| 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 | 93.1 | Very high | 94.5 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 39% | 0.394 | 28% | 0.278 | S | S | . | . | 0 | 135.4 | 0 | 173.3 | 167 | 59.9 | 0 | 0 | 109 | I3 I24 G26 V27 S28 V114 A118 | M1-I3 HydrophobicContact CE-CD1 4.5Å; M1-I3 HydrophobicContact CG-CG1 4.47Å; M1-I24 HydrophobicContact CE-CD1 4.33Å; M1-I24 HydrophobicContact CE-CG2 3.8Å; M1-G26 PolarHBondContact N-O 3.06Å; M1-V27 HydrophobicContact CE-CB 4.46Å; M1-V27 HydrophobicContact CE-CG2 3.89Å; M1-V27 WeakPolarHBondContact O-CA 3.47Å; M1-S28 PolarHBondContact O-N 3.26Å; M1-V114 HydrophobicContact CE-CG1 3.47Å; M1-V114 VanDerWaalsContact CE-CG1 3.47Å; M1-V114 HydrophobicContact SD-CG1 4.29Å; M1-A118 HydrophobicContact SD-CB 3.37Å; M1-A118 WeakPolarHBondContact SD-CB 3.3Å | |||
| 2 | Q | 96.4 | Very high | 94.4 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 138.5 | 173.2 | -65.7 | -64.8 | -12.2 | 0 | 0 | 110.3 | S28 Y45 A48 L49 | Q2-S28 WeakPolarHBondContact CA-O 3.28Å; Q2-S28 PolarHBondContact OE1-O 3.41Å; Q2-S28 PolarHBondContact OE1-OG 3.34Å; Q2-Y45 HydrophobicContact CG-CD1 3.86Å; Q2-Y45 HydrophobicContact CG-CE1 4.39Å; Q2-Y45 HydrophobicContact CG-CG 4.25Å; Q2-A48 HydrophobicContact CB-CB 4.15Å; Q2-L49 PolarHBondContact O-N 3.44Å; Q2-L49 VanDerWaalsContact O-N 3.1Å |
| 3 | I | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.5 | 170.4 | -53.9 | -178.6 | 0 | 0 | 0 | 108.3 | M1 M5 V27 S28 I29 Q30 L49 M51 V114 | M1-I3 HydrophobicContact CE-CD1 4.5Å; M1-I3 HydrophobicContact CG-CG1 4.47Å; I3-M5 HydrophobicContact CG2-CG 4.18Å; I3-V27 HydrophobicContact CD1-CG2 3.5Å; I3-V27 HydrophobicContact CG1-CG2 3.82Å; I3-S28 PolarHBondContact N-O 3.3Å; I3-I29 HydrophobicContact CB-CG1 4.17Å; I3-I29 HydrophobicContact CD1-CD1 4.34Å; I3-I29 HydrophobicContact CD1-CG1 4.28Å; I3-I29 HydrophobicContact CG1-CG1 4.5Å; I3-I29 WeakPolarHBondContact O-CA 3.4Å; I3-Q30 PolarHBondContact O-N 3.36Å; I3-L49 VanDerWaalsContact CA-O 3.23Å; I3-L49 WeakPolarHBondContact CA-O 3.49Å; I3-L49 HydrophobicContact CD1-CD2 4.48Å; I3-L49 HydrophobicContact CG1-CB 4.4Å; I3-L49 WeakPolarHBondContact CG2-O 3.29Å; I3-M51 HydrophobicContact CG2-CB 4.06Å; I3-M51 HydrophobicContact CG2-CE 4.25Å; I3-V114 HydrophobicContact CD1-CG1 3.57Å; I3-V114 HydrophobicContact CD1-CG2 4.18Å |
| 4 | V | 97.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 109 | 168.6 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | Q30 L38 K41 L42 A48 L49 V50 M51 | V4-Q30 CarbonylContact C-O 3.32Å; V4-Q30 WeakPolarHBondContact CA-O 3.48Å; V4-L38 HydrophobicContact CB-CD1 4.27Å; V4-L38 HydrophobicContact CG1-CD1 3.54Å; V4-K41 HydrophobicContact CG1-CB 3.85Å; V4-K41 HydrophobicContact CG1-CD 3.79Å; V4-K41 HydrophobicContact CG1-CG 4.45Å; V4-K41 HydrophobicContact CG2-CB 3.92Å; V4-L42 HydrophobicContact CB-CD2 4.27Å; V4-L42 HydrophobicContact CG2-CD2 4.07Å; V4-A48 HydrophobicContact CG2-CB 3.91Å; V4-L49 PolarHBondContact N-O 3.36Å; V4-V50 WeakPolarHBondContact O-CA 3.35Å; V4-M51 PolarHBondContact O-N 2.99Å |
| 5 | M | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.1 | 174.9 | -69.6 | -175.5 | 72.6 | 0 | 0 | 110 | I3 F12 I13 M16 I29 Q30 G31 A32 M51 | I3-M5 HydrophobicContact CG2-CG 4.18Å; M5-F12 HydrophobicContact CE-CD1 3.88Å; M5-F12 HydrophobicContact CE-CE1 3.92Å; M5-I13 HydrophobicContact CB-CG1 4.28Å; M5-I13 HydrophobicContact CE-CG1 4.43Å; M5-M16 HydrophobicContact CE-CB 3.55Å; M5-M16 HydrophobicContact CE-CG 3.73Å; M5-M16 HydrophobicContact SD-CB 3.68Å; M5-I29 HydrophobicContact CG-CG2 3.85Å; M5-I29 HydrophobicContact SD-CG2 3.66Å; M5-Q30 PolarHBondContact N-O 3.01Å; M5-G31 CarbonylContact O-C 3.54Å; M5-G31 WeakPolarHBondContact O-CA 3.33Å; M5-A32 PolarHBondContact O-N 3.37Å; M5-M51 CarbonylContact C-O 3.59Å; M5-M51 WeakPolarHBondContact CA-O 3.41Å; M5-M51 HydrophobicContact CE-SD 3.83Å; M5-M51 HydrophobicContact CG-CB 4.01Å; M5-M51 HydrophobicContact CG-CG 4.31Å; M5-M51 HydrophobicContact CG-SD 4.07Å; M5-M51 HydrophobicContact SD-SD 4.27Å |
| 6 | F | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.2 | 165.2 | -176.5 | -83.2 | 0 | 0 | 0 | 109.7 | A32 L38 M51 L52 D53 F60 L64 | F6-A32 WeakPolarHBondContact CA-O 3.09Å; F6-A32 HydrophobicContact CD2-CB 4.19Å; F6-L38 HydrophobicContact CB-CD2 4.34Å; F6-L38 HydrophobicContact CD2-CB 4.16Å; F6-L38 HydrophobicContact CD2-CD2 4.17Å; F6-L38 HydrophobicContact CG-CD2 4.48Å; F6-M51 PolarHBondContact N-O 2.96Å; F6-L52 HydrophobicContact CB-CD2 3.63Å; F6-L52 HydrophobicContact CG-CD2 4.34Å; F6-D53 WeakPolarHBondContact O-CB 3.49Å; F6-D53 PolarHBondContact O-N 3.37Å; F6-F60 AromaticContact CE1-CE1 3.63Å; F6-F60 HydrophobicContact CE1-CE1 3.63Å; F6-F60 HydrophobicContact CE1-CZ 4.3Å; F6-F60 AromaticContact CZ-CE1 3.59Å; F6-F60 HydrophobicContact CZ-CE1 3.59Å; F6-F60 AromaticContact CZ-CZ 3.8Å; F6-F60 HydrophobicContact CZ-CZ 3.8Å; F6-L64 HydrophobicContact CD1-CD1 3.72Å; F6-L64 HydrophobicContact CD2-CD1 4.41Å; F6-L64 HydrophobicContact CE1-CD1 3.76Å; F6-L64 HydrophobicContact CE2-CD1 4.4Å; F6-L64 HydrophobicContact CG-CD1 4.09Å; F6-L64 HydrophobicContact CZ-CD1 4.11Å |
| 7 | D | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -156 | 138.2 | 174.9 | -162.6 | -46.6 | 0 | 0 | 0 | 109.2 | Q9 F12 I13 A32 D53 R103 | D7-Q9 PolarHBondContact O-N 2.8Å; D7-Q9 WeakPolarHBondContact OD1-CA 3.22Å; D7-Q9 VanDerWaalsContact OD1-CB 3.31Å; D7-Q9 WeakPolarHBondContact OD1-CB 3.49Å; D7-Q9 PolarHBondContact OD1-N 3.2Å; D7-F12 WeakPolarHBondContact OD2-CD1 3.18Å; D7-I13 HydrophobicContact CB-CD1 4.03Å; D7-I13 HydrophobicContact CB-CG1 3.84Å; D7-I13 WeakPolarHBondContact O-CD1 3.26Å; D7-A32 PolarHBondContact N-O 3.48Å; D7-D53 HydrophobicContact CB-CB 4.28Å; D7-R103 IonicContact OD2-CZ 3.61Å; D7-R103 VanDerWaalsContact OD2-CZ 3.26Å; D7-R103 IonicContact OD2-NH1 2.7Å; D7-R103 PolarHBondContact OD2-NH1 3.44Å; D7-R103 IonicContact OD2-NH2 3.41Å; D7-R103 PolarHBondContact OD2-NH2 3.01Å | ||
| 8 | R | 91 | Very high | 94.7 | Very high | 147 Ų | 147 | 54.9 Ų | 54.9 | 56% | 0.555 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -74.1 | -18.4 | 175.9 | -76.9 | 176 | -161.2 | -177.1 | 10.2 | 111.8 | S10 Q56 | R8-S10 PolarHBondContact O-N 2.92Å; R8-Q56 VanDerWaalsContact CZ-OE1 3.26Å |
| 9 | Q | 90.4 | Very high | 94.8 | Very high | 111 Ų | 111 | 53.7 Ų | 53.7 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | trans | -89.1 | 93.1 | 176.3 | -53.7 | -172 | 29.3 | 0 | 0 | 110.2 | D7 I11 F12 I13 | D7-Q9 PolarHBondContact O-N 2.8Å; D7-Q9 WeakPolarHBondContact OD1-CA 3.22Å; D7-Q9 VanDerWaalsContact OD1-CB 3.31Å; D7-Q9 WeakPolarHBondContact OD1-CB 3.49Å; D7-Q9 PolarHBondContact OD1-N 3.2Å; Q9-I11 HydrophobicContact CB-CG2 4.46Å; Q9-I11 PolarHBondContact O-N 3.12Å; Q9-I11 VanDerWaalsContact O-N 3.07Å; Q9-F12 HydrophobicContact CB-CB 4.08Å; Q9-F12 WeakPolarHBondContact O-CB 3.49Å; Q9-F12 PolarHBondContact O-N 3.35Å; Q9-I13 PolarHBondContact O-N 3.28Å | ||
| 10 | S | 90.7 | Very high | 94.9 | Very high | 94 Ų | 94 | 51 Ų | 51 | 66% | 0.657 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -54.1 | -30 | 178.3 | 59.6 | 0 | 0 | 0 | 0 | 114 | R8 H14 | R8-S10 PolarHBondContact O-N 2.92Å; S10-H14 WeakPolarHBondContact O-CB 3.29Å; S10-H14 PolarHBondContact O-N 2.87Å |
| 11 | I | 93.8 | Very high | 94.9 | Very high | 119 Ų | 119 | 52.6 Ų | 52.6 | 61% | 0.61 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -67.4 | -35.1 | 175 | -170 | 59.2 | 0 | 0 | 0 | 112.9 | Q9 H14 G15 | Q9-I11 HydrophobicContact CB-CG2 4.46Å; Q9-I11 PolarHBondContact O-N 3.12Å; Q9-I11 VanDerWaalsContact O-N 3.07Å; I11-H14 PolarHBondContact O-N 2.97Å; I11-G15 PolarHBondContact O-N 3.28Å |
| 12 | F | 92.6 | Very high | 95 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68 | -46.1 | 177.4 | -171.5 | -95.9 | 0 | 0 | 0 | 110.4 | M5 D7 Q9 H14 G15 M16 R103 F110 | M5-F12 HydrophobicContact CE-CD1 3.88Å; M5-F12 HydrophobicContact CE-CE1 3.92Å; D7-F12 WeakPolarHBondContact OD2-CD1 3.18Å; Q9-F12 HydrophobicContact CB-CB 4.08Å; Q9-F12 WeakPolarHBondContact O-CB 3.49Å; Q9-F12 PolarHBondContact O-N 3.35Å; F12-H14 VanDerWaalsContact C-N 3.31Å; F12-H14 PolarHBondContact O-N 3.46Å; F12-G15 PolarHBondContact O-N 3.05Å; F12-M16 HydrophobicContact CD1-CG 3.93Å; F12-M16 HydrophobicContact CE1-CG 3.59Å; F12-M16 HydrophobicContact CE1-SD 4.47Å; F12-M16 HydrophobicContact CE2-CG 4.33Å; F12-M16 HydrophobicContact CG-CG 4.44Å; F12-M16 HydrophobicContact CZ-CG 3.81Å; F12-M16 HydrophobicContact CZ-SD 4.14Å; F12-M16 VanDerWaalsContact O-CB 3.31Å; F12-M16 WeakPolarHBondContact O-CB 3.33Å; F12-M16 VanDerWaalsContact O-CG 3.3Å; F12-M16 WeakPolarHBondContact O-CG 3.36Å; F12-M16 PolarHBondContact O-N 2.83Å; F12-R103 VanDerWaalsContact CZ-NH1 3.3Å; F12-F110 HydrophobicContact CZ-CZ 4.28Å |
| 13 | I | 95 | Very high | 94.9 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.7 | -48 | 171.3 | -66.6 | 170.7 | 0 | 0 | 0 | 110.9 | M5 D7 Q9 K17 | M5-I13 HydrophobicContact CB-CG1 4.28Å; M5-I13 HydrophobicContact CE-CG1 4.43Å; D7-I13 HydrophobicContact CB-CD1 4.03Å; D7-I13 HydrophobicContact CB-CG1 3.84Å; D7-I13 WeakPolarHBondContact O-CD1 3.26Å; Q9-I13 PolarHBondContact O-N 3.28Å; I13-K17 VanDerWaalsContact O-CB 3.24Å; I13-K17 WeakPolarHBondContact O-CB 3.48Å; I13-K17 PolarHBondContact O-N 3.05Å |
| 14 | H | 95.7 | Very high | 94.8 | Very high | 112 Ų | 112 | 60.3 Ų | 60.3 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | -177.6 | -171.4 | 77.6 | 0 | 0 | 0 | 112.3 | S10 I11 F12 K17 I18 | S10-H14 WeakPolarHBondContact O-CB 3.29Å; S10-H14 PolarHBondContact O-N 2.87Å; I11-H14 PolarHBondContact O-N 2.97Å; F12-H14 VanDerWaalsContact C-N 3.31Å; F12-H14 PolarHBondContact O-N 3.46Å; H14-K17 PolarHBondContact O-N 3Å; H14-I18 WeakPolarHBondContact NE2-CD1 3.5Å; H14-I18 PolarHBondContact O-N 3.2Å; H14-I18 VanDerWaalsContact O-N 3.13Å |
| 15 | G | 95.1 | Very high | 94.5 | Very high | 29 Ų | 29 | 66.2 Ų | 66.2 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I11 F12 K17 I18 S19 | I11-G15 PolarHBondContact O-N 3.28Å; F12-G15 PolarHBondContact O-N 3.05Å; G15-K17 VanDerWaalsContact C-N 3.35Å; G15-K17 PolarHBondContact O-N 3.22Å; G15-I18 PolarHBondContact O-N 3.36Å; G15-S19 VanDerWaalsContact O-CB 3.26Å; G15-S19 WeakPolarHBondContact O-CB 3.4Å; G15-S19 PolarHBondContact O-N 2.68Å; G15-S19 PolarHBondContact O-OG 2.88Å |
| 16 | M | 95.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 69.2 Ų | 69.2 | 6% | 0.064 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.5 | -72.2 | -54.2 | -64.1 | 0 | 0 | 112.5 | M5 F12 S19 L20 F110 | M5-M16 HydrophobicContact CE-CB 3.55Å; M5-M16 HydrophobicContact CE-CG 3.73Å; M5-M16 HydrophobicContact SD-CB 3.68Å; F12-M16 HydrophobicContact CD1-CG 3.93Å; F12-M16 HydrophobicContact CE1-CG 3.59Å; F12-M16 HydrophobicContact CE1-SD 4.47Å; F12-M16 HydrophobicContact CE2-CG 4.33Å; F12-M16 HydrophobicContact CG-CG 4.44Å; F12-M16 HydrophobicContact CZ-CG 3.81Å; F12-M16 HydrophobicContact CZ-SD 4.14Å; F12-M16 VanDerWaalsContact O-CB 3.31Å; F12-M16 WeakPolarHBondContact O-CB 3.33Å; F12-M16 VanDerWaalsContact O-CG 3.3Å; F12-M16 WeakPolarHBondContact O-CG 3.36Å; F12-M16 PolarHBondContact O-N 2.83Å; M16-S19 PolarHBondContact O-N 3.41Å; M16-L20 HydrophobicContact CE-CD1 3.71Å; M16-L20 HydrophobicContact CE-CD2 4.36Å; M16-L20 HydrophobicContact CE-CG 3.89Å; M16-L20 VanDerWaalsContact O-CB 3.27Å; M16-L20 WeakPolarHBondContact O-CB 3.31Å; M16-L20 WeakPolarHBondContact O-CG 3.47Å; M16-L20 PolarHBondContact O-N 2.83Å; M16-F110 HydrophobicContact CE-CB 3.82Å; M16-F110 HydrophobicContact CE-CD1 3.41Å; M16-F110 VanDerWaalsContact CE-CD1 3.41Å; M16-F110 HydrophobicContact CE-CD2 4.1Å; M16-F110 HydrophobicContact CE-CE1 3.93Å; M16-F110 HydrophobicContact CE-CG 3.51Å; M16-F110 HydrophobicContact CE-CZ 4.47Å; M16-F110 HydrophobicContact SD-CG 4.47Å |
| 17 | K | 96 | Very high | 94.2 | Very high | 79 Ų | 79 | 69.5 Ų | 69.5 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.2 | -53.1 | 174.3 | 176.4 | 164.2 | -176.6 | 156.2 | 0 | 111.6 | I13 H14 G15 Q21 I29 | I13-K17 VanDerWaalsContact O-CB 3.24Å; I13-K17 WeakPolarHBondContact O-CB 3.48Å; I13-K17 PolarHBondContact O-N 3.05Å; H14-K17 PolarHBondContact O-N 3Å; G15-K17 VanDerWaalsContact C-N 3.35Å; G15-K17 PolarHBondContact O-N 3.22Å; K17-Q21 VanDerWaalsContact O-CB 3.22Å; K17-Q21 WeakPolarHBondContact O-CB 3.4Å; K17-Q21 WeakPolarHBondContact O-CG 3.39Å; K17-Q21 PolarHBondContact O-N 3.33Å; K17-Q21 VanDerWaalsContact O-N 3.08Å; K17-I29 HydrophobicContact CB-CB 4.29Å; K17-I29 HydrophobicContact CB-CG2 4.27Å; K17-I29 HydrophobicContact CD-CB 4.49Å; K17-I29 WeakPolarHBondContact CE-O 3.43Å; K17-I29 HydrophobicContact CG-CB 4.17Å; K17-I29 PolarHBondContact NZ-O 3.49Å |
| 18 | I | 95.6 | Very high | 94.3 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 40% | 0.395 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 178.7 | -66.7 | 171.4 | 0 | 0 | 0 | 110.4 | H14 G15 L20 Q21 Q22 | H14-I18 WeakPolarHBondContact NE2-CD1 3.5Å; H14-I18 PolarHBondContact O-N 3.2Å; H14-I18 VanDerWaalsContact O-N 3.13Å; G15-I18 PolarHBondContact O-N 3.36Å; I18-L20 PolarHBondContact O-N 3.22Å; I18-Q21 PolarHBondContact O-N 2.87Å; I18-Q22 WeakPolarHBondContact O-CG 3.35Å; I18-Q22 PolarHBondContact O-N 3.32Å; I18-Q22 VanDerWaalsContact O-N 3.14Å |
| 19 | S | 95.5 | Very high | 94.6 | Very high | 32 Ų | 32 | 64.3 Ų | 64.3 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | -170.6 | -55 | 0 | 0 | 0 | 0 | 112.8 | G15 M16 | G15-S19 VanDerWaalsContact O-CB 3.26Å; G15-S19 WeakPolarHBondContact O-CB 3.4Å; G15-S19 PolarHBondContact O-N 2.68Å; G15-S19 PolarHBondContact O-OG 2.88Å; M16-S19 PolarHBondContact O-N 3.41Å |
| 20 | L | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -75.8 | -35.4 | 175 | -70.5 | 177 | 0 | 0 | 0 | 112.4 | M16 I18 Q22 R23 I24 I29 M51 F110 A111 V114 | M16-L20 HydrophobicContact CE-CD1 3.71Å; M16-L20 HydrophobicContact CE-CD2 4.36Å; M16-L20 HydrophobicContact CE-CG 3.89Å; M16-L20 VanDerWaalsContact O-CB 3.27Å; M16-L20 WeakPolarHBondContact O-CB 3.31Å; M16-L20 WeakPolarHBondContact O-CG 3.47Å; M16-L20 PolarHBondContact O-N 2.83Å; I18-L20 PolarHBondContact O-N 3.22Å; L20-Q22 PolarHBondContact O-N 2.94Å; L20-R23 PolarHBondContact O-N 3.47Å; L20-I24 HydrophobicContact CD2-CD1 4.16Å; L20-I24 PolarHBondContact O-N 2.96Å; L20-I29 HydrophobicContact CB-CD1 3.58Å; L20-I29 HydrophobicContact CD1-CD1 3.78Å; L20-I29 HydrophobicContact CG-CD1 4.3Å; L20-M51 HydrophobicContact CD1-CE 4.2Å; L20-F110 HydrophobicContact CD2-CB 4.16Å; L20-A111 HydrophobicContact CD2-CB 4.1Å; L20-V114 HydrophobicContact CD1-CG2 4.19Å |
| 21 | Q | 95.9 | Very high | 95.1 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -28.1 | 176.5 | -74.7 | -174.3 | -50.1 | 0 | 0 | 113 | K17 I18 V27 | K17-Q21 VanDerWaalsContact O-CB 3.22Å; K17-Q21 WeakPolarHBondContact O-CB 3.4Å; K17-Q21 WeakPolarHBondContact O-CG 3.39Å; K17-Q21 PolarHBondContact O-N 3.33Å; K17-Q21 VanDerWaalsContact O-N 3.08Å; I18-Q21 PolarHBondContact O-N 2.87Å; Q21-V27 HydrophobicContact CB-CG1 4.34Å; Q21-V27 HydrophobicContact CG-CG1 3.65Å; Q21-V27 PolarHBondContact NE2-O 3.43Å |
| 22 | Q | 94.5 | Very high | 95.3 | Very high | 158 Ų | 158 | 52.6 Ų | 52.6 | 74% | 0.738 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71.9 | -25.1 | 171.2 | -70.8 | 174 | -1.9 | 0 | 0 | 113.6 | I18 L20 | I18-Q22 WeakPolarHBondContact O-CG 3.35Å; I18-Q22 PolarHBondContact O-N 3.32Å; I18-Q22 VanDerWaalsContact O-N 3.14Å; L20-Q22 PolarHBondContact O-N 2.94Å |
| 23 | R | 94.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 50% | 0.502 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -105.2 | -22.5 | -175.8 | -65.6 | -153.3 | 174.6 | -68.4 | -0.9 | 114.9 | L20 V107 E108 A111 | L20-R23 PolarHBondContact O-N 3.47Å; R23-V107 HydrophobicContact CG-CG1 4.32Å; R23-E108 IonicContact CZ-OE1 3.17Å; R23-E108 IonicContact NE-OE1 3.39Å; R23-E108 PolarHBondContact NE-OE1 3.38Å; R23-E108 IonicContact NH2-OE1 2.63Å; R23-E108 PolarHBondContact NH2-OE1 3.44Å; R23-A111 HydrophobicContact CB-CB 4.15Å |
| 24 | I | 95.5 | Very high | 95.2 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -125 | 94.1 | -176.3 | -49.9 | 179.4 | 0 | 0 | 0 | 109.2 | M1 L20 G26 V27 A111 V114 | M1-I24 HydrophobicContact CE-CD1 4.33Å; M1-I24 HydrophobicContact CE-CG2 3.8Å; L20-I24 HydrophobicContact CD2-CD1 4.16Å; L20-I24 PolarHBondContact O-N 2.96Å; I24-G26 PolarHBondContact O-N 3.03Å; I24-V27 HydrophobicContact CB-CB 4Å; I24-V27 HydrophobicContact CB-CG1 3.99Å; I24-V27 HydrophobicContact CG2-CB 3.93Å; I24-V27 HydrophobicContact CG2-CG1 4.48Å; I24-V27 WeakPolarHBondContact O-CB 3.42Å; I24-V27 VanDerWaalsContact O-CG1 3.27Å; I24-V27 WeakPolarHBondContact O-CG1 3.34Å; I24-V27 PolarHBondContact O-N 3.37Å; I24-V27 VanDerWaalsContact O-N 3.13Å; I24-A111 HydrophobicContact CD1-CB 4.18Å; I24-A111 HydrophobicContact CG1-CB 4.19Å; I24-V114 HydrophobicContact CD1-CB 4.01Å; I24-V114 HydrophobicContact CD1-CG1 3.53Å |
