| 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 | 76.6 | Confident | 93.6 | Very high | 113 Ų | 113 | 20.3 Ų | 20.3 | 56% | 0.557 | 11% | 0.112 | S | C | * | . | 0 | 117.7 | 0 | -172.2 | 170.2 | 178.3 | 0 | 0 | 107.8 | M51 F52 E53 | M1-M51 HydrophobicContact CE-CE 4.32Å; M1-M51 HydrophobicContact CE-CG 3.47Å; M1-M51 VanDerWaalsContact CE-CG 3.47Å; M1-M51 HydrophobicContact CE-SD 4.18Å; M1-M51 HydrophobicContact CG-CG 4.35Å; M1-M51 HydrophobicContact SD-CE 3.76Å; M1-M51 HydrophobicContact SD-CG 3.95Å; M1-M51 HydrophobicContact SD-SD 4.39Å; M1-F52 WeakPolarHBondContact CE-O 3.39Å; M1-E53 HydrophobicContact CE-CB 3.76Å; M1-E53 VanDerWaalsContact CE-N 3.32Å; M1-E53 HydrophobicContact CG-CB 4.02Å; M1-E53 HydrophobicContact SD-CB 4.05Å | |||
| 2 | P | 85.7 | Confident | 93.9 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | trans | -63.1 | 138 | 176.6 | -17.5 | 30.6 | 0 | 0 | 0 | 110.9 | M51 F52 E53 F253 F255 | P2-M51 WeakPolarHBondContact CD-O 3.37Å; P2-F52 HydrophobicContact CB-CD1 4.1Å; P2-F52 HydrophobicContact CG-CD1 4.12Å; P2-F52 HydrophobicContact CG-CE1 4.27Å; P2-E53 PolarHBondContact O-N 3.37Å; P2-F253 HydrophobicContact CB-CD1 4.46Å; P2-F255 HydrophobicContact CB-CE1 4.34Å; P2-F255 HydrophobicContact CG-CE1 4.41Å | ||
| 3 | C | 91.6 | Very high | 94.2 | Very high | 51 Ų | 51 | 24.5 Ų | 24.5 | 35% | 0.345 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.2 | 177.3 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | E53 | C3-E53 CarbonylContact C-O 3.59Å; C3-E53 VanDerWaalsContact CA-O 3.28Å; C3-E53 WeakPolarHBondContact CA-O 3.36Å; C3-E53 PolarHBondContact SG-OE2 3.04Å; C3-E53 VanDerWaalsContact SG-OE2 3.33Å |
| 4 | I | 94.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 105.6 | -177.3 | -61.1 | 178 | 0 | 0 | 0 | 109.2 | V6 F52 E53 L54 K55 H85 I222 | I4-V6 HydrophobicContact CG2-CG2 3.94Å; I4-V6 PolarHBondContact O-N 3.36Å; I4-F52 HydrophobicContact CD1-CB 4.14Å; I4-F52 HydrophobicContact CD1-CD1 3.64Å; I4-F52 HydrophobicContact CD1-CE1 4.33Å; I4-F52 HydrophobicContact CD1-CG 4.08Å; I4-F52 HydrophobicContact CG1-CD1 4.41Å; I4-E53 PolarHBondContact N-O 2.85Å; I4-L54 HydrophobicContact CB-CD2 3.87Å; I4-L54 HydrophobicContact CD1-CD2 4.3Å; I4-L54 HydrophobicContact CG2-CD2 4.23Å; I4-L54 CarbonylContact O-C 3.55Å; I4-L54 WeakPolarHBondContact O-CA 3.33Å; I4-K55 PolarHBondContact O-N 2.67Å; I4-H85 HydrophobicContact CG2-CB 4.12Å; I4-I222 HydrophobicContact CD1-CD1 4.21Å; I4-I222 HydrophobicContact CG2-CD1 3.32Å |
| 5 | K | 95.7 | Very high | 94.7 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 12% | 0.117 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 118.9 | 170.9 | -173.5 | 178.1 | 173.7 | -178.3 | 0 | 111.6 | K55 M57 C80 S83 A84 H85 A86 | K5-K55 WeakPolarHBondContact CA-O 3.2Å; K5-K55 HydrophobicContact CG-CD 4.37Å; K5-M57 HydrophobicContact CD-SD 4.16Å; K5-M57 WeakPolarHBondContact CE-SD 3.38Å; K5-M57 HydrophobicContact CG-SD 3.99Å; K5-C80 WeakPolarHBondContact CE-O 3.47Å; K5-C80 PolarHBondContact NZ-O 2.89Å; K5-S83 PolarHBondContact NZ-OG 3.36Å; K5-A84 HydrophobicContact CG-CB 4.23Å; K5-H85 WeakPolarHBondContact CB-ND1 3.14Å; K5-H85 PolarHBondContact N-ND1 3.31Å; K5-H85 PolarHBondContact O-N 3.01Å; K5-A86 PolarHBondContact O-N 3.44Å |
| 6 | V | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.1 | 178.8 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | I4 K55 M57 A86 L88 L218 | I4-V6 HydrophobicContact CG2-CG2 3.94Å; I4-V6 PolarHBondContact O-N 3.36Å; V6-K55 PolarHBondContact N-O 2.71Å; V6-M57 PolarHBondContact O-N 3.19Å; V6-A86 WeakPolarHBondContact CA-O 3.45Å; V6-L88 HydrophobicContact CG1-CD1 4.16Å; V6-L88 HydrophobicContact CG1-CG 4.23Å; V6-L218 HydrophobicContact CB-CD2 4.15Å; V6-L218 HydrophobicContact CG1-CD2 3.44Å; V6-L218 VanDerWaalsContact CG1-CD2 3.44Å; V6-L218 HydrophobicContact CG2-CD2 3.55Å |
| 7 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.9 | 172.8 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | L9 M57 T59 V81 A84 A86 Y87 L88 | V7-L9 HydrophobicContact CG1-CD2 3.65Å; V7-L9 HydrophobicContact CG1-CG 4.09Å; V7-M57 HydrophobicContact CG2-CB 4.08Å; V7-M57 HydrophobicContact CG2-CG 4.28Å; V7-M57 HydrophobicContact CG2-SD 3.65Å; V7-T59 HydrophobicContact CG1-CG2 4.05Å; V7-V81 HydrophobicContact CG1-CB 4.08Å; V7-V81 HydrophobicContact CG1-CG1 4.12Å; V7-V81 HydrophobicContact CG2-CB 4.24Å; V7-V81 HydrophobicContact CG2-CG1 4.43Å; V7-A84 HydrophobicContact CB-CB 4.15Å; V7-A84 HydrophobicContact CG2-CB 3.65Å; V7-A86 PolarHBondContact N-O 3.29Å; V7-Y87 HydrophobicContact CB-CD1 3.74Å; V7-Y87 HydrophobicContact CB-CE1 3.79Å; V7-Y87 HydrophobicContact CG1-CD1 4.1Å; V7-Y87 HydrophobicContact CG1-CE1 4.15Å; V7-Y87 HydrophobicContact CG2-CE1 4.27Å; V7-Y87 WeakPolarHBondContact O-CA 3.46Å; V7-L88 PolarHBondContact O-N 2.73Å |
| 8 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117.7 | 179.4 | -51.8 | -179.5 | 0 | 0 | 0 | 109.5 | K16 V20 I56 M57 T59 L88 V90 | I8-K16 HydrophobicContact CG2-CB 3.77Å; I8-K16 HydrophobicContact CG2-CD 4.14Å; I8-K16 HydrophobicContact CG2-CG 3.87Å; I8-V20 HydrophobicContact CD1-CG2 3.13Å; I8-I56 HydrophobicContact CD1-CG2 3.71Å; I8-I56 HydrophobicContact CG1-CG2 4.35Å; I8-M57 PolarHBondContact N-O 3.4Å; I8-T59 PolarHBondContact O-OG1 2.88Å; I8-L88 CarbonylContact C-O 3.45Å; I8-L88 WeakPolarHBondContact CA-O 3.35Å; I8-L88 HydrophobicContact CB-CB 4.47Å; I8-L88 HydrophobicContact CD1-CD1 4.21Å; I8-L88 HydrophobicContact CG1-CB 4.18Å; I8-L88 HydrophobicContact CG1-CD1 4.05Å; I8-L88 HydrophobicContact CG2-CB 4.22Å; I8-V90 HydrophobicContact CG2-CG2 3.71Å |
| 9 | L | 98 | Very high | 95.5 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 162.5 | -178.3 | -56.6 | 179.4 | 0 | 0 | 0 | 110.9 | V7 M62 F65 Y87 L88 V90 F105 L109 | V7-L9 HydrophobicContact CG1-CD2 3.65Å; V7-L9 HydrophobicContact CG1-CG 4.09Å; L9-M62 HydrophobicContact CD2-CE 3.26Å; L9-F65 HydrophobicContact CD1-CD2 4Å; L9-F65 HydrophobicContact CD1-CE2 4.19Å; L9-Y87 HydrophobicContact CD1-CD1 3.83Å; L9-Y87 HydrophobicContact CD1-CE1 4.49Å; L9-Y87 HydrophobicContact CG-CD1 4.27Å; L9-L88 PolarHBondContact N-O 2.8Å; L9-V90 PolarHBondContact O-N 3.03Å; L9-F105 HydrophobicContact CB-CD1 4.47Å; L9-F105 HydrophobicContact CB-CD2 4.28Å; L9-F105 HydrophobicContact CB-CE2 4.46Å; L9-F105 HydrophobicContact CB-CG 4.29Å; L9-F105 HydrophobicContact CD1-CD1 4.09Å; L9-F105 HydrophobicContact CD1-CG 4.38Å; L9-L109 HydrophobicContact CD1-CD1 3.88Å; L9-L109 HydrophobicContact CD1-CD2 4.24Å; L9-L109 HydrophobicContact CD1-CG 4.28Å |
| 10 | G | 97.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | trans | 139.6 | 166.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | K16 V90 | G10-K16 PolarHBondContact O-NZ 3.02Å; G10-V90 VanDerWaalsContact CA-O 3.3Å; G10-V90 WeakPolarHBondContact CA-O 3.41Å | ||
| 11 | S | 96.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | trans | -62.4 | 165.6 | -174.9 | 75 | 0 | 0 | 0 | 0 | 113.9 | G13 C14 K16 S98 M101 | S11-G13 PolarHBondContact O-N 3.22Å; S11-C14 PolarHBondContact O-N 2.99Å; S11-C14 PolarHBondContact O-SG 3.24Å; S11-K16 PolarHBondContact O-NZ 3.14Å; S11-S98 WeakPolarHBondContact OG-CB 3.4Å; S11-M101 WeakPolarHBondContact CA-SD 3.3Å; S11-M101 WeakPolarHBondContact CB-SD 3.3Å | ||
| 12 | A | 97.2 | Very high | 96.7 | Very high | 66 Ų | 66 | 20.5 Ų | 20.5 | 55% | 0.545 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 139.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C14 P61 | A12-C14 PolarHBondContact O-N 3.43Å; A12-P61 HydrophobicContact CB-CB 3.87Å; A12-P61 HydrophobicContact CB-CG 3.75Å |
| 13 | G | 97.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 21.7 Ų | 21.7 | 30% | 0.299 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | S11 G15 K124 | S11-G13 PolarHBondContact O-N 3.22Å; G13-G15 PolarHBondContact O-N 2.91Å; G13-K124 WeakPolarHBondContact O-CE 3.46Å; G13-K124 PolarHBondContact O-NZ 2.84Å |
| 14 | C | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -69.1 | -15.1 | -180 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | S11 A12 V90 D92 N123 K124 | S11-C14 PolarHBondContact O-N 2.99Å; S11-C14 PolarHBondContact O-SG 3.24Å; A12-C14 PolarHBondContact O-N 3.43Å; C14-V90 PolarHBondContact SG-O 3.02Å; C14-D92 HydrophobicContact CB-CB 4.24Å; C14-N123 PolarHBondContact O-ND2 3.47Å; C14-K124 WeakPolarHBondContact O-CE 3.41Å |
| 15 | G | 98.2 | Very high | 97.7 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 104.8 | 22.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G13 S18 I19 | G13-G15 PolarHBondContact O-N 2.91Å; G15-S18 WeakPolarHBondContact O-CB 3.29Å; G15-S18 PolarHBondContact O-N 3.43Å; G15-S18 VanDerWaalsContact O-N 3.14Å; G15-I19 WeakPolarHBondContact O-CG1 3.5Å; G15-I19 PolarHBondContact O-N 2.99Å |
| 16 | K | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -46 | -62.5 | 172.3 | -57.4 | -173.7 | -65.6 | -77.8 | 0 | 112.3 | I8 G10 S11 S18 I19 V20 T59 V90 | I8-K16 HydrophobicContact CG2-CB 3.77Å; I8-K16 HydrophobicContact CG2-CD 4.14Å; I8-K16 HydrophobicContact CG2-CG 3.87Å; G10-K16 PolarHBondContact O-NZ 3.02Å; S11-K16 PolarHBondContact O-NZ 3.14Å; K16-S18 VanDerWaalsContact C-N 3.27Å; K16-S18 PolarHBondContact O-N 3.4Å; K16-I19 WeakPolarHBondContact O-CB 3.41Å; K16-I19 PolarHBondContact O-N 3.48Å; K16-I19 VanDerWaalsContact O-N 3.15Å; K16-V20 WeakPolarHBondContact O-CG2 3.5Å; K16-V20 PolarHBondContact O-N 3.49Å; K16-V20 VanDerWaalsContact O-N 3.12Å; K16-T59 WeakPolarHBondContact CE-O 3.21Å; K16-V90 HydrophobicContact CG-CB 4.25Å; K16-V90 HydrophobicContact CG-CG2 4.44Å |
| 17 | T | 98.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 34 Ų | 34 | 20% | 0.202 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -33.6 | 178.2 | -54 | 0 | 0 | 0 | 0 | 112.8 | V20 R21 T35 D58 | T17-V20 PolarHBondContact O-N 2.99Å; T17-R21 HydrophobicContact CG2-CG 4.18Å; T17-R21 WeakPolarHBondContact O-CB 3.48Å; T17-R21 VanDerWaalsContact O-CG 3.27Å; T17-R21 WeakPolarHBondContact O-CG 3.39Å; T17-R21 PolarHBondContact O-N 3.43Å; T17-T35 PolarHBondContact OG1-OG1 3.12Å; T17-D58 VanDerWaalsContact CB-OD2 3.26Å; T17-D58 WeakPolarHBondContact CB-OD2 3.43Å; T17-D58 VanDerWaalsContact CG2-OD2 3.25Å; T17-D58 WeakPolarHBondContact CG2-OD2 3.5Å; T17-D58 VanDerWaalsContact OG1-CG 3.24Å; T17-D58 PolarHBondContact OG1-OD1 3.47Å; T17-D58 VanDerWaalsContact OG1-OD1 3.05Å; T17-D58 PolarHBondContact OG1-OD2 3.33Å |
| 18 | S | 98.5 | Very high | 97.7 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.9 | -54.5 | 0 | 0 | 0 | 0 | 112 | G15 K16 R22 | G15-S18 WeakPolarHBondContact O-CB 3.29Å; G15-S18 PolarHBondContact O-N 3.43Å; G15-S18 VanDerWaalsContact O-N 3.14Å; K16-S18 VanDerWaalsContact C-N 3.27Å; K16-S18 PolarHBondContact O-N 3.4Å; S18-R22 VanDerWaalsContact O-CB 3.24Å; S18-R22 WeakPolarHBondContact O-CB 3.38Å; S18-R22 PolarHBondContact O-N 3.24Å |
| 19 | I | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -47 | 174.2 | -68.6 | 169 | 0 | 0 | 0 | 109.9 | G15 K16 R22 F23 V90 V121 N123 A205 V211 F215 | G15-I19 WeakPolarHBondContact O-CG1 3.5Å; G15-I19 PolarHBondContact O-N 2.99Å; K16-I19 WeakPolarHBondContact O-CB 3.41Å; K16-I19 PolarHBondContact O-N 3.48Å; K16-I19 VanDerWaalsContact O-N 3.15Å; I19-R22 PolarHBondContact O-N 2.98Å; I19-F23 WeakPolarHBondContact O-CB 3.4Å; I19-F23 PolarHBondContact O-N 3.44Å; I19-V90 HydrophobicContact CD1-CG1 3.71Å; I19-V90 HydrophobicContact CD1-CG2 4.03Å; I19-V121 HydrophobicContact CD1-CG1 4.11Å; I19-N123 HydrophobicContact CD1-CB 4.13Å; I19-A205 HydrophobicContact CG1-CB 3.96Å; I19-V211 HydrophobicContact CG2-CG1 4.36Å; I19-F215 HydrophobicContact CG2-CE2 3.85Å; I19-F215 HydrophobicContact CG2-CZ 4.15Å |
| 20 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -52.4 | 178.7 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | I8 K16 T17 R22 F23 L24 Y41 I56 D58 | I8-V20 HydrophobicContact CD1-CG2 3.13Å; K16-V20 WeakPolarHBondContact O-CG2 3.5Å; K16-V20 PolarHBondContact O-N 3.49Å; K16-V20 VanDerWaalsContact O-N 3.12Å; T17-V20 PolarHBondContact O-N 2.99Å; V20-R22 VanDerWaalsContact C-N 3.29Å; V20-R22 PolarHBondContact O-N 2.68Å; V20-F23 PolarHBondContact O-N 3.36Å; V20-L24 HydrophobicContact CG1-CD1 3.54Å; V20-L24 HydrophobicContact CG1-CG 4.26Å; V20-L24 WeakPolarHBondContact O-CB 3.07Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.47Å; V20-L24 PolarHBondContact O-N 3.21Å; V20-Y41 HydrophobicContact CG1-CD2 3.74Å; V20-Y41 HydrophobicContact CG1-CE2 3.65Å; V20-I56 HydrophobicContact CG1-CG2 4.45Å; V20-I56 HydrophobicContact CG2-CG2 4.1Å; V20-D58 HydrophobicContact CG2-CB 4.25Å |
| 21 | R | 97.8 | Very high | 97.2 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 179.4 | -71.5 | 179.4 | 68.8 | 102.4 | 7.1 | 112 | T17 L25 N26 Q27 | T17-R21 HydrophobicContact CG2-CG 4.18Å; T17-R21 WeakPolarHBondContact O-CB 3.48Å; T17-R21 VanDerWaalsContact O-CG 3.27Å; T17-R21 WeakPolarHBondContact O-CG 3.39Å; T17-R21 PolarHBondContact O-N 3.43Å; R21-L25 WeakPolarHBondContact O-CA 3.24Å; R21-L25 VanDerWaalsContact O-CB 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.42Å; R21-L25 PolarHBondContact O-N 2.9Å; R21-N26 PolarHBondContact O-N 3.44Å; R21-Q27 CarbonylContact C-O 3.59Å |
| 22 | R | 98.1 | Very high | 97 | Very high | 38 Ų | 38 | 55.9 Ų | 55.9 | 14% | 0.143 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 176.8 | 179.6 | 61 | 79.5 | -177.8 | 5.7 | 111.3 | S18 I19 V20 N26 Q27 A205 K206 N208 V211 | S18-R22 VanDerWaalsContact O-CB 3.24Å; S18-R22 WeakPolarHBondContact O-CB 3.38Å; S18-R22 PolarHBondContact O-N 3.24Å; I19-R22 PolarHBondContact O-N 2.98Å; V20-R22 VanDerWaalsContact C-N 3.29Å; V20-R22 PolarHBondContact O-N 2.68Å; R22-N26 VanDerWaalsContact NH1-C 3.33Å; R22-N26 PolarHBondContact NH1-O 3.21Å; R22-N26 PolarHBondContact NH1-OD1 3.06Å; R22-N26 VanDerWaalsContact NH1-OD1 3.11Å; R22-N26 WeakPolarHBondContact O-CA 3.15Å; R22-N26 PolarHBondContact O-N 3.36Å; R22-Q27 WeakPolarHBondContact CA-O 3.41Å; R22-Q27 PolarHBondContact N-O 3.49Å; R22-A205 PolarHBondContact NE-O 3.23Å; R22-K206 PolarHBondContact NH2-O 3.39Å; R22-N208 WeakPolarHBondContact CD-OD1 3.43Å; R22-N208 HydrophobicContact CG-CB 4.15Å; R22-N208 WeakPolarHBondContact CG-OD1 3.3Å; R22-V211 HydrophobicContact CB-CG1 4.08Å; R22-V211 HydrophobicContact CB-CG2 4.39Å; R22-V211 HydrophobicContact CG-CB 4.1Å; R22-V211 HydrophobicContact CG-CG1 3.89Å; R22-V211 HydrophobicContact CG-CG2 3.83Å |
| 23 | F | 98 | Very high | 96.8 | Very high | 39 Ų | 39 | 60.8 Ų | 60.8 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 177.8 | 177.1 | -117.7 | 0 | 0 | 0 | 112.7 | I19 V20 P43 I45 L54 I56 V211 I212 F215 | I19-F23 WeakPolarHBondContact O-CB 3.4Å; I19-F23 PolarHBondContact O-N 3.44Å; V20-F23 PolarHBondContact O-N 3.36Å; F23-P43 HydrophobicContact CE1-CB 4.2Å; F23-P43 HydrophobicContact CE1-CG 3.82Å; F23-I45 HydrophobicContact CZ-CD1 4.44Å; F23-L54 HydrophobicContact CE1-CD1 4.42Å; F23-I56 HydrophobicContact CD1-CD1 3.84Å; F23-I56 HydrophobicContact CE1-CD1 3.75Å; F23-V211 HydrophobicContact CB-CG1 3.86Å; F23-I212 HydrophobicContact CD2-CG1 4.37Å; F23-F215 HydrophobicContact CB-CD2 3.93Å; F23-F215 HydrophobicContact CB-CE2 3.46Å; F23-F215 VanDerWaalsContact CB-CE2 3.46Å; F23-F215 HydrophobicContact CB-CZ 4.17Å; F23-F215 HydrophobicContact CD1-CD1 4.25Å; F23-F215 AromaticContact CD1-CD2 3.78Å; F23-F215 HydrophobicContact CD1-CD2 3.78Å; F23-F215 HydrophobicContact CD1-CE1 4.17Å; F23-F215 AromaticContact CD1-CE2 3.71Å; F23-F215 HydrophobicContact CD1-CE2 3.71Å; F23-F215 HydrophobicContact CD1-CG 4.07Å; F23-F215 AromaticContact CD1-CZ 3.9Å; F23-F215 HydrophobicContact CD1-CZ 3.9Å; F23-F215 HydrophobicContact CD2-CB 4.42Å; F23-F215 AromaticContact CD2-CD2 3.43Å; F23-F215 HydrophobicContact CD2-CD2 3.43Å; F23-F215 VanDerWaalsContact CD2-CD2 3.43Å; F23-F215 AromaticContact CD2-CE2 3.91Å; F23-F215 HydrophobicContact CD2-CE2 3.91Å; F23-F215 HydrophobicContact CD2-CG 4.05Å; F23-F215 HydrophobicContact CE1-CB 4.47Å; F23-F215 HydrophobicContact CE1-CD1 4.11Å; F23-F215 HydrophobicContact CE1-CD2 4.12Å; F23-F215 HydrophobicContact CE1-CE1 4.4Å; F23-F215 HydrophobicContact CE1-CE2 4.43Å; F23-F215 AromaticContact CE1-CG 3.96Å; F23-F215 HydrophobicContact CE1-CG 3.96Å; F23-F215 HydrophobicContact CE2-CB 3.92Å; F23-F215 AromaticContact CE2-CD2 3.8Å; F23-F215 HydrophobicContact CE2-CD2 3.8Å; F23-F215 AromaticContact CE2-CG 3.95Å; F23-F215 HydrophobicContact CE2-CG 3.95Å; F23-F215 AromaticContact CG-CD2 3.42Å; F23-F215 HydrophobicContact CG-CD2 3.42Å; F23-F215 VanDerWaalsContact CG-CD2 3.42Å; F23-F215 AromaticContact CG-CE2 3.41Å; F23-F215 HydrophobicContact CG-CE2 3.41Å; F23-F215 VanDerWaalsContact CG-CE2 3.41Å; F23-F215 HydrophobicContact CG-CG 4.11Å; F23-F215 HydrophobicContact CG-CZ 4.07Å; F23-F215 HydrophobicContact CZ-CB 3.95Å; F23-F215 HydrophobicContact CZ-CD1 4.42Å; F23-F215 HydrophobicContact CZ-CD2 4.14Å; F23-F215 AromaticContact CZ-CG 3.91Å; F23-F215 HydrophobicContact CZ-CG 3.91Å |
| 24 | L | 97.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -83.5 | -38 | -172.8 | -63.4 | 177.1 | 0 | 0 | 0 | 113.8 | V20 Y41 P43 I56 | V20-L24 HydrophobicContact CG1-CD1 3.54Å; V20-L24 HydrophobicContact CG1-CG 4.26Å; V20-L24 WeakPolarHBondContact O-CB 3.07Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.47Å; V20-L24 PolarHBondContact O-N 3.21Å; L24-Y41 VanDerWaalsContact CD1-CB 3.49Å; L24-Y41 HydrophobicContact CD1-CD1 3.4Å; L24-Y41 HydrophobicContact CD1-CD2 3.75Å; L24-Y41 HydrophobicContact CD1-CE1 3.98Å; L24-Y41 HydrophobicContact CD1-CE2 4.29Å; L24-Y41 HydrophobicContact CD1-CG 3.25Å; L24-P43 HydrophobicContact CD2-CB 3.62Å; L24-P43 HydrophobicContact CD2-CG 3.56Å; L24-I56 HydrophobicContact CD2-CD1 4.46Å |
| 25 | L | 96.1 | Very high | 96.7 | Very high | 89 Ų | 89 | 64 Ų | 64 | 47% | 0.466 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -118 | -5.1 | -168 | -52.5 | 176.3 | 0 | 0 | 0 | 112.6 | R21 Q27 | R21-L25 WeakPolarHBondContact O-CA 3.24Å; R21-L25 VanDerWaalsContact O-CB 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.42Å; R21-L25 PolarHBondContact O-N 2.9Å; L25-Q27 HydrophobicContact CB-CB 4.14Å; L25-Q27 HydrophobicContact CB-CG 4.14Å; L25-Q27 WeakPolarHBondContact O-CG 3.43Å; L25-Q27 PolarHBondContact O-N 3.46Å |
| 26 | N | 96.9 | Very high | 96.4 | Very high | 101 Ų | 101 | 69.5 Ų | 69.5 | 54% | 0.54 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 49.1 | 37 | -167.5 | -166.6 | 21.9 | 0 | 0 | 0 | 113.1 | R21 R22 N208 | R21-N26 PolarHBondContact O-N 3.44Å; R22-N26 VanDerWaalsContact NH1-C 3.33Å; R22-N26 PolarHBondContact NH1-O 3.21Å; R22-N26 PolarHBondContact NH1-OD1 3.06Å; R22-N26 VanDerWaalsContact NH1-OD1 3.11Å; R22-N26 WeakPolarHBondContact O-CA 3.15Å; R22-N26 PolarHBondContact O-N 3.36Å; N26-N208 PolarHBondContact OD1-ND2 3.49Å |
| 27 | Q | 96.7 | Very high | 96.2 | Very high | 99 Ų | 99 | 76.3 Ų | 76.3 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | trans | -120.4 | 148.6 | -178.6 | -74.2 | 172.3 | 19.5 | 0 | 0 | 111.7 | R21 R22 L25 | R21-Q27 CarbonylContact C-O 3.59Å; R22-Q27 WeakPolarHBondContact CA-O 3.41Å; R22-Q27 PolarHBondContact N-O 3.49Å; L25-Q27 HydrophobicContact CB-CB 4.14Å; L25-Q27 HydrophobicContact CB-CG 4.14Å; L25-Q27 WeakPolarHBondContact O-CG 3.43Å; L25-Q27 PolarHBondContact O-N 3.46Å | ||
