| 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 | 59.8 | Low | 92.6 | Very high | 162 Ų | 162 | 56.5 Ų | 56.5 | 80% | 0.798 | 28% | 0.282 | S | S | * | . | 0 | 138.7 | 0 | -66.5 | -179.1 | -164.8 | 0 | 0 | 107.5 | F3 D55 | M1-F3 HydrophobicContact CB-CE1 4.35Å; M1-F3 HydrophobicContact CB-CE2 4.45Å; M1-F3 HydrophobicContact CB-CZ 4.1Å; M1-F3 HydrophobicContact SD-CZ 4.5Å; M1-D55 HydrophobicContact CE-CB 3.85Å; M1-D55 WeakPolarHBondContact CE-OD2 3.21Å; M1-D55 HydrophobicContact SD-CB 3.97Å | |||
| 2 | N | 81 | Confident | 93 | Very high | 171 Ų | 171 | 51.8 Ų | 51.8 | 91% | 0.914 | 26% | 0.259 | S | S | * | . | trans | -95.6 | 105.5 | 173.7 | -74.9 | -1.2 | 0 | 0 | 0 | 108 | ||||
| 3 | F | 94.4 | Very high | 93.3 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | trans | -75.4 | 140.3 | 172.4 | -57.3 | -69.8 | 0 | 0 | 0 | 109.4 | M1 E30 R32 D55 N56 | M1-F3 HydrophobicContact CB-CE1 4.35Å; M1-F3 HydrophobicContact CB-CE2 4.45Å; M1-F3 HydrophobicContact CB-CZ 4.1Å; M1-F3 HydrophobicContact SD-CZ 4.5Å; F3-E30 VanDerWaalsContact CA-O 3.27Å; F3-E30 WeakPolarHBondContact CA-O 3.43Å; F3-E30 WeakPolarHBondContact CB-O 3.44Å; F3-R32 HydrophobicContact CB-CB 3.85Å; F3-R32 HydrophobicContact CD1-CB 4.38Å; F3-R32 HydrophobicContact CD2-CB 3.7Å; F3-R32 HydrophobicContact CD2-CG 4.16Å; F3-R32 HydrophobicContact CE2-CB 4.36Å; F3-R32 HydrophobicContact CE2-CG 4.48Å; F3-R32 HydrophobicContact CG-CB 3.71Å; F3-D55 WeakPolarHBondContact CZ-O 3.38Å; F3-N56 HydrophobicContact CD1-CB 4.24Å; F3-N56 HydrophobicContact CE1-CB 3.46Å; F3-N56 VanDerWaalsContact CE1-CB 3.46Å; F3-N56 HydrophobicContact CZ-CB 3.98Å | ||
| 4 | N | 94.8 | Very high | 93.4 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 56% | 0.561 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -91.6 | -13.7 | -177.2 | 69.5 | 8.8 | 0 | 0 | 0 | 113.6 | E30 | N4-E30 PolarHBondContact N-O 3.44Å; N4-E30 WeakPolarHBondContact ND2-CG 3.15Å; N4-E30 PolarHBondContact OD1-O 2.81Å |
| 5 | R | 96.9 | Very high | 93.7 | Very high | 102 Ų | 102 | 44.1 Ų | 44.1 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 147.4 | 173.7 | -72.4 | -174.8 | 178.3 | 176.6 | -0.3 | 110.8 | W31 R32 D80 | R5-W31 HydrophobicContact CB-CB 4.45Å; R5-W31 HydrophobicContact CB-CD2 4.1Å; R5-W31 HydrophobicContact CB-CG 3.89Å; R5-W31 VanDerWaalsContact NH1-CZ2 3.3Å; R5-W31 CarbonylContact O-C 3.47Å; R5-W31 WeakPolarHBondContact O-CA 3.42Å; R5-R32 PolarHBondContact O-N 2.83Å; R5-D80 VanDerWaalsContact CA-OD2 3.22Å; R5-D80 WeakPolarHBondContact CA-OD2 3.27Å |
| 6 | T | 98.6 | Very high | 94 | Very high | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.3 | 171.9 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | R32 I34 N78 I79 D80 V81 | T6-R32 CarbonylContact C-O 3.54Å; T6-R32 WeakPolarHBondContact CA-O 3.38Å; T6-R32 HydrophobicContact CG2-CB 4.09Å; T6-R32 HydrophobicContact CG2-CG 4.09Å; T6-I34 HydrophobicContact CG2-CD1 3.68Å; T6-I34 HydrophobicContact CG2-CG1 4.17Å; T6-N78 VanDerWaalsContact CB-O 3.3Å; T6-N78 WeakPolarHBondContact CB-O 3.44Å; T6-N78 PolarHBondContact OG1-O 2.99Å; T6-I79 HydrophobicContact CG2-CD1 3.64Å; T6-D80 PolarHBondContact N-OD2 3.23Å; T6-D80 PolarHBondContact O-N 2.96Å; T6-V81 PolarHBondContact O-N 3.48Å |
| 7 | V | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.1 | 179.6 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | V9 L24 W31 R32 I33 I34 V81 F83 | V7-V9 HydrophobicContact CG1-CG2 4.11Å; V7-L24 HydrophobicContact CG1-CD1 4.15Å; V7-W31 HydrophobicContact CG2-CD2 4.46Å; V7-W31 HydrophobicContact CG2-CE3 3.55Å; V7-W31 HydrophobicContact CG2-CZ3 4.1Å; V7-R32 PolarHBondContact N-O 2.8Å; V7-I33 HydrophobicContact CB-CD1 3.8Å; V7-I33 HydrophobicContact CG2-CD1 3.78Å; V7-I34 PolarHBondContact O-N 3.35Å; V7-V81 CarbonylContact C-O 3.53Å; V7-V81 WeakPolarHBondContact CA-O 3.41Å; V7-V81 HydrophobicContact CB-CB 4.43Å; V7-V81 HydrophobicContact CG1-CB 4.11Å; V7-V81 HydrophobicContact CG1-CG1 4Å; V7-V81 HydrophobicContact CG2-CB 4.14Å; V7-F83 HydrophobicContact CG1-CD2 3.79Å; V7-F83 HydrophobicContact CG1-CE2 4.16Å |
| 8 | L | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.6 | 168.3 | 178.4 | 62.5 | 0 | 0 | 0 | 109.9 | T10 I34 L36 I73 F74 I79 V81 I82 F83 L112 | L8-T10 HydrophobicContact CG-CG2 4.37Å; L8-I34 CarbonylContact C-O 3.5Å; L8-I34 WeakPolarHBondContact CA-O 3.38Å; L8-I34 HydrophobicContact CD1-CB 4.17Å; L8-I34 HydrophobicContact CD1-CG2 3.87Å; L8-L36 HydrophobicContact CD1-CB 4Å; L8-I73 HydrophobicContact CD2-CG2 4.4Å; L8-F74 HydrophobicContact CD2-CE2 4.39Å; L8-F74 HydrophobicContact CD2-CZ 4.13Å; L8-I79 HydrophobicContact CB-CD1 4.22Å; L8-I79 HydrophobicContact CB-CG1 4.5Å; L8-I79 HydrophobicContact CB-CG2 3.79Å; L8-V81 PolarHBondContact N-O 3.47Å; L8-I82 HydrophobicContact CB-CG1 4.3Å; L8-I82 CarbonylContact O-C 3.57Å; L8-I82 WeakPolarHBondContact O-CA 3.32Å; L8-F83 PolarHBondContact O-N 3.01Å; L8-L112 HydrophobicContact CD2-CD1 4.02Å |
| 9 | V | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 114.4 | 171.6 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | V7 L20 V21 L24 I33 I34 N35 L36 F83 L85 | V7-V9 HydrophobicContact CG1-CG2 4.11Å; V9-L20 HydrophobicContact CG1-CD2 4.38Å; V9-V21 HydrophobicContact CB-CG2 3.99Å; V9-V21 HydrophobicContact CG1-CG2 3.89Å; V9-V21 HydrophobicContact CG2-CG2 4.15Å; V9-L24 HydrophobicContact CG2-CD1 3.83Å; V9-I33 HydrophobicContact CG2-CG2 4.33Å; V9-I34 PolarHBondContact N-O 3.36Å; V9-N35 CarbonylContact O-C 3.57Å; V9-N35 WeakPolarHBondContact O-CA 3.35Å; V9-L36 PolarHBondContact O-N 3.17Å; V9-F83 WeakPolarHBondContact CA-O 3.34Å; V9-F83 HydrophobicContact CG1-CB 4.36Å; V9-F83 HydrophobicContact CG2-CB 4.39Å; V9-F83 HydrophobicContact CG2-CD2 4.48Å; V9-L85 HydrophobicContact CG1-CD1 3.81Å |
| 10 | T | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 140.3 | 171.4 | 69.6 | 0 | 0 | 0 | 0 | 109.9 | L8 G12 L36 V64 F83 H84 L85 A86 L112 | L8-T10 HydrophobicContact CG-CG2 4.37Å; T10-G12 VanDerWaalsContact C-N 3.28Å; T10-L36 CarbonylContact C-O 3.57Å; T10-L36 VanDerWaalsContact CA-O 3.27Å; T10-L36 WeakPolarHBondContact CA-O 3.13Å; T10-L36 HydrophobicContact CG2-CB 4.46Å; T10-L36 HydrophobicContact CG2-CD2 4.29Å; T10-V64 HydrophobicContact CG2-CG2 4.33Å; T10-F83 PolarHBondContact N-O 3.13Å; T10-H84 WeakPolarHBondContact OG1-CA 3.35Å; T10-H84 PolarHBondContact OG1-ND1 2.86Å; T10-L85 CarbonylContact O-C 3.56Å; T10-L85 WeakPolarHBondContact O-CA 3.37Å; T10-L85 WeakPolarHBondContact O-CB 3.46Å; T10-L85 PolarHBondContact O-N 2.86Å; T10-L85 VanDerWaalsContact O-N 3.12Å; T10-L85 PolarHBondContact OG1-N 3.23Å; T10-A86 PolarHBondContact O-N 3.26Å; T10-A86 VanDerWaalsContact O-N 3.11Å; T10-A86 PolarHBondContact OG1-N 3.04Å; T10-L112 HydrophobicContact CG2-CD1 4.31Å; T10-L112 HydrophobicContact CG2-CD2 3.78Å |
| 11 | G | 97.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 35 Ų | 35 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 21.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S13 G14 L36 D37 | G11-S13 PolarHBondContact O-N 3.01Å; G11-G14 PolarHBondContact O-N 3.37Å; G11-L36 PolarHBondContact N-O 3.47Å; G11-D37 WeakPolarHBondContact CA-OD2 3.39Å |
| 12 | G | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -7.2 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | T10 G17 S18 N35 D37 | T10-G12 VanDerWaalsContact C-N 3.28Å; G12-G17 CarbonylContact O-C 3.49Å; G12-G17 VanDerWaalsContact O-C 3.25Å; G12-S18 WeakPolarHBondContact O-CA 3.37Å; G12-S18 PolarHBondContact O-N 3.29Å; G12-N35 WeakPolarHBondContact CA-OD1 3.34Å; G12-N35 PolarHBondContact N-OD1 3.44Å; G12-D37 PolarHBondContact N-OD2 2.7Å |
| 13 | S | 96.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -3.2 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 113.1 | G11 N35 D37 C43 S44 L48 | G11-S13 PolarHBondContact O-N 3.01Å; S13-N35 PolarHBondContact OG-ND2 3.48Å; S13-D37 WeakPolarHBondContact CA-OD2 3.37Å; S13-D37 WeakPolarHBondContact CB-OD2 3.44Å; S13-D37 PolarHBondContact N-OD2 2.94Å; S13-C43 WeakPolarHBondContact O-CA 3.22Å; S13-C43 WeakPolarHBondContact O-CB 3.48Å; S13-S44 PolarHBondContact O-N 2.86Å; S13-L48 WeakPolarHBondContact OG-CD1 3.17Å |