| 25 | P | 91.5 | Very high | 95.2 | Very high | 125 Ų | 125 | 53.6 Ų | 53.6 | 81% | 0.812 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.7 | 176.8 | -26.5 | 35.5 | 0 | 0 | 0 | 112 | V27 | P25-V27 VanDerWaalsContact C-N 3.28Å; P25-V27 PolarHBondContact O-N 3.19Å |
| 26 | G | 93 | Very high | 95.2 | Very high | 67 Ų | 67 | 57.8 Ų | 57.8 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 15.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1 I24 | M1-G26 PolarHBondContact N-O 3.06Å; I24-G26 PolarHBondContact O-N 3.03Å |
| 27 | V | 96 | Very high | 95.3 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | trans | -77.4 | 130.2 | 163.6 | 81 | 0 | 0 | 0 | 0 | 110.5 | M1 I3 Q21 I24 P25 I29 | M1-V27 HydrophobicContact CE-CB 4.46Å; M1-V27 HydrophobicContact CE-CG2 3.89Å; M1-V27 WeakPolarHBondContact O-CA 3.47Å; I3-V27 HydrophobicContact CD1-CG2 3.5Å; I3-V27 HydrophobicContact CG1-CG2 3.82Å; Q21-V27 HydrophobicContact CB-CG1 4.34Å; Q21-V27 HydrophobicContact CG-CG1 3.65Å; Q21-V27 PolarHBondContact NE2-O 3.43Å; I24-V27 HydrophobicContact CB-CB 4Å; I24-V27 HydrophobicContact CB-CG1 3.99Å; I24-V27 HydrophobicContact CG2-CB 3.93Å; I24-V27 HydrophobicContact CG2-CG1 4.48Å; I24-V27 WeakPolarHBondContact O-CB 3.42Å; I24-V27 VanDerWaalsContact O-CG1 3.27Å; I24-V27 WeakPolarHBondContact O-CG1 3.34Å; I24-V27 PolarHBondContact O-N 3.37Å; I24-V27 VanDerWaalsContact O-N 3.13Å; P25-V27 VanDerWaalsContact C-N 3.28Å; P25-V27 PolarHBondContact O-N 3.19Å; V27-I29 HydrophobicContact CG1-CD1 4.11Å; V27-I29 HydrophobicContact CG1-CG1 4.27Å; V27-I29 HydrophobicContact CG2-CD1 4.23Å; V27-I29 HydrophobicContact CG2-CG1 3.95Å | ||
| 28 | S | 96.4 | Very high | 95.3 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.6 | 171.5 | 162.6 | 0 | 0 | 0 | 0 | 107.5 | M1 Q2 I3 | M1-S28 PolarHBondContact O-N 3.26Å; Q2-S28 WeakPolarHBondContact CA-O 3.28Å; Q2-S28 PolarHBondContact OE1-O 3.41Å; Q2-S28 PolarHBondContact OE1-OG 3.34Å; I3-S28 PolarHBondContact N-O 3.3Å |
| 29 | I | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.8 | -173 | -56.4 | 179.9 | 0 | 0 | 0 | 108.5 | I3 M5 K17 L20 V27 | I3-I29 HydrophobicContact CB-CG1 4.17Å; I3-I29 HydrophobicContact CD1-CD1 4.34Å; I3-I29 HydrophobicContact CD1-CG1 4.28Å; I3-I29 HydrophobicContact CG1-CG1 4.5Å; I3-I29 WeakPolarHBondContact O-CA 3.4Å; M5-I29 HydrophobicContact CG-CG2 3.85Å; M5-I29 HydrophobicContact SD-CG2 3.66Å; K17-I29 HydrophobicContact CB-CB 4.29Å; K17-I29 HydrophobicContact CB-CG2 4.27Å; K17-I29 HydrophobicContact CD-CB 4.49Å; K17-I29 WeakPolarHBondContact CE-O 3.43Å; K17-I29 HydrophobicContact CG-CB 4.17Å; K17-I29 PolarHBondContact NZ-O 3.49Å; L20-I29 HydrophobicContact CB-CD1 3.58Å; L20-I29 HydrophobicContact CD1-CD1 3.78Å; L20-I29 HydrophobicContact CG-CD1 4.3Å; V27-I29 HydrophobicContact CG1-CD1 4.11Å; V27-I29 HydrophobicContact CG1-CG1 4.27Å; V27-I29 HydrophobicContact CG2-CD1 4.23Å; V27-I29 HydrophobicContact CG2-CG1 3.95Å |
| 30 | Q | 96.7 | Very high | 95.5 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 24% | 0.243 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.8 | 172.9 | -61.4 | -145.4 | 18.4 | 0 | 0 | 110.2 | I3 V4 M5 K41 Y45 | I3-Q30 PolarHBondContact O-N 3.36Å; V4-Q30 CarbonylContact C-O 3.32Å; V4-Q30 WeakPolarHBondContact CA-O 3.48Å; M5-Q30 PolarHBondContact N-O 3.01Å; Q30-K41 HydrophobicContact CB-CD 4.13Å; Q30-K41 VanDerWaalsContact OE1-NZ 3.11Å; Q30-Y45 PolarHBondContact NE2-OH 3.19Å |
| 31 | G | 96.4 | Very high | 95.5 | Very high | 24 Ų | 24 | 61 Ų | 61 | 25% | 0.247 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 148.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M5 K41 | M5-G31 CarbonylContact O-C 3.54Å; M5-G31 WeakPolarHBondContact O-CA 3.33Å; G31-K41 WeakPolarHBondContact O-CE 3.39Å; G31-K41 PolarHBondContact O-NZ 3.35Å |
| 32 | A | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | M5 F6 D7 E37 L38 K41 | M5-A32 PolarHBondContact O-N 3.37Å; F6-A32 WeakPolarHBondContact CA-O 3.09Å; F6-A32 HydrophobicContact CD2-CB 4.19Å; D7-A32 PolarHBondContact N-O 3.48Å; A32-E37 HydrophobicContact CB-CB 3.79Å; A32-L38 HydrophobicContact CB-CB 4Å; A32-K41 HydrophobicContact CB-CD 4.28Å |
| 33 | S | 93.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 56.2 Ų | 56.2 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -114.6 | -17.5 | 176.1 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | E37 | S33-E37 PolarHBondContact N-OE2 3.39Å; S33-E37 PolarHBondContact OG-OE2 3.11Å |
| 34 | Q | 93.6 | Very high | 95.7 | Very high | 125 Ų | 125 | 53.4 Ų | 53.4 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -124.6 | 152.8 | 174.7 | -59.7 | -167.8 | -23 | 0 | 0 | 111 | D36 E37 L38 | Q34-D36 VanDerWaalsContact C-N 3.31Å; Q34-D36 PolarHBondContact O-N 3.01Å; Q34-E37 HydrophobicContact CB-CG 4.25Å; Q34-E37 PolarHBondContact N-OE2 2.9Å; Q34-E37 VanDerWaalsContact N-OE2 3.1Å; Q34-E37 WeakPolarHBondContact O-CB 3.16Å; Q34-E37 PolarHBondContact O-N 2.83Å; Q34-L38 PolarHBondContact O-N 3.31Å |
| 35 | A | 94.7 | Very high | 95.7 | Very high | 15 Ų | 15 | 56.6 Ų | 56.6 | 12% | 0.124 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -38.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E37 L38 W39 W63 L64 | A35-E37 VanDerWaalsContact C-N 3.29Å; A35-E37 PolarHBondContact O-N 2.68Å; A35-L38 WeakPolarHBondContact O-CA 3.22Å; A35-L38 VanDerWaalsContact O-CB 3.31Å; A35-L38 WeakPolarHBondContact O-CB 3.06Å; A35-L38 PolarHBondContact O-N 2.87Å; A35-W39 HydrophobicContact CB-CZ2 4.35Å; A35-W39 PolarHBondContact O-N 2.97Å; A35-W39 PolarHBondContact O-NE1 2.87Å; A35-W63 HydrophobicContact CB-CH2 3.64Å; A35-W63 HydrophobicContact CB-CZ3 3.66Å; A35-L64 HydrophobicContact CB-CD2 4.1Å |
| 36 | D | 96.2 | Very high | 95.7 | Very high | 118 Ų | 118 | 54.2 Ų | 54.2 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.3 | -33.5 | 178.7 | -56.4 | -28.1 | 0 | 0 | 0 | 112.1 | Q34 L38 W39 Q40 | Q34-D36 VanDerWaalsContact C-N 3.31Å; Q34-D36 PolarHBondContact O-N 3.01Å; D36-L38 VanDerWaalsContact C-N 3.32Å; D36-L38 PolarHBondContact O-N 3.35Å; D36-W39 PolarHBondContact O-N 3.02Å; D36-Q40 WeakPolarHBondContact O-CB 3.46Å; D36-Q40 PolarHBondContact O-N 3.1Å |
| 37 | E | 96.5 | Very high | 95.6 | Very high | 72 Ų | 72 | 59.4 Ų | 59.4 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.8 | -34.9 | 172 | -59.4 | -180 | 137.9 | 0 | 0 | 111.8 | A32 S33 Q34 A35 K41 | A32-E37 HydrophobicContact CB-CB 3.79Å; S33-E37 PolarHBondContact N-OE2 3.39Å; S33-E37 PolarHBondContact OG-OE2 3.11Å; Q34-E37 HydrophobicContact CB-CG 4.25Å; Q34-E37 PolarHBondContact N-OE2 2.9Å; Q34-E37 VanDerWaalsContact N-OE2 3.1Å; Q34-E37 WeakPolarHBondContact O-CB 3.16Å; Q34-E37 PolarHBondContact O-N 2.83Å; A35-E37 VanDerWaalsContact C-N 3.29Å; A35-E37 PolarHBondContact O-N 2.68Å; E37-K41 WeakPolarHBondContact O-CD 3.38Å; E37-K41 WeakPolarHBondContact O-CE 3.23Å; E37-K41 WeakPolarHBondContact O-CG 3.46Å; E37-K41 PolarHBondContact O-N 2.86Å |
| 38 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.3 | -50.1 | 174.5 | 173 | 64.8 | 0 | 0 | 0 | 110.1 | V4 F6 A32 Q34 A35 D36 Q40 K41 L42 V50 L52 L64 | V4-L38 HydrophobicContact CB-CD1 4.27Å; V4-L38 HydrophobicContact CG1-CD1 3.54Å; F6-L38 HydrophobicContact CB-CD2 4.34Å; F6-L38 HydrophobicContact CD2-CB 4.16Å; F6-L38 HydrophobicContact CD2-CD2 4.17Å; F6-L38 HydrophobicContact CG-CD2 4.48Å; A32-L38 HydrophobicContact CB-CB 4Å; Q34-L38 PolarHBondContact O-N 3.31Å; A35-L38 WeakPolarHBondContact O-CA 3.22Å; A35-L38 VanDerWaalsContact O-CB 3.31Å; A35-L38 WeakPolarHBondContact O-CB 3.06Å; A35-L38 PolarHBondContact O-N 2.87Å; D36-L38 VanDerWaalsContact C-N 3.32Å; D36-L38 PolarHBondContact O-N 3.35Å; L38-Q40 PolarHBondContact O-N 3.03Å; L38-K41 PolarHBondContact O-N 3.41Å; L38-K41 VanDerWaalsContact O-N 3.12Å; L38-L42 HydrophobicContact CD1-CD1 4.04Å; L38-L42 HydrophobicContact CD1-CD2 4.48Å; L38-L42 HydrophobicContact CD1-CG 4.12Å; L38-L42 HydrophobicContact CG-CD1 4.17Å; L38-L42 WeakPolarHBondContact O-CG 3.46Å; L38-L42 PolarHBondContact O-N 2.85Å; L38-V50 HydrophobicContact CD1-CG2 4.3Å; L38-L52 HydrophobicContact CD2-CD2 4.2Å; L38-L64 HydrophobicContact CD2-CD2 4.02Å |
| 39 | W | 96.9 | Very high | 95.6 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 11% | 0.106 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -47.5 | -179.1 | -50.9 | 142.4 | 0 | 0 | 0 | 112.2 | A35 D36 K41 L42 E43 W63 L64 K67 T68 F72 | A35-W39 HydrophobicContact CB-CZ2 4.35Å; A35-W39 PolarHBondContact O-N 2.97Å; A35-W39 PolarHBondContact O-NE1 2.87Å; D36-W39 PolarHBondContact O-N 3.02Å; W39-K41 PolarHBondContact O-N 2.93Å; W39-L42 HydrophobicContact CE3-CD1 4.15Å; W39-L42 HydrophobicContact CZ3-CD1 4.21Å; W39-L42 PolarHBondContact O-N 2.92Å; W39-E43 WeakPolarHBondContact O-CG 3.36Å; W39-E43 PolarHBondContact O-N 2.89Å; W39-W63 HydrophobicContact CZ2-CH2 4.28Å; W39-W63 HydrophobicContact CZ2-CZ3 4.36Å; W39-L64 HydrophobicContact CH2-CD2 3.73Å; W39-L64 HydrophobicContact CZ2-CD2 3.67Å; W39-K67 HydrophobicContact CH2-CB 3.64Å; W39-K67 HydrophobicContact CZ2-CB 3.69Å; W39-K67 HydrophobicContact CZ2-CG 4.35Å; W39-T68 WeakPolarHBondContact CZ3-OG1 3.18Å; W39-F72 HydrophobicContact CE3-CD2 4.45Å; W39-F72 AromaticContact CE3-CE2 3.84Å; W39-F72 HydrophobicContact CE3-CE2 3.84Å; W39-F72 HydrophobicContact CZ3-CE2 4.48Å |
| 40 | Q | 97.3 | Very high | 95.6 | Very high | 129 Ų | 129 | 57.6 Ų | 57.6 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58 | -34.3 | 176.6 | -170.2 | -175.7 | 19 | 0 | 0 | 112.7 | D36 L38 S44 | D36-Q40 WeakPolarHBondContact O-CB 3.46Å; D36-Q40 PolarHBondContact O-N 3.1Å; L38-Q40 PolarHBondContact O-N 3.03Å; Q40-S44 PolarHBondContact O-N 3.1Å; Q40-S44 PolarHBondContact O-OG 2.96Å |
| 41 | K | 97.2 | Very high | 95.7 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 17% | 0.17 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75.7 | -35.2 | 176.5 | -70 | 161.9 | -160.4 | -91.7 | 0 | 112.1 | V4 Q30 G31 A32 E37 L38 W39 S44 Y45 | V4-K41 HydrophobicContact CG1-CB 3.85Å; V4-K41 HydrophobicContact CG1-CD 3.79Å; V4-K41 HydrophobicContact CG1-CG 4.45Å; V4-K41 HydrophobicContact CG2-CB 3.92Å; Q30-K41 HydrophobicContact CB-CD 4.13Å; Q30-K41 VanDerWaalsContact OE1-NZ 3.11Å; G31-K41 WeakPolarHBondContact O-CE 3.39Å; G31-K41 PolarHBondContact O-NZ 3.35Å; A32-K41 HydrophobicContact CB-CD 4.28Å; E37-K41 WeakPolarHBondContact O-CD 3.38Å; E37-K41 WeakPolarHBondContact O-CE 3.23Å; E37-K41 WeakPolarHBondContact O-CG 3.46Å; E37-K41 PolarHBondContact O-N 2.86Å; L38-K41 PolarHBondContact O-N 3.41Å; L38-K41 VanDerWaalsContact O-N 3.12Å; W39-K41 PolarHBondContact O-N 2.93Å; K41-S44 CarbonylContact O-C 3.42Å; K41-S44 PolarHBondContact O-N 3.07Å; K41-Y45 WeakPolarHBondContact O-CB 3.37Å; K41-Y45 WeakPolarHBondContact O-CD2 3.48Å; K41-Y45 PolarHBondContact O-N 3.48Å |
| 42 | L | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.1 | -33.4 | 176.2 | -62.3 | -177 | 0 | 0 | 0 | 112.6 | V4 L38 W39 S44 Y45 P46 A48 V50 T68 F72 V75 | V4-L42 HydrophobicContact CB-CD2 4.27Å; V4-L42 HydrophobicContact CG2-CD2 4.07Å; L38-L42 HydrophobicContact CD1-CD1 4.04Å; L38-L42 HydrophobicContact CD1-CD2 4.48Å; L38-L42 HydrophobicContact CD1-CG 4.12Å; L38-L42 HydrophobicContact CG-CD1 4.17Å; L38-L42 WeakPolarHBondContact O-CG 3.46Å; L38-L42 PolarHBondContact O-N 2.85Å; W39-L42 HydrophobicContact CE3-CD1 4.15Å; W39-L42 HydrophobicContact CZ3-CD1 4.21Å; W39-L42 PolarHBondContact O-N 2.92Å; L42-S44 VanDerWaalsContact C-N 3.25Å; L42-S44 PolarHBondContact O-N 3.21Å; L42-Y45 CarbonylContact O-C 3.36Å; L42-Y45 VanDerWaalsContact O-C 3.22Å; L42-Y45 PolarHBondContact O-N 2.92Å; L42-P46 VanDerWaalsContact O-CA 3.3Å; L42-P46 WeakPolarHBondContact O-CA 3.45Å; L42-P46 VanDerWaalsContact O-N 3.09Å; L42-A48 HydrophobicContact CD2-CB 4.28Å; L42-V50 HydrophobicContact CD1-CG2 3.91Å; L42-V50 HydrophobicContact CD2-CG2 3.45Å; L42-V50 VanDerWaalsContact CD2-CG2 3.45Å; L42-V50 HydrophobicContact CG-CG2 4.27Å; L42-T68 HydrophobicContact CD1-CG2 4.22Å; L42-F72 HydrophobicContact CB-CD1 3.79Å; L42-F72 HydrophobicContact CB-CD2 4.01Å; L42-F72 HydrophobicContact CB-CE1 3.66Å; L42-F72 HydrophobicContact CB-CE2 3.9Å; L42-F72 HydrophobicContact CB-CG 3.97Å; L42-F72 HydrophobicContact CB-CZ 3.72Å; L42-F72 HydrophobicContact CD1-CD2 3.76Å; L42-F72 HydrophobicContact CD1-CE2 4.08Å; L42-F72 HydrophobicContact CD1-CG 4.17Å; L42-V75 HydrophobicContact CD2-CG2 4.24Å |
| 43 | E | 96.2 | Very high | 95.5 | Very high | 142 Ų | 142 | 54.4 Ų | 54.4 | 66% | 0.664 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.8 | -37.6 | 167.1 | -69.9 | 176.3 | 172.4 | 0 | 0 | 111.9 | W39 F72 | W39-E43 WeakPolarHBondContact O-CG 3.36Å; W39-E43 PolarHBondContact O-N 2.89Å; E43-F72 HydrophobicContact CG-CE1 4.08Å; E43-F72 HydrophobicContact CG-CZ 4.08Å |
| 44 | S | 96.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -78.2 | -25.6 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 113.8 | Q40 K41 L42 | Q40-S44 PolarHBondContact O-N 3.1Å; Q40-S44 PolarHBondContact O-OG 2.96Å; K41-S44 CarbonylContact O-C 3.42Å; K41-S44 PolarHBondContact O-N 3.07Å; L42-S44 VanDerWaalsContact C-N 3.25Å; L42-S44 PolarHBondContact O-N 3.21Å |
| 45 | Y | 94.4 | Very high | 94.8 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | trans | -142.3 | 70.2 | -174 | -51.9 | -68.5 | 0 | 0 | 0 | 111 | Q2 Q30 K41 L42 E47 A48 | Q2-Y45 HydrophobicContact CG-CD1 3.86Å; Q2-Y45 HydrophobicContact CG-CE1 4.39Å; Q2-Y45 HydrophobicContact CG-CG 4.25Å; Q30-Y45 PolarHBondContact NE2-OH 3.19Å; K41-Y45 WeakPolarHBondContact O-CB 3.37Å; K41-Y45 WeakPolarHBondContact O-CD2 3.48Å; K41-Y45 PolarHBondContact O-N 3.48Å; L42-Y45 CarbonylContact O-C 3.36Å; L42-Y45 VanDerWaalsContact O-C 3.22Å; L42-Y45 PolarHBondContact O-N 2.92Å; Y45-E47 PolarHBondContact O-N 2.87Å; Y45-A48 WeakPolarHBondContact O-CB 3.48Å; Y45-A48 PolarHBondContact O-N 3.14Å | ||
| 46 | P | 91 | Very high | 94 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.8 | -173.7 | 24.1 | -34.7 | 0 | 0 | 0 | 114.1 | L42 A48 V75 | L42-P46 VanDerWaalsContact O-CA 3.3Å; L42-P46 WeakPolarHBondContact O-CA 3.45Å; L42-P46 VanDerWaalsContact O-N 3.09Å; P46-A48 VanDerWaalsContact C-N 3.33Å; P46-V75 VanDerWaalsContact O-CG2 3.26Å; P46-V75 WeakPolarHBondContact O-CG2 3.22Å |
| 47 | E | 91.4 | Very high | 93.3 | Very high | 177 Ų | 177 | 49.3 Ų | 49.3 | 83% | 0.827 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.8 | 174.6 | -60.7 | -177.3 | -179.4 | 0 | 0 | 113.8 | Y45 | Y45-E47 PolarHBondContact O-N 2.87Š|
| 48 | A | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 143.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q2 V4 L42 Y45 P46 V50 | Q2-A48 HydrophobicContact CB-CB 4.15Å; V4-A48 HydrophobicContact CG2-CB 3.91Å; L42-A48 HydrophobicContact CD2-CB 4.28Å; Y45-A48 WeakPolarHBondContact O-CB 3.48Å; Y45-A48 PolarHBondContact O-N 3.14Å; P46-A48 VanDerWaalsContact C-N 3.33Å; A48-V50 PolarHBondContact O-N 2.91Å |
| 49 | L | 97.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.6 | 161.5 | 178 | 68.8 | 0 | 0 | 0 | 107.7 | Q2 I3 V4 K76 L78 V114 A117 | Q2-L49 PolarHBondContact O-N 3.44Å; Q2-L49 VanDerWaalsContact O-N 3.1Å; I3-L49 VanDerWaalsContact CA-O 3.23Å; I3-L49 WeakPolarHBondContact CA-O 3.49Å; I3-L49 HydrophobicContact CD1-CD2 4.48Å; I3-L49 HydrophobicContact CG1-CB 4.4Å; I3-L49 WeakPolarHBondContact CG2-O 3.29Å; V4-L49 PolarHBondContact N-O 3.36Å; L49-K76 HydrophobicContact CD1-CB 3.86Å; L49-L78 HydrophobicContact CD1-CB 4.44Å; L49-V114 HydrophobicContact CD2-CB 4.34Å; L49-V114 HydrophobicContact CD2-CG1 4.06Å; L49-V114 HydrophobicContact CD2-CG2 4.3Å; L49-A117 HydrophobicContact CD1-CB 3.78Å; L49-A117 HydrophobicContact CD2-CB 4.29Å |
| 50 | V | 97.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 136 | 171.4 | 165.4 | 0 | 0 | 0 | 0 | 109.4 | V4 L38 L42 A48 L52 V75 K76 V77 L78 | V4-V50 WeakPolarHBondContact O-CA 3.35Å; L38-V50 HydrophobicContact CD1-CG2 4.3Å; L42-V50 HydrophobicContact CD1-CG2 3.91Å; L42-V50 HydrophobicContact CD2-CG2 3.45Å; L42-V50 VanDerWaalsContact CD2-CG2 3.45Å; L42-V50 HydrophobicContact CG-CG2 4.27Å; A48-V50 PolarHBondContact O-N 2.91Å; V50-L52 HydrophobicContact CG1-CD1 4.5Å; V50-L52 HydrophobicContact CG1-CD2 3.4Å; V50-L52 VanDerWaalsContact CG1-CD2 3.4Å; V50-L52 HydrophobicContact CG1-CG 3.63Å; V50-V75 HydrophobicContact CB-CG1 3.78Å; V50-V75 HydrophobicContact CG2-CG1 3.4Å; V50-K76 PolarHBondContact N-O 2.81Å; V50-V77 HydrophobicContact CB-CG2 4.41Å; V50-V77 HydrophobicContact CG1-CG1 4.49Å; V50-V77 CarbonylContact O-C 3.55Å; V50-V77 WeakPolarHBondContact O-CA 3.39Å; V50-L78 PolarHBondContact O-N 3.33Å |