| 28 | F | 97 | Very high | 96 | Very high | 65 Ų | 65 | 76.4 Ų | 76.4 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | trans | -138.9 | 144.4 | 171.6 | -179.2 | -91.1 | 0 | 0 | 0 | 109.8 | D30 A205 K206 | F28-D30 WeakPolarHBondContact CE1-OD1 3.45Å; F28-A205 HydrophobicContact CD2-CB 4.31Å; F28-A205 HydrophobicContact CE2-CB 4.33Å; F28-K206 HydrophobicContact CD1-CB 4.34Å; F28-K206 HydrophobicContact CD1-CG 4.05Å; F28-K206 HydrophobicContact CD2-CB 4.26Å; F28-K206 HydrophobicContact CE1-CB 3.93Å; F28-K206 HydrophobicContact CE1-CD 3.92Å; F28-K206 HydrophobicContact CE1-CG 3.66Å; F28-K206 HydrophobicContact CE2-CB 3.82Å; F28-K206 HydrophobicContact CE2-CG 4.47Å; F28-K206 HydrophobicContact CZ-CB 3.65Å; F28-K206 HydrophobicContact CZ-CD 4.13Å; F28-K206 HydrophobicContact CZ-CG 3.9Å | ||
| 29 | S | 95.3 | Very high | 95.9 | Very high | 58 Ų | 58 | 76.7 Ų | 76.7 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | trans | -122.6 | 126.9 | 176.4 | 169 | 0 | 0 | 0 | 0 | 108.5 | V31 | S29-V31 PolarHBondContact OG-N 3.38Å; S29-V31 PolarHBondContact OG-O 3.09Å | ||
| 30 | D | 94 | Very high | 95.8 | Very high | 121 Ų | 121 | 78 Ų | 78 | 65% | 0.647 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -71.4 | -22 | 171.4 | -72.5 | -70 | 0 | 0 | 0 | 112 | F28 H32 K206 | F28-D30 WeakPolarHBondContact CE1-OD1 3.45Å; D30-H32 PolarHBondContact O-N 2.89Å; D30-K206 WeakPolarHBondContact OD1-CE 3.39Å; D30-K206 IonicContact OD1-NZ 2.73Å; D30-K206 PolarHBondContact OD1-NZ 3.31Å |
| 31 | V | 94.6 | Very high | 95.8 | Very high | 101 Ų | 101 | 81.3 Ų | 81.3 | 61% | 0.612 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -75.5 | 117.7 | 173 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | S29 | S29-V31 PolarHBondContact OG-N 3.38Å; S29-V31 PolarHBondContact OG-O 3.09Å |
| 32 | H | 92.6 | Very high | 95.7 | Very high | 130 Ų | 130 | 80.3 Ų | 80.3 | 60% | 0.602 | 42% | 0.416 | S | S | * | . | trans | -73.9 | 127.7 | 174 | -178.2 | 57.9 | 0 | 0 | 0 | 110.7 | D30 | D30-H32 PolarHBondContact O-N 2.89Š| ||
| 33 | K | 93.6 | Very high | 95.7 | Very high | 169 Ų | 169 | 79.5 Ų | 79.5 | 74% | 0.735 | 42% | 0.416 | S | S | * | . | trans | -122.7 | 126.5 | 167.8 | -64 | -173.8 | 179.1 | -175.1 | 0 | 108.2 | ||||
| 34 | A | 96 | Very high | 95.5 | Very high | 69 Ų | 69 | 80.1 Ų | 80.1 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | trans | -66.6 | 137.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T36 | A34-T36 PolarHBondContact O-N 2.83Š| ||
| 35 | T | 95.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 78.2 Ų | 78.2 | 17% | 0.172 | 42% | 0.423 | C | S | . | . | trans | -79.1 | 111.8 | 176.1 | -46.7 | 0 | 0 | 0 | 0 | 108.6 | T17 P60 | T17-T35 PolarHBondContact OG1-OG1 3.12Å; T35-P60 WeakPolarHBondContact O-CA 3.39Å; T35-P60 WeakPolarHBondContact O-CB 3.44Å | ||
| 36 | T | 93.5 | Very high | 95.2 | Very high | 126 Ų | 126 | 80.1 Ų | 80.1 | 77% | 0.773 | 43% | 0.428 | S | S | * | . | trans | -95.7 | -26.5 | -173.6 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | A34 | A34-T36 PolarHBondContact O-N 2.83Š| ||
| 37 | K | 92.6 | Very high | 94.9 | Very high | 150 Ų | 150 | 75.7 Ų | 75.7 | 65% | 0.652 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -135.1 | 151.8 | 179.9 | 66.4 | 179.7 | -178 | 179.4 | 0 | 111.3 | T39 | K37-T39 PolarHBondContact O-N 2.84Š|
| 38 | T | 94.9 | Very high | 94.4 | Very high | 35 Ų | 35 | 75.4 Ų | 75.4 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | trans | -68.3 | 128.1 | 172.6 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | M57 D58 T59 P60 E79 | T38-M57 HydrophobicContact CG2-CB 4.4Å; T38-M57 HydrophobicContact CG2-CE 3.95Å; T38-D58 CarbonylContact C-O 3.56Å; T38-D58 VanDerWaalsContact CA-O 3.27Å; T38-D58 WeakPolarHBondContact CA-O 3.42Å; T38-T59 HydrophobicContact CG2-CG2 4.15Å; T38-P60 VanDerWaalsContact OG1-CD 3.3Å; T38-P60 WeakPolarHBondContact OG1-CD 3.37Å; T38-E79 HydrophobicContact CG2-CB 4.18Å | ||
| 39 | T | 95.8 | Very high | 94 | Very high | 43 Ų | 43 | 79.6 Ų | 79.6 | 26% | 0.264 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.7 | 176.2 | -55 | 0 | 0 | 0 | 0 | 109.9 | K37 Y41 D58 | K37-T39 PolarHBondContact O-N 2.84Å; T39-Y41 HydrophobicContact CG2-CD2 4.48Å; T39-Y41 HydrophobicContact CG2-CE1 4.1Å; T39-Y41 HydrophobicContact CG2-CE2 3.78Å; T39-D58 PolarHBondContact N-O 3.31Å; T39-D58 PolarHBondContact O-N 3.22Å |
| 40 | C | 96.9 | Very high | 93.8 | Very high | 28 Ų | 28 | 80.6 Ų | 80.6 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 130.9 | -179.4 | -68.3 | 0 | 0 | 0 | 0 | 111.2 | Y42 K55 I56 E79 | C40-Y42 HydrophobicContact CB-CE2 3.91Å; C40-Y42 WeakPolarHBondContact CB-OH 3.38Å; C40-K55 WeakPolarHBondContact SG-CE 3.17Å; C40-I56 CarbonylContact C-O 3.6Å; C40-I56 VanDerWaalsContact CA-O 3.3Å; C40-I56 WeakPolarHBondContact CA-O 3.23Å; C40-E79 PolarHBondContact SG-OE1 2.88Å; C40-E79 PolarHBondContact SG-OE2 3.33Å |
| 41 | Y | 97.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 80.2 Ų | 80.2 | 28% | 0.278 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 150.6 | 176.5 | -56.4 | -85.8 | 0 | 0 | 0 | 110.8 | V20 L24 T39 P43 K55 I56 D58 | V20-Y41 HydrophobicContact CG1-CD2 3.74Å; V20-Y41 HydrophobicContact CG1-CE2 3.65Å; L24-Y41 VanDerWaalsContact CD1-CB 3.49Å; L24-Y41 HydrophobicContact CD1-CD1 3.4Å; L24-Y41 HydrophobicContact CD1-CD2 3.75Å; L24-Y41 HydrophobicContact CD1-CE1 3.98Å; L24-Y41 HydrophobicContact CD1-CE2 4.29Å; L24-Y41 HydrophobicContact CD1-CG 3.25Å; T39-Y41 HydrophobicContact CG2-CD2 4.48Å; T39-Y41 HydrophobicContact CG2-CE1 4.1Å; T39-Y41 HydrophobicContact CG2-CE2 3.78Å; Y41-P43 VanDerWaalsContact C-CD 3.43Å; Y41-K55 CarbonylContact O-C 3.21Å; Y41-K55 WeakPolarHBondContact O-CA 3.36Å; Y41-I56 PolarHBondContact N-O 3.14Å; Y41-I56 PolarHBondContact O-N 3.25Å; Y41-D58 HydrophobicContact CE2-CB 4.13Å |
| 42 | Y | 97.2 | Very high | 93.7 | Very high | 77 Ų | 77 | 75.7 Ų | 75.7 | 30% | 0.302 | 40% | 0.398 | S | S | . | . | trans | -126 | 56.8 | -172.2 | -59.7 | -84.7 | 0 | 0 | 0 | 113.5 | C40 L54 K55 R260 | C40-Y42 HydrophobicContact CB-CE2 3.91Å; C40-Y42 WeakPolarHBondContact CB-OH 3.38Å; Y42-L54 CarbonylContact C-O 3.57Å; Y42-L54 VanDerWaalsContact CA-O 3.23Å; Y42-L54 WeakPolarHBondContact CA-O 3.48Å; Y42-K55 HydrophobicContact CD1-CB 4.1Å; Y42-K55 HydrophobicContact CD1-CG 4.33Å; Y42-K55 HydrophobicContact CE1-CB 3.67Å; Y42-K55 HydrophobicContact CE1-CD 3.8Å; Y42-K55 HydrophobicContact CE1-CG 3.49Å; Y42-K55 VanDerWaalsContact CE1-CG 3.49Å; Y42-K55 WeakPolarHBondContact OH-CE 3.41Å; Y42-R260 PolarHBondContact OH-NH1 3.34Å; Y42-R260 PolarHBondContact OH-NH2 2.88Å | ||
| 43 | P | 96.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 72.6 Ų | 72.6 | 14% | 0.143 | 38% | 0.384 | C | S | . | . | trans | -74.9 | 149.7 | 178.7 | 33.4 | -38.1 | 0 | 0 | 0 | 112.2 | F23 L24 Y41 L54 I56 | F23-P43 HydrophobicContact CE1-CB 4.2Å; F23-P43 HydrophobicContact CE1-CG 3.82Å; L24-P43 HydrophobicContact CD2-CB 3.62Å; L24-P43 HydrophobicContact CD2-CG 3.56Å; Y41-P43 VanDerWaalsContact C-CD 3.43Å; P43-L54 WeakPolarHBondContact CD-O 3.43Å; P43-L54 HydrophobicContact CG-CB 4.08Å; P43-L54 PolarHBondContact O-N 3Å; P43-I56 HydrophobicContact CG-CD1 3.66Å; P43-I56 HydrophobicContact CG-CG1 4.32Å | ||
| 44 | G | 94.6 | Very high | 94 | Very high | 51 Ų | 51 | 64.6 Ų | 64.6 | 53% | 0.526 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 141.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F52 | G44-F52 CarbonylContact C-O 3.57Å; G44-F52 WeakPolarHBondContact CA-O 3.21Å |
| 45 | I | 94 | Very high | 94 | Very high | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.046 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.5 | 170.5 | -168.8 | 169.4 | 0 | 0 | 0 | 109.5 | F23 F52 L54 F215 V219 | F23-I45 HydrophobicContact CZ-CD1 4.44Å; I45-F52 HydrophobicContact CG2-CB 3.9Å; I45-F52 PolarHBondContact N-O 3.18Å; I45-F52 PolarHBondContact O-N 2.97Å; I45-L54 HydrophobicContact CB-CD1 4.47Å; I45-L54 HydrophobicContact CG2-CD1 4.01Å; I45-L54 HydrophobicContact CG2-CD2 3.86Å; I45-L54 HydrophobicContact CG2-CG 3.8Å; I45-F215 HydrophobicContact CD1-CB 3.98Å; I45-V219 HydrophobicContact CD1-CG2 4.41Å; I45-V219 HydrophobicContact CG2-CG2 3.98Å |
| 46 | F | 93.4 | Very high | 94.1 | Very high | 129 Ų | 129 | 61.4 Ų | 61.4 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.7 | 177.3 | -173.4 | -107.5 | 0 | 0 | 0 | 109.6 | N49 Q50 M51 H216 | F46-N49 VanDerWaalsContact CZ-CA 3.48Å; F46-N49 HydrophobicContact CZ-CB 4.47Å; F46-Q50 WeakPolarHBondContact CA-O 3.42Å; F46-M51 HydrophobicContact CD2-CB 4.31Å; F46-H216 PolarHBondContact O-CE1 3.14Å; F46-H216 VanDerWaalsContact O-CE1 3.22Å |
| 47 | S | 90.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 134.1 | -179.1 | -153.7 | 0 | 0 | 0 | 0 | 110.9 | N49 Q50 N220 R223 | S47-N49 PolarHBondContact O-N 3.5Å; S47-Q50 PolarHBondContact N-O 3.21Å; S47-Q50 PolarHBondContact O-N 3.45Å; S47-Q50 VanDerWaalsContact O-O 3.1Å; S47-N220 PolarHBondContact OG-OD1 3.22Å; S47-R223 PolarHBondContact O-NH1 3.22Å |
| 48 | D | 87.2 | Confident | 94.6 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 50% | 0.503 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 37.9 | 61.4 | -173.1 | -28.9 | -64.5 | 0 | 0 | 0 | 113.4 | Q50 R223 | D48-Q50 PolarHBondContact O-N 2.72Å; D48-R223 IonicContact OD2-CZ 3.03Å; D48-R223 IonicContact OD2-NE 3.4Å; D48-R223 PolarHBondContact OD2-NE 3.02Å; D48-R223 IonicContact OD2-NH1 2.71Å; D48-R223 PolarHBondContact OD2-NH1 3.3Å; D48-R223 IonicContact OD2-NH2 3.7Å |
| 49 | N | 88.6 | Confident | 94.6 | Very high | 152 Ų | 152 | 46.8 Ų | 46.8 | 81% | 0.813 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 15.3 | 179.5 | -76.1 | 51.8 | 0 | 0 | 0 | 115.9 | F46 S47 | F46-N49 VanDerWaalsContact CZ-CA 3.48Å; F46-N49 HydrophobicContact CZ-CB 4.47Å; S47-N49 PolarHBondContact O-N 3.5Å |
| 50 | Q | 90.9 | Very high | 94.5 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.1 | 178.4 | -173.2 | 173.3 | 10.8 | 0 | 0 | 111.5 | F46 S47 D48 F52 | F46-Q50 WeakPolarHBondContact CA-O 3.42Å; S47-Q50 PolarHBondContact N-O 3.21Å; S47-Q50 PolarHBondContact O-N 3.45Å; S47-Q50 VanDerWaalsContact O-O 3.1Å; D48-Q50 PolarHBondContact O-N 2.72Å; Q50-F52 HydrophobicContact CB-CE2 3.71Å; Q50-F52 HydrophobicContact CB-CZ 3.87Å; Q50-F52 VanDerWaalsContact CD-CZ 3.4Å; Q50-F52 HydrophobicContact CG-CD2 4.44Å; Q50-F52 HydrophobicContact CG-CE1 4.13Å; Q50-F52 HydrophobicContact CG-CE2 3.83Å; Q50-F52 HydrophobicContact CG-CZ 3.66Å; Q50-F52 WeakPolarHBondContact O-CD2 3.16Å; Q50-F52 WeakPolarHBondContact O-CE2 3.34Å; Q50-F52 VanDerWaalsContact OE1-CZ 3.23Å |
| 51 | M | 92.5 | Very high | 94.2 | Very high | 113 Ų | 113 | 47.5 Ų | 47.5 | 56% | 0.557 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.9 | 176 | -170.8 | 163.3 | 76.3 | 0 | 0 | 110.7 | M1 P2 F46 | M1-M51 HydrophobicContact CE-CE 4.32Å; M1-M51 HydrophobicContact CE-CG 3.47Å; M1-M51 VanDerWaalsContact CE-CG 3.47Å; M1-M51 HydrophobicContact CE-SD 4.18Å; M1-M51 HydrophobicContact CG-CG 4.35Å; M1-M51 HydrophobicContact SD-CE 3.76Å; M1-M51 HydrophobicContact SD-CG 3.95Å; M1-M51 HydrophobicContact SD-SD 4.39Å; P2-M51 WeakPolarHBondContact CD-O 3.37Å; F46-M51 HydrophobicContact CD2-CB 4.31Å |
| 52 | F | 93.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.5 | -179.4 | -59.3 | -88.6 | 0 | 0 | 0 | 110.6 | M1 P2 I4 G44 I45 Q50 V219 | M1-F52 WeakPolarHBondContact CE-O 3.39Å; P2-F52 HydrophobicContact CB-CD1 4.1Å; P2-F52 HydrophobicContact CG-CD1 4.12Å; P2-F52 HydrophobicContact CG-CE1 4.27Å; I4-F52 HydrophobicContact CD1-CB 4.14Å; I4-F52 HydrophobicContact CD1-CD1 3.64Å; I4-F52 HydrophobicContact CD1-CE1 4.33Å; I4-F52 HydrophobicContact CD1-CG 4.08Å; I4-F52 HydrophobicContact CG1-CD1 4.41Å; G44-F52 CarbonylContact C-O 3.57Å; G44-F52 WeakPolarHBondContact CA-O 3.21Å; I45-F52 HydrophobicContact CG2-CB 3.9Å; I45-F52 PolarHBondContact N-O 3.18Å; I45-F52 PolarHBondContact O-N 2.97Å; Q50-F52 HydrophobicContact CB-CE2 3.71Å; Q50-F52 HydrophobicContact CB-CZ 3.87Å; Q50-F52 VanDerWaalsContact CD-CZ 3.4Å; Q50-F52 HydrophobicContact CG-CD2 4.44Å; Q50-F52 HydrophobicContact CG-CE1 4.13Å; Q50-F52 HydrophobicContact CG-CE2 3.83Å; Q50-F52 HydrophobicContact CG-CZ 3.66Å; Q50-F52 WeakPolarHBondContact O-CD2 3.16Å; Q50-F52 WeakPolarHBondContact O-CE2 3.34Å; Q50-F52 VanDerWaalsContact OE1-CZ 3.23Å; F52-V219 HydrophobicContact CD2-CG1 4.01Å; F52-V219 HydrophobicContact CE2-CG1 3.96Å; F52-V219 HydrophobicContact CG-CG1 4.49Å; F52-V219 HydrophobicContact CZ-CG1 4.4Å |
| 53 | E | 95.7 | Very high | 93.6 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 31% | 0.308 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.1 | 169.3 | -173.3 | -174 | -117.4 | 0 | 0 | 107.7 | M1 P2 C3 I4 | M1-E53 HydrophobicContact CE-CB 3.76Å; M1-E53 VanDerWaalsContact CE-N 3.32Å; M1-E53 HydrophobicContact CG-CB 4.02Å; M1-E53 HydrophobicContact SD-CB 4.05Å; P2-E53 PolarHBondContact O-N 3.37Å; C3-E53 CarbonylContact C-O 3.59Å; C3-E53 VanDerWaalsContact CA-O 3.28Å; C3-E53 WeakPolarHBondContact CA-O 3.36Å; C3-E53 PolarHBondContact SG-OE2 3.04Å; C3-E53 VanDerWaalsContact SG-OE2 3.33Å; I4-E53 PolarHBondContact N-O 2.85Å |
| 54 | L | 96.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.1 | 172.1 | -52.5 | -176.7 | 0 | 0 | 0 | 108.6 | I4 F23 Y42 P43 I45 I56 F215 V219 | I4-L54 HydrophobicContact CB-CD2 3.87Å; I4-L54 HydrophobicContact CD1-CD2 4.3Å; I4-L54 HydrophobicContact CG2-CD2 4.23Å; I4-L54 CarbonylContact O-C 3.55Å; I4-L54 WeakPolarHBondContact O-CA 3.33Å; F23-L54 HydrophobicContact CE1-CD1 4.42Å; Y42-L54 CarbonylContact C-O 3.57Å; Y42-L54 VanDerWaalsContact CA-O 3.23Å; Y42-L54 WeakPolarHBondContact CA-O 3.48Å; P43-L54 WeakPolarHBondContact CD-O 3.43Å; P43-L54 HydrophobicContact CG-CB 4.08Å; P43-L54 PolarHBondContact O-N 3Å; I45-L54 HydrophobicContact CB-CD1 4.47Å; I45-L54 HydrophobicContact CG2-CD1 4.01Å; I45-L54 HydrophobicContact CG2-CD2 3.86Å; I45-L54 HydrophobicContact CG2-CG 3.8Å; L54-I56 HydrophobicContact CB-CD1 4.36Å; L54-I56 HydrophobicContact CB-CG1 3.87Å; L54-I56 HydrophobicContact CD1-CD1 4.21Å; L54-I56 HydrophobicContact CD1-CG1 4.37Å; L54-F215 HydrophobicContact CD1-CD1 4.05Å; L54-V219 HydrophobicContact CD2-CG2 4.07Å |
| 55 | K | 97.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 13% | 0.13 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 93.1 | 157.7 | 174.5 | 177.4 | 176.6 | 172.1 | 0 | 107.2 | I4 K5 V6 C40 Y41 Y42 M57 E79 | I4-K55 PolarHBondContact O-N 2.67Å; K5-K55 WeakPolarHBondContact CA-O 3.2Å; K5-K55 HydrophobicContact CG-CD 4.37Å; V6-K55 PolarHBondContact N-O 2.71Å; C40-K55 WeakPolarHBondContact SG-CE 3.17Å; Y41-K55 CarbonylContact O-C 3.21Å; Y41-K55 WeakPolarHBondContact O-CA 3.36Å; Y42-K55 HydrophobicContact CD1-CB 4.1Å; Y42-K55 HydrophobicContact CD1-CG 4.33Å; Y42-K55 HydrophobicContact CE1-CB 3.67Å; Y42-K55 HydrophobicContact CE1-CD 3.8Å; Y42-K55 HydrophobicContact CE1-CG 3.49Å; Y42-K55 VanDerWaalsContact CE1-CG 3.49Å; Y42-K55 WeakPolarHBondContact OH-CE 3.41Å; K55-M57 HydrophobicContact CG-CG 4.38Å; K55-E79 WeakPolarHBondContact CE-OE2 3.33Å; K55-E79 IonicContact NZ-OE1 2.75Å; K55-E79 PolarHBondContact NZ-OE1 2.76Å; K55-E79 IonicContact NZ-OE2 3.82Å; K55-E79 PolarHBondContact NZ-OE2 2.97Å |
| 56 | I | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 124 | 178.2 | -61.1 | 173.8 | 0 | 0 | 0 | 108.8 | I8 V20 F23 L24 C40 Y41 P43 L54 F215 | I8-I56 HydrophobicContact CD1-CG2 3.71Å; I8-I56 HydrophobicContact CG1-CG2 4.35Å; V20-I56 HydrophobicContact CG1-CG2 4.45Å; V20-I56 HydrophobicContact CG2-CG2 4.1Å; F23-I56 HydrophobicContact CD1-CD1 3.84Å; F23-I56 HydrophobicContact CE1-CD1 3.75Å; L24-I56 HydrophobicContact CD2-CD1 4.46Å; C40-I56 CarbonylContact C-O 3.6Å; C40-I56 VanDerWaalsContact CA-O 3.3Å; C40-I56 WeakPolarHBondContact CA-O 3.23Å; Y41-I56 PolarHBondContact N-O 3.14Å; Y41-I56 PolarHBondContact O-N 3.25Å; P43-I56 HydrophobicContact CG-CD1 3.66Å; P43-I56 HydrophobicContact CG-CG1 4.32Å; L54-I56 HydrophobicContact CB-CD1 4.36Å; L54-I56 HydrophobicContact CB-CG1 3.87Å; L54-I56 HydrophobicContact CD1-CD1 4.21Å; L54-I56 HydrophobicContact CD1-CG1 4.37Å; I56-F215 HydrophobicContact CD1-CD1 4.05Å; I56-F215 HydrophobicContact CD1-CE1 3.51Å; I56-F215 HydrophobicContact CD1-CZ 4.15Å; I56-F215 HydrophobicContact CG1-CE1 4.19Å |
| 57 | M | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 105.3 | 176.5 | -55.9 | -178.7 | 64.7 | 0 | 0 | 109.2 | K5 V6 V7 I8 T38 K55 T59 E79 | K5-M57 HydrophobicContact CD-SD 4.16Å; K5-M57 WeakPolarHBondContact CE-SD 3.38Å; K5-M57 HydrophobicContact CG-SD 3.99Å; V6-M57 PolarHBondContact O-N 3.19Å; V7-M57 HydrophobicContact CG2-CB 4.08Å; V7-M57 HydrophobicContact CG2-CG 4.28Å; V7-M57 HydrophobicContact CG2-SD 3.65Å; I8-M57 PolarHBondContact N-O 3.4Å; T38-M57 HydrophobicContact CG2-CB 4.4Å; T38-M57 HydrophobicContact CG2-CE 3.95Å; K55-M57 HydrophobicContact CG-CG 4.38Å; M57-T59 HydrophobicContact CB-CG2 4.49Å; M57-E79 HydrophobicContact CE-CB 3.59Å; M57-E79 HydrophobicContact CE-CG 4.32Å; M57-E79 WeakPolarHBondContact CE-O 3.28Å; M57-E79 VanDerWaalsContact CE-OE2 3.25Å; M57-E79 WeakPolarHBondContact CE-OE2 3.44Å |
| 58 | D | 97.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 110.1 | 169.3 | -173.1 | 30.9 | 0 | 0 | 0 | 108.3 | T17 V20 T38 T39 Y41 | T17-D58 VanDerWaalsContact CB-OD2 3.26Å; T17-D58 WeakPolarHBondContact CB-OD2 3.43Å; T17-D58 VanDerWaalsContact CG2-OD2 3.25Å; T17-D58 WeakPolarHBondContact CG2-OD2 3.5Å; T17-D58 VanDerWaalsContact OG1-CG 3.24Å; T17-D58 PolarHBondContact OG1-OD1 3.47Å; T17-D58 VanDerWaalsContact OG1-OD1 3.05Å; T17-D58 PolarHBondContact OG1-OD2 3.33Å; V20-D58 HydrophobicContact CG2-CB 4.25Å; T38-D58 CarbonylContact C-O 3.56Å; T38-D58 VanDerWaalsContact CA-O 3.27Å; T38-D58 WeakPolarHBondContact CA-O 3.42Å; T39-D58 PolarHBondContact N-O 3.31Å; T39-D58 PolarHBondContact O-N 3.22Å; Y41-D58 HydrophobicContact CE2-CB 4.13Å |
| 59 | T | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 152.7 | -175.3 | 69.8 | 0 | 0 | 0 | 0 | 111.4 | V7 I8 K16 T38 M57 M62 V81 | V7-T59 HydrophobicContact CG1-CG2 4.05Å; I8-T59 PolarHBondContact O-OG1 2.88Å; K16-T59 WeakPolarHBondContact CE-O 3.21Å; T38-T59 HydrophobicContact CG2-CG2 4.15Å; M57-T59 HydrophobicContact CB-CG2 4.49Å; T59-M62 HydrophobicContact CG2-CE 4.35Å; T59-V81 HydrophobicContact CG2-CG1 4.05Å |
| 60 | P | 94.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 162.7 | 162 | -26 | 36.9 | 0 | 0 | 0 | 112.1 | T35 T38 M62 | T35-P60 WeakPolarHBondContact O-CA 3.39Å; T35-P60 WeakPolarHBondContact O-CB 3.44Å; T38-P60 VanDerWaalsContact OG1-CD 3.3Å; T38-P60 WeakPolarHBondContact OG1-CD 3.37Å; P60-M62 PolarHBondContact O-N 3.48Å |
| 61 | P | 91.6 | Very high | 93.6 | Very high | 58 Ų | 58 | 49 Ų | 49 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 133.7 | 166.9 | -19.7 | 32.6 | 0 | 0 | 0 | 110.5 | A12 | A12-P61 HydrophobicContact CB-CB 3.87Å; A12-P61 HydrophobicContact CB-CG 3.75Å |
| 62 | M | 91.5 | Very high | 93.6 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | trans | -119.1 | 145 | 171.1 | -75.7 | -177.7 | -79.6 | 0 | 0 | 108.1 | L9 T59 P60 V81 F105 | L9-M62 HydrophobicContact CD2-CE 3.26Å; T59-M62 HydrophobicContact CG2-CE 4.35Å; P60-M62 PolarHBondContact O-N 3.48Å; M62-V81 HydrophobicContact CE-CG1 4.41Å; M62-F105 HydrophobicContact CB-CE1 4.33Å; M62-F105 HydrophobicContact CB-CZ 4.02Å; M62-F105 VanDerWaalsContact O-CZ 3.26Å; M62-F105 WeakPolarHBondContact O-CZ 3.37Å | ||
| 63 | E | 89.9 | Confident | 93.4 | Very high | 166 Ų | 166 | 51 Ų | 51 | 78% | 0.776 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -88.7 | -34.3 | 172.8 | -61.2 | -172.7 | 163.9 | 0 | 0 | 111.3 | ||
