| 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 | 96.2 | Very high | 96.4 | Very high | 112 Ų | 112 | 31.5 Ų | 31.5 | 55% | 0.552 | 16% | 0.157 | S | C | * | . | 0 | 127.3 | 0 | -167.9 | 55.2 | 78 | 0 | 0 | 108.1 | E30 D32 Y91 | M1-E30 CarbonylContact C-O 3.56Å; M1-E30 WeakPolarHBondContact CA-O 3.13Å; M1-D32 HydrophobicContact CG-CB 4.14Å; M1-D32 VanDerWaalsContact CG-OD2 3.23Å; M1-D32 WeakPolarHBondContact CG-OD2 3.46Å; M1-D32 HydrophobicContact SD-CB 4.33Å; M1-Y91 HydrophobicContact CG-CD1 4.41Å; M1-Y91 HydrophobicContact CG-CE1 3.91Å | |||
| 2 | K | 97.9 | Very high | 96.2 | Very high | 76 Ų | 76 | 30.9 Ų | 30.9 | 33% | 0.33 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 147.3 | 175.5 | -70.6 | 171.2 | -176 | 147.9 | 0 | 109.3 | E30 W31 D32 N96 | K2-E30 PolarHBondContact N-O 3.24Å; K2-E30 IonicContact NZ-OE2 2.64Å; K2-E30 PolarHBondContact NZ-OE2 3.43Å; K2-W31 HydrophobicContact CB-CD2 3.59Å; K2-W31 HydrophobicContact CB-CE3 3.63Å; K2-W31 HydrophobicContact CB-CG 4.11Å; K2-W31 HydrophobicContact CB-CH2 4.23Å; K2-W31 HydrophobicContact CB-CZ2 4.2Å; K2-W31 HydrophobicContact CB-CZ3 3.95Å; K2-W31 HydrophobicContact CD-CD2 4.1Å; K2-W31 VanDerWaalsContact CD-CE2 3.45Å; K2-W31 HydrophobicContact CD-CH2 4.16Å; K2-W31 HydrophobicContact CD-CZ2 3.51Å; K2-W31 HydrophobicContact CG-CZ2 4.45Å; K2-W31 WeakPolarHBondContact O-CA 3.29Å; K2-D32 PolarHBondContact O-N 3.27Å; K2-N96 WeakPolarHBondContact CA-OD1 3.36Å; K2-N96 VanDerWaalsContact CB-OD1 3.22Å; K2-N96 WeakPolarHBondContact CB-OD1 3.45Å |
| 3 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.7 | -175.8 | 174.3 | 63.5 | 0 | 0 | 0 | 111.2 | Y34 V87 Y91 I95 N96 I97 | L3-Y34 HydrophobicContact CD1-CD2 3.43Å; L3-Y34 VanDerWaalsContact CD1-CD2 3.43Å; L3-Y34 HydrophobicContact CD1-CE2 3.76Å; L3-Y34 HydrophobicContact CD1-CG 4.47Å; L3-V87 HydrophobicContact CD2-CB 4.38Å; L3-V87 HydrophobicContact CD2-CG1 3.69Å; L3-V87 HydrophobicContact CD2-CG2 3.88Å; L3-Y91 HydrophobicContact CB-CD1 3.79Å; L3-Y91 HydrophobicContact CB-CE1 4.25Å; L3-Y91 HydrophobicContact CB-CG 3.99Å; L3-Y91 HydrophobicContact CD1-CD1 4.45Å; L3-Y91 HydrophobicContact CD1-CD2 4.31Å; L3-Y91 HydrophobicContact CD1-CE1 4.23Å; L3-Y91 HydrophobicContact CD1-CE2 4.07Å; L3-Y91 HydrophobicContact CD1-CG 4.5Å; L3-Y91 HydrophobicContact CD2-CD1 4.46Å; L3-Y91 HydrophobicContact CD2-CD2 3.79Å; L3-Y91 HydrophobicContact CD2-CE2 4.34Å; L3-Y91 HydrophobicContact CD2-CG 3.87Å; L3-Y91 HydrophobicContact CG-CD1 4.46Å; L3-Y91 HydrophobicContact CG-CD2 4.45Å; L3-Y91 HydrophobicContact CG-CG 4.34Å; L3-I95 HydrophobicContact CD2-CB 4.39Å; L3-I95 HydrophobicContact CD2-CG1 3.69Å; L3-N96 PolarHBondContact N-OD1 3.5Å; L3-N96 WeakPolarHBondContact O-CA 3.25Å; L3-N96 WeakPolarHBondContact O-CB 3.38Å; L3-N96 PolarHBondContact O-N 3.02Å; L3-I97 PolarHBondContact O-N 2.87Å |
| 4 | A | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | W31 D32 I33 Y34 I97 | A4-W31 HydrophobicContact CB-CE3 4.2Å; A4-W31 HydrophobicContact CB-CZ3 4.16Å; A4-D32 PolarHBondContact N-O 3.24Å; A4-I33 HydrophobicContact CB-CG1 4.21Å; A4-I33 WeakPolarHBondContact O-CA 3.04Å; A4-Y34 PolarHBondContact O-N 3.35Å; A4-I97 CarbonylContact C-O 3.55Å; A4-I97 VanDerWaalsContact CA-O 3.3Å; A4-I97 WeakPolarHBondContact CA-O 3.27Å; A4-I97 HydrophobicContact CB-CB 3.76Å; A4-I97 HydrophobicContact CB-CD1 4.43Å; A4-I97 HydrophobicContact CB-CG2 4.26Å |
| 5 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.7 | 166.6 | 74.4 | -97.9 | 0 | 0 | 0 | 112 | T7 Y34 T36 F83 I95 I97 A98 V99 F132 F136 | F5-T7 HydrophobicContact CD2-CG2 4.08Å; F5-T7 HydrophobicContact CE2-CG2 3.77Å; F5-Y34 WeakPolarHBondContact CA-O 3.4Å; F5-T36 HydrophobicContact CB-CG2 4.39Å; F5-F83 HydrophobicContact CB-CZ 4.01Å; F5-F83 HydrophobicContact CD1-CE1 4.01Å; F5-F83 AromaticContact CD1-CZ 3.84Å; F5-F83 HydrophobicContact CD1-CZ 3.84Å; F5-F83 HydrophobicContact CD2-CE1 4.47Å; F5-F83 HydrophobicContact CD2-CZ 4.32Å; F5-F83 HydrophobicContact CE1-CE1 4.07Å; F5-F83 HydrophobicContact CE1-CZ 4.38Å; F5-F83 HydrophobicContact CG-CE1 4.21Å; F5-F83 AromaticContact CG-CZ 3.8Å; F5-F83 HydrophobicContact CG-CZ 3.8Å; F5-F83 HydrophobicContact CZ-CE1 4.37Å; F5-I95 HydrophobicContact CD1-CG2 3.95Å; F5-I95 HydrophobicContact CE1-CD1 3.96Å; F5-I95 HydrophobicContact CE1-CG1 4.17Å; F5-I95 HydrophobicContact CE1-CG2 3.69Å; F5-I97 PolarHBondContact N-O 3.3Å; F5-A98 HydrophobicContact CD1-CB 4.49Å; F5-A98 HydrophobicContact CE1-CB 3.72Å; F5-A98 HydrophobicContact CE2-CB 4.16Å; F5-A98 HydrophobicContact CZ-CB 3.51Å; F5-V99 PolarHBondContact O-N 3.32Å; F5-F132 AromaticContact CE2-CE1 3.72Å; F5-F132 HydrophobicContact CE2-CE1 3.72Å; F5-F132 HydrophobicContact CE2-CZ 4.22Å; F5-F132 AromaticContact CZ-CE1 3.88Å; F5-F132 HydrophobicContact CZ-CE1 3.88Å; F5-F132 HydrophobicContact CZ-CZ 4.13Å; F5-F136 AromaticContact CZ-CD1 3.96Å; F5-F136 HydrophobicContact CZ-CD1 3.96Å; F5-F136 AromaticContact CZ-CE1 3.98Å; F5-F136 HydrophobicContact CZ-CE1 3.98Å; F5-F136 HydrophobicContact CZ-CG 4.44Å; F5-F136 HydrophobicContact CZ-CZ 4.5Å |
| 6 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.2 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | S9 I17 V18 L21 Y34 T36 V99 N101 | V6-S9 WeakPolarHBondContact O-CB 3.2Å; V6-S9 PolarHBondContact O-OG 3.39Å; V6-I17 HydrophobicContact CG1-CB 4.35Å; V6-I17 HydrophobicContact CG1-CG2 4.31Å; V6-I17 HydrophobicContact CG2-CB 4.46Å; V6-I17 HydrophobicContact CG2-CG2 3.81Å; V6-V18 HydrophobicContact CB-CG2 3.72Å; V6-V18 HydrophobicContact CG1-CG2 4.46Å; V6-V18 HydrophobicContact CG2-CG2 3.59Å; V6-L21 HydrophobicContact CG2-CD1 3.93Å; V6-Y34 PolarHBondContact N-O 3.18Å; V6-Y34 VanDerWaalsContact N-O 3.11Å; V6-T36 PolarHBondContact O-N 2.76Å; V6-T36 PolarHBondContact O-OG1 3.14Å; V6-T36 VanDerWaalsContact O-OG1 3.12Å; V6-V99 WeakPolarHBondContact CA-O 3.45Å; V6-V99 HydrophobicContact CB-CB 4.3Å; V6-V99 HydrophobicContact CG1-CB 4.03Å; V6-V99 HydrophobicContact CG1-CG1 4.15Å; V6-V99 HydrophobicContact CG2-CB 4.04Å; V6-V99 HydrophobicContact CG2-CG2 4.2Å; V6-N101 HydrophobicContact CG1-CB 3.92Å |
| 7 | T | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 141.5 | 178.7 | 66 | 0 | 0 | 0 | 0 | 112.2 | F5 S9 T36 L72 I74 V99 N100 N101 A102 F132 | F5-T7 HydrophobicContact CD2-CG2 4.08Å; F5-T7 HydrophobicContact CE2-CG2 3.77Å; T7-S9 PolarHBondContact O-N 2.98Å; T7-T36 WeakPolarHBondContact CA-OG1 3.33Å; T7-L72 HydrophobicContact CG2-CD2 3.96Å; T7-I74 HydrophobicContact CG2-CG2 4.11Å; T7-V99 PolarHBondContact N-O 3.15Å; T7-N100 WeakPolarHBondContact OG1-CA 3.27Å; T7-N101 VanDerWaalsContact O-CB 3.31Å; T7-N101 WeakPolarHBondContact O-CB 3.4Å; T7-N101 PolarHBondContact O-ND2 2.89Å; T7-N101 PolarHBondContact OG1-N 2.99Å; T7-A102 PolarHBondContact O-N 2.93Å; T7-A102 VanDerWaalsContact O-N 3.1Å; T7-A102 WeakPolarHBondContact OG1-CB 3.41Å; T7-A102 PolarHBondContact OG1-N 3.13Å; T7-F132 HydrophobicContact CG2-CD1 4.29Å; T7-F132 HydrophobicContact CG2-CE1 3.86Å |
| 8 | G | 94.5 | Very high | 96.7 | Very high | 23 Ų | 23 | 23.9 Ų | 23.9 | 24% | 0.237 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T36 N101 | G8-T36 CarbonylContact C-O 3.48Å; G8-T36 WeakPolarHBondContact CA-O 3.19Å; G8-T36 PolarHBondContact N-O 3.33Å; G8-N101 PolarHBondContact O-ND2 3.37Å |
| 9 | S | 95.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -107.1 | 8 | -170.2 | 48.9 | 0 | 0 | 0 | 0 | 114.7 | V6 T7 K11 G14 F15 L35 T36 | V6-S9 WeakPolarHBondContact O-CB 3.2Å; V6-S9 PolarHBondContact O-OG 3.39Å; T7-S9 PolarHBondContact O-N 2.98Å; S9-K11 PolarHBondContact O-N 2.85Å; S9-G14 VanDerWaalsContact CB-C 3.4Å; S9-G14 WeakPolarHBondContact CB-O 3.33Å; S9-F15 WeakPolarHBondContact O-CA 3.43Å; S9-F15 WeakPolarHBondContact O-CB 3.19Å; S9-F15 PolarHBondContact O-N 2.93Å; S9-L35 WeakPolarHBondContact O-CD1 3.02Å; S9-L35 WeakPolarHBondContact O-CG 3.23Å; S9-L35 VanDerWaalsContact OG-CA 3.28Å; S9-L35 WeakPolarHBondContact OG-CA 3.44Å; S9-L35 WeakPolarHBondContact OG-CG 3.35Å; S9-T36 PolarHBondContact N-O 2.87Å; S9-T36 PolarHBondContact OG-N 3.18Å; S9-T36 PolarHBondContact OG-O 2.92Å | ||
| 10 | N | 91.3 | Very high | 96.9 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 12% | 0.118 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -65.5 | -13.5 | 172.1 | 65.1 | -33.3 | 0 | 0 | 0 | 114.2 | L35 N49 L52 | N10-L35 HydrophobicContact CB-CD2 4.11Å; N10-N49 PolarHBondContact ND2-OD1 3.34Å; N10-L52 HydrophobicContact CB-CB 4.48Å |
| 11 | K | 91.8 | Very high | 97 | Very high | 113 Ų | 113 | 23 Ų | 23 | 49% | 0.491 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -156.5 | 177.8 | 175.1 | 63.5 | 179.6 | -177.1 | 172.9 | 0 | 112.5 | S9 F15 D242 | S9-K11 PolarHBondContact O-N 2.85Å; K11-F15 PolarHBondContact O-N 2.99Å; K11-D242 IonicContact NZ-OD2 2.97Å; K11-D242 PolarHBondContact NZ-OD2 3.37Å |
| 12 | G | 94.7 | Very high | 97.1 | Very high | 25 Ų | 25 | 17.7 Ų | 17.7 | 26% | 0.258 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | 60.7 | -143.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G14 F15 S16 | G12-G14 VanDerWaalsContact C-N 3.34Å; G12-G14 PolarHBondContact O-N 2.88Å; G12-F15 PolarHBondContact O-N 3.37Å; G12-S16 PolarHBondContact O-N 2.86Å |
| 13 | I | 96.1 | Very high | 97 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 13% | 0.133 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | -177.9 | -61.9 | 162.4 | 0 | 0 | 0 | 111.1 | F15 S16 I17 P236 V239 T241 | I13-F15 VanDerWaalsContact C-N 3.29Å; I13-F15 PolarHBondContact O-N 3.28Å; I13-S16 PolarHBondContact O-N 3.18Å; I13-S16 VanDerWaalsContact O-N 3.1Å; I13-I17 HydrophobicContact CG2-CD1 3.75Å; I13-I17 HydrophobicContact CG2-CG1 4.14Å; I13-I17 WeakPolarHBondContact O-CG1 3.27Å; I13-I17 PolarHBondContact O-N 3.06Å; I13-P236 HydrophobicContact CD1-CB 3.86Å; I13-P236 HydrophobicContact CD1-CG 3.81Å; I13-P236 HydrophobicContact CG2-CB 4.43Å; I13-V239 HydrophobicContact CD1-CB 3.95Å; I13-V239 HydrophobicContact CD1-CG1 4.25Å; I13-V239 HydrophobicContact CD1-CG2 3.79Å; I13-V239 HydrophobicContact CG1-CB 4.11Å; I13-V239 HydrophobicContact CG1-CG1 3.83Å; I13-V239 HydrophobicContact CG1-CG2 4.09Å; I13-T241 HydrophobicContact CG1-CG2 4.44Å |
| 14 | G | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S9 G12 I17 V18 N101 | S9-G14 VanDerWaalsContact CB-C 3.4Å; S9-G14 WeakPolarHBondContact CB-O 3.33Å; G12-G14 VanDerWaalsContact C-N 3.34Å; G12-G14 PolarHBondContact O-N 2.88Å; G14-I17 PolarHBondContact O-N 2.89Å; G14-V18 WeakPolarHBondContact O-CG2 3.49Å; G14-V18 PolarHBondContact O-N 3.26Å; G14-N101 WeakPolarHBondContact CA-ND2 3.44Å |
| 15 | F | 97.4 | Very high | 96.9 | Very high | 29 Ų | 29 | 26.9 Ų | 26.9 | 13% | 0.127 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 173.8 | 179.2 | -88.9 | 0 | 0 | 0 | 111.7 | S9 K11 G12 I13 I17 V18 E19 L35 A56 K59 L60 | S9-F15 WeakPolarHBondContact O-CA 3.43Å; S9-F15 WeakPolarHBondContact O-CB 3.19Å; S9-F15 PolarHBondContact O-N 2.93Å; K11-F15 PolarHBondContact O-N 2.99Å; G12-F15 PolarHBondContact O-N 3.37Å; I13-F15 VanDerWaalsContact C-N 3.29Å; I13-F15 PolarHBondContact O-N 3.28Å; F15-I17 VanDerWaalsContact C-N 3.32Å; F15-I17 PolarHBondContact O-N 2.89Å; F15-V18 WeakPolarHBondContact O-CB 3.41Å; F15-V18 PolarHBondContact O-N 2.85Å; F15-E19 PolarHBondContact O-N 2.67Å; F15-L35 HydrophobicContact CD2-CD1 4.09Å; F15-A56 HydrophobicContact CD2-CB 3.91Å; F15-A56 HydrophobicContact CE2-CB 3.89Å; F15-K59 HydrophobicContact CE2-CB 4.3Å; F15-K59 HydrophobicContact CZ-CB 4.04Å; F15-L60 HydrophobicContact CD2-CD1 4.43Å; F15-L60 HydrophobicContact CE1-CD2 4.14Å; F15-L60 HydrophobicContact CE2-CD1 3.87Å; F15-L60 HydrophobicContact CE2-CD2 4.25Å; F15-L60 HydrophobicContact CE2-CG 3.76Å; F15-L60 HydrophobicContact CZ-CD1 4.18Å; F15-L60 HydrophobicContact CZ-CD2 3.69Å; F15-L60 HydrophobicContact CZ-CG 3.64Å |
| 16 | S | 98.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -30.3 | 178.3 | -68.4 | 0 | 0 | 0 | 0 | 113 | G12 I13 E19 K20 T252 | G12-S16 PolarHBondContact O-N 2.86Å; I13-S16 PolarHBondContact O-N 3.18Å; I13-S16 VanDerWaalsContact O-N 3.1Å; S16-E19 PolarHBondContact O-N 3.01Å; S16-K20 WeakPolarHBondContact O-CG 3.46Å; S16-K20 PolarHBondContact O-N 2.57Å; S16-T252 WeakPolarHBondContact CB-O 3.5Å; S16-T252 VanDerWaalsContact OG-CB 3.29Å; S16-T252 WeakPolarHBondContact OG-CB 3.36Å; S16-T252 PolarHBondContact OG-OG1 3.43Å |
| 17 | I | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 171.6 | -64.6 | 168.4 | 0 | 0 | 0 | 110.2 | V6 I13 G14 F15 E19 K20 L21 V99 A256 P259 | V6-I17 HydrophobicContact CG1-CB 4.35Å; V6-I17 HydrophobicContact CG1-CG2 4.31Å; V6-I17 HydrophobicContact CG2-CB 4.46Å; V6-I17 HydrophobicContact CG2-CG2 3.81Å; I13-I17 HydrophobicContact CG2-CD1 3.75Å; I13-I17 HydrophobicContact CG2-CG1 4.14Å; I13-I17 WeakPolarHBondContact O-CG1 3.27Å; I13-I17 PolarHBondContact O-N 3.06Å; G14-I17 PolarHBondContact O-N 2.89Å; F15-I17 VanDerWaalsContact C-N 3.32Å; F15-I17 PolarHBondContact O-N 2.89Å; I17-E19 VanDerWaalsContact C-N 3.29Å; I17-E19 PolarHBondContact O-N 2.83Å; I17-K20 PolarHBondContact O-N 3.33Å; I17-L21 HydrophobicContact CG2-CD1 4.01Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 WeakPolarHBondContact O-CB 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.16Å; I17-L21 PolarHBondContact O-N 3.28Å; I17-V99 HydrophobicContact CD1-CG1 4.08Å; I17-V99 HydrophobicContact CG2-CG1 4.44Å; I17-V99 HydrophobicContact CG2-CG2 4.3Å; I17-A256 HydrophobicContact CB-CB 4.46Å; I17-A256 HydrophobicContact CG1-CB 3.62Å; I17-P259 HydrophobicContact CD1-CB 3.54Å; I17-P259 HydrophobicContact CD1-CG 3.93Å; I17-P259 HydrophobicContact CG1-CB 4.06Å |
| 18 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 175.8 | 169 | 0 | 0 | 0 | 0 | 110.7 | V6 G14 F15 L21 A22 I33 L35 L60 V67 | V6-V18 HydrophobicContact CB-CG2 3.72Å; V6-V18 HydrophobicContact CG1-CG2 4.46Å; V6-V18 HydrophobicContact CG2-CG2 3.59Å; G14-V18 WeakPolarHBondContact O-CG2 3.49Å; G14-V18 PolarHBondContact O-N 3.26Å; F15-V18 WeakPolarHBondContact O-CB 3.41Å; F15-V18 PolarHBondContact O-N 2.85Å; V18-L21 PolarHBondContact O-N 3.43Å; V18-A22 WeakPolarHBondContact O-CB 3.17Å; V18-A22 PolarHBondContact O-N 3.39Å; V18-I33 HydrophobicContact CG1-CG2 4.07Å; V18-L35 HydrophobicContact CG1-CB 4.31Å; V18-L35 HydrophobicContact CG2-CB 4.26Å; V18-L60 HydrophobicContact CG1-CD1 3.71Å; V18-V67 HydrophobicContact CG1-CB 4.25Å; V18-V67 HydrophobicContact CG1-CG1 3.75Å |
| 19 | E | 98.3 | Very high | 95.6 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.8 | -54.4 | 176.7 | -173 | 165.5 | -173.9 | 0 | 0 | 111.5 | F15 S16 I17 L21 A22 E23 L60 K63 L65 | F15-E19 PolarHBondContact O-N 2.67Å; S16-E19 PolarHBondContact O-N 3.01Å; I17-E19 VanDerWaalsContact C-N 3.29Å; I17-E19 PolarHBondContact O-N 2.83Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 2.89Å; E19-A22 WeakPolarHBondContact O-CB 3.44Å; E19-A22 PolarHBondContact O-N 3.34Å; E19-E23 WeakPolarHBondContact O-CG 3.33Å; E19-E23 PolarHBondContact O-N 3.5Å; E19-L60 HydrophobicContact CB-CD2 3.71Å; E19-L60 HydrophobicContact CG-CD2 3.71Å; E19-K63 WeakPolarHBondContact OE1-CD 3.2Å; E19-K63 WeakPolarHBondContact OE1-CE 3.43Å; E19-K63 IonicContact OE1-NZ 2.7Å; E19-K63 PolarHBondContact OE1-NZ 3.32Å; E19-K63 IonicContact OE2-NZ 3.9Å; E19-K63 PolarHBondContact OE2-NZ 3.18Å; E19-L65 HydrophobicContact CG-CD1 3.77Å |
| 20 | K | 98.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 43 Ų | 43 | 12% | 0.122 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 178.7 | -70.7 | -173.2 | -179 | -53.6 | 0 | 112.8 | S16 I17 A22 F24 D253 A256 F260 | S16-K20 WeakPolarHBondContact O-CG 3.46Å; S16-K20 PolarHBondContact O-N 2.57Å; I17-K20 PolarHBondContact O-N 3.33Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-F24 VanDerWaalsContact O-CB 3.27Å; K20-F24 WeakPolarHBondContact O-CB 3.49Å; K20-F24 PolarHBondContact O-N 2.87Å; K20-D253 WeakPolarHBondContact CE-O 3.36Å; K20-D253 WeakPolarHBondContact CE-OD1 3.27Å; K20-D253 IonicContact NZ-OD1 3.86Å; K20-D253 PolarHBondContact NZ-OD1 2.91Å; K20-D253 IonicContact NZ-OD2 3.63Å; K20-D253 PolarHBondContact NZ-OD2 3.34Å; K20-A256 HydrophobicContact CD-CB 4.11Å; K20-F260 HydrophobicContact CB-CB 4.37Å; K20-F260 HydrophobicContact CB-CD2 3.56Å; K20-F260 HydrophobicContact CB-CE2 3.93Å; K20-F260 HydrophobicContact CB-CG 3.92Å; K20-F260 HydrophobicContact CD-CB 4.02Å; K20-F260 HydrophobicContact CD-CD1 4.25Å; K20-F260 HydrophobicContact CD-CG 4.01Å; K20-F260 WeakPolarHBondContact O-CE2 3.39Å |
| 21 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.9 | -72.6 | 173 | 0 | 0 | 0 | 111.3 | V6 I17 V18 E19 F24 Y25 I33 I97 F260 A263 T264 | V6-L21 HydrophobicContact CG2-CD1 3.93Å; I17-L21 HydrophobicContact CG2-CD1 4.01Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 WeakPolarHBondContact O-CB 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.16Å; I17-L21 PolarHBondContact O-N 3.28Å; V18-L21 PolarHBondContact O-N 3.43Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-L21 PolarHBondContact O-N 2.89Å; L21-F24 PolarHBondContact O-N 2.78Å; L21-Y25 HydrophobicContact CD2-CD2 4.16Å; L21-Y25 HydrophobicContact CD2-CE2 4.05Å; L21-Y25 WeakPolarHBondContact O-CB 3.45Å; L21-Y25 PolarHBondContact O-N 3.29Å; L21-I33 VanDerWaalsContact C-CD1 3.46Å; L21-I33 HydrophobicContact CB-CD1 4.12Å; L21-I33 HydrophobicContact CB-CG2 4.27Å; L21-I33 WeakPolarHBondContact O-CD1 3.17Å; L21-I97 HydrophobicContact CD1-CG2 4.47Å; L21-I97 HydrophobicContact CD2-CD1 4.09Å; L21-F260 HydrophobicContact CD2-CD2 4.1Å; L21-F260 HydrophobicContact CD2-CE2 4.35Å; L21-F260 HydrophobicContact CG-CD2 4.41Å; L21-A263 HydrophobicContact CD2-CB 4.19Å; L21-T264 HydrophobicContact CD2-CG2 3.92Å |
| 22 | A | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.9 | -40.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V18 E19 K20 F24 G26 I33 L65 V67 | V18-A22 WeakPolarHBondContact O-CB 3.17Å; V18-A22 PolarHBondContact O-N 3.39Å; E19-A22 WeakPolarHBondContact O-CB 3.44Å; E19-A22 PolarHBondContact O-N 3.34Å; K20-A22 VanDerWaalsContact C-N 3.33Å; A22-F24 VanDerWaalsContact C-N 3.33Å; A22-G26 WeakPolarHBondContact O-CA 3.46Å; A22-G26 PolarHBondContact O-N 3.11Å; A22-I33 HydrophobicContact CB-CD1 4.02Å; A22-L65 HydrophobicContact CB-CB 4.04Å; A22-L65 HydrophobicContact CB-CD1 4.4Å; A22-L65 HydrophobicContact CB-CD2 4.29Å; A22-L65 HydrophobicContact CB-CG 4.48Å; A22-V67 HydrophobicContact CB-CG1 3.65Å |
| 23 | E | 97.7 | Very high | 96.4 | Very high | 112 Ų | 112 | 38.1 Ų | 38.1 | 52% | 0.523 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 171.8 | -69.9 | 175.5 | 159.2 | 0 | 0 | 111.6 | E19 L65 | E19-E23 WeakPolarHBondContact O-CG 3.33Å; E19-E23 PolarHBondContact O-N 3.5Å; E23-L65 HydrophobicContact CG-CD1 3.84Å; E23-L65 HydrophobicContact CG-CD2 3.87Å |
| 24 | F | 97.5 | Very high | 96.5 | Very high | 118 Ų | 118 | 37.5 Ų | 37.5 | 52% | 0.518 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -77 | -42.5 | -174.6 | -169.9 | -100.7 | 0 | 0 | 0 | 113.5 | K20 L21 A22 F260 T264 | K20-F24 VanDerWaalsContact O-CB 3.27Å; K20-F24 WeakPolarHBondContact O-CB 3.49Å; K20-F24 PolarHBondContact O-N 2.87Å; L21-F24 PolarHBondContact O-N 2.78Å; A22-F24 VanDerWaalsContact C-N 3.33Å; F24-F260 HydrophobicContact CB-CE2 3.78Å; F24-F260 HydrophobicContact CB-CZ 3.85Å; F24-F260 AromaticContact CD2-CZ 3.89Å; F24-F260 HydrophobicContact CD2-CZ 3.89Å; F24-F260 HydrophobicContact CG-CE2 4.11Å; F24-F260 AromaticContact CG-CZ 3.85Å; F24-F260 HydrophobicContact CG-CZ 3.85Å; F24-T264 HydrophobicContact CD1-CG2 3.97Å; F24-T264 HydrophobicContact CE1-CG2 4.19Å |
| 25 | Y | 97 | Very high | 96.4 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -108.5 | -26.7 | -173.4 | -71.3 | -53.3 | 0 | 0 | 0 | 114.5 | L21 A27 S28 W31 I97 T264 | L21-Y25 HydrophobicContact CD2-CD2 4.16Å; L21-Y25 HydrophobicContact CD2-CE2 4.05Å; L21-Y25 WeakPolarHBondContact O-CB 3.45Å; L21-Y25 PolarHBondContact O-N 3.29Å; Y25-A27 VanDerWaalsContact C-N 3.32Å; Y25-A27 PolarHBondContact O-N 2.77Å; Y25-S28 WeakPolarHBondContact O-CB 3.22Å; Y25-S28 PolarHBondContact O-N 2.88Å; Y25-S28 VanDerWaalsContact O-N 3.13Å; Y25-S28 PolarHBondContact O-OG 2.65Å; Y25-W31 AromaticContact CD1-CD1 3.91Å; Y25-W31 HydrophobicContact CD1-CD2 4.16Å; Y25-W31 AromaticContact CD1-CE2 3.48Å; Y25-W31 VanDerWaalsContact CD1-CE2 3.48Å; Y25-W31 HydrophobicContact CD1-CG 4.37Å; Y25-W31 AromaticContact CD1-CZ2 3.8Å; Y25-W31 HydrophobicContact CD1-CZ2 3.8Å; Y25-W31 AromaticContact CD1-NE1 3.3Å; Y25-W31 VanDerWaalsContact CD1-NE1 3.3Å; Y25-W31 HydrophobicContact CD2-CD2 4.14Å; Y25-W31 HydrophobicContact CD2-CE3 4.32Å; Y25-W31 HydrophobicContact CD2-CH2 4.39Å; Y25-W31 HydrophobicContact CD2-CZ2 4.21Å; Y25-W31 HydrophobicContact CD2-CZ3 4.44Å; Y25-W31 AromaticContact CE1-CE2 3.8Å; Y25-W31 HydrophobicContact CE1-CH2 4.41Å; Y25-W31 AromaticContact CE1-CZ2 3.6Å; Y25-W31 HydrophobicContact CE1-CZ2 3.6Å; Y25-W31 AromaticContact CE1-NE1 3.91Å; Y25-W31 HydrophobicContact CE2-CH2 4.07Å; Y25-W31 HydrophobicContact CE2-CZ2 4.02Å; Y25-W31 HydrophobicContact CE2-CZ3 4.44Å; Y25-W31 AromaticContact CG-CD1 3.95Å; Y25-W31 AromaticContact CG-CD2 3.84Å; Y25-W31 HydrophobicContact CG-CD2 3.84Å; Y25-W31 AromaticContact CG-CE2 3.64Å; Y25-W31 HydrophobicContact CG-CE3 4.46Å; Y25-W31 HydrophobicContact CG-CG 4.01Å; Y25-W31 HydrophobicContact CG-CZ2 4.11Å; Y25-W31 AromaticContact CG-NE1 3.7Å; Y25-W31 AromaticContact CZ-CZ2 3.72Å; Y25-I97 HydrophobicContact CD2-CD1 4.32Å; Y25-I97 HydrophobicContact CE2-CD1 3.52Å; Y25-T264 HydrophobicContact CE2-CG2 3.76Å |
| 26 | G | 89.3 | Confident | 96.1 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -61.4 | -36.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A22 S28 G29 | A22-G26 WeakPolarHBondContact O-CA 3.46Å; A22-G26 PolarHBondContact O-N 3.11Å; G26-S28 PolarHBondContact O-N 3.28Å; G26-S28 VanDerWaalsContact O-N 3.14Å; G26-G29 PolarHBondContact O-N 2.8Å |
| 27 | A | 90.2 | Very high | 95.6 | Very high | 104 Ų | 104 | 35.9 Ų | 35.9 | 86% | 0.86 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -63.9 | -19.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y25 G29 | Y25-A27 VanDerWaalsContact C-N 3.32Å; Y25-A27 PolarHBondContact O-N 2.77Å; A27-G29 VanDerWaalsContact C-N 3.32Å; A27-G29 PolarHBondContact O-N 2.64Å |
| 28 | S | 91.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 40 Ų | 40 | 46% | 0.462 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -73.5 | -22 | 179.4 | 68 | 0 | 0 | 0 | 0 | 113.7 | Y25 G26 E30 | Y25-S28 WeakPolarHBondContact O-CB 3.22Å; Y25-S28 PolarHBondContact O-N 2.88Å; Y25-S28 VanDerWaalsContact O-N 3.13Å; Y25-S28 PolarHBondContact O-OG 2.65Å; G26-S28 PolarHBondContact O-N 3.28Å; G26-S28 VanDerWaalsContact O-N 3.14Å; S28-E30 PolarHBondContact O-N 3.24Å; S28-E30 PolarHBondContact OG-N 3.35Å |
| 29 | G | 91.5 | Very high | 93.1 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 59% | 0.588 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 66.3 | 5.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G26 A27 | G26-G29 PolarHBondContact O-N 2.8Å; A27-G29 VanDerWaalsContact C-N 3.32Å; A27-G29 PolarHBondContact O-N 2.64Å |
| 30 | E | 96.3 | Very high | 90.8 | Very high | 106 Ų | 106 | 47.6 Ų | 47.6 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | trans | -93.4 | -8.9 | 179.5 | -63.9 | -170.8 | 177.5 | 0 | 0 | 113.8 | M1 K2 S28 | M1-E30 CarbonylContact C-O 3.56Å; M1-E30 WeakPolarHBondContact CA-O 3.13Å; K2-E30 PolarHBondContact N-O 3.24Å; K2-E30 IonicContact NZ-OE2 2.64Å; K2-E30 PolarHBondContact NZ-OE2 3.43Å; S28-E30 PolarHBondContact O-N 3.24Å; S28-E30 PolarHBondContact OG-N 3.35Å | ||
| 31 | W | 97.9 | Very high | 87.9 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.5 | -169.7 | -72.3 | 83 | 0 | 0 | 0 | 112.3 | K2 A4 Y25 I33 N96 I97 | K2-W31 HydrophobicContact CB-CD2 3.59Å; K2-W31 HydrophobicContact CB-CE3 3.63Å; K2-W31 HydrophobicContact CB-CG 4.11Å; K2-W31 HydrophobicContact CB-CH2 4.23Å; K2-W31 HydrophobicContact CB-CZ2 4.2Å; K2-W31 HydrophobicContact CB-CZ3 3.95Å; K2-W31 HydrophobicContact CD-CD2 4.1Å; K2-W31 VanDerWaalsContact CD-CE2 3.45Å; K2-W31 HydrophobicContact CD-CH2 4.16Å; K2-W31 HydrophobicContact CD-CZ2 3.51Å; K2-W31 HydrophobicContact CG-CZ2 4.45Å; K2-W31 WeakPolarHBondContact O-CA 3.29Å; A4-W31 HydrophobicContact CB-CE3 4.2Å; A4-W31 HydrophobicContact CB-CZ3 4.16Å; Y25-W31 AromaticContact CD1-CD1 3.91Å; Y25-W31 HydrophobicContact CD1-CD2 4.16Å; Y25-W31 AromaticContact CD1-CE2 3.48Å; Y25-W31 VanDerWaalsContact CD1-CE2 3.48Å; Y25-W31 HydrophobicContact CD1-CG 4.37Å; Y25-W31 AromaticContact CD1-CZ2 3.8Å; Y25-W31 HydrophobicContact CD1-CZ2 3.8Å; Y25-W31 AromaticContact CD1-NE1 3.3Å; Y25-W31 VanDerWaalsContact CD1-NE1 3.3Å; Y25-W31 HydrophobicContact CD2-CD2 4.14Å; Y25-W31 HydrophobicContact CD2-CE3 4.32Å; Y25-W31 HydrophobicContact CD2-CH2 4.39Å; Y25-W31 HydrophobicContact CD2-CZ2 4.21Å; Y25-W31 HydrophobicContact CD2-CZ3 4.44Å; Y25-W31 AromaticContact CE1-CE2 3.8Å; Y25-W31 HydrophobicContact CE1-CH2 4.41Å; Y25-W31 AromaticContact CE1-CZ2 3.6Å; Y25-W31 HydrophobicContact CE1-CZ2 3.6Å; Y25-W31 AromaticContact CE1-NE1 3.91Å; Y25-W31 HydrophobicContact CE2-CH2 4.07Å; Y25-W31 HydrophobicContact CE2-CZ2 4.02Å; Y25-W31 HydrophobicContact CE2-CZ3 4.44Å; Y25-W31 AromaticContact CG-CD1 3.95Å; Y25-W31 AromaticContact CG-CD2 3.84Å; Y25-W31 HydrophobicContact CG-CD2 3.84Å; Y25-W31 AromaticContact CG-CE2 3.64Å; Y25-W31 HydrophobicContact CG-CE3 4.46Å; Y25-W31 HydrophobicContact CG-CG 4.01Å; Y25-W31 HydrophobicContact CG-CZ2 4.11Å; Y25-W31 AromaticContact CG-NE1 3.7Å; Y25-W31 AromaticContact CZ-CZ2 3.72Å; W31-I33 HydrophobicContact CB-CG1 4.45Å; W31-N96 HydrophobicContact CH2-CB 3.82Å; W31-N96 HydrophobicContact CZ3-CB 3.75Å; W31-I97 HydrophobicContact CH2-CD1 3.71Å; W31-I97 HydrophobicContact CH2-CG1 4.07Å; W31-I97 HydrophobicContact CZ3-CD1 3.7Å; W31-I97 HydrophobicContact CZ3-CG1 3.99Å |
| 32 | D | 97.8 | Very high | 85.1 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.3 | 161.7 | -75.4 | -33.2 | 0 | 0 | 0 | 109 | M1 K2 A4 Y34 K68 Y91 | M1-D32 HydrophobicContact CG-CB 4.14Å; M1-D32 VanDerWaalsContact CG-OD2 3.23Å; M1-D32 WeakPolarHBondContact CG-OD2 3.46Å; M1-D32 HydrophobicContact SD-CB 4.33Å; K2-D32 PolarHBondContact O-N 3.27Å; A4-D32 PolarHBondContact N-O 3.24Å; D32-Y34 HydrophobicContact CB-CE2 4Å; D32-K68 HydrophobicContact CB-CD 4.42Å; D32-K68 WeakPolarHBondContact OD1-CE 3.48Å; D32-K68 IonicContact OD1-NZ 3.74Å; D32-K68 PolarHBondContact OD1-NZ 3.35Å; D32-K68 IonicContact OD2-NZ 2.74Å; D32-K68 PolarHBondContact OD2-NZ 2.96Å; D32-Y91 HydrophobicContact CB-CE1 3.88Å; D32-Y91 WeakPolarHBondContact CB-OH 3.41Å; D32-Y91 WeakPolarHBondContact OD2-CE1 3.38Å; D32-Y91 PolarHBondContact OD2-OH 3.12Å |