| 51 | M | 97.2 | Very high | 91 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 102.6 | 173.8 | -178.9 | 174.3 | -53.2 | 0 | 0 | 108.8 | I3 V4 M5 F6 L20 L78 T80 V114 | I3-M51 HydrophobicContact CG2-CB 4.06Å; I3-M51 HydrophobicContact CG2-CE 4.25Å; V4-M51 PolarHBondContact O-N 2.99Å; M5-M51 CarbonylContact C-O 3.59Å; M5-M51 WeakPolarHBondContact CA-O 3.41Å; M5-M51 HydrophobicContact CE-SD 3.83Å; M5-M51 HydrophobicContact CG-CB 4.01Å; M5-M51 HydrophobicContact CG-CG 4.31Å; M5-M51 HydrophobicContact CG-SD 4.07Å; M5-M51 HydrophobicContact SD-SD 4.27Å; F6-M51 PolarHBondContact N-O 2.96Å; L20-M51 HydrophobicContact CD1-CE 4.2Å; M51-L78 CarbonylContact C-O 3.55Å; M51-L78 VanDerWaalsContact CA-O 3.25Å; M51-L78 WeakPolarHBondContact CA-O 3.49Å; M51-L78 HydrophobicContact CE-CD1 4.37Å; M51-L78 HydrophobicContact CE-CD2 4.11Å; M51-L78 HydrophobicContact CG-CD2 3.8Å; M51-L78 HydrophobicContact SD-CD2 4.24Å; M51-T80 HydrophobicContact CG-CG2 3.72Å; M51-T80 HydrophobicContact SD-CG2 3.96Å; M51-V114 HydrophobicContact CE-CG2 3.46Å; M51-V114 VanDerWaalsContact CE-CG2 3.46Å |
| 52 | L | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 140.8 | -177.5 | -61.9 | -175.1 | 0 | 0 | 0 | 112.3 | F6 L38 V50 G54 L64 L65 V77 L78 I79 T80 | F6-L52 HydrophobicContact CB-CD2 3.63Å; F6-L52 HydrophobicContact CG-CD2 4.34Å; L38-L52 HydrophobicContact CD2-CD2 4.2Å; V50-L52 HydrophobicContact CG1-CD1 4.5Å; V50-L52 HydrophobicContact CG1-CD2 3.4Å; V50-L52 VanDerWaalsContact CG1-CD2 3.4Å; V50-L52 HydrophobicContact CG1-CG 3.63Å; L52-G54 PolarHBondContact O-N 2.85Å; L52-L64 HydrophobicContact CD1-CB 4.27Å; L52-L64 HydrophobicContact CD2-CD1 4.4Å; L52-L65 HydrophobicContact CD1-CD2 3.6Å; L52-L65 HydrophobicContact CD1-CG 3.88Å; L52-V77 HydrophobicContact CD1-CG1 4.16Å; L52-V77 HydrophobicContact CG-CG1 4.15Å; L52-L78 PolarHBondContact N-O 3.45Å; L52-I79 CarbonylContact O-C 3.49Å; L52-I79 WeakPolarHBondContact O-CA 3.31Å; L52-I79 WeakPolarHBondContact O-CG2 3.43Å; L52-T80 PolarHBondContact O-N 3.39Å; L52-T80 PolarHBondContact O-OG1 3.13Å |
| 53 | D | 92.8 | Very high | 90.5 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 114.2 | 157.4 | -177.8 | 2.9 | 0 | 0 | 0 | 111 | F6 D7 D55 Q56 R103 | F6-D53 WeakPolarHBondContact O-CB 3.49Å; F6-D53 PolarHBondContact O-N 3.37Å; D7-D53 HydrophobicContact CB-CB 4.28Å; D53-D55 PolarHBondContact OD1-N 3.48Å; D53-Q56 HydrophobicContact CB-CG 3.91Å; D53-Q56 WeakPolarHBondContact OD2-CG 3.37Å; D53-Q56 PolarHBondContact OD2-NE2 3.3Å; D53-R103 IonicContact OD1-CZ 2.78Å; D53-R103 IonicContact OD1-NE 2.8Å; D53-R103 IonicContact OD1-NH2 2.77Å; D53-R103 PolarHBondContact OD1-NH2 2.89Å; D53-R103 IonicContact OD2-NH2 3.26Å; D53-R103 PolarHBondContact OD2-NH2 3.37Å |
| 54 | G | 88.9 | Confident | 90.4 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -95.6 | -4.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L52 Q56 T80 | L52-G54 PolarHBondContact O-N 2.85Å; G54-Q56 VanDerWaalsContact C-N 3.31Å; G54-T80 PolarHBondContact N-O 3.33Å |
| 55 | D | 83.8 | Confident | 90.3 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 34% | 0.342 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -88.8 | 2 | 176.1 | -69.5 | -40 | 0 | 0 | 0 | 113 | D53 A81 T82 R103 | D53-D55 PolarHBondContact OD1-N 3.48Å; D55-A81 WeakPolarHBondContact OD1-CA 3.42Å; D55-A81 WeakPolarHBondContact OD2-CA 3.4Å; D55-T82 PolarHBondContact OD1-N 3.41Å; D55-T82 WeakPolarHBondContact OD2-CB 3.35Å; D55-T82 PolarHBondContact OD2-N 2.98Å; D55-T82 PolarHBondContact OD2-OG1 3.27Å; D55-R103 WeakPolarHBondContact OD2-CD 3.4Å; D55-R103 IonicContact OD2-NE 3.8Å; D55-R103 PolarHBondContact OD2-NE 3.1Å |
| 56 | Q | 78.1 | Confident | 90.3 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -70.3 | 180 | 169.3 | -52.6 | -150.5 | -0.6 | 0 | 0 | 110.8 | R8 D53 G54 G58 F60 | R8-Q56 VanDerWaalsContact CZ-OE1 3.26Å; D53-Q56 HydrophobicContact CB-CG 3.91Å; D53-Q56 WeakPolarHBondContact OD2-CG 3.37Å; D53-Q56 PolarHBondContact OD2-NE2 3.3Å; G54-Q56 VanDerWaalsContact C-N 3.31Å; Q56-G58 PolarHBondContact O-N 3.02Å; Q56-G58 VanDerWaalsContact O-N 3.17Å; Q56-F60 HydrophobicContact CB-CD1 4.45Å |
| 57 | D | 81.2 | Confident | 90.4 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 52% | 0.519 | 24% | 0.238 | S | C | . | . | trans | -44.9 | 124.2 | 164.1 | -177.1 | -74.2 | 0 | 0 | 0 | 111 | E59 F60 C61 | D57-E59 VanDerWaalsContact C-N 3.32Å; D57-E59 PolarHBondContact O-N 3.02Å; D57-E59 WeakPolarHBondContact OD1-CA 3.27Å; D57-E59 WeakPolarHBondContact OD1-CB 3.37Å; D57-E59 PolarHBondContact OD1-N 3.29Å; D57-F60 HydrophobicContact CB-CB 3.96Å; D57-F60 WeakPolarHBondContact O-CB 3.41Å; D57-F60 PolarHBondContact O-N 3.05Å; D57-F60 VanDerWaalsContact O-N 3.15Å; D57-F60 PolarHBondContact OD1-N 2.97Å; D57-C61 PolarHBondContact O-N 3.12Å | ||
| 58 | G | 78 | Confident | 90.6 | Very high | 43 Ų | 43 | 40 Ų | 40 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.3 | -32.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q56 Y62 | Q56-G58 PolarHBondContact O-N 3.02Å; Q56-G58 VanDerWaalsContact O-N 3.17Å; G58-Y62 WeakPolarHBondContact O-CB 3.45Å; G58-Y62 PolarHBondContact O-N 2.97Å |
| 59 | E | 84.2 | Confident | 90.4 | Very high | 163 Ų | 163 | 41.9 Ų | 41.9 | 76% | 0.762 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -68.3 | -40.6 | 174.2 | -58.3 | -170.9 | 166.1 | 0 | 0 | 110.2 | D57 Y62 W63 | D57-E59 VanDerWaalsContact C-N 3.32Å; D57-E59 PolarHBondContact O-N 3.02Å; D57-E59 WeakPolarHBondContact OD1-CA 3.27Å; D57-E59 WeakPolarHBondContact OD1-CB 3.37Å; D57-E59 PolarHBondContact OD1-N 3.29Å; E59-Y62 PolarHBondContact O-N 2.72Å; E59-W63 VanDerWaalsContact O-CB 3.31Å; E59-W63 WeakPolarHBondContact O-CB 3.4Å; E59-W63 PolarHBondContact O-N 3.26Å |
| 60 | F | 88.6 | Confident | 90.2 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -42 | 176 | -176.7 | -102.8 | 0 | 0 | 0 | 112.8 | F6 Q56 D57 W63 L64 | F6-F60 AromaticContact CE1-CE1 3.63Å; F6-F60 HydrophobicContact CE1-CE1 3.63Å; F6-F60 HydrophobicContact CE1-CZ 4.3Å; F6-F60 AromaticContact CZ-CE1 3.59Å; F6-F60 HydrophobicContact CZ-CE1 3.59Å; F6-F60 AromaticContact CZ-CZ 3.8Å; F6-F60 HydrophobicContact CZ-CZ 3.8Å; Q56-F60 HydrophobicContact CB-CD1 4.45Å; D57-F60 HydrophobicContact CB-CB 3.96Å; D57-F60 WeakPolarHBondContact O-CB 3.41Å; D57-F60 PolarHBondContact O-N 3.05Å; D57-F60 VanDerWaalsContact O-N 3.15Å; D57-F60 PolarHBondContact OD1-N 2.97Å; F60-W63 AromaticContact CD2-CE3 3.97Å; F60-W63 HydrophobicContact CD2-CE3 3.97Å; F60-W63 HydrophobicContact CD2-CZ3 4.28Å; F60-W63 AromaticContact CE2-CE3 3.79Å; F60-W63 HydrophobicContact CE2-CE3 3.79Å; F60-W63 AromaticContact CE2-CZ3 3.64Å; F60-W63 HydrophobicContact CE2-CZ3 3.64Å; F60-W63 HydrophobicContact CZ-CZ3 4.22Å; F60-W63 PolarHBondContact O-N 2.86Å; F60-L64 HydrophobicContact CD1-CD1 4.12Å; F60-L64 HydrophobicContact CE1-CD1 3.58Å; F60-L64 HydrophobicContact CE1-CG 4.11Å; F60-L64 HydrophobicContact CZ-CD1 4.03Å; F60-L64 HydrophobicContact CZ-CD2 4.35Å; F60-L64 HydrophobicContact CZ-CG 4.17Å; F60-L64 WeakPolarHBondContact O-CG 3.32Å; F60-L64 PolarHBondContact O-N 3.02Å |
| 61 | C | 89.7 | Confident | 90 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.1 | -170.7 | 0 | 0 | 0 | 0 | 111.3 | D57 W63 L64 L65 | D57-C61 PolarHBondContact O-N 3.12Å; C61-W63 PolarHBondContact O-N 2.83Å; C61-L64 PolarHBondContact O-N 2.81Å; C61-L65 WeakPolarHBondContact O-CG 3.4Å; C61-L65 PolarHBondContact O-N 2.85Å |
| 62 | Y | 89.9 | Confident | 89.9 | Confident | 89 Ų | 89 | 53.3 Ų | 53.3 | 35% | 0.349 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 177.4 | -161.6 | -97.6 | 0 | 0 | 0 | 112.2 | G58 E59 L65 Q66 F95 | G58-Y62 WeakPolarHBondContact O-CB 3.45Å; G58-Y62 PolarHBondContact O-N 2.97Å; E59-Y62 PolarHBondContact O-N 2.72Å; Y62-L65 PolarHBondContact O-N 2.92Å; Y62-Q66 HydrophobicContact CD1-CG 4.03Å; Y62-Q66 HydrophobicContact CE1-CG 3.95Å; Y62-Q66 VanDerWaalsContact CE1-NE2 3.31Å; Y62-Q66 WeakPolarHBondContact O-CB 3.43Å; Y62-Q66 WeakPolarHBondContact O-CG 3.28Å; Y62-Q66 PolarHBondContact O-N 3.44Å; Y62-F95 HydrophobicContact CD2-CE2 4.03Å; Y62-F95 HydrophobicContact CE1-CZ 4.21Å; Y62-F95 AromaticContact CE2-CE2 3.46Å; Y62-F95 HydrophobicContact CE2-CE2 3.46Å; Y62-F95 VanDerWaalsContact CE2-CE2 3.46Å; Y62-F95 AromaticContact CE2-CZ 3.88Å; Y62-F95 HydrophobicContact CE2-CZ 3.88Å; Y62-F95 AromaticContact CZ-CE2 3.75Å; Y62-F95 AromaticContact CZ-CZ 3.63Å |
| 63 | W | 92.4 | Very high | 89.8 | Confident | 96 Ų | 96 | 57.3 Ų | 57.3 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 174.4 | 171.8 | 86.1 | 0 | 0 | 0 | 112.4 | A35 W39 E59 F60 C61 Q66 K67 | A35-W63 HydrophobicContact CB-CH2 3.64Å; A35-W63 HydrophobicContact CB-CZ3 3.66Å; W39-W63 HydrophobicContact CZ2-CH2 4.28Å; W39-W63 HydrophobicContact CZ2-CZ3 4.36Å; E59-W63 VanDerWaalsContact O-CB 3.31Å; E59-W63 WeakPolarHBondContact O-CB 3.4Å; E59-W63 PolarHBondContact O-N 3.26Å; F60-W63 AromaticContact CD2-CE3 3.97Å; F60-W63 HydrophobicContact CD2-CE3 3.97Å; F60-W63 HydrophobicContact CD2-CZ3 4.28Å; F60-W63 AromaticContact CE2-CE3 3.79Å; F60-W63 HydrophobicContact CE2-CE3 3.79Å; F60-W63 AromaticContact CE2-CZ3 3.64Å; F60-W63 HydrophobicContact CE2-CZ3 3.64Å; F60-W63 HydrophobicContact CZ-CZ3 4.22Å; F60-W63 PolarHBondContact O-N 2.86Å; C61-W63 PolarHBondContact O-N 2.83Å; W63-Q66 PolarHBondContact O-N 2.88Å; W63-K67 HydrophobicContact CD2-CG 4.38Å; W63-K67 HydrophobicContact CZ2-CG 4.25Å; W63-K67 WeakPolarHBondContact O-CB 3.25Å; W63-K67 WeakPolarHBondContact O-CG 3.48Å; W63-K67 PolarHBondContact O-N 2.78Å |
| 64 | L | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 173.4 | -77.5 | 177.7 | 0 | 0 | 0 | 111.4 | F6 A35 L38 W39 L52 F60 C61 K67 T68 | F6-L64 HydrophobicContact CD1-CD1 3.72Å; F6-L64 HydrophobicContact CD2-CD1 4.41Å; F6-L64 HydrophobicContact CE1-CD1 3.76Å; F6-L64 HydrophobicContact CE2-CD1 4.4Å; F6-L64 HydrophobicContact CG-CD1 4.09Å; F6-L64 HydrophobicContact CZ-CD1 4.11Å; A35-L64 HydrophobicContact CB-CD2 4.1Å; L38-L64 HydrophobicContact CD2-CD2 4.02Å; W39-L64 HydrophobicContact CH2-CD2 3.73Å; W39-L64 HydrophobicContact CZ2-CD2 3.67Å; L52-L64 HydrophobicContact CD1-CB 4.27Å; L52-L64 HydrophobicContact CD2-CD1 4.4Å; F60-L64 HydrophobicContact CD1-CD1 4.12Å; F60-L64 HydrophobicContact CE1-CD1 3.58Å; F60-L64 HydrophobicContact CE1-CG 4.11Å; F60-L64 HydrophobicContact CZ-CD1 4.03Å; F60-L64 HydrophobicContact CZ-CD2 4.35Å; F60-L64 HydrophobicContact CZ-CG 4.17Å; F60-L64 WeakPolarHBondContact O-CG 3.32Å; F60-L64 PolarHBondContact O-N 3.02Å; C61-L64 PolarHBondContact O-N 2.81Å; L64-K67 PolarHBondContact O-N 2.96Å; L64-T68 WeakPolarHBondContact O-CB 3.24Å; L64-T68 PolarHBondContact O-N 2.84Å; L64-T68 PolarHBondContact O-OG1 3.08Å |
| 65 | L | 94 | Very high | 90 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 178.4 | -73.1 | 168.5 | 0 | 0 | 0 | 112.1 | L52 C61 Y62 K67 T68 V69 V77 I79 V92 F95 V97 | L52-L65 HydrophobicContact CD1-CD2 3.6Å; L52-L65 HydrophobicContact CD1-CG 3.88Å; C61-L65 WeakPolarHBondContact O-CG 3.4Å; C61-L65 PolarHBondContact O-N 2.85Å; Y62-L65 PolarHBondContact O-N 2.92Å; L65-K67 PolarHBondContact O-N 3.5Å; L65-T68 PolarHBondContact O-N 2.79Å; L65-V69 PolarHBondContact O-N 3.41Å; L65-V77 HydrophobicContact CD2-CB 4.47Å; L65-V77 HydrophobicContact CD2-CG1 3.87Å; L65-V77 HydrophobicContact CD2-CG2 4.34Å; L65-I79 HydrophobicContact CD1-CD1 4.05Å; L65-I79 HydrophobicContact CD2-CD1 4.26Å; L65-V92 HydrophobicContact CD1-CB 3.9Å; L65-V92 HydrophobicContact CD1-CG1 3.7Å; L65-F95 HydrophobicContact CB-CB 3.86Å; L65-F95 HydrophobicContact CB-CD1 4.48Å; L65-F95 HydrophobicContact CB-CD2 3.84Å; L65-F95 HydrophobicContact CB-CG 3.81Å; L65-F95 HydrophobicContact CD1-CD2 4.12Å; L65-F95 HydrophobicContact CD2-CB 4.04Å; L65-F95 HydrophobicContact CG-CB 4.42Å; L65-V97 HydrophobicContact CD2-CG2 3.88Å |
| 66 | Q | 93.3 | Very high | 90.5 | Very high | 87 Ų | 87 | 64.3 Ų | 64.3 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 176.7 | -76.1 | -171.3 | -37.7 | 0 | 0 | 112.5 | Y62 W63 V70 F95 | Y62-Q66 HydrophobicContact CD1-CG 4.03Å; Y62-Q66 HydrophobicContact CE1-CG 3.95Å; Y62-Q66 VanDerWaalsContact CE1-NE2 3.31Å; Y62-Q66 WeakPolarHBondContact O-CB 3.43Å; Y62-Q66 WeakPolarHBondContact O-CG 3.28Å; Y62-Q66 PolarHBondContact O-N 3.44Å; W63-Q66 PolarHBondContact O-N 2.88Å; Q66-V70 VanDerWaalsContact O-CG2 3.28Å; Q66-V70 WeakPolarHBondContact O-CG2 3.43Å; Q66-V70 PolarHBondContact O-N 3.34Å; Q66-F95 HydrophobicContact CG-CE1 3.7Å; Q66-F95 HydrophobicContact CG-CZ 3.82Å |
| 67 | K | 94.9 | Very high | 91.4 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 39% | 0.387 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 176.1 | -75.7 | -69.5 | -175.3 | 176.6 | 0 | 111.8 | W39 W63 L64 L65 V70 Q71 | W39-K67 HydrophobicContact CH2-CB 3.64Å; W39-K67 HydrophobicContact CZ2-CB 3.69Å; W39-K67 HydrophobicContact CZ2-CG 4.35Å; W63-K67 HydrophobicContact CD2-CG 4.38Å; W63-K67 HydrophobicContact CZ2-CG 4.25Å; W63-K67 WeakPolarHBondContact O-CB 3.25Å; W63-K67 WeakPolarHBondContact O-CG 3.48Å; W63-K67 PolarHBondContact O-N 2.78Å; L64-K67 PolarHBondContact O-N 2.96Å; L65-K67 PolarHBondContact O-N 3.5Å; K67-V70 PolarHBondContact O-N 2.7Å; K67-Q71 WeakPolarHBondContact O-CB 3.27Å; K67-Q71 PolarHBondContact O-N 2.94Å |
| 68 | T | 94.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.2 | -51.6 | 179.3 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | W39 L42 L64 L65 V70 Q71 F72 V75 | W39-T68 WeakPolarHBondContact CZ3-OG1 3.18Å; L42-T68 HydrophobicContact CD1-CG2 4.22Å; L64-T68 WeakPolarHBondContact O-CB 3.24Å; L64-T68 PolarHBondContact O-N 2.84Å; L64-T68 PolarHBondContact O-OG1 3.08Å; L65-T68 PolarHBondContact O-N 2.79Å; T68-V70 VanDerWaalsContact C-N 3.28Å; T68-V70 PolarHBondContact O-N 3.26Å; T68-Q71 PolarHBondContact O-N 3.04Å; T68-F72 CarbonylContact O-C 3.58Å; T68-F72 WeakPolarHBondContact O-CA 3.4Å; T68-F72 PolarHBondContact O-N 2.91Å; T68-V75 HydrophobicContact CG2-CB 4.12Å; T68-V75 HydrophobicContact CG2-CG1 3.72Å |
| 69 | V | 91.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 56.4 Ų | 56.4 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -29.9 | -176.8 | 81.6 | 0 | 0 | 0 | 0 | 113 | L65 P73 F95 | L65-V69 PolarHBondContact O-N 3.41Å; V69-P73 WeakPolarHBondContact O-CA 3.33Å; V69-F95 HydrophobicContact CB-CD1 4.36Å; V69-F95 HydrophobicContact CG1-CD1 3.81Å; V69-F95 HydrophobicContact CG1-CE1 4.44Å |
| 70 | V | 92.4 | Very high | 93.4 | Very high | 119 Ų | 119 | 48.8 Ų | 48.8 | 72% | 0.721 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -79.8 | -39.3 | -179.3 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | Q66 K67 T68 | Q66-V70 VanDerWaalsContact O-CG2 3.28Å; Q66-V70 WeakPolarHBondContact O-CG2 3.43Å; Q66-V70 PolarHBondContact O-N 3.34Å; K67-V70 PolarHBondContact O-N 2.7Å; T68-V70 VanDerWaalsContact C-N 3.28Å; T68-V70 PolarHBondContact O-N 3.26Å |
| 71 | Q | 94.5 | Very high | 93.3 | Very high | 103 Ų | 103 | 46.5 Ų | 46.5 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -89.9 | -30.9 | -177.6 | -68.1 | -177.6 | -35.2 | 0 | 0 | 113 | K67 T68 | K67-Q71 WeakPolarHBondContact O-CB 3.27Å; K67-Q71 PolarHBondContact O-N 2.94Å; T68-Q71 PolarHBondContact O-N 3.04Å |
| 72 | F | 95.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | trans | -133.9 | 65.5 | -173.7 | -49.9 | -81.2 | 0 | 0 | 0 | 110.3 | W39 L42 E43 T68 E74 V75 | W39-F72 HydrophobicContact CE3-CD2 4.45Å; W39-F72 AromaticContact CE3-CE2 3.84Å; W39-F72 HydrophobicContact CE3-CE2 3.84Å; W39-F72 HydrophobicContact CZ3-CE2 4.48Å; L42-F72 HydrophobicContact CB-CD1 3.79Å; L42-F72 HydrophobicContact CB-CD2 4.01Å; L42-F72 HydrophobicContact CB-CE1 3.66Å; L42-F72 HydrophobicContact CB-CE2 3.9Å; L42-F72 HydrophobicContact CB-CG 3.97Å; L42-F72 HydrophobicContact CB-CZ 3.72Å; L42-F72 HydrophobicContact CD1-CD2 3.76Å; L42-F72 HydrophobicContact CD1-CE2 4.08Å; L42-F72 HydrophobicContact CD1-CG 4.17Å; E43-F72 HydrophobicContact CG-CE1 4.08Å; E43-F72 HydrophobicContact CG-CZ 4.08Å; T68-F72 CarbonylContact O-C 3.58Å; T68-F72 WeakPolarHBondContact O-CA 3.4Å; T68-F72 PolarHBondContact O-N 2.91Å; F72-E74 PolarHBondContact O-N 3.37Å; F72-V75 HydrophobicContact CB-CB 4.1Å; F72-V75 HydrophobicContact CB-CG2 3.54Å; F72-V75 HydrophobicContact CG-CG2 4.45Å; F72-V75 WeakPolarHBondContact O-CB 3.27Å; F72-V75 PolarHBondContact O-N 2.89Å | ||
| 73 | P | 91.7 | Very high | 91.9 | Very high | 84 Ų | 84 | 53.6 Ų | 53.6 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.9 | -169.6 | 25.6 | -36.1 | 0 | 0 | 0 | 115.4 | V69 N96 | V69-P73 WeakPolarHBondContact O-CA 3.33Å; P73-N96 PolarHBondContact O-ND2 2.8Å |
| 74 | E | 91 | Very high | 90.8 | Very high | 155 Ų | 155 | 51.3 Ų | 51.3 | 72% | 0.724 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -11.1 | 174.8 | -58.6 | -162.5 | 161.6 | 0 | 0 | 113.5 | F72 K76 | F72-E74 PolarHBondContact O-N 3.37Å; E74-K76 PolarHBondContact O-N 3.03Å |
| 75 | V | 94.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | trans | -64.9 | 128.2 | 177.4 | 165.9 | 0 | 0 | 0 | 0 | 109.7 | L42 P46 V50 T68 F72 V77 N96 | L42-V75 HydrophobicContact CD2-CG2 4.24Å; P46-V75 VanDerWaalsContact O-CG2 3.26Å; P46-V75 WeakPolarHBondContact O-CG2 3.22Å; V50-V75 HydrophobicContact CB-CG1 3.78Å; V50-V75 HydrophobicContact CG2-CG1 3.4Å; T68-V75 HydrophobicContact CG2-CB 4.12Å; T68-V75 HydrophobicContact CG2-CG1 3.72Å; F72-V75 HydrophobicContact CB-CB 4.1Å; F72-V75 HydrophobicContact CB-CG2 3.54Å; F72-V75 HydrophobicContact CG-CG2 4.45Å; F72-V75 WeakPolarHBondContact O-CB 3.27Å; F72-V75 PolarHBondContact O-N 2.89Å; V75-V77 HydrophobicContact CG1-CG2 4.42Å; V75-N96 VanDerWaalsContact O-CB 3.29Å; V75-N96 WeakPolarHBondContact O-CB 3.14Å; V75-N96 PolarHBondContact O-ND2 3.03Å | ||
