 51 Ų | 51 | 65.3 Ų | 65.3 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -104.5 | 156.5 | -173 | -63.5 | 177.9 | 0 | 0 | 0 | 112.4 | L327 E334 K335 K338 | L327-L330 HydrophobicContact CD2-CD1 4.33Å; L327-L330 PolarHBondContact O-N 2.89Å; L330-E334 HydrophobicContact CB-CB 3.98Å; L330-E334 HydrophobicContact CD1-CB 4.4Å; L330-E334 HydrophobicContact CD2-CB 4.38Å; L330-E334 HydrophobicContact CG-CB 4.49Å; L330-K335 HydrophobicContact CB-CG 4.05Å; L330-K335 WeakPolarHBondContact O-CE 3.42Å; L330-K338 HydrophobicContact CD1-CD 3.47Å; L330-K338 VanDerWaalsContact CD1-CD 3.47Å |
| 331 | T | 92.1 | Very high | 88.4 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | trans | -68.5 | 159.9 | 168.9 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | E333 E334 K335 | T331-E333 VanDerWaalsContact C-N 3.25Å; T331-E333 PolarHBondContact O-N 2.82Å; T331-E334 VanDerWaalsContact CB-OE2 3.31Å; T331-E334 WeakPolarHBondContact CB-OE2 3.45Å; T331-E334 WeakPolarHBondContact CG2-OE2 3.36Å; T331-E334 PolarHBondContact N-OE2 2.83Å; T331-E334 PolarHBondContact O-N 2.88Å; T331-E334 VanDerWaalsContact OG1-CD 3.27Å; T331-E334 VanDerWaalsContact OG1-CG 3.29Å; T331-E334 WeakPolarHBondContact OG1-CG 3.48Å; T331-E334 PolarHBondContact OG1-N 2.9Å; T331-E334 PolarHBondContact OG1-OE2 2.94Å; T331-K335 WeakPolarHBondContact O-CG 3.26Å; T331-K335 PolarHBondContact O-N 2.98Å | ||
| 332 | E | 90.3 | Very high | 88.8 | Confident | 99 Ų | 99 | 66.9 Ų | 66.9 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.1 | -38.4 | 178 | -65.3 | -63.8 | 106.3 | 0 | 0 | 112.4 | L278 K335 L336 | L278-E332 HydrophobicContact CD2-CB 4.17Å; L278-E332 VanDerWaalsContact CD2-O 3.27Å; L278-E332 WeakPolarHBondContact CD2-O 3.21Å; E332-K335 PolarHBondContact O-N 2.89Å; E332-K335 WeakPolarHBondContact OE1-CD 3.44Å; E332-K335 IonicContact OE1-NZ 3.59Å; E332-K335 PolarHBondContact OE1-NZ 3.38Å; E332-L336 WeakPolarHBondContact O-CB 3.46Å; E332-L336 PolarHBondContact O-N 3.04Å |
| 333 | E | 92.3 | Very high | 89.2 | Confident | 108 Ų | 108 | 67.2 Ų | 67.2 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 177.1 | -173 | 56.9 | -144.7 | 0 | 0 | 111.3 | T331 K335 L336 Q337 | T331-E333 VanDerWaalsContact C-N 3.25Å; T331-E333 PolarHBondContact O-N 2.82Å; E333-K335 PolarHBondContact O-N 3.22Å; E333-L336 WeakPolarHBondContact O-CB 3.34Å; E333-L336 PolarHBondContact O-N 3.43Å; E333-Q337 HydrophobicContact CG-CG 4.47Å; E333-Q337 VanDerWaalsContact O-CG 3.3Å; E333-Q337 WeakPolarHBondContact O-CG 3.44Å; E333-Q337 PolarHBondContact O-N 2.81Å; E333-Q337 PolarHBondContact OE1-NE2 3.37Å |
| 334 | E | 91.8 | Very high | 89.6 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 177 | -69.3 | 164.8 | 130 | 0 | 0 | 112.5 | L330 T331 Q337 K338 | L330-E334 HydrophobicContact CB-CB 3.98Å; L330-E334 HydrophobicContact CD1-CB 4.4Å; L330-E334 HydrophobicContact CD2-CB 4.38Å; L330-E334 HydrophobicContact CG-CB 4.49Å; T331-E334 VanDerWaalsContact CB-OE2 3.31Å; T331-E334 WeakPolarHBondContact CB-OE2 3.45Å; T331-E334 WeakPolarHBondContact CG2-OE2 3.36Å; T331-E334 PolarHBondContact N-OE2 2.83Å; T331-E334 PolarHBondContact O-N 2.88Å; T331-E334 VanDerWaalsContact OG1-CD 3.27Å; T331-E334 VanDerWaalsContact OG1-CG 3.29Å; T331-E334 WeakPolarHBondContact OG1-CG 3.48Å; T331-E334 PolarHBondContact OG1-N 2.9Å; T331-E334 PolarHBondContact OG1-OE2 2.94Å; E334-Q337 PolarHBondContact O-N 2.72Å; E334-K338 WeakPolarHBondContact O-CG 3.36Å; E334-K338 PolarHBondContact O-N 3.21Å |
| 335 | K | 90.4 | Very high | 90.2 | Very high | 45 Ų | 45 | 67.2 Ų | 67.2 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 172.1 | -69.1 | 173.6 | -173.4 | 161.9 | 0 | 110.7 | L278 L327 L330 T331 E332 E333 K338 M339 | L278-K335 HydrophobicContact CD2-CB 4.48Å; L327-K335 HydrophobicContact CB-CG 4.38Å; L327-K335 HydrophobicContact CD2-CB 3.91Å; L327-K335 HydrophobicContact CD2-CG 3.74Å; L327-K335 WeakPolarHBondContact O-CE 3.38Å; L330-K335 HydrophobicContact CB-CG 4.05Å; L330-K335 WeakPolarHBondContact O-CE 3.42Å; T331-K335 WeakPolarHBondContact O-CG 3.26Å; T331-K335 PolarHBondContact O-N 2.98Å; E332-K335 PolarHBondContact O-N 2.89Å; E332-K335 WeakPolarHBondContact OE1-CD 3.44Å; E332-K335 IonicContact OE1-NZ 3.59Å; E332-K335 PolarHBondContact OE1-NZ 3.38Å; E333-K335 PolarHBondContact O-N 3.22Å; K335-K338 PolarHBondContact O-N 3.33Å; K335-M339 WeakPolarHBondContact O-CB 3.35Å; K335-M339 WeakPolarHBondContact O-CG 3.39Å; K335-M339 PolarHBondContact O-N 2.98Å |
| 336 | L | 92.5 | Very high | 90.8 | Very high | 17 Ų | 17 | 65.3 Ų | 65.3 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 178.8 | 176.9 | 61.1 | 0 | 0 | 0 | 111.2 | P274 L277 L278 E332 E333 K338 M339 L340 | P274-L336 HydrophobicContact CB-CD1 3.7Å; P274-L336 HydrophobicContact CB-CD2 3.89Å; P274-L336 HydrophobicContact CB-CG 4.46Å; P274-L336 HydrophobicContact CG-CD1 4.35Å; L277-L336 HydrophobicContact CB-CD1 4.36Å; L277-L336 HydrophobicContact CD1-CD1 4.19Å; L278-L336 HydrophobicContact CD2-CB 3.9Å; L278-L336 HydrophobicContact CG-CB 4.36Å; E332-L336 WeakPolarHBondContact O-CB 3.46Å; E332-L336 PolarHBondContact O-N 3.04Å; E333-L336 WeakPolarHBondContact O-CB 3.34Å; E333-L336 PolarHBondContact O-N 3.43Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-K338 PolarHBondContact O-N 3.2Å; L336-M339 PolarHBondContact O-N 2.55Å; L336-M339 VanDerWaalsContact O-N 3.11Å; L336-L340 HydrophobicContact CD1-CD1 3.97Å; L336-L340 HydrophobicContact CD1-CD2 4.28Å; L336-L340 HydrophobicContact CD1-CG 3.87Å; L336-L340 HydrophobicContact CG-CD1 3.85Å; L336-L340 HydrophobicContact CG-CG 4.22Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.34Å; L336-L340 PolarHBondContact O-N 2.71Å |
| 337 | Q | 92.2 | Very high | 91.6 | Very high | 100 Ų | 100 | 60.7 Ų | 60.7 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 179.1 | -67.4 | -59.8 | -25.4 | 0 | 0 | 112.3 | E333 E334 | E333-Q337 HydrophobicContact CG-CG 4.47Å; E333-Q337 VanDerWaalsContact O-CG 3.3Å; E333-Q337 WeakPolarHBondContact O-CG 3.44Å; E333-Q337 PolarHBondContact O-N 2.81Å; E333-Q337 PolarHBondContact OE1-NE2 3.37Å; E334-Q337 PolarHBondContact O-N 2.72Å |
| 338 | K | 91.5 | Very high | 92.3 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 171 | -72.3 | -173.6 | 90 | -155.2 | 0 | 111.4 | S322 V323 T325 L327 L330 E334 K335 L336 L340 K341 | S322-K338 PolarHBondContact O-NZ 3.33Å; V323-K338 HydrophobicContact CG1-CB 4.21Å; V323-K338 VanDerWaalsContact CG1-O 3.26Å; V323-K338 WeakPolarHBondContact CG1-O 3.21Å; V323-K338 WeakPolarHBondContact O-CE 3.4Å; V323-K338 PolarHBondContact O-NZ 3.3Å; T325-K338 PolarHBondContact O-NZ 3.25Å; L327-K338 HydrophobicContact CD2-CD 4.44Å; L330-K338 HydrophobicContact CD1-CD 3.47Å; L330-K338 VanDerWaalsContact CD1-CD 3.47Å; E334-K338 WeakPolarHBondContact O-CG 3.36Å; E334-K338 PolarHBondContact O-N 3.21Å; K335-K338 PolarHBondContact O-N 3.33Å; L336-K338 VanDerWaalsContact C-N 3.33Å; L336-K338 PolarHBondContact O-N 3.2Å; K338-L340 PolarHBondContact O-N 3.33Å; K338-K341 WeakPolarHBondContact O-CB 3.37Å; K338-K341 PolarHBondContact O-N 2.77Å |
| 339 | M | 91.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -35.8 | -177 | -75.9 | -171.2 | 73.7 | 0 | 0 | 114 | L277 L284 V323 F324 K335 L336 K341 L342 | L277-M339 HydrophobicContact CB-CE 3.84Å; L277-M339 HydrophobicContact CB-SD 4.17Å; L277-M339 HydrophobicContact CD2-CE 3.68Å; L277-M339 HydrophobicContact CG-CE 4.34Å; L284-M339 HydrophobicContact CD1-CE 4.47Å; V323-M339 HydrophobicContact CG1-CG 4.48Å; F324-M339 HydrophobicContact CE1-CE 3.69Å; F324-M339 HydrophobicContact CE1-CG 4.21Å; F324-M339 HydrophobicContact CE1-SD 4.06Å; F324-M339 HydrophobicContact CZ-CE 3.64Å; F324-M339 HydrophobicContact CZ-CG 4.28Å; F324-M339 HydrophobicContact CZ-SD 4.44Å; K335-M339 WeakPolarHBondContact O-CB 3.35Å; K335-M339 WeakPolarHBondContact O-CG 3.39Å; K335-M339 PolarHBondContact O-N 2.98Å; L336-M339 PolarHBondContact O-N 2.55Å; L336-M339 VanDerWaalsContact O-N 3.11Å; M339-K341 PolarHBondContact O-N 2.93Å; M339-L342 PolarHBondContact O-N 3.47Å |