| 33 | I | 97.9 | Very high | 82.6 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.1 | -177.7 | -59.2 | 164.1 | 0 | 0 | 0 | 108.4 | A4 V18 L21 A22 W31 V67 K68 | A4-I33 HydrophobicContact CB-CG1 4.21Å; A4-I33 WeakPolarHBondContact O-CA 3.04Å; V18-I33 HydrophobicContact CG1-CG2 4.07Å; L21-I33 VanDerWaalsContact C-CD1 3.46Å; L21-I33 HydrophobicContact CB-CD1 4.12Å; L21-I33 HydrophobicContact CB-CG2 4.27Å; L21-I33 WeakPolarHBondContact O-CD1 3.17Å; A22-I33 HydrophobicContact CB-CD1 4.02Å; W31-I33 HydrophobicContact CB-CG1 4.45Å; I33-V67 HydrophobicContact CB-CG1 4.37Å; I33-V67 HydrophobicContact CG2-CG1 4.37Å; I33-K68 PolarHBondContact O-N 2.9Å |
| 34 | Y | 97.7 | Very high | 79.9 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 5% | 0.051 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.2 | -178.9 | -78.9 | -96.7 | 0 | 0 | 0 | 111.8 | L3 A4 F5 V6 D32 K68 H70 F86 Y91 | L3-Y34 HydrophobicContact CD1-CD2 3.43Å; L3-Y34 VanDerWaalsContact CD1-CD2 3.43Å; L3-Y34 HydrophobicContact CD1-CE2 3.76Å; L3-Y34 HydrophobicContact CD1-CG 4.47Å; A4-Y34 PolarHBondContact O-N 3.35Å; F5-Y34 WeakPolarHBondContact CA-O 3.4Å; V6-Y34 PolarHBondContact N-O 3.18Å; V6-Y34 VanDerWaalsContact N-O 3.11Å; D32-Y34 HydrophobicContact CB-CE2 4Å; Y34-K68 WeakPolarHBondContact CA-O 3.28Å; Y34-K68 HydrophobicContact CD1-CB 3.83Å; Y34-K68 HydrophobicContact CD2-CB 4.42Å; Y34-K68 HydrophobicContact CE1-CB 3.52Å; Y34-K68 HydrophobicContact CE1-CD 4.25Å; Y34-K68 HydrophobicContact CE2-CB 4.13Å; Y34-K68 HydrophobicContact CE2-CD 3.93Å; Y34-K68 HydrophobicContact CG-CB 4.28Å; Y34-K68 WeakPolarHBondContact OH-CD 3.25Å; Y34-H70 HydrophobicContact CD1-CB 3.68Å; Y34-H70 HydrophobicContact CE1-CB 4.02Å; Y34-F86 AromaticContact CE1-CE1 3.91Å; Y34-F86 HydrophobicContact CE1-CE1 3.91Å; Y34-F86 HydrophobicContact CE1-CZ 4.08Å; Y34-F86 HydrophobicContact CE2-CE1 4.4Å; Y34-F86 AromaticContact CZ-CE1 3.74Å; Y34-F86 AromaticContact CZ-CZ 3.74Å; Y34-F86 WeakPolarHBondContact OH-CZ 3.5Å; Y34-Y91 HydrophobicContact CE2-CE2 4.15Å; Y34-Y91 AromaticContact CE2-CZ 3.82Å; Y34-Y91 WeakPolarHBondContact CE2-OH 3.25Å; Y34-Y91 PolarHBondContact OH-OH 3.41Å |
| 35 | L | 95 | Very high | 77 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.4 | 154.9 | -179.4 | 145.7 | 0 | 0 | 0 | 108.4 | S9 N10 F15 V18 A56 K68 F69 H70 | S9-L35 WeakPolarHBondContact O-CD1 3.02Å; S9-L35 WeakPolarHBondContact O-CG 3.23Å; S9-L35 VanDerWaalsContact OG-CA 3.28Å; S9-L35 WeakPolarHBondContact OG-CA 3.44Å; S9-L35 WeakPolarHBondContact OG-CG 3.35Å; N10-L35 HydrophobicContact CB-CD2 4.11Å; F15-L35 HydrophobicContact CD2-CD1 4.09Å; V18-L35 HydrophobicContact CG1-CB 4.31Å; V18-L35 HydrophobicContact CG2-CB 4.26Å; L35-A56 HydrophobicContact CD1-CB 3.48Å; L35-A56 VanDerWaalsContact CD1-CB 3.48Å; L35-A56 HydrophobicContact CD2-CB 4.13Å; L35-A56 HydrophobicContact CG-CB 4.47Å; L35-K68 PolarHBondContact N-O 3.42Å; L35-F69 HydrophobicContact CD2-CD2 3.53Å; L35-F69 HydrophobicContact CD2-CE2 4.04Å; L35-F69 WeakPolarHBondContact O-CA 3.13Å; L35-F69 WeakPolarHBondContact O-CD2 3.45Å; L35-H70 PolarHBondContact O-N 2.86Å; L35-H70 VanDerWaalsContact O-N 3.12Å |
| 36 | T | 92.6 | Very high | 74.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151 | 178.4 | 83.4 | 0 | 0 | 0 | 0 | 112 | F5 V6 T7 G8 S9 H70 L72 F83 | F5-T36 HydrophobicContact CB-CG2 4.39Å; V6-T36 PolarHBondContact O-N 2.76Å; V6-T36 PolarHBondContact O-OG1 3.14Å; V6-T36 VanDerWaalsContact O-OG1 3.12Å; T7-T36 WeakPolarHBondContact CA-OG1 3.33Å; G8-T36 CarbonylContact C-O 3.48Å; G8-T36 WeakPolarHBondContact CA-O 3.19Å; G8-T36 PolarHBondContact N-O 3.33Å; S9-T36 PolarHBondContact N-O 2.87Å; S9-T36 PolarHBondContact OG-N 3.18Å; S9-T36 PolarHBondContact OG-O 2.92Å; T36-H70 VanDerWaalsContact CA-O 3.28Å; T36-H70 WeakPolarHBondContact CA-O 3.34Å; T36-H70 VanDerWaalsContact CB-O 3.3Å; T36-H70 WeakPolarHBondContact CB-O 3.19Å; T36-L72 HydrophobicContact CG2-CB 4.35Å; T36-L72 HydrophobicContact CG2-CD2 4.32Å; T36-F83 HydrophobicContact CG2-CE2 4.15Å |
| 37 | G | 86.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 155.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q71 L72 | G37-Q71 WeakPolarHBondContact O-CA 3.39Å; G37-L72 CarbonylContact C-O 3.6Å; G37-L72 VanDerWaalsContact C-O 3.32Å; G37-L72 CarbonylContact O-C 3.58Å; G37-L72 PolarHBondContact O-N 3.48Å |
| 38 | E | 79 | Confident | 70.6 | Confident | 85 Ų | 85 | 67.7 Ų | 67.7 | 40% | 0.397 | 36% | 0.355 | S | S | . | . | trans | -63.9 | 171.1 | 178.2 | 63.3 | -171.2 | -168.2 | 0 | 0 | 111.8 | N49 L72 D73 | E38-N49 WeakPolarHBondContact CG-ND2 3.36Å; E38-N49 WeakPolarHBondContact O-CB 3.3Å; E38-N49 PolarHBondContact O-OD1 3.04Å; E38-N49 PolarHBondContact OE1-ND2 3.44Å; E38-L72 PolarHBondContact N-O 3.02Å; E38-D73 HydrophobicContact CB-CB 3.7Å | ||
| 39 | E | 66.8 | Low | 69.5 | Low | 76 Ų | 76 | 65 Ų | 65 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | trans | -108.2 | 111.4 | 167.2 | -176.2 | 174.8 | -178.1 | 0 | 0 | 107.4 | T46 Q71 | E39-T46 WeakPolarHBondContact OE1-CB 3.43Å; E39-T46 WeakPolarHBondContact OE1-CG2 3.41Å; E39-Q71 HydrophobicContact CB-CG 3.87Å | ||
| 40 | F | 49.7 | Very low | 68.9 | Low | 107 Ų | 107 | 64.2 Ų | 64.2 | 47% | 0.469 | 32% | 0.319 | S | S | . | . | trans | -93.3 | 110 | 179.2 | -161.6 | -116.5 | 0 | 0 | 0 | 110.2 | V42 N49 | F40-V42 HydrophobicContact CD1-CG2 3.16Å; F40-V42 HydrophobicContact CE1-CG2 3.05Å; F40-V42 HydrophobicContact CG-CG2 4.32Å; F40-V42 HydrophobicContact CZ-CG2 4.14Å; F40-V42 PolarHBondContact O-N 3.46Å; F40-N49 HydrophobicContact CB-CB 4.27Å | ||
| 41 | L | 38.1 | Very low | 68.3 | Low | 114 Ų | 114 | 63.6 Ų | 63.6 | 60% | 0.597 | 32% | 0.316 | S | S | * | . | trans | -75.2 | 110.8 | 169.9 | -75.9 | 173.5 | 0 | 0 | 0 | 109.6 | T46 | L41-T46 HydrophobicContact CD2-CG2 3.42Å; L41-T46 VanDerWaalsContact CD2-CG2 3.42Å | ||
| 42 | V | 39 | Very low | 67.7 | Low | 32 Ų | 32 | 65.4 Ų | 65.4 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -115.1 | 119.6 | 164.7 | 173.7 | 0 | 0 | 0 | 0 | 108.9 | F40 N44 L45 R48 | F40-V42 HydrophobicContact CD1-CG2 3.16Å; F40-V42 HydrophobicContact CE1-CG2 3.05Å; F40-V42 HydrophobicContact CG-CG2 4.32Å; F40-V42 HydrophobicContact CZ-CG2 4.14Å; F40-V42 PolarHBondContact O-N 3.46Å; V42-N44 VanDerWaalsContact C-N 3.34Å; V42-N44 PolarHBondContact O-N 3.1Å; V42-L45 PolarHBondContact N-O 2.91Å; V42-L45 PolarHBondContact O-N 3.36Å; V42-R48 VanDerWaalsContact CG1-NH2 3.31Å |
| 43 | H | 45.6 | Very low | 67.2 | Low | 179 Ų | 179 | 64.3 Ų | 64.3 | 83% | 0.829 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 54.9 | 174.6 | -60.5 | -59.5 | 0 | 0 | 0 | 113.1 | L45 | H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 3.42Å |
| 44 | N | 41.9 | Very low | 66.7 | Low | 159 Ų | 159 | 69.7 Ų | 69.7 | 85% | 0.85 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 21.6 | 177.8 | -61.3 | -28 | 0 | 0 | 0 | 116.2 | V42 | V42-N44 VanDerWaalsContact C-N 3.34Å; V42-N44 PolarHBondContact O-N 3.1Å |
| 45 | L | 35.7 | Very low | 66.5 | Low | 123 Ų | 123 | 73.1 Ų | 73.1 | 64% | 0.644 | 36% | 0.364 | S | S | * | . | B | Isolated β-bridge | trans | -117.9 | 116 | 168.1 | -63 | 171 | 0 | 0 | 0 | 109.4 | V42 H43 A47 | V42-L45 PolarHBondContact N-O 2.91Å; V42-L45 PolarHBondContact O-N 3.36Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 3.42Å; L45-A47 PolarHBondContact O-N 3.21Å |
| 46 | T | 43.9 | Very low | 66.4 | Low | 77 Ų | 77 | 73.1 Ų | 73.1 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | trans | -71.2 | 5.9 | 178.9 | 40.9 | 0 | 0 | 0 | 0 | 114.4 | E39 L41 | E39-T46 WeakPolarHBondContact OE1-CB 3.43Å; E39-T46 WeakPolarHBondContact OE1-CG2 3.41Å; L41-T46 HydrophobicContact CD2-CG2 3.42Å; L41-T46 VanDerWaalsContact CD2-CG2 3.42Å | ||
| 47 | A | 45.3 | Very low | 66.4 | Low | 34 Ų | 34 | 74.8 Ų | 74.8 | 28% | 0.281 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -84.7 | -38.1 | -154.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L45 N49 V50 E51 | L45-A47 PolarHBondContact O-N 3.21Å; A47-N49 PolarHBondContact O-N 3.37Å; A47-N49 VanDerWaalsContact O-N 3.11Å; A47-V50 PolarHBondContact O-N 2.81Å; A47-E51 WeakPolarHBondContact CB-OE1 3.49Å; A47-E51 WeakPolarHBondContact O-CB 3.16Å; A47-E51 WeakPolarHBondContact O-CG 3.43Å; A47-E51 PolarHBondContact O-N 2.75Å |
| 48 | R | 53.4 | Low | 66.9 | Low | 135 Ų | 135 | 80.5 Ų | 80.5 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -35.6 | -157.7 | -71.3 | -156.4 | -85.4 | 169.6 | -12.7 | 115.3 | V42 L52 | V42-R48 VanDerWaalsContact CG1-NH2 3.31Å; R48-L52 VanDerWaalsContact O-CG 3.27Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 2.72Å; R48-L52 VanDerWaalsContact O-N 3.15Å |
| 49 | N | 67.5 | Low | 67.7 | Low | 9 Ų | 9 | 81.9 Ų | 81.9 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -95.2 | -28.8 | -172.9 | -155 | -34 | 0 | 0 | 0 | 113.1 | N10 E38 F40 A47 E51 L52 G53 | N10-N49 PolarHBondContact ND2-OD1 3.34Å; E38-N49 WeakPolarHBondContact CG-ND2 3.36Å; E38-N49 WeakPolarHBondContact O-CB 3.3Å; E38-N49 PolarHBondContact O-OD1 3.04Å; E38-N49 PolarHBondContact OE1-ND2 3.44Å; F40-N49 HydrophobicContact CB-CB 4.27Å; A47-N49 PolarHBondContact O-N 3.37Å; A47-N49 VanDerWaalsContact O-N 3.11Å; N49-E51 VanDerWaalsContact C-N 3.28Å; N49-E51 PolarHBondContact O-N 2.92Å; N49-L52 PolarHBondContact O-N 2.88Å; N49-G53 PolarHBondContact O-N 2.9Å |
| 50 | V | 78.7 | Confident | 69.1 | Low | 40 Ų | 40 | 78.2 Ų | 78.2 | 24% | 0.242 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 164.8 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | A47 G53 Q54 F69 | A47-V50 PolarHBondContact O-N 2.81Å; V50-G53 PolarHBondContact O-N 3.04Å; V50-Q54 VanDerWaalsContact O-CG 3.3Å; V50-Q54 WeakPolarHBondContact O-CG 3.44Å; V50-Q54 PolarHBondContact O-N 3.21Å; V50-F69 HydrophobicContact CB-CE1 4.39Å; V50-F69 HydrophobicContact CG1-CE1 4.14Å; V50-F69 HydrophobicContact CG2-CE1 4.38Å |
| 51 | E | 85.3 | Confident | 71.3 | Confident | 93 Ų | 93 | 75.9 Ų | 75.9 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 172.5 | -73.4 | 168.9 | 174.7 | 0 | 0 | 111.6 | A47 N49 G53 Q54 E55 | A47-E51 WeakPolarHBondContact CB-OE1 3.49Å; A47-E51 WeakPolarHBondContact O-CB 3.16Å; A47-E51 WeakPolarHBondContact O-CG 3.43Å; A47-E51 PolarHBondContact O-N 2.75Å; N49-E51 VanDerWaalsContact C-N 3.28Å; N49-E51 PolarHBondContact O-N 2.92Å; E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 2.92Å; E51-Q54 PolarHBondContact O-N 3.33Å; E51-Q54 VanDerWaalsContact O-N 3.09Å; E51-E55 WeakPolarHBondContact O-CG 3.2Å; E51-E55 PolarHBondContact O-N 2.98Å |
| 52 | L | 84.8 | Confident | 74.1 | Confident | 70 Ų | 70 | 76.4 Ų | 76.4 | 37% | 0.366 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.5 | -38.2 | 175.7 | -73.3 | 172 | 0 | 0 | 0 | 112.8 | N10 R48 N49 A56 | N10-L52 HydrophobicContact CB-CB 4.48Å; R48-L52 VanDerWaalsContact O-CG 3.27Å; R48-L52 WeakPolarHBondContact O-CG 3.49Å; R48-L52 PolarHBondContact O-N 2.72Å; R48-L52 VanDerWaalsContact O-N 3.15Å; N49-L52 PolarHBondContact O-N 2.88Å; L52-A56 WeakPolarHBondContact O-CB 3.34Å; L52-A56 PolarHBondContact O-N 3.38Å |
| 53 | G | 85.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N49 V50 E51 A56 V57 | N49-G53 PolarHBondContact O-N 2.9Å; V50-G53 PolarHBondContact O-N 3.04Å; E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 2.92Å; G53-A56 PolarHBondContact O-N 2.8Å; G53-V57 WeakPolarHBondContact O-CG2 3.5Å; G53-V57 PolarHBondContact O-N 2.91Å |
| 54 | Q | 88.8 | Confident | 79.2 | Confident | 116 Ų | 116 | 74.2 Ų | 74.2 | 54% | 0.542 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 176.6 | -72.2 | 173.7 | -9.1 | 0 | 0 | 112.1 | V50 E51 A56 V57 E58 | V50-Q54 VanDerWaalsContact O-CG 3.3Å; V50-Q54 WeakPolarHBondContact O-CG 3.44Å; V50-Q54 PolarHBondContact O-N 3.21Å; E51-Q54 PolarHBondContact O-N 3.33Å; E51-Q54 VanDerWaalsContact O-N 3.09Å; Q54-A56 VanDerWaalsContact C-N 3.27Å; Q54-A56 PolarHBondContact O-N 3.09Å; Q54-V57 PolarHBondContact O-N 3.29Å; Q54-E58 PolarHBondContact O-N 2.75Å |
| 55 | E | 92.5 | Very high | 81.8 | Confident | 86 Ų | 86 | 67.8 Ų | 67.8 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 173.5 | -74.3 | -178.6 | -167.8 | 0 | 0 | 111.6 | E51 E58 K59 | E51-E55 WeakPolarHBondContact O-CG 3.2Å; E51-E55 PolarHBondContact O-N 2.98Å; E55-E58 PolarHBondContact O-N 2.94Å; E55-K59 WeakPolarHBondContact O-CB 3.36Å; E55-K59 VanDerWaalsContact O-CG 3.27Å; E55-K59 WeakPolarHBondContact O-CG 3.43Å; E55-K59 PolarHBondContact O-N 2.83Å |
| 56 | A | 92.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | F15 L35 L52 G53 Q54 E58 K59 L60 | F15-A56 HydrophobicContact CD2-CB 3.91Å; F15-A56 HydrophobicContact CE2-CB 3.89Å; L35-A56 HydrophobicContact CD1-CB 3.48Å; L35-A56 VanDerWaalsContact CD1-CB 3.48Å; L35-A56 HydrophobicContact CD2-CB 4.13Å; L35-A56 HydrophobicContact CG-CB 4.47Å; L52-A56 WeakPolarHBondContact O-CB 3.34Å; L52-A56 PolarHBondContact O-N 3.38Å; G53-A56 PolarHBondContact O-N 2.8Å; Q54-A56 VanDerWaalsContact C-N 3.27Å; Q54-A56 PolarHBondContact O-N 3.09Å; A56-E58 VanDerWaalsContact C-N 3.33Å; A56-E58 PolarHBondContact O-N 3.28Å; A56-K59 PolarHBondContact O-N 3.23Å; A56-L60 PolarHBondContact O-N 3.47Å |
| 57 | V | 94.2 | Very high | 87.1 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 171.8 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | G53 Q54 L60 S61 V67 F69 | G53-V57 WeakPolarHBondContact O-CG2 3.5Å; G53-V57 PolarHBondContact O-N 2.91Å; Q54-V57 PolarHBondContact O-N 3.29Å; V57-L60 PolarHBondContact O-N 3.43Å; V57-S61 WeakPolarHBondContact O-CB 3.36Å; V57-S61 PolarHBondContact O-N 3.43Å; V57-V67 HydrophobicContact CB-CG2 4.45Å; V57-V67 HydrophobicContact CG1-CG2 4.4Å; V57-V67 HydrophobicContact CG2-CG2 4.16Å; V57-F69 HydrophobicContact CG2-CB 3.71Å |
| 58 | E | 95.6 | Very high | 89.5 | Confident | 120 Ų | 120 | 70.5 Ų | 70.5 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 178.6 | -172.2 | 177.9 | -174.1 | 0 | 0 | 112 | Q54 E55 A56 L60 S61 N62 | Q54-E58 PolarHBondContact O-N 2.75Å; E55-E58 PolarHBondContact O-N 2.94Å; A56-E58 VanDerWaalsContact C-N 3.33Å; A56-E58 PolarHBondContact O-N 3.28Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 PolarHBondContact O-N 2.68Å; E58-S61 PolarHBondContact O-N 3.3Å; E58-N62 WeakPolarHBondContact O-CB 3.45Å; E58-N62 VanDerWaalsContact O-CG 3.26Å; E58-N62 PolarHBondContact O-N 3.08Å; E58-N62 PolarHBondContact O-ND2 3.38Å |
| 59 | K | 97 | Very high | 91.5 | Very high | 114 Ų | 114 | 66.2 Ų | 66.2 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 175.2 | -75.9 | 167.5 | -172.6 | 162.9 | 0 | 112.3 | F15 E55 A56 | F15-K59 HydrophobicContact CE2-CB 4.3Å; F15-K59 HydrophobicContact CZ-CB 4.04Å; E55-K59 WeakPolarHBondContact O-CB 3.36Å; E55-K59 VanDerWaalsContact O-CG 3.27Å; E55-K59 WeakPolarHBondContact O-CG 3.43Å; E55-K59 PolarHBondContact O-N 2.83Å; A56-K59 PolarHBondContact O-N 3.23Å |
| 60 | L | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -76.4 | -39.7 | 177.7 | -69.8 | 169.4 | 0 | 0 | 0 | 111.9 | F15 V18 E19 A56 V57 E58 N62 K63 G64 L65 V67 | F15-L60 HydrophobicContact CD2-CD1 4.43Å; F15-L60 HydrophobicContact CE1-CD2 4.14Å; F15-L60 HydrophobicContact CE2-CD1 3.87Å; F15-L60 HydrophobicContact CE2-CD2 4.25Å; F15-L60 HydrophobicContact CE2-CG 3.76Å; F15-L60 HydrophobicContact CZ-CD1 4.18Å; F15-L60 HydrophobicContact CZ-CD2 3.69Å; F15-L60 HydrophobicContact CZ-CG 3.64Å; V18-L60 HydrophobicContact CG1-CD1 3.71Å; E19-L60 HydrophobicContact CB-CD2 3.71Å; E19-L60 HydrophobicContact CG-CD2 3.71Å; A56-L60 PolarHBondContact O-N 3.47Å; V57-L60 PolarHBondContact O-N 3.43Å; E58-L60 VanDerWaalsContact C-N 3.28Å; E58-L60 PolarHBondContact O-N 2.68Å; L60-N62 VanDerWaalsContact C-N 3.28Å; L60-N62 PolarHBondContact O-N 3.18Å; L60-K63 CarbonylContact O-C 3.41Å; L60-K63 WeakPolarHBondContact O-CA 3.25Å; L60-K63 WeakPolarHBondContact O-CB 3.23Å; L60-K63 PolarHBondContact O-N 3.29Å; L60-G64 PolarHBondContact O-N 3.06Å; L60-L65 CarbonylContact C-O 3.55Å; L60-L65 VanDerWaalsContact C-O 3.24Å; L60-L65 HydrophobicContact CB-CB 4.22Å; L60-L65 HydrophobicContact CD2-CD1 4.02Å; L60-L65 WeakPolarHBondContact O-CB 3.04Å; L60-L65 PolarHBondContact O-N 3.25Å; L60-V67 HydrophobicContact CB-CG2 3.89Å; L60-V67 HydrophobicContact CD1-CB 4.42Å; L60-V67 HydrophobicContact CD1-CG1 4.14Å; L60-V67 HydrophobicContact CD1-CG2 3.53Å; L60-V67 HydrophobicContact CG-CG2 4.35Å |
| 61 | S | 95.2 | Very high | 93.5 | Very high | 58 Ų | 58 | 67.4 Ų | 67.4 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | V57 E58 K63 G64 L65 | V57-S61 WeakPolarHBondContact O-CB 3.36Å; V57-S61 PolarHBondContact O-N 3.43Å; E58-S61 PolarHBondContact O-N 3.3Å; S61-K63 PolarHBondContact O-N 2.9Å; S61-G64 WeakPolarHBondContact O-CA 3.4Å; S61-G64 PolarHBondContact O-N 2.64Å; S61-L65 PolarHBondContact N-O 3.16Å |
| 62 | N | 96.7 | Very high | 94 | Very high | 125 Ų | 125 | 63.2 Ų | 63.2 | 67% | 0.668 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.4 | 175.1 | -72.8 | -26.2 | 0 | 0 | 0 | 113.6 | E58 L60 | E58-N62 WeakPolarHBondContact O-CB 3.45Å; E58-N62 VanDerWaalsContact O-CG 3.26Å; E58-N62 PolarHBondContact O-N 3.08Å; E58-N62 PolarHBondContact O-ND2 3.38Å; L60-N62 VanDerWaalsContact C-N 3.28Å; L60-N62 PolarHBondContact O-N 3.18Å |
| 63 | K | 96.2 | Very high | 94.4 | Very high | 116 Ų | 116 | 61.2 Ų | 61.2 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.6 | 170.9 | -61.9 | 178.3 | 178.5 | -176.5 | 0 | 113 | E19 L60 S61 L65 | E19-K63 WeakPolarHBondContact OE1-CD 3.2Å; E19-K63 WeakPolarHBondContact OE1-CE 3.43Å; E19-K63 IonicContact OE1-NZ 2.7Å; E19-K63 PolarHBondContact OE1-NZ 3.32Å; E19-K63 IonicContact OE2-NZ 3.9Å; E19-K63 PolarHBondContact OE2-NZ 3.18Å; L60-K63 CarbonylContact O-C 3.41Å; L60-K63 WeakPolarHBondContact O-CA 3.25Å; L60-K63 WeakPolarHBondContact O-CB 3.23Å; L60-K63 PolarHBondContact O-N 3.29Å; S61-K63 PolarHBondContact O-N 2.9Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 HydrophobicContact CB-CD1 4.25Å; K63-L65 HydrophobicContact CB-CG 4.21Å |
| 64 | G | 95.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 15.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L60 S61 | L60-G64 PolarHBondContact O-N 3.06Å; S61-G64 WeakPolarHBondContact O-CA 3.4Å; S61-G64 PolarHBondContact O-N 2.64Å |
| 65 | L | 96.7 | Very high | 95.2 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.12 | 29% | 0.293 | C | S | . | . | trans | -101.5 | 113.4 | -178.6 | -58.9 | 176.4 | 0 | 0 | 0 | 110.1 | E19 A22 E23 L60 S61 K63 V67 | E19-L65 HydrophobicContact CG-CD1 3.77Å; A22-L65 HydrophobicContact CB-CB 4.04Å; A22-L65 HydrophobicContact CB-CD1 4.4Å; A22-L65 HydrophobicContact CB-CD2 4.29Å; A22-L65 HydrophobicContact CB-CG 4.48Å; E23-L65 HydrophobicContact CG-CD1 3.84Å; E23-L65 HydrophobicContact CG-CD2 3.87Å; L60-L65 CarbonylContact C-O 3.55Å; L60-L65 VanDerWaalsContact C-O 3.24Å; L60-L65 HydrophobicContact CB-CB 4.22Å; L60-L65 HydrophobicContact CD2-CD1 4.02Å; L60-L65 WeakPolarHBondContact O-CB 3.04Å; L60-L65 PolarHBondContact O-N 3.25Å; S61-L65 PolarHBondContact N-O 3.16Å; K63-L65 VanDerWaalsContact C-N 3.31Å; K63-L65 HydrophobicContact CB-CD1 4.25Å; K63-L65 HydrophobicContact CB-CG 4.21Å; L65-V67 PolarHBondContact O-N 3.31Å | ||
| 66 | Y | 94.1 | Very high | 95.4 | Very high | 195 Ų | 195 | 57.4 Ų | 57.4 | 77% | 0.765 | 29% | 0.29 | S | S | * | . | trans | -86.4 | 109 | 179.4 | -62.5 | -79.6 | 0 | 0 | 0 | 110.6 | ||||
| 67 | V | 96.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 63.8 Ų | 63.8 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | trans | -126.1 | 161.3 | 173.9 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | V18 A22 I33 V57 L60 L65 | V18-V67 HydrophobicContact CG1-CB 4.25Å; V18-V67 HydrophobicContact CG1-CG1 3.75Å; A22-V67 HydrophobicContact CB-CG1 3.65Å; I33-V67 HydrophobicContact CB-CG1 4.37Å; I33-V67 HydrophobicContact CG2-CG1 4.37Å; V57-V67 HydrophobicContact CB-CG2 4.45Å; V57-V67 HydrophobicContact CG1-CG2 4.4Å; V57-V67 HydrophobicContact CG2-CG2 4.16Å; L60-V67 HydrophobicContact CB-CG2 3.89Å; L60-V67 HydrophobicContact CD1-CB 4.42Å; L60-V67 HydrophobicContact CD1-CG1 4.14Å; L60-V67 HydrophobicContact CD1-CG2 3.53Å; L60-V67 HydrophobicContact CG-CG2 4.35Å; L65-V67 PolarHBondContact O-N 3.31Å | ||
| 68 | K | 96 | Very high | 95.6 | Very high | 83 Ų | 83 | 67.7 Ų | 67.7 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 151.4 | 179.1 | -60.6 | -178.8 | -174.5 | 177.5 | 0 | 109.9 | D32 I33 Y34 L35 | D32-K68 HydrophobicContact CB-CD 4.42Å; D32-K68 WeakPolarHBondContact OD1-CE 3.48Å; D32-K68 IonicContact OD1-NZ 3.74Å; D32-K68 PolarHBondContact OD1-NZ 3.35Å; D32-K68 IonicContact OD2-NZ 2.74Å; D32-K68 PolarHBondContact OD2-NZ 2.96Å; I33-K68 PolarHBondContact O-N 2.9Å; Y34-K68 WeakPolarHBondContact CA-O 3.28Å; Y34-K68 HydrophobicContact CD1-CB 3.83Å; Y34-K68 HydrophobicContact CD2-CB 4.42Å; Y34-K68 HydrophobicContact CE1-CB 3.52Å; Y34-K68 HydrophobicContact CE1-CD 4.25Å; Y34-K68 HydrophobicContact CE2-CB 4.13Å; Y34-K68 HydrophobicContact CE2-CD 3.93Å; Y34-K68 HydrophobicContact CG-CB 4.28Å; Y34-K68 WeakPolarHBondContact OH-CD 3.25Å; L35-K68 PolarHBondContact N-O 3.42Å |
| 69 | F | 95.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 20% | 0.197 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.8 | 171 | 176.2 | -113.1 | 0 | 0 | 0 | 110.4 | L35 V50 V57 Q71 | L35-F69 HydrophobicContact CD2-CD2 3.53Å; L35-F69 HydrophobicContact CD2-CE2 4.04Å; L35-F69 WeakPolarHBondContact O-CA 3.13Å; L35-F69 WeakPolarHBondContact O-CD2 3.45Å; V50-F69 HydrophobicContact CB-CE1 4.39Å; V50-F69 HydrophobicContact CG1-CE1 4.14Å; V50-F69 HydrophobicContact CG2-CE1 4.38Å; V57-F69 HydrophobicContact CG2-CB 3.71Å; F69-Q71 HydrophobicContact CZ-CB 4.46Å |
| 70 | H | 94.8 | Very high | 95.6 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136 | 161.5 | -163.4 | -64.4 | 0 | 0 | 0 | 109.5 | Y34 L35 T36 L72 F83 F86 | Y34-H70 HydrophobicContact CD1-CB 3.68Å; Y34-H70 HydrophobicContact CE1-CB 4.02Å; L35-H70 PolarHBondContact O-N 2.86Å; L35-H70 VanDerWaalsContact O-N 3.12Å; T36-H70 VanDerWaalsContact CA-O 3.28Å; T36-H70 WeakPolarHBondContact CA-O 3.34Å; T36-H70 VanDerWaalsContact CB-O 3.3Å; T36-H70 WeakPolarHBondContact CB-O 3.19Å; H70-L72 PolarHBondContact O-N 3.08Å; H70-F83 HydrophobicContact CB-CD2 4.04Å; H70-F83 HydrophobicContact CB-CE2 4.09Å; H70-F83 AromaticContact CE1-CD2 3.99Å; H70-F83 AromaticContact CG-CD2 3.68Å; H70-F83 AromaticContact ND1-CD2 3.54Å; H70-F86 AromaticContact CD2-CD1 3.38Å; H70-F86 WeakPolarHBondContact CD2-CD1 3.09Å; H70-F86 AromaticContact CD2-CD2 3.98Å; H70-F86 AromaticContact CD2-CE1 3.81Å; H70-F86 AromaticContact CD2-CG 3.51Å; H70-F86 WeakPolarHBondContact NE2-CB 3.36Å; H70-F86 AromaticContact NE2-CD1 3.63Å; H70-F86 AromaticContact NE2-CD2 3.91Å; H70-F86 AromaticContact NE2-CG 3.33Å; H70-F86 VanDerWaalsContact NE2-CG 3.33Å; H70-F86 WeakPolarHBondContact NE2-CG 3.14Å |
| 71 | Q | 93.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 129.6 | 173.5 | -170.5 | -76.9 | -24.3 | 0 | 0 | 109.6 | G37 E39 F69 S79 | G37-Q71 WeakPolarHBondContact O-CA 3.39Å; E39-Q71 HydrophobicContact CB-CG 3.87Å; F69-Q71 HydrophobicContact CZ-CB 4.46Å; Q71-S79 VanDerWaalsContact CD-OG 3.26Å; Q71-S79 PolarHBondContact NE2-OG 2.94Å; Q71-S79 VanDerWaalsContact NE2-OG 3.12Å; Q71-S79 PolarHBondContact OE1-OG 3.47Å |
| 72 | L | 94.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | trans | -155.4 | 100 | 176 | 176.5 | 59.3 | 0 | 0 | 0 | 108.7 | T7 T36 G37 E38 H70 I74 S79 R80 F83 F132 | T7-L72 HydrophobicContact CG2-CD2 3.96Å; T36-L72 HydrophobicContact CG2-CB 4.35Å; T36-L72 HydrophobicContact CG2-CD2 4.32Å; G37-L72 CarbonylContact C-O 3.6Å; G37-L72 VanDerWaalsContact C-O 3.32Å; G37-L72 CarbonylContact O-C 3.58Å; G37-L72 PolarHBondContact O-N 3.48Å; E38-L72 PolarHBondContact N-O 3.02Å; H70-L72 PolarHBondContact O-N 3.08Å; L72-I74 HydrophobicContact CD2-CG2 4.48Å; L72-I74 HydrophobicContact CG-CG2 4.22Å; L72-S79 WeakPolarHBondContact CA-OG 3.39Å; L72-R80 HydrophobicContact CD1-CB 4.5Å; L72-R80 HydrophobicContact CD1-CG 4.18Å; L72-F83 HydrophobicContact CD1-CB 3.88Å; L72-F83 HydrophobicContact CD1-CD1 4.34Å; L72-F83 HydrophobicContact CD1-CG 4.16Å; L72-F83 HydrophobicContact CD2-CD1 3.98Å; L72-F83 HydrophobicContact CD2-CD2 4.46Å; L72-F83 HydrophobicContact CD2-CE1 4.16Å; L72-F83 HydrophobicContact CD2-CG 4.13Å; L72-F83 HydrophobicContact CD2-CZ 4.49Å; L72-F132 HydrophobicContact CD1-CE2 4.06Å; L72-F132 HydrophobicContact CD1-CZ 4.01Å; L72-F132 HydrophobicContact CD2-CE1 3.66Å; L72-F132 HydrophobicContact CD2-CE2 4.36Å; L72-F132 HydrophobicContact CD2-CZ 3.48Å; L72-F132 VanDerWaalsContact CD2-CZ 3.48Å; L72-F132 HydrophobicContact CG-CZ 4.36Å | ||
| 73 | D | 94.7 | Very high | 95.8 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -90.4 | 110.9 | 161 | -176.5 | -9.9 | 0 | 0 | 0 | 107.8 | E38 T75 D76 S79 | E38-D73 HydrophobicContact CB-CB 3.7Å; D73-T75 VanDerWaalsContact CG-OG1 3.31Å; D73-T75 PolarHBondContact O-N 2.97Å; D73-T75 WeakPolarHBondContact OD1-CA 3.39Å; D73-T75 WeakPolarHBondContact OD1-CB 3.37Å; D73-T75 PolarHBondContact OD1-N 2.96Å; D73-T75 PolarHBondContact OD1-OG1 3.24Å; D73-T75 PolarHBondContact OD2-OG1 3.36Å; D73-D76 HydrophobicContact CB-CB 4.18Å; D73-D76 PolarHBondContact O-N 3.05Å; D73-S79 PolarHBondContact N-OG 3.43Å | ||
| 74 | I | 95.4 | Very high | 95.9 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.7 | 178.8 | 58.2 | 164 | 0 | 0 | 0 | 112.2 | T7 L72 R80 A102 S128 T129 F132 | T7-I74 HydrophobicContact CG2-CG2 4.11Å; L72-I74 HydrophobicContact CD2-CG2 4.48Å; L72-I74 HydrophobicContact CG-CG2 4.22Å; I74-R80 VanDerWaalsContact O-CD 3.27Å; I74-R80 WeakPolarHBondContact O-CD 3.3Å; I74-R80 PolarHBondContact O-NH1 2.97Å; I74-A102 HydrophobicContact CD1-CB 3.8Å; I74-A102 HydrophobicContact CG1-CB 4.31Å; I74-S128 WeakPolarHBondContact O-CB 3.22Å; I74-T129 WeakPolarHBondContact CD1-OG1 3.4Å; I74-F132 HydrophobicContact CG2-CD1 3.9Å; I74-F132 HydrophobicContact CG2-CE1 4.38Å; I74-F132 HydrophobicContact CG2-CG 4.32Å |
| 75 | T | 96 | Very high | 96.1 | Very high | 54 Ų | 54 | 52.9 Ų | 52.9 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -14.9 | 179.9 | 72.9 | 0 | 0 | 0 | 0 | 113.4 | D73 T124 | D73-T75 VanDerWaalsContact CG-OG1 3.31Å; D73-T75 PolarHBondContact O-N 2.97Å; D73-T75 WeakPolarHBondContact OD1-CA 3.39Å; D73-T75 WeakPolarHBondContact OD1-CB 3.37Å; D73-T75 PolarHBondContact OD1-N 2.96Å; D73-T75 PolarHBondContact OD1-OG1 3.24Å; D73-T75 PolarHBondContact OD2-OG1 3.36Å; T75-T124 HydrophobicContact CG2-CG2 3.94Å |
| 76 | D | 95.5 | Very high | 96.2 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | trans | -101.1 | 114.1 | 174.4 | 175.1 | 15.5 | 0 | 0 | 0 | 111.2 | D73 N78 S79 R80 | D73-D76 HydrophobicContact CB-CB 4.18Å; D73-D76 PolarHBondContact O-N 3.05Å; D76-N78 PolarHBondContact O-N 2.86Å; D76-N78 WeakPolarHBondContact OD1-CB 3.45Å; D76-N78 PolarHBondContact OD1-N 3.31Å; D76-S79 WeakPolarHBondContact O-CB 3.36Å; D76-S79 PolarHBondContact O-N 3.48Å; D76-S79 VanDerWaalsContact O-N 3.13Å; D76-S79 PolarHBondContact OD2-N 2.92Å; D76-R80 WeakPolarHBondContact O-CG 3.36Å; D76-R80 PolarHBondContact O-N 2.9Å | ||