| 76 | K | 95.6 | Very high | 88.1 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 34% | 0.335 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.4 | 173.1 | -59.1 | 176.4 | -169.5 | -178.4 | 0 | 108.3 | L49 V50 E74 L98 A117 A118 | L49-K76 HydrophobicContact CD1-CB 3.86Å; V50-K76 PolarHBondContact N-O 2.81Å; E74-K76 PolarHBondContact O-N 3.03Å; K76-L98 HydrophobicContact CB-CD1 3.94Å; K76-L98 HydrophobicContact CD-CD1 3.73Å; K76-L98 HydrophobicContact CG-CD1 3.85Å; K76-A117 WeakPolarHBondContact CD-O 3.31Å; K76-A118 PolarHBondContact NZ-O 2.73Å |
| 77 | V | 96.9 | Very high | 87 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.5 | -178.7 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | V50 L52 L65 V75 I79 N96 V97 L98 A99 | V50-V77 HydrophobicContact CB-CG2 4.41Å; V50-V77 HydrophobicContact CG1-CG1 4.49Å; V50-V77 CarbonylContact O-C 3.55Å; V50-V77 WeakPolarHBondContact O-CA 3.39Å; L52-V77 HydrophobicContact CD1-CG1 4.16Å; L52-V77 HydrophobicContact CG-CG1 4.15Å; L65-V77 HydrophobicContact CD2-CB 4.47Å; L65-V77 HydrophobicContact CD2-CG1 3.87Å; L65-V77 HydrophobicContact CD2-CG2 4.34Å; V75-V77 HydrophobicContact CG1-CG2 4.42Å; V77-I79 HydrophobicContact CG1-CG1 3.92Å; V77-N96 PolarHBondContact N-O 2.77Å; V77-V97 HydrophobicContact CB-CG2 4.15Å; V77-V97 HydrophobicContact CG1-CG2 4.18Å; V77-V97 CarbonylContact O-C 3.58Å; V77-V97 WeakPolarHBondContact O-CA 3.45Å; V77-L98 PolarHBondContact O-N 3.2Å; V77-A99 PolarHBondContact O-N 3.02Å |
| 78 | L | 96.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137 | 159.6 | -174.1 | 152.7 | 0 | 0 | 0 | 107.4 | L49 V50 M51 L52 T80 A99 V101 A113 V114 | L49-L78 HydrophobicContact CD1-CB 4.44Å; V50-L78 PolarHBondContact O-N 3.33Å; M51-L78 CarbonylContact C-O 3.55Å; M51-L78 VanDerWaalsContact CA-O 3.25Å; M51-L78 WeakPolarHBondContact CA-O 3.49Å; M51-L78 HydrophobicContact CE-CD1 4.37Å; M51-L78 HydrophobicContact CE-CD2 4.11Å; M51-L78 HydrophobicContact CG-CD2 3.8Å; M51-L78 HydrophobicContact SD-CD2 4.24Å; L52-L78 PolarHBondContact N-O 3.45Å; L78-T80 HydrophobicContact CD2-CG2 3.61Å; L78-A99 CarbonylContact C-O 3.5Å; L78-A99 VanDerWaalsContact CA-O 3.28Å; L78-A99 WeakPolarHBondContact CA-O 3.44Å; L78-A99 HydrophobicContact CB-CB 4.03Å; L78-A99 HydrophobicContact CD1-CB 3.66Å; L78-A99 HydrophobicContact CG-CB 3.58Å; L78-V101 HydrophobicContact CD1-CG2 4.11Å; L78-V101 HydrophobicContact CD2-CG2 4.03Å; L78-V101 HydrophobicContact CG-CG2 4.28Å; L78-A113 HydrophobicContact CD1-CB 3.8Å; L78-V114 HydrophobicContact CD1-CG2 4.06Å |
| 79 | I | 94.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.8 | 172.7 | -48.1 | 177.1 | 0 | 0 | 0 | 109.8 | L52 L65 V77 W88 V92 V97 A99 I100 V101 | L52-I79 CarbonylContact O-C 3.49Å; L52-I79 WeakPolarHBondContact O-CA 3.31Å; L52-I79 WeakPolarHBondContact O-CG2 3.43Å; L65-I79 HydrophobicContact CD1-CD1 4.05Å; L65-I79 HydrophobicContact CD2-CD1 4.26Å; V77-I79 HydrophobicContact CG1-CG1 3.92Å; I79-W88 HydrophobicContact CB-CH2 4.36Å; I79-W88 HydrophobicContact CD1-CH2 4.12Å; I79-W88 HydrophobicContact CD1-CZ2 4.22Å; I79-W88 HydrophobicContact CG2-CH2 3.74Å; I79-W88 HydrophobicContact CG2-CZ2 4.23Å; I79-V92 HydrophobicContact CD1-CB 4.33Å; I79-V92 HydrophobicContact CD1-CG2 4.06Å; I79-V97 HydrophobicContact CD1-CG1 3.9Å; I79-V97 HydrophobicContact CD1-CG2 3.76Å; I79-V97 HydrophobicContact CG1-CG1 3.99Å; I79-V97 HydrophobicContact CG1-CG2 4.28Å; I79-A99 PolarHBondContact N-O 3.36Å; I79-I100 HydrophobicContact CB-CD1 4.27Å; I79-I100 HydrophobicContact CB-CG1 4.05Å; I79-I100 HydrophobicContact CB-CG2 4.42Å; I79-I100 HydrophobicContact CD1-CD1 4.21Å; I79-I100 CarbonylContact O-C 3.57Å; I79-I100 VanDerWaalsContact O-CA 3.22Å; I79-I100 WeakPolarHBondContact O-CA 3.26Å; I79-I100 WeakPolarHBondContact O-CG2 3.46Å; I79-V101 PolarHBondContact O-N 3.14Å |
| 80 | T | 93.3 | Very high | 84.6 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.012 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117 | 174.8 | 68.1 | 0 | 0 | 0 | 0 | 108.4 | M51 L52 G54 L78 V101 R103 F110 | M51-T80 HydrophobicContact CG-CG2 3.72Å; M51-T80 HydrophobicContact SD-CG2 3.96Å; L52-T80 PolarHBondContact O-N 3.39Å; L52-T80 PolarHBondContact O-OG1 3.13Å; G54-T80 PolarHBondContact N-O 3.33Å; L78-T80 HydrophobicContact CD2-CG2 3.61Å; T80-V101 WeakPolarHBondContact CA-O 3.47Å; T80-R103 PolarHBondContact OG1-NH2 3.41Å; T80-F110 HydrophobicContact CG2-CE1 3.68Å; T80-F110 HydrophobicContact CG2-CZ 4.44Å |
| 81 | A | 87.5 | Confident | 84 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | trans | -152.1 | 147.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D55 C84 W88 V101 P102 R103 | D55-A81 WeakPolarHBondContact OD1-CA 3.42Å; D55-A81 WeakPolarHBondContact OD2-CA 3.4Å; A81-C84 WeakPolarHBondContact CB-SG 3.42Å; A81-W88 HydrophobicContact CB-CH2 4.14Å; A81-W88 HydrophobicContact CB-CZ3 4.5Å; A81-V101 PolarHBondContact N-O 3.37Å; A81-P102 VanDerWaalsContact O-CA 3.28Å; A81-P102 WeakPolarHBondContact O-CA 3.39Å; A81-R103 PolarHBondContact O-N 3.37Å | ||
| 82 | T | 80.6 | Confident | 83.6 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -90.3 | -37.7 | -172.5 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | D55 | D55-T82 PolarHBondContact OD1-N 3.41Å; D55-T82 WeakPolarHBondContact OD2-CB 3.35Å; D55-T82 PolarHBondContact OD2-N 2.98Å; D55-T82 PolarHBondContact OD2-OG1 3.27Å |
| 83 | D | 69.3 | Low | 83 | Confident | 147 Ų | 147 | 60.1 Ų | 60.1 | 79% | 0.786 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -126.3 | 85.4 | -179.4 | -160.4 | -9.6 | 0 | 0 | 0 | 111.3 | ||
| 84 | C | 68.1 | Low | 82.6 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 33% | 0.331 | 30% | 0.304 | S | S | . | . | trans | -99.4 | 116.4 | -178 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | A81 W88 | A81-C84 WeakPolarHBondContact CB-SG 3.42Å; C84-W88 HydrophobicContact CB-CE3 4.21Å; C84-W88 HydrophobicContact CB-CZ3 4.05Å | ||
| 85 | N | 67.9 | Low | 82.6 | Confident | 91 Ų | 91 | 56.7 Ų | 56.7 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | trans | -96.8 | 158.2 | 170.8 | 75.6 | 64.6 | 0 | 0 | 0 | 112.6 | R87 W88 L89 | N85-R87 VanDerWaalsContact C-N 3.27Å; N85-R87 PolarHBondContact O-N 3.4Å; N85-R87 WeakPolarHBondContact OD1-CA 3.5Å; N85-R87 VanDerWaalsContact OD1-CB 3.3Å; N85-R87 WeakPolarHBondContact OD1-CB 3.43Å; N85-R87 PolarHBondContact OD1-N 3Å; N85-W88 PolarHBondContact O-N 2.93Å; N85-W88 PolarHBondContact OD1-N 2.74Å; N85-L89 PolarHBondContact O-N 3.06Å; N85-L89 VanDerWaalsContact O-N 3.08Å | ||
| 86 | K | 65.1 | Low | 82.4 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -25.8 | -176.3 | -75.5 | 171.8 | 177.7 | 163.5 | 0 | 114.5 | Q90 D127 T130 | K86-Q90 WeakPolarHBondContact O-CG 3.16Å; K86-Q90 PolarHBondContact O-N 3.38Å; K86-D127 WeakPolarHBondContact CE-O 3.49Å; K86-D127 PolarHBondContact NZ-O 2.98Å; K86-T130 VanDerWaalsContact CE-O 3.28Å; K86-T130 WeakPolarHBondContact CE-O 3.14Å; K86-T130 PolarHBondContact NZ-O 3.03Å |
| 87 | R | 69.4 | Low | 82.3 | Confident | 162 Ų | 162 | 56 Ų | 56 | 61% | 0.611 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -71.2 | -49.1 | 176.5 | -179.4 | -170.2 | 173.5 | 106.3 | 12.1 | 110 | N85 L89 Q90 E91 | N85-R87 VanDerWaalsContact C-N 3.27Å; N85-R87 PolarHBondContact O-N 3.4Å; N85-R87 WeakPolarHBondContact OD1-CA 3.5Å; N85-R87 VanDerWaalsContact OD1-CB 3.3Å; N85-R87 WeakPolarHBondContact OD1-CB 3.43Å; N85-R87 PolarHBondContact OD1-N 3Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 3.15Å; R87-Q90 WeakPolarHBondContact O-CB 3.34Å; R87-Q90 PolarHBondContact O-N 3.17Å; R87-E91 WeakPolarHBondContact CG-OE1 3.45Å; R87-E91 IonicContact CZ-OE1 3Å; R87-E91 IonicContact NE-OE1 3.02Å; R87-E91 PolarHBondContact NE-OE1 3.17Å; R87-E91 IonicContact NH2-OE1 3.12Å; R87-E91 PolarHBondContact NH2-OE1 3.38Å; R87-E91 VanDerWaalsContact NH2-OE1 3.17Å; R87-E91 WeakPolarHBondContact O-CG 3.46Å; R87-E91 PolarHBondContact O-N 2.78Å |
| 88 | W | 77.7 | Confident | 82.2 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 175.5 | 178.2 | 78.2 | 0 | 0 | 0 | 111.7 | I79 A81 C84 N85 Q90 E91 V92 I100 | I79-W88 HydrophobicContact CB-CH2 4.36Å; I79-W88 HydrophobicContact CD1-CH2 4.12Å; I79-W88 HydrophobicContact CD1-CZ2 4.22Å; I79-W88 HydrophobicContact CG2-CH2 3.74Å; I79-W88 HydrophobicContact CG2-CZ2 4.23Å; A81-W88 HydrophobicContact CB-CH2 4.14Å; A81-W88 HydrophobicContact CB-CZ3 4.5Å; C84-W88 HydrophobicContact CB-CE3 4.21Å; C84-W88 HydrophobicContact CB-CZ3 4.05Å; N85-W88 PolarHBondContact O-N 2.93Å; N85-W88 PolarHBondContact OD1-N 2.74Å; W88-Q90 PolarHBondContact O-N 3.45Å; W88-E91 PolarHBondContact O-N 2.94Å; W88-E91 VanDerWaalsContact O-N 3.17Å; W88-V92 HydrophobicContact CD2-CG1 4.25Å; W88-V92 HydrophobicContact CG-CG1 4.44Å; W88-V92 HydrophobicContact CZ2-CG1 4.21Å; W88-V92 WeakPolarHBondContact O-CG1 3.37Å; W88-V92 WeakPolarHBondContact O-CG2 3.38Å; W88-V92 PolarHBondContact O-N 3.08Å; W88-I100 HydrophobicContact CE3-CD1 4.26Å; W88-I100 HydrophobicContact CH2-CD1 3.86Å; W88-I100 HydrophobicContact CZ3-CD1 3.44Å; W88-I100 VanDerWaalsContact CZ3-CD1 3.44Å; W88-I100 HydrophobicContact CZ3-CG2 4.38Å |
| 89 | L | 77.2 | Confident | 82.1 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -51.8 | -53.2 | 169.2 | 167 | 61.3 | 0 | 0 | 0 | 112.2 | N85 R87 E91 V92 I93 W128 | N85-L89 PolarHBondContact O-N 3.06Å; N85-L89 VanDerWaalsContact O-N 3.08Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 3.15Å; L89-E91 PolarHBondContact O-N 3.37Å; L89-V92 PolarHBondContact O-N 3.42Å; L89-I93 HydrophobicContact CD1-CB 4.4Å; L89-I93 HydrophobicContact CD1-CD1 4.2Å; L89-I93 WeakPolarHBondContact O-CB 3.3Å; L89-I93 PolarHBondContact O-N 2.96Å; L89-W128 HydrophobicContact CB-CE3 4.19Å; L89-W128 HydrophobicContact CB-CZ3 4.38Å; L89-W128 HydrophobicContact CD1-CE3 3.64Å; L89-W128 HydrophobicContact CD1-CH2 4.03Å; L89-W128 HydrophobicContact CD1-CZ3 3.2Å; L89-W128 HydrophobicContact CD2-CB 4.49Å; L89-W128 HydrophobicContact CD2-CD2 4.1Å; L89-W128 HydrophobicContact CD2-CE3 3.52Å; L89-W128 HydrophobicContact CD2-CZ3 4.04Å; L89-W128 HydrophobicContact CG-CE3 3.93Å; L89-W128 HydrophobicContact CG-CZ3 4.01Å |
| 90 | Q | 76.1 | Confident | 81.9 | Confident | 133 Ų | 133 | 57.8 Ų | 57.8 | 62% | 0.621 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.7 | -32.9 | -179.3 | -73.1 | 177.2 | -23.8 | 0 | 0 | 112 | K86 R87 W88 H94 | K86-Q90 WeakPolarHBondContact O-CG 3.16Å; K86-Q90 PolarHBondContact O-N 3.38Å; R87-Q90 WeakPolarHBondContact O-CB 3.34Å; R87-Q90 PolarHBondContact O-N 3.17Å; W88-Q90 PolarHBondContact O-N 3.45Å; Q90-H94 PolarHBondContact O-CE1 3.38Å; Q90-H94 PolarHBondContact O-ND1 2.88Å; Q90-H94 VanDerWaalsContact O-ND1 3.12Å |
| 91 | E | 80.3 | Confident | 81.8 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 176.3 | -70.4 | 166.3 | 174.1 | 0 | 0 | 111.6 | R87 W88 L89 F95 | R87-E91 WeakPolarHBondContact CG-OE1 3.45Å; R87-E91 IonicContact CZ-OE1 3Å; R87-E91 IonicContact NE-OE1 3.02Å; R87-E91 PolarHBondContact NE-OE1 3.17Å; R87-E91 IonicContact NH2-OE1 3.12Å; R87-E91 PolarHBondContact NH2-OE1 3.38Å; R87-E91 VanDerWaalsContact NH2-OE1 3.17Å; R87-E91 WeakPolarHBondContact O-CG 3.46Å; R87-E91 PolarHBondContact O-N 2.78Å; W88-E91 PolarHBondContact O-N 2.94Å; W88-E91 VanDerWaalsContact O-N 3.17Å; L89-E91 PolarHBondContact O-N 3.37Å; E91-F95 WeakPolarHBondContact O-CE2 3.31Å |
| 92 | V | 85.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -91.2 | -22.5 | -175.8 | -56.4 | 0 | 0 | 0 | 0 | 116 | L65 I79 W88 L89 H94 F95 V97 I100 | L65-V92 HydrophobicContact CD1-CB 3.9Å; L65-V92 HydrophobicContact CD1-CG1 3.7Å; I79-V92 HydrophobicContact CD1-CB 4.33Å; I79-V92 HydrophobicContact CD1-CG2 4.06Å; W88-V92 HydrophobicContact CD2-CG1 4.25Å; W88-V92 HydrophobicContact CG-CG1 4.44Å; W88-V92 HydrophobicContact CZ2-CG1 4.21Å; W88-V92 WeakPolarHBondContact O-CG1 3.37Å; W88-V92 WeakPolarHBondContact O-CG2 3.38Å; W88-V92 PolarHBondContact O-N 3.08Å; L89-V92 PolarHBondContact O-N 3.42Å; V92-H94 PolarHBondContact O-N 3.29Å; V92-F95 HydrophobicContact CB-CD2 4.48Å; V92-F95 WeakPolarHBondContact O-CD2 3.5Å; V92-F95 PolarHBondContact O-N 2.82Å; V92-V97 HydrophobicContact CB-CG2 4.32Å; V92-V97 HydrophobicContact CG2-CG2 4.37Å; V92-V97 VanDerWaalsContact O-CG2 3.27Å; V92-V97 WeakPolarHBondContact O-CG2 3.22Å; V92-I100 HydrophobicContact CG2-CD1 4.1Å |
| 93 | I | 83.6 | Confident | 82.3 | Confident | 59 Ų | 59 | 57 Ų | 57 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.8 | -171.7 | -160.1 | 163.2 | 0 | 0 | 0 | 114 | L89 F95 M122 | L89-I93 HydrophobicContact CD1-CB 4.4Å; L89-I93 HydrophobicContact CD1-CD1 4.2Å; L89-I93 WeakPolarHBondContact O-CB 3.3Å; L89-I93 PolarHBondContact O-N 2.96Å; I93-F95 VanDerWaalsContact C-N 3.25Å; I93-F95 PolarHBondContact O-N 3.39Å; I93-M122 HydrophobicContact CD1-CE 3.88Å |
| 94 | H | 83.6 | Confident | 83.1 | Confident | 142 Ų | 142 | 56.5 Ų | 56.5 | 66% | 0.657 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -9.6 | 177.9 | -52.6 | 104 | 0 | 0 | 0 | 114.2 | Q90 V92 | Q90-H94 PolarHBondContact O-CE1 3.38Å; Q90-H94 PolarHBondContact O-ND1 2.88Å; Q90-H94 VanDerWaalsContact O-ND1 3.12Å; V92-H94 PolarHBondContact O-N 3.29Å |
| 95 | F | 90.4 | Very high | 84.2 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -100.7 | 45 | -179.1 | -54.4 | -66 | 0 | 0 | 0 | 112.9 | Y62 L65 Q66 V69 E91 V92 I93 V97 | Y62-F95 HydrophobicContact CD2-CE2 4.03Å; Y62-F95 HydrophobicContact CE1-CZ 4.21Å; Y62-F95 AromaticContact CE2-CE2 3.46Å; Y62-F95 HydrophobicContact CE2-CE2 3.46Å; Y62-F95 VanDerWaalsContact CE2-CE2 3.46Å; Y62-F95 AromaticContact CE2-CZ 3.88Å; Y62-F95 HydrophobicContact CE2-CZ 3.88Å; Y62-F95 AromaticContact CZ-CE2 3.75Å; Y62-F95 AromaticContact CZ-CZ 3.63Å; L65-F95 HydrophobicContact CB-CB 3.86Å; L65-F95 HydrophobicContact CB-CD1 4.48Å; L65-F95 HydrophobicContact CB-CD2 3.84Å; L65-F95 HydrophobicContact CB-CG 3.81Å; L65-F95 HydrophobicContact CD1-CD2 4.12Å; L65-F95 HydrophobicContact CD2-CB 4.04Å; L65-F95 HydrophobicContact CG-CB 4.42Å; Q66-F95 HydrophobicContact CG-CE1 3.7Å; Q66-F95 HydrophobicContact CG-CZ 3.82Å; V69-F95 HydrophobicContact CB-CD1 4.36Å; V69-F95 HydrophobicContact CG1-CD1 3.81Å; V69-F95 HydrophobicContact CG1-CE1 4.44Å; E91-F95 WeakPolarHBondContact O-CE2 3.31Å; V92-F95 HydrophobicContact CB-CD2 4.48Å; V92-F95 WeakPolarHBondContact O-CD2 3.5Å; V92-F95 PolarHBondContact O-N 2.82Å; I93-F95 VanDerWaalsContact C-N 3.25Å; I93-F95 PolarHBondContact O-N 3.39Å; F95-V97 HydrophobicContact CB-CG2 4.44Å; F95-V97 PolarHBondContact O-N 2.91Å; F95-V97 VanDerWaalsContact O-N 3.1Å |
| 96 | N | 92 | Very high | 85.4 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 53.6 | 27.6 | -175.8 | -64.2 | -12.5 | 0 | 0 | 0 | 114.6 | P73 V75 V77 L98 | P73-N96 PolarHBondContact O-ND2 2.8Å; V75-N96 VanDerWaalsContact O-CB 3.29Å; V75-N96 WeakPolarHBondContact O-CB 3.14Å; V75-N96 PolarHBondContact O-ND2 3.03Å; V77-N96 PolarHBondContact N-O 2.77Å; N96-L98 PolarHBondContact O-N 2.93Å; N96-L98 VanDerWaalsContact O-N 3.11Å |
| 97 | V | 93.5 | Very high | 86.7 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 101.5 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | L65 V77 I79 V92 F95 I100 | L65-V97 HydrophobicContact CD2-CG2 3.88Å; V77-V97 HydrophobicContact CB-CG2 4.15Å; V77-V97 HydrophobicContact CG1-CG2 4.18Å; V77-V97 CarbonylContact O-C 3.58Å; V77-V97 WeakPolarHBondContact O-CA 3.45Å; I79-V97 HydrophobicContact CD1-CG1 3.9Å; I79-V97 HydrophobicContact CD1-CG2 3.76Å; I79-V97 HydrophobicContact CG1-CG1 3.99Å; I79-V97 HydrophobicContact CG1-CG2 4.28Å; V92-V97 HydrophobicContact CB-CG2 4.32Å; V92-V97 HydrophobicContact CG2-CG2 4.37Å; V92-V97 VanDerWaalsContact O-CG2 3.27Å; V92-V97 WeakPolarHBondContact O-CG2 3.22Å; F95-V97 HydrophobicContact CB-CG2 4.44Å; F95-V97 PolarHBondContact O-N 2.91Å; F95-V97 VanDerWaalsContact O-N 3.1Å; V97-I100 HydrophobicContact CG1-CD1 4.18Å; V97-I100 HydrophobicContact CG1-CG1 3.86Å |
| 98 | L | 93.8 | Very high | 87.9 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -16 | 178.9 | -61.9 | -175.4 | 0 | 0 | 0 | 112.7 | K76 V77 N96 A117 M122 F123 | K76-L98 HydrophobicContact CB-CD1 3.94Å; K76-L98 HydrophobicContact CD-CD1 3.73Å; K76-L98 HydrophobicContact CG-CD1 3.85Å; V77-L98 PolarHBondContact O-N 3.2Å; N96-L98 PolarHBondContact O-N 2.93Å; N96-L98 VanDerWaalsContact O-N 3.11Å; L98-A117 HydrophobicContact CB-CB 4.07Å; L98-A117 WeakPolarHBondContact CD1-O 3.41Å; L98-M122 CarbonylContact O-C 3.59Å; L98-M122 WeakPolarHBondContact O-CA 3.37Å; L98-F123 PolarHBondContact O-N 2.88Å |