| 14 | G | 95.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 19.6 Ų | 19.6 | 12% | 0.124 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -79.5 | -178.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G11 S18 | G11-G14 PolarHBondContact O-N 3.37Å; G14-S18 WeakPolarHBondContact O-CB 3.47Å; G14-S18 PolarHBondContact O-N 2.97Å; G14-S18 PolarHBondContact O-OG 2.81Å |
| 15 | F | 97.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 14.7 Ų | 14.7 | 12% | 0.118 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -53.2 | -69.9 | -177.9 | 168 | -137.9 | 0 | 0 | 0 | 112.7 | G17 S18 H19 I185 P188 R189 Q190 V224 | F15-G17 PolarHBondContact O-N 2.92Å; F15-S18 PolarHBondContact O-OG 3.11Å; F15-H19 AromaticContact CE2-CD2 3.93Å; F15-H19 AromaticContact CE2-NE2 3.83Å; F15-H19 PolarHBondContact O-CD2 2.99Å; F15-H19 VanDerWaalsContact O-CD2 3.3Å; F15-I185 HydrophobicContact CE1-CB 4.41Å; F15-I185 HydrophobicContact CE1-CG2 3.88Å; F15-I185 HydrophobicContact CZ-CG2 3.99Å; F15-P188 WeakPolarHBondContact CD2-O 3.46Å; F15-P188 WeakPolarHBondContact CE2-O 3.48Å; F15-R189 HydrophobicContact CD2-CB 4.44Å; F15-R189 WeakPolarHBondContact CD2-O 3.11Å; F15-Q190 HydrophobicContact CD1-CB 3.98Å; F15-Q190 HydrophobicContact CD1-CG 3.69Å; F15-Q190 HydrophobicContact CD2-CB 4Å; F15-Q190 HydrophobicContact CE1-CB 3.98Å; F15-Q190 HydrophobicContact CE1-CG 3.79Å; F15-Q190 HydrophobicContact CE2-CB 4.02Å; F15-Q190 HydrophobicContact CG-CB 3.99Å; F15-Q190 HydrophobicContact CG-CG 4.12Å; F15-Q190 HydrophobicContact CZ-CB 4.01Å; F15-Q190 HydrophobicContact CZ-CG 4.32Å; F15-V224 HydrophobicContact CE2-CB 3.98Å; F15-V224 HydrophobicContact CE2-CG1 4.2Å; F15-V224 HydrophobicContact CE2-CG2 3.78Å; F15-V224 HydrophobicContact CZ-CB 3.78Å; F15-V224 HydrophobicContact CZ-CG1 4.37Å; F15-V224 HydrophobicContact CZ-CG2 3.83Å |
| 16 | I | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 13 Ų | 13 | 22% | 0.221 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | -175.6 | -58.5 | 161.7 | 0 | 0 | 0 | 110.9 | S18 H19 L20 L85 I185 F231 | I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 2.86Å; I16-H19 PolarHBondContact O-N 3.47Å; I16-L20 PolarHBondContact O-N 3.39Å; I16-L20 VanDerWaalsContact O-N 3.08Å; I16-L85 HydrophobicContact CB-CD2 4.09Å; I16-L85 HydrophobicContact CG2-CD2 3.69Å; I16-I185 HydrophobicContact CD1-CB 4.14Å; I16-I185 HydrophobicContact CD1-CD1 3.55Å; I16-I185 HydrophobicContact CD1-CG1 4.41Å; I16-I185 HydrophobicContact CD1-CG2 4.43Å; I16-I185 HydrophobicContact CG1-CB 4.3Å; I16-I185 HydrophobicContact CG1-CD1 4.11Å; I16-I185 HydrophobicContact CG1-CG2 4.05Å; I16-I185 HydrophobicContact CG2-CD1 4.46Å; I16-F231 HydrophobicContact CG2-CE2 3.72Å |
| 17 | G | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G12 F15 H19 L20 V21 | G12-G17 CarbonylContact O-C 3.49Å; G12-G17 VanDerWaalsContact O-C 3.25Å; F15-G17 PolarHBondContact O-N 2.92Å; G17-H19 PolarHBondContact O-N 2.78Å; G17-L20 PolarHBondContact O-N 3.15Å; G17-V21 WeakPolarHBondContact O-CB 3.37Å; G17-V21 WeakPolarHBondContact O-CG2 3.48Å; G17-V21 PolarHBondContact O-N 3.49Å |
| 18 | S | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.8 | -34.1 | 179.2 | 63.1 | 0 | 0 | 0 | 0 | 113 | G12 G14 F15 I16 C22 | G12-S18 WeakPolarHBondContact O-CA 3.37Å; G12-S18 PolarHBondContact O-N 3.29Å; G14-S18 WeakPolarHBondContact O-CB 3.47Å; G14-S18 PolarHBondContact O-N 2.97Å; G14-S18 PolarHBondContact O-OG 2.81Å; F15-S18 PolarHBondContact O-OG 3.11Å; I16-S18 VanDerWaalsContact C-N 3.33Å; I16-S18 PolarHBondContact O-N 2.86Å; S18-C22 WeakPolarHBondContact O-CB 3.32Å; S18-C22 PolarHBondContact O-N 3.31Å; S18-C22 PolarHBondContact O-SG 2.87Å |
| 19 | H | 98.6 | Very high | 97.8 | Very high | 30 Ų | 30 | 21.6 Ų | 21.6 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 170.7 | -75.5 | -90.3 | 0 | 0 | 0 | 111.4 | F15 I16 G17 S23 P188 R189 V224 V228 | F15-H19 AromaticContact CE2-CD2 3.93Å; F15-H19 AromaticContact CE2-NE2 3.83Å; F15-H19 PolarHBondContact O-CD2 2.99Å; F15-H19 VanDerWaalsContact O-CD2 3.3Å; I16-H19 PolarHBondContact O-N 3.47Å; G17-H19 PolarHBondContact O-N 2.78Å; H19-S23 WeakPolarHBondContact O-CB 3.41Å; H19-S23 PolarHBondContact O-N 3.44Å; H19-P188 PolarHBondContact NE2-O 3.02Å; H19-R189 VanDerWaalsContact CA-NH2 3.26Å; H19-R189 PolarHBondContact CD2-NH2 3.15Å; H19-R189 VanDerWaalsContact CD2-NH2 3.27Å; H19-R189 PolarHBondContact CE1-NH2 3.15Å; H19-R189 PolarHBondContact ND1-NH2 3.16Å; H19-R189 PolarHBondContact NE2-NE 3.21Å; H19-R189 PolarHBondContact NE2-NH2 3.44Å; H19-V224 HydrophobicContact CB-CG2 3.84Å; H19-V224 VanDerWaalsContact CD2-CG2 3.47Å; H19-V224 WeakPolarHBondContact CD2-CG2 3.41Å; H19-V224 VanDerWaalsContact CE1-CG1 3.43Å; H19-V224 WeakPolarHBondContact CE1-CG1 3.48Å; H19-V228 HydrophobicContact CB-CG2 3.76Å |
| 20 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 177.3 | 179.4 | 62.3 | 0 | 0 | 0 | 112.2 | V9 I16 G17 S23 L24 F83 L85 V228 L232 | V9-L20 HydrophobicContact CG1-CD2 4.38Å; I16-L20 PolarHBondContact O-N 3.39Å; I16-L20 VanDerWaalsContact O-N 3.08Å; G17-L20 PolarHBondContact O-N 3.15Å; L20-S23 PolarHBondContact O-N 2.93Å; L20-L24 HydrophobicContact CD1-CD1 4.06Å; L20-L24 HydrophobicContact CD1-CG 4.13Å; L20-L24 HydrophobicContact CG-CD1 3.9Å; L20-L24 HydrophobicContact CG-CG 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.31Å; L20-L24 PolarHBondContact O-N 2.98Å; L20-F83 HydrophobicContact CD2-CB 3.85Å; L20-F83 HydrophobicContact CD2-CD1 3.83Å; L20-F83 HydrophobicContact CD2-CD2 4.05Å; L20-F83 HydrophobicContact CD2-CE1 4.34Å; L20-F83 HydrophobicContact CD2-CG 3.67Å; L20-L85 HydrophobicContact CD2-CD1 3.8Å; L20-L85 HydrophobicContact CD2-CD2 4.49Å; L20-V228 HydrophobicContact CB-CG2 4.2Å; L20-V228 HydrophobicContact CD1-CG1 4Å; L20-L232 HydrophobicContact CD1-CD2 3.93Å; L20-L232 HydrophobicContact CD1-CG 4.32Å |
| 21 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -49.7 | 177.4 | 168.1 | 0 | 0 | 0 | 0 | 110.5 | V9 G17 S23 L24 V25 I33 N35 L48 V51 Y57 | V9-V21 HydrophobicContact CB-CG2 3.99Å; V9-V21 HydrophobicContact CG1-CG2 3.89Å; V9-V21 HydrophobicContact CG2-CG2 4.15Å; G17-V21 WeakPolarHBondContact O-CB 3.37Å; G17-V21 WeakPolarHBondContact O-CG2 3.48Å; G17-V21 PolarHBondContact O-N 3.49Å; V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 2.97Å; V21-L24 PolarHBondContact O-N 3Å; V21-V25 HydrophobicContact CG1-CG2 4.27Å; V21-V25 WeakPolarHBondContact O-CB 3.39Å; V21-V25 VanDerWaalsContact O-CG2 3.3Å; V21-V25 WeakPolarHBondContact O-CG2 3.5Å; V21-V25 PolarHBondContact O-N 3.2Å; V21-I33 HydrophobicContact CG1-CG2 4.46Å; V21-N35 HydrophobicContact CG2-CB 4.36Å; V21-L48 HydrophobicContact CB-CD2 4.07Å; V21-L48 HydrophobicContact CG1-CD2 3.64Å; V21-V51 HydrophobicContact CG1-CG2 4.38Å; V21-Y57 HydrophobicContact CG1-CD2 3.84Å; V21-Y57 HydrophobicContact CG1-CE2 3.38Å |
| 22 | C | 98.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 19% | 0.189 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -41.8 | 177.9 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | S18 A26 V51 R189 | S18-C22 WeakPolarHBondContact O-CB 3.32Å; S18-C22 PolarHBondContact O-N 3.31Å; S18-C22 PolarHBondContact O-SG 2.87Å; C22-A26 VanDerWaalsContact O-CB 3.31Å; C22-A26 WeakPolarHBondContact O-CB 3.38Å; C22-A26 PolarHBondContact O-N 3.27Å; C22-A26 VanDerWaalsContact O-N 3.11Å; C22-V51 HydrophobicContact CB-CG1 4.39Å; C22-R189 PolarHBondContact SG-NH1 3.27Å |