| 340 | L | 93.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.3 | -28.4 | 177.8 | -74.3 | 171.1 | 0 | 0 | 0 | 112.5 | L277 L336 K338 L342 N343 | L277-L340 HydrophobicContact CD1-CD2 3.8Å; L277-L340 HydrophobicContact CD1-CG 4.39Å; L336-L340 HydrophobicContact CD1-CD1 3.97Å; L336-L340 HydrophobicContact CD1-CD2 4.28Å; L336-L340 HydrophobicContact CD1-CG 3.87Å; L336-L340 HydrophobicContact CG-CD1 3.85Å; L336-L340 HydrophobicContact CG-CG 4.22Å; L336-L340 VanDerWaalsContact O-CG 3.32Å; L336-L340 WeakPolarHBondContact O-CG 3.34Å; L336-L340 PolarHBondContact O-N 2.71Å; K338-L340 PolarHBondContact O-N 3.33Å; L340-L342 PolarHBondContact O-N 2.85Å; L340-L342 VanDerWaalsContact O-N 3.14Å; L340-N343 PolarHBondContact O-N 3.43Å |
| 341 | K | 92.9 | Very high | 94.2 | Very high | 113 Ų | 113 | 44.4 Ų | 44.4 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.9 | 177.4 | -63.7 | -179.9 | 178.5 | -169.9 | 0 | 114.5 | C315 N318 K338 M339 N343 | C315-K341 VanDerWaalsContact CB-O 3.27Å; C315-K341 WeakPolarHBondContact CB-O 3.43Å; C315-K341 PolarHBondContact SG-O 3.33Å; N318-K341 HydrophobicContact CB-CB 4.4Å; K338-K341 WeakPolarHBondContact O-CB 3.37Å; K338-K341 PolarHBondContact O-N 2.77Å; M339-K341 PolarHBondContact O-N 2.93Å; K341-N343 VanDerWaalsContact C-N 3.31Å |
| 342 | L | 93.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -16.9 | 177.6 | -63 | 176.2 | 0 | 0 | 0 | 112.9 | Q313 C314 C315 N318 I320 V323 F324 M339 L340 L344 | Q313-L342 HydrophobicContact CG-CB 4.24Å; Q313-L342 HydrophobicContact CG-CD2 4.31Å; Q313-L342 WeakPolarHBondContact CG-O 3.36Å; C314-L342 PolarHBondContact N-O 2.81Å; C315-L342 PolarHBondContact N-O 3.28Å; N318-L342 HydrophobicContact CB-CD2 4.14Å; I320-L342 HydrophobicContact CG1-CD2 4.47Å; I320-L342 HydrophobicContact CG2-CD1 4.48Å; V323-L342 HydrophobicContact CB-CD1 4.11Å; V323-L342 HydrophobicContact CB-CD2 4.29Å; V323-L342 HydrophobicContact CB-CG 4.21Å; V323-L342 HydrophobicContact CG1-CD1 3.75Å; V323-L342 HydrophobicContact CG1-CG 4.02Å; V323-L342 HydrophobicContact CG2-CD1 4.37Å; V323-L342 HydrophobicContact CG2-CD2 3.78Å; V323-L342 HydrophobicContact CG2-CG 3.9Å; F324-L342 HydrophobicContact CD2-CD1 4.08Å; F324-L342 HydrophobicContact CE2-CD1 3.4Å; F324-L342 VanDerWaalsContact CE2-CD1 3.4Å; F324-L342 HydrophobicContact CZ-CD1 4.32Å; M339-L342 PolarHBondContact O-N 3.47Å; L340-L342 PolarHBondContact O-N 2.85Å; L340-L342 VanDerWaalsContact O-N 3.14Å; L342-L344 HydrophobicContact CB-CD2 3.6Å; L342-L344 HydrophobicContact CB-CG 3.86Å; L342-L344 HydrophobicContact CD1-CD2 4.23Å; L342-L344 PolarHBondContact O-N 3.18Å |
| 343 | N | 94.2 | Very high | 94.9 | Very high | 66 Ų | 66 | 36 Ų | 36 | 35% | 0.353 | 17% | 0.167 | S | C | . | . | trans | 49.4 | 57.1 | -176.5 | -159.2 | 25.2 | 0 | 0 | 0 | 111.7 | L271 C314 C315 L340 K341 | L271-N343 WeakPolarHBondContact CD2-OD1 3.48Å; C314-N343 HydrophobicContact CB-CB 4.17Å; C314-N343 VanDerWaalsContact CB-O 3.29Å; C314-N343 WeakPolarHBondContact CB-O 3.2Å; C314-N343 PolarHBondContact N-O 2.82Å; C314-N343 PolarHBondContact SG-O 3.01Å; C315-N343 HydrophobicContact CB-CB 4.05Å; L340-N343 PolarHBondContact O-N 3.43Å; K341-N343 VanDerWaalsContact C-N 3.31Å | ||
| 344 | L | 95.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.4 | -173.4 | -59.6 | -175.7 | 0 | 0 | 0 | 111.6 | L272 L277 L284 I286 V311 L312 Q313 L342 | L272-L344 HydrophobicContact CB-CB 4.41Å; L272-L344 HydrophobicContact CD1-CB 4.41Å; L272-L344 HydrophobicContact CD2-CB 4.32Å; L272-L344 PolarHBondContact N-O 2.83Å; L277-L344 HydrophobicContact CD2-CB 4.48Å; L277-L344 HydrophobicContact CD2-CD1 3.97Å; L284-L344 HydrophobicContact CD1-CD1 3.79Å; I286-L344 HydrophobicContact CD1-CD1 3.77Å; I286-L344 HydrophobicContact CD1-CD2 4.36Å; I286-L344 HydrophobicContact CG1-CD1 4.24Å; I286-L344 HydrophobicContact CG2-CD2 3.89Å; V311-L344 HydrophobicContact CG2-CB 4.48Å; V311-L344 HydrophobicContact CG2-CD1 4.31Å; L312-L344 WeakPolarHBondContact O-CA 3.22Å; Q313-L344 HydrophobicContact CB-CD2 4.01Å; Q313-L344 HydrophobicContact CG-CD2 4.45Å; L342-L344 HydrophobicContact CB-CD2 3.6Å; L342-L344 HydrophobicContact CB-CG 3.86Å; L342-L344 HydrophobicContact CD1-CD2 4.23Å; L342-L344 PolarHBondContact O-N 3.18Å |
| 345 | R | 96.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 158.9 | 173.2 | 72 | 173.8 | 178.3 | 83.5 | -10.7 | 113.6 | Y270 L271 L272 V311 L312 C314 E351 | Y270-R345 CarbonylContact O-C 3.54Å; Y270-R345 VanDerWaalsContact O-CA 3.26Å; Y270-R345 WeakPolarHBondContact O-CA 3.29Å; Y270-R345 WeakPolarHBondContact O-CB 3.39Å; L271-R345 HydrophobicContact CD2-CB 4.25Å; L272-R345 VanDerWaalsContact CD1-C 3.5Å; V311-R345 CarbonylContact C-O 3.58Å; V311-R345 WeakPolarHBondContact CA-O 3.45Å; V311-R345 WeakPolarHBondContact CB-O 3.42Å; L312-R345 HydrophobicContact CB-CG 4.25Å; L312-R345 PolarHBondContact N-O 3.34Å; L312-R345 PolarHBondContact O-N 3.36Å; C314-R345 VanDerWaalsContact SG-CG 3.59Å; R345-E351 IonicContact CZ-OE1 2.66Å; R345-E351 IonicContact CZ-OE2 3.42Å; R345-E351 IonicContact NH1-OE1 3.12Å; R345-E351 IonicContact NH1-OE2 2.86Å; R345-E351 PolarHBondContact NH1-OE2 2.87Å; R345-E351 IonicContact NH2-OE1 2.71Å; R345-E351 PolarHBondContact NH2-OE1 3.44Å; R345-E351 IonicContact NH2-OE2 3.37Å; R345-E351 PolarHBondContact NH2-OE2 3.21Å |
| 346 | Y | 97.9 | Very high | 95.9 | Very high | 28 Ų | 28 | 25 Ų | 25 | 11% | 0.11 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 150.9 | 161.3 | -61 | -72.2 | 0 | 0 | 0 | 110.5 | Y270 L272 Y301 V311 | Y270-Y346 WeakPolarHBondContact O-CD2 3.02Å; Y270-Y346 PolarHBondContact O-N 3.29Å; L272-Y346 HydrophobicContact CD1-CD1 4.23Å; L272-Y346 HydrophobicContact CD1-CD2 3.92Å; L272-Y346 HydrophobicContact CD1-CE1 4.19Å; L272-Y346 HydrophobicContact CD1-CE2 3.88Å; L272-Y346 HydrophobicContact CD1-CG 4.1Å; L272-Y346 HydrophobicContact CG-CE2 4.2Å; Y301-Y346 HydrophobicContact CE1-CD1 4.13Å; Y301-Y346 HydrophobicContact CE1-CG 4.49Å; Y301-Y346 AromaticContact CE2-CD1 3.87Å; Y301-Y346 HydrophobicContact CE2-CD1 3.87Å; Y301-Y346 HydrophobicContact CE2-CE1 4.48Å; Y301-Y346 AromaticContact CZ-CD1 3.64Å; Y301-Y346 WeakPolarHBondContact OH-CA 3.32Å; V311-Y346 HydrophobicContact CG1-CD1 3.88Å; V311-Y346 HydrophobicContact CG1-CE1 4.04Å |
| 347 | F | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 137.3 | 163.7 | -74.2 | -89.4 | 0 | 0 | 0 | 109.1 | I255 L259 V287 F297 Y301 S310 L312 E351 V352 L355 Y374 | I255-F347 HydrophobicContact CD1-CZ 4.21Å; I255-F347 HydrophobicContact CG2-CE1 3.61Å; I255-F347 HydrophobicContact CG2-CZ 3.82Å; L259-F347 HydrophobicContact CD2-CD1 4.02Å; L259-F347 HydrophobicContact CD2-CE1 3.68Å; V287-F347 HydrophobicContact CG2-CE2 3.71Å; V287-F347 HydrophobicContact CG2-CZ 3.61Å; F297-F347 HydrophobicContact CE1-CB 4.37Å; F297-F347 AromaticContact CE1-CD2 3.87Å; F297-F347 HydrophobicContact CE1-CD2 3.87Å; F297-F347 HydrophobicContact CE1-CG 4.34Å; F297-F347 HydrophobicContact CZ-CB 4.32Å; F297-F347 AromaticContact CZ-CD2 3.67Å; F297-F347 HydrophobicContact CZ-CD2 3.67Å; F297-F347 HydrophobicContact CZ-CE2 4.16Å; F297-F347 AromaticContact CZ-CG 3.98Å; F297-F347 HydrophobicContact CZ-CG 3.98Å; Y301-F347 HydrophobicContact CE1-CB 4.37Å; Y301-F347 PolarHBondContact OH-N 2.66Å; S310-F347 WeakPolarHBondContact O-CD2 3.3Å; L312-F347 HydrophobicContact CB-CE1 4.47Å; L312-F347 HydrophobicContact CB-CE2 4.18Å; L312-F347 HydrophobicContact CB-CZ 4.07Å; L312-F347 HydrophobicContact CD1-CE1 4.35Å; L312-F347 HydrophobicContact CD1-CZ 4.03Å; F347-E351 VanDerWaalsContact CA-OE2 3.3Å; F347-E351 WeakPolarHBondContact CA-OE2 3.48Å; F347-E351 HydrophobicContact CB-CB 4.31Å; F347-E351 HydrophobicContact CD1-CB 4.12Å; F347-V352 HydrophobicContact CB-CG2 3.74Å; F347-L355 HydrophobicContact CD1-CD1 4.24Å; F347-L355 HydrophobicContact CE1-CD1 4.22Å; F347-Y374 VanDerWaalsContact O-CE1 3.31Å; F347-Y374 WeakPolarHBondContact O-CE1 3.26Å; F347-Y374 PolarHBondContact O-OH 3.31Å |