| 77 | Q | 95.9 | Very high | 96.4 | Very high | 134 Ų | 134 | 44.7 Ų | 44.7 | 63% | 0.626 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56 | -35.5 | 177.2 | -172.5 | -179.9 | 12 | 0 | 0 | 113.2 | K81 | Q77-K81 WeakPolarHBondContact O-CB 3.39Å; Q77-K81 PolarHBondContact O-N 2.9Å |
| 78 | N | 96.2 | Very high | 96.4 | Very high | 116 Ų | 116 | 50.1 Ų | 50.1 | 62% | 0.62 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -71.4 | -40.9 | 178.5 | -67.4 | -51.7 | 0 | 0 | 0 | 111.4 | D76 K81 A82 | D76-N78 PolarHBondContact O-N 2.86Å; D76-N78 WeakPolarHBondContact OD1-CB 3.45Å; D76-N78 PolarHBondContact OD1-N 3.31Å; N78-K81 PolarHBondContact O-N 2.89Å; N78-A82 WeakPolarHBondContact O-CB 3.47Å; N78-A82 PolarHBondContact O-N 3.46Å |
| 79 | S | 95.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | Q71 L72 D73 D76 K81 A82 F83 | Q71-S79 VanDerWaalsContact CD-OG 3.26Å; Q71-S79 PolarHBondContact NE2-OG 2.94Å; Q71-S79 VanDerWaalsContact NE2-OG 3.12Å; Q71-S79 PolarHBondContact OE1-OG 3.47Å; L72-S79 WeakPolarHBondContact CA-OG 3.39Å; D73-S79 PolarHBondContact N-OG 3.43Å; D76-S79 WeakPolarHBondContact O-CB 3.36Å; D76-S79 PolarHBondContact O-N 3.48Å; D76-S79 VanDerWaalsContact O-N 3.13Å; D76-S79 PolarHBondContact OD2-N 2.92Å; S79-K81 PolarHBondContact O-N 3.08Å; S79-A82 PolarHBondContact O-N 3.35Å; S79-F83 PolarHBondContact O-N 2.89Å |
| 80 | R | 97.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 5% | 0.053 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 174.1 | -62.5 | -164.5 | -53.3 | -97.2 | 8.8 | 112.1 | L72 I74 D76 A82 F83 L84 F132 E135 | L72-R80 HydrophobicContact CD1-CB 4.5Å; L72-R80 HydrophobicContact CD1-CG 4.18Å; I74-R80 VanDerWaalsContact O-CD 3.27Å; I74-R80 WeakPolarHBondContact O-CD 3.3Å; I74-R80 PolarHBondContact O-NH1 2.97Å; D76-R80 WeakPolarHBondContact O-CG 3.36Å; D76-R80 PolarHBondContact O-N 2.9Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 2.97Å; R80-F83 PolarHBondContact O-N 3.06Å; R80-L84 WeakPolarHBondContact O-CG 3.35Å; R80-L84 PolarHBondContact O-N 2.86Å; R80-F132 HydrophobicContact CB-CD2 3.97Å; R80-F132 HydrophobicContact CB-CE2 4.29Å; R80-F132 HydrophobicContact CG-CD2 3.85Å; R80-F132 HydrophobicContact CG-CE2 4.41Å; R80-F132 HydrophobicContact CG-CG 4.39Å; R80-E135 WeakPolarHBondContact CB-OE2 3.43Å; R80-E135 WeakPolarHBondContact CD-OE2 3.45Å; R80-E135 IonicContact CZ-OE1 2.66Å; R80-E135 IonicContact CZ-OE2 3.14Å; R80-E135 VanDerWaalsContact NE-CD 3.33Å; R80-E135 IonicContact NE-OE1 3.03Å; R80-E135 PolarHBondContact NE-OE1 2.99Å; R80-E135 VanDerWaalsContact NE-OE1 3.14Å; R80-E135 IonicContact NE-OE2 2.68Å; R80-E135 PolarHBondContact NE-OE2 3.3Å; R80-E135 IonicContact NH2-OE1 3.88Å; R80-E135 PolarHBondContact NH2-OE1 3.22Å; R80-E135 IonicContact NH2-OE2 2.68Å |
| 81 | K | 97.9 | Very high | 96.8 | Very high | 141 Ų | 141 | 56.6 Ų | 56.6 | 61% | 0.613 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.8 | -40.9 | 178.5 | -177.1 | 177.6 | 179.8 | 178.9 | 0 | 112.4 | Q77 N78 S79 L84 T85 | Q77-K81 WeakPolarHBondContact O-CB 3.39Å; Q77-K81 PolarHBondContact O-N 2.9Å; N78-K81 PolarHBondContact O-N 2.89Å; S79-K81 PolarHBondContact O-N 3.08Å; K81-L84 PolarHBondContact O-N 2.9Å; K81-T85 VanDerWaalsContact O-CB 3.31Å; K81-T85 WeakPolarHBondContact O-CB 3.44Å; K81-T85 PolarHBondContact O-N 3.34Å; K81-T85 PolarHBondContact O-OG1 3.03Å |
| 82 | A | 97.3 | Very high | 97 | Very high | 52 Ų | 52 | 60.3 Ų | 60.3 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N78 S79 R80 T85 F86 | N78-A82 WeakPolarHBondContact O-CB 3.47Å; N78-A82 PolarHBondContact O-N 3.46Å; S79-A82 PolarHBondContact O-N 3.35Å; R80-A82 VanDerWaalsContact C-N 3.32Å; R80-A82 PolarHBondContact O-N 2.97Å; A82-T85 PolarHBondContact O-N 3.43Å; A82-F86 WeakPolarHBondContact O-CB 3.43Å; A82-F86 PolarHBondContact O-N 3.31Å |
| 83 | F | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.5 | 178.4 | -102.2 | 0 | 0 | 0 | 112.3 | F5 T36 H70 L72 S79 R80 T85 F86 V87 F132 | F5-F83 HydrophobicContact CB-CZ 4.01Å; F5-F83 HydrophobicContact CD1-CE1 4.01Å; F5-F83 AromaticContact CD1-CZ 3.84Å; F5-F83 HydrophobicContact CD1-CZ 3.84Å; F5-F83 HydrophobicContact CD2-CE1 4.47Å; F5-F83 HydrophobicContact CD2-CZ 4.32Å; F5-F83 HydrophobicContact CE1-CE1 4.07Å; F5-F83 HydrophobicContact CE1-CZ 4.38Å; F5-F83 HydrophobicContact CG-CE1 4.21Å; F5-F83 AromaticContact CG-CZ 3.8Å; F5-F83 HydrophobicContact CG-CZ 3.8Å; F5-F83 HydrophobicContact CZ-CE1 4.37Å; T36-F83 HydrophobicContact CG2-CE2 4.15Å; H70-F83 HydrophobicContact CB-CD2 4.04Å; H70-F83 HydrophobicContact CB-CE2 4.09Å; H70-F83 AromaticContact CE1-CD2 3.99Å; H70-F83 AromaticContact CG-CD2 3.68Å; H70-F83 AromaticContact ND1-CD2 3.54Å; L72-F83 HydrophobicContact CD1-CB 3.88Å; L72-F83 HydrophobicContact CD1-CD1 4.34Å; L72-F83 HydrophobicContact CD1-CG 4.16Å; L72-F83 HydrophobicContact CD2-CD1 3.98Å; L72-F83 HydrophobicContact CD2-CD2 4.46Å; L72-F83 HydrophobicContact CD2-CE1 4.16Å; L72-F83 HydrophobicContact CD2-CG 4.13Å; L72-F83 HydrophobicContact CD2-CZ 4.49Å; S79-F83 PolarHBondContact O-N 2.89Å; R80-F83 PolarHBondContact O-N 3.06Å; F83-T85 PolarHBondContact O-N 2.78Å; F83-F86 VanDerWaalsContact O-CB 3.32Å; F83-F86 WeakPolarHBondContact O-CB 3.37Å; F83-F86 PolarHBondContact O-N 3.11Å; F83-F86 VanDerWaalsContact O-N 3.17Å; F83-V87 HydrophobicContact CD1-CG2 4.2Å; F83-V87 HydrophobicContact CE1-CG2 3.79Å; F83-V87 HydrophobicContact CE2-CG2 4.27Å; F83-V87 HydrophobicContact CZ-CG2 3.83Å; F83-V87 WeakPolarHBondContact O-CG2 3.46Å; F83-V87 PolarHBondContact O-N 3.3Å; F83-F132 HydrophobicContact CD1-CE2 4.05Å; F83-F132 AromaticContact CD1-CZ 3.68Å; F83-F132 HydrophobicContact CD1-CZ 3.68Å; F83-F132 AromaticContact CE1-CZ 3.86Å; F83-F132 HydrophobicContact CE1-CZ 3.86Å |
| 84 | L | 98.5 | Very high | 97.3 | Very high | 18 Ų | 18 | 64.9 Ų | 64.9 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.4 | -34.9 | -179.3 | -62.6 | 178.7 | 0 | 0 | 0 | 112.7 | R80 K81 F86 V87 E88 F132 E135 F136 L139 | R80-L84 WeakPolarHBondContact O-CG 3.35Å; R80-L84 PolarHBondContact O-N 2.86Å; K81-L84 PolarHBondContact O-N 2.9Å; L84-F86 VanDerWaalsContact C-N 3.31Å; L84-F86 PolarHBondContact O-N 2.84Å; L84-V87 PolarHBondContact O-N 3.24Å; L84-E88 WeakPolarHBondContact O-CB 3.28Å; L84-E88 PolarHBondContact O-N 2.89Å; L84-F132 HydrophobicContact CD1-CD2 4.41Å; L84-F132 HydrophobicContact CD1-CE2 4.14Å; L84-F132 HydrophobicContact CD2-CE2 3.79Å; L84-F132 HydrophobicContact CD2-CZ 4.28Å; L84-F132 HydrophobicContact CG-CE2 3.96Å; L84-E135 HydrophobicContact CD1-CB 3.52Å; L84-F136 HydrophobicContact CD1-CB 4.48Å; L84-F136 HydrophobicContact CD2-CB 3.6Å; L84-L139 HydrophobicContact CB-CD1 3.97Å; L84-L139 HydrophobicContact CD2-CD1 4.03Å; L84-L139 HydrophobicContact CG-CD1 4.47Å |
| 85 | T | 98.5 | Very high | 97.5 | Very high | 42 Ų | 42 | 64.6 Ų | 64.6 | 26% | 0.258 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 170.9 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | K81 A82 F83 R89 | K81-T85 VanDerWaalsContact O-CB 3.31Å; K81-T85 WeakPolarHBondContact O-CB 3.44Å; K81-T85 PolarHBondContact O-N 3.34Å; K81-T85 PolarHBondContact O-OG1 3.03Å; A82-T85 PolarHBondContact O-N 3.43Å; F83-T85 PolarHBondContact O-N 2.78Å; T85-R89 WeakPolarHBondContact O-CB 3.43Å; T85-R89 WeakPolarHBondContact O-CD 3.46Å; T85-R89 VanDerWaalsContact O-CG 3.24Å; T85-R89 WeakPolarHBondContact O-CG 3.28Å; T85-R89 PolarHBondContact O-N 3.21Å |
| 86 | F | 98.5 | Very high | 97.6 | Very high | 45 Ų | 45 | 63.3 Ų | 63.3 | 20% | 0.197 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 173.7 | 163.8 | -94.3 | 0 | 0 | 0 | 111.1 | Y34 H70 A82 F83 L84 R89 N90 Y91 | Y34-F86 AromaticContact CE1-CE1 3.91Å; Y34-F86 HydrophobicContact CE1-CE1 3.91Å; Y34-F86 HydrophobicContact CE1-CZ 4.08Å; Y34-F86 HydrophobicContact CE2-CE1 4.4Å; Y34-F86 AromaticContact CZ-CE1 3.74Å; Y34-F86 AromaticContact CZ-CZ 3.74Å; Y34-F86 WeakPolarHBondContact OH-CZ 3.5Å; H70-F86 AromaticContact CD2-CD1 3.38Å; H70-F86 WeakPolarHBondContact CD2-CD1 3.09Å; H70-F86 AromaticContact CD2-CD2 3.98Å; H70-F86 AromaticContact CD2-CE1 3.81Å; H70-F86 AromaticContact CD2-CG 3.51Å; H70-F86 WeakPolarHBondContact NE2-CB 3.36Å; H70-F86 AromaticContact NE2-CD1 3.63Å; H70-F86 AromaticContact NE2-CD2 3.91Å; H70-F86 AromaticContact NE2-CG 3.33Å; H70-F86 VanDerWaalsContact NE2-CG 3.33Å; H70-F86 WeakPolarHBondContact NE2-CG 3.14Å; A82-F86 WeakPolarHBondContact O-CB 3.43Å; A82-F86 PolarHBondContact O-N 3.31Å; F83-F86 VanDerWaalsContact O-CB 3.32Å; F83-F86 WeakPolarHBondContact O-CB 3.37Å; F83-F86 PolarHBondContact O-N 3.11Å; F83-F86 VanDerWaalsContact O-N 3.17Å; L84-F86 VanDerWaalsContact C-N 3.31Å; L84-F86 PolarHBondContact O-N 2.84Å; F86-R89 PolarHBondContact O-N 3.16Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.16Å; F86-N90 HydrophobicContact CE2-CB 4.32Å; F86-N90 VanDerWaalsContact CE2-ND2 3.25Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.47Å; F86-N90 HydrophobicContact CZ-CB 4.3Å; F86-N90 PolarHBondContact O-N 2.7Å; F86-N90 VanDerWaalsContact O-N 3.15Å; F86-N90 PolarHBondContact O-ND2 3.33Å; F86-Y91 AromaticContact CE1-CE2 3.78Å; F86-Y91 HydrophobicContact CE1-CE2 3.78Å; F86-Y91 AromaticContact CZ-CE2 3.91Å; F86-Y91 HydrophobicContact CZ-CE2 3.91Å |
| 87 | V | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -51.9 | 178.8 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | L3 F83 L84 R89 N90 Y91 I95 L139 | L3-V87 HydrophobicContact CD2-CB 4.38Å; L3-V87 HydrophobicContact CD2-CG1 3.69Å; L3-V87 HydrophobicContact CD2-CG2 3.88Å; F83-V87 HydrophobicContact CD1-CG2 4.2Å; F83-V87 HydrophobicContact CE1-CG2 3.79Å; F83-V87 HydrophobicContact CE2-CG2 4.27Å; F83-V87 HydrophobicContact CZ-CG2 3.83Å; F83-V87 WeakPolarHBondContact O-CG2 3.46Å; F83-V87 PolarHBondContact O-N 3.3Å; L84-V87 PolarHBondContact O-N 3.24Å; V87-R89 VanDerWaalsContact C-N 3.26Å; V87-R89 PolarHBondContact O-N 3.34Å; V87-N90 PolarHBondContact O-N 2.61Å; V87-Y91 PolarHBondContact O-N 3.46Å; V87-I95 HydrophobicContact CG1-CD1 4.08Å; V87-I95 HydrophobicContact CG1-CG1 3.76Å; V87-L139 HydrophobicContact CG1-CD1 4.38Å |
| 88 | E | 97.7 | Very high | 97.9 | Very high | 129 Ų | 129 | 54 Ų | 54 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -57.5 | -38.9 | -179 | -174.2 | 179.7 | -154.4 | 0 | 0 | 112.1 | L84 L139 | L84-E88 WeakPolarHBondContact O-CB 3.28Å; L84-E88 PolarHBondContact O-N 2.89Å; E88-L139 HydrophobicContact CB-CD2 4.39Å; E88-L139 HydrophobicContact CG-CD2 4.43Å |
| 89 | R | 98.1 | Very high | 98 | Very high | 199 Ų | 199 | 48.5 Ų | 48.5 | 75% | 0.751 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -72.3 | -33.7 | 179.7 | -73.2 | 174.2 | -179.5 | 177.1 | 1.9 | 114 | T85 F86 V87 | T85-R89 WeakPolarHBondContact O-CB 3.43Å; T85-R89 WeakPolarHBondContact O-CD 3.46Å; T85-R89 VanDerWaalsContact O-CG 3.24Å; T85-R89 WeakPolarHBondContact O-CG 3.28Å; T85-R89 PolarHBondContact O-N 3.21Å; F86-R89 PolarHBondContact O-N 3.16Å; V87-R89 VanDerWaalsContact C-N 3.26Å; V87-R89 PolarHBondContact O-N 3.34Å |
| 90 | N | 98.2 | Very high | 98.2 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -107.1 | -20.2 | -168.9 | -66.6 | -83.4 | 0 | 0 | 0 | 113.7 | F86 V87 | F86-N90 WeakPolarHBondContact CD2-ND2 3.16Å; F86-N90 HydrophobicContact CE2-CB 4.32Å; F86-N90 VanDerWaalsContact CE2-ND2 3.25Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.47Å; F86-N90 HydrophobicContact CZ-CB 4.3Å; F86-N90 PolarHBondContact O-N 2.7Å; F86-N90 VanDerWaalsContact O-N 3.15Å; F86-N90 PolarHBondContact O-ND2 3.33Å; V87-N90 PolarHBondContact O-N 2.61Å |
| 91 | Y | 98.2 | Very high | 98.2 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | trans | -129 | 74.3 | -175.6 | -57.4 | -83.5 | 0 | 0 | 0 | 110.5 | M1 L3 D32 Y34 F86 V87 N93 G94 | M1-Y91 HydrophobicContact CG-CD1 4.41Å; M1-Y91 HydrophobicContact CG-CE1 3.91Å; L3-Y91 HydrophobicContact CB-CD1 3.79Å; L3-Y91 HydrophobicContact CB-CE1 4.25Å; L3-Y91 HydrophobicContact CB-CG 3.99Å; L3-Y91 HydrophobicContact CD1-CD1 4.45Å; L3-Y91 HydrophobicContact CD1-CD2 4.31Å; L3-Y91 HydrophobicContact CD1-CE1 4.23Å; L3-Y91 HydrophobicContact CD1-CE2 4.07Å; L3-Y91 HydrophobicContact CD1-CG 4.5Å; L3-Y91 HydrophobicContact CD2-CD1 4.46Å; L3-Y91 HydrophobicContact CD2-CD2 3.79Å; L3-Y91 HydrophobicContact CD2-CE2 4.34Å; L3-Y91 HydrophobicContact CD2-CG 3.87Å; L3-Y91 HydrophobicContact CG-CD1 4.46Å; L3-Y91 HydrophobicContact CG-CD2 4.45Å; L3-Y91 HydrophobicContact CG-CG 4.34Å; D32-Y91 HydrophobicContact CB-CE1 3.88Å; D32-Y91 WeakPolarHBondContact CB-OH 3.41Å; D32-Y91 WeakPolarHBondContact OD2-CE1 3.38Å; D32-Y91 PolarHBondContact OD2-OH 3.12Å; Y34-Y91 HydrophobicContact CE2-CE2 4.15Å; Y34-Y91 AromaticContact CE2-CZ 3.82Å; Y34-Y91 WeakPolarHBondContact CE2-OH 3.25Å; Y34-Y91 PolarHBondContact OH-OH 3.41Å; F86-Y91 AromaticContact CE1-CE2 3.78Å; F86-Y91 HydrophobicContact CE1-CE2 3.78Å; F86-Y91 AromaticContact CZ-CE2 3.91Å; F86-Y91 HydrophobicContact CZ-CE2 3.91Å; V87-Y91 PolarHBondContact O-N 3.46Å; Y91-N93 PolarHBondContact O-N 2.8Å; Y91-N93 VanDerWaalsContact O-N 3.08Å; Y91-G94 PolarHBondContact O-N 3.15Å | ||
| 92 | P | 96.8 | Very high | 98.1 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 75% | 0.747 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.4 | -176 | 26 | -36.1 | 0 | 0 | 0 | 114.2 | G94 | P92-G94 VanDerWaalsContact C-N 3.29Š|
| 93 | N | 97.4 | Very high | 98 | Very high | 119 Ų | 119 | 41.5 Ų | 41.5 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.7 | 174.5 | -64.1 | -26.1 | 0 | 0 | 0 | 113 | Y91 A141 | Y91-N93 PolarHBondContact O-N 2.8Å; Y91-N93 VanDerWaalsContact O-N 3.08Å; N93-A141 WeakPolarHBondContact O-CA 3.01Å; N93-A141 WeakPolarHBondContact O-CB 3.03Å |
| 94 | G | 98.4 | Very high | 97.9 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | trans | 85.5 | -173 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y91 P92 L139 | Y91-G94 PolarHBondContact O-N 3.15Å; P92-G94 VanDerWaalsContact C-N 3.29Å; G94-L139 CarbonylContact C-O 3.59Å; G94-L139 WeakPolarHBondContact CA-O 3.4Å | ||
| 95 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.7 | 179.8 | -61.2 | 149.5 | 0 | 0 | 0 | 109.6 | L3 F5 V87 A98 F136 L139 L140 A141 A144 | L3-I95 HydrophobicContact CD2-CB 4.39Å; L3-I95 HydrophobicContact CD2-CG1 3.69Å; F5-I95 HydrophobicContact CD1-CG2 3.95Å; F5-I95 HydrophobicContact CE1-CD1 3.96Å; F5-I95 HydrophobicContact CE1-CG1 4.17Å; F5-I95 HydrophobicContact CE1-CG2 3.69Å; V87-I95 HydrophobicContact CG1-CD1 4.08Å; V87-I95 HydrophobicContact CG1-CG1 3.76Å; I95-A98 HydrophobicContact CG2-CB 4.08Å; I95-F136 HydrophobicContact CD1-CB 3.94Å; I95-F136 HydrophobicContact CD1-CD2 4.48Å; I95-F136 HydrophobicContact CD1-CG 4.44Å; I95-L139 HydrophobicContact CD1-CB 3.92Å; I95-L139 PolarHBondContact N-O 3.06Å; I95-L140 HydrophobicContact CB-CD2 4.1Å; I95-L140 HydrophobicContact CG2-CD2 4.15Å; I95-A141 VanDerWaalsContact O-CB 3.28Å; I95-A141 WeakPolarHBondContact O-CB 3.08Å; I95-A141 PolarHBondContact O-N 3.27Å; I95-A144 WeakPolarHBondContact O-CB 3.38Å |
| 96 | N | 98.6 | Very high | 97.4 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 14% | 0.139 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -36.7 | 177.6 | -59 | 98.3 | 0 | 0 | 0 | 112.4 | K2 L3 W31 A141 A144 R145 | K2-N96 WeakPolarHBondContact CA-OD1 3.36Å; K2-N96 VanDerWaalsContact CB-OD1 3.22Å; K2-N96 WeakPolarHBondContact CB-OD1 3.45Å; L3-N96 PolarHBondContact N-OD1 3.5Å; L3-N96 WeakPolarHBondContact O-CA 3.25Å; L3-N96 WeakPolarHBondContact O-CB 3.38Å; L3-N96 PolarHBondContact O-N 3.02Å; W31-N96 HydrophobicContact CH2-CB 3.82Å; W31-N96 HydrophobicContact CZ3-CB 3.75Å; N96-A141 WeakPolarHBondContact ND2-CB 3.42Å; N96-A144 CarbonylContact O-C 3.24Å; N96-A144 VanDerWaalsContact O-CA 3.23Å; N96-A144 WeakPolarHBondContact O-CA 3.33Å; N96-R145 PolarHBondContact O-N 3.41Å |
| 97 | I | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 124.2 | 179 | -63.5 | 174.7 | 0 | 0 | 0 | 109 | L3 A4 F5 L21 Y25 W31 V99 R145 A263 | L3-I97 PolarHBondContact O-N 2.87Å; A4-I97 CarbonylContact C-O 3.55Å; A4-I97 VanDerWaalsContact CA-O 3.3Å; A4-I97 WeakPolarHBondContact CA-O 3.27Å; A4-I97 HydrophobicContact CB-CB 3.76Å; A4-I97 HydrophobicContact CB-CD1 4.43Å; A4-I97 HydrophobicContact CB-CG2 4.26Å; F5-I97 PolarHBondContact N-O 3.3Å; L21-I97 HydrophobicContact CD1-CG2 4.47Å; L21-I97 HydrophobicContact CD2-CD1 4.09Å; Y25-I97 HydrophobicContact CD2-CD1 4.32Å; Y25-I97 HydrophobicContact CE2-CD1 3.52Å; W31-I97 HydrophobicContact CH2-CD1 3.71Å; W31-I97 HydrophobicContact CH2-CG1 4.07Å; W31-I97 HydrophobicContact CZ3-CD1 3.7Å; W31-I97 HydrophobicContact CZ3-CG1 3.99Å; I97-V99 HydrophobicContact CG2-CG2 3.91Å; I97-R145 WeakPolarHBondContact CA-O 3.49Å; I97-R145 HydrophobicContact CG1-CB 4.41Å; I97-A263 HydrophobicContact CD1-CB 4.48Å; I97-A263 VanDerWaalsContact CD1-O 3.25Å; I97-A263 WeakPolarHBondContact CD1-O 3.3Å; I97-A263 HydrophobicContact CG2-CB 3.78Å |
| 98 | A | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 115.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | F5 I95 F136 R145 V146 V147 | F5-A98 HydrophobicContact CD1-CB 4.49Å; F5-A98 HydrophobicContact CE1-CB 3.72Å; F5-A98 HydrophobicContact CE2-CB 4.16Å; F5-A98 HydrophobicContact CZ-CB 3.51Å; I95-A98 HydrophobicContact CG2-CB 4.08Å; A98-F136 HydrophobicContact CB-CE1 4.41Å; A98-F136 HydrophobicContact CB-CE2 3.84Å; A98-F136 HydrophobicContact CB-CZ 3.76Å; A98-R145 PolarHBondContact N-O 3.49Å; A98-V146 HydrophobicContact CB-CG2 4.47Å; A98-V146 CarbonylContact O-C 3.32Å; A98-V146 WeakPolarHBondContact O-CA 3.35Å; A98-V147 PolarHBondContact O-N 2.97Å |
| 99 | V | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 106 | 174.3 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | F5 V6 T7 I17 I97 N101 V147 V149 A263 | F5-V99 PolarHBondContact O-N 3.32Å; V6-V99 WeakPolarHBondContact CA-O 3.45Å; V6-V99 HydrophobicContact CB-CB 4.3Å; V6-V99 HydrophobicContact CG1-CB 4.03Å; V6-V99 HydrophobicContact CG1-CG1 4.15Å; V6-V99 HydrophobicContact CG2-CB 4.04Å; V6-V99 HydrophobicContact CG2-CG2 4.2Å; T7-V99 PolarHBondContact N-O 3.15Å; I17-V99 HydrophobicContact CD1-CG1 4.08Å; I17-V99 HydrophobicContact CG2-CG1 4.44Å; I17-V99 HydrophobicContact CG2-CG2 4.3Å; I97-V99 HydrophobicContact CG2-CG2 3.91Å; V99-N101 HydrophobicContact CG1-CB 4.23Å; V99-N101 PolarHBondContact O-N 3.41Å; V99-N101 VanDerWaalsContact O-N 3.11Å; V99-V147 CarbonylContact C-O 3.58Å; V99-V147 WeakPolarHBondContact CA-O 3.3Å; V99-V147 HydrophobicContact CG1-CB 4.22Å; V99-V147 HydrophobicContact CG1-CG1 4.38Å; V99-V147 HydrophobicContact CG2-CB 4.2Å; V99-V147 HydrophobicContact CG2-CG2 4.5Å; V99-V149 HydrophobicContact CG1-CG2 4.02Å; V99-A263 HydrophobicContact CG2-CB 4.25Å |
| 100 | N | 98.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 89.9 | 172.1 | -73.1 | -42.4 | 0 | 0 | 0 | 109.1 | T7 T129 T133 V147 N148 V149 | T7-N100 WeakPolarHBondContact OG1-CA 3.27Å; N100-T129 HydrophobicContact CB-CG2 3.95Å; N100-T133 PolarHBondContact ND2-OG1 3.49Å; N100-V147 PolarHBondContact N-O 2.96Å; N100-N148 WeakPolarHBondContact CB-OD1 3.21Å; N100-N148 PolarHBondContact ND2-OD1 3.23Å; N100-V149 WeakPolarHBondContact O-CB 3.49Å; N100-V149 PolarHBondContact O-N 2.91Å |
| 101 | N | 98.2 | Very high | 95.4 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | trans | -106.9 | -28.5 | -178.1 | 161.4 | 87.6 | 0 | 0 | 0 | 113.5 | V6 T7 G8 G14 V99 G103 V149 | V6-N101 HydrophobicContact CG1-CB 3.92Å; T7-N101 VanDerWaalsContact O-CB 3.31Å; T7-N101 WeakPolarHBondContact O-CB 3.4Å; T7-N101 PolarHBondContact O-ND2 2.89Å; T7-N101 PolarHBondContact OG1-N 2.99Å; G8-N101 PolarHBondContact O-ND2 3.37Å; G14-N101 WeakPolarHBondContact CA-ND2 3.44Å; V99-N101 HydrophobicContact CG1-CB 4.23Å; V99-N101 PolarHBondContact O-N 3.41Å; V99-N101 VanDerWaalsContact O-N 3.11Å; N101-G103 PolarHBondContact O-N 3.19Å; N101-V149 HydrophobicContact CB-CB 4.47Å; N101-V149 HydrophobicContact CB-CG2 3.9Å | ||
| 102 | A | 95.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | trans | -50.7 | 136.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T7 I74 | T7-A102 PolarHBondContact O-N 2.93Å; T7-A102 VanDerWaalsContact O-N 3.1Å; T7-A102 WeakPolarHBondContact OG1-CB 3.41Å; T7-A102 PolarHBondContact OG1-N 3.13Å; I74-A102 HydrophobicContact CD1-CB 3.8Å; I74-A102 HydrophobicContact CG1-CB 4.31Å | ||
| 103 | G | 94.6 | Very high | 95.3 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 24% | 0.237 | 29% | 0.29 | C | S | . | . | trans | 179.7 | 164.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N101 N125 M243 | N101-G103 PolarHBondContact O-N 3.19Å; G103-N125 WeakPolarHBondContact CA-OD1 3.22Å; G103-M243 WeakPolarHBondContact O-CE 3.13Å | ||
| 104 | I | 95.3 | Very high | 95.3 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | trans | -131.8 | 159.4 | -177.9 | 62.6 | 170.8 | 0 | 0 | 0 | 110.3 | V120 T124 N125 Y204 | I104-V120 HydrophobicContact CD1-CG1 3.66Å; I104-T124 HydrophobicContact CD1-CG2 4.48Å; I104-T124 HydrophobicContact CG1-CG2 4.24Å; I104-T124 HydrophobicContact CG2-CG2 4.23Å; I104-N125 PolarHBondContact N-OD1 2.79Å; I104-N125 PolarHBondContact O-ND2 3.48Å; I104-N125 PolarHBondContact O-OD1 3Å; I104-Y204 WeakPolarHBondContact O-CD2 3.49Å | ||
| 105 | A | 93.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | trans | -143.9 | 135.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y204 M243 | A105-Y204 HydrophobicContact CB-CD2 3.65Å; A105-Y204 HydrophobicContact CB-CE2 4.08Å; A105-Y204 HydrophobicContact CB-CG 4.35Å; A105-M243 HydrophobicContact CB-CG 3.79Å; A105-M243 HydrophobicContact CB-SD 4.31Å | ||
| 106 | F | 93.2 | Very high | 95.2 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | trans | -71.6 | 148.5 | 167.5 | -76.5 | -97.5 | 0 | 0 | 0 | 109.8 | E112 Q117 V120 T121 | F106-E112 HydrophobicContact CD1-CB 4.34Å; F106-E112 HydrophobicContact CD1-CG 4.39Å; F106-E112 HydrophobicContact CE1-CB 3.98Å; F106-E112 HydrophobicContact CE1-CG 3.74Å; F106-Q117 HydrophobicContact CB-CG 4Å; F106-Q117 HydrophobicContact CD1-CG 3.86Å; F106-Q117 HydrophobicContact CD2-CB 3.89Å; F106-Q117 HydrophobicContact CD2-CG 3.9Å; F106-Q117 HydrophobicContact CE1-CG 4.3Å; F106-Q117 HydrophobicContact CE2-CB 4.23Å; F106-Q117 HydrophobicContact CE2-CG 4.35Å; F106-Q117 HydrophobicContact CG-CB 4.15Å; F106-Q117 HydrophobicContact CG-CG 3.63Å; F106-V120 HydrophobicContact CE2-CB 3.89Å; F106-V120 HydrophobicContact CE2-CG1 3.99Å; F106-V120 HydrophobicContact CZ-CB 3.97Å; F106-V120 HydrophobicContact CZ-CG1 4Å; F106-V120 HydrophobicContact CZ-CG2 4.44Å; F106-T121 WeakPolarHBondContact CD2-OG1 3.32Å | ||
| 107 | K | 90.1 | Very high | 95.2 | Very high | 103 Ų | 103 | 48.5 Ų | 48.5 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | trans | -76.8 | 160.2 | 176 | -60 | -169.9 | -179.9 | -153.3 | 0 | 109.7 | D109 S110 D245 | K107-D109 WeakPolarHBondContact CB-OD1 3.39Å; K107-D109 PolarHBondContact O-N 2.94Å; K107-S110 PolarHBondContact N-OG 3.42Å; K107-S110 VanDerWaalsContact N-OG 3.12Å; K107-S110 VanDerWaalsContact O-CB 3.23Å; K107-S110 WeakPolarHBondContact O-CB 3.31Å; K107-S110 PolarHBondContact O-N 3.39Å; K107-S110 VanDerWaalsContact O-N 3.15Å; K107-S110 PolarHBondContact O-OG 2.94Å; K107-D245 WeakPolarHBondContact CD-OD1 3.35Å; K107-D245 WeakPolarHBondContact CE-OD1 3.35Å; K107-D245 IonicContact NZ-OD1 2.78Å; K107-D245 PolarHBondContact NZ-OD1 3.01Å | ||
| 108 | A | 85.3 | Confident | 95.2 | Very high | 114 Ų | 114 | 48.4 Ų | 48.4 | 94% | 0.942 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 109 | D | 88.3 | Confident | 95.2 | Very high | 133 Ų | 133 | 53.7 Ų | 53.7 | 71% | 0.711 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 10.8 | 179.3 | 63.1 | -22.9 | 0 | 0 | 0 | 113.5 | K107 | K107-D109 WeakPolarHBondContact CB-OD1 3.39Å; K107-D109 PolarHBondContact O-N 2.94Å |
| 110 | S | 91.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | trans | -56.8 | 129.6 | 175.1 | -89 | 0 | 0 | 0 | 0 | 111.5 | K107 E112 | K107-S110 PolarHBondContact N-OG 3.42Å; K107-S110 VanDerWaalsContact N-OG 3.12Å; K107-S110 VanDerWaalsContact O-CB 3.23Å; K107-S110 WeakPolarHBondContact O-CB 3.31Å; K107-S110 PolarHBondContact O-N 3.39Å; K107-S110 VanDerWaalsContact O-N 3.15Å; K107-S110 PolarHBondContact O-OG 2.94Å; S110-E112 WeakPolarHBondContact CB-OE2 3.43Å; S110-E112 PolarHBondContact O-N 2.72Å; S110-E112 PolarHBondContact OG-OE2 3.5Å | ||
| 111 | P | 94.5 | Very high | 95.1 | Very high | 122 Ų | 122 | 55.3 Ų | 55.3 | 79% | 0.792 | 32% | 0.317 | S | S | * | . | trans | -73.5 | -13.6 | -178.3 | 31.1 | -37.3 | 0 | 0 | 0 | 113.7 | ||||
| 112 | E | 96.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -67.9 | 142 | -178.2 | -62 | 79.3 | -170.6 | 0 | 0 | 112 | F106 S110 E116 Q117 | F106-E112 HydrophobicContact CD1-CB 4.34Å; F106-E112 HydrophobicContact CD1-CG 4.39Å; F106-E112 HydrophobicContact CE1-CB 3.98Å; F106-E112 HydrophobicContact CE1-CG 3.74Å; S110-E112 WeakPolarHBondContact CB-OE2 3.43Å; S110-E112 PolarHBondContact O-N 2.72Å; S110-E112 PolarHBondContact OG-OE2 3.5Å; E112-E116 HydrophobicContact CB-CB 4.27Å; E112-E116 HydrophobicContact CB-CG 4Å; E112-E116 HydrophobicContact CG-CG 4.2Å; E112-Q117 HydrophobicContact CB-CG 4.19Å; E112-Q117 PolarHBondContact O-NE2 2.95Å |
| 113 | S | 96.7 | Very high | 95.3 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | trans | -62.1 | 155.4 | 176.7 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | G115 E116 Q117 | S113-G115 PolarHBondContact O-N 2.87Å; S113-E116 PolarHBondContact O-N 2.94Å; S113-E116 WeakPolarHBondContact OG-CB 3.16Å; S113-E116 PolarHBondContact OG-N 3.08Å; S113-Q117 WeakPolarHBondContact O-CG 3.19Å; S113-Q117 PolarHBondContact O-N 2.83Å | ||
| 114 | F | 97 | Very high | 95.4 | Very high | 44 Ų | 44 | 57 Ų | 57 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.8 | -35.8 | 177.2 | -176.5 | -115.3 | 0 | 0 | 0 | 112.9 | Q117 A118 F185 A189 Y194 A203 | F114-Q117 PolarHBondContact O-N 2.86Å; F114-A118 VanDerWaalsContact O-CB 3.31Å; F114-A118 WeakPolarHBondContact O-CB 3.38Å; F114-A118 PolarHBondContact O-N 2.81Å; F114-F185 HydrophobicContact CE1-CE2 4.39Å; F114-F185 HydrophobicContact CE1-CZ 4.43Å; F114-F185 HydrophobicContact CZ-CE2 4.21Å; F114-F185 AromaticContact CZ-CZ 3.98Å; F114-F185 HydrophobicContact CZ-CZ 3.98Å; F114-A189 HydrophobicContact CD1-CB 3.65Å; F114-A189 HydrophobicContact CE1-CB 3.58Å; F114-Y194 AromaticContact CD1-CD1 3.72Å; F114-Y194 HydrophobicContact CD1-CD1 3.72Å; F114-Y194 AromaticContact CD1-CE1 3.56Å; F114-Y194 HydrophobicContact CD1-CE1 3.56Å; F114-Y194 HydrophobicContact CD1-CG 4.32Å; F114-Y194 AromaticContact CE1-CD1 3.58Å; F114-Y194 HydrophobicContact CE1-CD1 3.58Å; F114-Y194 AromaticContact CE1-CD2 3.91Å; F114-Y194 HydrophobicContact CE1-CD2 3.91Å; F114-Y194 AromaticContact CE1-CE1 3.68Å; F114-Y194 HydrophobicContact CE1-CE1 3.68Å; F114-Y194 HydrophobicContact CE1-CE2 4.02Å; F114-Y194 AromaticContact CE1-CG 3.69Å; F114-Y194 HydrophobicContact CE1-CG 3.69Å; F114-Y194 AromaticContact CE1-CZ 3.9Å; F114-A203 HydrophobicContact CE2-CB 4.25Å |