| 23 | S | 98.1 | Very high | 97.8 | Very high | 35 Ų | 35 | 27.5 Ų | 27.5 | 25% | 0.245 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 178.3 | -166.4 | 0 | 0 | 0 | 0 | 112.1 | H19 L20 V21 S27 | H19-S23 WeakPolarHBondContact O-CB 3.41Å; H19-S23 PolarHBondContact O-N 3.44Å; L20-S23 PolarHBondContact O-N 2.93Å; V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 2.97Å; S23-S27 WeakPolarHBondContact O-CB 3.33Å; S23-S27 PolarHBondContact O-N 2.85Å; S23-S27 PolarHBondContact O-OG 2.79Å |
| 24 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -49.5 | 179 | -76.9 | 168.5 | 0 | 0 | 0 | 111.4 | V7 V9 L20 V21 A26 S27 Y28 W31 I33 F83 L232 | V7-L24 HydrophobicContact CG1-CD1 4.15Å; V9-L24 HydrophobicContact CG2-CD1 3.83Å; L20-L24 HydrophobicContact CD1-CD1 4.06Å; L20-L24 HydrophobicContact CD1-CG 4.13Å; L20-L24 HydrophobicContact CG-CD1 3.9Å; L20-L24 HydrophobicContact CG-CG 4.4Å; L20-L24 WeakPolarHBondContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CG 3.31Å; L20-L24 PolarHBondContact O-N 2.98Å; V21-L24 PolarHBondContact O-N 3Å; L24-A26 VanDerWaalsContact C-N 3.31Å; L24-A26 PolarHBondContact O-N 3.14Å; L24-S27 PolarHBondContact O-N 3.04Å; L24-Y28 HydrophobicContact CD2-CD2 4.04Å; L24-Y28 HydrophobicContact CD2-CE2 4.13Å; L24-Y28 PolarHBondContact O-N 2.79Å; L24-W31 HydrophobicContact CD2-CE3 4.39Å; L24-W31 HydrophobicContact CD2-CZ3 4.19Å; L24-I33 HydrophobicContact CB-CD1 3.83Å; L24-I33 HydrophobicContact CB-CG1 4.07Å; L24-I33 HydrophobicContact CB-CG2 4.47Å; L24-I33 HydrophobicContact CD1-CD1 4.45Å; L24-F83 HydrophobicContact CD1-CD2 4.25Å; L24-F83 HydrophobicContact CD1-CE2 4.19Å; L24-F83 HydrophobicContact CD2-CE2 4.46Å; L24-L232 HydrophobicContact CD2-CD2 3.54Å; L24-L232 HydrophobicContact CG-CD2 4.16Å |
| 25 | V | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -42.1 | -179.4 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | V21 I33 V51 R54 N56 Y57 | V21-V25 HydrophobicContact CG1-CG2 4.27Å; V21-V25 WeakPolarHBondContact O-CB 3.39Å; V21-V25 VanDerWaalsContact O-CG2 3.3Å; V21-V25 WeakPolarHBondContact O-CG2 3.5Å; V21-V25 PolarHBondContact O-N 3.2Å; V25-I33 HydrophobicContact CG2-CB 3.9Å; V25-I33 HydrophobicContact CG2-CG1 3.85Å; V25-I33 HydrophobicContact CG2-CG2 4.17Å; V25-V51 HydrophobicContact CB-CB 4.24Å; V25-V51 HydrophobicContact CB-CG1 4Å; V25-V51 HydrophobicContact CG1-CB 3.86Å; V25-V51 HydrophobicContact CG1-CG1 3.73Å; V25-V51 HydrophobicContact CG2-CB 4.39Å; V25-R54 HydrophobicContact CG1-CB 3.81Å; V25-R54 HydrophobicContact CG1-CG 3.73Å; V25-N56 WeakPolarHBondContact CG1-OD1 3.46Å; V25-N56 PolarHBondContact O-ND2 2.82Å; V25-Y57 HydrophobicContact CG2-CD2 3.83Å; V25-Y57 HydrophobicContact CG2-CG 4.22Å |
| 26 | A | 96.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 25.8 Ų | 25.8 | 55% | 0.545 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -75.2 | -36.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C22 L24 | C22-A26 VanDerWaalsContact O-CB 3.31Å; C22-A26 WeakPolarHBondContact O-CB 3.38Å; C22-A26 PolarHBondContact O-N 3.27Å; C22-A26 VanDerWaalsContact O-N 3.11Å; L24-A26 VanDerWaalsContact C-N 3.31Å; L24-A26 PolarHBondContact O-N 3.14Å |
| 27 | S | 96.8 | Very high | 98.1 | Very high | 71 Ų | 71 | 24.2 Ų | 24.2 | 50% | 0.497 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -89 | -24.6 | -171.4 | -52.2 | 0 | 0 | 0 | 0 | 113.4 | S23 L24 | S23-S27 WeakPolarHBondContact O-CB 3.33Å; S23-S27 PolarHBondContact O-N 2.85Å; S23-S27 PolarHBondContact O-OG 2.79Å; L24-S27 PolarHBondContact O-N 3.04Å |
| 28 | Y | 97.2 | Very high | 98 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 15% | 0.145 | 16% | 0.162 | C | C | . | . | trans | -128.5 | 71.1 | -177 | -53.6 | -84.4 | 0 | 0 | 0 | 110.7 | L24 E30 W31 N56 L232 E236 | L24-Y28 HydrophobicContact CD2-CD2 4.04Å; L24-Y28 HydrophobicContact CD2-CE2 4.13Å; L24-Y28 PolarHBondContact O-N 2.79Å; Y28-E30 PolarHBondContact O-N 2.75Å; Y28-E30 VanDerWaalsContact O-N 3.11Å; Y28-W31 AromaticContact CD1-CD2 3.99Å; Y28-W31 HydrophobicContact CD1-CD2 3.99Å; Y28-W31 AromaticContact CD1-CE2 3.53Å; Y28-W31 HydrophobicContact CD1-CE3 4.3Å; Y28-W31 AromaticContact CD1-CH2 3.86Å; Y28-W31 HydrophobicContact CD1-CH2 3.86Å; Y28-W31 AromaticContact CD1-CZ2 3.47Å; Y28-W31 HydrophobicContact CD1-CZ2 3.47Å; Y28-W31 VanDerWaalsContact CD1-CZ2 3.47Å; Y28-W31 HydrophobicContact CD1-CZ3 4.26Å; Y28-W31 AromaticContact CD1-NE1 3.93Å; Y28-W31 HydrophobicContact CD2-CD2 4.47Å; Y28-W31 HydrophobicContact CD2-CE3 4.12Å; Y28-W31 HydrophobicContact CD2-CH2 4.42Å; Y28-W31 HydrophobicContact CD2-CZ3 4.11Å; Y28-W31 AromaticContact CE1-CH2 3.76Å; Y28-W31 HydrophobicContact CE1-CH2 3.76Å; Y28-W31 AromaticContact CE1-CZ2 3.65Å; Y28-W31 HydrophobicContact CE1-CZ2 3.65Å; Y28-W31 HydrophobicContact CE1-CZ3 4.4Å; Y28-W31 HydrophobicContact CE2-CH2 4.35Å; Y28-W31 HydrophobicContact CE2-CZ3 4.27Å; Y28-W31 AromaticContact CG-CD2 3.77Å; Y28-W31 HydrophobicContact CG-CD2 3.77Å; Y28-W31 AromaticContact CG-CE2 3.83Å; Y28-W31 AromaticContact CG-CE3 3.88Å; Y28-W31 HydrophobicContact CG-CE3 3.88Å; Y28-W31 HydrophobicContact CG-CG 4.31Å; Y28-W31 HydrophobicContact CG-CH2 4.18Å; Y28-W31 HydrophobicContact CG-CZ2 4.05Å; Y28-W31 HydrophobicContact CG-CZ3 4.09Å; Y28-W31 PolarHBondContact O-N 3.41Å; Y28-N56 PolarHBondContact O-ND2 2.82Å; Y28-L232 HydrophobicContact CE2-CD2 4.41Å; Y28-E236 PolarHBondContact OH-OE1 2.95Å | ||
| 29 | P | 96.7 | Very high | 97.7 | Very high | 88 Ų | 88 | 29.9 Ų | 29.9 | 57% | 0.571 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.2 | -179.3 | 26 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 30 | E | 97.6 | Very high | 97.3 | Very high | 79 Ų | 79 | 30.1 Ų | 30.1 | 37% | 0.369 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.6 | 177.5 | 78.1 | -64.8 | 169.7 | 0 | 0 | 114.3 | F3 N4 Y28 | F3-E30 VanDerWaalsContact CA-O 3.27Å; F3-E30 WeakPolarHBondContact CA-O 3.43Å; F3-E30 WeakPolarHBondContact CB-O 3.44Å; N4-E30 PolarHBondContact N-O 3.44Å; N4-E30 WeakPolarHBondContact ND2-CG 3.15Å; N4-E30 PolarHBondContact OD1-O 2.81Å; Y28-E30 PolarHBondContact O-N 2.75Å; Y28-E30 VanDerWaalsContact O-N 3.11Å |
| 31 | W | 98.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.038 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141.5 | 175.4 | -62.3 | 10.9 | 0 | 0 | 0 | 110.8 | R5 V7 L24 Y28 I33 N56 L235 | R5-W31 HydrophobicContact CB-CB 4.45Å; R5-W31 HydrophobicContact CB-CD2 4.1Å; R5-W31 HydrophobicContact CB-CG 3.89Å; R5-W31 VanDerWaalsContact NH1-CZ2 3.3Å; R5-W31 CarbonylContact O-C 3.47Å; R5-W31 WeakPolarHBondContact O-CA 3.42Å; V7-W31 HydrophobicContact CG2-CD2 4.46Å; V7-W31 HydrophobicContact CG2-CE3 3.55Å; V7-W31 HydrophobicContact CG2-CZ3 4.1Å; L24-W31 HydrophobicContact CD2-CE3 4.39Å; L24-W31 HydrophobicContact CD2-CZ3 4.19Å; Y28-W31 AromaticContact CD1-CD2 3.99Å; Y28-W31 HydrophobicContact CD1-CD2 3.99Å; Y28-W31 AromaticContact CD1-CE2 3.53Å; Y28-W31 HydrophobicContact CD1-CE3 4.3Å; Y28-W31 AromaticContact CD1-CH2 3.86Å; Y28-W31 HydrophobicContact CD1-CH2 3.86Å; Y28-W31 AromaticContact CD1-CZ2 3.47Å; Y28-W31 HydrophobicContact CD1-CZ2 3.47Å; Y28-W31 VanDerWaalsContact CD1-CZ2 3.47Å; Y28-W31 HydrophobicContact CD1-CZ3 4.26Å; Y28-W31 AromaticContact CD1-NE1 3.93Å; Y28-W31 HydrophobicContact CD2-CD2 4.47Å; Y28-W31 HydrophobicContact CD2-CE3 4.12Å; Y28-W31 HydrophobicContact CD2-CH2 4.42Å; Y28-W31 HydrophobicContact CD2-CZ3 4.11Å; Y28-W31 AromaticContact CE1-CH2 3.76Å; Y28-W31 HydrophobicContact CE1-CH2 3.76Å; Y28-W31 AromaticContact CE1-CZ2 3.65Å; Y28-W31 HydrophobicContact CE1-CZ2 3.65Å; Y28-W31 HydrophobicContact CE1-CZ3 4.4Å; Y28-W31 HydrophobicContact CE2-CH2 4.35Å; Y28-W31 HydrophobicContact CE2-CZ3 4.27Å; Y28-W31 AromaticContact CG-CD2 3.77Å; Y28-W31 HydrophobicContact CG-CD2 3.77Å; Y28-W31 AromaticContact CG-CE2 3.83Å; Y28-W31 AromaticContact CG-CE3 3.88Å; Y28-W31 HydrophobicContact CG-CE3 3.88Å; Y28-W31 HydrophobicContact CG-CG 4.31Å; Y28-W31 HydrophobicContact CG-CH2 4.18Å; Y28-W31 HydrophobicContact CG-CZ2 4.05Å; Y28-W31 HydrophobicContact CG-CZ3 4.09Å; Y28-W31 PolarHBondContact O-N 3.41Å; W31-I33 HydrophobicContact CB-CD1 4.03Å; W31-N56 VanDerWaalsContact O-CB 3.31Å; W31-N56 WeakPolarHBondContact O-CB 3.4Å; W31-N56 PolarHBondContact O-ND2 3.43Å; W31-L235 HydrophobicContact CH2-CD2 4.14Å; W31-L235 HydrophobicContact CZ3-CD2 3.98Å |