| 348 | T | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 161.7 | 176.6 | 80.8 | 0 | 0 | 0 | 0 | 110.3 | E260 I265 Y270 R350 E351 V352 | E260-T348 WeakPolarHBondContact OE2-CB 3.48Å; E260-T348 WeakPolarHBondContact OE2-CG2 3.29Å; E260-T348 PolarHBondContact OE2-OG1 3.43Å; I265-T348 HydrophobicContact CD1-CG2 4.19Å; I265-T348 HydrophobicContact CG1-CG2 4.36Å; I265-T348 HydrophobicContact CG2-CG2 3.92Å; Y270-T348 HydrophobicContact CD1-CG2 4.45Å; Y270-T348 HydrophobicContact CD2-CG2 4.07Å; Y270-T348 HydrophobicContact CE1-CG2 4.3Å; Y270-T348 HydrophobicContact CE2-CG2 3.88Å; Y270-T348 HydrophobicContact CG-CG2 4.35Å; T348-R350 PolarHBondContact O-N 3.18Å; T348-R350 PolarHBondContact OG1-N 2.75Å; T348-E351 HydrophobicContact CG2-CG 4.35Å; T348-E351 PolarHBondContact N-OE2 2.77Å; T348-E351 PolarHBondContact O-N 2.85Å; T348-E351 WeakPolarHBondContact OG1-CG 3.41Å; T348-E351 PolarHBondContact OG1-N 3.07Å; T348-V352 WeakPolarHBondContact O-CG2 3.44Å; T348-V352 PolarHBondContact O-N 3.06Å |
| 349 | P | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.013 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.4 | -33.1 | 172.7 | -26.5 | 36.3 | 0 | 0 | 0 | 113.3 | A353 F364 I370 Q373 Y374 L377 | P349-A353 VanDerWaalsContact O-CB 3.32Å; P349-A353 WeakPolarHBondContact O-CB 3.44Å; P349-A353 PolarHBondContact O-N 2.8Å; P349-F364 HydrophobicContact CB-CE2 3.99Å; P349-I370 HydrophobicContact CG-CG2 4.02Å; P349-Q373 HydrophobicContact CB-CB 3.78Å; P349-Q373 HydrophobicContact CG-CB 4Å; P349-Q373 VanDerWaalsContact CG-OE1 3.24Å; P349-Y374 HydrophobicContact CB-CD1 4.48Å; P349-Y374 HydrophobicContact CB-CE1 4.3Å; P349-Y374 HydrophobicContact CG-CD1 4.12Å; P349-Y374 HydrophobicContact CG-CE1 3.69Å; P349-L377 HydrophobicContact CB-CD1 4.02Å; P349-L377 WeakPolarHBondContact O-CD1 3.41Å |
| 350 | R | 97.8 | Very high | 97 | Very high | 35 Ų | 35 | 26.5 Ų | 26.5 | 13% | 0.132 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.6 | -39.5 | 177.9 | -178.3 | 62.6 | -85.4 | -163.7 | -13.2 | 111.5 | E260 T348 A353 N354 F358 P359 F362 | E260-R350 HydrophobicContact CG-CB 4.37Å; E260-R350 HydrophobicContact CG-CG 4.1Å; E260-R350 WeakPolarHBondContact OE1-CB 3.48Å; E260-R350 WeakPolarHBondContact OE1-CG 3.44Å; T348-R350 PolarHBondContact O-N 3.18Å; T348-R350 PolarHBondContact OG1-N 2.75Å; R350-A353 WeakPolarHBondContact O-CB 3.41Å; R350-A353 PolarHBondContact O-N 3Å; R350-N354 PolarHBondContact NE-OD1 2.88Å; R350-N354 PolarHBondContact NH2-OD1 2.88Å; R350-N354 PolarHBondContact O-N 3.07Å; R350-N354 PolarHBondContact O-OD1 3.06Å; R350-N354 VanDerWaalsContact O-OD1 3.04Å; R350-F358 PolarHBondContact NH2-O 3.13Å; R350-P359 PolarHBondContact NH1-O 2.96Å; R350-P359 PolarHBondContact NH2-O 3.1Å; R350-F362 PolarHBondContact NH1-O 3.09Å |
| 351 | E | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 172.9 | -64.8 | 175.3 | 149.3 | 0 | 0 | 112.2 | L259 E260 R345 F347 T348 A353 N354 L355 | L259-E351 WeakPolarHBondContact CA-OE1 3.26Å; L259-E351 HydrophobicContact CD2-CG 4.5Å; L259-E351 WeakPolarHBondContact CD2-OE1 3.32Å; E260-E351 HydrophobicContact CB-CG 4.33Å; E260-E351 HydrophobicContact CG-CG 3.99Å; E260-E351 PolarHBondContact N-OE1 3.06Å; R345-E351 IonicContact CZ-OE1 2.66Å; R345-E351 IonicContact CZ-OE2 3.42Å; R345-E351 IonicContact NH1-OE1 3.12Å; R345-E351 IonicContact NH1-OE2 2.86Å; R345-E351 PolarHBondContact NH1-OE2 2.87Å; R345-E351 IonicContact NH2-OE1 2.71Å; R345-E351 PolarHBondContact NH2-OE1 3.44Å; R345-E351 IonicContact NH2-OE2 3.37Å; R345-E351 PolarHBondContact NH2-OE2 3.21Å; F347-E351 VanDerWaalsContact CA-OE2 3.3Å; F347-E351 WeakPolarHBondContact CA-OE2 3.48Å; F347-E351 HydrophobicContact CB-CB 4.31Å; F347-E351 HydrophobicContact CD1-CB 4.12Å; T348-E351 HydrophobicContact CG2-CG 4.35Å; T348-E351 PolarHBondContact N-OE2 2.77Å; T348-E351 PolarHBondContact O-N 2.85Å; T348-E351 WeakPolarHBondContact OG1-CG 3.41Å; T348-E351 PolarHBondContact OG1-N 3.07Å; E351-A353 VanDerWaalsContact C-N 3.31Å; E351-A353 PolarHBondContact O-N 2.94Å; E351-N354 WeakPolarHBondContact O-CB 3.26Å; E351-N354 PolarHBondContact O-N 3.38Å; E351-L355 PolarHBondContact O-N 2.92Å |
| 352 | V | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 172.6 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | F297 Y301 F347 T348 L355 M356 Y374 L377 | F297-V352 HydrophobicContact CB-CG1 4.09Å; F297-V352 HydrophobicContact CD1-CG2 4.05Å; F297-V352 HydrophobicContact CD2-CG1 4.01Å; F297-V352 HydrophobicContact CD2-CG2 4.31Å; F297-V352 HydrophobicContact CE1-CG2 4.05Å; F297-V352 HydrophobicContact CE2-CG2 4.31Å; F297-V352 HydrophobicContact CG-CG1 3.99Å; F297-V352 HydrophobicContact CG-CG2 4.19Å; F297-V352 HydrophobicContact CZ-CG2 4.18Å; Y301-V352 HydrophobicContact CE1-CG2 4.33Å; F347-V352 HydrophobicContact CB-CG2 3.74Å; T348-V352 WeakPolarHBondContact O-CG2 3.44Å; T348-V352 PolarHBondContact O-N 3.06Å; V352-L355 PolarHBondContact O-N 3.16Å; V352-M356 HydrophobicContact CG1-CE 3.71Å; V352-M356 HydrophobicContact CG1-SD 4.13Å; V352-M356 WeakPolarHBondContact O-CG 3.35Å; V352-M356 PolarHBondContact O-N 3.07Å; V352-Y374 HydrophobicContact CG2-CE1 4.37Å; V352-L377 HydrophobicContact CB-CD1 4.13Å; V352-L377 HydrophobicContact CG1-CB 4.08Å; V352-L377 HydrophobicContact CG1-CD1 4.02Å |
| 353 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P349 R350 E351 M356 G357 F358 F362 L377 | P349-A353 VanDerWaalsContact O-CB 3.32Å; P349-A353 WeakPolarHBondContact O-CB 3.44Å; P349-A353 PolarHBondContact O-N 2.8Å; R350-A353 WeakPolarHBondContact O-CB 3.41Å; R350-A353 PolarHBondContact O-N 3Å; E351-A353 VanDerWaalsContact C-N 3.31Å; E351-A353 PolarHBondContact O-N 2.94Å; A353-M356 CarbonylContact O-C 3.4Å; A353-M356 WeakPolarHBondContact O-CA 3.38Å; A353-M356 PolarHBondContact O-N 3.18Å; A353-M356 VanDerWaalsContact O-N 3.11Å; A353-G357 PolarHBondContact O-N 3.49Å; A353-G357 VanDerWaalsContact O-N 3.16Å; A353-F358 HydrophobicContact CB-CB 4.13Å; A353-F358 PolarHBondContact O-N 3.22Å; A353-F362 HydrophobicContact CB-CD1 3.96Å; A353-F362 HydrophobicContact CB-CE1 3.93Å; A353-L377 HydrophobicContact CB-CD1 4.47Å; A353-L377 HydrophobicContact CB-CD2 3.75Å |
| 354 | N | 98.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 23 Ų | 23 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 172.3 | -61.9 | -12.8 | 0 | 0 | 0 | 110.3 | Y258 R350 E351 M356 G357 | Y258-N354 VanDerWaalsContact CD1-C 3.49Å; Y258-N354 HydrophobicContact CD1-CB 3.93Å; Y258-N354 WeakPolarHBondContact CD1-O 3.34Å; Y258-N354 WeakPolarHBondContact CE1-O 3.37Å; Y258-N354 PolarHBondContact O-ND2 3.26Å; R350-N354 PolarHBondContact NE-OD1 2.88Å; R350-N354 PolarHBondContact NH2-OD1 2.88Å; R350-N354 PolarHBondContact O-N 3.07Å; R350-N354 PolarHBondContact O-OD1 3.06Å; R350-N354 VanDerWaalsContact O-OD1 3.04Å; E351-N354 WeakPolarHBondContact O-CB 3.26Å; E351-N354 PolarHBondContact O-N 3.38Å; N354-M356 PolarHBondContact O-N 2.9Å; N354-G357 WeakPolarHBondContact O-CA 3.1Å; N354-G357 PolarHBondContact O-N 2.66Å |
| 355 | L | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.5 | -14.7 | 177 | -71.3 | 168.2 | 0 | 0 | 0 | 113.5 | V156 P157 N158 Y258 F297 F347 E351 V352 N382 | V156-L355 HydrophobicContact CG1-CD2 4.5Å; V156-L355 WeakPolarHBondContact CG1-O 3.41Å; P157-L355 HydrophobicContact CG-CD2 3.82Å; N158-L355 HydrophobicContact CB-CB 4.39Å; Y258-L355 HydrophobicContact CD1-CD2 3.68Å; Y258-L355 HydrophobicContact CD1-CG 4.04Å; Y258-L355 HydrophobicContact CD2-CD2 3.94Å; Y258-L355 HydrophobicContact CE1-CD2 4.2Å; Y258-L355 HydrophobicContact CE2-CD2 4.48Å; Y258-L355 HydrophobicContact CG-CD2 3.53Å; Y258-L355 HydrophobicContact CG-CG 4.06Å; F297-L355 HydrophobicContact CE2-CB 4.5Å; F297-L355 HydrophobicContact CE2-CD1 3.75Å; F297-L355 HydrophobicContact CZ-CD1 4.15Å; F347-L355 HydrophobicContact CD1-CD1 4.24Å; F347-L355 HydrophobicContact CE1-CD1 4.22Å; E351-L355 PolarHBondContact O-N 2.92Å; V352-L355 PolarHBondContact O-N 3.16Å; L355-N382 PolarHBondContact O-ND2 3.36Å |