| 115 | G | 97.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | S113 A118 R119 A189 | S113-G115 PolarHBondContact O-N 2.87Å; G115-A118 PolarHBondContact O-N 2.62Å; G115-R119 WeakPolarHBondContact O-CB 3.33Å; G115-R119 PolarHBondContact O-N 2.86Å; G115-A189 VanDerWaalsContact CA-C 3.48Å; G115-A189 WeakPolarHBondContact CA-O 3.49Å; G115-A189 PolarHBondContact N-O 3.37Å |
| 116 | E | 98.2 | Very high | 95.8 | Very high | 80 Ų | 80 | 52.8 Ų | 52.8 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 174.8 | 176.1 | 163.5 | -164.8 | 0 | 0 | 112.1 | E112 S113 A118 R119 V120 | E112-E116 HydrophobicContact CB-CB 4.27Å; E112-E116 HydrophobicContact CB-CG 4Å; E112-E116 HydrophobicContact CG-CG 4.2Å; S113-E116 PolarHBondContact O-N 2.94Å; S113-E116 WeakPolarHBondContact OG-CB 3.16Å; S113-E116 PolarHBondContact OG-N 3.08Å; E116-A118 VanDerWaalsContact C-N 3.32Å; E116-A118 PolarHBondContact O-N 3.18Å; E116-R119 PolarHBondContact O-N 3.39Å; E116-R119 IonicContact OE1-NH2 3.43Å; E116-V120 HydrophobicContact CG-CG2 4.34Å; E116-V120 WeakPolarHBondContact O-CB 3.48Å; E116-V120 WeakPolarHBondContact O-CG2 3.07Å; E116-V120 PolarHBondContact O-N 3.2Å |
| 117 | Q | 97.9 | Very high | 96.1 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.1 | -64.7 | -178.7 | 27.1 | 0 | 0 | 111.4 | F106 E112 S113 F114 T121 A203 | F106-Q117 HydrophobicContact CB-CG 4Å; F106-Q117 HydrophobicContact CD1-CG 3.86Å; F106-Q117 HydrophobicContact CD2-CB 3.89Å; F106-Q117 HydrophobicContact CD2-CG 3.9Å; F106-Q117 HydrophobicContact CE1-CG 4.3Å; F106-Q117 HydrophobicContact CE2-CB 4.23Å; F106-Q117 HydrophobicContact CE2-CG 4.35Å; F106-Q117 HydrophobicContact CG-CB 4.15Å; F106-Q117 HydrophobicContact CG-CG 3.63Å; E112-Q117 HydrophobicContact CB-CG 4.19Å; E112-Q117 PolarHBondContact O-NE2 2.95Å; S113-Q117 WeakPolarHBondContact O-CG 3.19Å; S113-Q117 PolarHBondContact O-N 2.83Å; F114-Q117 PolarHBondContact O-N 2.86Å; Q117-T121 WeakPolarHBondContact O-CB 3.39Å; Q117-T121 PolarHBondContact O-N 2.92Å; Q117-T121 PolarHBondContact O-OG1 3.11Å; Q117-A203 HydrophobicContact CB-CB 4.4Å |
| 118 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -52.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F114 G115 E116 V120 V122 F185 A189 A203 | F114-A118 VanDerWaalsContact O-CB 3.31Å; F114-A118 WeakPolarHBondContact O-CB 3.38Å; F114-A118 PolarHBondContact O-N 2.81Å; G115-A118 PolarHBondContact O-N 2.62Å; E116-A118 VanDerWaalsContact C-N 3.32Å; E116-A118 PolarHBondContact O-N 3.18Å; A118-V120 PolarHBondContact O-N 3.04Å; A118-V122 WeakPolarHBondContact O-CB 3.44Å; A118-V122 WeakPolarHBondContact O-CG2 3.45Å; A118-V122 PolarHBondContact O-N 2.95Å; A118-F185 HydrophobicContact CB-CE1 3.87Å; A118-F185 HydrophobicContact CB-CZ 4.15Å; A118-A189 HydrophobicContact CB-CB 3.37Å; A118-A203 HydrophobicContact CB-CB 4.22Å |
| 119 | R | 98.6 | Very high | 97.1 | Very high | 111 Ų | 111 | 42 Ų | 42 | 42% | 0.419 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.5 | -51.9 | 179.4 | -177.2 | -177 | 54.6 | 69.8 | 2.1 | 111.7 | G115 E116 N123 V186 E190 | G115-R119 WeakPolarHBondContact O-CB 3.33Å; G115-R119 PolarHBondContact O-N 2.86Å; E116-R119 PolarHBondContact O-N 3.39Å; E116-R119 IonicContact OE1-NH2 3.43Å; R119-N123 WeakPolarHBondContact O-CB 3.41Å; R119-N123 PolarHBondContact O-N 2.92Å; R119-N123 VanDerWaalsContact O-N 3.08Å; R119-V186 HydrophobicContact CB-CG1 3.85Å; R119-V186 HydrophobicContact CG-CG1 4.3Å; R119-E190 WeakPolarHBondContact CD-OE1 3.39Å |
| 120 | V | 98.2 | Very high | 97.6 | Very high | 37 Ų | 37 | 35.7 Ų | 35.7 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -46.3 | -176 | 178.1 | 0 | 0 | 0 | 0 | 111 | I104 F106 E116 A118 N123 T124 | I104-V120 HydrophobicContact CD1-CG1 3.66Å; F106-V120 HydrophobicContact CE2-CB 3.89Å; F106-V120 HydrophobicContact CE2-CG1 3.99Å; F106-V120 HydrophobicContact CZ-CB 3.97Å; F106-V120 HydrophobicContact CZ-CG1 4Å; F106-V120 HydrophobicContact CZ-CG2 4.44Å; E116-V120 HydrophobicContact CG-CG2 4.34Å; E116-V120 WeakPolarHBondContact O-CB 3.48Å; E116-V120 WeakPolarHBondContact O-CG2 3.07Å; E116-V120 PolarHBondContact O-N 3.2Å; A118-V120 PolarHBondContact O-N 3.04Å; V120-N123 PolarHBondContact O-N 2.96Å; V120-T124 PolarHBondContact O-N 2.9Å; V120-T124 VanDerWaalsContact O-N 3.14Å; V120-T124 PolarHBondContact O-OG1 3.18Å |
| 121 | T | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.8 | -43.9 | -178 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | F106 Q117 N125 | F106-T121 WeakPolarHBondContact CD2-OG1 3.32Å; Q117-T121 WeakPolarHBondContact O-CB 3.39Å; Q117-T121 PolarHBondContact O-N 2.92Å; Q117-T121 PolarHBondContact O-OG1 3.11Å; T121-N125 WeakPolarHBondContact CG2-ND2 3.4Å; T121-N125 VanDerWaalsContact O-CB 3.24Å; T121-N125 WeakPolarHBondContact O-CB 3Å; T121-N125 PolarHBondContact O-N 2.98Å |
| 122 | V | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | A118 T124 F126 T127 M182 F185 V186 | A118-V122 WeakPolarHBondContact O-CB 3.44Å; A118-V122 WeakPolarHBondContact O-CG2 3.45Å; A118-V122 PolarHBondContact O-N 2.95Å; V122-T124 VanDerWaalsContact C-N 3.35Å; V122-T124 PolarHBondContact O-N 3.26Å; V122-F126 HydrophobicContact CG1-CB 4.27Å; V122-F126 HydrophobicContact CG1-CD1 3.98Å; V122-F126 CarbonylContact O-C 3.51Å; V122-F126 WeakPolarHBondContact O-CA 3.33Å; V122-F126 WeakPolarHBondContact O-CB 3.47Å; V122-F126 PolarHBondContact O-N 3.13Å; V122-T127 PolarHBondContact O-N 3.25Å; V122-M182 HydrophobicContact CG1-CB 4.31Å; V122-M182 HydrophobicContact CG1-CE 3.96Å; V122-M182 HydrophobicContact CG2-CE 4.23Å; V122-F185 HydrophobicContact CG2-CD1 3.87Å; V122-F185 HydrophobicContact CG2-CE1 3.79Å; V122-V186 HydrophobicContact CB-CG2 3.75Å; V122-V186 HydrophobicContact CG1-CG2 3.87Å; V122-V186 HydrophobicContact CG2-CG2 3.92Å |
| 123 | N | 98.6 | Very high | 98.2 | Very high | 72 Ų | 72 | 27.8 Ų | 27.8 | 39% | 0.385 | 15% | 0.145 | S | C | . | . | I | π-helix | trans | -57 | -47.3 | 176.6 | -178.6 | 68.4 | 0 | 0 | 0 | 112 | R119 V120 S128 | R119-N123 WeakPolarHBondContact O-CB 3.41Å; R119-N123 PolarHBondContact O-N 2.92Å; R119-N123 VanDerWaalsContact O-N 3.08Å; V120-N123 PolarHBondContact O-N 2.96Å; N123-S128 WeakPolarHBondContact O-CB 3.45Å; N123-S128 PolarHBondContact O-N 3.08Å; N123-S128 PolarHBondContact O-OG 3Å |
| 124 | T | 97.9 | Very high | 98.3 | Very high | 21 Ų | 21 | 27.7 Ų | 27.7 | 13% | 0.129 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -76.6 | -57.4 | -178.7 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | T75 I104 V120 V122 F126 T129 | T75-T124 HydrophobicContact CG2-CG2 3.94Å; I104-T124 HydrophobicContact CD1-CG2 4.48Å; I104-T124 HydrophobicContact CG1-CG2 4.24Å; I104-T124 HydrophobicContact CG2-CG2 4.23Å; V120-T124 PolarHBondContact O-N 2.9Å; V120-T124 VanDerWaalsContact O-N 3.14Å; V120-T124 PolarHBondContact O-OG1 3.18Å; V122-T124 VanDerWaalsContact C-N 3.35Å; V122-T124 PolarHBondContact O-N 3.26Å; T124-F126 PolarHBondContact O-N 3.23Å; T124-T129 PolarHBondContact O-OG1 3.16Å; T124-T129 VanDerWaalsContact O-OG1 3.07Å |
| 125 | N | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -73.1 | -29.5 | -169 | -66.6 | 2.7 | 0 | 0 | 0 | 112.8 | G103 I104 T121 T129 S207 V211 | G103-N125 WeakPolarHBondContact CA-OD1 3.22Å; I104-N125 PolarHBondContact N-OD1 2.79Å; I104-N125 PolarHBondContact O-ND2 3.48Å; I104-N125 PolarHBondContact O-OD1 3Å; T121-N125 WeakPolarHBondContact CG2-ND2 3.4Å; T121-N125 VanDerWaalsContact O-CB 3.24Å; T121-N125 WeakPolarHBondContact O-CB 3Å; T121-N125 PolarHBondContact O-N 2.98Å; N125-T129 PolarHBondContact O-OG1 2.84Å; N125-S207 WeakPolarHBondContact CB-OG 3.5Å; N125-S207 PolarHBondContact ND2-OG 3.31Å; N125-V211 WeakPolarHBondContact O-CG2 3.36Å |
| 126 | F | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -111.8 | -75.3 | -177.7 | 170 | -100.9 | 0 | 0 | 0 | 110.3 | V122 T124 S128 T129 I130 L178 K179 M182 G210 A214 | V122-F126 HydrophobicContact CG1-CB 4.27Å; V122-F126 HydrophobicContact CG1-CD1 3.98Å; V122-F126 CarbonylContact O-C 3.51Å; V122-F126 WeakPolarHBondContact O-CA 3.33Å; V122-F126 WeakPolarHBondContact O-CB 3.47Å; V122-F126 PolarHBondContact O-N 3.13Å; T124-F126 PolarHBondContact O-N 3.23Å; F126-S128 PolarHBondContact O-N 2.96Å; F126-T129 WeakPolarHBondContact O-CA 3.31Å; F126-T129 WeakPolarHBondContact O-CB 3.48Å; F126-T129 PolarHBondContact O-N 3.28Å; F126-I130 HydrophobicContact CD2-CD1 4.26Å; F126-I130 HydrophobicContact CD2-CG1 3.69Å; F126-I130 HydrophobicContact CE2-CD1 4.33Å; F126-I130 HydrophobicContact CE2-CG1 3.54Å; F126-I130 HydrophobicContact CG-CG1 4.4Å; F126-I130 HydrophobicContact CZ-CG1 4.12Å; F126-I130 VanDerWaalsContact O-CG1 3.29Å; F126-I130 WeakPolarHBondContact O-CG1 2.96Å; F126-I130 PolarHBondContact O-N 3.27Å; F126-L178 HydrophobicContact CE2-CD2 3.73Å; F126-L178 HydrophobicContact CE2-CG 3.92Å; F126-L178 HydrophobicContact CZ-CD2 4.03Å; F126-L178 HydrophobicContact CZ-CG 3.77Å; F126-K179 HydrophobicContact CE1-CG 4.2Å; F126-K179 HydrophobicContact CZ-CG 4.14Å; F126-M182 HydrophobicContact CB-CE 4.45Å; F126-M182 HydrophobicContact CD1-CB 3.77Å; F126-M182 HydrophobicContact CD1-CE 4.21Å; F126-M182 HydrophobicContact CD1-CG 3.8Å; F126-M182 HydrophobicContact CD2-CG 4.45Å; F126-M182 HydrophobicContact CE1-CB 3.47Å; F126-M182 VanDerWaalsContact CE1-CB 3.47Å; F126-M182 HydrophobicContact CE1-CG 3.45Å; F126-M182 VanDerWaalsContact CE1-CG 3.45Å; F126-M182 HydrophobicContact CE2-CG 4.12Å; F126-M182 HydrophobicContact CG-CE 4.16Å; F126-M182 HydrophobicContact CG-CG 4.3Å; F126-M182 HydrophobicContact CZ-CB 4.15Å; F126-M182 HydrophobicContact CZ-CG 3.63Å; F126-G210 VanDerWaalsContact CD2-C 3.44Å; F126-A214 HydrophobicContact CE2-CB 4.28Å |
| 127 | T | 98.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 25.8 Ų | 25.8 | 22% | 0.215 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -53.6 | -56.9 | -166.2 | -52.3 | 0 | 0 | 0 | 0 | 112.3 | V122 T129 I130 D131 | V122-T127 PolarHBondContact O-N 3.25Å; T127-T129 VanDerWaalsContact C-N 3.3Å; T127-T129 PolarHBondContact O-N 3.37Å; T127-I130 PolarHBondContact O-N 3.27Å; T127-D131 WeakPolarHBondContact O-CB 3.37Å; T127-D131 VanDerWaalsContact O-CG 3.28Å; T127-D131 PolarHBondContact O-N 3.44Å |
| 128 | S | 98.4 | Very high | 98.5 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -64.5 | -33.5 | -179.2 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | I74 N123 F126 F132 | I74-S128 WeakPolarHBondContact O-CB 3.22Å; N123-S128 WeakPolarHBondContact O-CB 3.45Å; N123-S128 PolarHBondContact O-N 3.08Å; N123-S128 PolarHBondContact O-OG 3Å; F126-S128 PolarHBondContact O-N 2.96Å; S128-F132 VanDerWaalsContact O-CB 3.28Å; S128-F132 WeakPolarHBondContact O-CB 3.45Å; S128-F132 PolarHBondContact O-N 3.12Å |
| 129 | T | 98.5 | Very high | 98.5 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69 | -41.6 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | I74 N100 T124 N125 F126 T127 T133 | I74-T129 WeakPolarHBondContact CD1-OG1 3.4Å; N100-T129 HydrophobicContact CB-CG2 3.95Å; T124-T129 PolarHBondContact O-OG1 3.16Å; T124-T129 VanDerWaalsContact O-OG1 3.07Å; N125-T129 PolarHBondContact O-OG1 2.84Å; F126-T129 WeakPolarHBondContact O-CA 3.31Å; F126-T129 WeakPolarHBondContact O-CB 3.48Å; F126-T129 PolarHBondContact O-N 3.28Å; T127-T129 VanDerWaalsContact C-N 3.3Å; T127-T129 PolarHBondContact O-N 3.37Å; T129-T133 WeakPolarHBondContact O-CB 3.26Å; T129-T133 PolarHBondContact O-N 2.88Å; T129-T133 PolarHBondContact O-OG1 3.2Å |
| 130 | I | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.4 | -45.3 | 179.2 | -57.4 | -33.1 | 0 | 0 | 0 | 110.1 | F126 T127 F132 T133 E134 L175 A214 F218 | F126-I130 HydrophobicContact CD2-CD1 4.26Å; F126-I130 HydrophobicContact CD2-CG1 3.69Å; F126-I130 HydrophobicContact CE2-CD1 4.33Å; F126-I130 HydrophobicContact CE2-CG1 3.54Å; F126-I130 HydrophobicContact CG-CG1 4.4Å; F126-I130 HydrophobicContact CZ-CG1 4.12Å; F126-I130 VanDerWaalsContact O-CG1 3.29Å; F126-I130 WeakPolarHBondContact O-CG1 2.96Å; F126-I130 PolarHBondContact O-N 3.27Å; T127-I130 PolarHBondContact O-N 3.27Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 3.24Å; I130-T133 WeakPolarHBondContact O-CA 3.49Å; I130-T133 WeakPolarHBondContact O-CB 3.5Å; I130-T133 PolarHBondContact O-N 3.48Å; I130-E134 PolarHBondContact O-N 2.74Å; I130-L175 HydrophobicContact CG2-CD2 3.99Å; I130-A214 HydrophobicContact CD1-CB 3.33Å; I130-A214 HydrophobicContact CG1-CB 3.8Å; I130-F218 HydrophobicContact CD1-CE2 4.19Å; I130-F218 HydrophobicContact CG2-CE2 4.05Å; I130-F218 HydrophobicContact CG2-CZ 3.7Å |
| 131 | D | 98.6 | Very high | 98.5 | Very high | 43 Ų | 43 | 23.6 Ų | 23.6 | 23% | 0.23 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.4 | -48.2 | 175.8 | -71.2 | -11.8 | 0 | 0 | 0 | 110.9 | T127 T133 E134 E135 K179 | T127-D131 WeakPolarHBondContact O-CB 3.37Å; T127-D131 VanDerWaalsContact O-CG 3.28Å; T127-D131 PolarHBondContact O-N 3.44Å; D131-T133 VanDerWaalsContact C-N 3.28Å; D131-T133 PolarHBondContact O-N 3.17Å; D131-E134 PolarHBondContact O-N 3.47Å; D131-E135 WeakPolarHBondContact O-CB 3.3Å; D131-E135 WeakPolarHBondContact O-CG 3.32Å; D131-E135 PolarHBondContact O-N 2.82Å; D131-K179 IonicContact OD1-NZ 2.75Å; D131-K179 PolarHBondContact OD1-NZ 3.29Å |
| 132 | F | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 176.6 | -174.1 | -132.1 | 0 | 0 | 0 | 112.7 | F5 T7 L72 I74 R80 F83 L84 S128 I130 E135 F136 | F5-F132 AromaticContact CE2-CE1 3.72Å; F5-F132 HydrophobicContact CE2-CE1 3.72Å; F5-F132 HydrophobicContact CE2-CZ 4.22Å; F5-F132 AromaticContact CZ-CE1 3.88Å; F5-F132 HydrophobicContact CZ-CE1 3.88Å; F5-F132 HydrophobicContact CZ-CZ 4.13Å; T7-F132 HydrophobicContact CG2-CD1 4.29Å; T7-F132 HydrophobicContact CG2-CE1 3.86Å; L72-F132 HydrophobicContact CD1-CE2 4.06Å; L72-F132 HydrophobicContact CD1-CZ 4.01Å; L72-F132 HydrophobicContact CD2-CE1 3.66Å; L72-F132 HydrophobicContact CD2-CE2 4.36Å; L72-F132 HydrophobicContact CD2-CZ 3.48Å; L72-F132 VanDerWaalsContact CD2-CZ 3.48Å; L72-F132 HydrophobicContact CG-CZ 4.36Å; I74-F132 HydrophobicContact CG2-CD1 3.9Å; I74-F132 HydrophobicContact CG2-CE1 4.38Å; I74-F132 HydrophobicContact CG2-CG 4.32Å; R80-F132 HydrophobicContact CB-CD2 3.97Å; R80-F132 HydrophobicContact CB-CE2 4.29Å; R80-F132 HydrophobicContact CG-CD2 3.85Å; R80-F132 HydrophobicContact CG-CE2 4.41Å; R80-F132 HydrophobicContact CG-CG 4.39Å; F83-F132 HydrophobicContact CD1-CE2 4.05Å; F83-F132 AromaticContact CD1-CZ 3.68Å; F83-F132 HydrophobicContact CD1-CZ 3.68Å; F83-F132 AromaticContact CE1-CZ 3.86Å; F83-F132 HydrophobicContact CE1-CZ 3.86Å; L84-F132 HydrophobicContact CD1-CD2 4.41Å; L84-F132 HydrophobicContact CD1-CE2 4.14Å; L84-F132 HydrophobicContact CD2-CE2 3.79Å; L84-F132 HydrophobicContact CD2-CZ 4.28Å; L84-F132 HydrophobicContact CG-CE2 3.96Å; S128-F132 VanDerWaalsContact O-CB 3.28Å; S128-F132 WeakPolarHBondContact O-CB 3.45Å; S128-F132 PolarHBondContact O-N 3.12Å; I130-F132 VanDerWaalsContact C-N 3.33Å; I130-F132 PolarHBondContact O-N 3.24Å; F132-E135 PolarHBondContact O-N 2.67Å; F132-F136 AromaticContact CD1-CD1 3.84Å; F132-F136 HydrophobicContact CD1-CD1 3.84Å; F132-F136 AromaticContact CD1-CE1 3.94Å; F132-F136 HydrophobicContact CD1-CE1 3.94Å; F132-F136 HydrophobicContact CD2-CD1 4.33Å; F132-F136 AromaticContact CE1-CD1 3.79Å; F132-F136 HydrophobicContact CE1-CD1 3.79Å; F132-F136 HydrophobicContact CE1-CE1 4.06Å; F132-F136 HydrophobicContact CE2-CD1 4.33Å; F132-F136 HydrophobicContact CG-CD1 4.11Å; F132-F136 HydrophobicContact CZ-CD1 4.06Å; F132-F136 WeakPolarHBondContact O-CD1 3.4Å; F132-F136 PolarHBondContact O-N 3.11Å |
| 133 | T | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 177.5 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | N100 T129 I130 D131 E135 F136 I137 F218 | N100-T133 PolarHBondContact ND2-OG1 3.49Å; T129-T133 WeakPolarHBondContact O-CB 3.26Å; T129-T133 PolarHBondContact O-N 2.88Å; T129-T133 PolarHBondContact O-OG1 3.2Å; I130-T133 WeakPolarHBondContact O-CA 3.49Å; I130-T133 WeakPolarHBondContact O-CB 3.5Å; I130-T133 PolarHBondContact O-N 3.48Å; D131-T133 VanDerWaalsContact C-N 3.28Å; D131-T133 PolarHBondContact O-N 3.17Å; T133-E135 VanDerWaalsContact C-N 3.28Å; T133-E135 PolarHBondContact O-N 2.96Å; T133-F136 VanDerWaalsContact CA-CE1 3.43Å; T133-F136 HydrophobicContact CG2-CE1 4.29Å; T133-F136 HydrophobicContact CG2-CE2 4.16Å; T133-F136 HydrophobicContact CG2-CZ 3.75Å; T133-F136 PolarHBondContact O-N 3.49Å; T133-I137 HydrophobicContact CG2-CD1 4.19Å; T133-I137 HydrophobicContact CG2-CG1 4.45Å; T133-I137 VanDerWaalsContact O-CG1 3.22Å; T133-I137 WeakPolarHBondContact O-CG1 3.49Å; T133-I137 PolarHBondContact O-N 3.37Å; T133-F218 HydrophobicContact CG2-CD1 4.43Å; T133-F218 HydrophobicContact CG2-CD2 3.88Å; T133-F218 HydrophobicContact CG2-CE1 4.06Å; T133-F218 HydrophobicContact CG2-CE2 3.46Å; T133-F218 VanDerWaalsContact CG2-CE2 3.46Å; T133-F218 HydrophobicContact CG2-CG 4.35Å; T133-F218 HydrophobicContact CG2-CZ 3.57Å |
| 134 | E | 98.4 | Very high | 98.4 | Very high | 72 Ų | 72 | 26.2 Ų | 26.2 | 34% | 0.336 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -58.8 | -41.4 | 172.9 | -72.9 | 179.8 | 101.6 | 0 | 0 | 111.8 | I130 D131 P138 L175 K179 F218 | I130-E134 PolarHBondContact O-N 2.74Å; D131-E134 PolarHBondContact O-N 3.47Å; E134-P138 WeakPolarHBondContact O-CD 3.36Å; E134-L175 HydrophobicContact CG-CD1 3.91Å; E134-K179 WeakPolarHBondContact OE2-CE 3.06Å; E134-K179 IonicContact OE2-NZ 2.72Å; E134-K179 PolarHBondContact OE2-NZ 3.42Å; E134-F218 HydrophobicContact CG-CE1 3.7Å; E134-F218 HydrophobicContact CG-CZ 3.87Å |
| 135 | E | 98.7 | Very high | 98.4 | Very high | 65 Ų | 65 | 25.8 Ų | 25.8 | 30% | 0.304 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 180 | -70.3 | 167.1 | -177.2 | 0 | 0 | 113 | R80 L84 D131 F132 T133 | R80-E135 WeakPolarHBondContact CB-OE2 3.43Å; R80-E135 WeakPolarHBondContact CD-OE2 3.45Å; R80-E135 IonicContact CZ-OE1 2.66Å; R80-E135 IonicContact CZ-OE2 3.14Å; R80-E135 VanDerWaalsContact NE-CD 3.33Å; R80-E135 IonicContact NE-OE1 3.03Å; R80-E135 PolarHBondContact NE-OE1 2.99Å; R80-E135 VanDerWaalsContact NE-OE1 3.14Å; R80-E135 IonicContact NE-OE2 2.68Å; R80-E135 PolarHBondContact NE-OE2 3.3Å; R80-E135 IonicContact NH2-OE1 3.88Å; R80-E135 PolarHBondContact NH2-OE1 3.22Å; R80-E135 IonicContact NH2-OE2 2.68Å; L84-E135 HydrophobicContact CD1-CB 3.52Å; D131-E135 WeakPolarHBondContact O-CB 3.3Å; D131-E135 WeakPolarHBondContact O-CG 3.32Å; D131-E135 PolarHBondContact O-N 2.82Å; F132-E135 PolarHBondContact O-N 2.67Å; T133-E135 VanDerWaalsContact C-N 3.28Å; T133-E135 PolarHBondContact O-N 2.96Å |
| 136 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -90.9 | -15.8 | -179 | 75.6 | -121.4 | 0 | 0 | 0 | 114.8 | F5 L84 I95 A98 F132 T133 P138 L139 L140 V146 | F5-F136 AromaticContact CZ-CD1 3.96Å; F5-F136 HydrophobicContact CZ-CD1 3.96Å; F5-F136 AromaticContact CZ-CE1 3.98Å; F5-F136 HydrophobicContact CZ-CE1 3.98Å; F5-F136 HydrophobicContact CZ-CG 4.44Å; F5-F136 HydrophobicContact CZ-CZ 4.5Å; L84-F136 HydrophobicContact CD1-CB 4.48Å; L84-F136 HydrophobicContact CD2-CB 3.6Å; I95-F136 HydrophobicContact CD1-CB 3.94Å; I95-F136 HydrophobicContact CD1-CD2 4.48Å; I95-F136 HydrophobicContact CD1-CG 4.44Å; A98-F136 HydrophobicContact CB-CE1 4.41Å; A98-F136 HydrophobicContact CB-CE2 3.84Å; A98-F136 HydrophobicContact CB-CZ 3.76Å; F132-F136 AromaticContact CD1-CD1 3.84Å; F132-F136 HydrophobicContact CD1-CD1 3.84Å; F132-F136 AromaticContact CD1-CE1 3.94Å; F132-F136 HydrophobicContact CD1-CE1 3.94Å; F132-F136 HydrophobicContact CD2-CD1 4.33Å; F132-F136 AromaticContact CE1-CD1 3.79Å; F132-F136 HydrophobicContact CE1-CD1 3.79Å; F132-F136 HydrophobicContact CE1-CE1 4.06Å; F132-F136 HydrophobicContact CE2-CD1 4.33Å; F132-F136 HydrophobicContact CG-CD1 4.11Å; F132-F136 HydrophobicContact CZ-CD1 4.06Å; F132-F136 WeakPolarHBondContact O-CD1 3.4Å; F132-F136 PolarHBondContact O-N 3.11Å; T133-F136 VanDerWaalsContact CA-CE1 3.43Å; T133-F136 HydrophobicContact CG2-CE1 4.29Å; T133-F136 HydrophobicContact CG2-CE2 4.16Å; T133-F136 HydrophobicContact CG2-CZ 3.75Å; T133-F136 PolarHBondContact O-N 3.49Å; F136-P138 VanDerWaalsContact C-CD 3.46Å; F136-P138 VanDerWaalsContact C-N 3.32Å; F136-L139 CarbonylContact O-C 3.47Å; F136-L139 WeakPolarHBondContact O-CA 3.24Å; F136-L139 WeakPolarHBondContact O-CB 3.46Å; F136-L139 PolarHBondContact O-N 3.17Å; F136-L140 HydrophobicContact CD2-CD1 4.47Å; F136-L140 HydrophobicContact CD2-CD2 3.85Å; F136-L140 HydrophobicContact CD2-CG 4.11Å; F136-L140 HydrophobicContact CE2-CD1 4.39Å; F136-L140 HydrophobicContact CE2-CD2 3.92Å; F136-L140 HydrophobicContact CE2-CG 4.39Å; F136-L140 PolarHBondContact O-N 3.29Å; F136-V146 HydrophobicContact CE2-CG1 4.31Å; F136-V146 HydrophobicContact CE2-CG2 4.16Å; F136-V146 HydrophobicContact CZ-CG1 4.11Å |
| 137 | I | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -50.7 | -43.7 | 178.4 | -85.3 | 165.2 | 0 | 0 | 0 | 113.3 | T133 L139 L140 F218 L222 R227 | T133-I137 HydrophobicContact CG2-CD1 4.19Å; T133-I137 HydrophobicContact CG2-CG1 4.45Å; T133-I137 VanDerWaalsContact O-CG1 3.22Å; T133-I137 WeakPolarHBondContact O-CG1 3.49Å; T133-I137 PolarHBondContact O-N 3.37Å; I137-L139 PolarHBondContact O-N 3.38Å; I137-L140 HydrophobicContact CB-CD1 4.39Å; I137-L140 HydrophobicContact CG1-CD1 3.99Å; I137-L140 WeakPolarHBondContact O-CB 3.49Å; I137-L140 PolarHBondContact O-N 3.2Å; I137-F218 HydrophobicContact CD1-CD1 3.52Å; I137-F218 HydrophobicContact CD1-CE1 3.6Å; I137-F218 HydrophobicContact CD1-CG 4.41Å; I137-L222 HydrophobicContact CD1-CD1 4.37Å; I137-L222 HydrophobicContact CG1-CD1 4.43Å; I137-L222 HydrophobicContact CG2-CD2 4.17Å; I137-R227 PolarHBondContact O-NH1 3.01Å |
| 138 | P | 98.3 | Very high | 98.5 | Very high | 93 Ų | 93 | 24.3 Ų | 24.3 | 60% | 0.604 | 13% | 0.127 | S | C | * | . | G | 310 helix | trans | -60.5 | -25.7 | 175.8 | -26.3 | 36.4 | 0 | 0 | 0 | 113.8 | E134 F136 | E134-P138 WeakPolarHBondContact O-CD 3.36Å; F136-P138 VanDerWaalsContact C-CD 3.46Å; F136-P138 VanDerWaalsContact C-N 3.32Å |
| 139 | L | 98.6 | Very high | 98.5 | Very high | 39 Ų | 39 | 24.5 Ų | 24.5 | 20% | 0.204 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -94 | 2.6 | -178.8 | -55.7 | -178.8 | 0 | 0 | 0 | 113.2 | L84 V87 E88 G94 I95 F136 I137 | L84-L139 HydrophobicContact CB-CD1 3.97Å; L84-L139 HydrophobicContact CD2-CD1 4.03Å; L84-L139 HydrophobicContact CG-CD1 4.47Å; V87-L139 HydrophobicContact CG1-CD1 4.38Å; E88-L139 HydrophobicContact CB-CD2 4.39Å; E88-L139 HydrophobicContact CG-CD2 4.43Å; G94-L139 CarbonylContact C-O 3.59Å; G94-L139 WeakPolarHBondContact CA-O 3.4Å; I95-L139 HydrophobicContact CD1-CB 3.92Å; I95-L139 PolarHBondContact N-O 3.06Å; F136-L139 CarbonylContact O-C 3.47Å; F136-L139 WeakPolarHBondContact O-CA 3.24Å; F136-L139 WeakPolarHBondContact O-CB 3.46Å; F136-L139 PolarHBondContact O-N 3.17Å; I137-L139 PolarHBondContact O-N 3.38Å |
| 140 | L | 98.7 | Very high | 98.5 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 136.5 | 175.9 | -68.9 | 173.5 | 0 | 0 | 0 | 111.5 | I95 F136 I137 A144 V146 R227 I229 | I95-L140 HydrophobicContact CB-CD2 4.1Å; I95-L140 HydrophobicContact CG2-CD2 4.15Å; F136-L140 HydrophobicContact CD2-CD1 4.47Å; F136-L140 HydrophobicContact CD2-CD2 3.85Å; F136-L140 HydrophobicContact CD2-CG 4.11Å; F136-L140 HydrophobicContact CE2-CD1 4.39Å; F136-L140 HydrophobicContact CE2-CD2 3.92Å; F136-L140 HydrophobicContact CE2-CG 4.39Å; F136-L140 PolarHBondContact O-N 3.29Å; I137-L140 HydrophobicContact CB-CD1 4.39Å; I137-L140 HydrophobicContact CG1-CD1 3.99Å; I137-L140 WeakPolarHBondContact O-CB 3.49Å; I137-L140 PolarHBondContact O-N 3.2Å; L140-A144 HydrophobicContact CB-CB 4.06Å; L140-A144 HydrophobicContact CD2-CB 3.99Å; L140-A144 HydrophobicContact CG-CB 4.49Å; L140-V146 HydrophobicContact CD1-CG2 3.82Å; L140-V146 HydrophobicContact CD2-CG2 3.93Å; L140-R227 PolarHBondContact O-NH1 3.43Å; L140-R227 VanDerWaalsContact O-NH1 3.08Å; L140-I229 HydrophobicContact CB-CD1 3.88Å; L140-I229 HydrophobicContact CB-CG1 4.4Å; L140-I229 HydrophobicContact CD1-CD1 3.82Å; L140-I229 HydrophobicContact CD1-CG1 4.39Å; L140-I229 HydrophobicContact CD1-CG2 3.95Å |
| 141 | A | 98.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 170.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | N93 I95 N96 A144 | N93-A141 WeakPolarHBondContact O-CA 3.01Å; N93-A141 WeakPolarHBondContact O-CB 3.03Å; I95-A141 VanDerWaalsContact O-CB 3.28Å; I95-A141 WeakPolarHBondContact O-CB 3.08Å; I95-A141 PolarHBondContact O-N 3.27Å; N96-A141 WeakPolarHBondContact ND2-CB 3.42Å; A141-A144 WeakPolarHBondContact O-CB 3.24Å; A141-A144 PolarHBondContact O-N 2.9Å |
| 142 | E | 97.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 24.1 Ų | 24.1 | 51% | 0.505 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 138.6 | 164 | -156.5 | -161.1 | 147.1 | 0 | 0 | 110.7 | A144 R227 R228 | E142-A144 PolarHBondContact O-N 3.17Å; E142-R227 CarbonylContact C-O 3.47Å; E142-R228 IonicContact OE1-CZ 2.78Å; E142-R228 IonicContact OE1-NE 2.8Å; E142-R228 IonicContact OE1-NH2 3.29Å; E142-R228 PolarHBondContact OE1-NH2 3.24Å |
| 143 | N | 97.3 | Very high | 98.3 | Very high | 24 Ų | 24 | 27.4 Ų | 27.4 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.3 | 29.4 | -178.6 | -49.9 | -71.2 | 0 | 0 | 0 | 113.4 | R145 R227 R228 I267 | N143-R145 PolarHBondContact O-NH1 2.87Å; N143-R227 PolarHBondContact N-O 3.49Å; N143-R228 PolarHBondContact ND2-NH2 3.37Å; N143-R228 PolarHBondContact OD1-NE 3.2Å; N143-R228 PolarHBondContact OD1-NH1 2.97Å; N143-R228 PolarHBondContact OD1-NH2 2.95Å; N143-I267 HydrophobicContact CB-CG1 4.29Å; N143-I267 HydrophobicContact CB-CG2 4.04Å |
| 144 | A | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 152.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | I95 N96 L140 A141 E142 I229 V230 | I95-A144 WeakPolarHBondContact O-CB 3.38Å; N96-A144 CarbonylContact O-C 3.24Å; N96-A144 VanDerWaalsContact O-CA 3.23Å; N96-A144 WeakPolarHBondContact O-CA 3.33Å; L140-A144 HydrophobicContact CB-CB 4.06Å; L140-A144 HydrophobicContact CD2-CB 3.99Å; L140-A144 HydrophobicContact CG-CB 4.49Å; A141-A144 WeakPolarHBondContact O-CB 3.24Å; A141-A144 PolarHBondContact O-N 2.9Å; E142-A144 PolarHBondContact O-N 3.17Å; A144-I229 HydrophobicContact CB-CG1 4.29Å; A144-V230 PolarHBondContact O-N 2.9Å |
| 145 | R | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 25.1 Ų | 25.1 | 5% | 0.045 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116.4 | 174.3 | -56.5 | -64.3 | 177.2 | -111.9 | 12.3 | 109 | N96 I97 A98 N143 A263 L265 P266 I267 | N96-R145 PolarHBondContact O-N 3.41Å; I97-R145 WeakPolarHBondContact CA-O 3.49Å; I97-R145 HydrophobicContact CG1-CB 4.41Å; A98-R145 PolarHBondContact N-O 3.49Å; N143-R145 PolarHBondContact O-NH1 2.87Å; R145-A263 WeakPolarHBondContact CG-O 3.46Å; R145-L265 PolarHBondContact NE-O 3.3Å; R145-P266 PolarHBondContact NH2-O 3.09Å; R145-I267 PolarHBondContact NH2-O 2.89Å |