| 32 | R | 98.4 | Very high | 96.2 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 18% | 0.177 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 121.6 | 170.2 | -177.4 | 169.2 | 174.9 | 61.2 | 2.1 | 109.9 | F3 R5 T6 V7 I34 T58 E77 | F3-R32 HydrophobicContact CB-CB 3.85Å; F3-R32 HydrophobicContact CD1-CB 4.38Å; F3-R32 HydrophobicContact CD2-CB 3.7Å; F3-R32 HydrophobicContact CD2-CG 4.16Å; F3-R32 HydrophobicContact CE2-CB 4.36Å; F3-R32 HydrophobicContact CE2-CG 4.48Å; F3-R32 HydrophobicContact CG-CB 3.71Å; R5-R32 PolarHBondContact O-N 2.83Å; T6-R32 CarbonylContact C-O 3.54Å; T6-R32 WeakPolarHBondContact CA-O 3.38Å; T6-R32 HydrophobicContact CG2-CB 4.09Å; T6-R32 HydrophobicContact CG2-CG 4.09Å; V7-R32 PolarHBondContact N-O 2.8Å; R32-I34 HydrophobicContact CG-CG1 4.25Å; R32-T58 PolarHBondContact NH1-OG1 2.65Å; R32-T58 PolarHBondContact NH2-OG1 2.79Å; R32-E77 IonicContact CZ-OE1 2.56Å; R32-E77 IonicContact NE-OE1 3.16Å; R32-E77 PolarHBondContact NE-OE1 2.78Å; R32-E77 IonicContact NE-OE2 2.86Å; R32-E77 PolarHBondContact NE-OE2 2.93Å; R32-E77 VanDerWaalsContact NE-OE2 3.12Å; R32-E77 IonicContact NH2-OE1 3.05Å; R32-E77 PolarHBondContact NH2-OE1 2.89Å |
| 33 | I | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.7 | -180 | -49 | -54.5 | 0 | 0 | 0 | 109.3 | V7 V9 V21 L24 V25 W31 N56 Y57 T58 | V7-I33 HydrophobicContact CB-CD1 3.8Å; V7-I33 HydrophobicContact CG2-CD1 3.78Å; V9-I33 HydrophobicContact CG2-CG2 4.33Å; V21-I33 HydrophobicContact CG1-CG2 4.46Å; L24-I33 HydrophobicContact CB-CD1 3.83Å; L24-I33 HydrophobicContact CB-CG1 4.07Å; L24-I33 HydrophobicContact CB-CG2 4.47Å; L24-I33 HydrophobicContact CD1-CD1 4.45Å; V25-I33 HydrophobicContact CG2-CB 3.9Å; V25-I33 HydrophobicContact CG2-CG1 3.85Å; V25-I33 HydrophobicContact CG2-CG2 4.17Å; W31-I33 HydrophobicContact CB-CD1 4.03Å; I33-N56 PolarHBondContact N-O 3.07Å; I33-Y57 HydrophobicContact CB-CD2 4.43Å; I33-Y57 HydrophobicContact CG2-CD2 4.39Å; I33-Y57 CarbonylContact O-C 3.25Å; I33-Y57 WeakPolarHBondContact O-CA 3.39Å; I33-T58 PolarHBondContact O-N 2.97Å |
| 34 | I | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118.3 | 177.5 | -56.7 | 178.3 | 0 | 0 | 0 | 108.2 | T6 V7 L8 V9 R32 T58 I60 E77 I79 | T6-I34 HydrophobicContact CG2-CD1 3.68Å; T6-I34 HydrophobicContact CG2-CG1 4.17Å; V7-I34 PolarHBondContact O-N 3.35Å; L8-I34 CarbonylContact C-O 3.5Å; L8-I34 WeakPolarHBondContact CA-O 3.38Å; L8-I34 HydrophobicContact CD1-CB 4.17Å; L8-I34 HydrophobicContact CD1-CG2 3.87Å; V9-I34 PolarHBondContact N-O 3.36Å; R32-I34 HydrophobicContact CG-CG1 4.25Å; I34-T58 CarbonylContact C-O 3.58Å; I34-T58 WeakPolarHBondContact CA-O 3.02Å; I34-I60 HydrophobicContact CG2-CD1 3.53Å; I34-I60 HydrophobicContact CG2-CG1 4.02Å; I34-E77 HydrophobicContact CD1-CB 4.03Å; I34-E77 HydrophobicContact CD1-CG 3.62Å; I34-I79 HydrophobicContact CD1-CD1 3.98Å |
| 35 | N | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 115.8 | 174.6 | 173 | 18.3 | 0 | 0 | 0 | 110.2 | V9 G12 S13 V21 Y57 T58 F59 I60 | V9-N35 CarbonylContact O-C 3.57Å; V9-N35 WeakPolarHBondContact O-CA 3.35Å; G12-N35 WeakPolarHBondContact CA-OD1 3.34Å; G12-N35 PolarHBondContact N-OD1 3.44Å; S13-N35 PolarHBondContact OG-ND2 3.48Å; V21-N35 HydrophobicContact CG2-CB 4.36Å; N35-Y57 HydrophobicContact CB-CE2 3.64Å; N35-Y57 WeakPolarHBondContact CB-OH 3.24Å; N35-Y57 PolarHBondContact ND2-OH 3.47Å; N35-T58 PolarHBondContact N-O 2.9Å; N35-F59 HydrophobicContact CB-CD2 4.16Å; N35-F59 WeakPolarHBondContact O-CD2 3.5Å; N35-I60 PolarHBondContact O-N 3.13Å |
| 36 | L | 98.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.4 | 172.1 | 174.9 | 63.8 | 0 | 0 | 0 | 109.8 | L8 V9 T10 G11 I60 L69 V70 I73 | L8-L36 HydrophobicContact CD1-CB 4Å; V9-L36 PolarHBondContact O-N 3.17Å; T10-L36 CarbonylContact C-O 3.57Å; T10-L36 VanDerWaalsContact CA-O 3.27Å; T10-L36 WeakPolarHBondContact CA-O 3.13Å; T10-L36 HydrophobicContact CG2-CB 4.46Å; T10-L36 HydrophobicContact CG2-CD2 4.29Å; G11-L36 PolarHBondContact N-O 3.47Å; L36-I60 WeakPolarHBondContact CA-O 3.38Å; L36-I60 HydrophobicContact CD1-CB 4.2Å; L36-I60 HydrophobicContact CD1-CG2 3.86Å; L36-L69 HydrophobicContact CD1-CD2 3.95Å; L36-V70 HydrophobicContact CD2-CG2 4.36Å; L36-I73 HydrophobicContact CD1-CD1 4.21Å; L36-I73 HydrophobicContact CD2-CD1 3.95Å |
| 37 | D | 98.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 147.4 | 178.9 | -155.5 | -60.2 | 0 | 0 | 0 | 111.4 | G11 G12 S13 L39 F59 I60 Q61 G62 | G11-D37 WeakPolarHBondContact CA-OD2 3.39Å; G12-D37 PolarHBondContact N-OD2 2.7Å; S13-D37 WeakPolarHBondContact CA-OD2 3.37Å; S13-D37 WeakPolarHBondContact CB-OD2 3.44Å; S13-D37 PolarHBondContact N-OD2 2.94Å; D37-L39 VanDerWaalsContact C-N 3.31Å; D37-L39 PolarHBondContact OD1-N 3.31Å; D37-F59 HydrophobicContact CB-CE2 3.81Å; D37-F59 HydrophobicContact CB-CZ 4.37Å; D37-I60 PolarHBondContact N-O 3.25Å; D37-I60 VanDerWaalsContact N-O 3.15Å; D37-Q61 CarbonylContact O-C 3.53Å; D37-Q61 VanDerWaalsContact O-CA 3.26Å; D37-Q61 WeakPolarHBondContact O-CA 3.41Å; D37-G62 CarbonylContact C-O 3.54Å; D37-G62 VanDerWaalsContact C-O 3.25Å; D37-G62 PolarHBondContact O-N 2.92Å |
| 38 | I | 95.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 33.4 Ų | 33.4 | 40% | 0.4 | 17% | 0.172 | S | C | . | . | trans | -82.7 | -11.8 | 176.9 | -162.6 | 171.1 | 0 | 0 | 0 | 112.5 | D40 G62 D63 | I38-D40 HydrophobicContact CG2-CB 3.89Å; I38-G62 PolarHBondContact N-O 3.35Å; I38-D63 HydrophobicContact CD1-CB 3.95Å | ||
| 39 | L | 93.4 | Very high | 94 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | trans | 58.7 | 56.1 | -169.8 | -56 | -179.3 | 0 | 0 | 0 | 111.8 | D37 P45 F59 Q61 | D37-L39 VanDerWaalsContact C-N 3.31Å; D37-L39 PolarHBondContact OD1-N 3.31Å; L39-P45 HydrophobicContact CD1-CG 4.3Å; L39-F59 HydrophobicContact CD1-CE1 3.96Å; L39-F59 HydrophobicContact CD1-CZ 3.93Å; L39-F59 HydrophobicContact CD2-CE1 4.37Å; L39-F59 HydrophobicContact CD2-CE2 4.29Å; L39-F59 HydrophobicContact CD2-CZ 3.67Å; L39-F59 HydrophobicContact CG-CE1 4.27Å; L39-F59 HydrophobicContact CG-CZ 3.72Å; L39-Q61 HydrophobicContact CD1-CG 4.36Å; L39-Q61 HydrophobicContact CG-CG 4.39Å | ||
| 40 | D | 90 | Very high | 93.7 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | trans | -67 | 174.8 | 177.2 | -145.4 | -39.3 | 0 | 0 | 0 | 112.2 | I38 C42 C43 K88 | I38-D40 HydrophobicContact CG2-CB 3.89Å; D40-C42 PolarHBondContact O-N 3.5Å; D40-C43 WeakPolarHBondContact O-CB 3.27Å; D40-C43 PolarHBondContact O-N 3.13Å; D40-K88 IonicContact OD1-NZ 2.68Å; D40-K88 PolarHBondContact OD1-NZ 2.9Å; D40-K88 WeakPolarHBondContact OD2-CE 3.16Å; D40-K88 IonicContact OD2-NZ 3.29Å; D40-K88 PolarHBondContact OD2-NZ 2.79Å | ||
| 41 | Y | 86.4 | Confident | 93.5 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 15% | 0.153 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -27.6 | -177.8 | 77.8 | -94.2 | 0 | 0 | 0 | 113.6 | C43 F191 E193 V329 | Y41-C43 VanDerWaalsContact C-N 3.3Å; Y41-F191 HydrophobicContact CD2-CD1 4.01Å; Y41-F191 AromaticContact CD2-CE1 3.46Å; Y41-F191 HydrophobicContact CD2-CE1 3.46Å; Y41-F191 VanDerWaalsContact CD2-CE1 3.46Å; Y41-F191 AromaticContact CD2-CZ 3.8Å; Y41-F191 HydrophobicContact CD2-CZ 3.8Å; Y41-F191 AromaticContact CE2-CD1 3.68Å; Y41-F191 HydrophobicContact CE2-CD1 3.68Å; Y41-F191 AromaticContact CE2-CE1 3.41Å; Y41-F191 HydrophobicContact CE2-CE1 3.41Å; Y41-F191 VanDerWaalsContact CE2-CE1 3.41Å; Y41-F191 HydrophobicContact CE2-CZ 4.23Å; Y41-E193 VanDerWaalsContact CE2-OE2 3.3Å; Y41-E193 WeakPolarHBondContact CE2-OE2 3.48Å; Y41-E193 PolarHBondContact OH-OE1 3.31Å; Y41-E193 PolarHBondContact OH-OE2 3.44Å; Y41-E193 VanDerWaalsContact OH-OE2 3.09Å; Y41-V329 WeakPolarHBondContact O-CG1 2.99Å |