| 356 | M | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.4 | 169.4 | -70.7 | 177.2 | -178 | 0 | 0 | 113.1 | F297 V352 A353 N354 F358 L377 N382 V383 | F297-M356 HydrophobicContact CB-CE 3.94Å; V352-M356 HydrophobicContact CG1-CE 3.71Å; V352-M356 HydrophobicContact CG1-SD 4.13Å; V352-M356 WeakPolarHBondContact O-CG 3.35Å; V352-M356 PolarHBondContact O-N 3.07Å; A353-M356 CarbonylContact O-C 3.4Å; A353-M356 WeakPolarHBondContact O-CA 3.38Å; A353-M356 PolarHBondContact O-N 3.18Å; A353-M356 VanDerWaalsContact O-N 3.11Å; N354-M356 PolarHBondContact O-N 2.9Å; M356-F358 VanDerWaalsContact C-N 3.35Å; M356-F358 HydrophobicContact CB-CD2 3.76Å; M356-F358 HydrophobicContact CB-CE2 3.96Å; M356-L377 HydrophobicContact CE-CB 4.31Å; M356-L377 VanDerWaalsContact CE-O 3.25Å; M356-L377 WeakPolarHBondContact CE-O 3.46Å; M356-L377 HydrophobicContact SD-CB 3.94Å; M356-L377 HydrophobicContact SD-CD2 4.01Å; M356-N382 CarbonylContact O-C 3.59Å; M356-N382 WeakPolarHBondContact O-CA 3.45Å; M356-V383 PolarHBondContact O-N 3.07Å |
| 357 | G | 98 | Very high | 97.9 | Very high | 12 Ų | 12 | 36 Ų | 36 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 12.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | A353 N354 V383 | A353-G357 PolarHBondContact O-N 3.49Å; A353-G357 VanDerWaalsContact O-N 3.16Å; N354-G357 WeakPolarHBondContact O-CA 3.1Å; N354-G357 PolarHBondContact O-N 2.66Å; G357-V383 WeakPolarHBondContact O-CB 3.25Å; G357-V383 WeakPolarHBondContact O-CG1 3.29Å |
| 358 | F | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | trans | -69.8 | 134 | 175.4 | -77.6 | -99.4 | 0 | 0 | 0 | 110.2 | I13 Y18 R350 A353 M356 F362 S380 V383 | I13-F358 HydrophobicContact CD1-CE1 4.12Å; I13-F358 HydrophobicContact CD1-CE2 4.44Å; I13-F358 HydrophobicContact CD1-CZ 3.77Å; I13-F358 HydrophobicContact CG1-CE1 4.11Å; I13-F358 HydrophobicContact CG1-CZ 3.88Å; Y18-F358 AromaticContact CD2-CD1 3.52Å; Y18-F358 HydrophobicContact CD2-CD1 3.52Å; Y18-F358 AromaticContact CD2-CE1 3.58Å; Y18-F358 HydrophobicContact CD2-CE1 3.58Å; Y18-F358 AromaticContact CE2-CD1 3.78Å; Y18-F358 HydrophobicContact CE2-CD1 3.78Å; Y18-F358 HydrophobicContact CE2-CE1 4.01Å; Y18-F358 HydrophobicContact CG-CD1 4.29Å; R350-F358 PolarHBondContact NH2-O 3.13Å; A353-F358 HydrophobicContact CB-CB 4.13Å; A353-F358 PolarHBondContact O-N 3.22Å; M356-F358 VanDerWaalsContact C-N 3.35Å; M356-F358 HydrophobicContact CB-CD2 3.76Å; M356-F358 HydrophobicContact CB-CE2 3.96Å; F358-F362 HydrophobicContact CB-CB 4Å; F358-F362 HydrophobicContact CB-CD1 3.83Å; F358-F362 HydrophobicContact CB-CG 4.02Å; F358-F362 HydrophobicContact CD1-CB 4.13Å; F358-F362 AromaticContact CD1-CD1 3.86Å; F358-F362 HydrophobicContact CD1-CD1 3.86Å; F358-F362 AromaticContact CD1-CD2 3.75Å; F358-F362 HydrophobicContact CD1-CD2 3.75Å; F358-F362 HydrophobicContact CD1-CE1 4.19Å; F358-F362 HydrophobicContact CD1-CE2 4.08Å; F358-F362 AromaticContact CD1-CG 3.62Å; F358-F362 HydrophobicContact CD1-CG 3.62Å; F358-F362 HydrophobicContact CD1-CZ 4.3Å; F358-F362 HydrophobicContact CE1-CD2 4.23Å; F358-F362 HydrophobicContact CE1-CE2 4.18Å; F358-F362 HydrophobicContact CE1-CG 4.49Å; F358-F362 HydrophobicContact CE1-CZ 4.43Å; F358-F362 HydrophobicContact CG-CD1 4.01Å; F358-F362 HydrophobicContact CG-CE1 4.4Å; F358-F362 HydrophobicContact CG-CG 4.15Å; F358-S380 WeakPolarHBondContact CZ-OG 3.39Å; F358-V383 HydrophobicContact CD1-CG2 4.33Å; F358-V383 HydrophobicContact CD2-CG2 3.89Å; F358-V383 HydrophobicContact CE1-CG2 4.36Å; F358-V383 HydrophobicContact CE2-CG2 3.91Å; F358-V383 HydrophobicContact CG-CG2 4.11Å; F358-V383 HydrophobicContact CZ-CG2 4.14Å | ||
| 359 | P | 97.8 | Very high | 97.9 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -65.2 | 165.9 | -177.4 | 28.9 | -36.6 | 0 | 0 | 0 | 112 | Y18 R350 S361 F362 | Y18-P359 HydrophobicContact CD1-CG 3.41Å; Y18-P359 VanDerWaalsContact CD1-CG 3.41Å; Y18-P359 HydrophobicContact CE1-CG 3.34Å; Y18-P359 HydrophobicContact CG-CG 4.32Å; R350-P359 PolarHBondContact NH1-O 2.96Å; R350-P359 PolarHBondContact NH2-O 3.1Å; P359-S361 PolarHBondContact O-N 2.86Å; P359-F362 WeakPolarHBondContact O-CB 3.42Å; P359-F362 PolarHBondContact O-N 3.23Å | ||
| 360 | Q | 96.3 | Very high | 97.8 | Very high | 148 Ų | 148 | 41.4 Ų | 41.4 | 69% | 0.692 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.2 | 177.6 | -61.8 | -58.7 | -20.7 | 0 | 0 | 113 | F362 | Q360-F362 VanDerWaalsContact C-N 3.27Å; Q360-F362 PolarHBondContact O-N 3.27Å |
| 361 | S | 97.1 | Very high | 97.7 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 62% | 0.615 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.4 | 174.1 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | P359 S363 | P359-S361 PolarHBondContact O-N 2.86Å; S361-S363 PolarHBondContact O-N 2.9Å |
| 362 | F | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | trans | -69 | 128.8 | 173.8 | 171.9 | -107.3 | 0 | 0 | 0 | 110.9 | I13 Y18 I42 N46 R350 A353 F358 P359 Q360 F364 L377 | I13-F362 HydrophobicContact CD1-CZ 4Å; Y18-F362 HydrophobicContact CE2-CB 4.15Å; Y18-F362 AromaticContact CE2-CD2 3.6Å; Y18-F362 HydrophobicContact CE2-CD2 3.6Å; Y18-F362 HydrophobicContact CE2-CE2 4.43Å; Y18-F362 HydrophobicContact CE2-CG 4.22Å; Y18-F362 AromaticContact CZ-CD2 3.98Å; Y18-F362 WeakPolarHBondContact OH-CA 3.38Å; I42-F362 HydrophobicContact CG2-CE2 3.93Å; I42-F362 HydrophobicContact CG2-CZ 4.19Å; N46-F362 WeakPolarHBondContact OD1-CA 3.33Å; R350-F362 PolarHBondContact NH1-O 3.09Å; A353-F362 HydrophobicContact CB-CD1 3.96Å; A353-F362 HydrophobicContact CB-CE1 3.93Å; F358-F362 HydrophobicContact CB-CB 4Å; F358-F362 HydrophobicContact CB-CD1 3.83Å; F358-F362 HydrophobicContact CB-CG 4.02Å; F358-F362 HydrophobicContact CD1-CB 4.13Å; F358-F362 AromaticContact CD1-CD1 3.86Å; F358-F362 HydrophobicContact CD1-CD1 3.86Å; F358-F362 AromaticContact CD1-CD2 3.75Å; F358-F362 HydrophobicContact CD1-CD2 3.75Å; F358-F362 HydrophobicContact CD1-CE1 4.19Å; F358-F362 HydrophobicContact CD1-CE2 4.08Å; F358-F362 AromaticContact CD1-CG 3.62Å; F358-F362 HydrophobicContact CD1-CG 3.62Å; F358-F362 HydrophobicContact CD1-CZ 4.3Å; F358-F362 HydrophobicContact CE1-CD2 4.23Å; F358-F362 HydrophobicContact CE1-CE2 4.18Å; F358-F362 HydrophobicContact CE1-CG 4.49Å; F358-F362 HydrophobicContact CE1-CZ 4.43Å; F358-F362 HydrophobicContact CG-CD1 4.01Å; F358-F362 HydrophobicContact CG-CE1 4.4Å; F358-F362 HydrophobicContact CG-CG 4.15Å; P359-F362 WeakPolarHBondContact O-CB 3.42Å; P359-F362 PolarHBondContact O-N 3.23Å; Q360-F362 VanDerWaalsContact C-N 3.27Å; Q360-F362 PolarHBondContact O-N 3.27Å; F362-F364 HydrophobicContact CE1-CE1 4.07Å; F362-F364 AromaticContact CE1-CE2 3.81Å; F362-F364 HydrophobicContact CE1-CE2 3.81Å; F362-F364 AromaticContact CE1-CZ 3.54Å; F362-F364 HydrophobicContact CE1-CZ 3.54Å; F362-F364 HydrophobicContact CZ-CD1 4.26Å; F362-F364 AromaticContact CZ-CE1 3.64Å; F362-F364 HydrophobicContact CZ-CE1 3.64Å; F362-F364 HydrophobicContact CZ-CE2 4.23Å; F362-F364 AromaticContact CZ-CZ 3.62Å; F362-F364 HydrophobicContact CZ-CZ 3.62Å; F362-L377 HydrophobicContact CE1-CD2 4.4Å | ||
| 363 | S | 98.1 | Very high | 97.7 | Very high | 52 Ų | 52 | 47.4 Ų | 47.4 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -143.6 | 162.3 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | H45 N46 S361 | H45-S363 PolarHBondContact CD2-O 3.01Å; H45-S363 PolarHBondContact CD2-OG 3.17Å; H45-S363 PolarHBondContact NE2-OG 2.8Å; N46-S363 PolarHBondContact ND2-O 3.42Å; N46-S363 PolarHBondContact OD1-N 2.76Å; N46-S363 PolarHBondContact OD1-O 3.47Å; S361-S363 PolarHBondContact O-N 2.9Å | ||