| 146 | V | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.5 | 173.8 | -176 | 0 | 0 | 0 | 0 | 108.6 | A98 F136 L140 I229 V230 V231 N232 | A98-V146 HydrophobicContact CB-CG2 4.47Å; A98-V146 CarbonylContact O-C 3.32Å; A98-V146 WeakPolarHBondContact O-CA 3.35Å; F136-V146 HydrophobicContact CE2-CG1 4.31Å; F136-V146 HydrophobicContact CE2-CG2 4.16Å; F136-V146 HydrophobicContact CZ-CG1 4.11Å; L140-V146 HydrophobicContact CD1-CG2 3.82Å; L140-V146 HydrophobicContact CD2-CG2 3.93Å; V146-I229 HydrophobicContact CG2-CG2 4.3Å; V146-V230 PolarHBondContact N-O 2.93Å; V146-V231 HydrophobicContact CB-CB 4.47Å; V146-V231 HydrophobicContact CB-CG1 4.21Å; V146-V231 HydrophobicContact CB-CG2 4.13Å; V146-V231 HydrophobicContact CG1-CG1 4.28Å; V146-V231 HydrophobicContact CG2-CG2 4.45Å; V146-V231 WeakPolarHBondContact O-CA 3.36Å; V146-N232 PolarHBondContact O-N 2.68Å |
| 147 | V | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 116.1 | -178.3 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | A98 V99 N100 N232 P259 L262 A263 | A98-V147 PolarHBondContact O-N 2.97Å; V99-V147 CarbonylContact C-O 3.58Å; V99-V147 WeakPolarHBondContact CA-O 3.3Å; V99-V147 HydrophobicContact CG1-CB 4.22Å; V99-V147 HydrophobicContact CG1-CG1 4.38Å; V99-V147 HydrophobicContact CG2-CB 4.2Å; V99-V147 HydrophobicContact CG2-CG2 4.5Å; N100-V147 PolarHBondContact N-O 2.96Å; V147-N232 WeakPolarHBondContact CA-O 3.35Å; V147-P259 HydrophobicContact CG1-CB 4.18Å; V147-L262 HydrophobicContact CG1-CB 4.17Å; V147-L262 HydrophobicContact CG1-CD1 4.07Å; V147-L262 HydrophobicContact CG2-CB 3.65Å; V147-A263 HydrophobicContact CG2-CB 4.06Å |
| 148 | N | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110.5 | 176.6 | -64 | -44.5 | 0 | 0 | 0 | 110 | N100 S150 V211 S215 N232 S233 C234 | N100-N148 WeakPolarHBondContact CB-OD1 3.21Å; N100-N148 PolarHBondContact ND2-OD1 3.23Å; N148-S150 PolarHBondContact O-N 3.03Å; N148-S150 VanDerWaalsContact O-N 3.1Å; N148-V211 HydrophobicContact CB-CG1 4.12Å; N148-S215 WeakPolarHBondContact ND2-CB 3.3Å; N148-S215 PolarHBondContact ND2-OG 3.12Å; N148-S215 VanDerWaalsContact ND2-OG 3.1Å; N148-N232 PolarHBondContact N-O 2.66Å; N148-S233 CarbonylContact O-C 3.21Å; N148-S233 WeakPolarHBondContact O-CA 3.4Å; N148-C234 PolarHBondContact O-N 3.34Å |
| 149 | V | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 103.5 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | V99 N100 N101 K208 P236 P259 | V99-V149 HydrophobicContact CG1-CG2 4.02Å; N100-V149 WeakPolarHBondContact O-CB 3.49Å; N100-V149 PolarHBondContact O-N 2.91Å; N101-V149 HydrophobicContact CB-CB 4.47Å; N101-V149 HydrophobicContact CB-CG2 3.9Å; V149-K208 PolarHBondContact O-NZ 2.86Å; V149-P236 HydrophobicContact CG1-CG 3.93Å; V149-P259 HydrophobicContact CG2-CB 4.4Å; V149-P259 HydrophobicContact CG2-CG 4.24Å |
| 150 | S | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | trans | -101.4 | -147.4 | 176.5 | -172.3 | 0 | 0 | 0 | 0 | 110.5 | N148 K208 T212 C234 P236 | N148-S150 PolarHBondContact O-N 3.03Å; N148-S150 VanDerWaalsContact O-N 3.1Å; S150-K208 PolarHBondContact OG-O 3.43Å; S150-T212 PolarHBondContact OG-OG1 3.47Å; S150-C234 CarbonylContact C-O 3.59Å; S150-C234 WeakPolarHBondContact CA-O 3.48Å; S150-C234 WeakPolarHBondContact CB-O 3.37Å; S150-C234 PolarHBondContact N-O 2.83Å; S150-P236 WeakPolarHBondContact O-CD 3.07Å | ||
| 151 | S | 97.9 | Very high | 98 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | trans | -156 | 149 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | L153 S154 | S151-L153 PolarHBondContact O-N 3.38Å; S151-L153 WeakPolarHBondContact OG-CB 3.41Å; S151-L153 PolarHBondContact OG-N 2.71Å; S151-L153 VanDerWaalsContact OG-N 3.14Å; S151-S154 VanDerWaalsContact O-CB 3.27Å; S151-S154 WeakPolarHBondContact O-CB 3.44Å; S151-S154 PolarHBondContact O-N 3Å; S151-S154 PolarHBondContact O-OG 2.97Å | ||
| 152 | S | 96.8 | Very high | 98 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 20% | 0.203 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -20.3 | 169.2 | 48.4 | 0 | 0 | 0 | 0 | 112 | S154 L155 F156 C235 | S152-S154 PolarHBondContact O-N 3.3Å; S152-L155 PolarHBondContact O-N 2.97Å; S152-L155 VanDerWaalsContact O-N 3.16Å; S152-F156 WeakPolarHBondContact O-CD2 3.45Å; S152-F156 PolarHBondContact O-N 3.15Å; S152-C235 PolarHBondContact N-SG 3.44Å; S152-C235 PolarHBondContact OG-SG 2.98Å; S152-C235 VanDerWaalsContact OG-SG 3.39Å |
| 153 | L | 96.6 | Very high | 98 | Very high | 70 Ų | 70 | 33.4 Ų | 33.4 | 37% | 0.366 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60 | -23.9 | 168.7 | -65.3 | -177.9 | 0 | 0 | 0 | 113 | S151 F156 N157 Y204 A205 | S151-L153 PolarHBondContact O-N 3.38Å; S151-L153 WeakPolarHBondContact OG-CB 3.41Å; S151-L153 PolarHBondContact OG-N 2.71Å; S151-L153 VanDerWaalsContact OG-N 3.14Å; L153-F156 HydrophobicContact CD2-CD2 4.46Å; L153-N157 VanDerWaalsContact O-CB 3.32Å; L153-N157 WeakPolarHBondContact O-CB 3.45Å; L153-N157 PolarHBondContact O-N 3.14Å; L153-N157 PolarHBondContact O-ND2 2.88Å; L153-Y204 HydrophobicContact CD1-CD1 3.98Å; L153-Y204 HydrophobicContact CD1-CE1 4.03Å; L153-A205 HydrophobicContact CB-CB 4.27Å |
| 154 | S | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.3 | -50.5 | 173.1 | 76.6 | 0 | 0 | 0 | 0 | 110.2 | S151 S152 L158 K208 I209 T212 W285 | S151-S154 VanDerWaalsContact O-CB 3.27Å; S151-S154 WeakPolarHBondContact O-CB 3.44Å; S151-S154 PolarHBondContact O-N 3Å; S151-S154 PolarHBondContact O-OG 2.97Å; S152-S154 PolarHBondContact O-N 3.3Å; S154-L158 WeakPolarHBondContact O-CB 3.01Å; S154-L158 PolarHBondContact O-N 2.88Å; S154-K208 VanDerWaalsContact CB-C 3.46Å; S154-K208 VanDerWaalsContact CB-O 3.32Å; S154-K208 WeakPolarHBondContact CB-O 3.41Å; S154-I209 VanDerWaalsContact O-CG1 3.31Å; S154-I209 WeakPolarHBondContact O-CG1 3.21Å; S154-T212 WeakPolarHBondContact CB-OG1 3.23Å; S154-T212 PolarHBondContact OG-OG1 3.39Å; S154-W285 PolarHBondContact OG-NE1 3.43Å |
| 155 | L | 97.7 | Very high | 98 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -49.5 | 177.4 | -179.5 | 54.2 | 0 | 0 | 0 | 111.6 | S152 N157 L158 L159 V283 W285 | S152-L155 PolarHBondContact O-N 2.97Å; S152-L155 VanDerWaalsContact O-N 3.16Å; L155-N157 PolarHBondContact O-N 2.72Å; L155-L158 HydrophobicContact CD1-CD2 4.4Å; L155-L158 WeakPolarHBondContact O-CB 3.48Å; L155-L158 PolarHBondContact O-N 2.85Å; L155-L159 HydrophobicContact CD1-CD1 4.45Å; L155-L159 HydrophobicContact CD1-CG 4.34Å; L155-L159 WeakPolarHBondContact O-CG 3.08Å; L155-L159 PolarHBondContact O-N 2.9Å; L155-V283 HydrophobicContact CD2-CG1 3.72Å; L155-W285 HydrophobicContact CD1-CG 4.44Å |
| 156 | F | 97.3 | Very high | 98 | Very high | 122 Ų | 122 | 39 Ų | 39 | 54% | 0.535 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.3 | -30.8 | -177.5 | -69.3 | -57 | 0 | 0 | 0 | 113.7 | S152 L153 K160 | S152-F156 WeakPolarHBondContact O-CD2 3.45Å; S152-F156 PolarHBondContact O-N 3.15Å; L153-F156 HydrophobicContact CD2-CD2 4.46Å; F156-K160 WeakPolarHBondContact O-CG 3.08Å |
| 157 | N | 98.2 | Very high | 98 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 10% | 0.102 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -94.1 | -26.1 | 178.6 | -71.2 | -82.4 | 0 | 0 | 0 | 113.1 | L153 L155 L159 K160 L161 V200 A205 I209 | L153-N157 VanDerWaalsContact O-CB 3.32Å; L153-N157 WeakPolarHBondContact O-CB 3.45Å; L153-N157 PolarHBondContact O-N 3.14Å; L153-N157 PolarHBondContact O-ND2 2.88Å; L155-N157 PolarHBondContact O-N 2.72Å; N157-L159 PolarHBondContact O-N 3.05Å; N157-K160 PolarHBondContact O-N 3.1Å; N157-L161 PolarHBondContact O-N 2.84Å; N157-V200 HydrophobicContact CB-CG1 4.28Å; N157-V200 HydrophobicContact CB-CG2 3.99Å; N157-A205 HydrophobicContact CB-CB 3.87Å; N157-A205 VanDerWaalsContact ND2-CB 3.31Å; N157-A205 WeakPolarHBondContact ND2-CB 3.4Å; N157-I209 HydrophobicContact CB-CD1 4.19Å |
| 158 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.7 | -44.3 | 168.2 | 174.5 | 69.8 | 0 | 0 | 0 | 110.3 | S154 L155 K160 L161 Y166 F169 V170 I209 W285 | S154-L158 WeakPolarHBondContact O-CB 3.01Å; S154-L158 PolarHBondContact O-N 2.88Å; L155-L158 HydrophobicContact CD1-CD2 4.4Å; L155-L158 WeakPolarHBondContact O-CB 3.48Å; L155-L158 PolarHBondContact O-N 2.85Å; L158-K160 PolarHBondContact O-N 3.17Å; L158-L161 HydrophobicContact CD1-CD1 4.2Å; L158-L161 PolarHBondContact O-N 3.31Å; L158-Y166 HydrophobicContact CD1-CD2 4.08Å; L158-Y166 HydrophobicContact CD2-CE2 4.27Å; L158-Y166 HydrophobicContact CG-CD2 3.9Å; L158-Y166 HydrophobicContact CG-CE2 4.07Å; L158-F169 HydrophobicContact CD1-CB 3.56Å; L158-F169 HydrophobicContact CD1-CD2 4.3Å; L158-F169 HydrophobicContact CD1-CG 4.14Å; L158-V170 HydrophobicContact CD2-CG1 4.13Å; L158-I209 HydrophobicContact CB-CD1 4.31Å; L158-I209 HydrophobicContact CB-CG1 4.47Å; L158-I209 HydrophobicContact CD1-CG2 4.41Å; L158-W285 HydrophobicContact CB-CZ2 4.39Å; L158-W285 HydrophobicContact CD1-CH2 4.05Å; L158-W285 HydrophobicContact CD1-CZ2 4.35Å; L158-W285 HydrophobicContact CD1-CZ3 4.49Å; L158-W285 HydrophobicContact CD2-CD2 3.75Å; L158-W285 HydrophobicContact CD2-CE3 3.81Å; L158-W285 HydrophobicContact CD2-CG 4.45Å; L158-W285 HydrophobicContact CD2-CH2 3.89Å; L158-W285 HydrophobicContact CD2-CZ2 3.8Å; L158-W285 HydrophobicContact CD2-CZ3 3.89Å; L158-W285 HydrophobicContact CG-CH2 4.49Å; L158-W285 HydrophobicContact CG-CZ2 4.4Å |
| 159 | L | 97.5 | Very high | 97.9 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 38% | 0.377 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.7 | 179.2 | -57.2 | 177.8 | 0 | 0 | 0 | 114.3 | L155 N157 Y166 K287 | L155-L159 HydrophobicContact CD1-CD1 4.45Å; L155-L159 HydrophobicContact CD1-CG 4.34Å; L155-L159 WeakPolarHBondContact O-CG 3.08Å; L155-L159 PolarHBondContact O-N 2.9Å; N157-L159 PolarHBondContact O-N 3.05Å; L159-Y166 HydrophobicContact CD2-CE2 4.1Å; L159-K287 HydrophobicContact CD2-CB 4.2Å; L159-K287 HydrophobicContact CD2-CG 3.41Å; L159-K287 VanDerWaalsContact CD2-CG 3.41Å |
| 160 | K | 97.8 | Very high | 97.8 | Very high | 142 Ų | 142 | 50.9 Ų | 50.9 | 62% | 0.617 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -4.7 | 179.8 | -65 | 178.3 | -175.7 | 179.4 | 0 | 113.4 | F156 N157 L158 V200 | F156-K160 WeakPolarHBondContact O-CG 3.08Å; N157-K160 PolarHBondContact O-N 3.1Å; L158-K160 PolarHBondContact O-N 3.17Å; K160-V200 HydrophobicContact CB-CG1 3.72Å |
| 161 | L | 98.2 | Very high | 97.7 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -66.5 | 162.5 | 172.3 | -62.6 | 178.9 | 0 | 0 | 0 | 110.3 | N157 L158 L165 F169 G198 W199 V200 I209 | N157-L161 PolarHBondContact O-N 2.84Å; L158-L161 HydrophobicContact CD1-CD1 4.2Å; L158-L161 PolarHBondContact O-N 3.31Å; L161-L165 HydrophobicContact CB-CB 3.94Å; L161-L165 HydrophobicContact CD1-CB 4.11Å; L161-L165 HydrophobicContact CD2-CD1 4.3Å; L161-F169 HydrophobicContact CD1-CD2 3.59Å; L161-F169 HydrophobicContact CD1-CE2 3.75Å; L161-G198 WeakPolarHBondContact CA-O 3.46Å; L161-W199 HydrophobicContact CD2-CE3 3.85Å; L161-W199 HydrophobicContact CD2-CZ3 4.39Å; L161-V200 HydrophobicContact CD2-CG1 4.21Å; L161-I209 HydrophobicContact CD1-CD1 4.15Å |
| 162 | S | 98.1 | Very high | 97.6 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | trans | -56.4 | 154.5 | 164.7 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | D164 L165 Y166 G198 | S162-D164 VanDerWaalsContact C-N 3.26Å; S162-D164 PolarHBondContact O-N 2.87Å; S162-L165 PolarHBondContact O-N 3.4Å; S162-L165 WeakPolarHBondContact OG-CG 3.38Å; S162-L165 PolarHBondContact OG-N 2.99Å; S162-Y166 WeakPolarHBondContact O-CB 3.33Å; S162-Y166 PolarHBondContact O-N 3.1Å; S162-G198 PolarHBondContact N-O 3.2Å; S162-G198 VanDerWaalsContact N-O 3.09Å | ||
| 163 | D | 97.9 | Very high | 97.6 | Very high | 107 Ų | 107 | 61.5 Ų | 61.5 | 57% | 0.572 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58 | -40.1 | 179.8 | -71.2 | -34.3 | 0 | 0 | 0 | 111.4 | L165 Y166 E167 K287 | D163-L165 PolarHBondContact O-N 2.77Å; D163-Y166 PolarHBondContact O-N 3.02Å; D163-E167 WeakPolarHBondContact O-CB 3.22Å; D163-E167 VanDerWaalsContact O-CG 3.3Å; D163-E167 WeakPolarHBondContact O-CG 2.95Å; D163-E167 PolarHBondContact O-N 2.92Å; D163-K287 IonicContact OD1-NZ 3.61Å; D163-K287 PolarHBondContact OD1-NZ 2.53Å |
| 164 | D | 97.9 | Very high | 97.7 | Very high | 131 Ų | 131 | 61.8 Ų | 61.8 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 176.6 | -69.3 | -17.2 | 0 | 0 | 0 | 113.1 | S162 K168 | S162-D164 VanDerWaalsContact C-N 3.26Å; S162-D164 PolarHBondContact O-N 2.87Å; D164-K168 WeakPolarHBondContact O-CG 3.41Å; D164-K168 PolarHBondContact O-N 3.48Å; D164-K168 VanDerWaalsContact O-N 3.16Å |
| 165 | L | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.1 | -41.7 | 177.8 | -75.8 | 177.7 | 0 | 0 | 0 | 111.4 | L161 S162 D163 E167 K168 F169 L181 K197 G198 W199 | L161-L165 HydrophobicContact CB-CB 3.94Å; L161-L165 HydrophobicContact CD1-CB 4.11Å; L161-L165 HydrophobicContact CD2-CD1 4.3Å; S162-L165 PolarHBondContact O-N 3.4Å; S162-L165 WeakPolarHBondContact OG-CG 3.38Å; S162-L165 PolarHBondContact OG-N 2.99Å; D163-L165 PolarHBondContact O-N 2.77Å; L165-E167 PolarHBondContact O-N 2.91Å; L165-K168 WeakPolarHBondContact O-CB 3.31Å; L165-K168 PolarHBondContact O-N 2.75Å; L165-F169 VanDerWaalsContact O-CD2 3.24Å; L165-F169 WeakPolarHBondContact O-CD2 3.12Å; L165-F169 PolarHBondContact O-N 3.44Å; L165-F169 VanDerWaalsContact O-N 3.08Å; L165-L181 HydrophobicContact CD2-CD1 3.91Å; L165-K197 WeakPolarHBondContact CD1-O 3.24Å; L165-G198 VanDerWaalsContact CD1-C 3.46Å; L165-G198 WeakPolarHBondContact CD1-O 3.43Å; L165-W199 HydrophobicContact CD1-CD2 3.55Å; L165-W199 HydrophobicContact CD1-CE3 3.92Å; L165-W199 HydrophobicContact CD1-CG 3.9Å; L165-W199 HydrophobicContact CD1-CH2 4.43Å; L165-W199 HydrophobicContact CD1-CZ2 4.12Å; L165-W199 HydrophobicContact CD1-CZ3 4.34Å; L165-W199 HydrophobicContact CD2-CH2 3.91Å; L165-W199 HydrophobicContact CD2-CZ2 3.54Å |
| 166 | Y | 98.5 | Very high | 97.7 | Very high | 14 Ų | 14 | 67.6 Ų | 67.6 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56 | -50.9 | 175.8 | 170.9 | -92.3 | 0 | 0 | 0 | 110.8 | L158 L159 S162 D163 K168 F169 V170 S286 K287 | L158-Y166 HydrophobicContact CD1-CD2 4.08Å; L158-Y166 HydrophobicContact CD2-CE2 4.27Å; L158-Y166 HydrophobicContact CG-CD2 3.9Å; L158-Y166 HydrophobicContact CG-CE2 4.07Å; L159-Y166 HydrophobicContact CD2-CE2 4.1Å; S162-Y166 WeakPolarHBondContact O-CB 3.33Å; S162-Y166 PolarHBondContact O-N 3.1Å; D163-Y166 PolarHBondContact O-N 3.02Å; Y166-K168 VanDerWaalsContact C-N 3.33Å; Y166-K168 PolarHBondContact O-N 3.36Å; Y166-F169 PolarHBondContact O-N 3.37Å; Y166-F169 VanDerWaalsContact O-N 3.12Å; Y166-V170 HydrophobicContact CD1-CG2 4.28Å; Y166-V170 HydrophobicContact CD2-CG1 4.3Å; Y166-V170 HydrophobicContact CE1-CG1 4.19Å; Y166-V170 HydrophobicContact CE1-CG2 3.82Å; Y166-V170 HydrophobicContact CE2-CG1 3.73Å; Y166-V170 WeakPolarHBondContact O-CG2 3.35Å; Y166-V170 PolarHBondContact O-N 3.24Å; Y166-S286 WeakPolarHBondContact OH-CB 3.26Å; Y166-K287 HydrophobicContact CD1-CD 4.45Å; Y166-K287 HydrophobicContact CE1-CD 3.95Å; Y166-K287 HydrophobicContact CE1-CG 4.36Å; Y166-K287 HydrophobicContact CE2-CD 4.09Å; Y166-K287 HydrophobicContact CE2-CG 3.8Å; Y166-K287 WeakPolarHBondContact OH-CB 3.24Å; Y166-K287 PolarHBondContact OH-N 2.83Å |
| 167 | E | 98 | Very high | 97.8 | Very high | 112 Ų | 112 | 65.9 Ų | 65.9 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 179.5 | -70.2 | -55.2 | 143.8 | 0 | 0 | 112.2 | D163 L165 F169 G171 | D163-E167 WeakPolarHBondContact O-CB 3.22Å; D163-E167 VanDerWaalsContact O-CG 3.3Å; D163-E167 WeakPolarHBondContact O-CG 2.95Å; D163-E167 PolarHBondContact O-N 2.92Å; L165-E167 PolarHBondContact O-N 2.91Å; E167-F169 PolarHBondContact O-N 3.45Å; E167-G171 WeakPolarHBondContact O-CA 3.42Å; E167-G171 PolarHBondContact O-N 2.7Å |
| 168 | K | 97.8 | Very high | 97.8 | Very high | 102 Ų | 102 | 65 Ų | 65 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 172.4 | -75.3 | 178.2 | -179.2 | -174.6 | 0 | 112 | D164 L165 Y166 M173 L181 | D164-K168 WeakPolarHBondContact O-CG 3.41Å; D164-K168 PolarHBondContact O-N 3.48Å; D164-K168 VanDerWaalsContact O-N 3.16Å; L165-K168 WeakPolarHBondContact O-CB 3.31Å; L165-K168 PolarHBondContact O-N 2.75Å; Y166-K168 VanDerWaalsContact C-N 3.33Å; Y166-K168 PolarHBondContact O-N 3.36Å; K168-M173 HydrophobicContact CB-CE 3.86Å; K168-M173 WeakPolarHBondContact O-CE 3.45Å; K168-L181 HydrophobicContact CB-CD2 4.27Å; K168-L181 HydrophobicContact CD-CD1 4.18Å; K168-L181 HydrophobicContact CD-CD2 4.26Å |
| 169 | F | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.4 | -38.2 | -177.6 | -82 | -68.4 | 0 | 0 | 0 | 113.3 | L158 L161 L165 Y166 E167 L178 L181 M182 W199 I209 K213 W285 | L158-F169 HydrophobicContact CD1-CB 3.56Å; L158-F169 HydrophobicContact CD1-CD2 4.3Å; L158-F169 HydrophobicContact CD1-CG 4.14Å; L161-F169 HydrophobicContact CD1-CD2 3.59Å; L161-F169 HydrophobicContact CD1-CE2 3.75Å; L165-F169 VanDerWaalsContact O-CD2 3.24Å; L165-F169 WeakPolarHBondContact O-CD2 3.12Å; L165-F169 PolarHBondContact O-N 3.44Å; L165-F169 VanDerWaalsContact O-N 3.08Å; Y166-F169 PolarHBondContact O-N 3.37Å; Y166-F169 VanDerWaalsContact O-N 3.12Å; E167-F169 PolarHBondContact O-N 3.45Å; F169-L178 HydrophobicContact CD1-CD1 4.31Å; F169-L178 HydrophobicContact CE1-CD1 3.71Å; F169-L181 HydrophobicContact CD2-CD2 4.44Å; F169-L181 HydrophobicContact CE1-CD2 4.18Å; F169-L181 HydrophobicContact CE2-CD2 3.89Å; F169-L181 HydrophobicContact CZ-CD2 3.75Å; F169-L181 HydrophobicContact CZ-CG 4.41Å; F169-M182 HydrophobicContact CE1-SD 4.41Å; F169-M182 HydrophobicContact CZ-SD 4.15Å; F169-W199 AromaticContact CE2-CH2 3.62Å; F169-W199 HydrophobicContact CE2-CH2 3.62Å; F169-W199 AromaticContact CE2-CZ3 3.55Å; F169-W199 HydrophobicContact CE2-CZ3 3.55Å; F169-W199 AromaticContact CZ-CH2 3.75Å; F169-W199 HydrophobicContact CZ-CH2 3.75Å; F169-W199 AromaticContact CZ-CZ3 3.83Å; F169-W199 HydrophobicContact CZ-CZ3 3.83Å; F169-I209 HydrophobicContact CD1-CG2 3.53Å; F169-I209 HydrophobicContact CD2-CG2 3.96Å; F169-I209 HydrophobicContact CE1-CG2 3.48Å; F169-I209 VanDerWaalsContact CE1-CG2 3.48Å; F169-I209 HydrophobicContact CE2-CG2 3.93Å; F169-I209 HydrophobicContact CG-CG2 3.78Å; F169-I209 HydrophobicContact CZ-CG2 3.69Å; F169-K213 HydrophobicContact CD1-CB 4.08Å; F169-K213 HydrophobicContact CD1-CG 4.14Å; F169-K213 VanDerWaalsContact O-CD 3.26Å; F169-K213 WeakPolarHBondContact O-CD 3.39Å; F169-K213 WeakPolarHBondContact O-CE 3.46Å; F169-K213 PolarHBondContact O-NZ 2.91Å; F169-W285 HydrophobicContact CB-CH2 4.24Å; F169-W285 HydrophobicContact CB-CZ3 4.42Å; F169-W285 HydrophobicContact CD1-CH2 4.49Å |
| 170 | V | 97.1 | Very high | 97.9 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -82.7 | -22.1 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | L158 Y166 | L158-V170 HydrophobicContact CD2-CG1 4.13Å; Y166-V170 HydrophobicContact CD1-CG2 4.28Å; Y166-V170 HydrophobicContact CD2-CG1 4.3Å; Y166-V170 HydrophobicContact CE1-CG1 4.19Å; Y166-V170 HydrophobicContact CE1-CG2 3.82Å; Y166-V170 HydrophobicContact CE2-CG1 3.73Å; Y166-V170 WeakPolarHBondContact O-CG2 3.35Å; Y166-V170 PolarHBondContact O-N 3.24Å |
| 171 | G | 96.7 | Very high | 97.9 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -74.9 | -173.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E167 K213 | E167-G171 WeakPolarHBondContact O-CA 3.42Å; E167-G171 PolarHBondContact O-N 2.7Å; G171-K213 PolarHBondContact O-NZ 3.4Å |
| 172 | Q | 95.6 | Very high | 97.9 | Very high | 205 Ų | 205 | 61 Ų | 61 | 96% | 0.958 | 31% | 0.308 | S | S | * | . | trans | -76.3 | 133.7 | 173.1 | -70 | -175.4 | -20.8 | 0 | 0 | 110.3 | ||||
| 173 | M | 96.4 | Very high | 97.9 | Very high | 28 Ų | 28 | 63.8 Ų | 63.8 | 14% | 0.138 | 32% | 0.317 | C | S | . | . | trans | -156.8 | 140.9 | -178.5 | -176.6 | -175.1 | -78.4 | 0 | 0 | 108.3 | K168 E177 L178 L181 I217 | K168-M173 HydrophobicContact CB-CE 3.86Å; K168-M173 WeakPolarHBondContact O-CE 3.45Å; M173-E177 WeakPolarHBondContact CA-OE2 3.34Å; M173-E177 HydrophobicContact CG-CB 3.6Å; M173-L178 HydrophobicContact CG-CB 4.27Å; M173-L178 VanDerWaalsContact SD-CA 3.51Å; M173-L178 HydrophobicContact SD-CB 3.63Å; M173-L178 HydrophobicContact SD-CD1 3.77Å; M173-L178 HydrophobicContact SD-CG 4.28Å; M173-L181 HydrophobicContact CE-CD2 3.71Å; M173-I217 VanDerWaalsContact O-CD1 3.3Å; M173-I217 WeakPolarHBondContact O-CD1 3.33Å; M173-I217 WeakPolarHBondContact O-CG1 3.3Å | ||
| 174 | N | 97.7 | Very high | 98 | Very high | 75 Ų | 75 | 63.3 Ų | 63.3 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | trans | -93.8 | 171.2 | 172.6 | 69.3 | 54.9 | 0 | 0 | 0 | 111.7 | F176 E177 L178 | N174-F176 VanDerWaalsContact C-N 3.28Å; N174-F176 PolarHBondContact O-N 2.79Å; N174-F176 WeakPolarHBondContact OD1-CA 3.23Å; N174-F176 VanDerWaalsContact OD1-CB 3.27Å; N174-F176 WeakPolarHBondContact OD1-CB 3.3Å; N174-F176 PolarHBondContact OD1-N 3.24Å; N174-E177 VanDerWaalsContact CG-OE2 3.32Å; N174-E177 PolarHBondContact N-OE2 3.27Å; N174-E177 VanDerWaalsContact ND2-CD 3.28Å; N174-E177 PolarHBondContact ND2-OE2 3.12Å; N174-E177 VanDerWaalsContact ND2-OE2 3.08Å; N174-E177 PolarHBondContact O-N 2.69Å; N174-E177 PolarHBondContact OD1-N 2.85Å; N174-L178 WeakPolarHBondContact O-CB 3.29Å; N174-L178 PolarHBondContact O-N 3.25Å | ||
| 175 | L | 98 | Very high | 98 | Very high | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -32.7 | -177.9 | -72 | 176.2 | 0 | 0 | 0 | 113.1 | I130 E134 L178 K179 A214 I217 F218 M221 | I130-L175 HydrophobicContact CG2-CD2 3.99Å; E134-L175 HydrophobicContact CG-CD1 3.91Å; L175-L178 PolarHBondContact O-N 3.24Å; L175-K179 WeakPolarHBondContact O-CB 3.18Å; L175-K179 VanDerWaalsContact O-CG 3.28Å; L175-K179 WeakPolarHBondContact O-CG 3.43Å; L175-K179 PolarHBondContact O-N 3.26Å; L175-A214 HydrophobicContact CD2-CB 4.14Å; L175-I217 HydrophobicContact CD2-CB 4.07Å; L175-I217 HydrophobicContact CD2-CD1 4.19Å; L175-I217 HydrophobicContact CD2-CG2 3.89Å; L175-I217 HydrophobicContact CG-CB 4.47Å; L175-I217 HydrophobicContact CG-CG2 3.73Å; L175-F218 HydrophobicContact CD1-CD1 4.04Å; L175-F218 HydrophobicContact CD1-CE1 3.41Å; L175-F218 VanDerWaalsContact CD1-CE1 3.41Å; L175-F218 HydrophobicContact CD1-CZ 3.85Å; L175-F218 HydrophobicContact CD2-CE1 4.43Å; L175-F218 HydrophobicContact CD2-CZ 4.28Å; L175-M221 HydrophobicContact CD1-CE 4.34Å; L175-M221 HydrophobicContact CD1-SD 3.88Å; L175-M221 HydrophobicContact CG-SD 4.26Å |
| 176 | F | 98 | Very high | 98 | Very high | 136 Ų | 136 | 57.5 Ų | 57.5 | 60% | 0.596 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.9 | -51.2 | 178.4 | 175.9 | -92.8 | 0 | 0 | 0 | 110.7 | N174 L178 K179 E180 | N174-F176 VanDerWaalsContact C-N 3.28Å; N174-F176 PolarHBondContact O-N 2.79Å; N174-F176 WeakPolarHBondContact OD1-CA 3.23Å; N174-F176 VanDerWaalsContact OD1-CB 3.27Å; N174-F176 WeakPolarHBondContact OD1-CB 3.3Å; N174-F176 PolarHBondContact OD1-N 3.24Å; F176-L178 VanDerWaalsContact C-N 3.27Å; F176-L178 PolarHBondContact O-N 3.13Å; F176-K179 PolarHBondContact O-N 3.16Å; F176-K179 VanDerWaalsContact O-N 3.12Å; F176-E180 HydrophobicContact CD1-CG 4.41Å; F176-E180 HydrophobicContact CE1-CG 4Å; F176-E180 WeakPolarHBondContact CE1-OE1 3.33Å; F176-E180 WeakPolarHBondContact CE1-OE2 3.4Å; F176-E180 VanDerWaalsContact CZ-CD 3.48Å; F176-E180 HydrophobicContact CZ-CG 4.06Å; F176-E180 VanDerWaalsContact CZ-OE1 3.26Å; F176-E180 WeakPolarHBondContact CZ-OE1 3.41Å; F176-E180 PolarHBondContact O-N 3Å |
| 177 | E | 98.5 | Very high | 98 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -38.7 | 175.6 | -67.9 | 169 | 143.3 | 0 | 0 | 111.8 | M173 N174 L181 | M173-E177 WeakPolarHBondContact CA-OE2 3.34Å; M173-E177 HydrophobicContact CG-CB 3.6Å; N174-E177 VanDerWaalsContact CG-OE2 3.32Å; N174-E177 PolarHBondContact N-OE2 3.27Å; N174-E177 VanDerWaalsContact ND2-CD 3.28Å; N174-E177 PolarHBondContact ND2-OE2 3.12Å; N174-E177 VanDerWaalsContact ND2-OE2 3.08Å; N174-E177 PolarHBondContact O-N 2.69Å; N174-E177 PolarHBondContact OD1-N 2.85Å; E177-L181 WeakPolarHBondContact O-CB 3.44Å; E177-L181 PolarHBondContact O-N 3.16Å |
| 178 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.7 | -179.4 | 61.4 | 0 | 0 | 0 | 111.7 | F126 F169 M173 N174 L175 F176 L181 M182 K213 A214 I217 | F126-L178 HydrophobicContact CE2-CD2 3.73Å; F126-L178 HydrophobicContact CE2-CG 3.92Å; F126-L178 HydrophobicContact CZ-CD2 4.03Å; F126-L178 HydrophobicContact CZ-CG 3.77Å; F169-L178 HydrophobicContact CD1-CD1 4.31Å; F169-L178 HydrophobicContact CE1-CD1 3.71Å; M173-L178 HydrophobicContact CG-CB 4.27Å; M173-L178 VanDerWaalsContact SD-CA 3.51Å; M173-L178 HydrophobicContact SD-CB 3.63Å; M173-L178 HydrophobicContact SD-CD1 3.77Å; M173-L178 HydrophobicContact SD-CG 4.28Å; N174-L178 WeakPolarHBondContact O-CB 3.29Å; N174-L178 PolarHBondContact O-N 3.25Å; L175-L178 PolarHBondContact O-N 3.24Å; F176-L178 VanDerWaalsContact C-N 3.27Å; F176-L178 PolarHBondContact O-N 3.13Å; L178-L181 PolarHBondContact O-N 3.3Å; L178-M182 HydrophobicContact CD1-CG 4.2Å; L178-M182 HydrophobicContact CG-CG 4.49Å; L178-M182 WeakPolarHBondContact O-CG 3.49Å; L178-M182 PolarHBondContact O-N 2.86Å; L178-K213 HydrophobicContact CD1-CB 4.15Å; L178-K213 HydrophobicContact CD1-CG 3.84Å; L178-K213 HydrophobicContact CD2-CB 4.13Å; L178-K213 HydrophobicContact CD2-CG 3.93Å; L178-K213 HydrophobicContact CG-CG 4.47Å; L178-A214 HydrophobicContact CD2-CB 3.68Å; L178-I217 HydrophobicContact CB-CD1 4.15Å; L178-I217 HydrophobicContact CD2-CD1 3.83Å |
| 179 | K | 98.7 | Very high | 98.1 | Very high | 44 Ų | 44 | 52.4 Ų | 52.4 | 19% | 0.191 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 177.5 | -74.7 | 178.5 | -172.5 | -170.7 | 0 | 111 | F126 D131 E134 L175 F176 L181 M182 E183 | F126-K179 HydrophobicContact CE1-CG 4.2Å; F126-K179 HydrophobicContact CZ-CG 4.14Å; D131-K179 IonicContact OD1-NZ 2.75Å; D131-K179 PolarHBondContact OD1-NZ 3.29Å; E134-K179 WeakPolarHBondContact OE2-CE 3.06Å; E134-K179 IonicContact OE2-NZ 2.72Å; E134-K179 PolarHBondContact OE2-NZ 3.42Å; L175-K179 WeakPolarHBondContact O-CB 3.18Å; L175-K179 VanDerWaalsContact O-CG 3.28Å; L175-K179 WeakPolarHBondContact O-CG 3.43Å; L175-K179 PolarHBondContact O-N 3.26Å; F176-K179 PolarHBondContact O-N 3.16Å; F176-K179 VanDerWaalsContact O-N 3.12Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 3.47Å; K179-M182 PolarHBondContact O-N 3.34Å; K179-E183 WeakPolarHBondContact O-CG 3.39Å; K179-E183 PolarHBondContact O-N 3.09Å |
| 180 | E | 98.5 | Very high | 98.1 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 42% | 0.416 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 175.2 | -71.6 | -171.6 | 131.8 | 0 | 0 | 111.8 | F176 M182 E183 E184 | F176-E180 HydrophobicContact CD1-CG 4.41Å; F176-E180 HydrophobicContact CE1-CG 4Å; F176-E180 WeakPolarHBondContact CE1-OE1 3.33Å; F176-E180 WeakPolarHBondContact CE1-OE2 3.4Å; F176-E180 VanDerWaalsContact CZ-CD 3.48Å; F176-E180 HydrophobicContact CZ-CG 4.06Å; F176-E180 VanDerWaalsContact CZ-OE1 3.26Å; F176-E180 WeakPolarHBondContact CZ-OE1 3.41Å; F176-E180 PolarHBondContact O-N 3Å; E180-M182 VanDerWaalsContact C-N 3.31Å; E180-M182 PolarHBondContact O-N 3.03Å; E180-E183 WeakPolarHBondContact O-CB 3.47Å; E180-E183 PolarHBondContact O-N 3.47Å; E180-E184 WeakPolarHBondContact O-CG 3.15Å; E180-E184 PolarHBondContact O-N 3.47Å |