| 42 | C | 87.1 | Confident | 93.3 | Very high | 27 Ų | 27 | 35.8 Ų | 35.8 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 12.1 | 179.7 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | D40 F191 | D40-C42 PolarHBondContact O-N 3.5Å; C42-F191 HydrophobicContact CB-CB 3.97Å; C42-F191 HydrophobicContact CB-CD1 4.06Å; C42-F191 HydrophobicContact CB-CG 3.94Å |
| 43 | C | 90.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 10% | 0.095 | 22% | 0.22 | C | C | . | . | trans | -112.9 | 155.4 | 179.5 | -57 | 0 | 0 | 0 | 0 | 110.4 | S13 D40 Y41 | S13-C43 WeakPolarHBondContact O-CA 3.22Å; S13-C43 WeakPolarHBondContact O-CB 3.48Å; D40-C43 WeakPolarHBondContact O-CB 3.27Å; D40-C43 PolarHBondContact O-N 3.13Å; Y41-C43 VanDerWaalsContact C-N 3.3Å | ||
| 44 | S | 88.6 | Confident | 93 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | trans | -147.5 | 126.4 | 174.2 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | S13 R46 S47 | S13-S44 PolarHBondContact O-N 2.86Å; S44-R46 PolarHBondContact O-N 3.28Å; S44-R46 VanDerWaalsContact O-N 3.15Å; S44-R46 WeakPolarHBondContact OG-CB 3.19Å; S44-R46 WeakPolarHBondContact OG-CG 3.5Å; S44-R46 PolarHBondContact OG-N 2.77Å; S44-S47 WeakPolarHBondContact O-CB 3.39Å; S44-S47 PolarHBondContact O-N 2.94Å; S44-S47 PolarHBondContact O-OG 3.42Å | ||
| 45 | P | 87.9 | Confident | 92.9 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 56% | 0.558 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -55.1 | -28.6 | 171.6 | -25.6 | 34.9 | 0 | 0 | 0 | 112.5 | L39 S47 L48 | L39-P45 HydrophobicContact CD1-CG 4.3Å; P45-S47 PolarHBondContact O-N 2.77Å; P45-S47 VanDerWaalsContact O-N 3.11Å; P45-L48 PolarHBondContact O-N 3.34Å |
| 46 | R | 91.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -58.7 | -23.4 | 174.4 | -52.7 | -172.9 | 57.1 | -168.9 | -8.5 | 113.3 | S44 L48 E49 F325 | S44-R46 PolarHBondContact O-N 3.28Å; S44-R46 VanDerWaalsContact O-N 3.15Å; S44-R46 WeakPolarHBondContact OG-CB 3.19Å; S44-R46 WeakPolarHBondContact OG-CG 3.5Å; S44-R46 PolarHBondContact OG-N 2.77Å; R46-L48 PolarHBondContact O-N 2.82Å; R46-L48 VanDerWaalsContact O-N 3.14Å; R46-E49 WeakPolarHBondContact CA-OE1 3.32Å; R46-E49 VanDerWaalsContact CB-OE1 3.22Å; R46-E49 WeakPolarHBondContact CB-OE1 3.44Å; R46-E49 WeakPolarHBondContact CG-OE1 3.29Å; R46-E49 IonicContact NE-OE1 3.81Å; R46-E49 PolarHBondContact NE-OE1 3.37Å; R46-E49 PolarHBondContact O-N 2.85Å; R46-F325 HydrophobicContact CB-CD2 4.33Å; R46-F325 HydrophobicContact CB-CE2 3.64Å; R46-F325 HydrophobicContact CB-CZ 3.94Å |
| 47 | S | 93.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -64 | -14.2 | 173.4 | -48.9 | 0 | 0 | 0 | 0 | 112.3 | S44 P45 R189 | S44-S47 WeakPolarHBondContact O-CB 3.39Å; S44-S47 PolarHBondContact O-N 2.94Å; S44-S47 PolarHBondContact O-OG 3.42Å; P45-S47 PolarHBondContact O-N 2.77Å; P45-S47 VanDerWaalsContact O-N 3.11Å; S47-R189 PolarHBondContact O-NH1 3.29Å |
| 48 | L | 95.4 | Very high | 92.9 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -120.2 | 6.4 | -173.6 | -63 | 161.6 | 0 | 0 | 0 | 113.1 | S13 V21 P45 R46 G50 V51 E52 Y57 | S13-L48 WeakPolarHBondContact OG-CD1 3.17Å; V21-L48 HydrophobicContact CB-CD2 4.07Å; V21-L48 HydrophobicContact CG1-CD2 3.64Å; P45-L48 PolarHBondContact O-N 3.34Å; R46-L48 PolarHBondContact O-N 2.82Å; R46-L48 VanDerWaalsContact O-N 3.14Å; L48-G50 PolarHBondContact O-N 2.79Å; L48-V51 HydrophobicContact CB-CG2 4.15Å; L48-V51 HydrophobicContact CD2-CG2 3.93Å; L48-V51 WeakPolarHBondContact O-CG2 3.18Å; L48-V51 PolarHBondContact O-N 3.4Å; L48-E52 PolarHBondContact O-N 3.03Å; L48-E52 VanDerWaalsContact O-N 3.12Å; L48-Y57 WeakPolarHBondContact CD1-OH 3.4Å |
| 49 | E | 89.3 | Confident | 93 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -5.9 | -178.9 | -88.3 | 169.4 | -158.2 | 0 | 0 | 116.2 | R46 E52 | R46-E49 WeakPolarHBondContact CA-OE1 3.32Å; R46-E49 VanDerWaalsContact CB-OE1 3.22Å; R46-E49 WeakPolarHBondContact CB-OE1 3.44Å; R46-E49 WeakPolarHBondContact CG-OE1 3.29Å; R46-E49 IonicContact NE-OE1 3.81Å; R46-E49 PolarHBondContact NE-OE1 3.37Å; R46-E49 PolarHBondContact O-N 2.85Å; E49-E52 WeakPolarHBondContact CA-OE2 3.44Å |
| 50 | G | 89.9 | Confident | 93.2 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -7.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L48 E52 | L48-G50 PolarHBondContact O-N 2.79Å; G50-E52 PolarHBondContact N-OE2 3.03Å |
| 51 | V | 94.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | -11.9 | -169 | -62.8 | 0 | 0 | 0 | 0 | 114.4 | V21 C22 V25 L48 N53 R54 Y57 | V21-V51 HydrophobicContact CG1-CG2 4.38Å; C22-V51 HydrophobicContact CB-CG1 4.39Å; V25-V51 HydrophobicContact CB-CB 4.24Å; V25-V51 HydrophobicContact CB-CG1 4Å; V25-V51 HydrophobicContact CG1-CB 3.86Å; V25-V51 HydrophobicContact CG1-CG1 3.73Å; V25-V51 HydrophobicContact CG2-CB 4.39Å; L48-V51 HydrophobicContact CB-CG2 4.15Å; L48-V51 HydrophobicContact CD2-CG2 3.93Å; L48-V51 WeakPolarHBondContact O-CG2 3.18Å; L48-V51 PolarHBondContact O-N 3.4Å; V51-N53 PolarHBondContact O-N 2.81Å; V51-R54 HydrophobicContact CB-CG 4.36Å; V51-R54 WeakPolarHBondContact O-CB 3.39Å; V51-R54 PolarHBondContact O-N 3Å; V51-Y57 WeakPolarHBondContact O-CB 3.44Å; V51-Y57 WeakPolarHBondContact O-CD1 3.12Å |
| 52 | E | 92.5 | Very high | 94.1 | Very high | 82 Ų | 82 | 58 Ų | 58 | 38% | 0.383 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.2 | -176.7 | 77.1 | -76 | -162.9 | 0 | 0 | 113.9 | L48 E49 G50 | L48-E52 PolarHBondContact O-N 3.03Å; L48-E52 VanDerWaalsContact O-N 3.12Å; E49-E52 WeakPolarHBondContact CA-OE2 3.44Å; G50-E52 PolarHBondContact N-OE2 3.03Å |
| 53 | N | 94.6 | Very high | 94.6 | Very high | 138 Ų | 138 | 58 Ų | 58 | 74% | 0.738 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 10.6 | 179.3 | -61.8 | -54.9 | 0 | 0 | 0 | 113.5 | V51 | V51-N53 PolarHBondContact O-N 2.81Š|
| 54 | R | 97.1 | Very high | 95 | Very high | 139 Ų | 139 | 57.8 Ų | 57.8 | 53% | 0.525 | 30% | 0.301 | S | S | . | . | trans | -77.4 | 135.1 | 177.7 | -67.9 | -77.2 | -170.6 | 146 | 1 | 110 | V25 V51 N56 Y57 | V25-R54 HydrophobicContact CG1-CB 3.81Å; V25-R54 HydrophobicContact CG1-CG 3.73Å; V51-R54 HydrophobicContact CB-CG 4.36Å; V51-R54 WeakPolarHBondContact O-CB 3.39Å; V51-R54 PolarHBondContact O-N 3Å; R54-N56 WeakPolarHBondContact CB-OD1 3.41Å; R54-N56 PolarHBondContact O-N 3.17Å; R54-Y57 PolarHBondContact O-N 3.03Å | ||
| 55 | D | 96.9 | Very high | 95.4 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.9 | -178.5 | -64.8 | -37.4 | 0 | 0 | 0 | 113.7 | M1 F3 | M1-D55 HydrophobicContact CE-CB 3.85Å; M1-D55 WeakPolarHBondContact CE-OD2 3.21Å; M1-D55 HydrophobicContact SD-CB 3.97Å; F3-D55 WeakPolarHBondContact CZ-O 3.38Å |
| 56 | N | 97.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 5.7 | -178.6 | 77.4 | -43.3 | 0 | 0 | 0 | 113.8 | F3 V25 Y28 W31 I33 R54 | F3-N56 HydrophobicContact CD1-CB 4.24Å; F3-N56 HydrophobicContact CE1-CB 3.46Å; F3-N56 VanDerWaalsContact CE1-CB 3.46Å; F3-N56 HydrophobicContact CZ-CB 3.98Å; V25-N56 WeakPolarHBondContact CG1-OD1 3.46Å; V25-N56 PolarHBondContact O-ND2 2.82Å; Y28-N56 PolarHBondContact O-ND2 2.82Å; W31-N56 VanDerWaalsContact O-CB 3.31Å; W31-N56 WeakPolarHBondContact O-CB 3.4Å; W31-N56 PolarHBondContact O-ND2 3.43Å; I33-N56 PolarHBondContact N-O 3.07Å; R54-N56 WeakPolarHBondContact CB-OD1 3.41Å; R54-N56 PolarHBondContact O-N 3.17Å |
| 57 | Y | 98.4 | Very high | 96.2 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.7 | 178 | 177.8 | -107.7 | 0 | 0 | 0 | 111.5 | V21 V25 I33 N35 L48 V51 R54 F59 | V21-Y57 HydrophobicContact CG1-CD2 3.84Å; V21-Y57 HydrophobicContact CG1-CE2 3.38Å; V25-Y57 HydrophobicContact CG2-CD2 3.83Å; V25-Y57 HydrophobicContact CG2-CG 4.22Å; I33-Y57 HydrophobicContact CB-CD2 4.43Å; I33-Y57 HydrophobicContact CG2-CD2 4.39Å; I33-Y57 CarbonylContact O-C 3.25Å; I33-Y57 WeakPolarHBondContact O-CA 3.39Å; N35-Y57 HydrophobicContact CB-CE2 3.64Å; N35-Y57 WeakPolarHBondContact CB-OH 3.24Å; N35-Y57 PolarHBondContact ND2-OH 3.47Å; L48-Y57 WeakPolarHBondContact CD1-OH 3.4Å; V51-Y57 WeakPolarHBondContact O-CB 3.44Å; V51-Y57 WeakPolarHBondContact O-CD1 3.12Å; R54-Y57 PolarHBondContact O-N 3.03Å; Y57-F59 HydrophobicContact CE1-CB 4.08Å |