| 99 | A | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 142.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V77 L78 I79 A117 F123 | V77-A99 PolarHBondContact O-N 3.02Å; L78-A99 CarbonylContact C-O 3.5Å; L78-A99 VanDerWaalsContact CA-O 3.28Å; L78-A99 WeakPolarHBondContact CA-O 3.44Å; L78-A99 HydrophobicContact CB-CB 4.03Å; L78-A99 HydrophobicContact CD1-CB 3.66Å; L78-A99 HydrophobicContact CG-CB 3.58Å; I79-A99 PolarHBondContact N-O 3.36Å; A99-A117 HydrophobicContact CB-CB 4.1Å; A99-F123 WeakPolarHBondContact CA-O 3.37Å; A99-F123 HydrophobicContact CB-CB 3.77Å |
| 100 | I | 91.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.4 | 159.9 | -53.3 | -168.3 | 0 | 0 | 0 | 108.4 | I79 W88 V92 V97 F123 P125 W128 | I79-I100 HydrophobicContact CB-CD1 4.27Å; I79-I100 HydrophobicContact CB-CG1 4.05Å; I79-I100 HydrophobicContact CB-CG2 4.42Å; I79-I100 HydrophobicContact CD1-CD1 4.21Å; I79-I100 CarbonylContact O-C 3.57Å; I79-I100 VanDerWaalsContact O-CA 3.22Å; I79-I100 WeakPolarHBondContact O-CA 3.26Å; I79-I100 WeakPolarHBondContact O-CG2 3.46Å; W88-I100 HydrophobicContact CE3-CD1 4.26Å; W88-I100 HydrophobicContact CH2-CD1 3.86Å; W88-I100 HydrophobicContact CZ3-CD1 3.44Å; W88-I100 VanDerWaalsContact CZ3-CD1 3.44Å; W88-I100 HydrophobicContact CZ3-CG2 4.38Å; V92-I100 HydrophobicContact CG2-CD1 4.1Å; V97-I100 HydrophobicContact CG1-CD1 4.18Å; V97-I100 HydrophobicContact CG1-CG1 3.86Å; I100-F123 PolarHBondContact N-O 3.45Å; I100-P125 WeakPolarHBondContact O-CD 3.45Å; I100-W128 HydrophobicContact CB-CH2 3.33Å; I100-W128 HydrophobicContact CB-CZ2 4.11Å; I100-W128 HydrophobicContact CB-CZ3 3.59Å; I100-W128 HydrophobicContact CD1-CH2 4.06Å; I100-W128 HydrophobicContact CD1-CZ3 3.62Å; I100-W128 HydrophobicContact CG1-CH2 3.49Å; I100-W128 VanDerWaalsContact CG1-CH2 3.49Å; I100-W128 HydrophobicContact CG1-CZ3 3.6Å |
| 101 | V | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 123.4 | -176.6 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | L78 I79 T80 A81 R103 T109 F110 A113 F123 | L78-V101 HydrophobicContact CD1-CG2 4.11Å; L78-V101 HydrophobicContact CD2-CG2 4.03Å; L78-V101 HydrophobicContact CG-CG2 4.28Å; I79-V101 PolarHBondContact O-N 3.14Å; T80-V101 WeakPolarHBondContact CA-O 3.47Å; A81-V101 PolarHBondContact N-O 3.37Å; V101-R103 PolarHBondContact O-N 3.35Å; V101-T109 HydrophobicContact CG1-CG2 4.34Å; V101-F110 HydrophobicContact CB-CD1 4.15Å; V101-F110 HydrophobicContact CB-CE1 3.84Å; V101-F110 HydrophobicContact CB-CZ 4.21Å; V101-F110 HydrophobicContact CG1-CD1 3.76Å; V101-F110 HydrophobicContact CG1-CD2 3.99Å; V101-F110 HydrophobicContact CG1-CE1 3.6Å; V101-F110 HydrophobicContact CG1-CE2 3.84Å; V101-F110 HydrophobicContact CG1-CG 3.95Å; V101-F110 HydrophobicContact CG1-CZ 3.64Å; V101-F110 HydrophobicContact CG2-CD1 4.42Å; V101-A113 HydrophobicContact CG2-CB 3.33Å; V101-F123 HydrophobicContact CG2-CD1 4.25Å; V101-F123 HydrophobicContact CG2-CE1 4.44Å |
| 102 | P | 88.2 | Confident | 91.1 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | trans | -54.7 | 132.8 | 170.5 | -26.7 | 34.6 | 0 | 0 | 0 | 111.4 | A81 D104 S105 | A81-P102 VanDerWaalsContact O-CA 3.28Å; A81-P102 WeakPolarHBondContact O-CA 3.39Å; P102-D104 WeakPolarHBondContact CB-OD1 3.4Å; P102-D104 PolarHBondContact O-N 2.89Å; P102-S105 WeakPolarHBondContact CB-OG 3.32Å; P102-S105 WeakPolarHBondContact CD-OG 3.48Å; P102-S105 WeakPolarHBondContact O-CB 3.48Å; P102-S105 PolarHBondContact O-N 3.13Å; P102-S105 PolarHBondContact O-OG 3.03Å | ||
| 103 | R | 89.4 | Confident | 91.6 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.9 | -176 | -77.6 | -163.5 | 174.7 | -99 | -3.3 | 114.7 | D7 F12 D53 D55 T80 A81 V101 S105 | D7-R103 IonicContact OD2-CZ 3.61Å; D7-R103 VanDerWaalsContact OD2-CZ 3.26Å; D7-R103 IonicContact OD2-NH1 2.7Å; D7-R103 PolarHBondContact OD2-NH1 3.44Å; D7-R103 IonicContact OD2-NH2 3.41Å; D7-R103 PolarHBondContact OD2-NH2 3.01Å; F12-R103 VanDerWaalsContact CZ-NH1 3.3Å; D53-R103 IonicContact OD1-CZ 2.78Å; D53-R103 IonicContact OD1-NE 2.8Å; D53-R103 IonicContact OD1-NH2 2.77Å; D53-R103 PolarHBondContact OD1-NH2 2.89Å; D53-R103 IonicContact OD2-NH2 3.26Å; D53-R103 PolarHBondContact OD2-NH2 3.37Å; D55-R103 WeakPolarHBondContact OD2-CD 3.4Å; D55-R103 IonicContact OD2-NE 3.8Å; D55-R103 PolarHBondContact OD2-NE 3.1Å; T80-R103 PolarHBondContact OG1-NH2 3.41Å; A81-R103 PolarHBondContact O-N 3.37Å; V101-R103 PolarHBondContact O-N 3.35Å; R103-S105 VanDerWaalsContact C-N 3.28Å |
| 104 | D | 86.7 | Confident | 92.2 | Very high | 137 Ų | 137 | 41.4 Ų | 41.4 | 73% | 0.733 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -1.2 | 174.8 | 65.1 | -26.4 | 0 | 0 | 0 | 113.3 | P102 | P102-D104 WeakPolarHBondContact CB-OD1 3.4Å; P102-D104 PolarHBondContact O-N 2.89Å |
| 105 | S | 90 | Very high | 92.8 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -61.6 | 149.3 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | P102 R103 F110 | P102-S105 WeakPolarHBondContact CB-OG 3.32Å; P102-S105 WeakPolarHBondContact CD-OG 3.48Å; P102-S105 WeakPolarHBondContact O-CB 3.48Å; P102-S105 PolarHBondContact O-N 3.13Å; P102-S105 PolarHBondContact O-OG 3.03Å; R103-S105 VanDerWaalsContact C-N 3.28Å; S105-F110 WeakPolarHBondContact O-CE2 3.38Å |
| 106 | T | 92.6 | Very high | 93.1 | Very high | 76 Ų | 76 | 37.8 Ų | 37.8 | 47% | 0.466 | 21% | 0.209 | S | C | . | . | trans | -67.9 | 156.9 | 176.7 | 81.7 | 0 | 0 | 0 | 0 | 112.3 | E108 T109 F110 | T106-E108 WeakPolarHBondContact CB-OE2 3.39Å; T106-E108 PolarHBondContact O-N 3.48Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-E108 PolarHBondContact OG1-OE2 2.89Å; T106-T109 WeakPolarHBondContact O-CA 3.3Å; T106-T109 VanDerWaalsContact O-CB 3.3Å; T106-T109 WeakPolarHBondContact O-CB 3.49Å; T106-T109 PolarHBondContact O-N 2.92Å; T106-T109 PolarHBondContact OG1-N 3.38Å; T106-T109 PolarHBondContact OG1-OG1 3.47Å; T106-F110 WeakPolarHBondContact O-CD2 3.38Å; T106-F110 PolarHBondContact O-N 2.74Å; T106-F110 VanDerWaalsContact O-N 3.08Å | ||
| 107 | V | 94.4 | Very high | 93.2 | Very high | 43 Ų | 43 | 35 Ų | 35 | 26% | 0.261 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.2 | -31 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | R23 F110 A111 | R23-V107 HydrophobicContact CG-CG1 4.32Å; V107-F110 PolarHBondContact O-N 3Å; V107-A111 WeakPolarHBondContact O-CB 3.36Å; V107-A111 PolarHBondContact O-N 3.47Å |
| 108 | E | 93.9 | Very high | 93.2 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.2 | -41.1 | 176.3 | -54.9 | 66.9 | -136.8 | 0 | 0 | 110.9 | R23 T106 A111 L112 | R23-E108 IonicContact CZ-OE1 3.17Å; R23-E108 IonicContact NE-OE1 3.39Å; R23-E108 PolarHBondContact NE-OE1 3.38Å; R23-E108 IonicContact NH2-OE1 2.63Å; R23-E108 PolarHBondContact NH2-OE1 3.44Å; T106-E108 WeakPolarHBondContact CB-OE2 3.39Å; T106-E108 PolarHBondContact O-N 3.48Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-E108 PolarHBondContact OG1-OE2 2.89Å; E108-A111 PolarHBondContact O-N 3.26Å; E108-L112 WeakPolarHBondContact O-CB 2.99Å; E108-L112 VanDerWaalsContact O-CG 3.32Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 3.44Å |
| 109 | T | 93.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 174.3 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | V101 T106 A111 L112 A113 F123 | V101-T109 HydrophobicContact CG1-CG2 4.34Å; T106-T109 WeakPolarHBondContact O-CA 3.3Å; T106-T109 VanDerWaalsContact O-CB 3.3Å; T106-T109 WeakPolarHBondContact O-CB 3.49Å; T106-T109 PolarHBondContact O-N 2.92Å; T106-T109 PolarHBondContact OG1-N 3.38Å; T106-T109 PolarHBondContact OG1-OG1 3.47Å; T109-A111 PolarHBondContact O-N 2.89Å; T109-L112 PolarHBondContact O-N 3.44Å; T109-A113 WeakPolarHBondContact O-CB 3.06Å; T109-A113 PolarHBondContact O-N 2.98Å; T109-F123 HydrophobicContact CG2-CE1 4.1Å; T109-F123 HydrophobicContact CG2-CZ 3.91Å |
| 110 | F | 95.3 | Very high | 93 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 172.5 | -85.3 | -81.1 | 0 | 0 | 0 | 112.6 | F12 M16 L20 T80 V101 S105 T106 V107 A113 V114 | F12-F110 HydrophobicContact CZ-CZ 4.28Å; M16-F110 HydrophobicContact CE-CB 3.82Å; M16-F110 HydrophobicContact CE-CD1 3.41Å; M16-F110 VanDerWaalsContact CE-CD1 3.41Å; M16-F110 HydrophobicContact CE-CD2 4.1Å; M16-F110 HydrophobicContact CE-CE1 3.93Å; M16-F110 HydrophobicContact CE-CG 3.51Å; M16-F110 HydrophobicContact CE-CZ 4.47Å; M16-F110 HydrophobicContact SD-CG 4.47Å; L20-F110 HydrophobicContact CD2-CB 4.16Å; T80-F110 HydrophobicContact CG2-CE1 3.68Å; T80-F110 HydrophobicContact CG2-CZ 4.44Å; V101-F110 HydrophobicContact CB-CD1 4.15Å; V101-F110 HydrophobicContact CB-CE1 3.84Å; V101-F110 HydrophobicContact CB-CZ 4.21Å; V101-F110 HydrophobicContact CG1-CD1 3.76Å; V101-F110 HydrophobicContact CG1-CD2 3.99Å; V101-F110 HydrophobicContact CG1-CE1 3.6Å; V101-F110 HydrophobicContact CG1-CE2 3.84Å; V101-F110 HydrophobicContact CG1-CG 3.95Å; V101-F110 HydrophobicContact CG1-CZ 3.64Å; V101-F110 HydrophobicContact CG2-CD1 4.42Å; S105-F110 WeakPolarHBondContact O-CE2 3.38Å; T106-F110 WeakPolarHBondContact O-CD2 3.38Å; T106-F110 PolarHBondContact O-N 2.74Å; T106-F110 VanDerWaalsContact O-N 3.08Å; V107-F110 PolarHBondContact O-N 3Å; F110-A113 PolarHBondContact O-N 3.16Å; F110-V114 WeakPolarHBondContact O-CB 3.44Å; F110-V114 WeakPolarHBondContact O-CG2 3.42Å; F110-V114 PolarHBondContact O-N 3Å |
| 111 | A | 96 | Very high | 93.1 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L20 R23 I24 V107 E108 T109 N115 | L20-A111 HydrophobicContact CD2-CB 4.1Å; R23-A111 HydrophobicContact CB-CB 4.15Å; I24-A111 HydrophobicContact CD1-CB 4.18Å; I24-A111 HydrophobicContact CG1-CB 4.19Å; V107-A111 WeakPolarHBondContact O-CB 3.36Å; V107-A111 PolarHBondContact O-N 3.47Å; E108-A111 PolarHBondContact O-N 3.26Å; T109-A111 PolarHBondContact O-N 2.89Å; A111-N115 WeakPolarHBondContact O-CB 3.31Å; A111-N115 PolarHBondContact O-N 3.17Å; A111-N115 PolarHBondContact O-ND2 3.08Å |
| 112 | L | 94.5 | Very high | 93.1 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 55% | 0.55 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 171.9 | -74.1 | 166.5 | 0 | 0 | 0 | 111.6 | E108 T109 S116 F123 | E108-L112 WeakPolarHBondContact O-CB 2.99Å; E108-L112 VanDerWaalsContact O-CG 3.32Å; E108-L112 WeakPolarHBondContact O-CG 3.42Å; E108-L112 PolarHBondContact O-N 3.44Å; T109-L112 PolarHBondContact O-N 3.44Å; L112-S116 VanDerWaalsContact O-CB 3.31Å; L112-S116 WeakPolarHBondContact O-CB 3.48Å; L112-S116 PolarHBondContact O-N 2.76Å; L112-S116 PolarHBondContact O-OG 3.14Å; L112-F123 HydrophobicContact CB-CE2 3.98Å |
| 113 | A | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L78 V101 T109 F110 S116 A117 F123 | L78-A113 HydrophobicContact CD1-CB 3.8Å; V101-A113 HydrophobicContact CG2-CB 3.33Å; T109-A113 WeakPolarHBondContact O-CB 3.06Å; T109-A113 PolarHBondContact O-N 2.98Å; F110-A113 PolarHBondContact O-N 3.16Å; A113-S116 PolarHBondContact O-N 3.39Å; A113-A117 WeakPolarHBondContact O-CB 3.24Å; A113-A117 PolarHBondContact O-N 3.06Å; A113-F123 HydrophobicContact CB-CB 3.89Å; A113-F123 HydrophobicContact CB-CD1 3.32Å; A113-F123 HydrophobicContact CB-CD2 4.06Å; A113-F123 HydrophobicContact CB-CE1 3.82Å; A113-F123 HydrophobicContact CB-CE2 4.47Å; A113-F123 HydrophobicContact CB-CG 3.45Å; A113-F123 VanDerWaalsContact CB-CG 3.45Å; A113-F123 HydrophobicContact CB-CZ 4.37Å |
| 114 | V | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 176 | 163.7 | 0 | 0 | 0 | 0 | 111.2 | M1 I3 L20 I24 L49 M51 L78 F110 S116 A117 A118 | M1-V114 HydrophobicContact CE-CG1 3.47Å; M1-V114 VanDerWaalsContact CE-CG1 3.47Å; M1-V114 HydrophobicContact SD-CG1 4.29Å; I3-V114 HydrophobicContact CD1-CG1 3.57Å; I3-V114 HydrophobicContact CD1-CG2 4.18Å; L20-V114 HydrophobicContact CD1-CG2 4.19Å; I24-V114 HydrophobicContact CD1-CB 4.01Å; I24-V114 HydrophobicContact CD1-CG1 3.53Å; L49-V114 HydrophobicContact CD2-CB 4.34Å; L49-V114 HydrophobicContact CD2-CG1 4.06Å; L49-V114 HydrophobicContact CD2-CG2 4.3Å; M51-V114 HydrophobicContact CE-CG2 3.46Å; M51-V114 VanDerWaalsContact CE-CG2 3.46Å; L78-V114 HydrophobicContact CD1-CG2 4.06Å; F110-V114 WeakPolarHBondContact O-CB 3.44Å; F110-V114 WeakPolarHBondContact O-CG2 3.42Å; F110-V114 PolarHBondContact O-N 3Å; V114-S116 PolarHBondContact O-N 3.42Å; V114-A117 PolarHBondContact O-N 3.28Å; V114-A118 VanDerWaalsContact O-CB 3.29Å; V114-A118 WeakPolarHBondContact O-CB 3.28Å; V114-A118 PolarHBondContact O-N 2.88Å |
| 115 | N | 95.8 | Very high | 92.4 | Very high | 65 Ų | 65 | 46 Ų | 46 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 179.8 | -73.1 | -37.8 | 0 | 0 | 0 | 112.2 | A111 M119 | A111-N115 WeakPolarHBondContact O-CB 3.31Å; A111-N115 PolarHBondContact O-N 3.17Å; A111-N115 PolarHBondContact O-ND2 3.08Å; N115-M119 WeakPolarHBondContact O-CG 3.13Å; N115-M119 PolarHBondContact O-N 3.41Å |
| 116 | S | 95.6 | Very high | 91.2 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 18% | 0.175 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -51.1 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | L112 A113 V114 A118 M119 G120 M121 | L112-S116 VanDerWaalsContact O-CB 3.31Å; L112-S116 WeakPolarHBondContact O-CB 3.48Å; L112-S116 PolarHBondContact O-N 2.76Å; L112-S116 PolarHBondContact O-OG 3.14Å; A113-S116 PolarHBondContact O-N 3.39Å; V114-S116 PolarHBondContact O-N 3.42Å; S116-A118 VanDerWaalsContact C-N 3.33Å; S116-A118 PolarHBondContact O-N 3.02Å; S116-M119 CarbonylContact O-C 3.55Å; S116-M119 PolarHBondContact O-N 2.7Å; S116-M119 VanDerWaalsContact O-N 3.14Å; S116-G120 PolarHBondContact O-N 3.28Å; S116-M121 CarbonylContact C-O 3.22Å; S116-M121 VanDerWaalsContact C-O 3.32Å; S116-M121 WeakPolarHBondContact O-CA 3.28Å; S116-M121 WeakPolarHBondContact O-CB 3.33Å; S116-M121 PolarHBondContact O-N 3.38Å |
| 117 | A | 95.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L49 K76 L98 A99 A113 V114 M119 G120 M121 | L49-A117 HydrophobicContact CD1-CB 3.78Å; L49-A117 HydrophobicContact CD2-CB 4.29Å; K76-A117 WeakPolarHBondContact CD-O 3.31Å; L98-A117 HydrophobicContact CB-CB 4.07Å; L98-A117 WeakPolarHBondContact CD1-O 3.41Å; A99-A117 HydrophobicContact CB-CB 4.1Å; A113-A117 WeakPolarHBondContact O-CB 3.24Å; A113-A117 PolarHBondContact O-N 3.06Å; V114-A117 PolarHBondContact O-N 3.28Å; A117-M119 VanDerWaalsContact C-N 3.29Å; A117-M119 PolarHBondContact O-N 3.04Å; A117-G120 WeakPolarHBondContact O-CA 3.42Å; A117-G120 PolarHBondContact O-N 2.65Å; A117-M121 PolarHBondContact N-O 2.91Å |
| 118 | A | 92.5 | Very high | 88.1 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.3 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 K76 V114 S116 G120 | M1-A118 HydrophobicContact SD-CB 3.37Å; M1-A118 WeakPolarHBondContact SD-CB 3.3Å; K76-A118 PolarHBondContact NZ-O 2.73Å; V114-A118 VanDerWaalsContact O-CB 3.29Å; V114-A118 WeakPolarHBondContact O-CB 3.28Å; V114-A118 PolarHBondContact O-N 2.88Å; S116-A118 VanDerWaalsContact C-N 3.33Å; S116-A118 PolarHBondContact O-N 3.02Å; A118-G120 PolarHBondContact O-N 2.9Å |
| 119 | M | 92.3 | Very high | 86.1 | Confident | 143 Ų | 143 | 52.5 Ų | 52.5 | 70% | 0.704 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 0.3 | 174.3 | -67.4 | 178.5 | 68.3 | 0 | 0 | 114.2 | N115 S116 A117 M121 | N115-M119 WeakPolarHBondContact O-CG 3.13Å; N115-M119 PolarHBondContact O-N 3.41Å; S116-M119 CarbonylContact O-C 3.55Å; S116-M119 PolarHBondContact O-N 2.7Å; S116-M119 VanDerWaalsContact O-N 3.14Å; A117-M119 VanDerWaalsContact C-N 3.29Å; A117-M119 PolarHBondContact O-N 3.04Å; M119-M121 VanDerWaalsContact C-N 3.32Å; M119-M121 HydrophobicContact CB-CE 4.21Å; M119-M121 HydrophobicContact CB-CG 4.37Å; M119-M121 HydrophobicContact CE-CE 4.11Å; M119-M121 HydrophobicContact SD-CE 4.01Å |
| 120 | G | 91.8 | Very high | 83.6 | Confident | 39 Ų | 39 | 54.3 Ų | 54.3 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 8.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S116 A117 A118 | S116-G120 PolarHBondContact O-N 3.28Å; A117-G120 WeakPolarHBondContact O-CA 3.42Å; A117-G120 PolarHBondContact O-N 2.65Å; A118-G120 PolarHBondContact O-N 2.9Å |
| 121 | M | 93 | Very high | 81.2 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 47% | 0.468 | 33% | 0.33 | S | S | . | . | trans | -93.5 | 143.1 | -178.2 | -61.9 | -167.1 | -64.5 | 0 | 0 | 111.9 | S116 A117 M119 F123 | S116-M121 CarbonylContact C-O 3.22Å; S116-M121 VanDerWaalsContact C-O 3.32Å; S116-M121 WeakPolarHBondContact O-CA 3.28Å; S116-M121 WeakPolarHBondContact O-CB 3.33Å; S116-M121 PolarHBondContact O-N 3.38Å; A117-M121 PolarHBondContact N-O 2.91Å; M119-M121 VanDerWaalsContact C-N 3.32Å; M119-M121 HydrophobicContact CB-CE 4.21Å; M119-M121 HydrophobicContact CB-CG 4.37Å; M119-M121 HydrophobicContact CE-CE 4.11Å; M119-M121 HydrophobicContact SD-CE 4.01Å; M121-F123 PolarHBondContact O-N 3.07Å | ||
| 122 | M | 90.8 | Very high | 78.7 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 48% | 0.478 | 34% | 0.336 | S | S | . | . | trans | -72.9 | 106.1 | 179.1 | -86.7 | 175 | 67.3 | 0 | 0 | 112.3 | I93 L98 L124 R129 | I93-M122 HydrophobicContact CD1-CE 3.88Å; L98-M122 CarbonylContact O-C 3.59Å; L98-M122 WeakPolarHBondContact O-CA 3.37Å; M122-L124 HydrophobicContact CB-CD2 3.68Å; M122-L124 HydrophobicContact CB-CG 4.3Å; M122-L124 HydrophobicContact CE-CD1 3.89Å; M122-L124 HydrophobicContact CE-CD2 3.73Å; M122-L124 HydrophobicContact CE-CG 3.98Å; M122-L124 HydrophobicContact CG-CD2 4.21Å; M122-L124 PolarHBondContact O-N 3.44Å; M122-R129 PolarHBondContact O-NH2 2.87Å | ||