| 364 | F | 98.4 | Very high | 97.7 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | trans | -99.3 | 143.5 | 173.3 | -62.5 | -77 | 0 | 0 | 0 | 110 | I42 P349 F362 Q373 V376 L377 | I42-F364 HydrophobicContact CD1-CD1 3.91Å; I42-F364 HydrophobicContact CD1-CE1 4.16Å; I42-F364 HydrophobicContact CG1-CD1 4.17Å; I42-F364 HydrophobicContact CG2-CD1 4.01Å; I42-F364 HydrophobicContact CG2-CE1 4.27Å; P349-F364 HydrophobicContact CB-CE2 3.99Å; F362-F364 HydrophobicContact CE1-CE1 4.07Å; F362-F364 AromaticContact CE1-CE2 3.81Å; F362-F364 HydrophobicContact CE1-CE2 3.81Å; F362-F364 AromaticContact CE1-CZ 3.54Å; F362-F364 HydrophobicContact CE1-CZ 3.54Å; F362-F364 HydrophobicContact CZ-CD1 4.26Å; F362-F364 AromaticContact CZ-CE1 3.64Å; F362-F364 HydrophobicContact CZ-CE1 3.64Å; F362-F364 HydrophobicContact CZ-CE2 4.23Å; F362-F364 AromaticContact CZ-CZ 3.62Å; F362-F364 HydrophobicContact CZ-CZ 3.62Å; F364-Q373 HydrophobicContact CB-CG 4.28Å; F364-Q373 HydrophobicContact CD1-CB 4.25Å; F364-Q373 HydrophobicContact CD1-CG 3.78Å; F364-Q373 HydrophobicContact CD2-CB 4.33Å; F364-Q373 VanDerWaalsContact CD2-CD 3.48Å; F364-Q373 HydrophobicContact CD2-CG 3.92Å; F364-Q373 VanDerWaalsContact CD2-OE1 3.24Å; F364-Q373 HydrophobicContact CE1-CB 3.98Å; F364-Q373 HydrophobicContact CE1-CG 4.04Å; F364-Q373 HydrophobicContact CE2-CB 4.08Å; F364-Q373 HydrophobicContact CE2-CG 4.18Å; F364-Q373 HydrophobicContact CG-CB 4.42Å; F364-Q373 HydrophobicContact CG-CG 3.71Å; F364-Q373 HydrophobicContact CZ-CB 3.9Å; F364-Q373 HydrophobicContact CZ-CG 4.25Å; F364-V376 HydrophobicContact CE1-CG2 4.02Å; F364-L377 HydrophobicContact CE2-CD1 4.38Å; F364-L377 HydrophobicContact CZ-CD1 3.84Å; F364-L377 HydrophobicContact CZ-CD2 4.24Å; F364-L377 HydrophobicContact CZ-CG 3.96Å | ||
| 365 | P | 98 | Very high | 97.6 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 7% | 0.071 | 27% | 0.272 | C | S | . | . | trans | -58.1 | 143.6 | 163.3 | -14.7 | 24.3 | 0 | 0 | 0 | 111 | K41 I42 H45 D367 I368 | K41-P365 HydrophobicContact CG-CG 4.18Å; I42-P365 HydrophobicContact CG1-CG 4.44Å; H45-P365 HydrophobicContact CB-CG 3.81Å; P365-D367 PolarHBondContact O-N 3.08Å; P365-D367 VanDerWaalsContact O-N 3.12Å; P365-I368 HydrophobicContact CB-CG1 4.01Å; P365-I368 HydrophobicContact CG-CG1 3.92Å; P365-I368 WeakPolarHBondContact O-CB 3.47Å; P365-I368 PolarHBondContact O-N 3.17Å | ||
| 366 | E | 95.7 | Very high | 97.6 | Very high | 204 Ų | 204 | 52 Ų | 52 | 95% | 0.953 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.5 | -173.1 | -61.9 | 179 | 172.1 | 0 | 0 | 114.3 | I368 | E366-I368 VanDerWaalsContact C-N 3.33Å; E366-I368 PolarHBondContact O-N 3.44Å |
| 367 | D | 96.9 | Very high | 97.6 | Very high | 99 Ų | 99 | 52 Ų | 52 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.1 | -179 | 70.7 | -63.4 | 0 | 0 | 0 | 114.4 | K41 P365 S369 | K41-D367 WeakPolarHBondContact CE-OD1 3.39Å; K41-D367 IonicContact NZ-OD1 2.71Å; K41-D367 PolarHBondContact NZ-OD1 2.89Å; K41-D367 IonicContact NZ-OD2 2.66Å; K41-D367 PolarHBondContact NZ-OD2 3.25Å; P365-D367 PolarHBondContact O-N 3.08Å; P365-D367 VanDerWaalsContact O-N 3.12Å; D367-S369 PolarHBondContact O-N 3.38Å |
| 368 | I | 97.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -80.4 | 106.4 | 175.3 | -54.4 | -52.1 | 0 | 0 | 0 | 109.3 | T38 K41 I42 P365 E366 Q372 Q373 | T38-I368 HydrophobicContact CG2-CD1 4.18Å; K41-I368 HydrophobicContact CD-CD1 4.2Å; I42-I368 HydrophobicContact CD1-CG1 4.31Å; I42-I368 HydrophobicContact CD1-CG2 4.04Å; I42-I368 HydrophobicContact CG1-CD1 4.44Å; I42-I368 HydrophobicContact CG1-CG1 3.98Å; P365-I368 HydrophobicContact CB-CG1 4.01Å; P365-I368 HydrophobicContact CG-CG1 3.92Å; P365-I368 WeakPolarHBondContact O-CB 3.47Å; P365-I368 PolarHBondContact O-N 3.17Å; E366-I368 VanDerWaalsContact C-N 3.33Å; E366-I368 PolarHBondContact O-N 3.44Å; I368-Q372 HydrophobicContact CG2-CB 3.71Å; I368-Q373 HydrophobicContact CB-CG 4.35Å; I368-Q373 HydrophobicContact CG2-CG 3.66Å; I368-Q373 PolarHBondContact O-NE2 3.11Å |
| 369 | S | 97 | Very high | 97.4 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | trans | -59.7 | 148.9 | 178.4 | 68 | 0 | 0 | 0 | 0 | 112.9 | D367 I371 Q372 Q373 | D367-S369 PolarHBondContact O-N 3.38Å; S369-I371 PolarHBondContact O-N 2.99Å; S369-Q372 WeakPolarHBondContact O-CA 3.24Å; S369-Q372 WeakPolarHBondContact O-CB 3.11Å; S369-Q372 PolarHBondContact O-N 3.36Å; S369-Q372 WeakPolarHBondContact OG-CG 3.49Å; S369-Q372 PolarHBondContact OG-OE1 3.36Å; S369-Q373 WeakPolarHBondContact O-CG 3.44Å; S369-Q373 PolarHBondContact O-N 3.49Å | ||
| 370 | I | 96.5 | Very high | 97.4 | Very high | 55 Ų | 55 | 55 Ų | 55 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -47.9 | -40.8 | 179.4 | -64.9 | 172.4 | 0 | 0 | 0 | 112.5 | L269 Y270 P349 Q372 Q373 Y374 | L269-I370 HydrophobicContact CD1-CD1 4.34Å; Y270-I370 HydrophobicContact CE1-CD1 4.29Å; Y270-I370 HydrophobicContact CE1-CG2 4.26Å; P349-I370 HydrophobicContact CG-CG2 4.02Å; I370-Q372 PolarHBondContact O-N 2.97Å; I370-Q373 WeakPolarHBondContact O-CB 3.42Å; I370-Q373 PolarHBondContact O-N 3.25Å; I370-Y374 HydrophobicContact CG2-CD2 3.94Å; I370-Y374 HydrophobicContact CG2-CE2 3.39Å; I370-Y374 WeakPolarHBondContact O-CD2 3.46Å; I370-Y374 PolarHBondContact O-N 3.26Å |
| 371 | I | 96.3 | Very high | 97.5 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 40% | 0.395 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.1 | -33.8 | 177.9 | -61 | -63.8 | 0 | 0 | 0 | 112.3 | S369 R375 | S369-I371 PolarHBondContact O-N 2.99Å; I371-R375 VanDerWaalsContact O-CB 3.29Å; I371-R375 WeakPolarHBondContact O-CB 3.46Å; I371-R375 PolarHBondContact O-N 2.84Å; I371-R375 VanDerWaalsContact O-N 3.15Å |
| 372 | Q | 97.9 | Very high | 97.5 | Very high | 55 Ų | 55 | 44.3 Ų | 44.3 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.8 | -39.2 | 170.4 | -72.7 | 162.6 | -64.6 | 0 | 0 | 111.3 | T38 I368 S369 I370 R375 V376 | T38-Q372 HydrophobicContact CG2-CB 4.19Å; T38-Q372 HydrophobicContact CG2-CG 4.38Å; I368-Q372 HydrophobicContact CG2-CB 3.71Å; S369-Q372 WeakPolarHBondContact O-CA 3.24Å; S369-Q372 WeakPolarHBondContact O-CB 3.11Å; S369-Q372 PolarHBondContact O-N 3.36Å; S369-Q372 WeakPolarHBondContact OG-CG 3.49Å; S369-Q372 PolarHBondContact OG-OE1 3.36Å; I370-Q372 PolarHBondContact O-N 2.97Å; Q372-R375 PolarHBondContact O-N 3.15Å; Q372-V376 WeakPolarHBondContact O-CG2 3.29Å; Q372-V376 PolarHBondContact O-N 3Å |
| 373 | Q | 98.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 15% | 0.145 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.6 | -51.9 | 177.2 | -57 | -179.3 | 15.2 | 0 | 0 | 111.3 | P349 F364 I368 S369 I370 R375 V376 L377 | P349-Q373 HydrophobicContact CB-CB 3.78Å; P349-Q373 HydrophobicContact CG-CB 4Å; P349-Q373 VanDerWaalsContact CG-OE1 3.24Å; F364-Q373 HydrophobicContact CB-CG 4.28Å; F364-Q373 HydrophobicContact CD1-CB 4.25Å; F364-Q373 HydrophobicContact CD1-CG 3.78Å; F364-Q373 HydrophobicContact CD2-CB 4.33Å; F364-Q373 VanDerWaalsContact CD2-CD 3.48Å; F364-Q373 HydrophobicContact CD2-CG 3.92Å; F364-Q373 VanDerWaalsContact CD2-OE1 3.24Å; F364-Q373 HydrophobicContact CE1-CB 3.98Å; F364-Q373 HydrophobicContact CE1-CG 4.04Å; F364-Q373 HydrophobicContact CE2-CB 4.08Å; F364-Q373 HydrophobicContact CE2-CG 4.18Å; F364-Q373 HydrophobicContact CG-CB 4.42Å; F364-Q373 HydrophobicContact CG-CG 3.71Å; F364-Q373 HydrophobicContact CZ-CB 3.9Å; F364-Q373 HydrophobicContact CZ-CG 4.25Å; I368-Q373 HydrophobicContact CB-CG 4.35Å; I368-Q373 HydrophobicContact CG2-CG 3.66Å; I368-Q373 PolarHBondContact O-NE2 3.11Å; S369-Q373 WeakPolarHBondContact O-CG 3.44Å; S369-Q373 PolarHBondContact O-N 3.49Å; I370-Q373 WeakPolarHBondContact O-CB 3.42Å; I370-Q373 PolarHBondContact O-N 3.25Å; Q373-R375 VanDerWaalsContact C-N 3.29Å; Q373-R375 PolarHBondContact O-N 3.24Å; Q373-V376 WeakPolarHBondContact O-CG2 3.49Å; Q373-V376 PolarHBondContact O-N 2.97Å; Q373-L377 WeakPolarHBondContact O-CB 3.44Å; Q373-L377 WeakPolarHBondContact O-CG 3.33Å; Q373-L377 PolarHBondContact O-N 2.87Å |