| 58 | T | 97.9 | Very high | 96.4 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 130.1 | 173.4 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | R32 I33 I34 N35 I60 | R32-T58 PolarHBondContact NH1-OG1 2.65Å; R32-T58 PolarHBondContact NH2-OG1 2.79Å; I33-T58 PolarHBondContact O-N 2.97Å; I34-T58 CarbonylContact C-O 3.58Å; I34-T58 WeakPolarHBondContact CA-O 3.02Å; N35-T58 PolarHBondContact N-O 2.9Å; T58-I60 HydrophobicContact CG2-CG1 4.5Å |
| 59 | F | 98.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.9 | 174.4 | -180 | -120.6 | 0 | 0 | 0 | 110.8 | N35 D37 L39 Y57 Q61 | N35-F59 HydrophobicContact CB-CD2 4.16Å; N35-F59 WeakPolarHBondContact O-CD2 3.5Å; D37-F59 HydrophobicContact CB-CE2 3.81Å; D37-F59 HydrophobicContact CB-CZ 4.37Å; L39-F59 HydrophobicContact CD1-CE1 3.96Å; L39-F59 HydrophobicContact CD1-CZ 3.93Å; L39-F59 HydrophobicContact CD2-CE1 4.37Å; L39-F59 HydrophobicContact CD2-CE2 4.29Å; L39-F59 HydrophobicContact CD2-CZ 3.67Å; L39-F59 HydrophobicContact CG-CE1 4.27Å; L39-F59 HydrophobicContact CG-CZ 3.72Å; Y57-F59 HydrophobicContact CE1-CB 4.08Å; F59-Q61 HydrophobicContact CE1-CB 3.7Å; F59-Q61 HydrophobicContact CE1-CG 4.34Å; F59-Q61 HydrophobicContact CZ-CB 3.85Å; F59-Q61 HydrophobicContact CZ-CG 4.25Å |
| 60 | I | 97.9 | Very high | 97 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 21% | 0.205 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 111 | 172.1 | -58.1 | 179.7 | 0 | 0 | 0 | 107 | I34 N35 L36 D37 T58 G62 L69 I73 | I34-I60 HydrophobicContact CG2-CD1 3.53Å; I34-I60 HydrophobicContact CG2-CG1 4.02Å; N35-I60 PolarHBondContact O-N 3.13Å; L36-I60 WeakPolarHBondContact CA-O 3.38Å; L36-I60 HydrophobicContact CD1-CB 4.2Å; L36-I60 HydrophobicContact CD1-CG2 3.86Å; D37-I60 PolarHBondContact N-O 3.25Å; D37-I60 VanDerWaalsContact N-O 3.15Å; T58-I60 HydrophobicContact CG2-CG1 4.5Å; I60-G62 PolarHBondContact O-N 2.58Å; I60-L69 HydrophobicContact CG2-CD1 4.19Å; I60-I73 HydrophobicContact CD1-CD1 3.99Å; I60-I73 HydrophobicContact CD1-CG1 3.93Å; I60-I73 HydrophobicContact CG2-CD1 4.44Å |
| 61 | Q | 97.8 | Very high | 97.4 | Very high | 130 Ų | 130 | 57.8 Ų | 57.8 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.5 | 172.4 | -169 | 174.5 | -9.8 | 0 | 0 | 109.8 | D37 L39 F59 | D37-Q61 CarbonylContact O-C 3.53Å; D37-Q61 VanDerWaalsContact O-CA 3.26Å; D37-Q61 WeakPolarHBondContact O-CA 3.41Å; L39-Q61 HydrophobicContact CD1-CG 4.36Å; L39-Q61 HydrophobicContact CG-CG 4.39Å; F59-Q61 HydrophobicContact CE1-CB 3.7Å; F59-Q61 HydrophobicContact CE1-CG 4.34Å; F59-Q61 HydrophobicContact CZ-CB 3.85Å; F59-Q61 HydrophobicContact CZ-CG 4.25Å |
| 62 | G | 97.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 62.5 Ų | 62.5 | 14% | 0.144 | 31% | 0.314 | C | S | . | . | trans | 176.4 | 167 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D37 I38 I60 | D37-G62 CarbonylContact C-O 3.54Å; D37-G62 VanDerWaalsContact C-O 3.25Å; D37-G62 PolarHBondContact O-N 2.92Å; I38-G62 PolarHBondContact N-O 3.35Å; I60-G62 PolarHBondContact O-N 2.58Å | ||
| 63 | D | 97.9 | Very high | 97.9 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | -90.3 | 126.7 | -179 | -167.5 | -18.7 | 0 | 0 | 0 | 110.3 | I38 C65 N66 R103 | I38-D63 HydrophobicContact CD1-CB 3.95Å; D63-C65 PolarHBondContact O-N 2.79Å; D63-C65 VanDerWaalsContact O-N 3.15Å; D63-C65 VanDerWaalsContact OD1-CB 3.25Å; D63-C65 WeakPolarHBondContact OD1-CB 3.28Å; D63-C65 PolarHBondContact OD1-N 2.93Å; D63-C65 PolarHBondContact OD1-SG 2.63Å; D63-N66 HydrophobicContact CB-CB 4.49Å; D63-N66 VanDerWaalsContact O-CB 3.27Å; D63-N66 WeakPolarHBondContact O-CB 3.33Å; D63-N66 PolarHBondContact O-N 2.96Å; D63-R103 IonicContact OD2-CZ 2.69Å; D63-R103 IonicContact OD2-NH1 3.86Å; D63-R103 IonicContact OD2-NH2 3.51Å; D63-R103 PolarHBondContact OD2-NH2 3.44Å | ||
| 64 | V | 98 | Very high | 98.1 | Very high | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.055 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.2 | 173.6 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | T10 N66 A86 V111 L112 | T10-V64 HydrophobicContact CG2-CG2 4.33Å; V64-N66 PolarHBondContact O-N 3.33Å; V64-A86 HydrophobicContact CG1-CB 4.21Å; V64-V111 VanDerWaalsContact O-CG1 3.31Å; V64-V111 WeakPolarHBondContact O-CG1 3.31Å; V64-L112 HydrophobicContact CG2-CB 4.04Å; V64-L112 HydrophobicContact CG2-CD1 4.43Å; V64-L112 HydrophobicContact CG2-CD2 4.38Å |
| 65 | C | 98.2 | Very high | 98.1 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.1 | 173.5 | -50.6 | 0 | 0 | 0 | 0 | 113.3 | D63 P67 R103 | D63-C65 PolarHBondContact O-N 2.79Å; D63-C65 VanDerWaalsContact O-N 3.15Å; D63-C65 VanDerWaalsContact OD1-CB 3.25Å; D63-C65 WeakPolarHBondContact OD1-CB 3.28Å; D63-C65 PolarHBondContact OD1-N 2.93Å; D63-C65 PolarHBondContact OD1-SG 2.63Å; C65-P67 WeakPolarHBondContact O-CD 3.45Å; C65-R103 PolarHBondContact SG-O 3.01Å |
| 66 | N | 98.6 | Very high | 98.1 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | trans | -87.6 | 101.8 | 178.2 | -178.9 | -26.1 | 0 | 0 | 0 | 110.1 | D63 V64 Q68 L69 V70 | D63-N66 HydrophobicContact CB-CB 4.49Å; D63-N66 VanDerWaalsContact O-CB 3.27Å; D63-N66 WeakPolarHBondContact O-CB 3.33Å; D63-N66 PolarHBondContact O-N 2.96Å; V64-N66 PolarHBondContact O-N 3.33Å; N66-Q68 VanDerWaalsContact C-N 3.29Å; N66-Q68 PolarHBondContact O-N 3.23Å; N66-Q68 WeakPolarHBondContact OD1-CB 3.24Å; N66-Q68 PolarHBondContact OD1-N 3.23Å; N66-Q68 PolarHBondContact OD1-OE1 3.27Å; N66-Q68 VanDerWaalsContact OD1-OE1 3.08Å; N66-L69 HydrophobicContact CB-CB 4.02Å; N66-L69 PolarHBondContact O-N 2.86Å; N66-L69 PolarHBondContact OD1-N 2.92Å; N66-V70 WeakPolarHBondContact O-CG2 3.33Å; N66-V70 PolarHBondContact O-N 3.44Å | ||
| 67 | P | 98.3 | Very high | 98 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.8 | -30.7 | -175.7 | 27.5 | -33.9 | 0 | 0 | 0 | 112.6 | C65 N71 V111 | C65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-N71 WeakPolarHBondContact O-CB 3.47Å; P67-N71 PolarHBondContact O-N 3.47Å; P67-N71 PolarHBondContact O-ND2 3.03Å; P67-V111 HydrophobicContact CB-CG1 4.03Å |
| 68 | Q | 98.4 | Very high | 98 | Very high | 128 Ų | 128 | 58.8 Ų | 58.8 | 60% | 0.598 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.1 | -48.3 | 177.8 | -66.2 | 79.4 | 2.6 | 0 | 0 | 110.7 | N66 Q72 | N66-Q68 VanDerWaalsContact C-N 3.29Å; N66-Q68 PolarHBondContact O-N 3.23Å; N66-Q68 WeakPolarHBondContact OD1-CB 3.24Å; N66-Q68 PolarHBondContact OD1-N 3.23Å; N66-Q68 PolarHBondContact OD1-OE1 3.27Å; N66-Q68 VanDerWaalsContact OD1-OE1 3.08Å; Q68-Q72 WeakPolarHBondContact O-CB 3.27Å; Q68-Q72 VanDerWaalsContact O-CG 3.24Å; Q68-Q72 WeakPolarHBondContact O-CG 3.38Å; Q68-Q72 PolarHBondContact O-N 3.41Å |
| 69 | L | 98.6 | Very high | 98 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -50.1 | 177.2 | 173.9 | 63.5 | 0 | 0 | 0 | 111.2 | L36 I60 N66 N71 Q72 I73 | L36-L69 HydrophobicContact CD1-CD2 3.95Å; I60-L69 HydrophobicContact CG2-CD1 4.19Å; N66-L69 HydrophobicContact CB-CB 4.02Å; N66-L69 PolarHBondContact O-N 2.86Å; N66-L69 PolarHBondContact OD1-N 2.92Å; L69-N71 VanDerWaalsContact C-N 3.34Å; L69-N71 PolarHBondContact O-N 3.21Å; L69-Q72 WeakPolarHBondContact O-CB 3.44Å; L69-Q72 PolarHBondContact O-N 2.82Å; L69-Q72 VanDerWaalsContact O-N 3.15Å; L69-I73 HydrophobicContact CD1-CD1 4.44Å; L69-I73 HydrophobicContact CG-CD1 4.32Å; L69-I73 WeakPolarHBondContact O-CG1 3.47Å; L69-I73 PolarHBondContact O-N 2.91Å |