| 181 | L | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 179.4 | -174 | 63.4 | 0 | 0 | 0 | 112.5 | L165 K168 F169 M173 E177 L178 K179 E184 F185 W199 | L165-L181 HydrophobicContact CD2-CD1 3.91Å; K168-L181 HydrophobicContact CB-CD2 4.27Å; K168-L181 HydrophobicContact CD-CD1 4.18Å; K168-L181 HydrophobicContact CD-CD2 4.26Å; F169-L181 HydrophobicContact CD2-CD2 4.44Å; F169-L181 HydrophobicContact CE1-CD2 4.18Å; F169-L181 HydrophobicContact CE2-CD2 3.89Å; F169-L181 HydrophobicContact CZ-CD2 3.75Å; F169-L181 HydrophobicContact CZ-CG 4.41Å; M173-L181 HydrophobicContact CE-CD2 3.71Å; E177-L181 WeakPolarHBondContact O-CB 3.44Å; E177-L181 PolarHBondContact O-N 3.16Å; L178-L181 PolarHBondContact O-N 3.3Å; K179-L181 VanDerWaalsContact C-N 3.34Å; K179-L181 PolarHBondContact O-N 3.47Å; L181-E184 WeakPolarHBondContact O-CB 3.46Å; L181-E184 PolarHBondContact O-N 3.47Å; L181-F185 PolarHBondContact O-N 3.04Å; L181-F185 VanDerWaalsContact O-N 3.12Å; L181-W199 HydrophobicContact CD1-CH2 4.12Å; L181-W199 HydrophobicContact CD1-CZ2 3.77Å; L181-W199 HydrophobicContact CD2-CH2 4.3Å; L181-W199 HydrophobicContact CG-CH2 3.84Å; L181-W199 HydrophobicContact CG-CZ2 3.97Å |
| 182 | M | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.8 | -34.3 | 176.2 | -66.9 | -61.3 | -59.6 | 0 | 0 | 112 | V122 F126 F169 L178 K179 E180 F185 V186 V206 | V122-M182 HydrophobicContact CG1-CB 4.31Å; V122-M182 HydrophobicContact CG1-CE 3.96Å; V122-M182 HydrophobicContact CG2-CE 4.23Å; F126-M182 HydrophobicContact CB-CE 4.45Å; F126-M182 HydrophobicContact CD1-CB 3.77Å; F126-M182 HydrophobicContact CD1-CE 4.21Å; F126-M182 HydrophobicContact CD1-CG 3.8Å; F126-M182 HydrophobicContact CD2-CG 4.45Å; F126-M182 HydrophobicContact CE1-CB 3.47Å; F126-M182 VanDerWaalsContact CE1-CB 3.47Å; F126-M182 HydrophobicContact CE1-CG 3.45Å; F126-M182 VanDerWaalsContact CE1-CG 3.45Å; F126-M182 HydrophobicContact CE2-CG 4.12Å; F126-M182 HydrophobicContact CG-CE 4.16Å; F126-M182 HydrophobicContact CG-CG 4.3Å; F126-M182 HydrophobicContact CZ-CB 4.15Å; F126-M182 HydrophobicContact CZ-CG 3.63Å; F169-M182 HydrophobicContact CE1-SD 4.41Å; F169-M182 HydrophobicContact CZ-SD 4.15Å; L178-M182 HydrophobicContact CD1-CG 4.2Å; L178-M182 HydrophobicContact CG-CG 4.49Å; L178-M182 WeakPolarHBondContact O-CG 3.49Å; L178-M182 PolarHBondContact O-N 2.86Å; K179-M182 PolarHBondContact O-N 3.34Å; E180-M182 VanDerWaalsContact C-N 3.31Å; E180-M182 PolarHBondContact O-N 3.03Å; M182-F185 WeakPolarHBondContact O-CB 3.5Å; M182-F185 PolarHBondContact O-N 3.23Å; M182-V186 WeakPolarHBondContact O-CG2 3.37Å; M182-V186 PolarHBondContact O-N 3.44Å; M182-V186 VanDerWaalsContact O-N 3.15Å; M182-V206 HydrophobicContact CE-CG1 3.82Å; M182-V206 WeakPolarHBondContact CE-O 3.21Å; M182-V206 HydrophobicContact SD-CG1 4.21Å |
| 183 | E | 98.6 | Very high | 98.3 | Very high | 100 Ų | 100 | 52 Ų | 52 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 170.5 | -73.2 | 179.9 | -163.4 | 0 | 0 | 112.4 | K179 E180 F185 V186 K187 | K179-E183 WeakPolarHBondContact O-CG 3.39Å; K179-E183 PolarHBondContact O-N 3.09Å; E180-E183 WeakPolarHBondContact O-CB 3.47Å; E180-E183 PolarHBondContact O-N 3.47Å; E183-F185 VanDerWaalsContact C-N 3.32Å; E183-F185 PolarHBondContact O-N 3.36Å; E183-V186 PolarHBondContact O-N 3.02Å; E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 3.16Å; E183-K187 IonicContact OE2-NZ 2.68Å |
| 184 | E | 98.4 | Very high | 98.4 | Very high | 96 Ų | 96 | 53.2 Ų | 53.2 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 173.1 | -75.2 | 180 | -177 | 0 | 0 | 111.7 | E180 L181 K187 S188 | E180-E184 WeakPolarHBondContact O-CG 3.15Å; E180-E184 PolarHBondContact O-N 3.47Å; L181-E184 WeakPolarHBondContact O-CB 3.46Å; L181-E184 PolarHBondContact O-N 3.47Å; E184-K187 PolarHBondContact O-N 3.05Å; E184-S188 WeakPolarHBondContact O-CB 3.32Å; E184-S188 PolarHBondContact O-N 3.45Å; E184-S188 PolarHBondContact O-OG 3.37Å |
| 185 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 172.4 | 166.3 | -109.7 | 0 | 0 | 0 | 111.2 | F114 A118 V122 L181 M182 E183 K187 S188 A189 W199 V206 | F114-F185 HydrophobicContact CE1-CE2 4.39Å; F114-F185 HydrophobicContact CE1-CZ 4.43Å; F114-F185 HydrophobicContact CZ-CE2 4.21Å; F114-F185 AromaticContact CZ-CZ 3.98Å; F114-F185 HydrophobicContact CZ-CZ 3.98Å; A118-F185 HydrophobicContact CB-CE1 3.87Å; A118-F185 HydrophobicContact CB-CZ 4.15Å; V122-F185 HydrophobicContact CG2-CD1 3.87Å; V122-F185 HydrophobicContact CG2-CE1 3.79Å; L181-F185 PolarHBondContact O-N 3.04Å; L181-F185 VanDerWaalsContact O-N 3.12Å; M182-F185 WeakPolarHBondContact O-CB 3.5Å; M182-F185 PolarHBondContact O-N 3.23Å; E183-F185 VanDerWaalsContact C-N 3.32Å; E183-F185 PolarHBondContact O-N 3.36Å; F185-K187 PolarHBondContact O-N 3Å; F185-S188 WeakPolarHBondContact CA-OG 3.44Å; F185-S188 PolarHBondContact O-N 3.03Å; F185-S188 VanDerWaalsContact O-N 3.14Å; F185-S188 PolarHBondContact O-OG 3.19Å; F185-A189 PolarHBondContact O-N 3.01Å; F185-W199 HydrophobicContact CB-CD2 3.99Å; F185-W199 HydrophobicContact CB-CE3 4.26Å; F185-W199 HydrophobicContact CB-CH2 4.09Å; F185-W199 HydrophobicContact CB-CZ2 3.81Å; F185-W199 HydrophobicContact CB-CZ3 4.3Å; F185-W199 HydrophobicContact CD2-CB 3.86Å; F185-W199 AromaticContact CD2-CD2 3.66Å; F185-W199 HydrophobicContact CD2-CD2 3.66Å; F185-W199 AromaticContact CD2-CE3 3.91Å; F185-W199 HydrophobicContact CD2-CE3 3.91Å; F185-W199 AromaticContact CD2-CG 3.64Å; F185-W199 HydrophobicContact CD2-CG 3.64Å; F185-W199 HydrophobicContact CE2-CB 4.14Å; F185-W199 HydrophobicContact CE2-CG 4.4Å; F185-W199 HydrophobicContact CG-CD2 4.2Å; F185-W199 HydrophobicContact CG-CE3 4.3Å; F185-V206 HydrophobicContact CB-CG1 4.29Å; F185-V206 HydrophobicContact CD1-CB 4.1Å; F185-V206 HydrophobicContact CD1-CG1 3.44Å; F185-V206 VanDerWaalsContact CD1-CG1 3.44Å; F185-V206 HydrophobicContact CD2-CG1 3.98Å; F185-V206 HydrophobicContact CD2-CG2 4.27Å; F185-V206 HydrophobicContact CE1-CB 3.76Å; F185-V206 HydrophobicContact CE1-CG1 3.66Å; F185-V206 HydrophobicContact CE1-CG2 4.29Å; F185-V206 HydrophobicContact CE2-CB 4.2Å; F185-V206 HydrophobicContact CE2-CG1 4.17Å; F185-V206 HydrophobicContact CE2-CG2 3.82Å; F185-V206 HydrophobicContact CG-CB 4.45Å; F185-V206 HydrophobicContact CG-CG1 3.61Å; F185-V206 HydrophobicContact CZ-CB 3.82Å; F185-V206 HydrophobicContact CZ-CG1 4.02Å; F185-V206 HydrophobicContact CZ-CG2 3.83Å |
| 186 | V | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58 | -49.7 | 179.6 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | R119 V122 M182 E183 S188 A189 E190 | R119-V186 HydrophobicContact CB-CG1 3.85Å; R119-V186 HydrophobicContact CG-CG1 4.3Å; V122-V186 HydrophobicContact CB-CG2 3.75Å; V122-V186 HydrophobicContact CG1-CG2 3.87Å; V122-V186 HydrophobicContact CG2-CG2 3.92Å; M182-V186 WeakPolarHBondContact O-CG2 3.37Å; M182-V186 PolarHBondContact O-N 3.44Å; M182-V186 VanDerWaalsContact O-N 3.15Å; E183-V186 PolarHBondContact O-N 3.02Å; V186-S188 VanDerWaalsContact C-N 3.26Å; V186-S188 PolarHBondContact O-N 2.68Å; V186-A189 WeakPolarHBondContact O-CB 3.42Å; V186-A189 PolarHBondContact O-N 3.1Å; V186-E190 WeakPolarHBondContact O-CG 3.32Å; V186-E190 PolarHBondContact O-N 3.24Å |
| 187 | K | 98.7 | Very high | 98.4 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57 | -41.7 | 176.9 | -70.7 | 166.4 | -174.6 | 157.4 | 0 | 111.5 | E183 E184 F185 A189 E190 D191 | E183-K187 WeakPolarHBondContact O-CG 3.32Å; E183-K187 PolarHBondContact O-N 3.16Å; E183-K187 IonicContact OE2-NZ 2.68Å; E184-K187 PolarHBondContact O-N 3.05Å; F185-K187 PolarHBondContact O-N 3Å; K187-A189 VanDerWaalsContact C-N 3.33Å; K187-A189 PolarHBondContact O-N 3.3Å; K187-E190 PolarHBondContact O-N 2.99Å; K187-D191 PolarHBondContact O-N 2.88Å |
| 188 | S | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70 | -26.8 | 178.1 | 76.8 | 0 | 0 | 0 | 0 | 114.5 | E184 F185 V186 D191 G192 T193 Y194 | E184-S188 WeakPolarHBondContact O-CB 3.32Å; E184-S188 PolarHBondContact O-N 3.45Å; E184-S188 PolarHBondContact O-OG 3.37Å; F185-S188 WeakPolarHBondContact CA-OG 3.44Å; F185-S188 PolarHBondContact O-N 3.03Å; F185-S188 VanDerWaalsContact O-N 3.14Å; F185-S188 PolarHBondContact O-OG 3.19Å; V186-S188 VanDerWaalsContact C-N 3.26Å; V186-S188 PolarHBondContact O-N 2.68Å; S188-D191 WeakPolarHBondContact CA-OD1 3.27Å; S188-G192 CarbonylContact O-C 3.56Å; S188-G192 PolarHBondContact O-N 3.33Å; S188-G192 VanDerWaalsContact O-N 3.13Å; S188-T193 PolarHBondContact O-N 2.66Å; S188-Y194 PolarHBondContact O-N 2.87Å; S188-Y194 WeakPolarHBondContact OG-CA 3.43Å; S188-Y194 VanDerWaalsContact OG-CB 3.29Å; S188-Y194 WeakPolarHBondContact OG-CB 3.35Å |
| 189 | A | 98.5 | Very high | 98.4 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75.8 | -37.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | F114 G115 A118 F185 V186 K187 | F114-A189 HydrophobicContact CD1-CB 3.65Å; F114-A189 HydrophobicContact CE1-CB 3.58Å; G115-A189 VanDerWaalsContact CA-C 3.48Å; G115-A189 WeakPolarHBondContact CA-O 3.49Å; G115-A189 PolarHBondContact N-O 3.37Å; A118-A189 HydrophobicContact CB-CB 3.37Å; F185-A189 PolarHBondContact O-N 3.01Å; V186-A189 WeakPolarHBondContact O-CB 3.42Å; V186-A189 PolarHBondContact O-N 3.1Å; K187-A189 VanDerWaalsContact C-N 3.33Å; K187-A189 PolarHBondContact O-N 3.3Å |
| 190 | E | 98.3 | Very high | 98.3 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.6 | -39.9 | 176 | -69.4 | 177.3 | 149.3 | 0 | 0 | 112.9 | R119 V186 K187 | R119-E190 WeakPolarHBondContact CD-OE1 3.39Å; V186-E190 WeakPolarHBondContact O-CG 3.32Å; V186-E190 PolarHBondContact O-N 3.24Å; K187-E190 PolarHBondContact O-N 2.99Å |
| 191 | D | 98 | Very high | 98.2 | Very high | 91 Ų | 91 | 55.3 Ų | 55.3 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -7.2 | 178.2 | 71.7 | 19.7 | 0 | 0 | 0 | 114 | K187 S188 T193 K197 | K187-D191 PolarHBondContact O-N 2.88Å; S188-D191 WeakPolarHBondContact CA-OD1 3.27Å; D191-T193 VanDerWaalsContact CG-OG1 3.25Å; D191-T193 VanDerWaalsContact OD1-CB 3.24Å; D191-T193 WeakPolarHBondContact OD1-CB 3.22Å; D191-T193 WeakPolarHBondContact OD1-CG2 3.39Å; D191-T193 PolarHBondContact OD1-N 2.97Å; D191-T193 PolarHBondContact OD1-OG1 3.14Å; D191-T193 PolarHBondContact OD2-OG1 2.86Å; D191-K197 IonicContact OD2-NZ 3.06Å; D191-K197 PolarHBondContact OD2-NZ 3.45Å |
| 192 | G | 97.9 | Very high | 98.2 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 51% | 0.505 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 4.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S188 | S188-G192 CarbonylContact O-C 3.56Å; S188-G192 PolarHBondContact O-N 3.33Å; S188-G192 VanDerWaalsContact O-N 3.13Å |
| 193 | T | 98.4 | Very high | 98.1 | Very high | 34 Ų | 34 | 57 Ų | 57 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | trans | -90.3 | 1.7 | -177.5 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | S188 D191 S195 E196 K197 | S188-T193 PolarHBondContact O-N 2.66Å; D191-T193 VanDerWaalsContact CG-OG1 3.25Å; D191-T193 VanDerWaalsContact OD1-CB 3.24Å; D191-T193 WeakPolarHBondContact OD1-CB 3.22Å; D191-T193 WeakPolarHBondContact OD1-CG2 3.39Å; D191-T193 PolarHBondContact OD1-N 2.97Å; D191-T193 PolarHBondContact OD1-OG1 3.14Å; D191-T193 PolarHBondContact OD2-OG1 2.86Å; T193-S195 VanDerWaalsContact C-N 3.28Å; T193-S195 PolarHBondContact O-N 2.93Å; T193-S195 VanDerWaalsContact O-N 3.17Å; T193-E196 WeakPolarHBondContact O-CB 2.94Å; T193-E196 PolarHBondContact O-N 3.25Å; T193-K197 PolarHBondContact O-N 3.43Å; T193-K197 VanDerWaalsContact OG1-CE 3.26Å; T193-K197 WeakPolarHBondContact OG1-CE 3.36Å; T193-K197 PolarHBondContact OG1-NZ 2.98Å | ||
| 194 | Y | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 21% | 0.212 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -42.8 | -174.8 | 69.7 | -88.8 | 0 | 0 | 0 | 113.6 | F114 S188 K197 G198 W199 | F114-Y194 AromaticContact CD1-CD1 3.72Å; F114-Y194 HydrophobicContact CD1-CD1 3.72Å; F114-Y194 AromaticContact CD1-CE1 3.56Å; F114-Y194 HydrophobicContact CD1-CE1 3.56Å; F114-Y194 HydrophobicContact CD1-CG 4.32Å; F114-Y194 AromaticContact CE1-CD1 3.58Å; F114-Y194 HydrophobicContact CE1-CD1 3.58Å; F114-Y194 AromaticContact CE1-CD2 3.91Å; F114-Y194 HydrophobicContact CE1-CD2 3.91Å; F114-Y194 AromaticContact CE1-CE1 3.68Å; F114-Y194 HydrophobicContact CE1-CE1 3.68Å; F114-Y194 HydrophobicContact CE1-CE2 4.02Å; F114-Y194 AromaticContact CE1-CG 3.69Å; F114-Y194 HydrophobicContact CE1-CG 3.69Å; F114-Y194 AromaticContact CE1-CZ 3.9Å; S188-Y194 PolarHBondContact O-N 2.87Å; S188-Y194 WeakPolarHBondContact OG-CA 3.43Å; S188-Y194 VanDerWaalsContact OG-CB 3.29Å; S188-Y194 WeakPolarHBondContact OG-CB 3.35Å; Y194-K197 CarbonylContact O-C 3.46Å; Y194-K197 PolarHBondContact O-N 3.2Å; Y194-G198 PolarHBondContact O-N 3.2Å; Y194-W199 HydrophobicContact CD2-CB 4.42Å; Y194-W199 WeakPolarHBondContact O-CB 3.4Å; Y194-W199 PolarHBondContact O-N 2.88Å |
| 195 | S | 97.6 | Very high | 98.1 | Very high | 86 Ų | 86 | 50 Ų | 50 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -41.6 | -179.8 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | T193 K197 G198 | T193-S195 VanDerWaalsContact C-N 3.28Å; T193-S195 PolarHBondContact O-N 2.93Å; T193-S195 VanDerWaalsContact O-N 3.17Å; S195-K197 VanDerWaalsContact C-N 3.27Å; S195-K197 PolarHBondContact O-N 3Å; S195-G198 PolarHBondContact O-N 2.72Å; S195-G198 VanDerWaalsContact O-N 3.07Å |
| 196 | E | 97.7 | Very high | 98.1 | Very high | 170 Ų | 170 | 50 Ų | 50 | 79% | 0.794 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -33 | 176.4 | -60.2 | 176.9 | 176.6 | 0 | 0 | 111.7 | T193 G198 | T193-E196 WeakPolarHBondContact O-CB 2.94Å; T193-E196 PolarHBondContact O-N 3.25Å; E196-G198 PolarHBondContact O-N 3.29Å |
| 197 | K | 97.9 | Very high | 98.1 | Very high | 101 Ų | 101 | 49.1 Ų | 49.1 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 1.4 | 174.1 | -68 | 177.1 | -178.1 | 154.9 | 0 | 113.6 | L165 D191 T193 Y194 S195 | L165-K197 WeakPolarHBondContact CD1-O 3.24Å; D191-K197 IonicContact OD2-NZ 3.06Å; D191-K197 PolarHBondContact OD2-NZ 3.45Å; T193-K197 PolarHBondContact O-N 3.43Å; T193-K197 VanDerWaalsContact OG1-CE 3.26Å; T193-K197 WeakPolarHBondContact OG1-CE 3.36Å; T193-K197 PolarHBondContact OG1-NZ 2.98Å; Y194-K197 CarbonylContact O-C 3.46Å; Y194-K197 PolarHBondContact O-N 3.2Å; S195-K197 VanDerWaalsContact C-N 3.27Å; S195-K197 PolarHBondContact O-N 3Å |
| 198 | G | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 8.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L161 S162 L165 Y194 S195 E196 | L161-G198 WeakPolarHBondContact CA-O 3.46Å; S162-G198 PolarHBondContact N-O 3.2Å; S162-G198 VanDerWaalsContact N-O 3.09Å; L165-G198 VanDerWaalsContact CD1-C 3.46Å; L165-G198 WeakPolarHBondContact CD1-O 3.43Å; Y194-G198 PolarHBondContact O-N 3.2Å; S195-G198 PolarHBondContact O-N 2.72Å; S195-G198 VanDerWaalsContact O-N 3.07Å; E196-G198 PolarHBondContact O-N 3.29Å |
| 199 | W | 98.5 | Very high | 98.1 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 5% | 0.045 | 25% | 0.249 | C | C | . | . | trans | -82.1 | 151.3 | 178.2 | -63.9 | 105.7 | 0 | 0 | 0 | 112.4 | L161 L165 F169 L181 F185 Y194 V206 | L161-W199 HydrophobicContact CD2-CE3 3.85Å; L161-W199 HydrophobicContact CD2-CZ3 4.39Å; L165-W199 HydrophobicContact CD1-CD2 3.55Å; L165-W199 HydrophobicContact CD1-CE3 3.92Å; L165-W199 HydrophobicContact CD1-CG 3.9Å; L165-W199 HydrophobicContact CD1-CH2 4.43Å; L165-W199 HydrophobicContact CD1-CZ2 4.12Å; L165-W199 HydrophobicContact CD1-CZ3 4.34Å; L165-W199 HydrophobicContact CD2-CH2 3.91Å; L165-W199 HydrophobicContact CD2-CZ2 3.54Å; F169-W199 AromaticContact CE2-CH2 3.62Å; F169-W199 HydrophobicContact CE2-CH2 3.62Å; F169-W199 AromaticContact CE2-CZ3 3.55Å; F169-W199 HydrophobicContact CE2-CZ3 3.55Å; F169-W199 AromaticContact CZ-CH2 3.75Å; F169-W199 HydrophobicContact CZ-CH2 3.75Å; F169-W199 AromaticContact CZ-CZ3 3.83Å; F169-W199 HydrophobicContact CZ-CZ3 3.83Å; L181-W199 HydrophobicContact CD1-CH2 4.12Å; L181-W199 HydrophobicContact CD1-CZ2 3.77Å; L181-W199 HydrophobicContact CD2-CH2 4.3Å; L181-W199 HydrophobicContact CG-CH2 3.84Å; L181-W199 HydrophobicContact CG-CZ2 3.97Å; F185-W199 HydrophobicContact CB-CD2 3.99Å; F185-W199 HydrophobicContact CB-CE3 4.26Å; F185-W199 HydrophobicContact CB-CH2 4.09Å; F185-W199 HydrophobicContact CB-CZ2 3.81Å; F185-W199 HydrophobicContact CB-CZ3 4.3Å; F185-W199 HydrophobicContact CD2-CB 3.86Å; F185-W199 AromaticContact CD2-CD2 3.66Å; F185-W199 HydrophobicContact CD2-CD2 3.66Å; F185-W199 AromaticContact CD2-CE3 3.91Å; F185-W199 HydrophobicContact CD2-CE3 3.91Å; F185-W199 AromaticContact CD2-CG 3.64Å; F185-W199 HydrophobicContact CD2-CG 3.64Å; F185-W199 HydrophobicContact CE2-CB 4.14Å; F185-W199 HydrophobicContact CE2-CG 4.4Å; F185-W199 HydrophobicContact CG-CD2 4.2Å; F185-W199 HydrophobicContact CG-CE3 4.3Å; Y194-W199 HydrophobicContact CD2-CB 4.42Å; Y194-W199 WeakPolarHBondContact O-CB 3.4Å; Y194-W199 PolarHBondContact O-N 2.88Å; W199-V206 HydrophobicContact CE3-CG1 4.04Å; W199-V206 HydrophobicContact CE3-CG2 4.25Å; W199-V206 HydrophobicContact CZ3-CG1 3.86Å | ||
| 200 | V | 97.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | trans | -78 | 153.9 | 170.6 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | N157 K160 L161 S202 V206 | N157-V200 HydrophobicContact CB-CG1 4.28Å; N157-V200 HydrophobicContact CB-CG2 3.99Å; K160-V200 HydrophobicContact CB-CG1 3.72Å; L161-V200 HydrophobicContact CD2-CG1 4.21Å; V200-S202 PolarHBondContact O-N 3.41Å; V200-V206 HydrophobicContact CG2-CG2 3.54Å | ||
| 201 | S | 96.5 | Very high | 98.1 | Very high | 85 Ų | 85 | 39 Ų | 39 | 59% | 0.594 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -79.8 | 46 | 177.3 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 202 | S | 97.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | trans | -143.5 | 100.6 | 179 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | V200 Y204 A205 V206 | V200-S202 PolarHBondContact O-N 3.41Å; S202-Y204 VanDerWaalsContact C-N 3.29Å; S202-Y204 PolarHBondContact O-N 3.34Å; S202-A205 PolarHBondContact O-N 3.05Å; S202-A205 WeakPolarHBondContact OG-CB 3.28Å; S202-A205 PolarHBondContact OG-N 3.19Å; S202-V206 WeakPolarHBondContact O-CG2 3.5Å; S202-V206 PolarHBondContact O-N 2.69Å | ||
| 203 | A | 98 | Very high | 98.2 | Very high | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.4 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F114 Q117 A118 S207 | F114-A203 HydrophobicContact CE2-CB 4.25Å; Q117-A203 HydrophobicContact CB-CB 4.4Å; A118-A203 HydrophobicContact CB-CB 4.22Å; A203-S207 WeakPolarHBondContact O-CB 3.29Å; A203-S207 PolarHBondContact O-N 3.35Å |
| 204 | Y | 98 | Very high | 98.2 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 20% | 0.2 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -51.1 | 176.6 | -178.7 | -91.1 | 0 | 0 | 0 | 111.8 | I104 A105 L153 S202 V206 S207 K208 M243 | I104-Y204 WeakPolarHBondContact O-CD2 3.49Å; A105-Y204 HydrophobicContact CB-CD2 3.65Å; A105-Y204 HydrophobicContact CB-CE2 4.08Å; A105-Y204 HydrophobicContact CB-CG 4.35Å; L153-Y204 HydrophobicContact CD1-CD1 3.98Å; L153-Y204 HydrophobicContact CD1-CE1 4.03Å; S202-Y204 VanDerWaalsContact C-N 3.29Å; S202-Y204 PolarHBondContact O-N 3.34Å; Y204-V206 PolarHBondContact O-N 3.26Å; Y204-S207 PolarHBondContact O-N 3.43Å; Y204-S207 PolarHBondContact O-OG 2.86Å; Y204-K208 HydrophobicContact CD1-CG 4.3Å; Y204-K208 HydrophobicContact CE1-CG 3.85Å; Y204-K208 HydrophobicContact CE2-CG 4.46Å; Y204-K208 PolarHBondContact O-N 3.01Å; Y204-M243 HydrophobicContact CE2-SD 4.13Å |
| 205 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L153 N157 S202 S207 K208 I209 | L153-A205 HydrophobicContact CB-CB 4.27Å; N157-A205 HydrophobicContact CB-CB 3.87Å; N157-A205 VanDerWaalsContact ND2-CB 3.31Å; N157-A205 WeakPolarHBondContact ND2-CB 3.4Å; S202-A205 PolarHBondContact O-N 3.05Å; S202-A205 WeakPolarHBondContact OG-CB 3.28Å; S202-A205 PolarHBondContact OG-N 3.19Å; A205-S207 PolarHBondContact O-N 3.29Å; A205-K208 CarbonylContact O-C 3.57Å; A205-K208 PolarHBondContact O-N 3.07Å; A205-K208 VanDerWaalsContact O-N 3.14Å; A205-I209 WeakPolarHBondContact O-CG1 3.15Å; A205-I209 PolarHBondContact O-N 3.07Å |
| 206 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 111 | M182 F185 W199 V200 S202 Y204 K208 I209 G210 | M182-V206 HydrophobicContact CE-CG1 3.82Å; M182-V206 WeakPolarHBondContact CE-O 3.21Å; M182-V206 HydrophobicContact SD-CG1 4.21Å; F185-V206 HydrophobicContact CB-CG1 4.29Å; F185-V206 HydrophobicContact CD1-CB 4.1Å; F185-V206 HydrophobicContact CD1-CG1 3.44Å; F185-V206 VanDerWaalsContact CD1-CG1 3.44Å; F185-V206 HydrophobicContact CD2-CG1 3.98Å; F185-V206 HydrophobicContact CD2-CG2 4.27Å; F185-V206 HydrophobicContact CE1-CB 3.76Å; F185-V206 HydrophobicContact CE1-CG1 3.66Å; F185-V206 HydrophobicContact CE1-CG2 4.29Å; F185-V206 HydrophobicContact CE2-CB 4.2Å; F185-V206 HydrophobicContact CE2-CG1 4.17Å; F185-V206 HydrophobicContact CE2-CG2 3.82Å; F185-V206 HydrophobicContact CG-CB 4.45Å; F185-V206 HydrophobicContact CG-CG1 3.61Å; F185-V206 HydrophobicContact CZ-CB 3.82Å; F185-V206 HydrophobicContact CZ-CG1 4.02Å; F185-V206 HydrophobicContact CZ-CG2 3.83Å; W199-V206 HydrophobicContact CE3-CG1 4.04Å; W199-V206 HydrophobicContact CE3-CG2 4.25Å; W199-V206 HydrophobicContact CZ3-CG1 3.86Å; V200-V206 HydrophobicContact CG2-CG2 3.54Å; S202-V206 WeakPolarHBondContact O-CG2 3.5Å; S202-V206 PolarHBondContact O-N 2.69Å; Y204-V206 PolarHBondContact O-N 3.26Å; V206-K208 PolarHBondContact O-N 3.03Å; V206-I209 WeakPolarHBondContact O-CB 3.42Å; V206-I209 PolarHBondContact O-N 3.04Å; V206-I209 VanDerWaalsContact O-N 3.07Å; V206-G210 PolarHBondContact O-N 3.35Å |
| 207 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56 | -39.6 | 174.2 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | N125 A203 Y204 A205 G210 V211 | N125-S207 WeakPolarHBondContact CB-OG 3.5Å; N125-S207 PolarHBondContact ND2-OG 3.31Å; A203-S207 WeakPolarHBondContact O-CB 3.29Å; A203-S207 PolarHBondContact O-N 3.35Å; Y204-S207 PolarHBondContact O-N 3.43Å; Y204-S207 PolarHBondContact O-OG 2.86Å; A205-S207 PolarHBondContact O-N 3.29Å; S207-G210 PolarHBondContact O-N 3.41Å; S207-V211 WeakPolarHBondContact O-CG2 3.27Å; S207-V211 PolarHBondContact O-N 3.02Å |
| 208 | K | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 14.6 Ų | 14.6 | 4% | 0.035 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.3 | -25.5 | 177.9 | -63.3 | -50.2 | -163.9 | 173.9 | 0 | 113.4 | V149 S150 S154 Y204 A205 V206 V211 T212 | V149-K208 PolarHBondContact O-NZ 2.86Å; S150-K208 PolarHBondContact OG-O 3.43Å; S154-K208 VanDerWaalsContact CB-C 3.46Å; S154-K208 VanDerWaalsContact CB-O 3.32Å; S154-K208 WeakPolarHBondContact CB-O 3.41Å; Y204-K208 HydrophobicContact CD1-CG 4.3Å; Y204-K208 HydrophobicContact CE1-CG 3.85Å; Y204-K208 HydrophobicContact CE2-CG 4.46Å; Y204-K208 PolarHBondContact O-N 3.01Å; A205-K208 CarbonylContact O-C 3.57Å; A205-K208 PolarHBondContact O-N 3.07Å; A205-K208 VanDerWaalsContact O-N 3.14Å; V206-K208 PolarHBondContact O-N 3.03Å; K208-V211 HydrophobicContact CD-CG2 4.41Å; K208-T212 WeakPolarHBondContact O-CB 3.35Å; K208-T212 PolarHBondContact O-N 3.2Å; K208-T212 PolarHBondContact O-OG1 2.87Å |
| 209 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.6 | -50.3 | 165.1 | -66.5 | 172.6 | 0 | 0 | 0 | 109 | S154 N157 L158 L161 F169 A205 V206 V211 T212 K213 W285 | S154-I209 VanDerWaalsContact O-CG1 3.31Å; S154-I209 WeakPolarHBondContact O-CG1 3.21Å; N157-I209 HydrophobicContact CB-CD1 4.19Å; L158-I209 HydrophobicContact CB-CD1 4.31Å; L158-I209 HydrophobicContact CB-CG1 4.47Å; L158-I209 HydrophobicContact CD1-CG2 4.41Å; L161-I209 HydrophobicContact CD1-CD1 4.15Å; F169-I209 HydrophobicContact CD1-CG2 3.53Å; F169-I209 HydrophobicContact CD2-CG2 3.96Å; F169-I209 HydrophobicContact CE1-CG2 3.48Å; F169-I209 VanDerWaalsContact CE1-CG2 3.48Å; F169-I209 HydrophobicContact CE2-CG2 3.93Å; F169-I209 HydrophobicContact CG-CG2 3.78Å; F169-I209 HydrophobicContact CZ-CG2 3.69Å; A205-I209 WeakPolarHBondContact O-CG1 3.15Å; A205-I209 PolarHBondContact O-N 3.07Å; V206-I209 WeakPolarHBondContact O-CB 3.42Å; V206-I209 PolarHBondContact O-N 3.04Å; V206-I209 VanDerWaalsContact O-N 3.07Å; I209-V211 PolarHBondContact O-N 2.89Å; I209-T212 PolarHBondContact O-N 3.28Å; I209-K213 WeakPolarHBondContact O-CB 3.18Å; I209-K213 PolarHBondContact O-N 2.89Å; I209-W285 HydrophobicContact CB-CZ2 4.38Å; I209-W285 HydrophobicContact CG2-CH2 3.89Å; I209-W285 HydrophobicContact CG2-CZ2 3.9Å |
| 210 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.7 | -49.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | F126 V206 S207 T212 K213 A214 | F126-G210 VanDerWaalsContact CD2-C 3.44Å; V206-G210 PolarHBondContact O-N 3.35Å; S207-G210 PolarHBondContact O-N 3.41Å; G210-T212 PolarHBondContact O-N 2.96Å; G210-K213 PolarHBondContact O-N 2.77Å; G210-A214 WeakPolarHBondContact O-CB 3.33Å; G210-A214 PolarHBondContact O-N 3.14Å |
| 211 | V | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | N125 N148 S207 K208 I209 A214 S215 | N125-V211 WeakPolarHBondContact O-CG2 3.36Å; N148-V211 HydrophobicContact CB-CG1 4.12Å; S207-V211 WeakPolarHBondContact O-CG2 3.27Å; S207-V211 PolarHBondContact O-N 3.02Å; K208-V211 HydrophobicContact CD-CG2 4.41Å; I209-V211 PolarHBondContact O-N 2.89Å; V211-A214 PolarHBondContact O-N 2.79Å; V211-S215 WeakPolarHBondContact O-CB 3.43Å; V211-S215 PolarHBondContact O-N 3.14Å |
| 212 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.9 | -45.8 | -179.9 | -48.4 | 0 | 0 | 0 | 0 | 110.4 | S150 S154 K208 I209 G210 S215 F216 F276 W285 | S150-T212 PolarHBondContact OG-OG1 3.47Å; S154-T212 WeakPolarHBondContact CB-OG1 3.23Å; S154-T212 PolarHBondContact OG-OG1 3.39Å; K208-T212 WeakPolarHBondContact O-CB 3.35Å; K208-T212 PolarHBondContact O-N 3.2Å; K208-T212 PolarHBondContact O-OG1 2.87Å; I209-T212 PolarHBondContact O-N 3.28Å; G210-T212 PolarHBondContact O-N 2.96Å; T212-S215 WeakPolarHBondContact O-CB 3.38Å; T212-S215 PolarHBondContact O-N 3.23Å; T212-F216 HydrophobicContact CG2-CD2 4.37Å; T212-F216 HydrophobicContact CG2-CE2 3.75Å; T212-F216 HydrophobicContact CG2-CZ 4.38Å; T212-F216 VanDerWaalsContact O-CD2 3.3Å; T212-F216 WeakPolarHBondContact O-CD2 3.49Å; T212-F216 PolarHBondContact O-N 3.48Å; T212-F276 HydrophobicContact CG2-CB 4.26Å; T212-F276 HydrophobicContact CG2-CD2 3.76Å; T212-F276 HydrophobicContact CG2-CE2 4.46Å; T212-F276 HydrophobicContact CG2-CG 4.21Å; T212-W285 HydrophobicContact CG2-CD2 3.77Å; T212-W285 HydrophobicContact CG2-CE3 4.46Å; T212-W285 HydrophobicContact CG2-CG 3.9Å; T212-W285 HydrophobicContact CG2-CZ2 4.04Å |