| 374 | Y | 98.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -38 | 174 | -67 | -45.1 | 0 | 0 | 0 | 113 | Y270 Y301 F347 P349 V352 I370 V376 G378 | Y270-Y374 WeakPolarHBondContact CD1-OH 3.18Å; Y270-Y374 WeakPolarHBondContact CE1-OH 3.07Å; Y301-Y374 AromaticContact CD1-CD1 3.72Å; Y301-Y374 HydrophobicContact CD1-CD1 3.72Å; Y301-Y374 HydrophobicContact CD1-CD2 4.45Å; Y301-Y374 AromaticContact CD1-CE1 3.74Å; Y301-Y374 HydrophobicContact CD1-CE1 3.74Å; Y301-Y374 HydrophobicContact CD1-CE2 4.47Å; Y301-Y374 HydrophobicContact CD1-CG 4.11Å; Y301-Y374 HydrophobicContact CE1-CD1 4.4Å; Y301-Y374 AromaticContact CE1-CE1 3.97Å; Y301-Y374 HydrophobicContact CE1-CE1 3.97Å; Y301-Y374 WeakPolarHBondContact O-CD2 3.44Å; F347-Y374 VanDerWaalsContact O-CE1 3.31Å; F347-Y374 WeakPolarHBondContact O-CE1 3.26Å; F347-Y374 PolarHBondContact O-OH 3.31Å; P349-Y374 HydrophobicContact CB-CD1 4.48Å; P349-Y374 HydrophobicContact CB-CE1 4.3Å; P349-Y374 HydrophobicContact CG-CD1 4.12Å; P349-Y374 HydrophobicContact CG-CE1 3.69Å; V352-Y374 HydrophobicContact CG2-CE1 4.37Å; I370-Y374 HydrophobicContact CG2-CD2 3.94Å; I370-Y374 HydrophobicContact CG2-CE2 3.39Å; I370-Y374 WeakPolarHBondContact O-CD2 3.46Å; I370-Y374 PolarHBondContact O-N 3.26Å; Y374-V376 PolarHBondContact O-N 3.2Å; Y374-G378 PolarHBondContact O-N 2.99Å |
| 375 | R | 97.7 | Very high | 97.3 | Very high | 98 Ų | 98 | 42.3 Ų | 42.3 | 37% | 0.37 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 179.8 | -174.8 | -177.6 | 66.9 | 175.3 | 1.7 | 112.2 | K299 I371 Q372 Q373 N379 | K299-R375 HydrophobicContact CB-CG 4.27Å; I371-R375 VanDerWaalsContact O-CB 3.29Å; I371-R375 WeakPolarHBondContact O-CB 3.46Å; I371-R375 PolarHBondContact O-N 2.84Å; I371-R375 VanDerWaalsContact O-N 3.15Å; Q372-R375 PolarHBondContact O-N 3.15Å; Q373-R375 VanDerWaalsContact C-N 3.29Å; Q373-R375 PolarHBondContact O-N 3.24Å; R375-N379 PolarHBondContact O-N 3.28Å |
| 376 | V | 97.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77 | -39.2 | 179 | -62 | 0 | 0 | 0 | 0 | 112.2 | I13 I42 F364 Q372 Q373 Y374 N379 S380 | I13-V376 HydrophobicContact CD1-CG2 4.28Å; I13-V376 HydrophobicContact CG2-CB 3.72Å; I13-V376 HydrophobicContact CG2-CG1 4.32Å; I13-V376 HydrophobicContact CG2-CG2 3.79Å; I42-V376 HydrophobicContact CD1-CG1 4.27Å; I42-V376 HydrophobicContact CD1-CG2 3.76Å; F364-V376 HydrophobicContact CE1-CG2 4.02Å; Q372-V376 WeakPolarHBondContact O-CG2 3.29Å; Q372-V376 PolarHBondContact O-N 3Å; Q373-V376 WeakPolarHBondContact O-CG2 3.49Å; Q373-V376 PolarHBondContact O-N 2.97Å; Y374-V376 PolarHBondContact O-N 3.2Å; V376-N379 PolarHBondContact O-N 3.19Å; V376-S380 PolarHBondContact O-N 3.15Å; V376-S380 VanDerWaalsContact O-N 3.1Å |
| 377 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 172.9 | -73.3 | 167.1 | 0 | 0 | 0 | 111.2 | I13 P349 V352 A353 M356 F362 F364 Q373 N379 S380 | I13-L377 HydrophobicContact CD1-CD2 4.03Å; P349-L377 HydrophobicContact CB-CD1 4.02Å; P349-L377 WeakPolarHBondContact O-CD1 3.41Å; V352-L377 HydrophobicContact CB-CD1 4.13Å; V352-L377 HydrophobicContact CG1-CB 4.08Å; V352-L377 HydrophobicContact CG1-CD1 4.02Å; A353-L377 HydrophobicContact CB-CD1 4.47Å; A353-L377 HydrophobicContact CB-CD2 3.75Å; M356-L377 HydrophobicContact CE-CB 4.31Å; M356-L377 VanDerWaalsContact CE-O 3.25Å; M356-L377 WeakPolarHBondContact CE-O 3.46Å; M356-L377 HydrophobicContact SD-CB 3.94Å; M356-L377 HydrophobicContact SD-CD2 4.01Å; F362-L377 HydrophobicContact CE1-CD2 4.4Å; F364-L377 HydrophobicContact CE2-CD1 4.38Å; F364-L377 HydrophobicContact CZ-CD1 3.84Å; F364-L377 HydrophobicContact CZ-CD2 4.24Å; F364-L377 HydrophobicContact CZ-CG 3.96Å; Q373-L377 WeakPolarHBondContact O-CB 3.44Å; Q373-L377 WeakPolarHBondContact O-CG 3.33Å; Q373-L377 PolarHBondContact O-N 2.87Å; L377-N379 PolarHBondContact O-N 3.05Å; L377-N379 VanDerWaalsContact O-N 3.11Å; L377-S380 WeakPolarHBondContact O-CB 3.46Å; L377-S380 PolarHBondContact O-N 3.33Å |
| 378 | G | 96.7 | Very high | 97 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 7% | 0.072 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -22.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R160 Y374 | R160-G378 PolarHBondContact NH2-O 3.39Å; Y374-G378 PolarHBondContact O-N 2.99Å |
| 379 | N | 96.3 | Very high | 96.7 | Very high | 99 Ų | 99 | 31.6 Ų | 31.6 | 53% | 0.529 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -89.5 | -12.9 | 171.2 | -78 | -8.3 | 0 | 0 | 0 | 113.9 | K299 R375 V376 L377 | K299-N379 WeakPolarHBondContact CB-OD1 3.4Å; K299-N379 VanDerWaalsContact CD-OD1 3.31Å; K299-N379 WeakPolarHBondContact CD-OD1 3.06Å; R375-N379 PolarHBondContact O-N 3.28Å; V376-N379 PolarHBondContact O-N 3.19Å; L377-N379 PolarHBondContact O-N 3.05Å; L377-N379 VanDerWaalsContact O-N 3.11Å |
| 380 | S | 97.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -80 | 179.5 | -175.8 | -154.1 | 0 | 0 | 0 | 0 | 112.9 | R160 F358 V376 L377 | R160-S380 VanDerWaalsContact CZ-O 3.27Å; R160-S380 PolarHBondContact NE-O 2.88Å; R160-S380 PolarHBondContact NH2-O 3.34Å; F358-S380 WeakPolarHBondContact CZ-OG 3.39Å; V376-S380 PolarHBondContact O-N 3.15Å; V376-S380 VanDerWaalsContact O-N 3.1Å; L377-S380 WeakPolarHBondContact O-CB 3.46Å; L377-S380 PolarHBondContact O-N 3.33Å |
| 381 | L | 97.3 | Very high | 96 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | trans | -100.2 | -178.5 | 177.3 | 57.4 | 78.6 | 0 | 0 | 0 | 111.1 | M16 V383 V386 | M16-L381 HydrophobicContact CE-CD2 3.6Å; M16-L381 HydrophobicContact CG-CD2 3.63Å; M16-L381 HydrophobicContact SD-CD2 3.43Å; M16-L381 WeakPolarHBondContact SD-CD2 3.25Å; L381-V383 HydrophobicContact CD1-CG2 4.29Å; L381-V386 HydrophobicContact CD1-CB 4.37Å; L381-V386 HydrophobicContact CD1-CG2 3.88Å; L381-V386 HydrophobicContact CD2-CG2 4.09Å; L381-V386 HydrophobicContact CG-CG2 4.41Å | ||
| 382 | N | 98.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.032 | 13% | 0.128 | C | C | . | . | trans | -99.3 | 118 | 165.1 | 179 | -78.3 | 0 | 0 | 0 | 109 | P151 L355 M356 L384 V385 V386 | P151-N382 HydrophobicContact CB-CB 4.41Å; P151-N382 HydrophobicContact CG-CB 3.61Å; L355-N382 PolarHBondContact O-ND2 3.36Å; M356-N382 CarbonylContact O-C 3.59Å; M356-N382 WeakPolarHBondContact O-CA 3.45Å; N382-L384 PolarHBondContact O-N 3.2Å; N382-L384 PolarHBondContact OD1-N 2.92Å; N382-V385 HydrophobicContact CB-CB 4.4Å; N382-V385 HydrophobicContact CB-CG2 4.25Å; N382-V385 PolarHBondContact O-N 3.18Å; N382-V385 PolarHBondContact OD1-N 2.97Å; N382-V386 PolarHBondContact O-N 2.67Å | ||
| 383 | V | 98.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | -173.6 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | A19 E22 M356 G357 F358 L381 V386 A387 | A19-V383 HydrophobicContact CB-CG1 4.27Å; A19-V383 WeakPolarHBondContact CB-O 3.47Å; E22-V383 HydrophobicContact CB-CG1 4.34Å; M356-V383 PolarHBondContact O-N 3.07Å; G357-V383 WeakPolarHBondContact O-CB 3.25Å; G357-V383 WeakPolarHBondContact O-CG1 3.29Å; F358-V383 HydrophobicContact CD1-CG2 4.33Å; F358-V383 HydrophobicContact CD2-CG2 3.89Å; F358-V383 HydrophobicContact CE1-CG2 4.36Å; F358-V383 HydrophobicContact CE2-CG2 3.91Å; F358-V383 HydrophobicContact CG-CG2 4.11Å; F358-V383 HydrophobicContact CZ-CG2 4.14Å; L381-V383 HydrophobicContact CD1-CG2 4.29Å; V383-V386 PolarHBondContact O-N 2.98Å; V383-A387 WeakPolarHBondContact O-CB 3.15Å; V383-A387 PolarHBondContact O-N 3.44Å |
| 384 | L | 96.5 | Very high | 92.8 | Very high | 44 Ų | 44 | 25.7 Ų | 25.7 | 23% | 0.23 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | -177.5 | -63.9 | 172.6 | 0 | 0 | 0 | 111.9 | E22 V154 V156 N382 V386 A387 R388 | E22-L384 HydrophobicContact CG-CD2 4.12Å; V154-L384 HydrophobicContact CG2-CB 4.48Å; V156-L384 HydrophobicContact CG2-CD1 3.78Å; N382-L384 PolarHBondContact O-N 3.2Å; N382-L384 PolarHBondContact OD1-N 2.92Å; L384-V386 VanDerWaalsContact C-N 3.33Å; L384-V386 PolarHBondContact O-N 3.36Å; L384-A387 PolarHBondContact O-N 3.42Å; L384-R388 WeakPolarHBondContact O-CG 3.5Å; L384-R388 PolarHBondContact O-N 3.22Å |
| 385 | V | 95.6 | Very high | 91 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.9 | -46.4 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | I149 P151 V154 F164 N382 R388 L389 | I149-V385 HydrophobicContact CB-CG1 4.09Å; I149-V385 HydrophobicContact CG2-CG1 3.63Å; I149-V385 HydrophobicContact CG2-CG2 4.13Å; P151-V385 HydrophobicContact CB-CG2 4.32Å; P151-V385 HydrophobicContact CG-CG2 4.22Å; V154-V385 HydrophobicContact CG2-CG2 3.64Å; F164-V385 HydrophobicContact CE1-CG1 4.34Å; F164-V385 HydrophobicContact CE2-CG1 3.66Å; F164-V385 HydrophobicContact CZ-CG1 3.55Å; N382-V385 HydrophobicContact CB-CB 4.4Å; N382-V385 HydrophobicContact CB-CG2 4.25Å; N382-V385 PolarHBondContact O-N 3.18Å; N382-V385 PolarHBondContact OD1-N 2.97Å; V385-R388 PolarHBondContact O-N 3.03Å; V385-L389 HydrophobicContact CG1-CD1 4.35Å; V385-L389 WeakPolarHBondContact O-CG 3.33Å; V385-L389 PolarHBondContact O-N 2.95Å; V385-L389 VanDerWaalsContact O-N 3.08Å |