| 64 | M | 93.1 | Very high | 93.1 | Very high | 102 Ų | 102 | 52.7 Ų | 52.7 | 50% | 0.502 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -137 | 142.5 | -177.4 | -172 | 67.2 | 72.7 | 0 | 0 | 109.7 | Q108 | M64-Q108 HydrophobicContact SD-CG 4.07Å; M64-Q108 PolarHBondContact SD-NE2 2.86Å; M64-Q108 PolarHBondContact SD-OE1 2.81Å |
| 65 | F | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -76.6 | 134.7 | 170.3 | -171.8 | -105.6 | 0 | 0 | 0 | 109.5 | L9 T67 V81 R82 Y87 F105 Q108 L109 Y112 A113 | L9-F65 HydrophobicContact CD1-CD2 4Å; L9-F65 HydrophobicContact CD1-CE2 4.19Å; F65-T67 PolarHBondContact O-N 2.87Å; F65-V81 HydrophobicContact CD2-CG2 4.21Å; F65-V81 HydrophobicContact CE2-CB 4.4Å; F65-V81 HydrophobicContact CE2-CG2 3.78Å; F65-V81 HydrophobicContact CZ-CG2 4.45Å; F65-R82 HydrophobicContact CE1-CG 3.78Å; F65-R82 HydrophobicContact CZ-CB 4.34Å; F65-R82 HydrophobicContact CZ-CG 3.9Å; F65-Y87 HydrophobicContact CE2-CD1 4.48Å; F65-Y87 AromaticContact CE2-CE1 3.75Å; F65-Y87 HydrophobicContact CE2-CE1 3.75Å; F65-Y87 AromaticContact CZ-CE1 3.96Å; F65-Y87 HydrophobicContact CZ-CE1 3.96Å; F65-Y87 AromaticContact CZ-CZ 3.93Å; F65-F105 HydrophobicContact CB-CD1 4.21Å; F65-F105 HydrophobicContact CB-CE1 4.39Å; F65-Q108 HydrophobicContact CB-CB 4.01Å; F65-L109 HydrophobicContact CD1-CD2 4.34Å; F65-L109 HydrophobicContact CD2-CD2 4.11Å; F65-L109 HydrophobicContact CE1-CD2 3.87Å; F65-L109 HydrophobicContact CE2-CD2 3.63Å; F65-L109 HydrophobicContact CG-CD2 4.42Å; F65-L109 HydrophobicContact CZ-CD2 3.46Å; F65-L109 VanDerWaalsContact CZ-CD2 3.46Å; F65-Y112 HydrophobicContact CD1-CD2 4.46Å; F65-A113 HydrophobicContact CE1-CB 4.25Å; F65-A113 HydrophobicContact CZ-CB 4.24Å | ||
| 66 | P | 93.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | trans | -55.9 | 131 | -178.8 | -25.3 | 33.5 | 0 | 0 | 0 | 111.4 | E71 D72 V81 R82 | P66-E71 HydrophobicContact CB-CB 4.47Å; P66-E71 HydrophobicContact CB-CG 4.23Å; P66-D72 HydrophobicContact CB-CB 3.71Å; P66-D72 HydrophobicContact CG-CB 4.15Å; P66-V81 HydrophobicContact CG-CG2 3.85Å; P66-R82 HydrophobicContact CB-CG 4.31Å; P66-R82 WeakPolarHBondContact O-CD 3.41Å; P66-R82 PolarHBondContact O-NH1 3.11Å | ||
| 67 | T | 92 | Very high | 91.9 | Very high | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -88.2 | -23.8 | -175.9 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | F65 E71 R82 Y112 | F65-T67 PolarHBondContact O-N 2.87Å; T67-E71 WeakPolarHBondContact CA-OE2 3.28Å; T67-E71 WeakPolarHBondContact CB-OE2 3.41Å; T67-E71 PolarHBondContact N-OE2 3.27Å; T67-R82 PolarHBondContact O-NH1 3.35Å; T67-Y112 HydrophobicContact CG2-CD1 4.25Å; T67-Y112 HydrophobicContact CG2-CE1 3.56Å; T67-Y112 HydrophobicContact CG2-CE2 4.21Å |
| 68 | S | 90.8 | Very high | 91.2 | Very high | 50 Ų | 50 | 62.5 Ų | 62.5 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -128.4 | 162 | 176.2 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | L70 E71 D72 R82 | S68-L70 VanDerWaalsContact C-N 3.28Å; S68-L70 PolarHBondContact O-N 2.97Å; S68-E71 PolarHBondContact N-OE2 3.37Å; S68-E71 PolarHBondContact O-N 3.38Å; S68-E71 VanDerWaalsContact OG-CB 3.29Å; S68-E71 WeakPolarHBondContact OG-CB 3.27Å; S68-E71 PolarHBondContact OG-N 3.36Å; S68-E71 VanDerWaalsContact OG-N 3.1Å; S68-D72 WeakPolarHBondContact O-CB 3.48Å; S68-D72 PolarHBondContact O-N 2.86Å; S68-R82 WeakPolarHBondContact O-CD 3.29Å |
| 69 | T | 89 | Confident | 90.8 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 66% | 0.656 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.8 | -36.3 | 173.5 | -52.7 | 0 | 0 | 0 | 0 | 112 | D72 W73 | T69-D72 PolarHBondContact O-N 3.04Å; T69-W73 WeakPolarHBondContact O-CB 3.48Å; T69-W73 PolarHBondContact O-N 3.12Å |
| 70 | L | 91 | Very high | 90.5 | Very high | 139 Ų | 139 | 65.5 Ų | 65.5 | 73% | 0.728 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.5 | -45.8 | 179 | -179.5 | 64 | 0 | 0 | 0 | 111 | S68 W73 S74 | S68-L70 VanDerWaalsContact C-N 3.28Å; S68-L70 PolarHBondContact O-N 2.97Å; L70-W73 PolarHBondContact O-N 3.11Å; L70-S74 WeakPolarHBondContact O-CB 3.21Å; L70-S74 PolarHBondContact O-N 3.18Å |
| 71 | E | 91.3 | Very high | 90.4 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 174.9 | -175 | -172.8 | 176.3 | 0 | 0 | 111.4 | P66 T67 S68 W73 S74 V75 | P66-E71 HydrophobicContact CB-CB 4.47Å; P66-E71 HydrophobicContact CB-CG 4.23Å; T67-E71 WeakPolarHBondContact CA-OE2 3.28Å; T67-E71 WeakPolarHBondContact CB-OE2 3.41Å; T67-E71 PolarHBondContact N-OE2 3.27Å; S68-E71 PolarHBondContact N-OE2 3.37Å; S68-E71 PolarHBondContact O-N 3.38Å; S68-E71 VanDerWaalsContact OG-CB 3.29Å; S68-E71 WeakPolarHBondContact OG-CB 3.27Å; S68-E71 PolarHBondContact OG-N 3.36Å; S68-E71 VanDerWaalsContact OG-N 3.1Å; E71-W73 VanDerWaalsContact C-N 3.34Å; E71-W73 PolarHBondContact O-N 2.65Å; E71-S74 PolarHBondContact O-N 2.99Å; E71-S74 VanDerWaalsContact O-N 3.14Å; E71-V75 HydrophobicContact CG-CG2 4.48Å; E71-V75 WeakPolarHBondContact O-CG2 3.47Å; E71-V75 PolarHBondContact O-N 3.08Å |
| 72 | D | 91.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 177.6 | -168.8 | 10.1 | 0 | 0 | 0 | 111.6 | P66 S68 T69 V75 N76 C80 V81 R82 | P66-D72 HydrophobicContact CB-CB 3.71Å; P66-D72 HydrophobicContact CG-CB 4.15Å; S68-D72 WeakPolarHBondContact O-CB 3.48Å; S68-D72 PolarHBondContact O-N 2.86Å; T69-D72 PolarHBondContact O-N 3.04Å; D72-V75 PolarHBondContact O-N 3.27Å; D72-N76 WeakPolarHBondContact O-CA 3.37Å; D72-N76 VanDerWaalsContact O-CB 3.31Å; D72-N76 WeakPolarHBondContact O-CB 3.1Å; D72-N76 PolarHBondContact O-N 3.04Å; D72-N76 PolarHBondContact OD1-ND2 3.45Å; D72-C80 WeakPolarHBondContact OD1-CA 3.36Å; D72-C80 WeakPolarHBondContact OD2-CA 3.42Å; D72-C80 VanDerWaalsContact OD2-CB 3.26Å; D72-C80 WeakPolarHBondContact OD2-CB 3.45Å; D72-V81 VanDerWaalsContact CG-N 3.34Å; D72-V81 PolarHBondContact OD1-N 3.17Å; D72-V81 PolarHBondContact OD2-N 3.04Å; D72-R82 HydrophobicContact CB-CG 4.03Å; D72-R82 WeakPolarHBondContact OD2-CB 3.4Å; D72-R82 WeakPolarHBondContact OD2-CG 3.4Å; D72-R82 PolarHBondContact OD2-N 2.97Å |
| 73 | W | 90.1 | Very high | 90.4 | Very high | 157 Ų | 157 | 65.3 Ų | 65.3 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 174 | -176.6 | -91 | 0 | 0 | 0 | 112.4 | T69 L70 E71 V75 G77 S78 | T69-W73 WeakPolarHBondContact O-CB 3.48Å; T69-W73 PolarHBondContact O-N 3.12Å; L70-W73 PolarHBondContact O-N 3.11Å; E71-W73 VanDerWaalsContact C-N 3.34Å; E71-W73 PolarHBondContact O-N 2.65Å; W73-V75 VanDerWaalsContact C-N 3.29Å; W73-V75 PolarHBondContact O-N 3.11Å; W73-G77 WeakPolarHBondContact O-CA 3.22Å; W73-G77 PolarHBondContact O-N 3.05Å; W73-S78 VanDerWaalsContact CZ3-CA 3.49Å |
| 74 | S | 89.5 | Confident | 90.6 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.1 | -36.4 | 179.2 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | L70 E71 | L70-S74 WeakPolarHBondContact O-CB 3.21Å; L70-S74 PolarHBondContact O-N 3.18Å; E71-S74 PolarHBondContact O-N 2.99Å; E71-S74 VanDerWaalsContact O-N 3.14Å |
| 75 | V | 88.1 | Confident | 90.7 | Very high | 93 Ų | 93 | 56 Ų | 56 | 56% | 0.564 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -90.6 | -42.3 | -176 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | E71 D72 W73 | E71-V75 HydrophobicContact CG-CG2 4.48Å; E71-V75 WeakPolarHBondContact O-CG2 3.47Å; E71-V75 PolarHBondContact O-N 3.08Å; D72-V75 PolarHBondContact O-N 3.27Å; W73-V75 VanDerWaalsContact C-N 3.29Å; W73-V75 PolarHBondContact O-N 3.11Å |
| 76 | N | 89.1 | Confident | 90.7 | Very high | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -109.9 | -3.4 | -171.6 | -57.9 | -60.3 | 0 | 0 | 0 | 113.8 | D72 S78 E79 V81 | D72-N76 WeakPolarHBondContact O-CA 3.37Å; D72-N76 VanDerWaalsContact O-CB 3.31Å; D72-N76 WeakPolarHBondContact O-CB 3.1Å; D72-N76 PolarHBondContact O-N 3.04Å; D72-N76 PolarHBondContact OD1-ND2 3.45Å; N76-S78 PolarHBondContact O-N 2.7Å; N76-E79 WeakPolarHBondContact CB-O 3.3Å; N76-E79 PolarHBondContact O-N 3.43Å; N76-E79 VanDerWaalsContact O-N 3.09Å; N76-V81 HydrophobicContact CB-CG1 4.48Å; N76-V81 WeakPolarHBondContact ND2-CG2 3.44Å |
| 77 | G | 87.8 | Confident | 91 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -136.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W73 E79 C80 | W73-G77 WeakPolarHBondContact O-CA 3.22Å; W73-G77 PolarHBondContact O-N 3.05Å; G77-E79 PolarHBondContact O-N 2.8Å; G77-E79 VanDerWaalsContact O-N 3.16Å; G77-C80 PolarHBondContact O-SG 3.45Å |
| 78 | S | 84.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 53 Ų | 53 | 66% | 0.657 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -11.9 | 176.5 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | W73 N76 C80 | W73-S78 VanDerWaalsContact CZ3-CA 3.49Å; N76-S78 PolarHBondContact O-N 2.7Å; S78-C80 VanDerWaalsContact C-N 3.33Å; S78-C80 PolarHBondContact O-N 3.11Å |
| 79 | E | 88 | Confident | 91.7 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -97.6 | 45.4 | 178.2 | -67.2 | -61.8 | 179.3 | 0 | 0 | 112.1 | T38 C40 K55 M57 N76 G77 V81 | T38-E79 HydrophobicContact CG2-CB 4.18Å; C40-E79 PolarHBondContact SG-OE1 2.88Å; C40-E79 PolarHBondContact SG-OE2 3.33Å; K55-E79 WeakPolarHBondContact CE-OE2 3.33Å; K55-E79 IonicContact NZ-OE1 2.75Å; K55-E79 PolarHBondContact NZ-OE1 2.76Å; K55-E79 IonicContact NZ-OE2 3.82Å; K55-E79 PolarHBondContact NZ-OE2 2.97Å; M57-E79 HydrophobicContact CE-CB 3.59Å; M57-E79 HydrophobicContact CE-CG 4.32Å; M57-E79 WeakPolarHBondContact CE-O 3.28Å; M57-E79 VanDerWaalsContact CE-OE2 3.25Å; M57-E79 WeakPolarHBondContact CE-OE2 3.44Å; N76-E79 WeakPolarHBondContact CB-O 3.3Å; N76-E79 PolarHBondContact O-N 3.43Å; N76-E79 VanDerWaalsContact O-N 3.09Å; G77-E79 PolarHBondContact O-N 2.8Å; G77-E79 VanDerWaalsContact O-N 3.16Å; E79-V81 PolarHBondContact O-N 2.87Å |
| 80 | C | 88.2 | Confident | 92.1 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 14% | 0.142 | 25% | 0.252 | C | S | . | . | trans | -46.8 | 125.5 | 177.8 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | K5 D72 G77 S78 | K5-C80 WeakPolarHBondContact CE-O 3.47Å; K5-C80 PolarHBondContact NZ-O 2.89Å; D72-C80 WeakPolarHBondContact OD1-CA 3.36Å; D72-C80 WeakPolarHBondContact OD2-CA 3.42Å; D72-C80 VanDerWaalsContact OD2-CB 3.26Å; D72-C80 WeakPolarHBondContact OD2-CB 3.45Å; G77-C80 PolarHBondContact O-SG 3.45Å; S78-C80 VanDerWaalsContact C-N 3.33Å; S78-C80 PolarHBondContact O-N 3.11Å | ||
| 81 | V | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -86.1 | -19.7 | -177.1 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | V7 T59 M62 F65 P66 D72 N76 E79 S83 Y87 | V7-V81 HydrophobicContact CG1-CB 4.08Å; V7-V81 HydrophobicContact CG1-CG1 4.12Å; V7-V81 HydrophobicContact CG2-CB 4.24Å; V7-V81 HydrophobicContact CG2-CG1 4.43Å; T59-V81 HydrophobicContact CG2-CG1 4.05Å; M62-V81 HydrophobicContact CE-CG1 4.41Å; F65-V81 HydrophobicContact CD2-CG2 4.21Å; F65-V81 HydrophobicContact CE2-CB 4.4Å; F65-V81 HydrophobicContact CE2-CG2 3.78Å; F65-V81 HydrophobicContact CZ-CG2 4.45Å; P66-V81 HydrophobicContact CG-CG2 3.85Å; D72-V81 VanDerWaalsContact CG-N 3.34Å; D72-V81 PolarHBondContact OD1-N 3.17Å; D72-V81 PolarHBondContact OD2-N 3.04Å; N76-V81 HydrophobicContact CB-CG1 4.48Å; N76-V81 WeakPolarHBondContact ND2-CG2 3.44Å; E79-V81 PolarHBondContact O-N 2.87Å; V81-S83 VanDerWaalsContact C-N 3.28Å; V81-S83 PolarHBondContact O-N 2.92Å; V81-Y87 VanDerWaalsContact O-CE1 3.24Å; V81-Y87 WeakPolarHBondContact O-CE1 3.48Å; V81-Y87 PolarHBondContact O-OH 3.15Å |
| 82 | R | 92.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 36 Ų | 36 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.6 | -176.9 | -68.8 | 177.2 | 60.8 | 94.7 | 0.1 | 115.3 | F65 P66 T67 S68 D72 Y87 Y112 | F65-R82 HydrophobicContact CE1-CG 3.78Å; F65-R82 HydrophobicContact CZ-CB 4.34Å; F65-R82 HydrophobicContact CZ-CG 3.9Å; P66-R82 HydrophobicContact CB-CG 4.31Å; P66-R82 WeakPolarHBondContact O-CD 3.41Å; P66-R82 PolarHBondContact O-NH1 3.11Å; T67-R82 PolarHBondContact O-NH1 3.35Å; S68-R82 WeakPolarHBondContact O-CD 3.29Å; D72-R82 HydrophobicContact CB-CG 4.03Å; D72-R82 WeakPolarHBondContact OD2-CB 3.4Å; D72-R82 WeakPolarHBondContact OD2-CG 3.4Å; D72-R82 PolarHBondContact OD2-N 2.97Å; R82-Y87 WeakPolarHBondContact CA-OH 3.39Å; R82-Y87 PolarHBondContact O-OH 3.35Å; R82-Y87 VanDerWaalsContact O-OH 3.1Å; R82-Y112 PolarHBondContact NH2-O 2.87Å; R82-Y112 VanDerWaalsContact NH2-O 3.09Å |
| 83 | S | 88.8 | Confident | 93.1 | Very high | 57 Ų | 57 | 36.5 Ų | 36.5 | 40% | 0.399 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 28.7 | -173.5 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | K5 V81 | K5-S83 PolarHBondContact NZ-OG 3.36Å; V81-S83 VanDerWaalsContact C-N 3.28Å; V81-S83 PolarHBondContact O-N 2.92Å |
| 84 | A | 95 | Very high | 93.3 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | trans | -82.5 | 148.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K5 V7 A86 Y87 S116 | K5-A84 HydrophobicContact CG-CB 4.23Å; V7-A84 HydrophobicContact CB-CB 4.15Å; V7-A84 HydrophobicContact CG2-CB 3.65Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-Y87 HydrophobicContact CB-CD1 4.4Å; A84-Y87 HydrophobicContact CB-CE1 3.78Å; A84-Y87 HydrophobicContact CB-CE2 3.98Å; A84-Y87 PolarHBondContact N-OH 2.9Å; A84-S116 PolarHBondContact O-OG 2.97Å | ||
| 85 | H | 94.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 29.8 Ų | 29.8 | 31% | 0.31 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -74.4 | -31.8 | 171.8 | -58.6 | 87.3 | 0 | 0 | 0 | 110.6 | I4 K5 S116 A117 | I4-H85 HydrophobicContact CG2-CB 4.12Å; K5-H85 WeakPolarHBondContact CB-ND1 3.14Å; K5-H85 PolarHBondContact N-ND1 3.31Å; K5-H85 PolarHBondContact O-N 3.01Å; H85-S116 WeakPolarHBondContact O-CA 3.19Å; H85-A117 PolarHBondContact O-N 3.37Å |
| 86 | A | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 157.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K5 V6 V7 A84 A117 L218 I222 | K5-A86 PolarHBondContact O-N 3.44Å; V6-A86 WeakPolarHBondContact CA-O 3.45Å; V7-A86 PolarHBondContact N-O 3.29Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A86-A117 CarbonylContact C-O 3.51Å; A86-A117 WeakPolarHBondContact CA-O 3.22Å; A86-A117 HydrophobicContact CB-CB 3.82Å; A86-L218 HydrophobicContact CB-CD1 3.73Å; A86-L218 HydrophobicContact CB-CD2 4.24Å; A86-L218 HydrophobicContact CB-CG 4Å; A86-I222 HydrophobicContact CB-CD1 3.6Å; A86-I222 HydrophobicContact CB-CG1 3.78Å |
| 87 | Y | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.6 | 177.8 | -63.2 | -86.3 | 0 | 0 | 0 | 110.5 | V7 L9 F65 V81 R82 A84 L109 A113 A117 V118 L119 | V7-Y87 HydrophobicContact CB-CD1 3.74Å; V7-Y87 HydrophobicContact CB-CE1 3.79Å; V7-Y87 HydrophobicContact CG1-CD1 4.1Å; V7-Y87 HydrophobicContact CG1-CE1 4.15Å; V7-Y87 HydrophobicContact CG2-CE1 4.27Å; V7-Y87 WeakPolarHBondContact O-CA 3.46Å; L9-Y87 HydrophobicContact CD1-CD1 3.83Å; L9-Y87 HydrophobicContact CD1-CE1 4.49Å; L9-Y87 HydrophobicContact CG-CD1 4.27Å; F65-Y87 HydrophobicContact CE2-CD1 4.48Å; F65-Y87 AromaticContact CE2-CE1 3.75Å; F65-Y87 HydrophobicContact CE2-CE1 3.75Å; F65-Y87 AromaticContact CZ-CE1 3.96Å; F65-Y87 HydrophobicContact CZ-CE1 3.96Å; F65-Y87 AromaticContact CZ-CZ 3.93Å; V81-Y87 VanDerWaalsContact O-CE1 3.24Å; V81-Y87 WeakPolarHBondContact O-CE1 3.48Å; V81-Y87 PolarHBondContact O-OH 3.15Å; R82-Y87 WeakPolarHBondContact CA-OH 3.39Å; R82-Y87 PolarHBondContact O-OH 3.35Å; R82-Y87 VanDerWaalsContact O-OH 3.1Å; A84-Y87 HydrophobicContact CB-CD1 4.4Å; A84-Y87 HydrophobicContact CB-CE1 3.78Å; A84-Y87 HydrophobicContact CB-CE2 3.98Å; A84-Y87 PolarHBondContact N-OH 2.9Å; Y87-L109 HydrophobicContact CD1-CD1 4.23Å; Y87-L109 HydrophobicContact CD1-CD2 3.77Å; Y87-L109 HydrophobicContact CD2-CD1 4.1Å; Y87-L109 HydrophobicContact CD2-CD2 3.67Å; Y87-L109 HydrophobicContact CD2-CG 4.5Å; Y87-L109 HydrophobicContact CE1-CD2 3.77Å; Y87-L109 HydrophobicContact CE2-CD2 3.66Å; Y87-L109 HydrophobicContact CG-CD1 3.73Å; Y87-L109 HydrophobicContact CG-CD2 3.73Å; Y87-L109 HydrophobicContact CG-CG 4.41Å; Y87-A113 HydrophobicContact CE2-CB 3.7Å; Y87-A117 PolarHBondContact N-O 3.03Å; Y87-V118 WeakPolarHBondContact O-CA 3.41Å; Y87-L119 PolarHBondContact O-N 3.47Å |
| 88 | L | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 115.9 | 165.4 | -75 | 173.3 | 0 | 0 | 0 | 108.4 | V6 V7 I8 L9 L119 V121 V214 F215 L218 | V6-L88 HydrophobicContact CG1-CD1 4.16Å; V6-L88 HydrophobicContact CG1-CG 4.23Å; V7-L88 PolarHBondContact O-N 2.73Å; I8-L88 CarbonylContact C-O 3.45Å; I8-L88 WeakPolarHBondContact CA-O 3.35Å; I8-L88 HydrophobicContact CB-CB 4.47Å; I8-L88 HydrophobicContact CD1-CD1 4.21Å; I8-L88 HydrophobicContact CG1-CB 4.18Å; I8-L88 HydrophobicContact CG1-CD1 4.05Å; I8-L88 HydrophobicContact CG2-CB 4.22Å; L9-L88 PolarHBondContact N-O 2.8Å; L88-L119 WeakPolarHBondContact CA-O 3.48Å; L88-L119 HydrophobicContact CD2-CB 4Å; L88-L119 HydrophobicContact CD2-CD2 3.72Å; L88-L119 HydrophobicContact CD2-CG 3.96Å; L88-V121 HydrophobicContact CD2-CG2 3.9Å; L88-V214 HydrophobicContact CD1-CG1 4.02Å; L88-V214 HydrophobicContact CD2-CG1 3.55Å; L88-V214 HydrophobicContact CG-CG1 4.48Å; L88-F215 HydrophobicContact CD1-CD1 4.37Å; L88-F215 HydrophobicContact CD1-CE1 3.81Å; L88-F215 HydrophobicContact CD1-CZ 4.14Å; L88-L218 HydrophobicContact CD1-CD2 4.23Å; L88-L218 HydrophobicContact CD2-CB 4.5Å; L88-L218 HydrophobicContact CD2-CD1 3.85Å; L88-L218 HydrophobicContact CD2-CD2 4.24Å; L88-L218 HydrophobicContact CD2-CG 4.44Å; L88-L218 HydrophobicContact CG-CD1 4.14Å; L88-L218 HydrophobicContact CG-CD2 3.98Å |
| 89 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.3 | 173.8 | -54.1 | 176.8 | 0 | 0 | 0 | 108.3 | A102 F105 R106 L109 V118 L119 V120 V121 | I89-A102 HydrophobicContact CG2-CB 3.49Å; I89-A102 VanDerWaalsContact CG2-CB 3.49Å; I89-F105 HydrophobicContact CD1-CB 4.26Å; I89-F105 HydrophobicContact CG2-CB 4.31Å; I89-R106 HydrophobicContact CD1-CB 3.72Å; I89-L109 HydrophobicContact CD1-CD1 3.87Å; I89-L109 HydrophobicContact CG1-CD1 4.13Å; I89-V118 HydrophobicContact CD1-CG1 3.56Å; I89-V118 HydrophobicContact CG1-CG1 4Å; I89-L119 PolarHBondContact N-O 3.36Å; I89-V120 HydrophobicContact CB-CG2 4.31Å; I89-V120 HydrophobicContact CD1-CG2 4.41Å; I89-V120 CarbonylContact O-C 3.59Å; I89-V120 WeakPolarHBondContact O-CA 3.46Å; I89-V121 PolarHBondContact O-N 3.37Å |
| 90 | V | 98.8 | Very high | 96 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.1 | -175.5 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | I8 L9 G10 C14 K16 I19 V121 N123 | I8-V90 HydrophobicContact CG2-CG2 3.71Å; L9-V90 PolarHBondContact O-N 3.03Å; G10-V90 VanDerWaalsContact CA-O 3.3Å; G10-V90 WeakPolarHBondContact CA-O 3.41Å; C14-V90 PolarHBondContact SG-O 3.02Å; K16-V90 HydrophobicContact CG-CB 4.25Å; K16-V90 HydrophobicContact CG-CG2 4.44Å; I19-V90 HydrophobicContact CD1-CG1 3.71Å; I19-V90 HydrophobicContact CD1-CG2 4.03Å; V90-V121 WeakPolarHBondContact CA-O 3.37Å; V90-V121 HydrophobicContact CG2-CB 4.3Å; V90-N123 HydrophobicContact CG1-CB 3.86Å |