| 213 | K | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 7% | 0.065 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 176.9 | -179.7 | 54 | 172.3 | -166.9 | 0 | 112.3 | F169 G171 L178 I209 G210 S215 F216 I217 W285 | F169-K213 HydrophobicContact CD1-CB 4.08Å; F169-K213 HydrophobicContact CD1-CG 4.14Å; F169-K213 VanDerWaalsContact O-CD 3.26Å; F169-K213 WeakPolarHBondContact O-CD 3.39Å; F169-K213 WeakPolarHBondContact O-CE 3.46Å; F169-K213 PolarHBondContact O-NZ 2.91Å; G171-K213 PolarHBondContact O-NZ 3.4Å; L178-K213 HydrophobicContact CD1-CB 4.15Å; L178-K213 HydrophobicContact CD1-CG 3.84Å; L178-K213 HydrophobicContact CD2-CB 4.13Å; L178-K213 HydrophobicContact CD2-CG 3.93Å; L178-K213 HydrophobicContact CG-CG 4.47Å; I209-K213 WeakPolarHBondContact O-CB 3.18Å; I209-K213 PolarHBondContact O-N 2.89Å; G210-K213 PolarHBondContact O-N 2.77Å; K213-S215 PolarHBondContact O-N 3.41Å; K213-F216 WeakPolarHBondContact O-CA 3.42Å; K213-F216 WeakPolarHBondContact O-CB 3.49Å; K213-F216 PolarHBondContact O-N 3.15Å; K213-I217 HydrophobicContact CD-CD1 4.38Å; K213-I217 HydrophobicContact CD-CG1 4.39Å; K213-I217 HydrophobicContact CG-CD1 4.1Å; K213-I217 WeakPolarHBondContact O-CG1 3.4Å; K213-I217 PolarHBondContact O-N 3.22Å; K213-W285 HydrophobicContact CB-CH2 4.2Å; K213-W285 HydrophobicContact CB-CZ3 4.48Å |
| 214 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -39.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F126 I130 L175 L178 G210 V211 F216 I217 F218 | F126-A214 HydrophobicContact CE2-CB 4.28Å; I130-A214 HydrophobicContact CD1-CB 3.33Å; I130-A214 HydrophobicContact CG1-CB 3.8Å; L175-A214 HydrophobicContact CD2-CB 4.14Å; L178-A214 HydrophobicContact CD2-CB 3.68Å; G210-A214 WeakPolarHBondContact O-CB 3.33Å; G210-A214 PolarHBondContact O-N 3.14Å; V211-A214 PolarHBondContact O-N 2.79Å; A214-F216 VanDerWaalsContact C-N 3.28Å; A214-F216 PolarHBondContact O-N 3.32Å; A214-I217 PolarHBondContact O-N 2.8Å; A214-I217 VanDerWaalsContact O-N 3.14Å; A214-F218 HydrophobicContact CB-CE2 4.33Å; A214-F218 WeakPolarHBondContact O-CD2 3.38Å; A214-F218 WeakPolarHBondContact O-CG 3.48Å; A214-F218 PolarHBondContact O-N 2.78Å |
| 215 | S | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 173.9 | -165.7 | 0 | 0 | 0 | 0 | 112.2 | N148 V211 T212 K213 G219 S233 N274 | N148-S215 WeakPolarHBondContact ND2-CB 3.3Å; N148-S215 PolarHBondContact ND2-OG 3.12Å; N148-S215 VanDerWaalsContact ND2-OG 3.1Å; V211-S215 WeakPolarHBondContact O-CB 3.43Å; V211-S215 PolarHBondContact O-N 3.14Å; T212-S215 WeakPolarHBondContact O-CB 3.38Å; T212-S215 PolarHBondContact O-N 3.23Å; K213-S215 PolarHBondContact O-N 3.41Å; S215-G219 PolarHBondContact O-N 2.87Å; S215-S233 PolarHBondContact OG-N 2.69Å; S215-N274 PolarHBondContact O-OD1 3.12Å |
| 216 | F | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 34.5 Ų | 34.5 | 18% | 0.184 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 175.1 | -69.7 | -54.7 | 0 | 0 | 0 | 112.8 | T212 K213 A214 G219 E220 N274 F276 W285 | T212-F216 HydrophobicContact CG2-CD2 4.37Å; T212-F216 HydrophobicContact CG2-CE2 3.75Å; T212-F216 HydrophobicContact CG2-CZ 4.38Å; T212-F216 VanDerWaalsContact O-CD2 3.3Å; T212-F216 WeakPolarHBondContact O-CD2 3.49Å; T212-F216 PolarHBondContact O-N 3.48Å; K213-F216 WeakPolarHBondContact O-CA 3.42Å; K213-F216 WeakPolarHBondContact O-CB 3.49Å; K213-F216 PolarHBondContact O-N 3.15Å; A214-F216 VanDerWaalsContact C-N 3.28Å; A214-F216 PolarHBondContact O-N 3.32Å; F216-G219 PolarHBondContact O-N 2.68Å; F216-E220 PolarHBondContact O-N 3.3Å; F216-N274 WeakPolarHBondContact CA-OD1 3.33Å; F216-N274 WeakPolarHBondContact CD1-O 3.26Å; F216-N274 VanDerWaalsContact CE1-O 3.23Å; F216-N274 WeakPolarHBondContact CE1-O 3.17Å; F216-N274 PolarHBondContact O-ND2 2.7Å; F216-N274 PolarHBondContact O-OD1 3.5Å; F216-F276 HydrophobicContact CZ-CB 4Å; F216-W285 HydrophobicContact CD2-CE3 4.11Å; F216-W285 HydrophobicContact CD2-CZ3 4.47Å; F216-W285 HydrophobicContact CE2-CB 3.91Å; F216-W285 AromaticContact CE2-CD2 3.84Å; F216-W285 HydrophobicContact CE2-CD2 3.84Å; F216-W285 AromaticContact CE2-CE3 3.57Å; F216-W285 HydrophobicContact CE2-CE3 3.57Å; F216-W285 HydrophobicContact CE2-CG 4.01Å; F216-W285 HydrophobicContact CE2-CZ3 4.33Å; F216-W285 HydrophobicContact CZ-CB 3.92Å; F216-W285 HydrophobicContact CZ-CG 4.44Å |
| 217 | I | 98.6 | Very high | 98 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -45.4 | 178.3 | -61.5 | 170.5 | 0 | 0 | 0 | 110.4 | M173 L175 L178 K213 A214 G219 E220 M221 | M173-I217 VanDerWaalsContact O-CD1 3.3Å; M173-I217 WeakPolarHBondContact O-CD1 3.33Å; M173-I217 WeakPolarHBondContact O-CG1 3.3Å; L175-I217 HydrophobicContact CD2-CB 4.07Å; L175-I217 HydrophobicContact CD2-CD1 4.19Å; L175-I217 HydrophobicContact CD2-CG2 3.89Å; L175-I217 HydrophobicContact CG-CB 4.47Å; L175-I217 HydrophobicContact CG-CG2 3.73Å; L178-I217 HydrophobicContact CB-CD1 4.15Å; L178-I217 HydrophobicContact CD2-CD1 3.83Å; K213-I217 HydrophobicContact CD-CD1 4.38Å; K213-I217 HydrophobicContact CD-CG1 4.39Å; K213-I217 HydrophobicContact CG-CD1 4.1Å; K213-I217 WeakPolarHBondContact O-CG1 3.4Å; K213-I217 PolarHBondContact O-N 3.22Å; A214-I217 PolarHBondContact O-N 2.8Å; A214-I217 VanDerWaalsContact O-N 3.14Å; I217-G219 PolarHBondContact O-N 2.68Å; I217-E220 PolarHBondContact O-N 3.32Å; I217-M221 HydrophobicContact CG2-CG 4.32Å; I217-M221 HydrophobicContact CG2-SD 3.85Å; I217-M221 WeakPolarHBondContact O-CB 3.31Å; I217-M221 VanDerWaalsContact O-CG 3.27Å; I217-M221 WeakPolarHBondContact O-CG 3.49Å; I217-M221 PolarHBondContact O-N 2.86Å |
| 218 | F | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 175.6 | -73.3 | -53.1 | 0 | 0 | 0 | 112.5 | I130 T133 E134 I137 L175 A214 E220 M221 L222 V231 | I130-F218 HydrophobicContact CD1-CE2 4.19Å; I130-F218 HydrophobicContact CG2-CE2 4.05Å; I130-F218 HydrophobicContact CG2-CZ 3.7Å; T133-F218 HydrophobicContact CG2-CD1 4.43Å; T133-F218 HydrophobicContact CG2-CD2 3.88Å; T133-F218 HydrophobicContact CG2-CE1 4.06Å; T133-F218 HydrophobicContact CG2-CE2 3.46Å; T133-F218 VanDerWaalsContact CG2-CE2 3.46Å; T133-F218 HydrophobicContact CG2-CG 4.35Å; T133-F218 HydrophobicContact CG2-CZ 3.57Å; E134-F218 HydrophobicContact CG-CE1 3.7Å; E134-F218 HydrophobicContact CG-CZ 3.87Å; I137-F218 HydrophobicContact CD1-CD1 3.52Å; I137-F218 HydrophobicContact CD1-CE1 3.6Å; I137-F218 HydrophobicContact CD1-CG 4.41Å; L175-F218 HydrophobicContact CD1-CD1 4.04Å; L175-F218 HydrophobicContact CD1-CE1 3.41Å; L175-F218 VanDerWaalsContact CD1-CE1 3.41Å; L175-F218 HydrophobicContact CD1-CZ 3.85Å; L175-F218 HydrophobicContact CD2-CE1 4.43Å; L175-F218 HydrophobicContact CD2-CZ 4.28Å; A214-F218 HydrophobicContact CB-CE2 4.33Å; A214-F218 WeakPolarHBondContact O-CD2 3.38Å; A214-F218 WeakPolarHBondContact O-CG 3.48Å; A214-F218 PolarHBondContact O-N 2.78Å; F218-E220 VanDerWaalsContact C-N 3.3Å; F218-E220 PolarHBondContact O-N 3.26Å; F218-M221 HydrophobicContact CD1-SD 4.32Å; F218-M221 PolarHBondContact O-N 3.29Å; F218-L222 WeakPolarHBondContact O-CB 3.31Å; F218-L222 VanDerWaalsContact O-CG 3.32Å; F218-L222 WeakPolarHBondContact O-CG 3.27Å; F218-L222 PolarHBondContact O-N 2.97Å; F218-V231 HydrophobicContact CB-CG1 4.2Å; F218-V231 HydrophobicContact CB-CG2 4.49Å |
| 219 | G | 97.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S215 F216 I217 L222 K223 N274 | S215-G219 PolarHBondContact O-N 2.87Å; F216-G219 PolarHBondContact O-N 2.68Å; I217-G219 PolarHBondContact O-N 2.68Å; G219-L222 PolarHBondContact O-N 2.88Å; G219-K223 PolarHBondContact O-N 2.87Å; G219-K223 VanDerWaalsContact O-N 3.09Å; G219-N274 WeakPolarHBondContact CA-OD1 3.34Å |
| 220 | E | 97.7 | Very high | 97.8 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 174.3 | -175.5 | 61.1 | -157.4 | 0 | 0 | 112.2 | F216 I217 F218 L222 K223 N274 | F216-E220 PolarHBondContact O-N 3.3Å; I217-E220 PolarHBondContact O-N 3.32Å; F218-E220 VanDerWaalsContact C-N 3.3Å; F218-E220 PolarHBondContact O-N 3.26Å; E220-L222 VanDerWaalsContact C-N 3.25Å; E220-L222 PolarHBondContact O-N 3.17Å; E220-K223 WeakPolarHBondContact O-CD 3.37Å; E220-K223 VanDerWaalsContact O-CG 3.29Å; E220-K223 WeakPolarHBondContact O-CG 3.42Å; E220-K223 PolarHBondContact O-N 2.92Å; E220-K223 WeakPolarHBondContact OE1-CD 3.47Å; E220-K223 WeakPolarHBondContact OE1-CE 3.5Å; E220-K223 IonicContact OE1-NZ 3.76Å; E220-K223 PolarHBondContact OE1-NZ 3.24Å; E220-N274 PolarHBondContact N-ND2 3.36Å |
| 221 | M | 97.5 | Very high | 97.8 | Very high | 114 Ų | 114 | 44.3 Ų | 44.3 | 56% | 0.562 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -62 | -33 | 176 | -73.2 | 169.5 | 62.3 | 0 | 0 | 112.6 | L175 I217 F218 | L175-M221 HydrophobicContact CD1-CE 4.34Å; L175-M221 HydrophobicContact CD1-SD 3.88Å; L175-M221 HydrophobicContact CG-SD 4.26Å; I217-M221 HydrophobicContact CG2-CG 4.32Å; I217-M221 HydrophobicContact CG2-SD 3.85Å; I217-M221 WeakPolarHBondContact O-CB 3.31Å; I217-M221 VanDerWaalsContact O-CG 3.27Å; I217-M221 WeakPolarHBondContact O-CG 3.49Å; I217-M221 PolarHBondContact O-N 2.86Å; F218-M221 HydrophobicContact CD1-SD 4.32Å; F218-M221 PolarHBondContact O-N 3.29Å |
| 222 | L | 97.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 3 | -174.8 | -63.5 | 172.3 | 0 | 0 | 0 | 113.7 | I137 F218 G219 E220 D224 D225 I229 V231 | I137-L222 HydrophobicContact CD1-CD1 4.37Å; I137-L222 HydrophobicContact CG1-CD1 4.43Å; I137-L222 HydrophobicContact CG2-CD2 4.17Å; F218-L222 WeakPolarHBondContact O-CB 3.31Å; F218-L222 VanDerWaalsContact O-CG 3.32Å; F218-L222 WeakPolarHBondContact O-CG 3.27Å; F218-L222 PolarHBondContact O-N 2.97Å; G219-L222 PolarHBondContact O-N 2.88Å; E220-L222 VanDerWaalsContact C-N 3.25Å; E220-L222 PolarHBondContact O-N 3.17Å; L222-D224 PolarHBondContact O-N 3.33Å; L222-D224 VanDerWaalsContact O-N 3.16Å; L222-D225 HydrophobicContact CB-CB 4.45Å; L222-D225 HydrophobicContact CD2-CB 4.33Å; L222-D225 VanDerWaalsContact O-CB 3.3Å; L222-D225 WeakPolarHBondContact O-CB 3.33Å; L222-D225 PolarHBondContact O-N 3.07Å; L222-I229 HydrophobicContact CD1-CB 4.4Å; L222-I229 HydrophobicContact CD1-CD1 4.48Å; L222-I229 HydrophobicContact CD1-CG2 3.93Å; L222-I229 HydrophobicContact CD2-CD1 4.3Å; L222-V231 HydrophobicContact CD1-CG2 3.83Å |
| 223 | K | 96.3 | Very high | 97.8 | Very high | 119 Ų | 119 | 44.2 Ų | 44.2 | 52% | 0.517 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -35.3 | -173.1 | 74.2 | -173.6 | 177.7 | -177.8 | 0 | 114.2 | G219 E220 | G219-K223 PolarHBondContact O-N 2.87Å; G219-K223 VanDerWaalsContact O-N 3.09Å; E220-K223 WeakPolarHBondContact O-CD 3.37Å; E220-K223 VanDerWaalsContact O-CG 3.29Å; E220-K223 WeakPolarHBondContact O-CG 3.42Å; E220-K223 PolarHBondContact O-N 2.92Å; E220-K223 WeakPolarHBondContact OE1-CD 3.47Å; E220-K223 WeakPolarHBondContact OE1-CE 3.5Å; E220-K223 IonicContact OE1-NZ 3.76Å; E220-K223 PolarHBondContact OE1-NZ 3.24Å |
| 224 | D | 96.2 | Very high | 97.8 | Very high | 136 Ų | 136 | 43.5 Ų | 43.5 | 73% | 0.727 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 9.7 | -177.9 | -62.6 | -47.4 | 0 | 0 | 0 | 112 | L222 | L222-D224 PolarHBondContact O-N 3.33Å; L222-D224 VanDerWaalsContact O-N 3.16Å |
| 225 | D | 96.7 | Very high | 97.7 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | trans | -65.3 | 126 | 180 | -168.2 | -56.1 | 0 | 0 | 0 | 110.1 | L222 R227 R228 | L222-D225 HydrophobicContact CB-CB 4.45Å; L222-D225 HydrophobicContact CD2-CB 4.33Å; L222-D225 VanDerWaalsContact O-CB 3.3Å; L222-D225 WeakPolarHBondContact O-CB 3.33Å; L222-D225 PolarHBondContact O-N 3.07Å; D225-R227 PolarHBondContact O-N 2.9Å; D225-R227 WeakPolarHBondContact OD1-CB 3.35Å; D225-R227 WeakPolarHBondContact OD1-CG 3.35Å; D225-R227 IonicContact OD1-CZ 3.92Å; D225-R227 PolarHBondContact OD1-N 3.07Å; D225-R227 IonicContact OD1-NE 3.41Å; D225-R227 PolarHBondContact OD1-NE 3.04Å; D225-R227 IonicContact OD1-NH2 2.8Å; D225-R227 IonicContact OD2-CZ 2.91Å; D225-R227 IonicContact OD2-NE 3.8Å; D225-R227 PolarHBondContact OD2-NE 2.83Å; D225-R227 IonicContact OD2-NH2 2.7Å; D225-R227 PolarHBondContact OD2-NH2 3.47Å; D225-R228 PolarHBondContact O-N 3.32Å | ||
| 226 | P | 96.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 44 Ų | 44 | 76% | 0.76 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.1 | -177.7 | 25.8 | -35.7 | 0 | 0 | 0 | 113.3 | R228 | P226-R228 PolarHBondContact O-N 3.24Š|
| 227 | R | 96.9 | Very high | 97.6 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -8.5 | 174.8 | -62.6 | 173.1 | -70.7 | 171.9 | -1.5 | 112.9 | I137 L140 E142 N143 D225 I229 | I137-R227 PolarHBondContact O-NH1 3.01Å; L140-R227 PolarHBondContact O-NH1 3.43Å; L140-R227 VanDerWaalsContact O-NH1 3.08Å; E142-R227 CarbonylContact C-O 3.47Å; N143-R227 PolarHBondContact N-O 3.49Å; D225-R227 PolarHBondContact O-N 2.9Å; D225-R227 WeakPolarHBondContact OD1-CB 3.35Å; D225-R227 WeakPolarHBondContact OD1-CG 3.35Å; D225-R227 IonicContact OD1-CZ 3.92Å; D225-R227 PolarHBondContact OD1-N 3.07Å; D225-R227 IonicContact OD1-NE 3.41Å; D225-R227 PolarHBondContact OD1-NE 3.04Å; D225-R227 IonicContact OD1-NH2 2.8Å; D225-R227 IonicContact OD2-CZ 2.91Å; D225-R227 IonicContact OD2-NE 3.8Å; D225-R227 PolarHBondContact OD2-NE 2.83Å; D225-R227 IonicContact OD2-NH2 2.7Å; D225-R227 PolarHBondContact OD2-NH2 3.47Å; R227-I229 HydrophobicContact CB-CD1 4.12Å; R227-I229 HydrophobicContact CB-CG1 3.97Å; R227-I229 PolarHBondContact O-N 3.14Å |
| 228 | R | 96.5 | Very high | 97.5 | Very high | 130 Ų | 130 | 47.1 Ų | 47.1 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | trans | 56.3 | 46.4 | 178.8 | -56.5 | -179.1 | -74.4 | 154.9 | -6.7 | 112.8 | E142 N143 D225 P226 | E142-R228 IonicContact OE1-CZ 2.78Å; E142-R228 IonicContact OE1-NE 2.8Å; E142-R228 IonicContact OE1-NH2 3.29Å; E142-R228 PolarHBondContact OE1-NH2 3.24Å; N143-R228 PolarHBondContact ND2-NH2 3.37Å; N143-R228 PolarHBondContact OD1-NE 3.2Å; N143-R228 PolarHBondContact OD1-NH1 2.97Å; N143-R228 PolarHBondContact OD1-NH2 2.95Å; D225-R228 PolarHBondContact O-N 3.32Å; P226-R228 PolarHBondContact O-N 3.24Å | ||
| 229 | I | 97.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | trans | -71.7 | 135.4 | 178.9 | -63.1 | 161.3 | 0 | 0 | 0 | 109.1 | L140 A144 V146 L222 R227 V231 | L140-I229 HydrophobicContact CB-CD1 3.88Å; L140-I229 HydrophobicContact CB-CG1 4.4Å; L140-I229 HydrophobicContact CD1-CD1 3.82Å; L140-I229 HydrophobicContact CD1-CG1 4.39Å; L140-I229 HydrophobicContact CD1-CG2 3.95Å; A144-I229 HydrophobicContact CB-CG1 4.29Å; V146-I229 HydrophobicContact CG2-CG2 4.3Å; L222-I229 HydrophobicContact CD1-CB 4.4Å; L222-I229 HydrophobicContact CD1-CD1 4.48Å; L222-I229 HydrophobicContact CD1-CG2 3.93Å; L222-I229 HydrophobicContact CD2-CD1 4.3Å; R227-I229 HydrophobicContact CB-CD1 4.12Å; R227-I229 HydrophobicContact CB-CG1 3.97Å; R227-I229 PolarHBondContact O-N 3.14Å; I229-V231 HydrophobicContact CG2-CG2 4.1Å | ||
| 230 | V | 97.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.3 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 108.9 | A144 V146 N232 L265 N273 | A144-V230 PolarHBondContact O-N 2.9Å; V146-V230 PolarHBondContact N-O 2.93Å; V230-N232 VanDerWaalsContact CG1-ND2 3.33Å; V230-N232 WeakPolarHBondContact CG1-ND2 3.41Å; V230-L265 HydrophobicContact CG1-CD1 4.36Å; V230-N273 HydrophobicContact CG1-CB 4.22Å |
| 231 | V | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.8 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | V146 F218 L222 I229 N274 | V146-V231 HydrophobicContact CB-CB 4.47Å; V146-V231 HydrophobicContact CB-CG1 4.21Å; V146-V231 HydrophobicContact CB-CG2 4.13Å; V146-V231 HydrophobicContact CG1-CG1 4.28Å; V146-V231 HydrophobicContact CG2-CG2 4.45Å; V146-V231 WeakPolarHBondContact O-CA 3.36Å; F218-V231 HydrophobicContact CB-CG1 4.2Å; F218-V231 HydrophobicContact CB-CG2 4.49Å; L222-V231 HydrophobicContact CD1-CG2 3.83Å; I229-V231 HydrophobicContact CG2-CG2 4.1Å; V231-N274 VanDerWaalsContact O-CA 3.24Å; V231-N274 WeakPolarHBondContact O-CA 3.16Å; V231-N274 PolarHBondContact O-N 3.26Å |
| 232 | N | 98.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153.6 | 173.1 | -70.3 | -65.8 | 0 | 0 | 0 | 110.7 | V146 V147 N148 V230 L262 P272 N273 N274 Q275 | V146-N232 PolarHBondContact O-N 2.68Å; V147-N232 WeakPolarHBondContact CA-O 3.35Å; N148-N232 PolarHBondContact N-O 2.66Å; V230-N232 VanDerWaalsContact CG1-ND2 3.33Å; V230-N232 WeakPolarHBondContact CG1-ND2 3.41Å; N232-L262 HydrophobicContact CB-CD1 3.82Å; N232-L262 HydrophobicContact CB-CD2 4.02Å; N232-L262 HydrophobicContact CB-CG 4.44Å; N232-P272 PolarHBondContact ND2-O 2.98Å; N232-P272 PolarHBondContact OD1-O 3.42Å; N232-N273 WeakPolarHBondContact OD1-CA 3.36Å; N232-N274 PolarHBondContact OD1-N 2.95Å; N232-Q275 PolarHBondContact OD1-N 3.47Å |
| 233 | S | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 153.8 | 166.6 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | N148 S215 Q275 F276 V277 | N148-S233 CarbonylContact O-C 3.21Å; N148-S233 WeakPolarHBondContact O-CA 3.4Å; S215-S233 PolarHBondContact OG-N 2.69Å; S233-Q275 PolarHBondContact N-O 2.93Å; S233-Q275 PolarHBondContact OG-O 3.42Å; S233-F276 CarbonylContact O-C 3.56Å; S233-F276 WeakPolarHBondContact O-CA 3.34Å; S233-V277 PolarHBondContact O-N 3.13Å |
| 234 | C | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 165.6 | 179.8 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | N148 S150 T258 L262 V277 | N148-C234 PolarHBondContact O-N 3.34Å; S150-C234 CarbonylContact C-O 3.59Å; S150-C234 WeakPolarHBondContact CA-O 3.48Å; S150-C234 WeakPolarHBondContact CB-O 3.37Å; S150-C234 PolarHBondContact N-O 2.83Å; C234-T258 HydrophobicContact CB-CG2 3.67Å; C234-L262 HydrophobicContact CB-CD1 3.58Å; C234-V277 CarbonylContact C-O 3.53Å; C234-V277 WeakPolarHBondContact CA-O 3.49Å; C234-V277 HydrophobicContact CB-CB 4.34Å; C234-V277 WeakPolarHBondContact CB-O 3.35Å |
| 235 | C | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.2 | 169.2 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | S152 G237 F276 V277 Y278 | S152-C235 PolarHBondContact N-SG 3.44Å; S152-C235 PolarHBondContact OG-SG 2.98Å; S152-C235 VanDerWaalsContact OG-SG 3.39Å; C235-G237 VanDerWaalsContact C-N 3.25Å; C235-G237 PolarHBondContact O-N 3.42Å; C235-G237 PolarHBondContact SG-N 3.08Å; C235-F276 HydrophobicContact CB-CE2 4.44Å; C235-F276 HydrophobicContact CB-CZ 3.94Å; C235-V277 PolarHBondContact N-O 3.47Å; C235-Y278 HydrophobicContact CB-CD2 3.66Å; C235-Y278 HydrophobicContact CB-CE2 4.39Å; C235-Y278 HydrophobicContact CB-CG 4.26Å; C235-Y278 WeakPolarHBondContact O-CD2 3.44Å |
| 236 | P | 97.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.071 | 22% | 0.219 | C | C | . | . | trans | -78.5 | -10.1 | 172.9 | 32.7 | -34.4 | 0 | 0 | 0 | 112.8 | I13 V149 S150 V239 G255 | I13-P236 HydrophobicContact CD1-CB 3.86Å; I13-P236 HydrophobicContact CD1-CG 3.81Å; I13-P236 HydrophobicContact CG2-CB 4.43Å; V149-P236 HydrophobicContact CG1-CG 3.93Å; S150-P236 WeakPolarHBondContact O-CD 3.07Å; P236-V239 HydrophobicContact CB-CG2 4.25Å; P236-G255 VanDerWaalsContact CB-O 3.25Å; P236-G255 WeakPolarHBondContact CB-O 3.28Å; P236-G255 WeakPolarHBondContact O-CA 3.2Å | ||
| 237 | G | 96.7 | Very high | 95.1 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | trans | 87.2 | -168.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C235 V239 | C235-G237 VanDerWaalsContact C-N 3.25Å; C235-G237 PolarHBondContact O-N 3.42Å; C235-G237 PolarHBondContact SG-N 3.08Å; G237-V239 PolarHBondContact O-N 2.89Å | ||
| 238 | F | 95.5 | Very high | 95 | Very high | 104 Ų | 104 | 41.4 Ų | 41.4 | 46% | 0.456 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -92.2 | 93.1 | 179.8 | -172.6 | -138.1 | 0 | 0 | 0 | 110.3 | T244 K247 G248 V249 K250 | F238-T244 HydrophobicContact CD2-CG2 3.95Å; F238-T244 HydrophobicContact CE2-CG2 3.64Å; F238-K247 HydrophobicContact CE1-CB 4.37Å; F238-K247 WeakPolarHBondContact CE1-O 3.44Å; F238-K247 HydrophobicContact CZ-CB 3.9Å; F238-K247 WeakPolarHBondContact CZ-O 3.2Å; F238-G248 CarbonylContact O-C 3.6Å; F238-G248 WeakPolarHBondContact O-CA 3.46Å; F238-V249 HydrophobicContact CB-CG2 4.49Å; F238-V249 HydrophobicContact CD1-CG1 4.48Å; F238-V249 PolarHBondContact O-N 3.08Å; F238-K250 PolarHBondContact O-N 2.9Å |
| 239 | V | 95.8 | Very high | 95 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -98.6 | 138.2 | -167.7 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | I13 P236 G237 T241 T244 K250 T251 T252 | I13-V239 HydrophobicContact CD1-CB 3.95Å; I13-V239 HydrophobicContact CD1-CG1 4.25Å; I13-V239 HydrophobicContact CD1-CG2 3.79Å; I13-V239 HydrophobicContact CG1-CB 4.11Å; I13-V239 HydrophobicContact CG1-CG1 3.83Å; I13-V239 HydrophobicContact CG1-CG2 4.09Å; P236-V239 HydrophobicContact CB-CG2 4.25Å; G237-V239 PolarHBondContact O-N 2.89Å; V239-T241 HydrophobicContact CB-CG2 4.5Å; V239-T241 HydrophobicContact CG1-CG2 3.93Å; V239-T241 PolarHBondContact O-N 2.92Å; V239-T244 WeakPolarHBondContact O-CB 3.21Å; V239-T244 WeakPolarHBondContact O-CG2 3.2Å; V239-T244 PolarHBondContact O-OG1 3.43Å; V239-K250 CarbonylContact C-O 3.52Å; V239-K250 WeakPolarHBondContact CA-O 3.49Å; V239-K250 HydrophobicContact CG2-CB 4.26Å; V239-T251 WeakPolarHBondContact CG1-O 3.32Å; V239-T252 HydrophobicContact CG1-CG2 4.02Å |
| 240 | D | 94.4 | Very high | 95 | Very high | 67 Ų | 67 | 42 Ų | 42 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | trans | -68.3 | 101.7 | 174.8 | -178.6 | -7.6 | 0 | 0 | 0 | 110.3 | H246 K250 | D240-H246 WeakPolarHBondContact OD1-CA 3.47Å; D240-H246 WeakPolarHBondContact OD1-CB 3.44Å; D240-H246 IonicContact OD1-CE1 3.3Å; D240-H246 IonicContact OD1-CG 3.88Å; D240-H246 VanDerWaalsContact OD1-CG 3.27Å; D240-H246 IonicContact OD1-ND1 3.86Å; D240-H246 PolarHBondContact OD1-ND1 2.83Å; D240-K250 WeakPolarHBondContact CB-O 3.24Å; D240-K250 PolarHBondContact N-O 2.92Å | ||
| 241 | T | 93.5 | Very high | 95 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -152.4 | 170.9 | 178.8 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | I13 V239 M243 T244 D245 H246 T252 | I13-T241 HydrophobicContact CG1-CG2 4.44Å; V239-T241 HydrophobicContact CB-CG2 4.5Å; V239-T241 HydrophobicContact CG1-CG2 3.93Å; V239-T241 PolarHBondContact O-N 2.92Å; T241-M243 PolarHBondContact O-N 2.89Å; T241-M243 VanDerWaalsContact O-N 3.16Å; T241-M243 PolarHBondContact OG1-N 3.37Å; T241-T244 PolarHBondContact N-OG1 2.87Å; T241-T244 VanDerWaalsContact N-OG1 3.16Å; T241-T244 PolarHBondContact O-N 2.95Å; T241-T244 PolarHBondContact O-OG1 3.03Å; T241-T244 VanDerWaalsContact O-OG1 3.08Å; T241-D245 PolarHBondContact O-N 3.4Å; T241-H246 PolarHBondContact O-N 2.87Å; T241-T252 HydrophobicContact CG2-CG2 3.8Å |
| 242 | D | 89.1 | Confident | 94.9 | Very high | 81 Ų | 81 | 46.9 Ų | 46.9 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -50.7 | -37.4 | 169.6 | -56.5 | -9.1 | 0 | 0 | 0 | 112.9 | K11 T244 D245 H246 | K11-D242 IonicContact NZ-OD2 2.97Å; K11-D242 PolarHBondContact NZ-OD2 3.37Å; D242-T244 PolarHBondContact O-N 3.36Å; D242-D245 PolarHBondContact O-N 3.12Å; D242-H246 IonicContact OD1-CE1 3.71Å; D242-H246 IonicContact OD1-NE2 2.65Å |
| 243 | M | 88.7 | Confident | 94.8 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -63.6 | -28 | -178.9 | -174.6 | -176.5 | -66.6 | 0 | 0 | 112 | G103 A105 Y204 T241 | G103-M243 WeakPolarHBondContact O-CE 3.13Å; A105-M243 HydrophobicContact CB-CG 3.79Å; A105-M243 HydrophobicContact CB-SD 4.31Å; Y204-M243 HydrophobicContact CE2-SD 4.13Å; T241-M243 PolarHBondContact O-N 2.89Å; T241-M243 VanDerWaalsContact O-N 3.16Å; T241-M243 PolarHBondContact OG1-N 3.37Å |
| 244 | T | 89 | Confident | 94.8 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -106.6 | 11.7 | -178.6 | 61 | 0 | 0 | 0 | 0 | 112.8 | F238 V239 T241 D242 H246 K247 | F238-T244 HydrophobicContact CD2-CG2 3.95Å; F238-T244 HydrophobicContact CE2-CG2 3.64Å; V239-T244 WeakPolarHBondContact O-CB 3.21Å; V239-T244 WeakPolarHBondContact O-CG2 3.2Å; V239-T244 PolarHBondContact O-OG1 3.43Å; T241-T244 PolarHBondContact N-OG1 2.87Å; T241-T244 VanDerWaalsContact N-OG1 3.16Å; T241-T244 PolarHBondContact O-N 2.95Å; T241-T244 PolarHBondContact O-OG1 3.03Å; T241-T244 VanDerWaalsContact O-OG1 3.08Å; D242-T244 PolarHBondContact O-N 3.36Å; T244-H246 PolarHBondContact O-N 2.82Å; T244-K247 VanDerWaalsContact O-CB 3.26Å; T244-K247 WeakPolarHBondContact O-CB 3.38Å; T244-K247 WeakPolarHBondContact O-CG 3.26Å; T244-K247 PolarHBondContact O-N 2.64Å |
| 245 | D | 89.8 | Confident | 94.8 | Very high | 49 Ų | 49 | 54.7 Ų | 54.7 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 34.1 | -168.9 | -59.6 | -44.6 | 0 | 0 | 0 | 113.4 | K107 T241 D242 K247 | K107-D245 WeakPolarHBondContact CD-OD1 3.35Å; K107-D245 WeakPolarHBondContact CE-OD1 3.35Å; K107-D245 IonicContact NZ-OD1 2.78Å; K107-D245 PolarHBondContact NZ-OD1 3.01Å; T241-D245 PolarHBondContact O-N 3.4Å; D242-D245 PolarHBondContact O-N 3.12Å; D245-K247 HydrophobicContact CB-CD 4.16Å; D245-K247 HydrophobicContact CB-CG 4.3Å; D245-K247 PolarHBondContact O-N 3.32Å; D245-K247 VanDerWaalsContact O-N 3.13Å; D245-K247 IonicContact OD2-NZ 2.64Å; D245-K247 PolarHBondContact OD2-NZ 3.2Å |
| 246 | H | 92.2 | Very high | 94.8 | Very high | 113 Ų | 113 | 54.7 Ų | 54.7 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 23.7 | -174.2 | -56.8 | -75.3 | 0 | 0 | 0 | 115 | D240 T241 D242 T244 G248 | D240-H246 WeakPolarHBondContact OD1-CA 3.47Å; D240-H246 WeakPolarHBondContact OD1-CB 3.44Å; D240-H246 IonicContact OD1-CE1 3.3Å; D240-H246 IonicContact OD1-CG 3.88Å; D240-H246 VanDerWaalsContact OD1-CG 3.27Å; D240-H246 IonicContact OD1-ND1 3.86Å; D240-H246 PolarHBondContact OD1-ND1 2.83Å; T241-H246 PolarHBondContact O-N 2.87Å; D242-H246 IonicContact OD1-CE1 3.71Å; D242-H246 IonicContact OD1-NE2 2.65Å; T244-H246 PolarHBondContact O-N 2.82Å; H246-G248 VanDerWaalsContact C-N 3.34Å |
| 247 | K | 93.3 | Very high | 94.8 | Very high | 132 Ų | 132 | 56 Ų | 56 | 57% | 0.574 | 30% | 0.296 | S | S | * | . | trans | -88.6 | -4.8 | 176.9 | -63 | 166.1 | -175.7 | 148.3 | 0 | 112.9 | F238 T244 D245 | F238-K247 HydrophobicContact CE1-CB 4.37Å; F238-K247 WeakPolarHBondContact CE1-O 3.44Å; F238-K247 HydrophobicContact CZ-CB 3.9Å; F238-K247 WeakPolarHBondContact CZ-O 3.2Å; T244-K247 VanDerWaalsContact O-CB 3.26Å; T244-K247 WeakPolarHBondContact O-CB 3.38Å; T244-K247 WeakPolarHBondContact O-CG 3.26Å; T244-K247 PolarHBondContact O-N 2.64Å; D245-K247 HydrophobicContact CB-CD 4.16Å; D245-K247 HydrophobicContact CB-CG 4.3Å; D245-K247 PolarHBondContact O-N 3.32Å; D245-K247 VanDerWaalsContact O-N 3.13Å; D245-K247 IonicContact OD2-NZ 2.64Å; D245-K247 PolarHBondContact OD2-NZ 3.2Å | ||
| 248 | G | 94.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | trans | -62.2 | 148.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F238 H246 | F238-G248 CarbonylContact O-C 3.6Å; F238-G248 WeakPolarHBondContact O-CA 3.46Å; H246-G248 VanDerWaalsContact C-N 3.34Å | ||