| 123 | F | 92.3 | Very high | 76.3 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 108.4 | 171 | -172.7 | -92.2 | 0 | 0 | 0 | 111.6 | L98 A99 I100 V101 T109 L112 A113 M121 P125 | L98-F123 PolarHBondContact O-N 2.88Å; A99-F123 WeakPolarHBondContact CA-O 3.37Å; A99-F123 HydrophobicContact CB-CB 3.77Å; I100-F123 PolarHBondContact N-O 3.45Å; V101-F123 HydrophobicContact CG2-CD1 4.25Å; V101-F123 HydrophobicContact CG2-CE1 4.44Å; T109-F123 HydrophobicContact CG2-CE1 4.1Å; T109-F123 HydrophobicContact CG2-CZ 3.91Å; L112-F123 HydrophobicContact CB-CE2 3.98Å; A113-F123 HydrophobicContact CB-CB 3.89Å; A113-F123 HydrophobicContact CB-CD1 3.32Å; A113-F123 HydrophobicContact CB-CD2 4.06Å; A113-F123 HydrophobicContact CB-CE1 3.82Å; A113-F123 HydrophobicContact CB-CE2 4.47Å; A113-F123 HydrophobicContact CB-CG 3.45Å; A113-F123 VanDerWaalsContact CB-CG 3.45Å; A113-F123 HydrophobicContact CB-CZ 4.37Å; M121-F123 PolarHBondContact O-N 3.07Å; F123-P125 HydrophobicContact CE1-CG 4.28Å |
| 124 | L | 84.9 | Confident | 73.9 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | trans | -128.3 | 117 | -173.6 | -70.8 | -115.8 | 0 | 0 | 0 | 109.5 | M122 W128 R129 | M122-L124 HydrophobicContact CB-CD2 3.68Å; M122-L124 HydrophobicContact CB-CG 4.3Å; M122-L124 HydrophobicContact CE-CD1 3.89Å; M122-L124 HydrophobicContact CE-CD2 3.73Å; M122-L124 HydrophobicContact CE-CG 3.98Å; M122-L124 HydrophobicContact CG-CD2 4.21Å; M122-L124 PolarHBondContact O-N 3.44Å; L124-W128 VanDerWaalsContact CA-NE1 3.25Å; L124-W128 HydrophobicContact CB-CZ2 3.73Å; L124-W128 HydrophobicContact CD1-CD2 4.01Å; L124-W128 HydrophobicContact CD1-CH2 4.1Å; L124-W128 HydrophobicContact CD1-CZ2 3.53Å; L124-W128 HydrophobicContact CD2-CH2 3.91Å; L124-W128 HydrophobicContact CD2-CZ2 3.46Å; L124-W128 VanDerWaalsContact CD2-CZ2 3.46Å; L124-W128 HydrophobicContact CG-CH2 4.41Å; L124-W128 HydrophobicContact CG-CZ2 3.64Å; L124-R129 HydrophobicContact CB-CG 3.72Å; L124-R129 VanDerWaalsContact CB-CZ 3.49Å; L124-R129 HydrophobicContact CD1-CG 3.95Å; L124-R129 HydrophobicContact CG-CG 4.25Å; L124-R129 PolarHBondContact O-NH1 2.68Å | ||
| 125 | P | 74 | Confident | 71.6 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 20% | 0.201 | 37% | 0.371 | C | S | . | . | trans | -44.7 | 173.3 | 154.2 | -33.1 | 37 | 0 | 0 | 0 | 114.5 | I100 F123 W128 R129 | I100-P125 WeakPolarHBondContact O-CD 3.45Å; F123-P125 HydrophobicContact CE1-CG 4.28Å; P125-W128 VanDerWaalsContact CD-NE1 3.32Å; P125-W128 VanDerWaalsContact N-NE1 3.12Å; P125-W128 PolarHBondContact O-NE1 3.03Å; P125-R129 WeakPolarHBondContact O-CG 3.04Å | ||
| 126 | G | 65.2 | Low | 69.4 | Low | 55 Ų | 55 | 68 Ų | 68 | 57% | 0.567 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -83.4 | -44.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R129 | G126-R129 PolarHBondContact O-N 3.01Å |
| 127 | D | 60.7 | Low | 67.5 | Low | 120 Ų | 120 | 73 Ų | 73 | 64% | 0.642 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -73.5 | -33.3 | -167.6 | 63.7 | -26.7 | 0 | 0 | 0 | 113.9 | K86 T130 | K86-D127 WeakPolarHBondContact CE-O 3.49Å; K86-D127 PolarHBondContact NZ-O 2.98Å; D127-T130 PolarHBondContact O-OG1 3.23Å |
| 128 | W | 60.6 | Low | 66 | Low | 32 Ų | 32 | 74.3 Ų | 74.3 | 12% | 0.121 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -76.1 | -23.6 | 174.1 | 74.7 | -25.7 | 0 | 0 | 0 | 115.1 | L89 I100 L124 P125 T130 | L89-W128 HydrophobicContact CB-CE3 4.19Å; L89-W128 HydrophobicContact CB-CZ3 4.38Å; L89-W128 HydrophobicContact CD1-CE3 3.64Å; L89-W128 HydrophobicContact CD1-CH2 4.03Å; L89-W128 HydrophobicContact CD1-CZ3 3.2Å; L89-W128 HydrophobicContact CD2-CB 4.49Å; L89-W128 HydrophobicContact CD2-CD2 4.1Å; L89-W128 HydrophobicContact CD2-CE3 3.52Å; L89-W128 HydrophobicContact CD2-CZ3 4.04Å; L89-W128 HydrophobicContact CG-CE3 3.93Å; L89-W128 HydrophobicContact CG-CZ3 4.01Å; I100-W128 HydrophobicContact CB-CH2 3.33Å; I100-W128 HydrophobicContact CB-CZ2 4.11Å; I100-W128 HydrophobicContact CB-CZ3 3.59Å; I100-W128 HydrophobicContact CD1-CH2 4.06Å; I100-W128 HydrophobicContact CD1-CZ3 3.62Å; I100-W128 HydrophobicContact CG1-CH2 3.49Å; I100-W128 VanDerWaalsContact CG1-CH2 3.49Å; I100-W128 HydrophobicContact CG1-CZ3 3.6Å; L124-W128 VanDerWaalsContact CA-NE1 3.25Å; L124-W128 HydrophobicContact CB-CZ2 3.73Å; L124-W128 HydrophobicContact CD1-CD2 4.01Å; L124-W128 HydrophobicContact CD1-CH2 4.1Å; L124-W128 HydrophobicContact CD1-CZ2 3.53Å; L124-W128 HydrophobicContact CD2-CH2 3.91Å; L124-W128 HydrophobicContact CD2-CZ2 3.46Å; L124-W128 VanDerWaalsContact CD2-CZ2 3.46Å; L124-W128 HydrophobicContact CG-CH2 4.41Å; L124-W128 HydrophobicContact CG-CZ2 3.64Å; P125-W128 VanDerWaalsContact CD-NE1 3.32Å; P125-W128 VanDerWaalsContact N-NE1 3.12Å; P125-W128 PolarHBondContact O-NE1 3.03Å; W128-T130 PolarHBondContact O-N 2.98Å |
| 129 | R | 51.4 | Low | 65 | Low | 157 Ų | 157 | 73.7 Ų | 73.7 | 59% | 0.592 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -68 | -25.9 | 177.5 | -83.5 | 179.3 | 162.6 | 152.3 | 4.1 | 112.4 | M122 L124 P125 G126 | M122-R129 PolarHBondContact O-NH2 2.87Å; L124-R129 HydrophobicContact CB-CG 3.72Å; L124-R129 VanDerWaalsContact CB-CZ 3.49Å; L124-R129 HydrophobicContact CD1-CG 3.95Å; L124-R129 HydrophobicContact CG-CG 4.25Å; L124-R129 PolarHBondContact O-NH1 2.68Å; P125-R129 WeakPolarHBondContact O-CG 3.04Å; G126-R129 PolarHBondContact O-N 3.01Å |
| 130 | T | 41.8 | Very low | 64.1 | Low | 77 Ų | 77 | 74.2 Ų | 74.2 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -84.7 | 115 | 174.4 | 61.4 | 0 | 0 | 0 | 0 | 109.2 | K86 D127 W128 P132 | K86-T130 VanDerWaalsContact CE-O 3.28Å; K86-T130 WeakPolarHBondContact CE-O 3.14Å; K86-T130 PolarHBondContact NZ-O 3.03Å; D127-T130 PolarHBondContact O-OG1 3.23Å; W128-T130 PolarHBondContact O-N 2.98Å; T130-P132 WeakPolarHBondContact O-CD 3.43Å |
| 131 | T | 43.6 | Very low | 63.5 | Low | 99 Ų | 99 | 75 Ų | 75 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | trans | -52.4 | 123.9 | 141.1 | 41.8 | 0 | 0 | 0 | 0 | 105.2 | E133 | T131-E133 PolarHBondContact O-N 2.84Š| ||
| 132 | P | 43.6 | Very low | 63.1 | Low | 31 Ų | 31 | 71 Ų | 71 | 20% | 0.201 | 37% | 0.365 | C | S | . | . | trans | -63.9 | 111.3 | -173.7 | -22.2 | 34.5 | 0 | 0 | 0 | 107.4 | T130 K134 D135 I136 | T130-P132 WeakPolarHBondContact O-CD 3.43Å; P132-K134 HydrophobicContact CB-CB 4.46Å; P132-K134 CarbonylContact O-C 3.5Å; P132-K134 PolarHBondContact O-N 2.8Å; P132-D135 HydrophobicContact CB-CB 4.01Å; P132-D135 HydrophobicContact CG-CB 4.39Å; P132-D135 WeakPolarHBondContact CG-OD2 3.3Å; P132-D135 PolarHBondContact O-N 3.19Å; P132-I136 PolarHBondContact O-N 2.9Å | ||
| 133 | E | 44.7 | Very low | 63 | Low | 142 Ų | 142 | 69 Ų | 69 | 66% | 0.664 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.8 | -25.2 | 169.4 | -71.4 | -162.2 | 145 | 0 | 0 | 109.8 | T131 K137 | T131-E133 PolarHBondContact O-N 2.84Å; E133-K137 WeakPolarHBondContact O-CA 3.02Å; E133-K137 WeakPolarHBondContact O-CB 3.4Å; E133-K137 WeakPolarHBondContact O-CG 3.5Å; E133-K137 PolarHBondContact O-N 2.63Å |
| 134 | K | 44.5 | Very low | 62.7 | Low | 104 Ų | 104 | 71 Ų | 71 | 45% | 0.452 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -58.8 | 168.1 | -151.5 | -171.8 | 177.6 | -173.2 | 0 | 112.7 | P132 I136 K137 D138 E185 | P132-K134 HydrophobicContact CB-CB 4.46Å; P132-K134 CarbonylContact O-C 3.5Å; P132-K134 PolarHBondContact O-N 2.8Å; K134-I136 VanDerWaalsContact C-N 3.33Å; K134-I136 PolarHBondContact O-N 2.63Å; K134-K137 CarbonylContact O-C 3.33Å; K134-K137 PolarHBondContact O-N 3.31Å; K134-K137 VanDerWaalsContact O-N 3.11Å; K134-D138 WeakPolarHBondContact O-CB 3.49Å; K134-D138 PolarHBondContact O-N 3.12Å; K134-E185 IonicContact NZ-OE1 2.74Å; K134-E185 PolarHBondContact NZ-OE1 2.86Å; K134-E185 IonicContact NZ-OE2 2.65Å; K134-E185 PolarHBondContact NZ-OE2 3.39Å |
| 135 | D | 48.9 | Very low | 63 | Low | 32 Ų | 32 | 73.5 Ų | 73.5 | 17% | 0.171 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 178.7 | -81.1 | -47.9 | 0 | 0 | 0 | 112.5 | P132 D138 L139 R195 | P132-D135 HydrophobicContact CB-CB 4.01Å; P132-D135 HydrophobicContact CG-CB 4.39Å; P132-D135 WeakPolarHBondContact CG-OD2 3.3Å; P132-D135 PolarHBondContact O-N 3.19Å; D135-D138 PolarHBondContact O-N 3.2Å; D135-L139 WeakPolarHBondContact O-CB 3.38Å; D135-L139 WeakPolarHBondContact O-CG 3.34Å; D135-L139 PolarHBondContact O-N 3.45Å; D135-R195 IonicContact OD1-CZ 3.43Å; D135-R195 IonicContact OD1-NE 3.67Å; D135-R195 IonicContact OD1-NH1 2.7Å; D135-R195 PolarHBondContact OD1-NH1 3.26Å |
| 136 | I | 50.9 | Low | 63.8 | Low | 61 Ų | 61 | 72.4 Ų | 72.4 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 177.2 | -62.5 | 178.3 | 0 | 0 | 0 | 110.8 | P132 K134 K140 | P132-I136 PolarHBondContact O-N 2.9Å; K134-I136 VanDerWaalsContact C-N 3.33Å; K134-I136 PolarHBondContact O-N 2.63Å; I136-K140 HydrophobicContact CG2-CD 3.83Å; I136-K140 VanDerWaalsContact CG2-CE 3.49Å; I136-K140 HydrophobicContact CG2-CG 4.4Å; I136-K140 WeakPolarHBondContact O-CB 3.49Å; I136-K140 WeakPolarHBondContact O-CG 3.5Å; I136-K140 PolarHBondContact O-N 3.31Å |
| 137 | K | 54 | Low | 65 | Low | 132 Ų | 132 | 75.2 Ų | 75.2 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.7 | -45.1 | 172.1 | -86.8 | 171.8 | 173.2 | 160.5 | 0 | 111.8 | E133 K134 L139 K140 S141 | E133-K137 WeakPolarHBondContact O-CA 3.02Å; E133-K137 WeakPolarHBondContact O-CB 3.4Å; E133-K137 WeakPolarHBondContact O-CG 3.5Å; E133-K137 PolarHBondContact O-N 2.63Å; K134-K137 CarbonylContact O-C 3.33Å; K134-K137 PolarHBondContact O-N 3.31Å; K134-K137 VanDerWaalsContact O-N 3.11Å; K137-L139 PolarHBondContact O-N 3.23Å; K137-K140 CarbonylContact O-C 3.55Å; K137-K140 PolarHBondContact O-N 2.88Å; K137-S141 WeakPolarHBondContact O-CB 3.28Å; K137-S141 PolarHBondContact O-N 3.03Å; K137-S141 PolarHBondContact O-OG 3.25Å |
| 138 | D | 65.6 | Low | 66.5 | Low | 26 Ų | 26 | 73.5 Ų | 73.5 | 14% | 0.139 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.9 | -47.9 | -175 | -68 | -16 | 0 | 0 | 0 | 109.3 | K134 D135 S141 L142 L184 | K134-D138 WeakPolarHBondContact O-CB 3.49Å; K134-D138 PolarHBondContact O-N 3.12Å; D135-D138 PolarHBondContact O-N 3.2Å; D138-S141 PolarHBondContact O-N 3.44Å; D138-S141 PolarHBondContact O-OG 3.04Å; D138-L142 PolarHBondContact O-N 3.39Å; D138-L184 HydrophobicContact CB-CD2 4.17Å |
| 139 | L | 71.6 | Confident | 68.1 | Low | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.12 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 172.4 | -70 | 173.2 | 0 | 0 | 0 | 113.3 | D135 K137 S141 L142 R147 L150 L184 S199 | D135-L139 WeakPolarHBondContact O-CB 3.38Å; D135-L139 WeakPolarHBondContact O-CG 3.34Å; D135-L139 PolarHBondContact O-N 3.45Å; K137-L139 PolarHBondContact O-N 3.23Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 3.3Å; L139-L142 HydrophobicContact CD2-CD1 4.03Å; L139-L142 WeakPolarHBondContact O-CB 3.4Å; L139-L142 PolarHBondContact O-N 3.03Å; L139-R147 PolarHBondContact O-NH2 3.17Å; L139-L150 HydrophobicContact CD2-CD2 3.75Å; L139-L184 HydrophobicContact CD2-CD2 4.3Å; L139-S199 VanDerWaalsContact CD1-OG 3.24Å; L139-S199 WeakPolarHBondContact CD1-OG 3.47Å |
| 140 | K | 72.6 | Confident | 70 | Confident | 154 Ų | 154 | 64.5 Ų | 64.5 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.6 | -31.6 | 174.8 | -79.6 | 176.1 | -177.8 | 174.6 | 0 | 112.4 | I136 K137 R147 | I136-K140 HydrophobicContact CG2-CD 3.83Å; I136-K140 VanDerWaalsContact CG2-CE 3.49Å; I136-K140 HydrophobicContact CG2-CG 4.4Å; I136-K140 WeakPolarHBondContact O-CB 3.49Å; I136-K140 WeakPolarHBondContact O-CG 3.5Å; I136-K140 PolarHBondContact O-N 3.31Å; K137-K140 CarbonylContact O-C 3.55Å; K137-K140 PolarHBondContact O-N 2.88Å; K140-R147 PolarHBondContact O-NH2 3.17Å |
| 141 | S | 79.4 | Confident | 72.4 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.1 | -21.9 | -178.5 | 84.1 | 0 | 0 | 0 | 0 | 113.4 | K137 D138 L139 S143 R183 | K137-S141 WeakPolarHBondContact O-CB 3.28Å; K137-S141 PolarHBondContact O-N 3.03Å; K137-S141 PolarHBondContact O-OG 3.25Å; D138-S141 PolarHBondContact O-N 3.44Å; D138-S141 PolarHBondContact O-OG 3.04Å; L139-S141 VanDerWaalsContact C-N 3.27Å; L139-S141 PolarHBondContact O-N 3.3Å; S141-S143 PolarHBondContact O-N 3.39Å; S141-R183 VanDerWaalsContact CB-NH2 3.25Å; S141-R183 PolarHBondContact O-NH1 2.93Å; S141-R183 PolarHBondContact O-NH2 3.44Å; S141-R183 PolarHBondContact OG-NH2 3.17Å |
| 142 | L | 85.4 | Confident | 74.7 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -52.7 | 136 | 175.9 | -64.3 | -175.9 | 0 | 0 | 0 | 110.5 | D138 L139 Q146 L150 L180 R183 L184 | D138-L142 PolarHBondContact O-N 3.39Å; L139-L142 HydrophobicContact CD2-CD1 4.03Å; L139-L142 WeakPolarHBondContact O-CB 3.4Å; L139-L142 PolarHBondContact O-N 3.03Å; L142-Q146 HydrophobicContact CB-CB 4Å; L142-Q146 HydrophobicContact CD2-CB 4.22Å; L142-L150 HydrophobicContact CD1-CD2 3.7Å; L142-L180 HydrophobicContact CD1-CD1 4.14Å; L142-L180 HydrophobicContact CD2-CD1 4.23Å; L142-R183 HydrophobicContact CD2-CB 4.5Å; L142-L184 HydrophobicContact CD2-CD2 4.25Å |
| 143 | S | 87.1 | Confident | 77 | Confident | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | trans | -63.4 | 157.7 | 170.1 | 68.2 | 0 | 0 | 0 | 0 | 110.1 | S141 R145 Q146 R147 | S141-S143 PolarHBondContact O-N 3.39Å; S143-R145 PolarHBondContact O-N 3.42Å; S143-R145 VanDerWaalsContact O-N 3.16Å; S143-Q146 WeakPolarHBondContact O-CA 3.4Å; S143-Q146 WeakPolarHBondContact O-CB 3.15Å; S143-Q146 PolarHBondContact O-N 3.16Å; S143-Q146 PolarHBondContact OG-N 3.13Å; S143-R147 PolarHBondContact O-N 2.92Å | ||
| 144 | A | 87.1 | Confident | 79.1 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 62% | 0.62 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -48.9 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q146 R147 E148 | A144-Q146 PolarHBondContact O-N 3.28Å; A144-R147 WeakPolarHBondContact O-CB 3.18Å; A144-R147 PolarHBondContact O-N 2.94Å; A144-R147 VanDerWaalsContact O-N 3.17Å; A144-E148 WeakPolarHBondContact O-CG 3.33Å; A144-E148 PolarHBondContact O-N 3.46Å |
| 145 | R | 90.6 | Very high | 81.2 | Confident | 73 Ų | 73 | 53.5 Ų | 53.5 | 28% | 0.275 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 177.4 | -168.5 | 52.5 | 149.4 | -154.3 | -11 | 114.4 | S143 R147 E148 I149 L166 | S143-R145 PolarHBondContact O-N 3.42Å; S143-R145 VanDerWaalsContact O-N 3.16Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-E148 WeakPolarHBondContact CD-OE2 3.38Å; R145-E148 IonicContact CZ-OE2 3.66Å; R145-E148 IonicContact NE-OE2 3.78Å; R145-E148 IonicContact NH1-OE2 2.76Å; R145-E148 PolarHBondContact NH1-OE2 2.81Å; R145-I149 HydrophobicContact CG-CD1 4.18Å; R145-I149 WeakPolarHBondContact O-CB 3.15Å; R145-I149 VanDerWaalsContact O-CG1 3.29Å; R145-I149 WeakPolarHBondContact O-CG1 3.05Å; R145-I149 PolarHBondContact O-N 3.42Å; R145-I149 VanDerWaalsContact O-N 3.14Å; R145-L166 PolarHBondContact NH2-O 2.91Å |
| 146 | Q | 90.7 | Very high | 83.2 | Confident | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 173.6 | -85.1 | -178.1 | -39.4 | 0 | 0 | 111.6 | L142 S143 A144 L150 S179 L180 | L142-Q146 HydrophobicContact CB-CB 4Å; L142-Q146 HydrophobicContact CD2-CB 4.22Å; S143-Q146 WeakPolarHBondContact O-CA 3.4Å; S143-Q146 WeakPolarHBondContact O-CB 3.15Å; S143-Q146 PolarHBondContact O-N 3.16Å; S143-Q146 PolarHBondContact OG-N 3.13Å; A144-Q146 PolarHBondContact O-N 3.28Å; Q146-L150 WeakPolarHBondContact O-CB 3.48Å; Q146-L150 PolarHBondContact O-N 2.73Å; Q146-S179 PolarHBondContact NE2-OG 3.15Å; Q146-L180 HydrophobicContact CB-CD1 4.01Å; Q146-L180 HydrophobicContact CG-CD1 4.35Å; Q146-L180 VanDerWaalsContact O-CD1 3.31Å; Q146-L180 WeakPolarHBondContact O-CD1 3.46Å |
| 147 | R | 90.6 | Very high | 85.2 | Confident | 113 Ų | 113 | 55.2 Ų | 55.2 | 43% | 0.426 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 176.3 | -166 | 172.9 | -66.2 | 149.5 | 7.7 | 111.7 | L139 K140 S143 A144 R145 I149 L150 T151 | L139-R147 PolarHBondContact O-NH2 3.17Å; K140-R147 PolarHBondContact O-NH2 3.17Å; S143-R147 PolarHBondContact O-N 2.92Å; A144-R147 WeakPolarHBondContact O-CB 3.18Å; A144-R147 PolarHBondContact O-N 2.94Å; A144-R147 VanDerWaalsContact O-N 3.17Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R147-I149 PolarHBondContact O-N 3.27Å; R147-L150 PolarHBondContact O-N 3.36Å; R147-L150 VanDerWaalsContact O-N 3.16Å; R147-T151 PolarHBondContact O-N 3.25Å; R147-T151 PolarHBondContact O-OG1 3.42Å; R147-T151 VanDerWaalsContact O-OG1 3.13Å |