| 91 | F | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.2 | 167.1 | 70.5 | -91.8 | 0 | 0 | 0 | 111.3 | V93 S98 F99 A102 V120 V121 A122 N123 L188 F200 | F91-V93 HydrophobicContact CE2-CG1 4.3Å; F91-S98 WeakPolarHBondContact CB-O 3.24Å; F91-F99 HydrophobicContact CD1-CD2 4.11Å; F91-F99 HydrophobicContact CD2-CB 4.19Å; F91-F99 AromaticContact CD2-CD2 3.91Å; F91-F99 HydrophobicContact CD2-CD2 3.91Å; F91-F99 AromaticContact CE1-CD2 3.86Å; F91-F99 HydrophobicContact CE1-CD2 3.86Å; F91-F99 HydrophobicContact CE1-CE2 4.13Å; F91-F99 AromaticContact CE2-CD2 3.67Å; F91-F99 HydrophobicContact CE2-CD2 3.67Å; F91-F99 HydrophobicContact CE2-CE2 4.36Å; F91-F99 HydrophobicContact CG-CD2 4.12Å; F91-F99 AromaticContact CZ-CD2 3.62Å; F91-F99 HydrophobicContact CZ-CD2 3.62Å; F91-F99 AromaticContact CZ-CE2 3.91Å; F91-F99 HydrophobicContact CZ-CE2 3.91Å; F91-A102 HydrophobicContact CB-CB 4Å; F91-A102 HydrophobicContact CD1-CB 4.12Å; F91-A102 HydrophobicContact CG-CB 4.43Å; F91-V120 HydrophobicContact CD1-CG1 3.94Å; F91-V120 HydrophobicContact CE1-CG1 3.65Å; F91-V121 WeakPolarHBondContact CD1-O 3.49Å; F91-V121 PolarHBondContact N-O 2.91Å; F91-A122 HydrophobicContact CE1-CB 4.07Å; F91-A122 HydrophobicContact CE2-CB 3.91Å; F91-A122 HydrophobicContact CZ-CB 3.55Å; F91-N123 WeakPolarHBondContact O-CB 3.46Å; F91-N123 PolarHBondContact O-N 3.23Å; F91-L188 HydrophobicContact CE2-CD1 4.3Å; F91-L188 HydrophobicContact CZ-CD1 4.49Å; F91-F200 AromaticContact CE1-CE2 3.92Å; F91-F200 HydrophobicContact CE1-CE2 3.92Å; F91-F200 AromaticContact CZ-CE2 3.86Å; F91-F200 HydrophobicContact CZ-CE2 3.86Å; F91-F200 HydrophobicContact CZ-CZ 4.41Å |
| 92 | D | 98.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.2 | 174.8 | 176.9 | -3.1 | 0 | 0 | 0 | 108.9 | C14 T94 S95 S98 K124 | C14-D92 HydrophobicContact CB-CB 4.24Å; D92-T94 PolarHBondContact O-N 2.82Å; D92-T94 VanDerWaalsContact O-N 3.07Å; D92-T94 PolarHBondContact OD1-N 2.73Å; D92-T94 PolarHBondContact OD1-OG1 2.97Å; D92-T94 PolarHBondContact OD2-OG1 3.23Å; D92-S95 PolarHBondContact O-N 2.88Å; D92-S98 PolarHBondContact N-OG 3.16Å; D92-S98 PolarHBondContact O-OG 2.87Å; D92-K124 HydrophobicContact CB-CD 4.33Å; D92-K124 WeakPolarHBondContact OD2-CD 3.45Å; D92-K124 VanDerWaalsContact OD2-CE 3.24Å; D92-K124 WeakPolarHBondContact OD2-CE 3.47Å; D92-K124 IonicContact OD2-NZ 2.8Å; D92-K124 PolarHBondContact OD2-NZ 3.46Å |
| 93 | V | 97.1 | Very high | 97 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.1 | -179.3 | -64.1 | 0 | 0 | 0 | 0 | 113.7 | F91 A122 N123 K124 T125 L128 | F91-V93 HydrophobicContact CE2-CG1 4.3Å; V93-A122 HydrophobicContact CG1-CB 3.65Å; V93-N123 WeakPolarHBondContact CG2-O 3.34Å; V93-N123 PolarHBondContact N-O 3.31Å; V93-K124 WeakPolarHBondContact CG2-O 3.39Å; V93-T125 HydrophobicContact CG1-CG2 4.11Å; V93-L128 HydrophobicContact CB-CD2 4.37Å; V93-L128 HydrophobicContact CG2-CD1 4.44Å; V93-L128 HydrophobicContact CG2-CD2 3.91Å; V93-L128 HydrophobicContact CG2-CG 3.99Å |
| 94 | T | 95.1 | Very high | 97.4 | Very high | 79 Ų | 79 | 39.5 Ų | 39.5 | 49% | 0.485 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -4.4 | 176.8 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | D92 K127 | D92-T94 PolarHBondContact O-N 2.82Å; D92-T94 VanDerWaalsContact O-N 3.07Å; D92-T94 PolarHBondContact OD1-N 2.73Å; D92-T94 PolarHBondContact OD1-OG1 2.97Å; D92-T94 PolarHBondContact OD2-OG1 3.23Å; T94-K127 HydrophobicContact CG2-CB 3.52Å; T94-K127 HydrophobicContact CG2-CD 4.03Å; T94-K127 HydrophobicContact CG2-CG 4.45Å |
| 95 | S | 96.8 | Very high | 97.6 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | trans | -120.2 | 104.9 | -175.9 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | D92 E97 S98 F99 | D92-S95 PolarHBondContact O-N 2.88Å; S95-E97 PolarHBondContact O-N 3.29Å; S95-S98 WeakPolarHBondContact CB-OG 3.44Å; S95-S98 PolarHBondContact O-N 3.35Å; S95-S98 VanDerWaalsContact O-N 3.14Å; S95-S98 PolarHBondContact O-OG 3.26Å; S95-S98 PolarHBondContact OG-N 3.4Å; S95-F99 PolarHBondContact O-N 2.76Å | ||
| 96 | R | 96.1 | Very high | 97.7 | Very high | 162 Ų | 162 | 37.9 Ų | 37.9 | 61% | 0.611 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -56.5 | -34.7 | 172.9 | -172.2 | 174.5 | -177.9 | -173.6 | -0.8 | 112 | F99 R100 | R96-F99 PolarHBondContact O-N 3.27Å; R96-R100 VanDerWaalsContact NE-NH2 3.17Å; R96-R100 WeakPolarHBondContact O-CG 3.31Å; R96-R100 PolarHBondContact O-N 2.97Å |
| 97 | E | 97.6 | Very high | 97.7 | Very high | 101 Ų | 101 | 41 Ų | 41 | 47% | 0.472 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 178.9 | -167.8 | 50.7 | -138.5 | 0 | 0 | 112 | S95 F99 R100 M101 | S95-E97 PolarHBondContact O-N 3.29Å; E97-F99 PolarHBondContact O-N 2.82Å; E97-R100 PolarHBondContact O-N 2.81Å; E97-R100 IonicContact OE2-CZ 3.77Å; E97-R100 IonicContact OE2-NH1 3.51Å; E97-R100 PolarHBondContact OE2-NH1 2.97Å; E97-M101 PolarHBondContact O-N 3.05Å |
| 98 | S | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -33.3 | 174.9 | 77 | 0 | 0 | 0 | 0 | 112.7 | S11 F91 D92 S95 A102 | S11-S98 WeakPolarHBondContact OG-CB 3.4Å; F91-S98 WeakPolarHBondContact CB-O 3.24Å; D92-S98 PolarHBondContact N-OG 3.16Å; D92-S98 PolarHBondContact O-OG 2.87Å; S95-S98 WeakPolarHBondContact CB-OG 3.44Å; S95-S98 PolarHBondContact O-N 3.35Å; S95-S98 VanDerWaalsContact O-N 3.14Å; S95-S98 PolarHBondContact O-OG 3.26Å; S95-S98 PolarHBondContact OG-N 3.4Å; S98-A102 WeakPolarHBondContact O-CB 3.33Å; S98-A102 PolarHBondContact O-N 3.34Å |
| 99 | F | 98.3 | Very high | 97.6 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.6 | -41.6 | 175.7 | -176.6 | -106.7 | 0 | 0 | 0 | 112.4 | F91 S95 R96 E97 M101 A102 K103 L188 I191 V192 W196 | F91-F99 HydrophobicContact CD1-CD2 4.11Å; F91-F99 HydrophobicContact CD2-CB 4.19Å; F91-F99 AromaticContact CD2-CD2 3.91Å; F91-F99 HydrophobicContact CD2-CD2 3.91Å; F91-F99 AromaticContact CE1-CD2 3.86Å; F91-F99 HydrophobicContact CE1-CD2 3.86Å; F91-F99 HydrophobicContact CE1-CE2 4.13Å; F91-F99 AromaticContact CE2-CD2 3.67Å; F91-F99 HydrophobicContact CE2-CD2 3.67Å; F91-F99 HydrophobicContact CE2-CE2 4.36Å; F91-F99 HydrophobicContact CG-CD2 4.12Å; F91-F99 AromaticContact CZ-CD2 3.62Å; F91-F99 HydrophobicContact CZ-CD2 3.62Å; F91-F99 AromaticContact CZ-CE2 3.91Å; F91-F99 HydrophobicContact CZ-CE2 3.91Å; S95-F99 PolarHBondContact O-N 2.76Å; R96-F99 PolarHBondContact O-N 3.27Å; E97-F99 PolarHBondContact O-N 2.82Å; F99-M101 VanDerWaalsContact C-N 3.34Å; F99-A102 WeakPolarHBondContact O-CB 3.33Å; F99-A102 PolarHBondContact O-N 2.93Å; F99-K103 PolarHBondContact O-N 3.31Å; F99-L188 HydrophobicContact CD2-CD2 4.07Å; F99-L188 HydrophobicContact CE1-CD2 4.47Å; F99-L188 HydrophobicContact CE2-CD2 3.74Å; F99-L188 HydrophobicContact CZ-CD2 3.95Å; F99-I191 HydrophobicContact CE1-CG2 4.46Å; F99-I191 HydrophobicContact CZ-CB 4.41Å; F99-I191 HydrophobicContact CZ-CD1 4.47Å; F99-I191 HydrophobicContact CZ-CG2 3.85Å; F99-V192 HydrophobicContact CE2-CG2 4.04Å; F99-W196 HydrophobicContact CD1-CH2 4.49Å; F99-W196 AromaticContact CD2-CH2 3.85Å; F99-W196 HydrophobicContact CD2-CH2 3.85Å; F99-W196 HydrophobicContact CE1-CH2 4.09Å; F99-W196 AromaticContact CE1-CZ2 3.82Å; F99-W196 HydrophobicContact CE1-CZ2 3.82Å; F99-W196 AromaticContact CE2-CH2 3.38Å; F99-W196 HydrophobicContact CE2-CH2 3.38Å; F99-W196 AromaticContact CE2-CZ2 3.82Å; F99-W196 HydrophobicContact CE2-CZ2 3.82Å; F99-W196 HydrophobicContact CE2-CZ3 4.15Å; F99-W196 HydrophobicContact CG-CH2 4.39Å; F99-W196 AromaticContact CZ-CH2 3.53Å; F99-W196 HydrophobicContact CZ-CH2 3.53Å; F99-W196 AromaticContact CZ-CZ2 3.42Å; F99-W196 HydrophobicContact CZ-CZ2 3.42Å; F99-W196 VanDerWaalsContact CZ-CZ2 3.42Å |
| 100 | R | 98 | Very high | 97.4 | Very high | 115 Ų | 115 | 47.5 Ų | 47.5 | 43% | 0.434 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.5 | -45 | 172.9 | -69.4 | -178.5 | -169 | 121.4 | -6.6 | 111.2 | R96 E97 A102 K103 N104 | R96-R100 VanDerWaalsContact NE-NH2 3.17Å; R96-R100 WeakPolarHBondContact O-CG 3.31Å; R96-R100 PolarHBondContact O-N 2.97Å; E97-R100 PolarHBondContact O-N 2.81Å; E97-R100 IonicContact OE2-CZ 3.77Å; E97-R100 IonicContact OE2-NH1 3.51Å; E97-R100 PolarHBondContact OE2-NH1 2.97Å; R100-A102 VanDerWaalsContact C-N 3.33Å; R100-A102 PolarHBondContact O-N 2.59Å; R100-K103 WeakPolarHBondContact O-CB 3.44Å; R100-K103 PolarHBondContact O-N 2.93Å; R100-N104 PolarHBondContact O-N 2.8Å |
| 101 | M | 97.9 | Very high | 97.1 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 177.5 | -169.5 | 179.8 | -75.2 | 0 | 0 | 111.9 | S11 E97 F99 K103 N104 F105 | S11-M101 WeakPolarHBondContact CA-SD 3.3Å; S11-M101 WeakPolarHBondContact CB-SD 3.3Å; E97-M101 PolarHBondContact O-N 3.05Å; F99-M101 VanDerWaalsContact C-N 3.34Å; M101-K103 VanDerWaalsContact C-N 3.32Å; M101-K103 PolarHBondContact O-N 3.23Å; M101-N104 WeakPolarHBondContact O-CB 3.45Å; M101-N104 PolarHBondContact O-N 3.41Å; M101-F105 HydrophobicContact CG-CD2 3.96Å; M101-F105 HydrophobicContact CG-CE2 3.65Å; M101-F105 VanDerWaalsContact O-CD2 3.31Å; M101-F105 WeakPolarHBondContact O-CD2 3.38Å; M101-F105 PolarHBondContact O-N 2.93Å; M101-F105 HydrophobicContact SD-CE2 3.92Å |
| 102 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I89 F91 S98 F99 R100 F105 R106 W196 | I89-A102 HydrophobicContact CG2-CB 3.49Å; I89-A102 VanDerWaalsContact CG2-CB 3.49Å; F91-A102 HydrophobicContact CB-CB 4Å; F91-A102 HydrophobicContact CD1-CB 4.12Å; F91-A102 HydrophobicContact CG-CB 4.43Å; S98-A102 WeakPolarHBondContact O-CB 3.33Å; S98-A102 PolarHBondContact O-N 3.34Å; F99-A102 WeakPolarHBondContact O-CB 3.33Å; F99-A102 PolarHBondContact O-N 2.93Å; R100-A102 VanDerWaalsContact C-N 3.33Å; R100-A102 PolarHBondContact O-N 2.59Å; A102-F105 PolarHBondContact O-N 3.42Å; A102-R106 WeakPolarHBondContact O-CB 3.48Å; A102-R106 PolarHBondContact O-N 2.98Å; A102-W196 HydrophobicContact CB-CH2 4.43Å; A102-W196 HydrophobicContact CB-CZ3 4.31Å |
| 103 | K | 98.1 | Very high | 96.5 | Very high | 99 Ų | 99 | 54.9 Ų | 54.9 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 172.3 | -169.7 | -176.7 | 172.2 | -171.4 | 0 | 111.4 | F99 R100 M101 F105 R106 D107 W196 | F99-K103 PolarHBondContact O-N 3.31Å; R100-K103 WeakPolarHBondContact O-CB 3.44Å; R100-K103 PolarHBondContact O-N 2.93Å; M101-K103 VanDerWaalsContact C-N 3.32Å; M101-K103 PolarHBondContact O-N 3.23Å; K103-F105 PolarHBondContact O-N 3.05Å; K103-R106 WeakPolarHBondContact O-CB 3.35Å; K103-R106 PolarHBondContact O-N 3.39Å; K103-R106 VanDerWaalsContact O-N 3.1Å; K103-D107 PolarHBondContact O-N 2.9Å; K103-W196 HydrophobicContact CB-CH2 3.7Å; K103-W196 HydrophobicContact CB-CZ2 3.43Å; K103-W196 VanDerWaalsContact CB-CZ2 3.43Å; K103-W196 HydrophobicContact CB-CZ3 4.45Å; K103-W196 HydrophobicContact CD-CZ2 4.11Å; K103-W196 HydrophobicContact CG-CD2 4.5Å; K103-W196 HydrophobicContact CG-CH2 4.38Å; K103-W196 HydrophobicContact CG-CZ2 3.69Å |
| 104 | N | 97.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 179.7 | -167.7 | 29.1 | 0 | 0 | 0 | 111.5 | R100 M101 R106 D107 Q108 | R100-N104 PolarHBondContact O-N 2.8Å; M101-N104 WeakPolarHBondContact O-CB 3.45Å; M101-N104 PolarHBondContact O-N 3.41Å; N104-R106 VanDerWaalsContact C-N 3.34Å; N104-R106 PolarHBondContact O-N 3.38Å; N104-D107 PolarHBondContact O-N 3.22Å; N104-Q108 PolarHBondContact ND2-NE2 2.85Å; N104-Q108 VanDerWaalsContact O-CG 3.26Å; N104-Q108 WeakPolarHBondContact O-CG 3.18Å; N104-Q108 PolarHBondContact O-N 3.22Å; N104-Q108 PolarHBondContact O-NE2 2.99Å; N104-Q108 PolarHBondContact OD1-NE2 3.49Å |
| 105 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 173.5 | -79.7 | -54.4 | 0 | 0 | 0 | 112.8 | L9 M62 F65 I89 M101 A102 K103 D107 Q108 L109 | L9-F105 HydrophobicContact CB-CD1 4.47Å; L9-F105 HydrophobicContact CB-CD2 4.28Å; L9-F105 HydrophobicContact CB-CE2 4.46Å; L9-F105 HydrophobicContact CB-CG 4.29Å; L9-F105 HydrophobicContact CD1-CD1 4.09Å; L9-F105 HydrophobicContact CD1-CG 4.38Å; M62-F105 HydrophobicContact CB-CE1 4.33Å; M62-F105 HydrophobicContact CB-CZ 4.02Å; M62-F105 VanDerWaalsContact O-CZ 3.26Å; M62-F105 WeakPolarHBondContact O-CZ 3.37Å; F65-F105 HydrophobicContact CB-CD1 4.21Å; F65-F105 HydrophobicContact CB-CE1 4.39Å; I89-F105 HydrophobicContact CD1-CB 4.26Å; I89-F105 HydrophobicContact CG2-CB 4.31Å; M101-F105 HydrophobicContact CG-CD2 3.96Å; M101-F105 HydrophobicContact CG-CE2 3.65Å; M101-F105 VanDerWaalsContact O-CD2 3.31Å; M101-F105 WeakPolarHBondContact O-CD2 3.38Å; M101-F105 PolarHBondContact O-N 2.93Å; M101-F105 HydrophobicContact SD-CE2 3.92Å; A102-F105 PolarHBondContact O-N 3.42Å; K103-F105 PolarHBondContact O-N 3.05Å; F105-D107 VanDerWaalsContact C-N 3.31Å; F105-D107 PolarHBondContact O-N 3.37Å; F105-Q108 PolarHBondContact O-N 2.94Å; F105-L109 WeakPolarHBondContact O-CB 3.48Å; F105-L109 VanDerWaalsContact O-CG 3.25Å; F105-L109 WeakPolarHBondContact O-CG 3.14Å; F105-L109 PolarHBondContact O-N 2.95Å |
| 106 | R | 97.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 177.3 | 172.3 | -93.4 | 172.2 | -123.6 | -11.8 | 111.3 | I89 A102 K103 N104 Q110 W196 | I89-R106 HydrophobicContact CD1-CB 3.72Å; A102-R106 WeakPolarHBondContact O-CB 3.48Å; A102-R106 PolarHBondContact O-N 2.98Å; K103-R106 WeakPolarHBondContact O-CB 3.35Å; K103-R106 PolarHBondContact O-N 3.39Å; K103-R106 VanDerWaalsContact O-N 3.1Å; N104-R106 VanDerWaalsContact C-N 3.34Å; N104-R106 PolarHBondContact O-N 3.38Å; R106-Q110 PolarHBondContact O-N 3.32Å; R106-Q110 VanDerWaalsContact O-N 3.1Å; R106-W196 HydrophobicContact CG-CB 4.23Å; R106-W196 PolarHBondContact NE-O 3.27Å; R106-W196 PolarHBondContact NH2-O 3.19Å |
| 107 | D | 97.1 | Very high | 95.4 | Very high | 66 Ų | 66 | 49 Ų | 49 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 179.9 | -67 | -22.6 | 0 | 0 | 0 | 111.4 | K103 N104 F105 Q110 A111 | K103-D107 PolarHBondContact O-N 2.9Å; N104-D107 PolarHBondContact O-N 3.22Å; F105-D107 VanDerWaalsContact C-N 3.31Å; F105-D107 PolarHBondContact O-N 3.37Å; D107-Q110 WeakPolarHBondContact O-CB 3.47Å; D107-Q110 PolarHBondContact O-N 2.83Å; D107-A111 PolarHBondContact O-N 3.09Å |
| 108 | Q | 96.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 175.3 | -68.4 | 161.7 | 27.6 | 0 | 0 | 112.6 | M64 F65 N104 F105 Q110 A111 Y112 | M64-Q108 HydrophobicContact SD-CG 4.07Å; M64-Q108 PolarHBondContact SD-NE2 2.86Å; M64-Q108 PolarHBondContact SD-OE1 2.81Å; F65-Q108 HydrophobicContact CB-CB 4.01Å; N104-Q108 PolarHBondContact ND2-NE2 2.85Å; N104-Q108 VanDerWaalsContact O-CG 3.26Å; N104-Q108 WeakPolarHBondContact O-CG 3.18Å; N104-Q108 PolarHBondContact O-N 3.22Å; N104-Q108 PolarHBondContact O-NE2 2.99Å; N104-Q108 PolarHBondContact OD1-NE2 3.49Å; F105-Q108 PolarHBondContact O-N 2.94Å; Q108-Q110 VanDerWaalsContact C-N 3.28Å; Q108-Q110 PolarHBondContact O-N 3.1Å; Q108-A111 PolarHBondContact O-N 3.27Å; Q108-A111 VanDerWaalsContact O-N 3.09Å; Q108-Y112 HydrophobicContact CB-CD2 4.13Å; Q108-Y112 HydrophobicContact CB-CE2 4.43Å; Q108-Y112 VanDerWaalsContact O-CB 3.32Å; Q108-Y112 WeakPolarHBondContact O-CB 3.41Å; Q108-Y112 WeakPolarHBondContact O-CD2 3.19Å; Q108-Y112 PolarHBondContact O-N 3.12Å |
| 109 | L | 96 | Very high | 95.4 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -35.9 | 176.4 | -75.5 | 173.8 | 0 | 0 | 0 | 111.8 | L9 F65 Y87 I89 F105 A111 Y112 A113 A114 V118 | L9-L109 HydrophobicContact CD1-CD1 3.88Å; L9-L109 HydrophobicContact CD1-CD2 4.24Å; L9-L109 HydrophobicContact CD1-CG 4.28Å; F65-L109 HydrophobicContact CD1-CD2 4.34Å; F65-L109 HydrophobicContact CD2-CD2 4.11Å; F65-L109 HydrophobicContact CE1-CD2 3.87Å; F65-L109 HydrophobicContact CE2-CD2 3.63Å; F65-L109 HydrophobicContact CG-CD2 4.42Å; F65-L109 HydrophobicContact CZ-CD2 3.46Å; F65-L109 VanDerWaalsContact CZ-CD2 3.46Å; Y87-L109 HydrophobicContact CD1-CD1 4.23Å; Y87-L109 HydrophobicContact CD1-CD2 3.77Å; Y87-L109 HydrophobicContact CD2-CD1 4.1Å; Y87-L109 HydrophobicContact CD2-CD2 3.67Å; Y87-L109 HydrophobicContact CD2-CG 4.5Å; Y87-L109 HydrophobicContact CE1-CD2 3.77Å; Y87-L109 HydrophobicContact CE2-CD2 3.66Å; Y87-L109 HydrophobicContact CG-CD1 3.73Å; Y87-L109 HydrophobicContact CG-CD2 3.73Å; Y87-L109 HydrophobicContact CG-CG 4.41Å; I89-L109 HydrophobicContact CD1-CD1 3.87Å; I89-L109 HydrophobicContact CG1-CD1 4.13Å; F105-L109 WeakPolarHBondContact O-CB 3.48Å; F105-L109 VanDerWaalsContact O-CG 3.25Å; F105-L109 WeakPolarHBondContact O-CG 3.14Å; F105-L109 PolarHBondContact O-N 2.95Å; L109-A111 VanDerWaalsContact C-N 3.29Å; L109-A111 PolarHBondContact O-N 3.34Å; L109-Y112 PolarHBondContact O-N 2.85Å; L109-A113 HydrophobicContact CD2-CB 3.67Å; L109-A113 CarbonylContact O-C 3.59Å; L109-A113 WeakPolarHBondContact O-CA 3.16Å; L109-A113 PolarHBondContact O-N 3.25Å; L109-A114 PolarHBondContact O-N 2.85Å; L109-V118 HydrophobicContact CD1-CG1 4.43Å; L109-V118 HydrophobicContact CD1-CG2 4.15Å |
| 110 | Q | 94.2 | Very high | 95.4 | Very high | 121 Ų | 121 | 43.9 Ų | 43.9 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.3 | -38.2 | 173.4 | -175.9 | 178.1 | -21.7 | 0 | 0 | 111.7 | R106 D107 Q108 | R106-Q110 PolarHBondContact O-N 3.32Å; R106-Q110 VanDerWaalsContact O-N 3.1Å; D107-Q110 WeakPolarHBondContact O-CB 3.47Å; D107-Q110 PolarHBondContact O-N 2.83Å; Q108-Q110 VanDerWaalsContact C-N 3.28Å; Q108-Q110 PolarHBondContact O-N 3.1Å |
| 111 | A | 93.3 | Very high | 95.5 | Very high | 67 Ų | 67 | 38.4 Ų | 38.4 | 55% | 0.554 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -75.5 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | D107 Q108 L109 | D107-A111 PolarHBondContact O-N 3.09Å; Q108-A111 PolarHBondContact O-N 3.27Å; Q108-A111 VanDerWaalsContact O-N 3.09Å; L109-A111 VanDerWaalsContact C-N 3.29Å; L109-A111 PolarHBondContact O-N 3.34Å |
| 112 | Y | 92.6 | Very high | 95.5 | Very high | 91 Ų | 91 | 36.6 Ų | 36.6 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -117.7 | -17.2 | -161.4 | -62.6 | -46 | 0 | 0 | 0 | 115.6 | F65 T67 R82 Q108 L109 | F65-Y112 HydrophobicContact CD1-CD2 4.46Å; T67-Y112 HydrophobicContact CG2-CD1 4.25Å; T67-Y112 HydrophobicContact CG2-CE1 3.56Å; T67-Y112 HydrophobicContact CG2-CE2 4.21Å; R82-Y112 PolarHBondContact NH2-O 2.87Å; R82-Y112 VanDerWaalsContact NH2-O 3.09Å; Q108-Y112 HydrophobicContact CB-CD2 4.13Å; Q108-Y112 HydrophobicContact CB-CE2 4.43Å; Q108-Y112 VanDerWaalsContact O-CB 3.32Å; Q108-Y112 WeakPolarHBondContact O-CB 3.41Å; Q108-Y112 WeakPolarHBondContact O-CD2 3.19Å; Q108-Y112 PolarHBondContact O-N 3.12Å; L109-Y112 PolarHBondContact O-N 2.85Å |
| 113 | A | 91.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -130.7 | 37.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F65 Y87 L109 G115 S116 | F65-A113 HydrophobicContact CE1-CB 4.25Å; F65-A113 HydrophobicContact CZ-CB 4.24Å; Y87-A113 HydrophobicContact CE2-CB 3.7Å; L109-A113 HydrophobicContact CD2-CB 3.67Å; L109-A113 CarbonylContact O-C 3.59Å; L109-A113 WeakPolarHBondContact O-CA 3.16Å; L109-A113 PolarHBondContact O-N 3.25Å; A113-G115 PolarHBondContact O-N 2.71Å; A113-S116 WeakPolarHBondContact O-CB 3.35Å; A113-S116 PolarHBondContact O-N 2.78Å; A113-S116 VanDerWaalsContact O-N 3.16Å; A113-S116 PolarHBondContact O-OG 3.22Å |
| 114 | A | 85.7 | Confident | 95.5 | Very high | 71 Ų | 71 | 33.8 Ų | 33.8 | 59% | 0.587 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 129.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L109 | L109-A114 PolarHBondContact O-N 2.85Š|
| 115 | G | 88.6 | Confident | 95.4 | Very high | 60 Ų | 60 | 30.9 Ų | 30.9 | 62% | 0.619 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.2 | -14.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A113 | A113-G115 PolarHBondContact O-N 2.71Š|
| 116 | S | 93.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 22% | 0.217 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -74.8 | 144.6 | 169.1 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | A84 H85 A113 | A84-S116 PolarHBondContact O-OG 2.97Å; H85-S116 WeakPolarHBondContact O-CA 3.19Å; A113-S116 WeakPolarHBondContact O-CB 3.35Å; A113-S116 PolarHBondContact O-N 2.78Å; A113-S116 VanDerWaalsContact O-N 3.16Å; A113-S116 PolarHBondContact O-OG 3.22Å |