| 249 | V | 96.5 | Very high | 95.1 | Very high | 124 Ų | 124 | 50.4 Ų | 50.4 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -94.9 | -12.3 | 178.7 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | F238 | F238-V249 HydrophobicContact CB-CG2 4.49Å; F238-V249 HydrophobicContact CD1-CG1 4.48Å; F238-V249 PolarHBondContact O-N 3.08Å |
| 250 | K | 97.2 | Very high | 95.2 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -104.5 | 145.1 | 176 | -71 | -170 | 169.9 | -158.5 | 0 | 111 | F238 V239 D240 E254 E279 | F238-K250 PolarHBondContact O-N 2.9Å; V239-K250 CarbonylContact C-O 3.52Å; V239-K250 WeakPolarHBondContact CA-O 3.49Å; V239-K250 HydrophobicContact CG2-CB 4.26Å; D240-K250 WeakPolarHBondContact CB-O 3.24Å; D240-K250 PolarHBondContact N-O 2.92Å; K250-E254 WeakPolarHBondContact CA-OE2 3.47Å; K250-E254 HydrophobicContact CB-CB 4.13Å; K250-E254 HydrophobicContact CD-CB 4.28Å; K250-E254 HydrophobicContact CG-CB 4.37Å; K250-E279 WeakPolarHBondContact CE-OE1 3.47Å; K250-E279 IonicContact NZ-OE1 2.71Å; K250-E279 PolarHBondContact NZ-OE1 2.9Å; K250-E279 IonicContact NZ-OE2 3.42Å; K250-E279 PolarHBondContact NZ-OE2 2.95Å |
| 251 | T | 97.9 | Very high | 95.4 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | trans | -69.1 | 162.2 | 164.6 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | V239 D253 E254 G255 | V239-T251 WeakPolarHBondContact CG1-O 3.32Å; T251-D253 PolarHBondContact O-N 3.34Å; T251-E254 PolarHBondContact N-OE2 3.46Å; T251-E254 PolarHBondContact O-N 2.99Å; T251-E254 VanDerWaalsContact OG1-CG 3.3Å; T251-E254 WeakPolarHBondContact OG1-CG 3.39Å; T251-E254 PolarHBondContact OG1-N 3.32Å; T251-E254 PolarHBondContact OG1-OE2 2.94Å; T251-G255 PolarHBondContact O-N 3.42Å | ||
| 252 | T | 97 | Very high | 95.7 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -31 | 174.6 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | S16 V239 T241 G255 A256 | S16-T252 WeakPolarHBondContact CB-O 3.5Å; S16-T252 VanDerWaalsContact OG-CB 3.29Å; S16-T252 WeakPolarHBondContact OG-CB 3.36Å; S16-T252 PolarHBondContact OG-OG1 3.43Å; V239-T252 HydrophobicContact CG1-CG2 4.02Å; T241-T252 HydrophobicContact CG2-CG2 3.8Å; T252-G255 PolarHBondContact O-N 3.15Å; T252-A256 WeakPolarHBondContact O-CB 3.48Å; T252-A256 PolarHBondContact O-N 3.38Å |
| 253 | D | 97.4 | Very high | 96.1 | Very high | 70 Ų | 70 | 46.9 Ų | 46.9 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.2 | -46.8 | 175.4 | -168 | 71.8 | 0 | 0 | 0 | 112 | K20 T251 G255 A256 D257 | K20-D253 WeakPolarHBondContact CE-O 3.36Å; K20-D253 WeakPolarHBondContact CE-OD1 3.27Å; K20-D253 IonicContact NZ-OD1 3.86Å; K20-D253 PolarHBondContact NZ-OD1 2.91Å; K20-D253 IonicContact NZ-OD2 3.63Å; K20-D253 PolarHBondContact NZ-OD2 3.34Å; T251-D253 PolarHBondContact O-N 3.34Å; D253-G255 VanDerWaalsContact C-N 3.29Å; D253-G255 PolarHBondContact O-N 3.01Å; D253-A256 PolarHBondContact O-N 2.83Å; D253-D257 PolarHBondContact O-N 3.12Å |
| 254 | E | 98.3 | Very high | 96.6 | Very high | 97 Ų | 97 | 44.1 Ų | 44.1 | 45% | 0.453 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.2 | -33.5 | 174.1 | -69.9 | 167.1 | 128.5 | 0 | 0 | 112 | K250 T251 D257 | K250-E254 WeakPolarHBondContact CA-OE2 3.47Å; K250-E254 HydrophobicContact CB-CB 4.13Å; K250-E254 HydrophobicContact CD-CB 4.28Å; K250-E254 HydrophobicContact CG-CB 4.37Å; T251-E254 PolarHBondContact N-OE2 3.46Å; T251-E254 PolarHBondContact O-N 2.99Å; T251-E254 VanDerWaalsContact OG1-CG 3.3Å; T251-E254 WeakPolarHBondContact OG1-CG 3.39Å; T251-E254 PolarHBondContact OG1-N 3.32Å; T251-E254 PolarHBondContact OG1-OE2 2.94Å; E254-D257 WeakPolarHBondContact O-CB 3.48Å; E254-D257 PolarHBondContact O-N 3.23Å |
| 255 | G | 98 | Very high | 97 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.4 | -34.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P236 T251 T252 D253 D257 P259 | P236-G255 VanDerWaalsContact CB-O 3.25Å; P236-G255 WeakPolarHBondContact CB-O 3.28Å; P236-G255 WeakPolarHBondContact O-CA 3.2Å; T251-G255 PolarHBondContact O-N 3.42Å; T252-G255 PolarHBondContact O-N 3.15Å; D253-G255 VanDerWaalsContact C-N 3.29Å; D253-G255 PolarHBondContact O-N 3.01Å; G255-D257 VanDerWaalsContact C-N 3.27Å; G255-D257 PolarHBondContact O-N 2.91Å; G255-P259 WeakPolarHBondContact O-CD 3.47Å |
| 256 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.7 | -15.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I17 K20 T252 D253 T258 P259 F260 | I17-A256 HydrophobicContact CB-CB 4.46Å; I17-A256 HydrophobicContact CG1-CB 3.62Å; K20-A256 HydrophobicContact CD-CB 4.11Å; T252-A256 WeakPolarHBondContact O-CB 3.48Å; T252-A256 PolarHBondContact O-N 3.38Å; D253-A256 PolarHBondContact O-N 2.83Å; A256-T258 PolarHBondContact O-N 3.05Å; A256-P259 WeakPolarHBondContact O-CD 3.45Å; A256-F260 WeakPolarHBondContact O-CB 3.31Å; A256-F260 PolarHBondContact O-N 3.43Å |
| 257 | D | 98.7 | Very high | 97.3 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -53.3 | -173.4 | -178.2 | 74.7 | 0 | 0 | 0 | 114.2 | D253 E254 G255 F260 Y261 R280 | D253-D257 PolarHBondContact O-N 3.12Å; E254-D257 WeakPolarHBondContact O-CB 3.48Å; E254-D257 PolarHBondContact O-N 3.23Å; G255-D257 VanDerWaalsContact C-N 3.27Å; G255-D257 PolarHBondContact O-N 2.91Å; D257-F260 PolarHBondContact O-N 3.2Å; D257-Y261 WeakPolarHBondContact O-CB 3.39Å; D257-Y261 PolarHBondContact O-N 2.87Å; D257-R280 IonicContact OD1-CZ 3.01Å; D257-R280 IonicContact OD1-NE 3.66Å; D257-R280 PolarHBondContact OD1-NE 2.97Å; D257-R280 IonicContact OD1-NH2 3.27Å; D257-R280 PolarHBondContact OD1-NH2 3.25Å; D257-R280 WeakPolarHBondContact OD2-CG 3.22Å; D257-R280 IonicContact OD2-CZ 2.93Å; D257-R280 IonicContact OD2-NE 2.57Å; D257-R280 PolarHBondContact OD2-NE 3.33Å; D257-R280 IonicContact OD2-NH2 3.35Å |
| 258 | T | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.7 | -45.5 | -178.3 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | C234 A256 F260 Y261 L262 V277 E279 R280 | C234-T258 HydrophobicContact CB-CG2 3.67Å; A256-T258 PolarHBondContact O-N 3.05Å; T258-F260 VanDerWaalsContact C-N 3.32Å; T258-F260 PolarHBondContact O-N 3.22Å; T258-Y261 PolarHBondContact O-N 3.48Å; T258-L262 HydrophobicContact CG2-CD1 4.47Å; T258-L262 WeakPolarHBondContact O-CG 3.42Å; T258-L262 PolarHBondContact O-N 3.21Å; T258-L262 VanDerWaalsContact O-N 3.08Å; T258-V277 HydrophobicContact CG2-CB 4.28Å; T258-V277 HydrophobicContact CG2-CG1 3.79Å; T258-E279 WeakPolarHBondContact OG1-CA 3.49Å; T258-E279 PolarHBondContact OG1-N 2.89Å; T258-R280 PolarHBondContact OG1-N 3.29Å; T258-R280 VanDerWaalsContact OG1-N 3.16Å |
| 259 | P | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 172.3 | -25.5 | 31.8 | 0 | 0 | 0 | 113.4 | I17 V147 V149 G255 A256 L262 A263 | I17-P259 HydrophobicContact CD1-CB 3.54Å; I17-P259 HydrophobicContact CD1-CG 3.93Å; I17-P259 HydrophobicContact CG1-CB 4.06Å; V147-P259 HydrophobicContact CG1-CB 4.18Å; V149-P259 HydrophobicContact CG2-CB 4.4Å; V149-P259 HydrophobicContact CG2-CG 4.24Å; G255-P259 WeakPolarHBondContact O-CD 3.47Å; A256-P259 WeakPolarHBondContact O-CD 3.45Å; P259-L262 PolarHBondContact O-N 3.3Å; P259-A263 WeakPolarHBondContact O-CB 3.47Å; P259-A263 PolarHBondContact O-N 3.16Å |
| 260 | F | 98.7 | Very high | 96.4 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 175.7 | 169.1 | -103 | 0 | 0 | 0 | 111.4 | K20 L21 F24 A256 D257 T258 L262 A263 T264 | K20-F260 HydrophobicContact CB-CB 4.37Å; K20-F260 HydrophobicContact CB-CD2 3.56Å; K20-F260 HydrophobicContact CB-CE2 3.93Å; K20-F260 HydrophobicContact CB-CG 3.92Å; K20-F260 HydrophobicContact CD-CB 4.02Å; K20-F260 HydrophobicContact CD-CD1 4.25Å; K20-F260 HydrophobicContact CD-CG 4.01Å; K20-F260 WeakPolarHBondContact O-CE2 3.39Å; L21-F260 HydrophobicContact CD2-CD2 4.1Å; L21-F260 HydrophobicContact CD2-CE2 4.35Å; L21-F260 HydrophobicContact CG-CD2 4.41Å; F24-F260 HydrophobicContact CB-CE2 3.78Å; F24-F260 HydrophobicContact CB-CZ 3.85Å; F24-F260 AromaticContact CD2-CZ 3.89Å; F24-F260 HydrophobicContact CD2-CZ 3.89Å; F24-F260 HydrophobicContact CG-CE2 4.11Å; F24-F260 AromaticContact CG-CZ 3.85Å; F24-F260 HydrophobicContact CG-CZ 3.85Å; A256-F260 WeakPolarHBondContact O-CB 3.31Å; A256-F260 PolarHBondContact O-N 3.43Å; D257-F260 PolarHBondContact O-N 3.2Å; T258-F260 VanDerWaalsContact C-N 3.32Å; T258-F260 PolarHBondContact O-N 3.22Å; F260-L262 VanDerWaalsContact C-N 3.26Å; F260-L262 PolarHBondContact O-N 3.42Å; F260-A263 PolarHBondContact O-N 3.3Å; F260-T264 HydrophobicContact CD2-CG2 3.8Å; F260-T264 HydrophobicContact CE2-CG2 3.43Å; F260-T264 VanDerWaalsContact CE2-CG2 3.43Å; F260-T264 HydrophobicContact CZ-CG2 3.88Å; F260-T264 PolarHBondContact O-N 3.47Å; F260-T264 PolarHBondContact O-OG1 2.87Å; F260-T264 VanDerWaalsContact O-OG1 3.11Å |
| 261 | Y | 98.7 | Very high | 96.3 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.3 | -43.4 | 176.4 | 162.6 | -107.6 | 0 | 0 | 0 | 112.7 | D257 T258 L265 P272 R280 | D257-Y261 WeakPolarHBondContact O-CB 3.39Å; D257-Y261 PolarHBondContact O-N 2.87Å; T258-Y261 PolarHBondContact O-N 3.48Å; Y261-L265 HydrophobicContact CD2-CD2 4.4Å; Y261-L265 HydrophobicContact CE1-CD2 4.26Å; Y261-L265 HydrophobicContact CE2-CD2 3.83Å; Y261-L265 WeakPolarHBondContact O-CG 3.46Å; Y261-L265 PolarHBondContact O-N 3.17Å; Y261-P272 HydrophobicContact CE1-CG 4.25Å; Y261-P272 WeakPolarHBondContact OH-CD 3.42Å; Y261-R280 HydrophobicContact CD1-CB 3.75Å; Y261-R280 HydrophobicContact CD1-CG 3.77Å; Y261-R280 HydrophobicContact CD2-CG 4.31Å; Y261-R280 HydrophobicContact CE1-CB 3.9Å; Y261-R280 HydrophobicContact CE1-CG 4.42Å; Y261-R280 HydrophobicContact CG-CB 4.08Å; Y261-R280 HydrophobicContact CG-CG 3.7Å |
| 262 | L | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.6 | -38.3 | 177.5 | -66.7 | 176.9 | 0 | 0 | 0 | 113 | V147 N232 C234 T258 P259 F260 T264 L265 P272 V277 | V147-L262 HydrophobicContact CG1-CB 4.17Å; V147-L262 HydrophobicContact CG1-CD1 4.07Å; V147-L262 HydrophobicContact CG2-CB 3.65Å; N232-L262 HydrophobicContact CB-CD1 3.82Å; N232-L262 HydrophobicContact CB-CD2 4.02Å; N232-L262 HydrophobicContact CB-CG 4.44Å; C234-L262 HydrophobicContact CB-CD1 3.58Å; T258-L262 HydrophobicContact CG2-CD1 4.47Å; T258-L262 WeakPolarHBondContact O-CG 3.42Å; T258-L262 PolarHBondContact O-N 3.21Å; T258-L262 VanDerWaalsContact O-N 3.08Å; P259-L262 PolarHBondContact O-N 3.3Å; F260-L262 VanDerWaalsContact C-N 3.26Å; F260-L262 PolarHBondContact O-N 3.42Å; L262-T264 VanDerWaalsContact C-N 3.26Å; L262-T264 PolarHBondContact O-N 3.44Å; L262-L265 HydrophobicContact CD2-CD1 4.29Å; L262-L265 WeakPolarHBondContact O-CG 3.36Å; L262-P272 HydrophobicContact CD2-CB 4.46Å; L262-P272 HydrophobicContact CD2-CG 3.32Å; L262-V277 HydrophobicContact CD1-CB 4.2Å; L262-V277 HydrophobicContact CD1-CG2 4.46Å; L262-V277 HydrophobicContact CD2-CB 4.34Å; L262-V277 HydrophobicContact CD2-CG1 4.35Å; L262-V277 HydrophobicContact CD2-CG2 4.04Å |
| 263 | A | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.3 | -28 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L21 I97 V99 R145 V147 P259 F260 | L21-A263 HydrophobicContact CD2-CB 4.19Å; I97-A263 HydrophobicContact CD1-CB 4.48Å; I97-A263 VanDerWaalsContact CD1-O 3.25Å; I97-A263 WeakPolarHBondContact CD1-O 3.3Å; I97-A263 HydrophobicContact CG2-CB 3.78Å; V99-A263 HydrophobicContact CG2-CB 4.25Å; R145-A263 WeakPolarHBondContact CG-O 3.46Å; V147-A263 HydrophobicContact CG2-CB 4.06Å; P259-A263 WeakPolarHBondContact O-CB 3.47Å; P259-A263 PolarHBondContact O-N 3.16Å; F260-A263 PolarHBondContact O-N 3.3Å |
| 264 | T | 98.1 | Very high | 96.3 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 19.1 | -176.1 | 67 | 0 | 0 | 0 | 0 | 113.9 | L21 F24 Y25 F260 L262 | L21-T264 HydrophobicContact CD2-CG2 3.92Å; F24-T264 HydrophobicContact CD1-CG2 3.97Å; F24-T264 HydrophobicContact CE1-CG2 4.19Å; Y25-T264 HydrophobicContact CE2-CG2 3.76Å; F260-T264 HydrophobicContact CD2-CG2 3.8Å; F260-T264 HydrophobicContact CE2-CG2 3.43Å; F260-T264 VanDerWaalsContact CE2-CG2 3.43Å; F260-T264 HydrophobicContact CZ-CG2 3.88Å; F260-T264 PolarHBondContact O-N 3.47Å; F260-T264 PolarHBondContact O-OG1 2.87Å; F260-T264 VanDerWaalsContact O-OG1 3.11Å; L262-T264 VanDerWaalsContact C-N 3.26Å; L262-T264 PolarHBondContact O-N 3.44Å |
| 265 | L | 97.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | trans | -55.3 | 133.8 | 176.1 | -70 | 172.4 | 0 | 0 | 0 | 110.4 | R145 V230 Y261 L262 P272 | R145-L265 PolarHBondContact NE-O 3.3Å; V230-L265 HydrophobicContact CG1-CD1 4.36Å; Y261-L265 HydrophobicContact CD2-CD2 4.4Å; Y261-L265 HydrophobicContact CE1-CD2 4.26Å; Y261-L265 HydrophobicContact CE2-CD2 3.83Å; Y261-L265 WeakPolarHBondContact O-CG 3.46Å; Y261-L265 PolarHBondContact O-N 3.17Å; L262-L265 HydrophobicContact CD2-CD1 4.29Å; L262-L265 WeakPolarHBondContact O-CG 3.36Å; L265-P272 HydrophobicContact CD1-CG 4.14Å | ||
| 266 | P | 95.6 | Very high | 96.3 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 50% | 0.5 | 23% | 0.234 | S | C | . | . | trans | -49.5 | 148.5 | 174.9 | -28.3 | 35.4 | 0 | 0 | 0 | 112.4 | R145 D268 S269 | R145-P266 PolarHBondContact NH2-O 3.09Å; P266-D268 WeakPolarHBondContact CB-OD1 3.43Å; P266-D268 PolarHBondContact O-N 3.08Å; P266-S269 WeakPolarHBondContact O-CB 3.36Å; P266-S269 PolarHBondContact O-N 3.07Å | ||
| 267 | I | 92.7 | Very high | 96.3 | Very high | 109 Ų | 109 | 46.1 Ų | 46.1 | 56% | 0.559 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.5 | -176.1 | -71.7 | 173 | 0 | 0 | 0 | 111.7 | N143 R145 S269 | N143-I267 HydrophobicContact CB-CG1 4.29Å; N143-I267 HydrophobicContact CB-CG2 4.04Å; R145-I267 PolarHBondContact NH2-O 2.89Å; I267-S269 VanDerWaalsContact C-N 3.33Å |
| 268 | D | 89.5 | Confident | 96.3 | Very high | 133 Ų | 133 | 48 Ų | 48 | 71% | 0.711 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -1.9 | 177.6 | 63.9 | -35.6 | 0 | 0 | 0 | 114 | P266 K270 | P266-D268 WeakPolarHBondContact CB-OD1 3.43Å; P266-D268 PolarHBondContact O-N 3.08Å; D268-K270 PolarHBondContact O-N 3.41Å |
| 269 | S | 89.6 | Confident | 96.2 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 26% | 0.259 | 26% | 0.255 | S | S | . | . | trans | -64.8 | 124.8 | 179.4 | -157.9 | 0 | 0 | 0 | 0 | 110.8 | P266 I267 E271 | P266-S269 WeakPolarHBondContact O-CB 3.36Å; P266-S269 PolarHBondContact O-N 3.07Å; I267-S269 VanDerWaalsContact C-N 3.33Å; S269-E271 PolarHBondContact OG-O 3.19Å | ||
| 270 | K | 86.1 | Confident | 96.2 | Very high | 179 Ų | 179 | 56.7 Ų | 56.7 | 78% | 0.778 | 28% | 0.275 | S | S | * | . | trans | -88.6 | -21.4 | 174.3 | -62.6 | -174.7 | 179.6 | -177.8 | 0 | 112.7 | D268 | D268-K270 PolarHBondContact O-N 3.41Š| ||
| 271 | E | 94.1 | Very high | 96.1 | Very high | 114 Ų | 114 | 62.6 Ų | 62.6 | 53% | 0.533 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -139.7 | 151.4 | -174.8 | -67.3 | -63.8 | 165.4 | 0 | 0 | 111.3 | S269 N273 | S269-E271 PolarHBondContact OG-O 3.19Å; E271-N273 PolarHBondContact OE2-N 3.44Å |
| 272 | P | 97 | Very high | 96.1 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.032 | 31% | 0.311 | C | S | . | . | S | Bend | cis | -67.1 | 139.2 | -14.1 | 28.9 | -34 | 0 | 0 | 0 | 111 | N232 Y261 L262 L265 Q275 V277 V282 | N232-P272 PolarHBondContact ND2-O 2.98Å; N232-P272 PolarHBondContact OD1-O 3.42Å; Y261-P272 HydrophobicContact CE1-CG 4.25Å; Y261-P272 WeakPolarHBondContact OH-CD 3.42Å; L262-P272 HydrophobicContact CD2-CB 4.46Å; L262-P272 HydrophobicContact CD2-CG 3.32Å; L265-P272 HydrophobicContact CD1-CG 4.14Å; P272-Q275 HydrophobicContact CB-CB 3.93Å; P272-Q275 HydrophobicContact CB-CG 3.94Å; P272-V277 HydrophobicContact CB-CG2 3.87Å; P272-V277 HydrophobicContact CG-CG2 3.95Å; P272-V282 HydrophobicContact CB-CG2 3.92Å |
| 273 | N | 97.2 | Very high | 96 | Very high | 52 Ų | 52 | 65.2 Ų | 65.2 | 28% | 0.278 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -134.3 | 132.2 | 166.3 | -174.8 | 19.3 | 0 | 0 | 0 | 110 | V230 N232 E271 Q275 | V230-N273 HydrophobicContact CG1-CB 4.22Å; N232-N273 WeakPolarHBondContact OD1-CA 3.36Å; E271-N273 PolarHBondContact OE2-N 3.44Å; N273-Q275 VanDerWaalsContact C-N 3.29Å; N273-Q275 WeakPolarHBondContact O-CG 3.29Å; N273-Q275 PolarHBondContact O-N 3.17Å; N273-Q275 PolarHBondContact O-NE2 2.88Å |
| 274 | N | 97.7 | Very high | 96 | Very high | 33 Ų | 33 | 71.8 Ų | 71.8 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 57.2 | 41.8 | -175.5 | -157.7 | 21 | 0 | 0 | 0 | 112.6 | S215 F216 G219 E220 V231 N232 | S215-N274 PolarHBondContact O-OD1 3.12Å; F216-N274 WeakPolarHBondContact CA-OD1 3.33Å; F216-N274 WeakPolarHBondContact CD1-O 3.26Å; F216-N274 VanDerWaalsContact CE1-O 3.23Å; F216-N274 WeakPolarHBondContact CE1-O 3.17Å; F216-N274 PolarHBondContact O-ND2 2.7Å; F216-N274 PolarHBondContact O-OD1 3.5Å; G219-N274 WeakPolarHBondContact CA-OD1 3.34Å; E220-N274 PolarHBondContact N-ND2 3.36Å; V231-N274 VanDerWaalsContact O-CA 3.24Å; V231-N274 WeakPolarHBondContact O-CA 3.16Å; V231-N274 PolarHBondContact O-N 3.26Å; N232-N274 PolarHBondContact OD1-N 2.95Å |
| 275 | Q | 98.3 | Very high | 95.9 | Very high | 57 Ų | 57 | 71.5 Ų | 71.5 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | trans | -119.4 | 160.2 | -176.7 | -59.5 | -56 | -39.9 | 0 | 0 | 112.8 | N232 S233 P272 N273 V277 V282 | N232-Q275 PolarHBondContact OD1-N 3.47Å; S233-Q275 PolarHBondContact N-O 2.93Å; S233-Q275 PolarHBondContact OG-O 3.42Å; P272-Q275 HydrophobicContact CB-CB 3.93Å; P272-Q275 HydrophobicContact CB-CG 3.94Å; N273-Q275 VanDerWaalsContact C-N 3.29Å; N273-Q275 WeakPolarHBondContact O-CG 3.29Å; N273-Q275 PolarHBondContact O-N 3.17Å; N273-Q275 PolarHBondContact O-NE2 2.88Å; Q275-V277 HydrophobicContact CB-CG2 4.06Å; Q275-V282 HydrophobicContact CB-CG1 4.15Å; Q275-V282 HydrophobicContact CB-CG2 4.1Å; Q275-V282 HydrophobicContact CG-CG1 4.08Å; Q275-V282 HydrophobicContact CG-CG2 3.95Å | ||
| 276 | F | 98.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 1% | 0.013 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 127.2 | 160.9 | 179.9 | -108.1 | 0 | 0 | 0 | 109.5 | T212 F216 S233 C235 V283 W285 | T212-F276 HydrophobicContact CG2-CB 4.26Å; T212-F276 HydrophobicContact CG2-CD2 3.76Å; T212-F276 HydrophobicContact CG2-CE2 4.46Å; T212-F276 HydrophobicContact CG2-CG 4.21Å; F216-F276 HydrophobicContact CZ-CB 4Å; S233-F276 CarbonylContact O-C 3.56Å; S233-F276 WeakPolarHBondContact O-CA 3.34Å; C235-F276 HydrophobicContact CB-CE2 4.44Å; C235-F276 HydrophobicContact CB-CZ 3.94Å; F276-V283 HydrophobicContact CD1-CB 3.92Å; F276-V283 HydrophobicContact CD1-CG1 4.22Å; F276-V283 HydrophobicContact CE1-CB 4.32Å; F276-V283 HydrophobicContact CE1-CG1 4.39Å; F276-V283 PolarHBondContact O-N 3.01Å; F276-W285 HydrophobicContact CB-CB 4.19Å |
| 277 | V | 98.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.6 | -169.9 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | S233 C234 C235 T258 L262 P272 Q275 K281 V282 | S233-V277 PolarHBondContact O-N 3.13Å; C234-V277 CarbonylContact C-O 3.53Å; C234-V277 WeakPolarHBondContact CA-O 3.49Å; C234-V277 HydrophobicContact CB-CB 4.34Å; C234-V277 WeakPolarHBondContact CB-O 3.35Å; C235-V277 PolarHBondContact N-O 3.47Å; T258-V277 HydrophobicContact CG2-CB 4.28Å; T258-V277 HydrophobicContact CG2-CG1 3.79Å; L262-V277 HydrophobicContact CD1-CB 4.2Å; L262-V277 HydrophobicContact CD1-CG2 4.46Å; L262-V277 HydrophobicContact CD2-CB 4.34Å; L262-V277 HydrophobicContact CD2-CG1 4.35Å; L262-V277 HydrophobicContact CD2-CG2 4.04Å; P272-V277 HydrophobicContact CB-CG2 3.87Å; P272-V277 HydrophobicContact CG-CG2 3.95Å; Q275-V277 HydrophobicContact CB-CG2 4.06Å; V277-K281 CarbonylContact C-O 3.58Å; V277-K281 VanDerWaalsContact CA-O 3.31Å; V277-K281 WeakPolarHBondContact CA-O 3.38Å; V277-K281 WeakPolarHBondContact CG1-O 3.47Å; V277-V282 HydrophobicContact CG2-CG2 4.48Å |
| 278 | Y | 98.4 | Very high | 95.7 | Very high | 78 Ų | 78 | 74.1 Ų | 74.1 | 31% | 0.306 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 133.9 | 175.5 | 177.3 | -125.3 | 0 | 0 | 0 | 109.9 | C235 R280 K281 | C235-Y278 HydrophobicContact CB-CD2 3.66Å; C235-Y278 HydrophobicContact CB-CE2 4.39Å; C235-Y278 HydrophobicContact CB-CG 4.26Å; C235-Y278 WeakPolarHBondContact O-CD2 3.44Å; Y278-R280 PolarHBondContact O-N 3.14Å; Y278-K281 PolarHBondContact N-O 3.45Å; Y278-K281 WeakPolarHBondContact O-CB 3.44Å; Y278-K281 PolarHBondContact O-N 2.99Å |
| 279 | E | 97.6 | Very high | 96 | Very high | 76 Ų | 76 | 71 Ų | 71 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.2 | -174.1 | -53.8 | -70.9 | -173.4 | 0 | 0 | 112.1 | K250 T258 K281 | K250-E279 WeakPolarHBondContact CE-OE1 3.47Å; K250-E279 IonicContact NZ-OE1 2.71Å; K250-E279 PolarHBondContact NZ-OE1 2.9Å; K250-E279 IonicContact NZ-OE2 3.42Å; K250-E279 PolarHBondContact NZ-OE2 2.95Å; T258-E279 WeakPolarHBondContact OG1-CA 3.49Å; T258-E279 PolarHBondContact OG1-N 2.89Å; E279-K281 PolarHBondContact O-N 3.05Å; E279-K281 VanDerWaalsContact O-N 3.08Å |
| 280 | R | 97.8 | Very high | 96.4 | Very high | 111 Ų | 111 | 72.9 Ų | 72.9 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 19.6 | -174.1 | -49.4 | -175.2 | 179.6 | -156.1 | -1.9 | 115.2 | D257 T258 Y261 Y278 | D257-R280 IonicContact OD1-CZ 3.01Å; D257-R280 IonicContact OD1-NE 3.66Å; D257-R280 PolarHBondContact OD1-NE 2.97Å; D257-R280 IonicContact OD1-NH2 3.27Å; D257-R280 PolarHBondContact OD1-NH2 3.25Å; D257-R280 WeakPolarHBondContact OD2-CG 3.22Å; D257-R280 IonicContact OD2-CZ 2.93Å; D257-R280 IonicContact OD2-NE 2.57Å; D257-R280 PolarHBondContact OD2-NE 3.33Å; D257-R280 IonicContact OD2-NH2 3.35Å; T258-R280 PolarHBondContact OG1-N 3.29Å; T258-R280 VanDerWaalsContact OG1-N 3.16Å; Y261-R280 HydrophobicContact CD1-CB 3.75Å; Y261-R280 HydrophobicContact CD1-CG 3.77Å; Y261-R280 HydrophobicContact CD2-CG 4.31Å; Y261-R280 HydrophobicContact CE1-CB 3.9Å; Y261-R280 HydrophobicContact CE1-CG 4.42Å; Y261-R280 HydrophobicContact CG-CB 4.08Å; Y261-R280 HydrophobicContact CG-CG 3.7Å; Y278-R280 PolarHBondContact O-N 3.14Å |
| 281 | K | 98 | Very high | 97 | Very high | 152 Ų | 152 | 66.6 Ų | 66.6 | 66% | 0.661 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.2 | 177 | -65.9 | 173.7 | -174.6 | 175.4 | 0 | 110.7 | V277 Y278 E279 V283 | V277-K281 CarbonylContact C-O 3.58Å; V277-K281 VanDerWaalsContact CA-O 3.31Å; V277-K281 WeakPolarHBondContact CA-O 3.38Å; V277-K281 WeakPolarHBondContact CG1-O 3.47Å; Y278-K281 PolarHBondContact N-O 3.45Å; Y278-K281 WeakPolarHBondContact O-CB 3.44Å; Y278-K281 PolarHBondContact O-N 2.99Å; E279-K281 PolarHBondContact O-N 3.05Å; E279-K281 VanDerWaalsContact O-N 3.08Å; K281-V283 PolarHBondContact O-N 2.94Å |
| 282 | V | 98.1 | Very high | 97.2 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 128.4 | 170.2 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | P272 Q275 V277 | P272-V282 HydrophobicContact CB-CG2 3.92Å; Q275-V282 HydrophobicContact CB-CG1 4.15Å; Q275-V282 HydrophobicContact CB-CG2 4.1Å; Q275-V282 HydrophobicContact CG-CG1 4.08Å; Q275-V282 HydrophobicContact CG-CG2 3.95Å; V277-V282 HydrophobicContact CG2-CG2 4.48Å |
| 283 | V | 97.2 | Very high | 97.2 | Very high | 42 Ų | 42 | 67.6 Ų | 67.6 | 26% | 0.255 | 32% | 0.315 | S | S | . | . | trans | -115.8 | 124.5 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | L155 F276 K281 W285 | L155-V283 HydrophobicContact CD2-CG1 3.72Å; F276-V283 HydrophobicContact CD1-CB 3.92Å; F276-V283 HydrophobicContact CD1-CG1 4.22Å; F276-V283 HydrophobicContact CE1-CB 4.32Å; F276-V283 HydrophobicContact CE1-CG1 4.39Å; F276-V283 PolarHBondContact O-N 3.01Å; K281-V283 PolarHBondContact O-N 2.94Å; V283-W285 PolarHBondContact O-N 3.05Å | ||
| 284 | K | 97.2 | Very high | 97.2 | Very high | 139 Ų | 139 | 68.7 Ų | 68.7 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | trans | -59.7 | 119.9 | 175.2 | -169.9 | -168.8 | -176.2 | -156.3 | 0 | 109.4 | S286 K287 | K284-S286 VanDerWaalsContact CE-OG 3.3Å; K284-S286 WeakPolarHBondContact CE-OG 3.34Å; K284-S286 PolarHBondContact O-N 2.92Å; K284-K287 PolarHBondContact NZ-O 3.26Å | ||
| 285 | W | 97.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 71.5 Ų | 71.5 | 6% | 0.064 | 33% | 0.329 | C | S | . | . | trans | -94.6 | 60.1 | -179 | -165.1 | 78.8 | 0 | 0 | 0 | 111.8 | S154 L155 L158 F169 I209 T212 K213 F216 F276 V283 | S154-W285 PolarHBondContact OG-NE1 3.43Å; L155-W285 HydrophobicContact CD1-CG 4.44Å; L158-W285 HydrophobicContact CB-CZ2 4.39Å; L158-W285 HydrophobicContact CD1-CH2 4.05Å; L158-W285 HydrophobicContact CD1-CZ2 4.35Å; L158-W285 HydrophobicContact CD1-CZ3 4.49Å; L158-W285 HydrophobicContact CD2-CD2 3.75Å; L158-W285 HydrophobicContact CD2-CE3 3.81Å; L158-W285 HydrophobicContact CD2-CG 4.45Å; L158-W285 HydrophobicContact CD2-CH2 3.89Å; L158-W285 HydrophobicContact CD2-CZ2 3.8Å; L158-W285 HydrophobicContact CD2-CZ3 3.89Å; L158-W285 HydrophobicContact CG-CH2 4.49Å; L158-W285 HydrophobicContact CG-CZ2 4.4Å; F169-W285 HydrophobicContact CB-CH2 4.24Å; F169-W285 HydrophobicContact CB-CZ3 4.42Å; F169-W285 HydrophobicContact CD1-CH2 4.49Å; I209-W285 HydrophobicContact CB-CZ2 4.38Å; I209-W285 HydrophobicContact CG2-CH2 3.89Å; I209-W285 HydrophobicContact CG2-CZ2 3.9Å; T212-W285 HydrophobicContact CG2-CD2 3.77Å; T212-W285 HydrophobicContact CG2-CE3 4.46Å; T212-W285 HydrophobicContact CG2-CG 3.9Å; T212-W285 HydrophobicContact CG2-CZ2 4.04Å; K213-W285 HydrophobicContact CB-CH2 4.2Å; K213-W285 HydrophobicContact CB-CZ3 4.48Å; F216-W285 HydrophobicContact CD2-CE3 4.11Å; F216-W285 HydrophobicContact CD2-CZ3 4.47Å; F216-W285 HydrophobicContact CE2-CB 3.91Å; F216-W285 AromaticContact CE2-CD2 3.84Å; F216-W285 HydrophobicContact CE2-CD2 3.84Å; F216-W285 AromaticContact CE2-CE3 3.57Å; F216-W285 HydrophobicContact CE2-CE3 3.57Å; F216-W285 HydrophobicContact CE2-CG 4.01Å; F216-W285 HydrophobicContact CE2-CZ3 4.33Å; F216-W285 HydrophobicContact CZ-CB 3.92Å; F216-W285 HydrophobicContact CZ-CG 4.44Å; F276-W285 HydrophobicContact CB-CB 4.19Å; V283-W285 PolarHBondContact O-N 3.05Å | ||
| 286 | S | 96 | Very high | 97.1 | Very high | 34 Ų | 34 | 72.7 Ų | 72.7 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | trans | -170.5 | 171 | 177.6 | 40.7 | 0 | 0 | 0 | 0 | 110.3 | Y166 K284 | Y166-S286 WeakPolarHBondContact OH-CB 3.26Å; K284-S286 VanDerWaalsContact CE-OG 3.3Å; K284-S286 WeakPolarHBondContact CE-OG 3.34Å; K284-S286 PolarHBondContact O-N 2.92Å | ||
| 287 | K | 90.1 | Very high | 96.9 | Very high | 142 Ų | 142 | 79 Ų | 79 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | trans | -55.3 | 0 | 169.8 | -70.1 | 172 | -175.2 | 171.8 | 0 | 111.4 | L159 D163 Y166 K284 | L159-K287 HydrophobicContact CD2-CB 4.2Å; L159-K287 HydrophobicContact CD2-CG 3.41Å; L159-K287 VanDerWaalsContact CD2-CG 3.41Å; D163-K287 IonicContact OD1-NZ 3.61Å; D163-K287 PolarHBondContact OD1-NZ 2.53Å; Y166-K287 HydrophobicContact CD1-CD 4.45Å; Y166-K287 HydrophobicContact CE1-CD 3.95Å; Y166-K287 HydrophobicContact CE1-CG 4.36Å; Y166-K287 HydrophobicContact CE2-CD 4.09Å; Y166-K287 HydrophobicContact CE2-CG 3.8Å; Y166-K287 WeakPolarHBondContact OH-CB 3.24Å; Y166-K287 PolarHBondContact OH-N 2.83Å; K284-K287 PolarHBondContact NZ-O 3.26Å |
Retrieved 287 of 287 residues in 318.2 ms
(Link to these results)