| 386 | V | 97.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70 | -38.2 | 179.8 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | M16 A19 L117 F164 L381 N382 V383 L384 R388 L389 L390 | M16-V386 HydrophobicContact SD-CG1 3.69Å; M16-V386 HydrophobicContact SD-CG2 4.4Å; A19-V386 HydrophobicContact CB-CB 3.56Å; A19-V386 HydrophobicContact CB-CG1 3.44Å; A19-V386 VanDerWaalsContact CB-CG1 3.44Å; L117-V386 HydrophobicContact CD1-CG1 4.16Å; L117-V386 HydrophobicContact CD2-CG1 4.12Å; F164-V386 HydrophobicContact CE1-CG2 3.74Å; F164-V386 HydrophobicContact CZ-CG2 4.45Å; L381-V386 HydrophobicContact CD1-CB 4.37Å; L381-V386 HydrophobicContact CD1-CG2 3.88Å; L381-V386 HydrophobicContact CD2-CG2 4.09Å; L381-V386 HydrophobicContact CG-CG2 4.41Å; N382-V386 PolarHBondContact O-N 2.67Å; V383-V386 PolarHBondContact O-N 2.98Å; L384-V386 VanDerWaalsContact C-N 3.33Å; L384-V386 PolarHBondContact O-N 3.36Å; V386-R388 VanDerWaalsContact C-N 3.3Å; V386-R388 PolarHBondContact O-N 3.45Å; V386-L389 PolarHBondContact O-N 3.05Å; V386-L390 HydrophobicContact CG1-CD1 4.03Å; V386-L390 HydrophobicContact CG1-CG 4.28Å; V386-L390 WeakPolarHBondContact O-CB 3.31Å; V386-L390 WeakPolarHBondContact O-CG 3.45Å; V386-L390 PolarHBondContact O-N 2.99Å |
| 387 | A | 95.8 | Very high | 85.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A19 E22 V383 L384 L390 Q391 | A19-A387 HydrophobicContact CB-CB 4.39Å; A19-A387 WeakPolarHBondContact O-CB 3.38Å; E22-A387 HydrophobicContact CB-CB 3.76Å; E22-A387 HydrophobicContact CG-CB 3.59Å; V383-A387 WeakPolarHBondContact O-CB 3.15Å; V383-A387 PolarHBondContact O-N 3.44Å; L384-A387 PolarHBondContact O-N 3.42Å; A387-L390 PolarHBondContact O-N 3.01Å; A387-Q391 WeakPolarHBondContact O-CG 3.4Å; A387-Q391 PolarHBondContact O-N 2.96Å |
| 388 | R | 90.8 | Very high | 82.7 | Confident | 91 Ų | 91 | 37.5 Ų | 37.5 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 173.3 | -67.1 | -50 | -176.9 | -167.9 | -0.8 | 112.8 | V154 Y186 L384 V385 V386 Q391 L392 | V154-R388 HydrophobicContact CG1-CG 4.3Å; Y186-R388 HydrophobicContact CE2-CB 4.21Å; L384-R388 WeakPolarHBondContact O-CG 3.5Å; L384-R388 PolarHBondContact O-N 3.22Å; V385-R388 PolarHBondContact O-N 3.03Å; V386-R388 VanDerWaalsContact C-N 3.3Å; V386-R388 PolarHBondContact O-N 3.45Å; R388-Q391 VanDerWaalsContact CD-OE1 3.27Å; R388-Q391 PolarHBondContact O-N 3.46Å; R388-L392 WeakPolarHBondContact O-CG 3.47Å; R388-L392 PolarHBondContact O-N 2.95Å; R388-L392 VanDerWaalsContact O-N 3.11Å |
| 389 | L | 90.6 | Very high | 79.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 173.7 | -72.9 | 172.1 | 0 | 0 | 0 | 112.1 | L117 I149 F164 F189 V385 V386 L392 M393 | L117-L389 HydrophobicContact CD1-CB 4.11Å; I149-L389 HydrophobicContact CD1-CD1 4.24Å; I149-L389 HydrophobicContact CD1-CD2 3.76Å; I149-L389 HydrophobicContact CD1-CG 4.23Å; F164-L389 HydrophobicContact CB-CD1 3.75Å; F164-L389 HydrophobicContact CD1-CD1 3.48Å; F164-L389 VanDerWaalsContact CD1-CD1 3.48Å; F164-L389 HydrophobicContact CD2-CD1 3.98Å; F164-L389 HydrophobicContact CE1-CD1 4.01Å; F164-L389 HydrophobicContact CE2-CD1 4.45Å; F164-L389 HydrophobicContact CG-CD1 3.46Å; F164-L389 VanDerWaalsContact CG-CD1 3.46Å; F164-L389 HydrophobicContact CZ-CD1 4.46Å; F189-L389 HydrophobicContact CD1-CD2 4.29Å; F189-L389 HydrophobicContact CE1-CD2 3.45Å; F189-L389 VanDerWaalsContact CE1-CD2 3.45Å; F189-L389 HydrophobicContact CZ-CD2 3.66Å; V385-L389 HydrophobicContact CG1-CD1 4.35Å; V385-L389 WeakPolarHBondContact O-CG 3.33Å; V385-L389 PolarHBondContact O-N 2.95Å; V385-L389 VanDerWaalsContact O-N 3.08Å; V386-L389 PolarHBondContact O-N 3.05Å; L389-L392 PolarHBondContact O-N 2.9Å; L389-M393 WeakPolarHBondContact O-CG 3.5Å; L389-M393 PolarHBondContact O-N 3.42Å; L389-M393 VanDerWaalsContact O-N 3.11Å |
| 390 | L | 91.8 | Very high | 76.5 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.8 | -74.3 | 171.4 | 0 | 0 | 0 | 111.6 | A19 L20 I25 M72 M74 L117 V386 A387 L392 M393 S394 | A19-L390 HydrophobicContact CB-CD1 4.21Å; L20-L390 HydrophobicContact CB-CD1 4.39Å; L20-L390 HydrophobicContact CD1-CD1 4.21Å; I25-L390 HydrophobicContact CD1-CB 3.78Å; I25-L390 WeakPolarHBondContact CD1-O 3.36Å; M72-L390 HydrophobicContact CE-CD2 4.25Å; M72-L390 HydrophobicContact SD-CD2 3.96Å; M74-L390 HydrophobicContact SD-CD1 4.11Å; M74-L390 HydrophobicContact SD-CD2 4.19Å; L117-L390 HydrophobicContact CD1-CD2 3.84Å; L117-L390 HydrophobicContact CD1-CG 4Å; V386-L390 HydrophobicContact CG1-CD1 4.03Å; V386-L390 HydrophobicContact CG1-CG 4.28Å; V386-L390 WeakPolarHBondContact O-CB 3.31Å; V386-L390 WeakPolarHBondContact O-CG 3.45Å; V386-L390 PolarHBondContact O-N 2.99Å; A387-L390 PolarHBondContact O-N 3.01Å; L390-L392 VanDerWaalsContact C-N 3.32Å; L390-L392 PolarHBondContact O-N 3.39Å; L390-M393 HydrophobicContact CD2-SD 4.22Å; L390-M393 WeakPolarHBondContact O-CB 3.14Å; L390-M393 PolarHBondContact O-N 2.92Å; L390-S394 PolarHBondContact O-N 3.38Å; L390-S394 PolarHBondContact O-OG 3.35Å |
| 391 | Q | 87.3 | Confident | 73.3 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.3 | -47 | 174.8 | -77.8 | 168.4 | -8.2 | 0 | 0 | 111.5 | S23 A387 R388 M393 S394 S395 | S23-Q391 VanDerWaalsContact O-CG 3.28Å; S23-Q391 WeakPolarHBondContact O-CG 3.13Å; S23-Q391 PolarHBondContact O-NE2 3.33Å; A387-Q391 WeakPolarHBondContact O-CG 3.4Å; A387-Q391 PolarHBondContact O-N 2.96Å; R388-Q391 VanDerWaalsContact CD-OE1 3.27Å; R388-Q391 PolarHBondContact O-N 3.46Å; Q391-M393 VanDerWaalsContact C-N 3.27Å; Q391-M393 PolarHBondContact O-N 3.17Å; Q391-S394 WeakPolarHBondContact CA-OG 3.48Å; Q391-S394 PolarHBondContact O-N 2.69Å; Q391-S394 VanDerWaalsContact O-N 3.11Å; Q391-S394 PolarHBondContact O-OG 3.21Å; Q391-S395 PolarHBondContact O-N 3.14Å |
| 392 | L | 81.1 | Confident | 70 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -25.9 | 175.8 | -67.2 | 169.9 | 0 | 0 | 0 | 114 | Y186 F189 R388 L389 L390 F398 | Y186-L392 HydrophobicContact CE2-CD1 4.19Å; F189-L392 HydrophobicContact CD1-CD1 4.02Å; F189-L392 HydrophobicContact CE1-CD1 3.72Å; R388-L392 WeakPolarHBondContact O-CG 3.47Å; R388-L392 PolarHBondContact O-N 2.95Å; R388-L392 VanDerWaalsContact O-N 3.11Å; L389-L392 PolarHBondContact O-N 2.9Å; L390-L392 VanDerWaalsContact C-N 3.32Å; L390-L392 PolarHBondContact O-N 3.39Å; L392-F398 WeakPolarHBondContact O-CD2 3.19Å |
| 393 | M | 78.3 | Confident | 66.8 | Low | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -77.4 | -29.9 | 173.3 | -68.2 | 170 | 68.7 | 0 | 0 | 113.2 | M72 Y115 L117 V166 L389 L390 Q391 | M72-M393 HydrophobicContact CE-CE 4.21Å; Y115-M393 HydrophobicContact CD1-CE 3.79Å; Y115-M393 HydrophobicContact CG-CE 4.13Å; L117-M393 HydrophobicContact CB-CE 4.4Å; L117-M393 HydrophobicContact CB-SD 4.22Å; L117-M393 HydrophobicContact CD1-SD 3.87Å; V166-M393 HydrophobicContact CB-CG 4.47Å; V166-M393 HydrophobicContact CB-SD 4.34Å; V166-M393 HydrophobicContact CG1-CE 4.05Å; V166-M393 HydrophobicContact CG1-CG 3.41Å; V166-M393 VanDerWaalsContact CG1-CG 3.41Å; V166-M393 HydrophobicContact CG1-SD 3.69Å; V166-M393 HydrophobicContact CG2-CG 4.21Å; V166-M393 HydrophobicContact CG2-SD 3.82Å; L389-M393 WeakPolarHBondContact O-CG 3.5Å; L389-M393 PolarHBondContact O-N 3.42Å; L389-M393 VanDerWaalsContact O-N 3.11Å; L390-M393 HydrophobicContact CD2-SD 4.22Å; L390-M393 WeakPolarHBondContact O-CB 3.14Å; L390-M393 PolarHBondContact O-N 2.92Å; Q391-M393 VanDerWaalsContact C-N 3.27Å; Q391-M393 PolarHBondContact O-N 3.17Å |
| 394 | S | 66.9 | Low | 63.8 | Low | 52 Ų | 52 | 62 Ų | 62 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -93.9 | -18.5 | -169.3 | 67.2 | 0 | 0 | 0 | 0 | 115.5 | L390 Q391 E396 | L390-S394 PolarHBondContact O-N 3.38Å; L390-S394 PolarHBondContact O-OG 3.35Å; Q391-S394 WeakPolarHBondContact CA-OG 3.48Å; Q391-S394 PolarHBondContact O-N 2.69Å; Q391-S394 VanDerWaalsContact O-N 3.11Å; Q391-S394 PolarHBondContact O-OG 3.21Å; S394-E396 PolarHBondContact O-N 3.4Å |