| 117 | A | 95.3 | Very high | 95 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 5% | 0.05 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 142.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | H85 A86 Y87 T221 I222 | H85-A117 PolarHBondContact O-N 3.37Å; A86-A117 CarbonylContact C-O 3.51Å; A86-A117 WeakPolarHBondContact CA-O 3.22Å; A86-A117 HydrophobicContact CB-CB 3.82Å; Y87-A117 PolarHBondContact N-O 3.03Å; A117-T221 HydrophobicContact CB-CG2 3.83Å; A117-I222 HydrophobicContact CB-CB 4.44Å; A117-I222 HydrophobicContact CB-CG1 3.58Å |
| 118 | V | 97 | Very high | 94.6 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 126.1 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | Y87 I89 L109 P199 | Y87-V118 WeakPolarHBondContact O-CA 3.41Å; I89-V118 HydrophobicContact CD1-CG1 3.56Å; I89-V118 HydrophobicContact CG1-CG1 4Å; L109-V118 HydrophobicContact CD1-CG1 4.43Å; L109-V118 HydrophobicContact CD1-CG2 4.15Å; V118-P199 WeakPolarHBondContact O-CD 3.32Å |
| 119 | L | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.1 | 172.4 | 169 | 65.1 | 0 | 0 | 0 | 108.7 | Y87 L88 I89 V121 P199 V201 V214 E217 L218 | Y87-L119 PolarHBondContact O-N 3.47Å; L88-L119 WeakPolarHBondContact CA-O 3.48Å; L88-L119 HydrophobicContact CD2-CB 4Å; L88-L119 HydrophobicContact CD2-CD2 3.72Å; L88-L119 HydrophobicContact CD2-CG 3.96Å; I89-L119 PolarHBondContact N-O 3.36Å; L119-V121 HydrophobicContact CG-CG2 4.28Å; L119-P199 HydrophobicContact CD1-CB 3.6Å; L119-V201 HydrophobicContact CD1-CB 4.47Å; L119-V201 HydrophobicContact CD1-CG2 3.94Å; L119-V201 HydrophobicContact CD2-CG2 4.46Å; L119-V214 HydrophobicContact CD2-CG1 4.22Å; L119-V214 WeakPolarHBondContact CD2-O 3.43Å; L119-E217 HydrophobicContact CD1-CG 4.27Å; L119-E217 HydrophobicContact CD2-CB 4.13Å; L119-E217 HydrophobicContact CD2-CG 4.36Å; L119-L218 HydrophobicContact CB-CD1 3.75Å; L119-L218 HydrophobicContact CD2-CB 4.06Å; L119-L218 HydrophobicContact CD2-CD1 4.37Å |
| 120 | V | 98.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.9 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | I89 F91 V192 W196 C198 P199 F200 V201 | I89-V120 HydrophobicContact CB-CG2 4.31Å; I89-V120 HydrophobicContact CD1-CG2 4.41Å; I89-V120 CarbonylContact O-C 3.59Å; I89-V120 WeakPolarHBondContact O-CA 3.46Å; F91-V120 HydrophobicContact CD1-CG1 3.94Å; F91-V120 HydrophobicContact CE1-CG1 3.65Å; V120-V192 HydrophobicContact CB-CG1 3.61Å; V120-V192 HydrophobicContact CG1-CG1 3.82Å; V120-V192 HydrophobicContact CG1-CG2 4.19Å; V120-V192 HydrophobicContact CG2-CG1 3.85Å; V120-W196 HydrophobicContact CG1-CZ3 4.26Å; V120-W196 HydrophobicContact CG2-CE3 4.28Å; V120-C198 HydrophobicContact CG2-CB 3.72Å; V120-P199 PolarHBondContact N-O 3.06Å; V120-F200 HydrophobicContact CB-CD2 4.41Å; V120-F200 HydrophobicContact CG1-CD2 4.16Å; V120-F200 WeakPolarHBondContact O-CA 3.24Å; V120-V201 PolarHBondContact O-N 3.48Å |
| 121 | V | 98.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119.4 | -174.7 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | I19 L88 I89 V90 F91 L119 V201 C203 V214 | I19-V121 HydrophobicContact CD1-CG1 4.11Å; L88-V121 HydrophobicContact CD2-CG2 3.9Å; I89-V121 PolarHBondContact O-N 3.37Å; V90-V121 WeakPolarHBondContact CA-O 3.37Å; V90-V121 HydrophobicContact CG2-CB 4.3Å; F91-V121 WeakPolarHBondContact CD1-O 3.49Å; F91-V121 PolarHBondContact N-O 2.91Å; L119-V121 HydrophobicContact CG-CG2 4.28Å; V121-V201 CarbonylContact C-O 3.48Å; V121-V201 VanDerWaalsContact CA-O 3.29Å; V121-V201 WeakPolarHBondContact CA-O 3.39Å; V121-C203 HydrophobicContact CG1-CB 4.25Å; V121-C203 WeakPolarHBondContact CG1-SG 3.16Å; V121-V214 HydrophobicContact CG1-CG2 3.91Å; V121-V214 HydrophobicContact CG2-CG1 3.76Å; V121-V214 HydrophobicContact CG2-CG2 4.07Å |
| 122 | A | 98.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 98.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | F91 V93 F200 V201 E202 C203 | F91-A122 HydrophobicContact CE1-CB 4.07Å; F91-A122 HydrophobicContact CE2-CB 3.91Å; F91-A122 HydrophobicContact CZ-CB 3.55Å; V93-A122 HydrophobicContact CG1-CB 3.65Å; A122-F200 HydrophobicContact CB-CE2 3.49Å; A122-F200 VanDerWaalsContact CB-CE2 3.49Å; A122-F200 HydrophobicContact CB-CZ 3.44Å; A122-F200 VanDerWaalsContact CB-CZ 3.44Å; A122-V201 PolarHBondContact N-O 3Å; A122-E202 HydrophobicContact CB-CG 4.11Å; A122-E202 CarbonylContact O-C 3.57Å; A122-E202 WeakPolarHBondContact O-CA 3.19Å; A122-C203 PolarHBondContact O-N 3.25Å |
| 123 | N | 98.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 166.1 | -178.7 | -172.3 | 36.2 | 0 | 0 | 0 | 112.4 | C14 I19 V90 F91 V93 T125 C203 A205 | C14-N123 PolarHBondContact O-ND2 3.47Å; I19-N123 HydrophobicContact CD1-CB 4.13Å; V90-N123 HydrophobicContact CG1-CB 3.86Å; F91-N123 WeakPolarHBondContact O-CB 3.46Å; F91-N123 PolarHBondContact O-N 3.23Å; V93-N123 WeakPolarHBondContact CG2-O 3.34Å; V93-N123 PolarHBondContact N-O 3.31Å; N123-T125 VanDerWaalsContact C-N 3.32Å; N123-C203 CarbonylContact C-O 3.53Å; N123-C203 WeakPolarHBondContact CA-O 3.21Å; N123-C203 PolarHBondContact OD1-SG 3.43Å; N123-C203 VanDerWaalsContact OD1-SG 3.4Å; N123-A205 PolarHBondContact OD1-N 3.09Å |
| 124 | K | 97.1 | Very high | 85.7 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | trans | 65.2 | 32 | 179.2 | -44.7 | -164.8 | -158.8 | 163.4 | 0 | 113.9 | G13 C14 D92 V93 D126 K127 C203 | G13-K124 WeakPolarHBondContact O-CE 3.46Å; G13-K124 PolarHBondContact O-NZ 2.84Å; C14-K124 WeakPolarHBondContact O-CE 3.41Å; D92-K124 HydrophobicContact CB-CD 4.33Å; D92-K124 WeakPolarHBondContact OD2-CD 3.45Å; D92-K124 VanDerWaalsContact OD2-CE 3.24Å; D92-K124 WeakPolarHBondContact OD2-CE 3.47Å; D92-K124 IonicContact OD2-NZ 2.8Å; D92-K124 PolarHBondContact OD2-NZ 3.46Å; V93-K124 WeakPolarHBondContact CG2-O 3.39Å; K124-D126 WeakPolarHBondContact CA-OD1 3.29Å; K124-D126 PolarHBondContact O-N 3.44Å; K124-D126 VanDerWaalsContact O-N 3.11Å; K124-K127 HydrophobicContact CB-CD 4.19Å; K124-K127 HydrophobicContact CB-CG 4.26Å; K124-K127 HydrophobicContact CD-CD 4.2Å; K124-K127 WeakPolarHBondContact O-CB 3.4Å; K124-K127 PolarHBondContact O-N 2.86Å; K124-C203 PolarHBondContact N-O 3.1Å | ||
| 125 | T | 95.7 | Very high | 84 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -55.5 | -26.6 | 173.5 | 48.5 | 0 | 0 | 0 | 0 | 113 | V93 N123 K127 L128 L131 E202 C203 W209 | V93-T125 HydrophobicContact CG1-CG2 4.11Å; N123-T125 VanDerWaalsContact C-N 3.32Å; T125-K127 PolarHBondContact O-N 3.07Å; T125-L128 HydrophobicContact CG2-CD1 4.43Å; T125-L128 VanDerWaalsContact O-CB 3.29Å; T125-L128 WeakPolarHBondContact O-CB 3.34Å; T125-L128 WeakPolarHBondContact O-CG 3.36Å; T125-L128 PolarHBondContact O-N 3.46Å; T125-L131 WeakPolarHBondContact O-CD1 3.47Å; T125-E202 HydrophobicContact CG2-CB 4.06Å; T125-C203 PolarHBondContact N-O 3.1Å; T125-C203 VanDerWaalsContact OG1-C 3.24Å; T125-C203 PolarHBondContact OG1-O 2.96Å; T125-W209 HydrophobicContact CG2-CZ3 4.35Å |
| 126 | D | 94.1 | Very high | 82.1 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -56 | -21.3 | 171.1 | 57.2 | -79.8 | 0 | 0 | 0 | 114.8 | K124 L128 Q132 S204 W207 | K124-D126 WeakPolarHBondContact CA-OD1 3.29Å; K124-D126 PolarHBondContact O-N 3.44Å; K124-D126 VanDerWaalsContact O-N 3.11Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-Q132 WeakPolarHBondContact O-CG 3.33Å; D126-Q132 PolarHBondContact O-NE2 3.41Å; D126-S204 WeakPolarHBondContact CB-OG 3.26Å; D126-S204 VanDerWaalsContact CG-OG 3.28Å; D126-S204 WeakPolarHBondContact OD1-CB 3.26Å; D126-S204 PolarHBondContact OD1-OG 3.44Å; D126-W207 HydrophobicContact CB-CD2 3.48Å; D126-W207 VanDerWaalsContact CB-CD2 3.48Å; D126-W207 HydrophobicContact CB-CE3 3.79Å; D126-W207 HydrophobicContact CB-CG 4.06Å; D126-W207 HydrophobicContact CB-CH2 3.9Å; D126-W207 HydrophobicContact CB-CZ2 3.56Å; D126-W207 HydrophobicContact CB-CZ3 3.99Å |
| 127 | K | 93.3 | Very high | 79.8 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -82.8 | -9.2 | 175.8 | -64.1 | -170.3 | 173 | -166.8 | 0 | 113.7 | T94 K124 T125 Q132 | T94-K127 HydrophobicContact CG2-CB 3.52Å; T94-K127 HydrophobicContact CG2-CD 4.03Å; T94-K127 HydrophobicContact CG2-CG 4.45Å; K124-K127 HydrophobicContact CB-CD 4.19Å; K124-K127 HydrophobicContact CB-CG 4.26Å; K124-K127 HydrophobicContact CD-CD 4.2Å; K124-K127 WeakPolarHBondContact O-CB 3.4Å; K124-K127 PolarHBondContact O-N 2.86Å; T125-K127 PolarHBondContact O-N 3.07Å; K127-Q132 PolarHBondContact O-NE2 2.91Å |
| 128 | L | 88.5 | Confident | 77.5 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -69.2 | 132.9 | 175.4 | -62.5 | 176.1 | 0 | 0 | 0 | 109.5 | V93 T125 D126 W130 L131 F184 R185 | V93-L128 HydrophobicContact CB-CD2 4.37Å; V93-L128 HydrophobicContact CG2-CD1 4.44Å; V93-L128 HydrophobicContact CG2-CD2 3.91Å; V93-L128 HydrophobicContact CG2-CG 3.99Å; T125-L128 HydrophobicContact CG2-CD1 4.43Å; T125-L128 VanDerWaalsContact O-CB 3.29Å; T125-L128 WeakPolarHBondContact O-CB 3.34Å; T125-L128 WeakPolarHBondContact O-CG 3.36Å; T125-L128 PolarHBondContact O-N 3.46Å; D126-L128 VanDerWaalsContact C-N 3.33Å; L128-W130 VanDerWaalsContact C-N 3.34Å; L128-W130 PolarHBondContact O-N 3.28Å; L128-W130 VanDerWaalsContact O-N 3.16Å; L128-L131 PolarHBondContact O-N 3.34Å; L128-L131 VanDerWaalsContact O-N 3.12Å; L128-F184 HydrophobicContact CD2-CE1 4.34Å; L128-R185 HydrophobicContact CD1-CG 4.29Å |
| 129 | P | 77.6 | Confident | 74.7 | Confident | 74 Ų | 74 | 62.7 Ų | 62.7 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52.8 | -41 | -169.4 | -30.4 | 35 | 0 | 0 | 0 | 115.6 | L131 Q132 T133 | P129-L131 VanDerWaalsContact C-N 3.33Å; P129-L131 PolarHBondContact O-N 3.05Å; P129-Q132 WeakPolarHBondContact O-CB 3.47Å; P129-Q132 PolarHBondContact O-N 3.4Å; P129-T133 PolarHBondContact O-N 3.32Å; P129-T133 VanDerWaalsContact O-N 3.08Å; P129-T133 PolarHBondContact O-OG1 3.26Å |
| 130 | W | 70 | Confident | 71.9 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 31% | 0.307 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | -177.7 | 120.4 | -88.3 | 0 | 0 | 0 | 113.1 | L128 Q132 T133 F134 T178 | L128-W130 VanDerWaalsContact C-N 3.34Å; L128-W130 PolarHBondContact O-N 3.28Å; L128-W130 VanDerWaalsContact O-N 3.16Å; W130-Q132 PolarHBondContact O-N 2.83Å; W130-T133 PolarHBondContact O-N 3.33Å; W130-T133 VanDerWaalsContact O-N 3.15Å; W130-F134 AromaticContact CE3-CD2 3.83Å; W130-F134 HydrophobicContact CE3-CD2 3.83Å; W130-F134 HydrophobicContact CE3-CE2 4.4Å; W130-F134 AromaticContact CH2-CD2 3.23Å; W130-F134 HydrophobicContact CH2-CD2 3.23Å; W130-F134 AromaticContact CH2-CE2 3.22Å; W130-F134 HydrophobicContact CH2-CE2 3.22Å; W130-F134 HydrophobicContact CH2-CG 4.09Å; W130-F134 HydrophobicContact CH2-CZ 4.08Å; W130-F134 HydrophobicContact CZ2-CD2 4.1Å; W130-F134 HydrophobicContact CZ2-CE2 4.34Å; W130-F134 AromaticContact CZ3-CD2 3.08Å; W130-F134 HydrophobicContact CZ3-CD2 3.08Å; W130-F134 AromaticContact CZ3-CE2 3.28Å; W130-F134 HydrophobicContact CZ3-CE2 3.28Å; W130-F134 HydrophobicContact CZ3-CG 4.18Å; W130-F134 HydrophobicContact CZ3-CZ 4.49Å; W130-F134 PolarHBondContact O-N 2.88Å; W130-T178 HydrophobicContact CB-CG2 4.21Å; W130-T178 HydrophobicContact CE3-CG2 4.04Å |
| 131 | L | 58.7 | Low | 68.7 | Low | 42 Ų | 42 | 75.8 Ų | 75.8 | 22% | 0.22 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67 | -30.4 | -179.9 | -88.8 | 175.9 | 0 | 0 | 0 | 110.2 | T125 L128 P129 W207 | T125-L131 WeakPolarHBondContact O-CD1 3.47Å; L128-L131 PolarHBondContact O-N 3.34Å; L128-L131 VanDerWaalsContact O-N 3.12Å; P129-L131 VanDerWaalsContact C-N 3.33Å; P129-L131 PolarHBondContact O-N 3.05Å; L131-W207 HydrophobicContact CB-CH2 3.59Å; L131-W207 HydrophobicContact CB-CZ3 3.63Å; L131-W207 HydrophobicContact CD1-CZ3 3.99Å; L131-W207 HydrophobicContact CD2-CH2 4.43Å; L131-W207 HydrophobicContact CD2-CZ3 3.7Å; L131-W207 HydrophobicContact CG-CH2 4.41Å; L131-W207 HydrophobicContact CG-CZ3 3.93Å; L131-W207 WeakPolarHBondContact O-CH2 3.32Å |
| 132 | Q | 59.4 | Low | 65.5 | Low | 100 Ų | 100 | 81 Ų | 81 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.2 | -37.6 | 172.8 | -58.4 | 180 | 10.1 | 0 | 0 | 112 | D126 K127 P129 W130 F134 K135 R136 | D126-Q132 WeakPolarHBondContact O-CG 3.33Å; D126-Q132 PolarHBondContact O-NE2 3.41Å; K127-Q132 PolarHBondContact O-NE2 2.91Å; P129-Q132 WeakPolarHBondContact O-CB 3.47Å; P129-Q132 PolarHBondContact O-N 3.4Å; W130-Q132 PolarHBondContact O-N 2.83Å; Q132-F134 VanDerWaalsContact C-N 3.34Å; Q132-K135 WeakPolarHBondContact O-CB 3.42Å; Q132-K135 PolarHBondContact O-N 2.94Å; Q132-R136 PolarHBondContact O-N 2.93Å |
| 133 | T | 56.3 | Low | 62.2 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 173.7 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | P129 W130 K135 R136 G137 | P129-T133 PolarHBondContact O-N 3.32Å; P129-T133 VanDerWaalsContact O-N 3.08Å; P129-T133 PolarHBondContact O-OG1 3.26Å; W130-T133 PolarHBondContact O-N 3.33Å; W130-T133 VanDerWaalsContact O-N 3.15Å; T133-K135 VanDerWaalsContact C-N 3.27Å; T133-K135 PolarHBondContact O-N 2.88Å; T133-R136 CarbonylContact O-C 3.59Å; T133-R136 WeakPolarHBondContact O-CA 3.45Å; T133-R136 PolarHBondContact O-N 2.91Å; T133-G137 PolarHBondContact O-N 3.42Å |
| 134 | F | 56.5 | Low | 59.2 | Low | 125 Ų | 125 | 94.4 Ų | 94.4 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | 175.3 | -135.4 | -101.3 | 0 | 0 | 0 | 112.5 | W130 Q132 R136 | W130-F134 AromaticContact CE3-CD2 3.83Å; W130-F134 HydrophobicContact CE3-CD2 3.83Å; W130-F134 HydrophobicContact CE3-CE2 4.4Å; W130-F134 AromaticContact CH2-CD2 3.23Å; W130-F134 HydrophobicContact CH2-CD2 3.23Å; W130-F134 AromaticContact CH2-CE2 3.22Å; W130-F134 HydrophobicContact CH2-CE2 3.22Å; W130-F134 HydrophobicContact CH2-CG 4.09Å; W130-F134 HydrophobicContact CH2-CZ 4.08Å; W130-F134 HydrophobicContact CZ2-CD2 4.1Å; W130-F134 HydrophobicContact CZ2-CE2 4.34Å; W130-F134 AromaticContact CZ3-CD2 3.08Å; W130-F134 HydrophobicContact CZ3-CD2 3.08Å; W130-F134 AromaticContact CZ3-CE2 3.28Å; W130-F134 HydrophobicContact CZ3-CE2 3.28Å; W130-F134 HydrophobicContact CZ3-CG 4.18Å; W130-F134 HydrophobicContact CZ3-CZ 4.49Å; W130-F134 PolarHBondContact O-N 2.88Å; Q132-F134 VanDerWaalsContact C-N 3.34Å; F134-R136 VanDerWaalsContact C-N 3.33Å |
| 135 | K | 50.1 | Low | 55.9 | Low | 146 Ų | 146 | 98.8 Ų | 98.8 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -32.7 | 170.6 | -98.5 | -165.7 | 174.7 | -157.7 | 0 | 113.3 | Q132 T133 W207 | Q132-K135 WeakPolarHBondContact O-CB 3.42Å; Q132-K135 PolarHBondContact O-N 2.94Å; T133-K135 VanDerWaalsContact C-N 3.27Å; T133-K135 PolarHBondContact O-N 2.88Å; K135-W207 HydrophobicContact CD-CZ2 4.19Å |
| 136 | R | 48.1 | Very low | 52.7 | Low | 204 Ų | 204 | 105.3 Ų | 105.3 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -85.7 | -30.3 | 179.4 | -66.9 | -179.2 | 65.7 | 120.9 | 1.3 | 113 | Q132 T133 F134 I138 S139 | Q132-R136 PolarHBondContact O-N 2.93Å; T133-R136 CarbonylContact O-C 3.59Å; T133-R136 WeakPolarHBondContact O-CA 3.45Å; T133-R136 PolarHBondContact O-N 2.91Å; F134-R136 VanDerWaalsContact C-N 3.33Å; R136-I138 PolarHBondContact O-N 3.01Å; R136-S139 PolarHBondContact O-N 3.18Å |
| 137 | G | 44.3 | Very low | 49.5 | Very low | 43 Ų | 43 | 108 Ų | 108 | 44% | 0.443 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -74.8 | -18.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | T133 S139 Q140 | T133-G137 PolarHBondContact O-N 3.42Å; G137-S139 PolarHBondContact O-N 3.45Å; G137-S139 VanDerWaalsContact O-N 3.14Å; G137-Q140 PolarHBondContact O-N 3.01Å |
| 138 | I | 46.7 | Very low | 46.3 | Very low | 145 Ų | 145 | 109.8 Ų | 109.8 | 74% | 0.744 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -14.4 | 169.3 | -64.7 | 172.4 | 0 | 0 | 0 | 111.4 | R136 | R136-I138 PolarHBondContact O-N 3.01Š|
| 139 | S | 40.1 | Very low | 43.3 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -0.8 | 176.2 | -70.8 | 0 | 0 | 0 | 0 | 116.5 | R136 G137 | R136-S139 PolarHBondContact O-N 3.18Å; G137-S139 PolarHBondContact O-N 3.45Å; G137-S139 VanDerWaalsContact O-N 3.14Å |
| 140 | Q | 39.4 | Very low | 41.1 | Very low | 160 Ų | 160 | 118.2 Ų | 118.2 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | trans | -145.8 | 87.8 | 177.4 | -79.2 | -174.2 | -18 | 0 | 0 | 113 | G137 C142 | G137-Q140 PolarHBondContact O-N 3.01Å; Q140-C142 PolarHBondContact O-N 3.18Å | ||
| 141 | S | 30.5 | Very low | 39 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | trans | -75.1 | 88.7 | 155.8 | 51.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 142 | C | 31.7 | Very low | 37.5 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -105.6 | 105.4 | 163.1 | -68 | 0 | 0 | 0 | 0 | 108.2 | Q140 | Q140-C142 PolarHBondContact O-N 3.18Š| ||
| 143 | L | 29 | Very low | 36 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | trans | -67.7 | 125.6 | 170.5 | -62 | 116.4 | 0 | 0 | 0 | 109.1 | ||||
| 144 | S | 35.6 | Very low | 34.8 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -151 | 116.7 | 145.5 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 145 | T | 27.8 | Very low | 33.6 | Very low | 129 Ų | 129 | 125 Ų | 125 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -64.7 | 171.1 | 171.8 | -48.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 146 | T | 29.2 | Very low | 32.9 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 94.1 | 112 | 174.2 | -25.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 147 | G | 27.9 | Very low | 32.1 | Very low | 69 Ų | 69 | 119.9 Ų | 119.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | cis | 114.4 | 99.3 | 25.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 148 | C | 25.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 123 Ų | 123 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | trans | -165.4 | 144.7 | 156.5 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 149 | N | 26 | Very low | 31.2 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -97.4 | 166.8 | -171.3 | -70 | -31.1 | 0 | 0 | 0 | 112.1 | ||||
| 150 | S | 29.9 | Very low | 30.8 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 109.5 | 107.5 | 142.7 | -58.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 151 | T | 25.6 | Very low | 30.2 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 72.4 | 105 | 126.1 | -24.6 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 152 | S | 28.1 | Very low | 30 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 31.8 | 123.1 | 134 | -44.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 153 | T | 27.1 | Very low | 29.7 | Very low | 125 Ų | 125 | 130 Ų | 130 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | -167.3 | 131.8 | 105 | -64.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 154 | A | 31.8 | Very low | 29.6 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -75.8 | 125.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 155 | T | 30.8 | Very low | 29 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -133 | 116.9 | 156.1 | 50.5 | 0 | 0 | 0 | 0 | 108.9 | G157 | T155-G157 PolarHBondContact O-N 3.45Š| ||
| 156 | N | 35.5 | Very low | 28.8 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | trans | -70.1 | 103.1 | 173.1 | -68.2 | -49.8 | 0 | 0 | 0 | 107.8 | ||||