| 148 | E | 91.9 | Very high | 87.2 | Confident | 84 Ų | 84 | 51.1 Ų | 51.1 | 39% | 0.393 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -52.1 | -51.6 | 172.3 | -73.6 | 170.7 | -177.9 | 0 | 0 | 112.1 | A144 R145 L150 T151 M152 | A144-E148 WeakPolarHBondContact O-CG 3.33Å; A144-E148 PolarHBondContact O-N 3.46Å; R145-E148 WeakPolarHBondContact CD-OE2 3.38Å; R145-E148 IonicContact CZ-OE2 3.66Å; R145-E148 IonicContact NE-OE2 3.78Å; R145-E148 IonicContact NH1-OE2 2.76Å; R145-E148 PolarHBondContact NH1-OE2 2.81Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 2.7Å; E148-T151 PolarHBondContact O-N 3.17Å; E148-M152 WeakPolarHBondContact O-CG 3.08Å; E148-M152 PolarHBondContact O-N 2.96Å |
| 149 | I | 94.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | -179.6 | -70.8 | 171 | 0 | 0 | 0 | 111 | R145 R147 L153 I162 L166 H176 L177 | R145-I149 HydrophobicContact CG-CD1 4.18Å; R145-I149 WeakPolarHBondContact O-CB 3.15Å; R145-I149 VanDerWaalsContact O-CG1 3.29Å; R145-I149 WeakPolarHBondContact O-CG1 3.05Å; R145-I149 PolarHBondContact O-N 3.42Å; R145-I149 VanDerWaalsContact O-N 3.14Å; R147-I149 PolarHBondContact O-N 3.27Å; I149-L153 WeakPolarHBondContact O-CB 3.34Å; I149-L153 PolarHBondContact O-N 3.01Å; I149-I162 HydrophobicContact CG1-CG2 4.06Å; I149-I162 HydrophobicContact CG2-CG2 4.46Å; I149-L166 HydrophobicContact CD1-CD1 4.21Å; I149-L166 HydrophobicContact CG1-CD1 3.43Å; I149-L166 VanDerWaalsContact CG1-CD1 3.43Å; I149-H176 HydrophobicContact CD1-CB 3.44Å; I149-H176 VanDerWaalsContact CD1-CB 3.44Å; I149-L177 HydrophobicContact CG2-CD2 3.51Å; I149-L177 HydrophobicContact CG2-CG 4.14Å |
| 150 | L | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 177.1 | -167.8 | 57 | 0 | 0 | 0 | 112.4 | L139 L142 Q146 R147 E148 L153 A154 L180 L184 A192 L196 | L139-L150 HydrophobicContact CD2-CD2 3.75Å; L142-L150 HydrophobicContact CD1-CD2 3.7Å; Q146-L150 WeakPolarHBondContact O-CB 3.48Å; Q146-L150 PolarHBondContact O-N 2.73Å; R147-L150 PolarHBondContact O-N 3.36Å; R147-L150 VanDerWaalsContact O-N 3.16Å; E148-L150 VanDerWaalsContact C-N 3.3Å; E148-L150 PolarHBondContact O-N 2.7Å; L150-L153 HydrophobicContact CD1-CD2 4.08Å; L150-L153 PolarHBondContact O-N 3.28Å; L150-A154 WeakPolarHBondContact O-CB 3.02Å; L150-A154 PolarHBondContact O-N 3.42Å; L150-L180 HydrophobicContact CB-CD1 3.95Å; L150-L180 HydrophobicContact CD1-CD1 4.31Å; L150-L180 HydrophobicContact CD1-CD2 3.83Å; L150-L180 HydrophobicContact CD2-CD1 4.37Å; L150-L180 HydrophobicContact CG-CD1 4.44Å; L150-L184 HydrophobicContact CD1-CD1 4.37Å; L150-L184 HydrophobicContact CD2-CD1 4.01Å; L150-A192 HydrophobicContact CD1-CB 4.08Å; L150-A192 WeakPolarHBondContact CD1-O 3.49Å; L150-L196 HydrophobicContact CB-CD1 4.04Å; L150-L196 HydrophobicContact CD2-CB 4.4Å; L150-L196 HydrophobicContact CD2-CD1 4.02Å; L150-L196 HydrophobicContact CG-CB 4.32Å; L150-L196 HydrophobicContact CG-CD1 3.7Å |
| 151 | T | 91.1 | Very high | 91 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | R147 E148 L153 A154 A155 | R147-T151 PolarHBondContact O-N 3.25Å; R147-T151 PolarHBondContact O-OG1 3.42Å; R147-T151 VanDerWaalsContact O-OG1 3.13Å; E148-T151 PolarHBondContact O-N 3.17Å; T151-L153 VanDerWaalsContact C-N 3.32Å; T151-L153 PolarHBondContact O-N 3.22Å; T151-A154 PolarHBondContact O-N 2.72Å; T151-A155 PolarHBondContact O-N 3.11Å |
| 152 | M | 92.6 | Very high | 91.9 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 17% | 0.172 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.9 | -66.8 | -167.4 | 73.7 | 0 | 0 | 112.1 | E148 A154 A155 G156 E157 I162 A165 L166 | E148-M152 WeakPolarHBondContact O-CG 3.08Å; E148-M152 PolarHBondContact O-N 2.96Å; M152-A154 VanDerWaalsContact C-N 3.32Å; M152-A154 PolarHBondContact O-N 3.42Å; M152-A155 PolarHBondContact O-N 3.49Å; M152-G156 PolarHBondContact O-N 2.82Å; M152-E157 HydrophobicContact CB-CB 4.11Å; M152-E157 HydrophobicContact CB-CG 4.13Å; M152-E157 HydrophobicContact CE-CB 4.12Å; M152-E157 HydrophobicContact CE-CG 3.84Å; M152-E157 VanDerWaalsContact O-CB 3.28Å; M152-E157 WeakPolarHBondContact O-CB 3.39Å; M152-E157 WeakPolarHBondContact O-CG 3.2Å; M152-E157 PolarHBondContact O-N 3.49Å; M152-E157 VanDerWaalsContact O-N 3.12Å; M152-I162 HydrophobicContact CB-CD1 4.21Å; M152-I162 HydrophobicContact CB-CG1 3.81Å; M152-I162 HydrophobicContact CE-CG1 4.16Å; M152-I162 HydrophobicContact SD-CB 4.41Å; M152-I162 HydrophobicContact SD-CG1 4.23Å; M152-I162 HydrophobicContact SD-CG2 4.28Å; M152-A165 HydrophobicContact CE-CB 3.5Å; M152-A165 HydrophobicContact SD-CB 4.01Å; M152-L166 HydrophobicContact SD-CD1 4.22Å; M152-L166 HydrophobicContact SD-CD2 3.97Å; M152-L166 HydrophobicContact SD-CG 3.9Å |
| 153 | L | 92.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 178.5 | 176 | 149.1 | 0 | 0 | 0 | 112.1 | I149 L150 T151 G156 I162 L177 Y181 R189 A192 A193 | I149-L153 WeakPolarHBondContact O-CB 3.34Å; I149-L153 PolarHBondContact O-N 3.01Å; L150-L153 HydrophobicContact CD1-CD2 4.08Å; L150-L153 PolarHBondContact O-N 3.28Å; T151-L153 VanDerWaalsContact C-N 3.32Å; T151-L153 PolarHBondContact O-N 3.22Å; L153-G156 PolarHBondContact O-N 3.33Å; L153-I162 HydrophobicContact CB-CD1 4.25Å; L153-L177 HydrophobicContact CD1-CD1 4.3Å; L153-L177 HydrophobicContact CD1-CD2 3.3Å; L153-L177 HydrophobicContact CD1-CG 4.44Å; L153-Y181 HydrophobicContact CD1-CE1 4.49Å; L153-R189 HydrophobicContact CD1-CG 3.9Å; L153-R189 HydrophobicContact CD2-CG 4.18Å; L153-R189 HydrophobicContact CG-CG 3.94Å; L153-R189 PolarHBondContact O-NH2 3.48Å; L153-A192 HydrophobicContact CD2-CB 4Å; L153-A193 HydrophobicContact CD2-CB 3.69Å |
| 154 | A | 88 | Confident | 92.9 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.2 | -32.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L150 T151 M152 G156 A193 L196 | L150-A154 WeakPolarHBondContact O-CB 3.02Å; L150-A154 PolarHBondContact O-N 3.42Å; T151-A154 PolarHBondContact O-N 2.72Å; M152-A154 VanDerWaalsContact C-N 3.32Å; M152-A154 PolarHBondContact O-N 3.42Å; A154-G156 PolarHBondContact O-N 2.52Å; A154-A193 HydrophobicContact CB-CB 4.43Å; A154-L196 HydrophobicContact CB-CB 4.38Å |
| 155 | A | 89.2 | Confident | 93.4 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -3.4 | 171 | 0 | 0 | 0 | 0 | 0 | 114.3 | T151 M152 E157 | T151-A155 PolarHBondContact O-N 3.11Å; M152-A155 PolarHBondContact O-N 3.49Å; A155-E157 HydrophobicContact CB-CG 4.45Å |
| 156 | G | 90.1 | Very high | 93.6 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 58% | 0.577 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | -7.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | M152 L153 A154 S158 R189 | M152-G156 PolarHBondContact O-N 2.82Å; L153-G156 PolarHBondContact O-N 3.33Å; A154-G156 PolarHBondContact O-N 2.52Å; G156-S158 PolarHBondContact O-N 2.88Å; G156-R189 PolarHBondContact O-NH2 3.14Å |
| 157 | E | 93.5 | Very high | 93.9 | Very high | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | trans | -58.4 | 124.9 | -172.4 | -63.3 | -72.9 | -179.1 | 0 | 0 | 113.2 | M152 A155 E161 I162 R189 | M152-E157 HydrophobicContact CB-CB 4.11Å; M152-E157 HydrophobicContact CB-CG 4.13Å; M152-E157 HydrophobicContact CE-CB 4.12Å; M152-E157 HydrophobicContact CE-CG 3.84Å; M152-E157 VanDerWaalsContact O-CB 3.28Å; M152-E157 WeakPolarHBondContact O-CB 3.39Å; M152-E157 WeakPolarHBondContact O-CG 3.2Å; M152-E157 PolarHBondContact O-N 3.49Å; M152-E157 VanDerWaalsContact O-N 3.12Å; A155-E157 HydrophobicContact CB-CG 4.45Å; E157-E161 HydrophobicContact CB-CB 4.3Å; E157-E161 WeakPolarHBondContact OE2-CB 3.48Å; E157-I162 HydrophobicContact CB-CD1 4.4Å; E157-I162 HydrophobicContact CB-CG1 3.78Å; E157-I162 WeakPolarHBondContact O-CD1 3.27Å; E157-R189 PolarHBondContact O-NH1 2.8Å; E157-R189 PolarHBondContact O-NH2 3.43Å | ||
| 158 | S | 95.5 | Very high | 94.1 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | trans | -65.2 | 162 | 179 | 77.3 | 0 | 0 | 0 | 0 | 111.6 | G156 K160 E161 I162 | G156-S158 PolarHBondContact O-N 2.88Å; S158-K160 PolarHBondContact O-N 3.1Å; S158-K160 PolarHBondContact OG-N 3.3Å; S158-E161 WeakPolarHBondContact CA-OE2 3.08Å; S158-E161 WeakPolarHBondContact CB-OE2 3.29Å; S158-E161 PolarHBondContact N-OE2 3.21Å; S158-E161 PolarHBondContact O-N 3.34Å; S158-E161 PolarHBondContact OG-N 3.18Å; S158-E161 PolarHBondContact OG-OE2 2.94Å; S158-I162 WeakPolarHBondContact O-CG1 3.08Å; S158-I162 PolarHBondContact O-N 3.39Å | ||
| 159 | N | 96.5 | Very high | 94.4 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 23% | 0.23 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.5 | -19 | 176.8 | -62.8 | 21.1 | 0 | 0 | 0 | 113 | G163 V173 R189 | N159-G163 PolarHBondContact O-N 2.76Å; N159-G163 VanDerWaalsContact O-N 3.15Å; N159-V173 HydrophobicContact CB-CG1 3.98Å; N159-R189 PolarHBondContact OD1-NH1 2.9Å |
| 160 | K | 96.7 | Very high | 94.5 | Very high | 125 Ų | 125 | 60.4 Ų | 60.4 | 54% | 0.543 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -82.1 | -39 | 175.6 | -170.9 | 179.1 | -179.7 | -178.9 | 0 | 112 | S158 R164 T170 | S158-K160 PolarHBondContact O-N 3.1Å; S158-K160 PolarHBondContact OG-N 3.3Å; K160-R164 VanDerWaalsContact O-CG 3.31Å; K160-R164 WeakPolarHBondContact O-CG 3.38Å; K160-R164 PolarHBondContact O-N 3.03Å; K160-R164 VanDerWaalsContact O-N 3.07Å; K160-T170 HydrophobicContact CB-CG2 4.3Å |
| 161 | E | 97.7 | Very high | 94.7 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 41% | 0.407 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.9 | -45.9 | 172.9 | -74.7 | 128.6 | 174.2 | 0 | 0 | 111.4 | E157 S158 G163 R164 A165 | E157-E161 HydrophobicContact CB-CB 4.3Å; E157-E161 WeakPolarHBondContact OE2-CB 3.48Å; S158-E161 WeakPolarHBondContact CA-OE2 3.08Å; S158-E161 WeakPolarHBondContact CB-OE2 3.29Å; S158-E161 PolarHBondContact N-OE2 3.21Å; S158-E161 PolarHBondContact O-N 3.34Å; S158-E161 PolarHBondContact OG-N 3.18Å; S158-E161 PolarHBondContact OG-OE2 2.94Å; E161-G163 VanDerWaalsContact C-N 3.29Å; E161-G163 PolarHBondContact O-N 2.89Å; E161-R164 PolarHBondContact O-N 2.72Å; E161-R164 VanDerWaalsContact O-N 3.1Å; E161-A165 PolarHBondContact O-N 3.2Å |
| 162 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.9 | -47.6 | 171.6 | -62.4 | 174.8 | 0 | 0 | 0 | 110.4 | I149 M152 L153 E157 S158 R164 L166 V173 | I149-I162 HydrophobicContact CG1-CG2 4.06Å; I149-I162 HydrophobicContact CG2-CG2 4.46Å; M152-I162 HydrophobicContact CB-CD1 4.21Å; M152-I162 HydrophobicContact CB-CG1 3.81Å; M152-I162 HydrophobicContact CE-CG1 4.16Å; M152-I162 HydrophobicContact SD-CB 4.41Å; M152-I162 HydrophobicContact SD-CG1 4.23Å; M152-I162 HydrophobicContact SD-CG2 4.28Å; L153-I162 HydrophobicContact CB-CD1 4.25Å; E157-I162 HydrophobicContact CB-CD1 4.4Å; E157-I162 HydrophobicContact CB-CG1 3.78Å; E157-I162 WeakPolarHBondContact O-CD1 3.27Å; S158-I162 WeakPolarHBondContact O-CG1 3.08Å; S158-I162 PolarHBondContact O-N 3.39Å; I162-R164 VanDerWaalsContact C-N 3.33Å; I162-R164 PolarHBondContact O-N 2.91Å; I162-L166 HydrophobicContact CG2-CD1 3.67Å; I162-L166 HydrophobicContact CG2-CG 4.28Å; I162-L166 WeakPolarHBondContact O-CB 3.34Å; I162-L166 VanDerWaalsContact O-CG 3.27Å; I162-L166 WeakPolarHBondContact O-CG 3.45Å; I162-L166 PolarHBondContact O-N 3.48Å; I162-V173 HydrophobicContact CB-CG1 4.15Å; I162-V173 HydrophobicContact CB-CG2 4.37Å; I162-V173 HydrophobicContact CG2-CG1 3.81Å; I162-V173 HydrophobicContact CG2-CG2 3.91Å |
| 163 | G | 97.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N159 E161 N167 I168 | N159-G163 PolarHBondContact O-N 2.76Å; N159-G163 VanDerWaalsContact O-N 3.15Å; E161-G163 VanDerWaalsContact C-N 3.29Å; E161-G163 PolarHBondContact O-N 2.89Å; G163-N167 WeakPolarHBondContact O-CA 3.31Å; G163-N167 PolarHBondContact O-N 3.44Å; G163-I168 CarbonylContact C-O 3.6Å; G163-I168 WeakPolarHBondContact CA-O 3.49Å; G163-I168 PolarHBondContact O-N 2.76Å |
| 164 | R | 97.2 | Very high | 95.2 | Very high | 178 Ų | 178 | 65.6 Ų | 65.6 | 67% | 0.672 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.7 | -53.6 | 177.2 | -76.9 | 168.5 | 166.1 | -174.3 | -9 | 112.4 | K160 E161 I162 L166 N167 | K160-R164 VanDerWaalsContact O-CG 3.31Å; K160-R164 WeakPolarHBondContact O-CG 3.38Å; K160-R164 PolarHBondContact O-N 3.03Å; K160-R164 VanDerWaalsContact O-N 3.07Å; E161-R164 PolarHBondContact O-N 2.72Å; E161-R164 VanDerWaalsContact O-N 3.1Å; I162-R164 VanDerWaalsContact C-N 3.33Å; I162-R164 PolarHBondContact O-N 2.91Å; R164-L166 PolarHBondContact O-N 2.92Å; R164-N167 PolarHBondContact O-N 3.3Å |
| 165 | A | 96.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 66.8 Ų | 66.8 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.5 | -34.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M152 E161 | M152-A165 HydrophobicContact CE-CB 3.5Å; M152-A165 HydrophobicContact SD-CB 4.01Å; E161-A165 PolarHBondContact O-N 3.2Å |
| 166 | L | 95.3 | Very high | 95.8 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 2.7 | -178.1 | -58.9 | -170.9 | 0 | 0 | 0 | 113.6 | R145 I149 M152 I162 R164 I168 | R145-L166 PolarHBondContact NH2-O 2.91Å; I149-L166 HydrophobicContact CD1-CD1 4.21Å; I149-L166 HydrophobicContact CG1-CD1 3.43Å; I149-L166 VanDerWaalsContact CG1-CD1 3.43Å; M152-L166 HydrophobicContact SD-CD1 4.22Å; M152-L166 HydrophobicContact SD-CD2 3.97Å; M152-L166 HydrophobicContact SD-CG 3.9Å; I162-L166 HydrophobicContact CG2-CD1 3.67Å; I162-L166 HydrophobicContact CG2-CG 4.28Å; I162-L166 WeakPolarHBondContact O-CB 3.34Å; I162-L166 VanDerWaalsContact O-CG 3.27Å; I162-L166 WeakPolarHBondContact O-CG 3.45Å; I162-L166 PolarHBondContact O-N 3.48Å; R164-L166 PolarHBondContact O-N 2.92Å; L166-I168 HydrophobicContact CB-CD1 4.28Å; L166-I168 HydrophobicContact CB-CG1 4.05Å; L166-I168 PolarHBondContact O-N 3.4Å |
| 167 | N | 96.3 | Very high | 96 | Very high | 150 Ų | 150 | 63.2 Ų | 63.2 | 80% | 0.802 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 50 | -176.6 | -164.3 | 28 | 0 | 0 | 0 | 114.4 | G163 R164 | G163-N167 WeakPolarHBondContact O-CA 3.31Å; G163-N167 PolarHBondContact O-N 3.44Å; R164-N167 PolarHBondContact O-N 3.3Å |
| 168 | I | 96.4 | Very high | 96 | Very high | 42 Ų | 42 | 65.7 Ų | 65.7 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | trans | -137 | 159.2 | 178.4 | 55.9 | 172.3 | 0 | 0 | 0 | 111.7 | G163 L166 T172 V173 | G163-I168 CarbonylContact C-O 3.6Å; G163-I168 WeakPolarHBondContact CA-O 3.49Å; G163-I168 PolarHBondContact O-N 2.76Å; L166-I168 HydrophobicContact CB-CD1 4.28Å; L166-I168 HydrophobicContact CB-CG1 4.05Å; L166-I168 PolarHBondContact O-N 3.4Å; I168-T172 HydrophobicContact CB-CG2 4.18Å; I168-T172 HydrophobicContact CD1-CG2 4.08Å; I168-T172 HydrophobicContact CG2-CG2 4.44Å; I168-V173 HydrophobicContact CD1-CG2 3.77Å; I168-V173 HydrophobicContact CG1-CG2 3.95Å | ||
| 169 | S | 97.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 65.3 Ų | 65.3 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | trans | -66.5 | 153.5 | 178.2 | 85.4 | 0 | 0 | 0 | 0 | 112.2 | G171 T172 V173 | S169-G171 PolarHBondContact O-N 3.45Å; S169-G171 PolarHBondContact OG-N 2.76Å; S169-T172 WeakPolarHBondContact O-CA 3.48Å; S169-T172 WeakPolarHBondContact O-CB 3.5Å; S169-T172 PolarHBondContact O-N 3.07Å; S169-T172 PolarHBondContact OG-N 3.14Å; S169-T172 PolarHBondContact OG-OG1 3.1Å; S169-V173 PolarHBondContact O-N 3.44Å | ||
| 170 | T | 96.2 | Very high | 95.5 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 47% | 0.466 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -27.7 | 173.3 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | K160 K174 | K160-T170 HydrophobicContact CB-CG2 4.3Å; T170-K174 PolarHBondContact O-N 2.73Å; T170-K174 VanDerWaalsContact O-N 3.08Å |
| 171 | G | 96.4 | Very high | 95.2 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | S169 V173 K174 A175 | S169-G171 PolarHBondContact O-N 3.45Å; S169-G171 PolarHBondContact OG-N 2.76Å; G171-V173 VanDerWaalsContact C-N 3.33Å; G171-V173 PolarHBondContact O-N 3.16Å; G171-K174 WeakPolarHBondContact O-CB 3.45Å; G171-K174 PolarHBondContact O-N 3.28Å; G171-A175 PolarHBondContact O-N 3Å |
| 172 | T | 95.8 | Very high | 94.6 | Very high | 55 Ų | 55 | 63.9 Ų | 63.9 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 174.1 | -45.9 | 0 | 0 | 0 | 0 | 111.2 | I168 S169 A175 H176 | I168-T172 HydrophobicContact CB-CG2 4.18Å; I168-T172 HydrophobicContact CD1-CG2 4.08Å; I168-T172 HydrophobicContact CG2-CG2 4.44Å; S169-T172 WeakPolarHBondContact O-CA 3.48Å; S169-T172 WeakPolarHBondContact O-CB 3.5Å; S169-T172 PolarHBondContact O-N 3.07Å; S169-T172 PolarHBondContact OG-N 3.14Å; S169-T172 PolarHBondContact OG-OG1 3.1Å; T172-A175 PolarHBondContact O-N 3.29Å; T172-H176 PolarHBondContact O-CD2 2.78Å; T172-H176 PolarHBondContact O-N 2.88Å |
| 173 | V | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | N159 I162 I168 S169 G171 A175 H176 L177 | N159-V173 HydrophobicContact CB-CG1 3.98Å; I162-V173 HydrophobicContact CB-CG1 4.15Å; I162-V173 HydrophobicContact CB-CG2 4.37Å; I162-V173 HydrophobicContact CG2-CG1 3.81Å; I162-V173 HydrophobicContact CG2-CG2 3.91Å; I168-V173 HydrophobicContact CD1-CG2 3.77Å; I168-V173 HydrophobicContact CG1-CG2 3.95Å; S169-V173 PolarHBondContact O-N 3.44Å; G171-V173 VanDerWaalsContact C-N 3.33Å; G171-V173 PolarHBondContact O-N 3.16Å; V173-A175 PolarHBondContact O-N 2.93Å; V173-H176 PolarHBondContact O-N 3.28Å; V173-L177 HydrophobicContact CG1-CD1 3.96Å; V173-L177 HydrophobicContact CG1-CG 4.29Å; V173-L177 VanDerWaalsContact O-CG 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 2.95Å |