| 395 | S | 60 | Low | 60.5 | Low | 54 Ų | 54 | 65 Ų | 65 | 38% | 0.378 | 37% | 0.369 | S | S | . | . | trans | -61.7 | 129.2 | 179.9 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | Q391 H397 F398 | Q391-S395 PolarHBondContact O-N 3.14Å; S395-H397 PolarHBondContact O-N 3.16Å; S395-F398 WeakPolarHBondContact O-CB 3.39Å; S395-F398 PolarHBondContact O-N 3.07Å | ||
| 396 | E | 41.3 | Very low | 57.2 | Low | 148 Ų | 148 | 70.8 Ų | 70.8 | 69% | 0.692 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.2 | -176.3 | -65.2 | -173.5 | 139.3 | 0 | 0 | 113.5 | M1 S394 F398 | M1-E396 WeakPolarHBondContact CE-OE1 3.24Å; S394-E396 PolarHBondContact O-N 3.4Å; E396-F398 PolarHBondContact O-N 3.46Å |
| 397 | H | 40.8 | Very low | 54.2 | Low | 118 Ų | 118 | 75.9 Ų | 75.9 | 55% | 0.546 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -0.8 | 175.7 | -58.2 | 2.8 | 0 | 0 | 0 | 113.5 | S395 G399 H400 S401 | S395-H397 PolarHBondContact O-N 3.16Å; H397-G399 PolarHBondContact O-N 3.36Å; H397-H400 PolarHBondContact ND1-O 3.07Å; H397-S401 PolarHBondContact CD2-OG 2.93Å; H397-S401 VanDerWaalsContact CD2-OG 3.22Å; H397-S401 VanDerWaalsContact CE1-CB 3.45Å; H397-S401 WeakPolarHBondContact CE1-CB 3.47Å; H397-S401 PolarHBondContact CE1-OG 3.31Å; H397-S401 PolarHBondContact ND1-OG 2.89Å; H397-S401 PolarHBondContact NE2-OG 3.36Å |
| 398 | F | 36.9 | Very low | 50.9 | Low | 41 Ų | 41 | 82.3 Ų | 82.3 | 18% | 0.18 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 47.5 | 162.5 | -135.5 | -69.2 | 0 | 0 | 0 | 111.3 | K168 V193 Y197 L392 S395 E396 | K168-F398 HydrophobicContact CD-CD1 3.49Å; K168-F398 VanDerWaalsContact CD-CD1 3.49Å; K168-F398 HydrophobicContact CD-CE1 3.67Å; K168-F398 HydrophobicContact CD-CG 4.25Å; K168-F398 PolarHBondContact NZ-O 3.36Å; V193-F398 HydrophobicContact CG1-CE2 4.08Å; Y197-F398 HydrophobicContact CE2-CD1 4.21Å; Y197-F398 HydrophobicContact CE2-CE1 4.22Å; Y197-F398 AromaticContact CZ-CD1 3.91Å; Y197-F398 WeakPolarHBondContact OH-CD1 3.48Å; Y197-F398 VanDerWaalsContact OH-CE1 3.27Å; Y197-F398 WeakPolarHBondContact OH-CE1 3.46Å; L392-F398 WeakPolarHBondContact O-CD2 3.19Å; S395-F398 WeakPolarHBondContact O-CB 3.39Å; S395-F398 PolarHBondContact O-N 3.07Å; E396-F398 PolarHBondContact O-N 3.46Å |
| 399 | G | 33.2 | Very low | 47.9 | Very low | 44 Ų | 44 | 82.2 Ų | 82.2 | 45% | 0.454 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 166.8 | -57.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H397 | H397-G399 PolarHBondContact O-N 3.36Š|
| 400 | H | 30.3 | Very low | 44.9 | Very low | 170 Ų | 170 | 90.1 Ų | 90.1 | 79% | 0.787 | 51% | 0.508 | S | S | * | . | trans | -151.2 | 135.2 | -175 | -93.4 | 17 | 0 | 0 | 0 | 113.5 | H397 | H397-H400 PolarHBondContact ND1-O 3.07Š| ||
| 401 | S | 29.8 | Very low | 42 | Very low | 69 Ų | 69 | 96 Ų | 96 | 48% | 0.483 | 54% | 0.539 | S | S | . | . | trans | -169.1 | 138 | 136.5 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | H397 | H397-S401 PolarHBondContact CD2-OG 2.93Å; H397-S401 VanDerWaalsContact CD2-OG 3.22Å; H397-S401 VanDerWaalsContact CE1-CB 3.45Å; H397-S401 WeakPolarHBondContact CE1-CB 3.47Å; H397-S401 PolarHBondContact CE1-OG 3.31Å; H397-S401 PolarHBondContact ND1-OG 2.89Å; H397-S401 PolarHBondContact NE2-OG 3.36Å | ||
| 402 | E | 29.7 | Very low | 39.2 | Very low | 157 Ų | 157 | 97.3 Ų | 97.3 | 73% | 0.734 | 55% | 0.552 | S | S | * | * | trans | -84 | 132.8 | 155.6 | -59.2 | -170.5 | 134.4 | 0 | 0 | 108.3 | R201 | R201-E402 IonicContact CZ-OE1 2.81Å; R201-E402 IonicContact NH1-OE1 3.55Å; R201-E402 PolarHBondContact NH1-OE1 2.89Å; R201-E402 IonicContact NH2-OE1 3.54Å; R201-E402 PolarHBondContact NH2-OE1 3.42Å | ||
| 403 | G | 30.2 | Very low | 36.6 | Very low | 62 Ų | 62 | 100.3 Ų | 100.3 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | trans | 141.4 | 103.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | C405 | G403-C405 PolarHBondContact O-N 2.9Š| ||
| 404 | V | 34.8 | Very low | 34.2 | Very low | 147 Ų | 147 | 102.9 Ų | 102.9 | 89% | 0.891 | 59% | 0.59 | S | S | * | * | trans | -63.3 | 118.9 | 170.8 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 405 | C | 27.6 | Very low | 32.5 | Very low | 107 Ų | 107 | 105.1 Ų | 105.1 | 72% | 0.723 | 60% | 0.597 | S | S | * | * | trans | -127.8 | 117.9 | 169.7 | -147.3 | 0 | 0 | 0 | 0 | 109.6 | G403 T407 | G403-C405 PolarHBondContact O-N 2.9Å; C405-T407 PolarHBondContact O-N 3.11Å | ||
| 406 | N | 26.9 | Very low | 31 | Very low | 122 Ų | 122 | 110.5 Ų | 110.5 | 65% | 0.652 | 61% | 0.613 | S | S | * | * | trans | -65 | 117.7 | -174.7 | -81.7 | -35.6 | 0 | 0 | 0 | 111.4 | N408 | N406-N408 PolarHBondContact O-N 3.46Å; N406-N408 VanDerWaalsContact O-N 3.07Å | ||
| 407 | T | 33.3 | Very low | 30.3 | Very low | 107 Ų | 107 | 111.2 Ų | 111.2 | 66% | 0.656 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -7 | -179.1 | 40.6 | 0 | 0 | 0 | 0 | 115.1 | C405 V409 | C405-T407 PolarHBondContact O-N 3.11Å; T407-V409 VanDerWaalsContact C-N 3.35Å; T407-V409 PolarHBondContact O-N 2.9Å |
| 408 | N | 27.4 | Very low | 29.8 | Very low | 137 Ų | 137 | 112 Ų | 112 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -3.2 | -179.1 | -79.4 | -26 | 0 | 0 | 0 | 115.7 | N406 | N406-N408 PolarHBondContact O-N 3.46Å; N406-N408 VanDerWaalsContact O-N 3.07Å |
| 409 | V | 27.5 | Very low | 29.4 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 54% | 0.539 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -96 | -25.6 | -174.1 | -175.6 | 0 | 0 | 0 | 0 | 113.6 | T407 L411 | T407-V409 VanDerWaalsContact C-N 3.35Å; T407-V409 PolarHBondContact O-N 2.9Å; V409-L411 PolarHBondContact O-N 3.36Å |
| 410 | F | 28.1 | Very low | 29.1 | Very low | 167 Ų | 167 | 124 Ų | 124 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -82.2 | -6.5 | -174.1 | -75.2 | -78.3 | 0 | 0 | 0 | 115.5 | ||
| 411 | L | 31.7 | Very low | 29.1 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -84.7 | -15.8 | -175 | -92.4 | 156.3 | 0 | 0 | 0 | 114.9 | V409 | V409-L411 PolarHBondContact O-N 3.36Å |
| 412 | T | 28.1 | Very low | 29 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 54% | 0.54 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -104.2 | -29.3 | -175.2 | 50.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 413 | D | 25 | Very low | 29 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 53% | 0.529 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -98.5 | -35.1 | -162 | -63.5 | -4.8 | 0 | 0 | 0 | 112.5 | I415 K416 | D413-I415 PolarHBondContact O-N 3.13Å; D413-K416 PolarHBondContact O-N 2.88Å |
| 414 | A | 28.1 | Very low | 28.9 | Very low | 60 Ų | 60 | 126.2 Ų | 126.2 | 50% | 0.496 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.2 | -4.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 415 | I | 32.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.8 | -11.3 | -179.3 | -62.4 | 179.1 | 0 | 0 | 0 | 111.8 | D413 | D413-I415 PolarHBondContact O-N 3.13Š|
| 416 | K | 28 | Very low | 28.6 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -21.6 | -178.6 | -78.4 | 179.9 | 177.8 | 171.8 | 0 | 115.5 | D413 | D413-K416 PolarHBondContact O-N 2.88Š|
| 417 | E | 26.8 | Very low | 28.8 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -1.9 | -171.8 | -65.4 | -168.3 | 145.2 | 0 | 0 | 115.2 | ||
| 418 | N | 29.3 | Very low | 28.4 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 15.4 | 179.9 | -91.5 | -25.3 | 0 | 0 | 0 | 114.6 | ||
| 419 | L | 29.7 | Very low | 28.5 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | trans | -137.3 | 30.5 | 177 | -76.1 | 175.4 | 0 | 0 | 0 | 113.4 | ||||
| 420 | S | 27.4 | Very low | 28.6 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 100% | 1.203 | 70% | 0.702 | S | S | * | * | trans | -108.5 | 0 | 169.8 | 63.8 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 420 of 420 residues in 290.7 ms
(Link to these results)