| 157 | G | 31.3 | Very low | 28.7 | Very low | 66 Ų | 66 | 124.4 Ų | 124.4 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | -149.6 | 101.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T155 F159 | T155-G157 PolarHBondContact O-N 3.45Å; G157-F159 PolarHBondContact O-N 3Å | ||
| 158 | S | 32.9 | Very low | 28.6 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -2.8 | 110 | 156.2 | 175.6 | 0 | 0 | 0 | 0 | 115.8 | F160 | S158-F160 VanDerWaalsContact C-N 3.27Å; S158-F160 PolarHBondContact O-N 3.04Å | ||
| 159 | F | 38.8 | Very low | 28.9 | Very low | 210 Ų | 210 | 124.3 Ų | 124.3 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -74.7 | 80.2 | 167.8 | -174.6 | -100.7 | 0 | 0 | 0 | 109.7 | G157 | G157-F159 PolarHBondContact O-N 3Š|
| 160 | F | 33.6 | Very low | 29.2 | Very low | 147 Ų | 147 | 122.1 Ų | 122.1 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | trans | -162.8 | 124.2 | 165 | -136.6 | -102.9 | 0 | 0 | 0 | 109.6 | S158 | S158-F160 VanDerWaalsContact C-N 3.27Å; S158-F160 PolarHBondContact O-N 3.04Å | ||
| 161 | L | 25 | Very low | 29.8 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 74.6 | 137.1 | 176.1 | -65.9 | 155.6 | 0 | 0 | 0 | 114.3 | ||||
| 162 | Q | 26.2 | Very low | 30.3 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | -177 | 150.4 | 9.6 | 167.6 | 174.2 | 11.6 | 0 | 0 | 106.6 | ||||
| 163 | S | 25.5 | Very low | 31 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | 164.7 | 133.2 | 127.9 | -174.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 164 | V | 27.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -54.3 | 153.6 | 163.7 | -69.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 165 | G | 24.4 | Very low | 32.8 | Very low | 86 Ų | 86 | 128 Ų | 128 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | 99.8 | 117.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 166 | G | 23.6 | Very low | 34.3 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 135.4 | 98.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G168 | G166-G168 PolarHBondContact O-N 2.97Š| ||
| 167 | S | 25.3 | Very low | 36.2 | Very low | 140 Ų | 140 | 119 Ų | 119 | 98% | 0.979 | 76% | 0.761 | S | S | * | * | trans | -64.2 | 108.4 | 162.7 | -50.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 168 | G | 27 | Very low | 38.5 | Very low | 65 Ų | 65 | 118.3 Ų | 118.3 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | trans | -165.1 | 99.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G166 S170 | G166-G168 PolarHBondContact O-N 2.97Å; G168-S170 PolarHBondContact O-N 2.82Å | ||
| 169 | S | 30.5 | Very low | 40.9 | Very low | 135 Ų | 135 | 118.5 Ų | 118.5 | 94% | 0.944 | 73% | 0.733 | S | S | * | * | trans | -67.4 | 93.1 | 170.2 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 170 | S | 33.3 | Very low | 43.1 | Very low | 109 Ų | 109 | 111.4 Ų | 111.4 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -129.9 | 109.1 | 170.5 | -73.4 | 0 | 0 | 0 | 0 | 109.9 | G168 G172 | G168-S170 PolarHBondContact O-N 2.82Å; S170-G172 PolarHBondContact O-N 2.76Å | ||
| 171 | A | 41.8 | Very low | 45.4 | Very low | 117 Ų | 117 | 107 Ų | 107 | 97% | 0.967 | 70% | 0.695 | S | S | * | * | trans | -58.5 | 98.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 172 | G | 36.6 | Very low | 48.4 | Very low | 72 Ų | 72 | 103.1 Ų | 103.1 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | trans | 176.7 | 59.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S170 | S170-G172 PolarHBondContact O-N 2.76Š| ||
| 173 | S | 43.6 | Very low | 51.5 | Low | 115 Ų | 115 | 100.5 Ų | 100.5 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -174.8 | 63.4 | 152.9 | -158.6 | 0 | 0 | 0 | 0 | 111.1 | R175 | S173-R175 VanDerWaalsContact C-N 3.35Š| ||
| 174 | H | 45.1 | Very low | 54.6 | Low | 163 Ų | 163 | 98.6 Ų | 98.6 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | trans | -101.1 | 50.6 | 169.3 | -125.2 | -82.5 | 0 | 0 | 0 | 109.1 | S176 | H174-S176 VanDerWaalsContact C-N 3.29Å; H174-S176 WeakPolarHBondContact O-CA 3.5Å; H174-S176 PolarHBondContact O-N 3.23Å | ||
| 175 | R | 51.4 | Low | 57.7 | Low | 210 Ų | 210 | 95.5 Ų | 95.5 | 79% | 0.792 | 62% | 0.615 | S | S | * | * | trans | -50.2 | 109.7 | 151 | -93.6 | -172.7 | 177.7 | -176.9 | 1.3 | 104.2 | S173 T177 | S173-R175 VanDerWaalsContact C-N 3.35Å; R175-T177 PolarHBondContact O-N 3.16Å | ||
| 176 | S | 62.1 | Low | 61 | Low | 25 Ų | 25 | 97.9 Ų | 97.9 | 18% | 0.175 | 60% | 0.601 | C | S | . | * | trans | -56.9 | 134.5 | -155 | 66.2 | 0 | 0 | 0 | 0 | 109.2 | H174 T178 E179 A180 | H174-S176 VanDerWaalsContact C-N 3.29Å; H174-S176 WeakPolarHBondContact O-CA 3.5Å; H174-S176 PolarHBondContact O-N 3.23Å; S176-T178 WeakPolarHBondContact CB-OG1 3.49Å; S176-T178 PolarHBondContact O-N 3.12Å; S176-T178 PolarHBondContact OG-OG1 3.46Å; S176-E179 WeakPolarHBondContact O-CB 3.24Å; S176-E179 PolarHBondContact O-N 3.4Å; S176-E179 WeakPolarHBondContact OG-CG 3.48Å; S176-E179 PolarHBondContact OG-N 3.08Å; S176-E179 PolarHBondContact OG-OE1 2.92Å; S176-A180 PolarHBondContact O-N 3.38Å | ||
| 177 | T | 74.7 | Confident | 64.5 | Low | 93 Ų | 93 | 99.3 Ų | 99.3 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -53.6 | -24.7 | 177.2 | 46.4 | 0 | 0 | 0 | 0 | 111.6 | R175 M181 | R175-T177 PolarHBondContact O-N 3.16Å; T177-M181 VanDerWaalsContact O-CG 3.22Å; T177-M181 WeakPolarHBondContact O-CG 3.36Å; T177-M181 PolarHBondContact O-N 3.33Å |
| 178 | T | 79.8 | Confident | 67.9 | Low | 51 Ų | 51 | 93.3 Ų | 93.3 | 31% | 0.313 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 169 | 40.7 | 0 | 0 | 0 | 0 | 113.7 | W130 S176 A180 M181 D182 | W130-T178 HydrophobicContact CB-CG2 4.21Å; W130-T178 HydrophobicContact CE3-CG2 4.04Å; S176-T178 WeakPolarHBondContact CB-OG1 3.49Å; S176-T178 PolarHBondContact O-N 3.12Å; S176-T178 PolarHBondContact OG-OG1 3.46Å; T178-A180 PolarHBondContact O-N 3.43Å; T178-M181 PolarHBondContact O-N 2.98Å; T178-D182 PolarHBondContact O-N 2.81Å |
| 179 | E | 83.8 | Confident | 71.2 | Confident | 114 Ų | 114 | 91.3 Ų | 91.3 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 179 | -81 | 157.5 | -127.7 | 0 | 0 | 112.3 | S176 M181 D182 Q183 | S176-E179 WeakPolarHBondContact O-CB 3.24Å; S176-E179 PolarHBondContact O-N 3.4Å; S176-E179 WeakPolarHBondContact OG-CG 3.48Å; S176-E179 PolarHBondContact OG-N 3.08Å; S176-E179 PolarHBondContact OG-OE1 2.92Å; E179-M181 VanDerWaalsContact C-N 3.27Å; E179-M181 PolarHBondContact O-N 3.18Å; E179-D182 PolarHBondContact O-N 2.91Å; E179-Q183 WeakPolarHBondContact O-CB 3.47Å; E179-Q183 PolarHBondContact O-N 3.06Å |
| 180 | A | 83.7 | Confident | 74.4 | Confident | 61 Ų | 61 | 86.9 Ų | 86.9 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | S176 T178 F184 | S176-A180 PolarHBondContact O-N 3.38Å; T178-A180 PolarHBondContact O-N 3.43Å; A180-F184 PolarHBondContact O-N 3.11Å |
| 181 | M | 82.3 | Confident | 77.5 | Confident | 54 Ų | 54 | 83 Ų | 83 | 27% | 0.266 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -75.5 | -38 | 178.1 | -69.4 | -63 | 100 | 0 | 0 | 112.9 | T177 T178 E179 Q183 F184 R185 | T177-M181 VanDerWaalsContact O-CG 3.22Å; T177-M181 WeakPolarHBondContact O-CG 3.36Å; T177-M181 PolarHBondContact O-N 3.33Å; T178-M181 PolarHBondContact O-N 2.98Å; E179-M181 VanDerWaalsContact C-N 3.27Å; E179-M181 PolarHBondContact O-N 3.18Å; M181-Q183 VanDerWaalsContact C-N 3.26Å; M181-Q183 PolarHBondContact O-N 2.91Å; M181-F184 WeakPolarHBondContact O-CB 3.43Å; M181-F184 PolarHBondContact O-N 2.85Å; M181-R185 WeakPolarHBondContact O-CG 3.47Å; M181-R185 PolarHBondContact O-N 3.19Å |
| 182 | D | 88.6 | Confident | 80.2 | Confident | 66 Ų | 66 | 77.4 Ų | 77.4 | 35% | 0.353 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 172.5 | -81.7 | -19.6 | 0 | 0 | 0 | 111.2 | T178 E179 R185 K186 | T178-D182 PolarHBondContact O-N 2.81Å; E179-D182 PolarHBondContact O-N 2.91Å; D182-R185 PolarHBondContact O-N 2.96Å; D182-R185 IonicContact OD1-NH1 2.73Å; D182-K186 WeakPolarHBondContact O-CB 3.41Å; D182-K186 WeakPolarHBondContact O-CG 3.25Å; D182-K186 PolarHBondContact O-N 2.8Å |
| 183 | Q | 90.3 | Very high | 83.2 | Confident | 116 Ų | 116 | 79.2 Ų | 79.2 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 172.9 | -173.3 | 60.6 | 16.7 | 0 | 0 | 111.5 | E179 M181 R185 K186 E187 | E179-Q183 WeakPolarHBondContact O-CB 3.47Å; E179-Q183 PolarHBondContact O-N 3.06Å; M181-Q183 VanDerWaalsContact C-N 3.26Å; M181-Q183 PolarHBondContact O-N 2.91Å; Q183-R185 PolarHBondContact O-N 2.83Å; Q183-K186 PolarHBondContact O-N 2.92Å; Q183-E187 WeakPolarHBondContact O-CB 3.27Å; Q183-E187 PolarHBondContact O-N 2.72Å |
| 184 | F | 91.2 | Very high | 85.7 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 175.6 | 174.3 | -112 | 0 | 0 | 0 | 112.6 | L128 A180 M181 E187 L188 | L128-F184 HydrophobicContact CD2-CE1 4.34Å; A180-F184 PolarHBondContact O-N 3.11Å; M181-F184 WeakPolarHBondContact O-CB 3.43Å; M181-F184 PolarHBondContact O-N 2.85Å; F184-E187 PolarHBondContact O-N 2.61Å; F184-L188 HydrophobicContact CD1-CD1 4.19Å; F184-L188 HydrophobicContact CD2-CG 4.46Å; F184-L188 HydrophobicContact CE1-CD1 3.57Å; F184-L188 HydrophobicContact CE1-CG 4.33Å; F184-L188 HydrophobicContact CE2-CD1 4.12Å; F184-L188 HydrophobicContact CE2-CD2 4.26Å; F184-L188 HydrophobicContact CE2-CG 4.06Å; F184-L188 HydrophobicContact CZ-CD1 3.54Å; F184-L188 HydrophobicContact CZ-CD2 4.3Å; F184-L188 HydrophobicContact CZ-CG 4Å; F184-L188 WeakPolarHBondContact O-CG 3.39Å; F184-L188 PolarHBondContact O-N 2.77Å |
| 185 | R | 92.8 | Very high | 88.2 | Confident | 70 Ų | 70 | 79.8 Ų | 79.8 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.5 | -69.2 | 172.9 | 69.4 | -152.4 | 4.5 | 111.9 | L128 M181 D182 Q183 E187 L188 S189 E202 | L128-R185 HydrophobicContact CD1-CG 4.29Å; M181-R185 WeakPolarHBondContact O-CG 3.47Å; M181-R185 PolarHBondContact O-N 3.19Å; D182-R185 PolarHBondContact O-N 2.96Å; D182-R185 IonicContact OD1-NH1 2.73Å; Q183-R185 PolarHBondContact O-N 2.83Å; R185-E187 VanDerWaalsContact C-N 3.31Å; R185-E187 PolarHBondContact O-N 3.1Å; R185-L188 PolarHBondContact O-N 2.95Å; R185-S189 WeakPolarHBondContact O-CB 3.49Å; R185-S189 PolarHBondContact O-N 3.29Å; R185-E202 IonicContact CZ-OE2 2.69Å; R185-E202 IonicContact NE-OE1 3.2Å; R185-E202 IonicContact NE-OE2 2.69Å; R185-E202 PolarHBondContact NE-OE2 3.44Å; R185-E202 IonicContact NH2-OE1 3.76Å; R185-E202 IonicContact NH2-OE2 3.34Å; R185-E202 PolarHBondContact NH2-OE2 2.94Å |
| 186 | K | 94.3 | Very high | 90.4 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.9 | -40.8 | 174.9 | -74.1 | 169.2 | -174.5 | 172.2 | 0 | 111.3 | D182 Q183 S190 | D182-K186 WeakPolarHBondContact O-CB 3.41Å; D182-K186 WeakPolarHBondContact O-CG 3.25Å; D182-K186 PolarHBondContact O-N 2.8Å; Q183-K186 PolarHBondContact O-N 2.92Å; K186-S190 WeakPolarHBondContact O-CB 3.18Å; K186-S190 PolarHBondContact O-N 3.37Å |
| 187 | E | 95.8 | Very high | 92 | Very high | 107 Ų | 107 | 77.2 Ų | 77.2 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -50.4 | 177.2 | -174.4 | 177.9 | -177 | 0 | 0 | 111.5 | Q183 F184 R185 S189 S190 I191 | Q183-E187 WeakPolarHBondContact O-CB 3.27Å; Q183-E187 PolarHBondContact O-N 2.72Å; F184-E187 PolarHBondContact O-N 2.61Å; R185-E187 VanDerWaalsContact C-N 3.31Å; R185-E187 PolarHBondContact O-N 3.1Å; E187-S189 VanDerWaalsContact C-N 3.35Å; E187-S189 PolarHBondContact O-N 3.31Å; E187-S190 WeakPolarHBondContact O-CB 3.19Å; E187-S190 PolarHBondContact O-N 2.73Å; E187-S190 VanDerWaalsContact O-N 3.07Å; E187-I191 HydrophobicContact CG-CD1 3.92Å; E187-I191 HydrophobicContact CG-CG1 4.49Å; E187-I191 WeakPolarHBondContact O-CG1 3.25Å; E187-I191 PolarHBondContact O-N 3.15Å |
| 188 | L | 96.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 73.4 Ų | 73.4 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55.5 | -49.8 | 174.7 | -73.2 | -179.7 | 0 | 0 | 0 | 111.4 | F91 F99 F184 R185 S190 I191 V192 F200 | F91-L188 HydrophobicContact CE2-CD1 4.3Å; F91-L188 HydrophobicContact CZ-CD1 4.49Å; F99-L188 HydrophobicContact CD2-CD2 4.07Å; F99-L188 HydrophobicContact CE1-CD2 4.47Å; F99-L188 HydrophobicContact CE2-CD2 3.74Å; F99-L188 HydrophobicContact CZ-CD2 3.95Å; F184-L188 HydrophobicContact CD1-CD1 4.19Å; F184-L188 HydrophobicContact CD2-CG 4.46Å; F184-L188 HydrophobicContact CE1-CD1 3.57Å; F184-L188 HydrophobicContact CE1-CG 4.33Å; F184-L188 HydrophobicContact CE2-CD1 4.12Å; F184-L188 HydrophobicContact CE2-CD2 4.26Å; F184-L188 HydrophobicContact CE2-CG 4.06Å; F184-L188 HydrophobicContact CZ-CD1 3.54Å; F184-L188 HydrophobicContact CZ-CD2 4.3Å; F184-L188 HydrophobicContact CZ-CG 4Å; F184-L188 WeakPolarHBondContact O-CG 3.39Å; F184-L188 PolarHBondContact O-N 2.77Å; R185-L188 PolarHBondContact O-N 2.95Å; L188-S190 VanDerWaalsContact C-N 3.26Å; L188-S190 PolarHBondContact O-N 2.86Å; L188-I191 PolarHBondContact O-N 2.93Å; L188-V192 WeakPolarHBondContact O-CG2 3.42Å; L188-V192 PolarHBondContact O-N 2.66Å; L188-F200 HydrophobicContact CB-CZ 4.43Å |
| 189 | S | 97.5 | Very high | 93.9 | Very high | 23 Ų | 23 | 73 Ų | 73 | 16% | 0.161 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | R185 E187 K193 | R185-S189 WeakPolarHBondContact O-CB 3.49Å; R185-S189 PolarHBondContact O-N 3.29Å; E187-S189 VanDerWaalsContact C-N 3.35Å; E187-S189 PolarHBondContact O-N 3.31Å; S189-K193 WeakPolarHBondContact O-CB 3.39Å; S189-K193 VanDerWaalsContact O-CG 3.27Å; S189-K193 WeakPolarHBondContact O-CG 3.35Å; S189-K193 PolarHBondContact O-N 3.14Å; S189-K193 WeakPolarHBondContact OG-CD 3.34Å; S189-K193 VanDerWaalsContact OG-CE 3.28Å; S189-K193 WeakPolarHBondContact OG-CE 3.19Å; S189-K193 PolarHBondContact OG-NZ 2.86Å |
| 190 | S | 98 | Very high | 94.6 | Very high | 43 Ų | 43 | 68.5 Ų | 68.5 | 30% | 0.301 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.7 | -46.8 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 111 | K186 E187 L188 K194 | K186-S190 WeakPolarHBondContact O-CB 3.18Å; K186-S190 PolarHBondContact O-N 3.37Å; E187-S190 WeakPolarHBondContact O-CB 3.19Å; E187-S190 PolarHBondContact O-N 2.73Å; E187-S190 VanDerWaalsContact O-N 3.07Å; L188-S190 VanDerWaalsContact C-N 3.26Å; L188-S190 PolarHBondContact O-N 2.86Å; S190-K194 WeakPolarHBondContact O-CA 3.48Å; S190-K194 WeakPolarHBondContact O-CB 3.43Å; S190-K194 WeakPolarHBondContact O-CG 3.32Å; S190-K194 PolarHBondContact O-N 3.05Å |
| 191 | I | 98.4 | Very high | 95.3 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 14% | 0.138 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -59.3 | -52.7 | 178.1 | -67.4 | 165.7 | 0 | 0 | 0 | 110.1 | F99 E187 L188 Q195 W196 | F99-I191 HydrophobicContact CE1-CG2 4.46Å; F99-I191 HydrophobicContact CZ-CB 4.41Å; F99-I191 HydrophobicContact CZ-CD1 4.47Å; F99-I191 HydrophobicContact CZ-CG2 3.85Å; E187-I191 HydrophobicContact CG-CD1 3.92Å; E187-I191 HydrophobicContact CG-CG1 4.49Å; E187-I191 WeakPolarHBondContact O-CG1 3.25Å; E187-I191 PolarHBondContact O-N 3.15Å; L188-I191 PolarHBondContact O-N 2.93Å; I191-Q195 WeakPolarHBondContact O-CA 3.5Å; I191-Q195 WeakPolarHBondContact O-CB 3.49Å; I191-Q195 PolarHBondContact O-N 2.69Å; I191-W196 HydrophobicContact CG2-CZ2 4.11Å; I191-W196 PolarHBondContact O-N 3.3Å |
| 192 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.307 | C | S | . | . | I | π-helix | trans | -67.1 | -48.2 | -175.5 | 179 | 0 | 0 | 0 | 0 | 111.7 | F99 V120 L188 W196 K197 C198 F200 | F99-V192 HydrophobicContact CE2-CG2 4.04Å; V120-V192 HydrophobicContact CB-CG1 3.61Å; V120-V192 HydrophobicContact CG1-CG1 3.82Å; V120-V192 HydrophobicContact CG1-CG2 4.19Å; V120-V192 HydrophobicContact CG2-CG1 3.85Å; L188-V192 WeakPolarHBondContact O-CG2 3.42Å; L188-V192 PolarHBondContact O-N 2.66Å; V192-W196 HydrophobicContact CB-CE3 4.36Å; V192-W196 HydrophobicContact CG1-CE3 4.16Å; V192-W196 HydrophobicContact CG2-CD2 4.38Å; V192-W196 HydrophobicContact CG2-CE3 3.9Å; V192-W196 HydrophobicContact CG2-CH2 4.41Å; V192-W196 HydrophobicContact CG2-CZ3 3.93Å; V192-W196 CarbonylContact O-C 3.59Å; V192-W196 WeakPolarHBondContact O-CB 3.44Å; V192-W196 PolarHBondContact O-N 3.34Å; V192-K197 PolarHBondContact O-N 2.99Å; V192-C198 HydrophobicContact CG1-CB 4.11Å; V192-C198 PolarHBondContact O-N 3.28Å; V192-F200 HydrophobicContact CB-CB 4.22Å; V192-F200 HydrophobicContact CB-CD2 3.96Å; V192-F200 HydrophobicContact CB-CG 4.19Å; V192-F200 HydrophobicContact CG1-CB 3.8Å; V192-F200 HydrophobicContact CG1-CD2 3.82Å; V192-F200 HydrophobicContact CG1-CG 4.12Å; V192-F200 HydrophobicContact CG2-CD2 3.98Å; V192-F200 HydrophobicContact CG2-CE2 4.2Å |
| 193 | K | 98.1 | Very high | 96.5 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 48% | 0.478 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -72.6 | -42.3 | -176.4 | -65.2 | 179.5 | -176.5 | 170.6 | 0 | 112.5 | S189 K197 C198 F200 | S189-K193 WeakPolarHBondContact O-CB 3.39Å; S189-K193 VanDerWaalsContact O-CG 3.27Å; S189-K193 WeakPolarHBondContact O-CG 3.35Å; S189-K193 PolarHBondContact O-N 3.14Å; S189-K193 WeakPolarHBondContact OG-CD 3.34Å; S189-K193 VanDerWaalsContact OG-CE 3.28Å; S189-K193 WeakPolarHBondContact OG-CE 3.19Å; S189-K193 PolarHBondContact OG-NZ 2.86Å; K193-K197 WeakPolarHBondContact O-CA 3.25Å; K193-C198 WeakPolarHBondContact CA-O 3.3Å; K193-F200 HydrophobicContact CD-CB 4.46Å; K193-F200 HydrophobicContact CG-CB 3.86Å |
| 194 | K | 97.5 | Very high | 96.9 | Very high | 157 Ų | 157 | 56.4 Ų | 56.4 | 68% | 0.683 | 26% | 0.264 | S | S | * | . | I | π-helix | trans | -89.9 | -50.5 | -174 | -55.8 | -176.7 | -179 | 176.2 | 0 | 112.3 | S190 | S190-K194 WeakPolarHBondContact O-CA 3.48Å; S190-K194 WeakPolarHBondContact O-CB 3.43Å; S190-K194 WeakPolarHBondContact O-CG 3.32Å; S190-K194 PolarHBondContact O-N 3.05Å |
| 195 | Q | 97.5 | Very high | 97.2 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 62% | 0.621 | 25% | 0.251 | S | S | * | . | I | π-helix | trans | -79.9 | -46.2 | -175.1 | -53.3 | 178.3 | 8.8 | 0 | 0 | 111.2 | I191 | I191-Q195 WeakPolarHBondContact O-CA 3.5Å; I191-Q195 WeakPolarHBondContact O-CB 3.49Å; I191-Q195 PolarHBondContact O-N 2.69Å |
| 196 | W | 97.5 | Very high | 97.4 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -84.1 | -16.5 | -178.2 | -55.3 | -1.9 | 0 | 0 | 0 | 112.8 | F99 A102 K103 R106 V120 I191 V192 C198 | F99-W196 HydrophobicContact CD1-CH2 4.49Å; F99-W196 AromaticContact CD2-CH2 3.85Å; F99-W196 HydrophobicContact CD2-CH2 3.85Å; F99-W196 HydrophobicContact CE1-CH2 4.09Å; F99-W196 AromaticContact CE1-CZ2 3.82Å; F99-W196 HydrophobicContact CE1-CZ2 3.82Å; F99-W196 AromaticContact CE2-CH2 3.38Å; F99-W196 HydrophobicContact CE2-CH2 3.38Å; F99-W196 AromaticContact CE2-CZ2 3.82Å; F99-W196 HydrophobicContact CE2-CZ2 3.82Å; F99-W196 HydrophobicContact CE2-CZ3 4.15Å; F99-W196 HydrophobicContact CG-CH2 4.39Å; F99-W196 AromaticContact CZ-CH2 3.53Å; F99-W196 HydrophobicContact CZ-CH2 3.53Å; F99-W196 AromaticContact CZ-CZ2 3.42Å; F99-W196 HydrophobicContact CZ-CZ2 3.42Å; F99-W196 VanDerWaalsContact CZ-CZ2 3.42Å; A102-W196 HydrophobicContact CB-CH2 4.43Å; A102-W196 HydrophobicContact CB-CZ3 4.31Å; K103-W196 HydrophobicContact CB-CH2 3.7Å; K103-W196 HydrophobicContact CB-CZ2 3.43Å; K103-W196 VanDerWaalsContact CB-CZ2 3.43Å; K103-W196 HydrophobicContact CB-CZ3 4.45Å; K103-W196 HydrophobicContact CD-CZ2 4.11Å; K103-W196 HydrophobicContact CG-CD2 4.5Å; K103-W196 HydrophobicContact CG-CH2 4.38Å; K103-W196 HydrophobicContact CG-CZ2 3.69Å; R106-W196 HydrophobicContact CG-CB 4.23Å; R106-W196 PolarHBondContact NE-O 3.27Å; R106-W196 PolarHBondContact NH2-O 3.19Å; V120-W196 HydrophobicContact CG1-CZ3 4.26Å; V120-W196 HydrophobicContact CG2-CE3 4.28Å; I191-W196 HydrophobicContact CG2-CZ2 4.11Å; I191-W196 PolarHBondContact O-N 3.3Å; V192-W196 HydrophobicContact CB-CE3 4.36Å; V192-W196 HydrophobicContact CG1-CE3 4.16Å; V192-W196 HydrophobicContact CG2-CD2 4.38Å; V192-W196 HydrophobicContact CG2-CE3 3.9Å; V192-W196 HydrophobicContact CG2-CH2 4.41Å; V192-W196 HydrophobicContact CG2-CZ3 3.93Å; V192-W196 CarbonylContact O-C 3.59Å; V192-W196 WeakPolarHBondContact O-CB 3.44Å; V192-W196 PolarHBondContact O-N 3.34Å; W196-C198 VanDerWaalsContact C-N 3.26Å; W196-C198 PolarHBondContact O-N 3.19Å; W196-C198 PolarHBondContact O-SG 3.44Å |