| 70 | V | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | -178 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | L36 N66 Q72 I73 F74 V111 L112 A115 | L36-V70 HydrophobicContact CD2-CG2 4.36Å; N66-V70 WeakPolarHBondContact O-CG2 3.33Å; N66-V70 PolarHBondContact O-N 3.44Å; V70-Q72 VanDerWaalsContact C-N 3.33Å; V70-Q72 PolarHBondContact O-N 3.45Å; V70-I73 WeakPolarHBondContact O-CB 3.18Å; V70-I73 PolarHBondContact O-N 2.8Å; V70-F74 HydrophobicContact CG1-CD2 4.06Å; V70-F74 HydrophobicContact CG1-CE2 3.82Å; V70-F74 VanDerWaalsContact O-CD2 3.27Å; V70-F74 WeakPolarHBondContact O-CD2 3.34Å; V70-F74 PolarHBondContact O-N 3.39Å; V70-V111 HydrophobicContact CB-CG1 4.06Å; V70-V111 HydrophobicContact CG1-CG1 4.33Å; V70-V111 HydrophobicContact CG2-CG1 4.05Å; V70-L112 HydrophobicContact CG1-CD1 3.93Å; V70-A115 HydrophobicContact CG1-CB 3.59Å |
| 71 | N | 98.3 | Very high | 98.1 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 175.1 | -73.9 | -33.6 | 0 | 0 | 0 | 112.4 | P67 L69 I73 F74 I75 A115 | P67-N71 WeakPolarHBondContact O-CB 3.47Å; P67-N71 PolarHBondContact O-N 3.47Å; P67-N71 PolarHBondContact O-ND2 3.03Å; L69-N71 VanDerWaalsContact C-N 3.34Å; L69-N71 PolarHBondContact O-N 3.21Å; N71-I73 VanDerWaalsContact C-N 3.31Å; N71-I73 PolarHBondContact O-N 2.89Å; N71-F74 PolarHBondContact O-N 3.31Å; N71-I75 WeakPolarHBondContact O-CD1 3.42Å; N71-I75 VanDerWaalsContact O-CG1 3.25Å; N71-I75 WeakPolarHBondContact O-CG1 3.44Å; N71-I75 PolarHBondContact O-N 3.05Å; N71-A115 VanDerWaalsContact OD1-CB 3.32Å; N71-A115 WeakPolarHBondContact OD1-CB 3.48Å |
| 72 | Q | 98.4 | Very high | 98.1 | Very high | 108 Ų | 108 | 46.3 Ų | 46.3 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 175.7 | -77.2 | 172.4 | -4.5 | 0 | 0 | 112.2 | Q68 L69 V70 I75 N76 | Q68-Q72 WeakPolarHBondContact O-CB 3.27Å; Q68-Q72 VanDerWaalsContact O-CG 3.24Å; Q68-Q72 WeakPolarHBondContact O-CG 3.38Å; Q68-Q72 PolarHBondContact O-N 3.41Å; L69-Q72 WeakPolarHBondContact O-CB 3.44Å; L69-Q72 PolarHBondContact O-N 2.82Å; L69-Q72 VanDerWaalsContact O-N 3.15Å; V70-Q72 VanDerWaalsContact C-N 3.33Å; V70-Q72 PolarHBondContact O-N 3.45Å; Q72-I75 PolarHBondContact O-N 3.35Å; Q72-N76 WeakPolarHBondContact O-CB 3.43Å; Q72-N76 PolarHBondContact O-N 2.8Å; Q72-N76 PolarHBondContact O-ND2 2.91Å |
| 73 | I | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -49.5 | 175.2 | -66.1 | 167.4 | 0 | 0 | 0 | 110.2 | L8 L36 I60 L69 V70 N71 I75 N76 E77 I79 | L8-I73 HydrophobicContact CD2-CG2 4.4Å; L36-I73 HydrophobicContact CD1-CD1 4.21Å; L36-I73 HydrophobicContact CD2-CD1 3.95Å; I60-I73 HydrophobicContact CD1-CD1 3.99Å; I60-I73 HydrophobicContact CD1-CG1 3.93Å; I60-I73 HydrophobicContact CG2-CD1 4.44Å; L69-I73 HydrophobicContact CD1-CD1 4.44Å; L69-I73 HydrophobicContact CG-CD1 4.32Å; L69-I73 WeakPolarHBondContact O-CG1 3.47Å; L69-I73 PolarHBondContact O-N 2.91Å; V70-I73 WeakPolarHBondContact O-CB 3.18Å; V70-I73 PolarHBondContact O-N 2.8Å; N71-I73 VanDerWaalsContact C-N 3.31Å; N71-I73 PolarHBondContact O-N 2.89Å; I73-I75 VanDerWaalsContact C-N 3.29Å; I73-I75 PolarHBondContact O-N 2.86Å; I73-N76 PolarHBondContact O-N 3.48Å; I73-E77 WeakPolarHBondContact O-CB 3.41Å; I73-E77 PolarHBondContact O-N 3.5Å; I73-I79 HydrophobicContact CG2-CD1 4.36Å |
| 74 | F | 98.5 | Very high | 98.2 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.3 | -18.7 | 179.2 | -73.8 | -78.2 | 0 | 0 | 0 | 114.6 | L8 V70 N71 I79 I82 L112 A115 A116 A119 P123 | L8-F74 HydrophobicContact CD2-CE2 4.39Å; L8-F74 HydrophobicContact CD2-CZ 4.13Å; V70-F74 HydrophobicContact CG1-CD2 4.06Å; V70-F74 HydrophobicContact CG1-CE2 3.82Å; V70-F74 VanDerWaalsContact O-CD2 3.27Å; V70-F74 WeakPolarHBondContact O-CD2 3.34Å; V70-F74 PolarHBondContact O-N 3.39Å; N71-F74 PolarHBondContact O-N 3.31Å; F74-I79 HydrophobicContact CD1-CB 4.18Å; F74-I79 HydrophobicContact CD1-CG1 3.96Å; F74-I79 HydrophobicContact CE1-CB 3.84Å; F74-I79 HydrophobicContact CE1-CG1 3.88Å; F74-I79 HydrophobicContact CE1-CG2 4.21Å; F74-I82 HydrophobicContact CE1-CD1 3.91Å; F74-I82 HydrophobicContact CZ-CD1 3.61Å; F74-I82 HydrophobicContact CZ-CG1 4.43Å; F74-L112 HydrophobicContact CE2-CD1 3.98Å; F74-L112 HydrophobicContact CZ-CD1 4.23Å; F74-A115 HydrophobicContact CD2-CB 3.7Å; F74-A115 HydrophobicContact CE2-CB 3.93Å; F74-A116 HydrophobicContact CE1-CB 3.83Å; F74-A116 HydrophobicContact CE2-CB 4.26Å; F74-A116 HydrophobicContact CZ-CB 3.59Å; F74-A119 HydrophobicContact CB-CB 4.04Å; F74-A119 HydrophobicContact CD1-CB 3.77Å; F74-A119 HydrophobicContact CG-CB 4.17Å; F74-P123 HydrophobicContact CE1-CG 4.03Å |
| 75 | I | 97.4 | Very high | 98.3 | Very high | 131 Ų | 131 | 45 Ų | 45 | 67% | 0.672 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -77.2 | -40.3 | 171.9 | -72.2 | 164.2 | 0 | 0 | 0 | 110.6 | N71 Q72 I73 | N71-I75 WeakPolarHBondContact O-CD1 3.42Å; N71-I75 VanDerWaalsContact O-CG1 3.25Å; N71-I75 WeakPolarHBondContact O-CG1 3.44Å; N71-I75 PolarHBondContact O-N 3.05Å; Q72-I75 PolarHBondContact O-N 3.35Å; I73-I75 VanDerWaalsContact C-N 3.29Å; I73-I75 PolarHBondContact O-N 2.86Å |
| 76 | N | 97 | Very high | 98.3 | Very high | 122 Ų | 122 | 44.9 Ų | 44.9 | 65% | 0.652 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -88.5 | -26.2 | -172.1 | -65.9 | -17.6 | 0 | 0 | 0 | 113.1 | Q72 I73 | Q72-N76 WeakPolarHBondContact O-CB 3.43Å; Q72-N76 PolarHBondContact O-N 2.8Å; Q72-N76 PolarHBondContact O-ND2 2.91Å; I73-N76 PolarHBondContact O-N 3.48Å |
| 77 | E | 96.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -126.4 | 132.3 | -170.8 | -56.4 | -81.2 | -172.3 | 0 | 0 | 110.1 | R32 I34 I73 I79 | R32-E77 IonicContact CZ-OE1 2.56Å; R32-E77 IonicContact NE-OE1 3.16Å; R32-E77 PolarHBondContact NE-OE1 2.78Å; R32-E77 IonicContact NE-OE2 2.86Å; R32-E77 PolarHBondContact NE-OE2 2.93Å; R32-E77 VanDerWaalsContact NE-OE2 3.12Å; R32-E77 IonicContact NH2-OE1 3.05Å; R32-E77 PolarHBondContact NH2-OE1 2.89Å; I34-E77 HydrophobicContact CD1-CB 4.03Å; I34-E77 HydrophobicContact CD1-CG 3.62Å; I73-E77 WeakPolarHBondContact O-CB 3.41Å; I73-E77 PolarHBondContact O-N 3.5Å; E77-I79 HydrophobicContact CB-CD1 3.61Å; E77-I79 HydrophobicContact CB-CG1 4.29Å; E77-I79 PolarHBondContact O-N 3.14Å; E77-I79 VanDerWaalsContact O-N 3.08Å |
| 78 | N | 97 | Very high | 98 | Very high | 105 Ų | 105 | 42 Ų | 42 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | trans | -81.6 | 83.6 | 172.7 | -70.8 | -30.4 | 0 | 0 | 0 | 109.3 | T6 D80 H121 | T6-N78 VanDerWaalsContact CB-O 3.3Å; T6-N78 WeakPolarHBondContact CB-O 3.44Å; T6-N78 PolarHBondContact OG1-O 2.99Å; N78-D80 PolarHBondContact O-N 3.34Å; N78-H121 HydrophobicContact CB-CB 4.2Å | ||
| 79 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -73.7 | 116.2 | -177.9 | -53.1 | -55.5 | 0 | 0 | 0 | 110.9 | T6 L8 I34 I73 F74 E77 V81 I82 H121 P123 | T6-I79 HydrophobicContact CG2-CD1 3.64Å; L8-I79 HydrophobicContact CB-CD1 4.22Å; L8-I79 HydrophobicContact CB-CG1 4.5Å; L8-I79 HydrophobicContact CB-CG2 3.79Å; I34-I79 HydrophobicContact CD1-CD1 3.98Å; I73-I79 HydrophobicContact CG2-CD1 4.36Å; F74-I79 HydrophobicContact CD1-CB 4.18Å; F74-I79 HydrophobicContact CD1-CG1 3.96Å; F74-I79 HydrophobicContact CE1-CB 3.84Å; F74-I79 HydrophobicContact CE1-CG1 3.88Å; F74-I79 HydrophobicContact CE1-CG2 4.21Å; E77-I79 HydrophobicContact CB-CD1 3.61Å; E77-I79 HydrophobicContact CB-CG1 4.29Å; E77-I79 PolarHBondContact O-N 3.14Å; E77-I79 VanDerWaalsContact O-N 3.08Å; I79-V81 WeakPolarHBondContact CG2-O 3.49Å; I79-I82 HydrophobicContact CG2-CD1 4.39Å; I79-I82 HydrophobicContact CG2-CG1 3.69Å; I79-H121 PolarHBondContact O-CD2 3.39Å; I79-P123 HydrophobicContact CG2-CG 4.44Å; I79-P123 WeakPolarHBondContact O-CA 3.43Å | ||
| 80 | D | 98.6 | Very high | 97.2 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | trans | -88.7 | -33.3 | 177.6 | -60.5 | -68.6 | 0 | 0 | 0 | 112.7 | R5 T6 N78 H121 P123 Q124 R125 | R5-D80 VanDerWaalsContact CA-OD2 3.22Å; R5-D80 WeakPolarHBondContact CA-OD2 3.27Å; T6-D80 PolarHBondContact N-OD2 3.23Å; T6-D80 PolarHBondContact O-N 2.96Å; N78-D80 PolarHBondContact O-N 3.34Å; D80-H121 IonicContact OD1-CD2 2.77Å; D80-H121 IonicContact OD1-CE1 3.44Å; D80-H121 PolarHBondContact OD1-CE1 3.14Å; D80-H121 IonicContact OD1-NE2 2.78Å; D80-H121 PolarHBondContact OD1-NE2 3.44Å; D80-P123 CarbonylContact O-C 3.57Å; D80-P123 WeakPolarHBondContact O-CA 3.48Å; D80-Q124 PolarHBondContact O-N 3.08Å; D80-R125 PolarHBondContact O-N 3.25Å | ||