| 174 | K | 95.2 | Very high | 93.4 | Very high | 126 Ų | 126 | 68 Ų | 68 | 55% | 0.548 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 175.8 | -76.6 | -176.1 | 175.5 | -172.8 | 0 | 112.3 | T170 G171 H176 L177 E178 | T170-K174 PolarHBondContact O-N 2.73Å; T170-K174 VanDerWaalsContact O-N 3.08Å; G171-K174 WeakPolarHBondContact O-CB 3.45Å; G171-K174 PolarHBondContact O-N 3.28Å; K174-H176 VanDerWaalsContact C-N 3.34Å; K174-H176 PolarHBondContact O-N 2.73Å; K174-L177 PolarHBondContact O-N 3.32Å; K174-L177 VanDerWaalsContact O-N 3.1Å; K174-E178 PolarHBondContact O-N 2.87Å |
| 175 | A | 95.3 | Very high | 92.7 | Very high | 57 Ų | 57 | 65.7 Ų | 65.7 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G171 T172 V173 S179 | G171-A175 PolarHBondContact O-N 3Å; T172-A175 PolarHBondContact O-N 3.29Å; V173-A175 PolarHBondContact O-N 2.93Å; A175-S179 WeakPolarHBondContact O-CB 3.31Å; A175-S179 PolarHBondContact O-N 3.42Å; A175-S179 VanDerWaalsContact O-N 3.16Å |
| 176 | H | 94.4 | Very high | 92.1 | Very high | 54 Ų | 54 | 63 Ų | 63 | 25% | 0.25 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 172.2 | -75.9 | -56.2 | 0 | 0 | 0 | 112.5 | I149 T172 V173 K174 S179 L180 | I149-H176 HydrophobicContact CD1-CB 3.44Å; I149-H176 VanDerWaalsContact CD1-CB 3.44Å; T172-H176 PolarHBondContact O-CD2 2.78Å; T172-H176 PolarHBondContact O-N 2.88Å; V173-H176 PolarHBondContact O-N 3.28Å; K174-H176 VanDerWaalsContact C-N 3.34Å; K174-H176 PolarHBondContact O-N 2.73Å; H176-S179 PolarHBondContact O-N 2.96Å; H176-L180 VanDerWaalsContact O-CB 3.28Å; H176-L180 WeakPolarHBondContact O-CB 3.42Å; H176-L180 PolarHBondContact O-N 3.27Å |
| 177 | L | 94.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 178.5 | -71.9 | 176.4 | 0 | 0 | 0 | 112.5 | I149 L153 V173 K174 S179 L180 Y181 | I149-L177 HydrophobicContact CG2-CD2 3.51Å; I149-L177 HydrophobicContact CG2-CG 4.14Å; L153-L177 HydrophobicContact CD1-CD1 4.3Å; L153-L177 HydrophobicContact CD1-CD2 3.3Å; L153-L177 HydrophobicContact CD1-CG 4.44Å; V173-L177 HydrophobicContact CG1-CD1 3.96Å; V173-L177 HydrophobicContact CG1-CG 4.29Å; V173-L177 VanDerWaalsContact O-CG 3.32Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 2.95Å; K174-L177 PolarHBondContact O-N 3.32Å; K174-L177 VanDerWaalsContact O-N 3.1Å; L177-S179 VanDerWaalsContact C-N 3.33Å; L177-S179 PolarHBondContact O-N 3.31Å; L177-L180 CarbonylContact O-C 3.58Å; L177-L180 PolarHBondContact O-N 3.4Å; L177-L180 VanDerWaalsContact O-N 3.17Å; L177-Y181 HydrophobicContact CB-CE1 4.41Å; L177-Y181 HydrophobicContact CB-CE2 4.24Å; L177-Y181 HydrophobicContact CD2-CE1 4.29Å; L177-Y181 WeakPolarHBondContact O-CB 3.22Å; L177-Y181 WeakPolarHBondContact O-CD1 3.38Å; L177-Y181 WeakPolarHBondContact O-CD2 3.32Å; L177-Y181 PolarHBondContact O-N 3.07Å |
| 178 | E | 92.2 | Very high | 90.8 | Very high | 125 Ų | 125 | 66.6 Ų | 66.6 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.4 | -42.9 | 174.1 | -73.3 | 171.2 | -172.6 | 0 | 0 | 111.8 | K174 L180 R182 | K174-E178 PolarHBondContact O-N 2.87Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-R182 WeakPolarHBondContact O-CB 3.39Å; E178-R182 PolarHBondContact O-N 3.46Å; E178-R182 VanDerWaalsContact O-N 3.09Å |
| 179 | S | 91.3 | Very high | 90.5 | Very high | 37 Ų | 37 | 67.7 Ų | 67.7 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 174.2 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | Q146 A175 H176 L177 R183 | Q146-S179 PolarHBondContact NE2-OG 3.15Å; A175-S179 WeakPolarHBondContact O-CB 3.31Å; A175-S179 PolarHBondContact O-N 3.42Å; A175-S179 VanDerWaalsContact O-N 3.16Å; H176-S179 PolarHBondContact O-N 2.96Å; L177-S179 VanDerWaalsContact C-N 3.33Å; L177-S179 PolarHBondContact O-N 3.31Å; S179-R183 VanDerWaalsContact O-CG 3.31Å; S179-R183 WeakPolarHBondContact O-CG 3.46Å; S179-R183 PolarHBondContact O-N 3.05Å; S179-R183 VanDerWaalsContact O-N 3.07Å |
| 180 | L | 91 | Very high | 89.7 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 177.2 | -179.6 | 130.5 | 0 | 0 | 0 | 112.1 | L142 Q146 L150 H176 L177 E178 R182 R183 L184 A192 | L142-L180 HydrophobicContact CD1-CD1 4.14Å; L142-L180 HydrophobicContact CD2-CD1 4.23Å; Q146-L180 HydrophobicContact CB-CD1 4.01Å; Q146-L180 HydrophobicContact CG-CD1 4.35Å; Q146-L180 VanDerWaalsContact O-CD1 3.31Å; Q146-L180 WeakPolarHBondContact O-CD1 3.46Å; L150-L180 HydrophobicContact CB-CD1 3.95Å; L150-L180 HydrophobicContact CD1-CD1 4.31Å; L150-L180 HydrophobicContact CD1-CD2 3.83Å; L150-L180 HydrophobicContact CD2-CD1 4.37Å; L150-L180 HydrophobicContact CG-CD1 4.44Å; H176-L180 VanDerWaalsContact O-CB 3.28Å; H176-L180 WeakPolarHBondContact O-CB 3.42Å; H176-L180 PolarHBondContact O-N 3.27Å; L177-L180 CarbonylContact O-C 3.58Å; L177-L180 PolarHBondContact O-N 3.4Å; L177-L180 VanDerWaalsContact O-N 3.17Å; E178-L180 VanDerWaalsContact C-N 3.35Å; L180-R182 VanDerWaalsContact C-N 3.33Å; L180-R182 PolarHBondContact O-N 3.19Å; L180-R183 PolarHBondContact O-N 3.28Å; L180-R183 VanDerWaalsContact O-N 3.14Å; L180-L184 HydrophobicContact CD1-CD1 4.47Å; L180-L184 HydrophobicContact CD2-CD1 3.64Å; L180-L184 HydrophobicContact CG-CD1 3.86Å; L180-L184 HydrophobicContact CG-CG 4.37Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 2.77Å; L180-A192 HydrophobicContact CD2-CB 4.02Å |
| 181 | Y | 89.1 | Confident | 88.9 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.4 | -64.6 | -16 | 0 | 0 | 0 | 111.5 | L153 L177 R183 L184 E185 V186 R189 A192 | L153-Y181 HydrophobicContact CD1-CE1 4.49Å; L177-Y181 HydrophobicContact CB-CE1 4.41Å; L177-Y181 HydrophobicContact CB-CE2 4.24Å; L177-Y181 HydrophobicContact CD2-CE1 4.29Å; L177-Y181 WeakPolarHBondContact O-CB 3.22Å; L177-Y181 WeakPolarHBondContact O-CD1 3.38Å; L177-Y181 WeakPolarHBondContact O-CD2 3.32Å; L177-Y181 PolarHBondContact O-N 3.07Å; Y181-R183 PolarHBondContact O-N 3.46Å; Y181-L184 PolarHBondContact O-N 3.1Å; Y181-E185 PolarHBondContact O-N 3Å; Y181-V186 WeakPolarHBondContact CB-O 3.39Å; Y181-V186 HydrophobicContact CD1-CG2 3.83Å; Y181-V186 HydrophobicContact CG-CG2 4.27Å; Y181-V186 PolarHBondContact O-N 2.95Å; Y181-R189 WeakPolarHBondContact OH-CA 3.48Å; Y181-R189 WeakPolarHBondContact OH-CB 3.31Å; Y181-A192 HydrophobicContact CD1-CB 3.81Å; Y181-A192 HydrophobicContact CE1-CB 3.53Å |
| 182 | R | 86 | Confident | 88.4 | Confident | 179 Ų | 179 | 66.8 Ų | 66.8 | 68% | 0.675 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.1 | -39.9 | 174.1 | -178 | 173.8 | 59.2 | -113.5 | -3.2 | 112.6 | E178 L180 | E178-R182 WeakPolarHBondContact O-CB 3.39Å; E178-R182 PolarHBondContact O-N 3.46Å; E178-R182 VanDerWaalsContact O-N 3.09Å; L180-R182 VanDerWaalsContact C-N 3.33Å; L180-R182 PolarHBondContact O-N 3.19Å |
| 183 | R | 85.1 | Confident | 87.9 | Confident | 93 Ų | 93 | 65 Ų | 65 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.6 | -33.6 | 178.5 | -73.5 | -173.1 | 80.4 | 175.6 | 10 | 113.7 | S141 L142 S179 L180 Y181 | S141-R183 VanDerWaalsContact CB-NH2 3.25Å; S141-R183 PolarHBondContact O-NH1 2.93Å; S141-R183 PolarHBondContact O-NH2 3.44Å; S141-R183 PolarHBondContact OG-NH2 3.17Å; L142-R183 HydrophobicContact CD2-CB 4.5Å; S179-R183 VanDerWaalsContact O-CG 3.31Å; S179-R183 WeakPolarHBondContact O-CG 3.46Å; S179-R183 PolarHBondContact O-N 3.05Å; S179-R183 VanDerWaalsContact O-N 3.07Å; L180-R183 PolarHBondContact O-N 3.28Å; L180-R183 VanDerWaalsContact O-N 3.14Å; Y181-R183 PolarHBondContact O-N 3.46Å |
| 184 | L | 83.3 | Confident | 87 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -89.3 | -0.8 | 178.4 | -63.6 | 178.2 | 0 | 0 | 0 | 113 | D138 L139 L142 L150 L180 Y181 V186 R195 | D138-L184 HydrophobicContact CB-CD2 4.17Å; L139-L184 HydrophobicContact CD2-CD2 4.3Å; L142-L184 HydrophobicContact CD2-CD2 4.25Å; L150-L184 HydrophobicContact CD1-CD1 4.37Å; L150-L184 HydrophobicContact CD2-CD1 4.01Å; L180-L184 HydrophobicContact CD1-CD1 4.47Å; L180-L184 HydrophobicContact CD2-CD1 3.64Å; L180-L184 HydrophobicContact CG-CD1 3.86Å; L180-L184 HydrophobicContact CG-CG 4.37Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 2.77Å; Y181-L184 PolarHBondContact O-N 3.1Å; L184-V186 HydrophobicContact CB-CG1 4.23Å; L184-V186 HydrophobicContact CB-CG2 4Å; L184-V186 PolarHBondContact O-N 3.42Å; L184-R195 HydrophobicContact CD1-CB 4.48Å; L184-R195 VanDerWaalsContact O-CZ 3.24Å; L184-R195 PolarHBondContact O-NH1 3.47Å; L184-R195 PolarHBondContact O-NH2 2.99Å |
| 185 | E | 82.3 | Confident | 86 | Confident | 128 Ų | 128 | 66.8 Ų | 66.8 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 35.3 | -174.3 | -58.9 | 173.9 | 171.6 | 0 | 0 | 113.3 | K134 Y181 | K134-E185 IonicContact NZ-OE1 2.74Å; K134-E185 PolarHBondContact NZ-OE1 2.86Å; K134-E185 IonicContact NZ-OE2 2.65Å; K134-E185 PolarHBondContact NZ-OE2 3.39Å; Y181-E185 PolarHBondContact O-N 3Å |
| 186 | V | 84 | Confident | 84.8 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 9% | 0.085 | 31% | 0.305 | C | S | . | . | trans | -110.2 | 153.8 | 178.9 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | Y181 L184 Q191 A192 R195 | Y181-V186 WeakPolarHBondContact CB-O 3.39Å; Y181-V186 HydrophobicContact CD1-CG2 3.83Å; Y181-V186 HydrophobicContact CG-CG2 4.27Å; Y181-V186 PolarHBondContact O-N 2.95Å; L184-V186 HydrophobicContact CB-CG1 4.23Å; L184-V186 HydrophobicContact CB-CG2 4Å; L184-V186 PolarHBondContact O-N 3.42Å; V186-Q191 HydrophobicContact CB-CB 3.79Å; V186-Q191 HydrophobicContact CG1-CB 3.92Å; V186-A192 HydrophobicContact CG2-CB 3.97Å; V186-R195 HydrophobicContact CG1-CG 4.25Å | ||
| 187 | K | 80.9 | Confident | 83 | Confident | 188 Ų | 188 | 68.1 Ų | 68.1 | 82% | 0.817 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -98.6 | -20.5 | -174.5 | -61.9 | -178.2 | -179.2 | 177.5 | 0 | 114.1 | ||
| 188 | N | 83.7 | Confident | 80.9 | Confident | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.353 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -151.5 | 171.1 | -173.6 | 66.9 | 51.6 | 0 | 0 | 0 | 113.4 | T190 Q191 A192 | N188-T190 PolarHBondContact O-N 3.09Å; N188-T190 PolarHBondContact OD1-N 3.03Å; N188-Q191 PolarHBondContact O-N 2.65Å; N188-Q191 WeakPolarHBondContact OD1-CG 3.28Å; N188-Q191 PolarHBondContact OD1-N 2.74Å; N188-A192 PolarHBondContact O-N 2.75Å; N188-A192 VanDerWaalsContact O-N 3.1Å |
| 189 | R | 89.7 | Confident | 78.5 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 24% | 0.242 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 179.2 | 174.2 | 165.9 | 177.5 | 121.7 | 10 | 113 | L153 G156 E157 N159 Y181 Q191 A192 A193 | L153-R189 HydrophobicContact CD1-CG 3.9Å; L153-R189 HydrophobicContact CD2-CG 4.18Å; L153-R189 HydrophobicContact CG-CG 3.94Å; L153-R189 PolarHBondContact O-NH2 3.48Å; G156-R189 PolarHBondContact O-NH2 3.14Å; E157-R189 PolarHBondContact O-NH1 2.8Å; E157-R189 PolarHBondContact O-NH2 3.43Å; N159-R189 PolarHBondContact OD1-NH1 2.9Å; Y181-R189 WeakPolarHBondContact OH-CA 3.48Å; Y181-R189 WeakPolarHBondContact OH-CB 3.31Å; R189-Q191 PolarHBondContact O-N 3.07Å; R189-A192 WeakPolarHBondContact O-CB 3.33Å; R189-A192 PolarHBondContact O-N 3.42Å; R189-A193 PolarHBondContact O-N 3Å |
| 190 | T | 80.5 | Confident | 76.1 | Confident | 89 Ų | 89 | 76 Ų | 76 | 55% | 0.546 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | -177.1 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | N188 A192 A193 M194 | N188-T190 PolarHBondContact O-N 3.09Å; N188-T190 PolarHBondContact OD1-N 3.03Å; T190-A192 VanDerWaalsContact C-N 3.33Å; T190-A192 PolarHBondContact O-N 3.03Å; T190-A193 PolarHBondContact O-N 3.37Å; T190-M194 HydrophobicContact CG2-CE 4.01Å; T190-M194 HydrophobicContact CG2-SD 4.4Å; T190-M194 WeakPolarHBondContact O-CG 3.48Å; T190-M194 PolarHBondContact O-N 3.02Å |
| 191 | Q | 79.4 | Confident | 75.3 | Confident | 77 Ų | 77 | 79.7 Ų | 79.7 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 175 | -70.1 | 175 | -5.6 | 0 | 0 | 112.3 | V186 N188 R189 R195 | V186-Q191 HydrophobicContact CB-CB 3.79Å; V186-Q191 HydrophobicContact CG1-CB 3.92Å; N188-Q191 PolarHBondContact O-N 2.65Å; N188-Q191 WeakPolarHBondContact OD1-CG 3.28Å; N188-Q191 PolarHBondContact OD1-N 2.74Å; R189-Q191 PolarHBondContact O-N 3.07Å; Q191-R195 PolarHBondContact O-N 3.19Å |
| 192 | A | 86.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L150 L153 L180 Y181 V186 N188 R189 T190 M194 R195 | L150-A192 HydrophobicContact CD1-CB 4.08Å; L150-A192 WeakPolarHBondContact CD1-O 3.49Å; L153-A192 HydrophobicContact CD2-CB 4Å; L180-A192 HydrophobicContact CD2-CB 4.02Å; Y181-A192 HydrophobicContact CD1-CB 3.81Å; Y181-A192 HydrophobicContact CE1-CB 3.53Å; V186-A192 HydrophobicContact CG2-CB 3.97Å; N188-A192 PolarHBondContact O-N 2.75Å; N188-A192 VanDerWaalsContact O-N 3.1Å; R189-A192 WeakPolarHBondContact O-CB 3.33Å; R189-A192 PolarHBondContact O-N 3.42Å; T190-A192 VanDerWaalsContact C-N 3.33Å; T190-A192 PolarHBondContact O-N 3.03Å; A192-M194 VanDerWaalsContact C-N 3.3Å; A192-M194 PolarHBondContact O-N 3.25Å; A192-R195 PolarHBondContact O-N 3.08Å |
| 193 | A | 85.4 | Confident | 74 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L153 A154 R189 T190 R195 L196 | L153-A193 HydrophobicContact CD2-CB 3.69Å; A154-A193 HydrophobicContact CB-CB 4.43Å; R189-A193 PolarHBondContact O-N 3Å; T190-A193 PolarHBondContact O-N 3.37Å; A193-R195 VanDerWaalsContact C-N 3.25Å; A193-R195 PolarHBondContact O-N 3.02Å; A193-L196 PolarHBondContact O-N 3.03Å |
| 194 | M | 78 | Confident | 73.3 | Confident | 113 Ų | 113 | 75.1 Ų | 75.1 | 56% | 0.557 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.1 | -29.7 | 179.2 | -73.6 | 170.1 | 168 | 0 | 0 | 113.6 | T190 A192 L196 N197 I198 | T190-M194 HydrophobicContact CG2-CE 4.01Å; T190-M194 HydrophobicContact CG2-SD 4.4Å; T190-M194 WeakPolarHBondContact O-CG 3.48Å; T190-M194 PolarHBondContact O-N 3.02Å; A192-M194 VanDerWaalsContact C-N 3.3Å; A192-M194 PolarHBondContact O-N 3.25Å; M194-L196 VanDerWaalsContact C-N 3.31Å; M194-L196 PolarHBondContact O-N 3.41Å; M194-N197 PolarHBondContact O-N 2.88Å; M194-I198 WeakPolarHBondContact O-CG1 3.47Å |
| 195 | R | 75 | Confident | 72.7 | Confident | 49 Ų | 49 | 79.8 Ų | 79.8 | 19% | 0.185 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.8 | -30.7 | 179.6 | -72.1 | -66.8 | -174 | 96.1 | 16.4 | 113.5 | D135 L184 V186 Q191 A192 A193 | D135-R195 IonicContact OD1-CZ 3.43Å; D135-R195 IonicContact OD1-NE 3.67Å; D135-R195 IonicContact OD1-NH1 2.7Å; D135-R195 PolarHBondContact OD1-NH1 3.26Å; L184-R195 HydrophobicContact CD1-CB 4.48Å; L184-R195 VanDerWaalsContact O-CZ 3.24Å; L184-R195 PolarHBondContact O-NH1 3.47Å; L184-R195 PolarHBondContact O-NH2 2.99Å; V186-R195 HydrophobicContact CG1-CG 4.25Å; Q191-R195 PolarHBondContact O-N 3.19Å; A192-R195 PolarHBondContact O-N 3.08Å; A193-R195 VanDerWaalsContact C-N 3.25Å; A193-R195 PolarHBondContact O-N 3.02Å |
| 196 | L | 70.1 | Confident | 72.1 | Confident | 36 Ų | 36 | 76.6 Ų | 76.6 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -78 | -35.9 | -179 | -155.2 | 150.3 | 0 | 0 | 0 | 111.4 | L150 A154 A193 M194 I198 S199 | L150-L196 HydrophobicContact CB-CD1 4.04Å; L150-L196 HydrophobicContact CD2-CB 4.4Å; L150-L196 HydrophobicContact CD2-CD1 4.02Å; L150-L196 HydrophobicContact CG-CB 4.32Å; L150-L196 HydrophobicContact CG-CD1 3.7Å; A154-L196 HydrophobicContact CB-CB 4.38Å; A193-L196 PolarHBondContact O-N 3.03Å; M194-L196 VanDerWaalsContact C-N 3.31Å; M194-L196 PolarHBondContact O-N 3.41Å; L196-I198 PolarHBondContact O-N 3.16Å; L196-S199 PolarHBondContact O-N 3.37Å; L196-S199 VanDerWaalsContact O-N 3.14Å |
| 197 | N | 56.3 | Low | 71.2 | Confident | 104 Ų | 104 | 81.1 Ų | 81.1 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -0.5 | 176.5 | -68.6 | -1.1 | 0 | 0 | 0 | 114.9 | M194 | M194-N197 PolarHBondContact O-N 2.88Š|
| 198 | I | 48.7 | Very low | 70.5 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 54% | 0.544 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -8.3 | 176 | -63.6 | 165.6 | 0 | 0 | 0 | 111.1 | M194 L196 | M194-I198 WeakPolarHBondContact O-CG1 3.47Å; L196-I198 PolarHBondContact O-N 3.16Å |
| 199 | S | 43.5 | Very low | 69.4 | Low | 66 Ų | 66 | 73.4 Ų | 73.4 | 46% | 0.462 | 41% | 0.408 | S | S | . | . | trans | -126.7 | 18.6 | -170.8 | -61.6 | 0 | 0 | 0 | 0 | 114.6 | L139 L196 | L139-S199 VanDerWaalsContact CD1-OG 3.24Å; L139-S199 WeakPolarHBondContact CD1-OG 3.47Å; L196-S199 PolarHBondContact O-N 3.37Å; L196-S199 VanDerWaalsContact O-N 3.14Å | ||
| 200 | S | 39.4 | Very low | 67.5 | Low | 158 Ų | 158 | 74.3 Ų | 74.3 | 100% | 1.105 | 42% | 0.424 | S | S | * | . | trans | -126.5 | 0 | 174.7 | -59.9 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 200 of 200 residues in 1313.2 ms
(Link to these results)