| 197 | K | 96.1 | Very high | 97.5 | Very high | 172 Ų | 172 | 51.4 Ų | 51.4 | 75% | 0.748 | 24% | 0.242 | S | C | * | . | trans | 58.3 | 37.5 | -177.3 | -57.3 | -179.8 | -179 | 178.7 | 0 | 112.4 | V192 K193 | V192-K197 PolarHBondContact O-N 2.99Å; K193-K197 WeakPolarHBondContact O-CA 3.25Å | ||
| 198 | C | 96.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | trans | -112.9 | 139.4 | 178.8 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | V120 V192 K193 W196 | V120-C198 HydrophobicContact CG2-CB 3.72Å; V192-C198 HydrophobicContact CG1-CB 4.11Å; V192-C198 PolarHBondContact O-N 3.28Å; K193-C198 WeakPolarHBondContact CA-O 3.3Å; W196-C198 VanDerWaalsContact C-N 3.26Å; W196-C198 PolarHBondContact O-N 3.19Å; W196-C198 PolarHBondContact O-SG 3.44Å | ||
| 199 | P | 97.5 | Very high | 97.7 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 28% | 0.279 | 25% | 0.249 | S | C | . | . | trans | -48.1 | 146.3 | 158.4 | -27.6 | 36 | 0 | 0 | 0 | 111.1 | V118 L119 V120 T221 | V118-P199 WeakPolarHBondContact O-CD 3.32Å; L119-P199 HydrophobicContact CD1-CB 3.6Å; V120-P199 PolarHBondContact N-O 3.06Å; P199-T221 HydrophobicContact CG-CG2 3.96Å | ||
| 200 | F | 98.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 127 | -173.1 | 176.7 | -110.6 | 0 | 0 | 0 | 110.5 | F91 V120 A122 L188 V192 K193 E202 | F91-F200 AromaticContact CE1-CE2 3.92Å; F91-F200 HydrophobicContact CE1-CE2 3.92Å; F91-F200 AromaticContact CZ-CE2 3.86Å; F91-F200 HydrophobicContact CZ-CE2 3.86Å; F91-F200 HydrophobicContact CZ-CZ 4.41Å; V120-F200 HydrophobicContact CB-CD2 4.41Å; V120-F200 HydrophobicContact CG1-CD2 4.16Å; V120-F200 WeakPolarHBondContact O-CA 3.24Å; A122-F200 HydrophobicContact CB-CE2 3.49Å; A122-F200 VanDerWaalsContact CB-CE2 3.49Å; A122-F200 HydrophobicContact CB-CZ 3.44Å; A122-F200 VanDerWaalsContact CB-CZ 3.44Å; L188-F200 HydrophobicContact CB-CZ 4.43Å; V192-F200 HydrophobicContact CB-CB 4.22Å; V192-F200 HydrophobicContact CB-CD2 3.96Å; V192-F200 HydrophobicContact CB-CG 4.19Å; V192-F200 HydrophobicContact CG1-CB 3.8Å; V192-F200 HydrophobicContact CG1-CD2 3.82Å; V192-F200 HydrophobicContact CG1-CG 4.12Å; V192-F200 HydrophobicContact CG2-CD2 3.98Å; V192-F200 HydrophobicContact CG2-CE2 4.2Å; K193-F200 HydrophobicContact CD-CB 4.46Å; K193-F200 HydrophobicContact CG-CB 3.86Å; F200-E202 HydrophobicContact CE1-CG 3.61Å; F200-E202 HydrophobicContact CZ-CG 3.78Å |
| 201 | V | 98.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.2 | 176.1 | 174 | 0 | 0 | 0 | 0 | 109.2 | L119 V120 V121 A122 N210 V214 E217 | L119-V201 HydrophobicContact CD1-CB 4.47Å; L119-V201 HydrophobicContact CD1-CG2 3.94Å; L119-V201 HydrophobicContact CD2-CG2 4.46Å; V120-V201 PolarHBondContact O-N 3.48Å; V121-V201 CarbonylContact C-O 3.48Å; V121-V201 VanDerWaalsContact CA-O 3.29Å; V121-V201 WeakPolarHBondContact CA-O 3.39Å; A122-V201 PolarHBondContact N-O 3Å; V201-N210 HydrophobicContact CG1-CB 4.22Å; V201-V214 HydrophobicContact CB-CG2 4.16Å; V201-V214 HydrophobicContact CG1-CG2 3.57Å; V201-E217 HydrophobicContact CG2-CB 4.16Å; V201-E217 HydrophobicContact CG2-CG 4.06Å |
| 202 | E | 97.9 | Very high | 97.7 | Very high | 28 Ų | 28 | 55.5 Ų | 55.5 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 138.8 | 167 | -68 | 179.6 | -150 | 0 | 0 | 109.6 | A122 T125 R185 F200 W209 N210 | A122-E202 HydrophobicContact CB-CG 4.11Å; A122-E202 CarbonylContact O-C 3.57Å; A122-E202 WeakPolarHBondContact O-CA 3.19Å; T125-E202 HydrophobicContact CG2-CB 4.06Å; R185-E202 IonicContact CZ-OE2 2.69Å; R185-E202 IonicContact NE-OE1 3.2Å; R185-E202 IonicContact NE-OE2 2.69Å; R185-E202 PolarHBondContact NE-OE2 3.44Å; R185-E202 IonicContact NH2-OE1 3.76Å; R185-E202 IonicContact NH2-OE2 3.34Å; R185-E202 PolarHBondContact NH2-OE2 2.94Å; F200-E202 HydrophobicContact CE1-CG 3.61Å; F200-E202 HydrophobicContact CZ-CG 3.78Å; E202-W209 VanDerWaalsContact C-CZ3 3.45Å; E202-W209 HydrophobicContact CB-CH2 3.88Å; E202-W209 HydrophobicContact CB-CZ3 3.67Å; E202-W209 WeakPolarHBondContact O-CZ3 3.31Å; E202-N210 WeakPolarHBondContact O-CB 3.33Å; E202-N210 PolarHBondContact O-ND2 3.03Å |
| 203 | C | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -145.6 | 164.4 | 178.8 | 78.7 | 0 | 0 | 0 | 0 | 113.2 | V121 A122 N123 K124 T125 W209 N210 V214 | V121-C203 HydrophobicContact CG1-CB 4.25Å; V121-C203 WeakPolarHBondContact CG1-SG 3.16Å; A122-C203 PolarHBondContact O-N 3.25Å; N123-C203 CarbonylContact C-O 3.53Å; N123-C203 WeakPolarHBondContact CA-O 3.21Å; N123-C203 PolarHBondContact OD1-SG 3.43Å; N123-C203 VanDerWaalsContact OD1-SG 3.4Å; K124-C203 PolarHBondContact N-O 3.1Å; T125-C203 PolarHBondContact N-O 3.1Å; T125-C203 VanDerWaalsContact OG1-C 3.24Å; T125-C203 PolarHBondContact OG1-O 2.96Å; C203-W209 WeakPolarHBondContact CA-O 3.5Å; C203-W209 WeakPolarHBondContact CB-O 3.43Å; C203-N210 HydrophobicContact CB-CB 4.09Å; C203-V214 HydrophobicContact CB-CG2 4.15Å | ||
| 204 | S | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -134 | 105.7 | 164.7 | 172.2 | 0 | 0 | 0 | 0 | 108.8 | D126 K206 W207 N208 W209 | D126-S204 WeakPolarHBondContact CB-OG 3.26Å; D126-S204 VanDerWaalsContact CG-OG 3.28Å; D126-S204 WeakPolarHBondContact OD1-CB 3.26Å; D126-S204 PolarHBondContact OD1-OG 3.44Å; S204-K206 PolarHBondContact O-N 3.39Å; S204-K206 PolarHBondContact OG-N 3.44Å; S204-W207 PolarHBondContact O-N 2.86Å; S204-W207 PolarHBondContact OG-N 3.48Å; S204-N208 WeakPolarHBondContact O-CA 3.43Å; S204-N208 PolarHBondContact O-N 2.85Å; S204-W209 PolarHBondContact N-O 2.96Å; S204-W209 PolarHBondContact O-N 3.36Å |
| 205 | A | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I19 R22 F28 N123 N208 | I19-A205 HydrophobicContact CG1-CB 3.96Å; R22-A205 PolarHBondContact NE-O 3.23Å; F28-A205 HydrophobicContact CD2-CB 4.31Å; F28-A205 HydrophobicContact CE2-CB 4.33Å; N123-A205 PolarHBondContact OD1-N 3.09Å; A205-N208 PolarHBondContact O-N 2.85Å |
| 206 | K | 97.3 | Very high | 97.6 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 35% | 0.348 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -50.1 | 178.5 | -176.4 | 164.7 | 178 | 153.3 | 0 | 111.1 | R22 F28 D30 S204 N208 | R22-K206 PolarHBondContact NH2-O 3.39Å; F28-K206 HydrophobicContact CD1-CB 4.34Å; F28-K206 HydrophobicContact CD1-CG 4.05Å; F28-K206 HydrophobicContact CD2-CB 4.26Å; F28-K206 HydrophobicContact CE1-CB 3.93Å; F28-K206 HydrophobicContact CE1-CD 3.92Å; F28-K206 HydrophobicContact CE1-CG 3.66Å; F28-K206 HydrophobicContact CE2-CB 3.82Å; F28-K206 HydrophobicContact CE2-CG 4.47Å; F28-K206 HydrophobicContact CZ-CB 3.65Å; F28-K206 HydrophobicContact CZ-CD 4.13Å; F28-K206 HydrophobicContact CZ-CG 3.9Å; D30-K206 WeakPolarHBondContact OD1-CE 3.39Å; D30-K206 IonicContact OD1-NZ 2.73Å; D30-K206 PolarHBondContact OD1-NZ 3.31Å; S204-K206 PolarHBondContact O-N 3.39Å; S204-K206 PolarHBondContact OG-N 3.44Å; K206-N208 VanDerWaalsContact C-N 3.34Å |
| 207 | W | 96.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.5 | -178.3 | -64.6 | -10 | 0 | 0 | 0 | 114.7 | D126 L131 K135 S204 W209 | D126-W207 HydrophobicContact CB-CD2 3.48Å; D126-W207 VanDerWaalsContact CB-CD2 3.48Å; D126-W207 HydrophobicContact CB-CE3 3.79Å; D126-W207 HydrophobicContact CB-CG 4.06Å; D126-W207 HydrophobicContact CB-CH2 3.9Å; D126-W207 HydrophobicContact CB-CZ2 3.56Å; D126-W207 HydrophobicContact CB-CZ3 3.99Å; L131-W207 HydrophobicContact CB-CH2 3.59Å; L131-W207 HydrophobicContact CB-CZ3 3.63Å; L131-W207 HydrophobicContact CD1-CZ3 3.99Å; L131-W207 HydrophobicContact CD2-CH2 4.43Å; L131-W207 HydrophobicContact CD2-CZ3 3.7Å; L131-W207 HydrophobicContact CG-CH2 4.41Å; L131-W207 HydrophobicContact CG-CZ3 3.93Å; L131-W207 WeakPolarHBondContact O-CH2 3.32Å; K135-W207 HydrophobicContact CD-CZ2 4.19Å; S204-W207 PolarHBondContact O-N 2.86Å; S204-W207 PolarHBondContact OG-N 3.48Å; W207-W209 HydrophobicContact CB-CB 4.41Å; W207-W209 PolarHBondContact O-N 3.02Å |
| 208 | N | 97.5 | Very high | 97.6 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 32% | 0.316 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 28.6 | -171.6 | -163.3 | 25.9 | 0 | 0 | 0 | 113.2 | R22 N26 S204 A205 K206 | R22-N208 WeakPolarHBondContact CD-OD1 3.43Å; R22-N208 HydrophobicContact CG-CB 4.15Å; R22-N208 WeakPolarHBondContact CG-OD1 3.3Å; N26-N208 PolarHBondContact OD1-ND2 3.49Å; S204-N208 WeakPolarHBondContact O-CA 3.43Å; S204-N208 PolarHBondContact O-N 2.85Å; A205-N208 PolarHBondContact O-N 2.85Å; K206-N208 VanDerWaalsContact C-N 3.34Å |
| 209 | W | 97.7 | Very high | 97.4 | Very high | 105 Ų | 105 | 35.9 Ų | 35.9 | 40% | 0.398 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -89.3 | 125.5 | -179.3 | -177.1 | 76.6 | 0 | 0 | 0 | 109.7 | T125 E202 C203 S204 W207 V211 | T125-W209 HydrophobicContact CG2-CZ3 4.35Å; E202-W209 VanDerWaalsContact C-CZ3 3.45Å; E202-W209 HydrophobicContact CB-CH2 3.88Å; E202-W209 HydrophobicContact CB-CZ3 3.67Å; E202-W209 WeakPolarHBondContact O-CZ3 3.31Å; C203-W209 WeakPolarHBondContact CA-O 3.5Å; C203-W209 WeakPolarHBondContact CB-O 3.43Å; S204-W209 PolarHBondContact N-O 2.96Å; S204-W209 PolarHBondContact O-N 3.36Å; W207-W209 HydrophobicContact CB-CB 4.41Å; W207-W209 PolarHBondContact O-N 3.02Å; W209-V211 PolarHBondContact O-N 2.93Å; W209-V211 VanDerWaalsContact O-N 3.08Å |
| 210 | N | 98.2 | Very high | 97.2 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 25% | 0.246 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 57.2 | 11.7 | -177.2 | -73.6 | -13.1 | 0 | 0 | 0 | 116.7 | V201 E202 C203 T213 V214 | V201-N210 HydrophobicContact CG1-CB 4.22Å; E202-N210 WeakPolarHBondContact O-CB 3.33Å; E202-N210 PolarHBondContact O-ND2 3.03Å; C203-N210 HydrophobicContact CB-CB 4.09Å; N210-T213 WeakPolarHBondContact O-CB 3.34Å; N210-T213 PolarHBondContact O-N 3.07Å; N210-T213 PolarHBondContact OD1-OG1 3.2Å; N210-V214 WeakPolarHBondContact O-CG2 3.26Å; N210-V214 PolarHBondContact O-N 3.17Å |
| 211 | V | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -47.3 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | I19 R22 F23 W209 T213 V214 F215 | I19-V211 HydrophobicContact CG2-CG1 4.36Å; R22-V211 HydrophobicContact CB-CG1 4.08Å; R22-V211 HydrophobicContact CB-CG2 4.39Å; R22-V211 HydrophobicContact CG-CB 4.1Å; R22-V211 HydrophobicContact CG-CG1 3.89Å; R22-V211 HydrophobicContact CG-CG2 3.83Å; F23-V211 HydrophobicContact CB-CG1 3.86Å; W209-V211 PolarHBondContact O-N 2.93Å; W209-V211 VanDerWaalsContact O-N 3.08Å; V211-T213 VanDerWaalsContact C-N 3.33Å; V211-V214 WeakPolarHBondContact O-CB 3.27Å; V211-V214 PolarHBondContact O-N 3.02Å; V211-F215 WeakPolarHBondContact O-CD2 3.15Å |
| 212 | I | 97.2 | Very high | 96.7 | Very high | 89 Ų | 89 | 35.1 Ų | 35.1 | 46% | 0.456 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 175.1 | -67.8 | 170.7 | 0 | 0 | 0 | 110.3 | F23 V214 F215 H216 | F23-I212 HydrophobicContact CD2-CG1 4.37Å; I212-V214 VanDerWaalsContact C-N 3.28Å; I212-V214 PolarHBondContact O-N 3.41Å; I212-F215 PolarHBondContact O-N 2.89Å; I212-H216 VanDerWaalsContact CG2-CD2 3.41Å; I212-H216 WeakPolarHBondContact CG2-CD2 3.31Å; I212-H216 PolarHBondContact O-CD2 2.82Å; I212-H216 PolarHBondContact O-N 3.24Å; I212-H216 VanDerWaalsContact O-N 3.11Å |
| 213 | T | 97.7 | Very high | 96.3 | Very high | 64 Ų | 64 | 37.2 Ų | 37.2 | 39% | 0.393 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.4 | -39.5 | 177.3 | -45.4 | 0 | 0 | 0 | 0 | 112.8 | N210 V211 F215 H216 E217 | N210-T213 WeakPolarHBondContact O-CB 3.34Å; N210-T213 PolarHBondContact O-N 3.07Å; N210-T213 PolarHBondContact OD1-OG1 3.2Å; V211-T213 VanDerWaalsContact C-N 3.33Å; T213-F215 VanDerWaalsContact C-N 3.3Å; T213-F215 PolarHBondContact O-N 3.09Å; T213-H216 PolarHBondContact O-N 2.69Å; T213-E217 WeakPolarHBondContact O-CB 3.46Å; T213-E217 PolarHBondContact O-N 2.69Å |
| 214 | V | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55 | -45.6 | 175.5 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | L88 L119 V121 V201 C203 N210 V211 I212 L218 | L88-V214 HydrophobicContact CD1-CG1 4.02Å; L88-V214 HydrophobicContact CD2-CG1 3.55Å; L88-V214 HydrophobicContact CG-CG1 4.48Å; L119-V214 HydrophobicContact CD2-CG1 4.22Å; L119-V214 WeakPolarHBondContact CD2-O 3.43Å; V121-V214 HydrophobicContact CG1-CG2 3.91Å; V121-V214 HydrophobicContact CG2-CG1 3.76Å; V121-V214 HydrophobicContact CG2-CG2 4.07Å; V201-V214 HydrophobicContact CB-CG2 4.16Å; V201-V214 HydrophobicContact CG1-CG2 3.57Å; C203-V214 HydrophobicContact CB-CG2 4.15Å; N210-V214 WeakPolarHBondContact O-CG2 3.26Å; N210-V214 PolarHBondContact O-N 3.17Å; V211-V214 WeakPolarHBondContact O-CB 3.27Å; V211-V214 PolarHBondContact O-N 3.02Å; I212-V214 VanDerWaalsContact C-N 3.28Å; I212-V214 PolarHBondContact O-N 3.41Å; V214-L218 WeakPolarHBondContact O-CB 3.43Å; V214-L218 PolarHBondContact O-N 3.04Å |
| 215 | F | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.6 | -35.6 | -177 | -68.9 | -82.8 | 0 | 0 | 0 | 112.7 | I19 F23 I45 L54 I56 L88 V211 I212 T213 L218 V219 | I19-F215 HydrophobicContact CG2-CE2 3.85Å; I19-F215 HydrophobicContact CG2-CZ 4.15Å; F23-F215 HydrophobicContact CB-CD2 3.93Å; F23-F215 HydrophobicContact CB-CE2 3.46Å; F23-F215 VanDerWaalsContact CB-CE2 3.46Å; F23-F215 HydrophobicContact CB-CZ 4.17Å; F23-F215 HydrophobicContact CD1-CD1 4.25Å; F23-F215 AromaticContact CD1-CD2 3.78Å; F23-F215 HydrophobicContact CD1-CD2 3.78Å; F23-F215 HydrophobicContact CD1-CE1 4.17Å; F23-F215 AromaticContact CD1-CE2 3.71Å; F23-F215 HydrophobicContact CD1-CE2 3.71Å; F23-F215 HydrophobicContact CD1-CG 4.07Å; F23-F215 AromaticContact CD1-CZ 3.9Å; F23-F215 HydrophobicContact CD1-CZ 3.9Å; F23-F215 HydrophobicContact CD2-CB 4.42Å; F23-F215 AromaticContact CD2-CD2 3.43Å; F23-F215 HydrophobicContact CD2-CD2 3.43Å; F23-F215 VanDerWaalsContact CD2-CD2 3.43Å; F23-F215 AromaticContact CD2-CE2 3.91Å; F23-F215 HydrophobicContact CD2-CE2 3.91Å; F23-F215 HydrophobicContact CD2-CG 4.05Å; F23-F215 HydrophobicContact CE1-CB 4.47Å; F23-F215 HydrophobicContact CE1-CD1 4.11Å; F23-F215 HydrophobicContact CE1-CD2 4.12Å; F23-F215 HydrophobicContact CE1-CE1 4.4Å; F23-F215 HydrophobicContact CE1-CE2 4.43Å; F23-F215 AromaticContact CE1-CG 3.96Å; F23-F215 HydrophobicContact CE1-CG 3.96Å; F23-F215 HydrophobicContact CE2-CB 3.92Å; F23-F215 AromaticContact CE2-CD2 3.8Å; F23-F215 HydrophobicContact CE2-CD2 3.8Å; F23-F215 AromaticContact CE2-CG 3.95Å; F23-F215 HydrophobicContact CE2-CG 3.95Å; F23-F215 AromaticContact CG-CD2 3.42Å; F23-F215 HydrophobicContact CG-CD2 3.42Å; F23-F215 VanDerWaalsContact CG-CD2 3.42Å; F23-F215 AromaticContact CG-CE2 3.41Å; F23-F215 HydrophobicContact CG-CE2 3.41Å; F23-F215 VanDerWaalsContact CG-CE2 3.41Å; F23-F215 HydrophobicContact CG-CG 4.11Å; F23-F215 HydrophobicContact CG-CZ 4.07Å; F23-F215 HydrophobicContact CZ-CB 3.95Å; F23-F215 HydrophobicContact CZ-CD1 4.42Å; F23-F215 HydrophobicContact CZ-CD2 4.14Å; F23-F215 AromaticContact CZ-CG 3.91Å; F23-F215 HydrophobicContact CZ-CG 3.91Å; I45-F215 HydrophobicContact CD1-CB 3.98Å; L54-F215 HydrophobicContact CD1-CD1 4.05Å; I56-F215 HydrophobicContact CD1-CD1 4.05Å; I56-F215 HydrophobicContact CD1-CE1 3.51Å; I56-F215 HydrophobicContact CD1-CZ 4.15Å; I56-F215 HydrophobicContact CG1-CE1 4.19Å; L88-F215 HydrophobicContact CD1-CD1 4.37Å; L88-F215 HydrophobicContact CD1-CE1 3.81Å; L88-F215 HydrophobicContact CD1-CZ 4.14Å; V211-F215 WeakPolarHBondContact O-CD2 3.15Å; I212-F215 PolarHBondContact O-N 2.89Å; T213-F215 VanDerWaalsContact C-N 3.3Å; T213-F215 PolarHBondContact O-N 3.09Å; F215-L218 PolarHBondContact O-N 2.72Å; F215-V219 WeakPolarHBondContact O-CG2 3.45Å; F215-V219 PolarHBondContact O-N 2.64Å; F215-V219 VanDerWaalsContact O-N 3.12Å |
| 216 | H | 96.5 | Very high | 93.8 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 171.2 | -77.8 | -81.2 | 0 | 0 | 0 | 112 | F46 I212 T213 L218 V219 N220 | F46-H216 PolarHBondContact O-CE1 3.14Å; F46-H216 VanDerWaalsContact O-CE1 3.22Å; I212-H216 VanDerWaalsContact CG2-CD2 3.41Å; I212-H216 WeakPolarHBondContact CG2-CD2 3.31Å; I212-H216 PolarHBondContact O-CD2 2.82Å; I212-H216 PolarHBondContact O-N 3.24Å; I212-H216 VanDerWaalsContact O-N 3.11Å; T213-H216 PolarHBondContact O-N 2.69Å; H216-L218 VanDerWaalsContact C-N 3.27Å; H216-L218 PolarHBondContact O-N 2.81Å; H216-V219 PolarHBondContact O-N 2.88Å; H216-N220 WeakPolarHBondContact O-CB 3.46Å; H216-N220 PolarHBondContact O-N 3.02Å; H216-N220 PolarHBondContact O-ND2 3Å; H216-N220 PolarHBondContact O-OD1 2.95Å |
| 217 | E | 96.7 | Very high | 92.4 | Very high | 54 Ų | 54 | 47 Ų | 47 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.6 | -33 | 179.1 | -170.8 | 58.3 | -158.4 | 0 | 0 | 111.8 | L119 V201 T213 N220 T221 | L119-E217 HydrophobicContact CD1-CG 4.27Å; L119-E217 HydrophobicContact CD2-CB 4.13Å; L119-E217 HydrophobicContact CD2-CG 4.36Å; V201-E217 HydrophobicContact CG2-CB 4.16Å; V201-E217 HydrophobicContact CG2-CG 4.06Å; T213-E217 WeakPolarHBondContact O-CB 3.46Å; T213-E217 PolarHBondContact O-N 2.69Å; E217-N220 PolarHBondContact O-N 2.8Å; E217-T221 WeakPolarHBondContact O-CB 3.49Å; E217-T221 PolarHBondContact O-N 3.44Å; E217-T221 PolarHBondContact O-OG1 3.01Å |
| 218 | L | 96.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 173 | -171.2 | 74.7 | 0 | 0 | 0 | 111.6 | V6 A86 L88 L119 V214 F215 H216 N220 T221 I222 | V6-L218 HydrophobicContact CB-CD2 4.15Å; V6-L218 HydrophobicContact CG1-CD2 3.44Å; V6-L218 VanDerWaalsContact CG1-CD2 3.44Å; V6-L218 HydrophobicContact CG2-CD2 3.55Å; A86-L218 HydrophobicContact CB-CD1 3.73Å; A86-L218 HydrophobicContact CB-CD2 4.24Å; A86-L218 HydrophobicContact CB-CG 4Å; L88-L218 HydrophobicContact CD1-CD2 4.23Å; L88-L218 HydrophobicContact CD2-CB 4.5Å; L88-L218 HydrophobicContact CD2-CD1 3.85Å; L88-L218 HydrophobicContact CD2-CD2 4.24Å; L88-L218 HydrophobicContact CD2-CG 4.44Å; L88-L218 HydrophobicContact CG-CD1 4.14Å; L88-L218 HydrophobicContact CG-CD2 3.98Å; L119-L218 HydrophobicContact CB-CD1 3.75Å; L119-L218 HydrophobicContact CD2-CB 4.06Å; L119-L218 HydrophobicContact CD2-CD1 4.37Å; V214-L218 WeakPolarHBondContact O-CB 3.43Å; V214-L218 PolarHBondContact O-N 3.04Å; F215-L218 PolarHBondContact O-N 2.72Å; H216-L218 VanDerWaalsContact C-N 3.27Å; H216-L218 PolarHBondContact O-N 2.81Å; L218-N220 VanDerWaalsContact C-N 3.32Å; L218-N220 PolarHBondContact O-N 3.28Å; L218-T221 WeakPolarHBondContact O-CB 3.47Å; L218-T221 PolarHBondContact O-N 3.09Å; L218-I222 WeakPolarHBondContact O-CG1 3.35Å; L218-I222 PolarHBondContact O-N 3.24Å |
| 219 | V | 94.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | I45 F52 L54 F215 H216 T221 I222 R223 | I45-V219 HydrophobicContact CD1-CG2 4.41Å; I45-V219 HydrophobicContact CG2-CG2 3.98Å; F52-V219 HydrophobicContact CD2-CG1 4.01Å; F52-V219 HydrophobicContact CE2-CG1 3.96Å; F52-V219 HydrophobicContact CG-CG1 4.49Å; F52-V219 HydrophobicContact CZ-CG1 4.4Å; L54-V219 HydrophobicContact CD2-CG2 4.07Å; F215-V219 WeakPolarHBondContact O-CG2 3.45Å; F215-V219 PolarHBondContact O-N 2.64Å; F215-V219 VanDerWaalsContact O-N 3.12Å; H216-V219 PolarHBondContact O-N 2.88Å; V219-T221 VanDerWaalsContact C-N 3.29Å; V219-T221 PolarHBondContact O-N 3.5Å; V219-I222 PolarHBondContact O-N 3.28Å; V219-R223 WeakPolarHBondContact O-CG 3.26Å; V219-R223 PolarHBondContact O-N 2.85Å |
| 220 | N | 93.3 | Very high | 86 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 176.3 | -67.9 | -13.5 | 0 | 0 | 0 | 112.1 | S47 H216 E217 L218 R223 K224 | S47-N220 PolarHBondContact OG-OD1 3.22Å; H216-N220 WeakPolarHBondContact O-CB 3.46Å; H216-N220 PolarHBondContact O-N 3.02Å; H216-N220 PolarHBondContact O-ND2 3Å; H216-N220 PolarHBondContact O-OD1 2.95Å; E217-N220 PolarHBondContact O-N 2.8Å; L218-N220 VanDerWaalsContact C-N 3.32Å; L218-N220 PolarHBondContact O-N 3.28Å; N220-R223 PolarHBondContact O-N 3.4Å; N220-K224 VanDerWaalsContact O-CG 3.29Å; N220-K224 WeakPolarHBondContact O-CG 3.43Å; N220-K224 PolarHBondContact O-N 3.36Å |
| 221 | T | 93.5 | Very high | 83.5 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | A117 P199 E217 L218 V219 R223 K224 S225 | A117-T221 HydrophobicContact CB-CG2 3.83Å; P199-T221 HydrophobicContact CG-CG2 3.96Å; E217-T221 WeakPolarHBondContact O-CB 3.49Å; E217-T221 PolarHBondContact O-N 3.44Å; E217-T221 PolarHBondContact O-OG1 3.01Å; L218-T221 WeakPolarHBondContact O-CB 3.47Å; L218-T221 PolarHBondContact O-N 3.09Å; V219-T221 VanDerWaalsContact C-N 3.29Å; V219-T221 PolarHBondContact O-N 3.5Å; T221-R223 PolarHBondContact O-N 3.16Å; T221-K224 PolarHBondContact O-N 3.29Å; T221-S225 WeakPolarHBondContact O-CB 3.42Å; T221-S225 PolarHBondContact O-N 2.94Å; T221-S225 PolarHBondContact O-OG 3.41Å |
| 222 | I | 91.7 | Very high | 80.6 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 176.7 | -64.8 | 165 | 0 | 0 | 0 | 110.4 | I4 A86 A117 L218 V219 S225 A226 F253 | I4-I222 HydrophobicContact CD1-CD1 4.21Å; I4-I222 HydrophobicContact CG2-CD1 3.32Å; A86-I222 HydrophobicContact CB-CD1 3.6Å; A86-I222 HydrophobicContact CB-CG1 3.78Å; A117-I222 HydrophobicContact CB-CB 4.44Å; A117-I222 HydrophobicContact CB-CG1 3.58Å; L218-I222 WeakPolarHBondContact O-CG1 3.35Å; L218-I222 PolarHBondContact O-N 3.24Å; V219-I222 PolarHBondContact O-N 3.28Å; I222-S225 PolarHBondContact O-N 3.01Å; I222-S225 PolarHBondContact O-OG 3.19Å; I222-A226 PolarHBondContact O-N 3.46Å; I222-F253 HydrophobicContact CG2-CZ 4.49Å |
| 223 | R | 88.6 | Confident | 78.1 | Confident | 72 Ų | 72 | 52 Ų | 52 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -51 | 178.7 | -68 | 175.9 | 69.1 | 145.5 | 6.2 | 111.9 | S47 D48 V219 N220 T221 S225 A226 D227 | S47-R223 PolarHBondContact O-NH1 3.22Å; D48-R223 IonicContact OD2-CZ 3.03Å; D48-R223 IonicContact OD2-NE 3.4Å; D48-R223 PolarHBondContact OD2-NE 3.02Å; D48-R223 IonicContact OD2-NH1 2.71Å; D48-R223 PolarHBondContact OD2-NH1 3.3Å; D48-R223 IonicContact OD2-NH2 3.7Å; V219-R223 WeakPolarHBondContact O-CG 3.26Å; V219-R223 PolarHBondContact O-N 2.85Å; N220-R223 PolarHBondContact O-N 3.4Å; T221-R223 PolarHBondContact O-N 3.16Å; R223-S225 PolarHBondContact O-N 2.73Å; R223-A226 WeakPolarHBondContact O-CA 3.29Å; R223-A226 WeakPolarHBondContact O-CB 3.33Å; R223-A226 PolarHBondContact O-N 3.14Å; R223-D227 PolarHBondContact O-N 3.22Å |
| 224 | K | 87 | Confident | 75.2 | Confident | 118 Ų | 118 | 58.7 Ų | 58.7 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.6 | -39.3 | 176.3 | -70.4 | 170 | -175.1 | 170.7 | 0 | 111.8 | N220 T221 D227 L228 | N220-K224 VanDerWaalsContact O-CG 3.29Å; N220-K224 WeakPolarHBondContact O-CG 3.43Å; N220-K224 PolarHBondContact O-N 3.36Å; T221-K224 PolarHBondContact O-N 3.29Å; K224-D227 PolarHBondContact O-N 3.28Å; K224-L228 VanDerWaalsContact O-CG 3.24Å; K224-L228 WeakPolarHBondContact O-CG 3.49Å; K224-L228 PolarHBondContact O-N 2.93Å; K224-L228 VanDerWaalsContact O-N 3.12Å |
| 225 | S | 80 | Confident | 72.2 | Confident | 32 Ų | 32 | 63 Ų | 63 | 22% | 0.224 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 176.9 | 75 | 0 | 0 | 0 | 0 | 112.9 | T221 I222 R223 T229 | T221-S225 WeakPolarHBondContact O-CB 3.42Å; T221-S225 PolarHBondContact O-N 2.94Å; T221-S225 PolarHBondContact O-OG 3.41Å; I222-S225 PolarHBondContact O-N 3.01Å; I222-S225 PolarHBondContact O-OG 3.19Å; R223-S225 PolarHBondContact O-N 2.73Å; S225-T229 WeakPolarHBondContact O-CG2 3.35Å; S225-T229 PolarHBondContact O-N 3.4Å |
| 226 | A | 75.8 | Confident | 69.3 | Low | 23 Ų | 23 | 66.9 Ų | 66.9 | 19% | 0.19 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I222 R223 L228 T229 G230 P251 | I222-A226 PolarHBondContact O-N 3.46Å; R223-A226 WeakPolarHBondContact O-CA 3.29Å; R223-A226 WeakPolarHBondContact O-CB 3.33Å; R223-A226 PolarHBondContact O-N 3.14Å; A226-L228 PolarHBondContact O-N 2.85Å; A226-T229 PolarHBondContact O-N 2.97Å; A226-T229 VanDerWaalsContact O-N 3.14Å; A226-T229 PolarHBondContact O-OG1 2.94Å; A226-G230 PolarHBondContact O-N 3.19Å; A226-G230 VanDerWaalsContact O-N 3.14Å; A226-P251 HydrophobicContact CB-CG 3.88Å |
| 227 | D | 67 | Low | 66.1 | Low | 113 Ų | 113 | 70.4 Ų | 70.4 | 60% | 0.604 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 179.6 | -63.4 | -29.4 | 0 | 0 | 0 | 112 | R223 K224 T229 G230 A231 | R223-D227 PolarHBondContact O-N 3.22Å; K224-D227 PolarHBondContact O-N 3.28Å; D227-T229 VanDerWaalsContact C-N 3.27Å; D227-T229 PolarHBondContact O-N 2.95Å; D227-G230 WeakPolarHBondContact O-CA 3.46Å; D227-G230 PolarHBondContact O-N 3.49Å; D227-A231 PolarHBondContact O-N 3.02Å |
| 228 | L | 56.5 | Low | 63.2 | Low | 127 Ų | 127 | 72.9 Ų | 72.9 | 67% | 0.665 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.9 | -35.2 | 175.9 | -71.5 | 170.5 | 0 | 0 | 0 | 112.4 | K224 A226 G230 N232 | K224-L228 VanDerWaalsContact O-CG 3.24Å; K224-L228 WeakPolarHBondContact O-CG 3.49Å; K224-L228 PolarHBondContact O-N 2.93Å; K224-L228 VanDerWaalsContact O-N 3.12Å; A226-L228 PolarHBondContact O-N 2.85Å; L228-G230 VanDerWaalsContact C-N 3.34Å; L228-N232 PolarHBondContact O-N 2.78Å |
| 229 | T | 57.4 | Low | 60.2 | Low | 64 Ų | 64 | 78.6 Ų | 78.6 | 39% | 0.393 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.5 | -26.8 | 174.4 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | S225 A226 D227 | S225-T229 WeakPolarHBondContact O-CG2 3.35Å; S225-T229 PolarHBondContact O-N 3.4Å; A226-T229 PolarHBondContact O-N 2.97Å; A226-T229 VanDerWaalsContact O-N 3.14Å; A226-T229 PolarHBondContact O-OG1 2.94Å; D227-T229 VanDerWaalsContact C-N 3.27Å; D227-T229 PolarHBondContact O-N 2.95Å |
| 230 | G | 44.5 | Very low | 57.5 | Low | 42 Ų | 42 | 82.2 Ų | 82.2 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -77.8 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A226 D227 L228 A233 | A226-G230 PolarHBondContact O-N 3.19Å; A226-G230 VanDerWaalsContact O-N 3.14Å; D227-G230 WeakPolarHBondContact O-CA 3.46Å; D227-G230 PolarHBondContact O-N 3.49Å; L228-G230 VanDerWaalsContact C-N 3.34Å; G230-A233 PolarHBondContact O-N 2.66Å |
| 231 | A | 46.2 | Very low | 54.8 | Low | 75 Ų | 75 | 89.4 Ų | 89.4 | 62% | 0.62 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.1 | -37.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D227 A233 | D227-A231 PolarHBondContact O-N 3.02Å; A231-A233 PolarHBondContact O-N 3.29Å |
| 232 | N | 37.3 | Very low | 51.9 | Low | 125 Ų | 125 | 93.7 Ų | 93.7 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -77.5 | -0.3 | -178.9 | -160.1 | 35.7 | 0 | 0 | 0 | 114.1 | L228 | L228-N232 PolarHBondContact O-N 2.78Š|
| 233 | A | 44.2 | Very low | 49.3 | Very low | 60 Ų | 60 | 97.1 Ų | 97.1 | 50% | 0.496 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -85.7 | -4.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G230 A231 | G230-A233 PolarHBondContact O-N 2.66Å; A231-A233 PolarHBondContact O-N 3.29Å |
| 234 | K | 37.6 | Very low | 46.8 | Very low | 203 Ų | 203 | 100 Ų | 100 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -100.6 | 11.3 | -176.7 | -71.8 | -168.8 | 177.6 | -177.7 | 0 | 115.5 | ||
| 235 | S | 35.3 | Very low | 44.2 | Very low | 90 Ų | 90 | 105.2 Ų | 105.2 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | trans | -136.1 | 115.6 | 175.7 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 236 | G | 35.3 | Very low | 42.3 | Very low | 82 Ų | 82 | 111.7 Ų | 111.7 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | trans | 140.1 | 83 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 237 | T | 30.7 | Very low | 40.5 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | -72 | 149.9 | 160.6 | -26.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 238 | S | 34.5 | Very low | 39.2 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | 74.5 | 124.6 | 157.5 | 59.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 239 | S | 34.1 | Very low | 38.7 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | 60.2 | 111.8 | 139 | 61.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 240 | G | 37.8 | Very low | 38 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 167 | 106.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S242 | G240-S242 PolarHBondContact O-N 3.41Š| ||
| 241 | L | 35.9 | Very low | 37.8 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 98% | 0.979 | 75% | 0.747 | S | S | * | * | trans | -65.9 | 112.3 | 170.4 | -72 | 128.8 | 0 | 0 | 0 | 109.7 | ||||
| 242 | S | 31.8 | Very low | 37.7 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -168.7 | 129.6 | 159.1 | -174.5 | 0 | 0 | 0 | 0 | 113 | G240 | G240-S242 PolarHBondContact O-N 3.41Š| ||
| 243 | A | 37.4 | Very low | 37.8 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 73% | 0.731 | S | S | * | * | trans | 53.7 | 144.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | R245 | A243-R245 VanDerWaalsContact C-N 3.35Å; A243-R245 PolarHBondContact O-N 2.75Å | ||
| 244 | P | 36.3 | Very low | 37.6 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | trans | -64.7 | 95.1 | 174.7 | -10.4 | 25.1 | 0 | 0 | 0 | 109.3 | L246 | P244-L246 PolarHBondContact O-N 3.38Š| ||
| 245 | R | 33.6 | Very low | 37.5 | Very low | 226 Ų | 226 | 133.4 Ų | 133.4 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | -60.8 | 108.5 | 168.8 | -79.7 | -177.6 | 173.4 | -173.3 | -0.8 | 106.8 | A243 R247 | A243-R245 VanDerWaalsContact C-N 3.35Å; A243-R245 PolarHBondContact O-N 2.75Å; R245-R247 VanDerWaalsContact C-N 3.34Å; R245-R247 PolarHBondContact O-N 3.46Å | ||
| 246 | L | 39.3 | Very low | 37.4 | Very low | 168 Ų | 168 | 139.4 Ų | 139.4 | 88% | 0.88 | 74% | 0.739 | S | S | * | * | trans | -47.8 | 105.9 | 162.2 | -154 | 79.9 | 0 | 0 | 0 | 105.7 | P244 K248 | P244-L246 PolarHBondContact O-N 3.38Å; L246-K248 PolarHBondContact O-N 2.98Å | ||
| 247 | R | 38.4 | Very low | 36.9 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | trans | -55.6 | 109.4 | -173.2 | -79.3 | -177.3 | 169.6 | 174.1 | -3.5 | 106.2 | R245 R249 | R245-R247 VanDerWaalsContact C-N 3.34Å; R245-R247 PolarHBondContact O-N 3.46Å; R247-R249 PolarHBondContact O-N 3.43Å | ||
| 248 | K | 38.4 | Very low | 37.1 | Very low | 201 Ų | 201 | 145 Ų | 145 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | -49.9 | 113 | 173.2 | -76.4 | -174.6 | 178.5 | 179.8 | 0 | 105.1 | L246 R250 | L246-K248 PolarHBondContact O-N 2.98Å; K248-R250 PolarHBondContact O-N 3.46Å | ||
| 249 | R | 47.1 | Very low | 36.9 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | trans | -57.1 | 110.1 | 179.1 | -76.2 | -178.1 | 156 | -174 | -5.9 | 105.5 | R247 | R247-R249 PolarHBondContact O-N 3.43Š| ||
| 250 | R | 41.8 | Very low | 37 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | trans | -52 | 136.1 | 153.6 | -76.8 | -177.4 | 160.9 | -173.8 | -5.3 | 104.7 | K248 L252 | K248-R250 PolarHBondContact O-N 3.46Å; R250-L252 HydrophobicContact CB-CD1 4.36Å; R250-L252 PolarHBondContact O-N 3.47Å | ||
| 251 | P | 41.7 | Very low | 36.6 | Very low | 39 Ų | 39 | 151.1 Ų | 151.1 | 25% | 0.253 | 72% | 0.721 | S | S | . | * | trans | -64 | 76.9 | 158.7 | 26.8 | -29.7 | 0 | 0 | 0 | 106.4 | A226 F253 | A226-P251 HydrophobicContact CB-CG 3.88Å; P251-F253 VanDerWaalsContact C-N 3.31Å; P251-F253 PolarHBondContact O-N 3.1Å; P251-F253 VanDerWaalsContact O-N 3.11Å | ||
| 252 | L | 42.6 | Very low | 36.7 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 64% | 0.639 | 72% | 0.715 | S | S | * | * | trans | -76.6 | 98.3 | 169.8 | -123.9 | 149.9 | 0 | 0 | 0 | 101.6 | R250 V254 | R250-L252 HydrophobicContact CB-CD1 4.36Å; R250-L252 PolarHBondContact O-N 3.47Å; L252-V254 HydrophobicContact CB-CG2 4.07Å; L252-V254 HydrophobicContact CD2-CG2 3.84Å; L252-V254 PolarHBondContact O-N 3.48Å | ||
| 253 | F | 41.1 | Very low | 36.9 | Very low | 70 Ų | 70 | 155.6 Ų | 155.6 | 31% | 0.307 | 72% | 0.722 | S | S | . | * | trans | -60.1 | 79.7 | 165 | -65.7 | -84.3 | 0 | 0 | 0 | 106.6 | P2 I222 P251 F255 | P2-F253 HydrophobicContact CB-CD1 4.46Å; I222-F253 HydrophobicContact CG2-CZ 4.49Å; P251-F253 VanDerWaalsContact C-N 3.31Å; P251-F253 PolarHBondContact O-N 3.1Å; P251-F253 VanDerWaalsContact O-N 3.11Å; F253-F255 HydrophobicContact CB-CE2 4.05Å; F253-F255 HydrophobicContact CB-CZ 4.11Å; F253-F255 WeakPolarHBondContact O-CD2 3.41Å; F253-F255 WeakPolarHBondContact O-CE2 3.08Å; F253-F255 PolarHBondContact O-N 2.82Å; F253-F255 VanDerWaalsContact O-N 3.09Å | ||
| 254 | V | 38.3 | Very low | 36.6 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | -78.3 | 98.2 | 172.7 | 179.4 | 0 | 0 | 0 | 0 | 105.4 | L252 R256 | L252-V254 HydrophobicContact CB-CG2 4.07Å; L252-V254 HydrophobicContact CD2-CG2 3.84Å; L252-V254 PolarHBondContact O-N 3.48Å; V254-R256 PolarHBondContact O-N 2.94Å | ||
| 255 | F | 35.6 | Very low | 36.4 | Very low | 155 Ų | 155 | 159.3 Ų | 159.3 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | -63.4 | 98.2 | 175.8 | -63.1 | -84.7 | 0 | 0 | 0 | 109.3 | P2 F253 | P2-F255 HydrophobicContact CB-CE1 4.34Å; P2-F255 HydrophobicContact CG-CE1 4.41Å; F253-F255 HydrophobicContact CB-CE2 4.05Å; F253-F255 HydrophobicContact CB-CZ 4.11Å; F253-F255 WeakPolarHBondContact O-CD2 3.41Å; F253-F255 WeakPolarHBondContact O-CE2 3.08Å; F253-F255 PolarHBondContact O-N 2.82Å; F253-F255 VanDerWaalsContact O-N 3.09Å | ||
| 256 | R | 33 | Very low | 36.5 | Very low | 215 Ų | 215 | 153.8 Ų | 153.8 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | trans | -90.9 | 114 | 163.8 | -164.8 | 174.1 | -173.6 | 176.3 | 1.7 | 107.3 | V254 T258 | V254-R256 PolarHBondContact O-N 2.94Å; R256-T258 HydrophobicContact CG-CG2 4.35Å; R256-T258 PolarHBondContact O-N 3.4Å | ||
| 257 | R | 26.2 | Very low | 36.3 | Very low | 248 Ų | 248 | 151.7 Ų | 151.7 | 94% | 0.936 | 72% | 0.717 | S | S | * | * | trans | -58.8 | 105.5 | 161.1 | -81.3 | -176.2 | -178.4 | 171.5 | 0.6 | 106.6 | ||||
| 258 | T | 34.1 | Very low | 36.3 | Very low | 87 Ų | 87 | 146.8 Ų | 146.8 | 53% | 0.534 | 71% | 0.714 | S | S | . | * | trans | -96.4 | 104.4 | 164.6 | 58.4 | 0 | 0 | 0 | 0 | 106.9 | R256 R260 | R256-T258 HydrophobicContact CG-CG2 4.35Å; R256-T258 PolarHBondContact O-N 3.4Å; T258-R260 PolarHBondContact O-N 3.14Å; T258-R260 VanDerWaalsContact O-N 3.11Å | ||
| 259 | T | 29.6 | Very low | 36.2 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 86% | 0.859 | 71% | 0.713 | S | S | * | * | trans | -63.8 | 105.2 | 159.3 | 45.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 260 | R | 36.7 | Very low | 35.9 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 53% | 0.525 | 72% | 0.72 | S | S | . | * | trans | -94.3 | 122 | 169.4 | -70 | -164.8 | -157.5 | -173.3 | 8.8 | 108.4 | Y42 T258 | Y42-R260 PolarHBondContact OH-NH1 3.34Å; Y42-R260 PolarHBondContact OH-NH2 2.88Å; T258-R260 PolarHBondContact O-N 3.14Å; T258-R260 VanDerWaalsContact O-N 3.11Å | ||
| 261 | D | 30.9 | Very low | 35.7 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 73% | 0.73 | S | S | * | * | trans | -50.7 | 139.3 | 168.2 | -70.7 | -49.7 | 0 | 0 | 0 | 110.9 | Q263 | D261-Q263 PolarHBondContact O-N 3.41Å; D261-Q263 VanDerWaalsContact O-N 3.1Å | ||
| 262 | K | 36.1 | Very low | 35.8 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | -51 | 112.5 | 178.8 | -64.5 | 173.8 | 178.4 | 178.8 | 0 | 109.4 | T264 | K262-T264 VanDerWaalsContact C-N 3.35Å; K262-T264 PolarHBondContact O-N 3.41Å; K262-T264 VanDerWaalsContact O-N 3.09Å | ||
| 263 | Q | 37.2 | Very low | 35.8 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | -68.9 | 103.2 | 152.9 | -84.2 | -177.4 | -21 | 0 | 0 | 106.7 | D261 L265 | D261-Q263 PolarHBondContact O-N 3.41Å; D261-Q263 VanDerWaalsContact O-N 3.1Å; Q263-L265 PolarHBondContact O-N 2.96Å | ||
| 264 | T | 31.2 | Very low | 35.8 | Very low | 130 Ų | 130 | 160.9 Ų | 160.9 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 120.8 | 168.5 | 35.4 | 0 | 0 | 0 | 0 | 109.2 | K262 | K262-T264 VanDerWaalsContact C-N 3.35Å; K262-T264 PolarHBondContact O-N 3.41Å; K262-T264 VanDerWaalsContact O-N 3.09Å |
| 265 | L | 32.6 | Very low | 35.7 | Very low | 160 Ų | 160 | 163.3 Ų | 163.3 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 145.5 | 163.4 | -75.4 | 162.3 | 0 | 0 | 0 | 108.7 | Q263 | Q263-L265 PolarHBondContact O-N 2.96Š|
| 266 | P | 34.5 | Very low | 35.7 | Very low | 110 Ų | 110 | 163.7 Ų | 163.7 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.5 | -179.8 | 27.4 | -33.3 | 0 | 0 | 0 | 111 | T268 | P266-T268 PolarHBondContact O-N 2.82Š|
| 267 | P | 35.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 160.8 Ų | 160.8 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 127.7 | -172.5 | 25.3 | -32.6 | 0 | 0 | 0 | 111.5 | Q269 | P267-Q269 PolarHBondContact O-N 3.38Š|
| 268 | T | 37.8 | Very low | 36.4 | Very low | 133 Ų | 133 | 155.7 Ų | 155.7 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.3 | 168.8 | -34.7 | 0 | 0 | 0 | 0 | 108.6 | P266 Q270 | P266-T268 PolarHBondContact O-N 2.82Å; T268-Q270 PolarHBondContact O-N 2.75Å |
| 269 | Q | 38 | Very low | 36.6 | Very low | 183 Ų | 183 | 160 Ų | 160 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | trans | -60.8 | 108.4 | 170.7 | -71.8 | -177.2 | -14.2 | 0 | 0 | 108.4 | P267 T271 | P267-Q269 PolarHBondContact O-N 3.38Å; Q269-T271 PolarHBondContact O-N 3.21Å | ||
| 270 | Q | 39 | Very low | 37 | Very low | 186 Ų | 186 | 161.3 Ų | 161.3 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | trans | -69.4 | 114.4 | 167.5 | -80.6 | 176.9 | -18.3 | 0 | 0 | 108.1 | T268 V272 | T268-Q270 PolarHBondContact O-N 2.75Å; Q270-V272 PolarHBondContact O-N 2.93Å | ||
| 271 | T | 39.2 | Very low | 37.1 | Very low | 134 Ų | 134 | 162.9 Ų | 162.9 | 82% | 0.822 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.2 | 164.2 | 44.3 | 0 | 0 | 0 | 0 | 109.2 | Q269 | Q269-T271 PolarHBondContact O-N 3.21Š|
| 272 | V | 43.9 | Very low | 37.5 | Very low | 138 Ų | 138 | 163.5 Ų | 163.5 | 84% | 0.836 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 125 | 171.1 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | Q270 | Q270-V272 PolarHBondContact O-N 2.93Š|
| 273 | P | 42.8 | Very low | 37.6 | Very low | 114 Ų | 114 | 160.9 Ų | 160.9 | 74% | 0.74 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 129.4 | 179.2 | 31.7 | -28.6 | 0 | 0 | 0 | 112.6 | ||
| 274 | R | 40.4 | Very low | 37.7 | Very low | 325 Ų | 325 | 157.9 Ų | 157.9 | 100% | 1.226 | 85% | 0.847 | S | S | * | * | trans | 64 | 0 | 169.1 | -70.3 | -168.1 | -177.2 | -164.1 | 1.5 | 118.6 |
Retrieved 274 of 274 residues in 136.6 ms
(Link to these results)