| 81 | V | 98.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 138.5 | -174 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | T6 V7 L8 I79 F83 R125 L235 | T6-V81 PolarHBondContact O-N 3.48Å; V7-V81 CarbonylContact C-O 3.53Å; V7-V81 WeakPolarHBondContact CA-O 3.41Å; V7-V81 HydrophobicContact CB-CB 4.43Å; V7-V81 HydrophobicContact CG1-CB 4.11Å; V7-V81 HydrophobicContact CG1-CG1 4Å; V7-V81 HydrophobicContact CG2-CB 4.14Å; L8-V81 PolarHBondContact N-O 3.47Å; I79-V81 WeakPolarHBondContact CG2-O 3.49Å; V81-F83 HydrophobicContact CG1-CD2 4.09Å; V81-F83 HydrophobicContact CG1-CE2 3.92Å; V81-R125 WeakPolarHBondContact CA-O 3.46Å; V81-R125 HydrophobicContact CG1-CB 4.37Å; V81-R125 HydrophobicContact CG2-CB 4.4Å; V81-L235 HydrophobicContact CB-CD1 4.29Å; V81-L235 HydrophobicContact CG1-CD1 3.37Å; V81-L235 HydrophobicContact CG1-CD2 4.24Å; V81-L235 HydrophobicContact CG1-CG 4.45Å; V81-L235 HydrophobicContact CG2-CD1 3.87Å |
| 82 | I | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.2 | 171.8 | -61.1 | 162.8 | 0 | 0 | 0 | 109.3 | L8 F74 I79 H84 L112 A116 P123 R125 F126 V127 | L8-I82 HydrophobicContact CB-CG1 4.3Å; L8-I82 CarbonylContact O-C 3.57Å; L8-I82 WeakPolarHBondContact O-CA 3.32Å; F74-I82 HydrophobicContact CE1-CD1 3.91Å; F74-I82 HydrophobicContact CZ-CD1 3.61Å; F74-I82 HydrophobicContact CZ-CG1 4.43Å; I79-I82 HydrophobicContact CG2-CD1 4.39Å; I79-I82 HydrophobicContact CG2-CG1 3.69Å; I82-H84 HydrophobicContact CG2-CB 4.44Å; I82-L112 HydrophobicContact CG2-CD2 3.93Å; I82-A116 HydrophobicContact CD1-CB 3.61Å; I82-P123 HydrophobicContact CD1-CB 4.09Å; I82-P123 HydrophobicContact CD1-CG 3.55Å; I82-P123 HydrophobicContact CG1-CB 4.39Å; I82-P123 HydrophobicContact CG1-CG 4.2Å; I82-R125 PolarHBondContact N-O 3.24Å; I82-F126 HydrophobicContact CB-CD2 3.93Å; I82-F126 HydrophobicContact CB-CE2 4.4Å; I82-F126 HydrophobicContact CD1-CD2 3.69Å; I82-F126 HydrophobicContact CD1-CE2 4.13Å; I82-F126 HydrophobicContact CG1-CD2 4.43Å; I82-F126 HydrophobicContact CG2-CD2 3.95Å; I82-F126 HydrophobicContact CG2-CE2 3.91Å; I82-V127 PolarHBondContact O-N 2.96Å |
| 83 | F | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.9 | 160.8 | -73.6 | -81.4 | 0 | 0 | 0 | 109.2 | V7 L8 V9 T10 L20 L24 V81 L85 V127 F231 L232 L235 | V7-F83 HydrophobicContact CG1-CD2 3.79Å; V7-F83 HydrophobicContact CG1-CE2 4.16Å; L8-F83 PolarHBondContact O-N 3.01Å; V9-F83 WeakPolarHBondContact CA-O 3.34Å; V9-F83 HydrophobicContact CG1-CB 4.36Å; V9-F83 HydrophobicContact CG2-CB 4.39Å; V9-F83 HydrophobicContact CG2-CD2 4.48Å; T10-F83 PolarHBondContact N-O 3.13Å; L20-F83 HydrophobicContact CD2-CB 3.85Å; L20-F83 HydrophobicContact CD2-CD1 3.83Å; L20-F83 HydrophobicContact CD2-CD2 4.05Å; L20-F83 HydrophobicContact CD2-CE1 4.34Å; L20-F83 HydrophobicContact CD2-CG 3.67Å; L24-F83 HydrophobicContact CD1-CD2 4.25Å; L24-F83 HydrophobicContact CD1-CE2 4.19Å; L24-F83 HydrophobicContact CD2-CE2 4.46Å; V81-F83 HydrophobicContact CG1-CD2 4.09Å; V81-F83 HydrophobicContact CG1-CE2 3.92Å; F83-L85 HydrophobicContact CB-CD1 3.68Å; F83-V127 HydrophobicContact CD1-CB 3.58Å; F83-V127 HydrophobicContact CD1-CG1 3.79Å; F83-V127 HydrophobicContact CD1-CG2 4.07Å; F83-V127 HydrophobicContact CE1-CB 3.83Å; F83-V127 HydrophobicContact CE1-CG1 3.9Å; F83-V127 HydrophobicContact CE1-CG2 3.83Å; F83-V127 HydrophobicContact CG-CB 4.42Å; F83-V127 HydrophobicContact CZ-CG2 4.49Å; F83-F231 HydrophobicContact CE1-CB 3.99Å; F83-L232 HydrophobicContact CZ-CD2 4.48Å; F83-L235 HydrophobicContact CE1-CB 4.48Å; F83-L235 HydrophobicContact CE2-CD2 3.88Å; F83-L235 HydrophobicContact CZ-CB 3.84Å; F83-L235 HydrophobicContact CZ-CD1 4.33Å; F83-L235 HydrophobicContact CZ-CD2 3.75Å; F83-L235 HydrophobicContact CZ-CG 4.18Å |
| 84 | H | 98.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 93.7 | -179.2 | -171 | 29.9 | 0 | 0 | 0 | 111.2 | T10 I82 T109 L112 F126 V127 Y128 V129 | T10-H84 WeakPolarHBondContact OG1-CA 3.35Å; T10-H84 PolarHBondContact OG1-ND1 2.86Å; I82-H84 HydrophobicContact CG2-CB 4.44Å; H84-T109 PolarHBondContact CD2-OG1 3.06Å; H84-T109 WeakPolarHBondContact NE2-CA 3.34Å; H84-T109 PolarHBondContact NE2-OG1 3.06Å; H84-L112 HydrophobicContact CB-CD2 3.96Å; H84-F126 HydrophobicContact CB-CE1 4.26Å; H84-F126 HydrophobicContact CB-CZ 3.99Å; H84-V127 PolarHBondContact N-O 2.79Å; H84-Y128 HydrophobicContact CB-CD2 4.3Å; H84-Y128 AromaticContact CD2-CD2 3.61Å; H84-Y128 AromaticContact CD2-CE2 3.63Å; H84-V129 PolarHBondContact O-N 3.36Å; H84-V129 VanDerWaalsContact O-N 3.13Å |
| 85 | L | 98.6 | Very high | 94.8 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 12% | 0.12 | 21% | 0.21 | C | C | . | . | trans | -107.2 | -15.7 | 176.7 | -59.8 | 92.3 | 0 | 0 | 0 | 113.8 | V9 T10 I16 L20 F83 A87 V129 F231 | V9-L85 HydrophobicContact CG1-CD1 3.81Å; T10-L85 CarbonylContact O-C 3.56Å; T10-L85 WeakPolarHBondContact O-CA 3.37Å; T10-L85 WeakPolarHBondContact O-CB 3.46Å; T10-L85 PolarHBondContact O-N 2.86Å; T10-L85 VanDerWaalsContact O-N 3.12Å; T10-L85 PolarHBondContact OG1-N 3.23Å; I16-L85 HydrophobicContact CB-CD2 4.09Å; I16-L85 HydrophobicContact CG2-CD2 3.69Å; L20-L85 HydrophobicContact CD2-CD1 3.8Å; L20-L85 HydrophobicContact CD2-CD2 4.49Å; F83-L85 HydrophobicContact CB-CD1 3.68Å; L85-A87 PolarHBondContact O-N 3.08Å; L85-A87 VanDerWaalsContact O-N 3.13Å; L85-V129 HydrophobicContact CD1-CG2 4.29Å; L85-V129 HydrophobicContact CD2-CG1 4.47Å; L85-V129 HydrophobicContact CD2-CG2 4.24Å; L85-V129 HydrophobicContact CG-CB 4.02Å; L85-V129 HydrophobicContact CG-CG1 4.48Å; L85-V129 HydrophobicContact CG-CG2 3.76Å; L85-F231 HydrophobicContact CD2-CE2 4.47Å | ||
| 86 | A | 97.9 | Very high | 94.5 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | trans | -57.4 | 117.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T10 V64 | T10-A86 PolarHBondContact O-N 3.26Å; T10-A86 VanDerWaalsContact O-N 3.11Å; T10-A86 PolarHBondContact OG1-N 3.04Å; V64-A86 HydrophobicContact CG1-CB 4.21Å | ||
| 87 | A | 96.5 | Very high | 94.3 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | trans | -163.1 | 155.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L85 T89 N105 K159 | L85-A87 PolarHBondContact O-N 3.08Å; L85-A87 VanDerWaalsContact O-N 3.13Å; A87-T89 HydrophobicContact CB-CG2 4.04Å; A87-N105 VanDerWaalsContact CA-OD1 3.24Å; A87-N105 WeakPolarHBondContact CA-OD1 3.49Å; A87-N105 WeakPolarHBondContact CB-OD1 3.3Å; A87-K159 HydrophobicContact CB-CD 4.48Å | ||
| 88 | K | 93.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | trans | -87.3 | 132.6 | 157.4 | -74.3 | -72.3 | -177.4 | 175 | 0 | 109.4 | D40 V100 F101 I104 N105 Y155 | D40-K88 IonicContact OD1-NZ 2.68Å; D40-K88 PolarHBondContact OD1-NZ 2.9Å; D40-K88 WeakPolarHBondContact OD2-CE 3.16Å; D40-K88 IonicContact OD2-NZ 3.29Å; D40-K88 PolarHBondContact OD2-NZ 2.79Å; K88-V100 HydrophobicContact CG-CG1 4.2Å; K88-F101 VanDerWaalsContact C-CE1 3.45Å; K88-F101 HydrophobicContact CB-CD1 3.7Å; K88-F101 HydrophobicContact CB-CD2 4.23Å; K88-F101 HydrophobicContact CB-CE1 3.63Å; K88-F101 HydrophobicContact CB-CE2 4.16Å; K88-F101 HydrophobicContact CB-CG 4Å; K88-F101 HydrophobicContact CB-CZ 3.86Å; K88-F101 WeakPolarHBondContact O-CD1 3.46Å; K88-F101 WeakPolarHBondContact O-CE1 3.36Å; K88-I104 HydrophobicContact CD-CD1 4.24Å; K88-I104 HydrophobicContact CG-CB 4.29Å; K88-I104 HydrophobicContact CG-CD1 3.51Å; K88-I104 HydrophobicContact CG-CG1 4.47Å; K88-I104 HydrophobicContact CG-CG2 4.36Å; K88-N105 PolarHBondContact N-OD1 2.91Å; K88-N105 PolarHBondContact O-ND2 3.32Å; K88-N105 PolarHBondContact O-OD1 3.37Å; K88-Y155 WeakPolarHBondContact O-CD2 3.31Å; K88-Y155 VanDerWaalsContact O-CE2 3.27Å; K88-Y155 WeakPolarHBondContact O-CE2 3.42Å | ||
| 89 | T | 90.9 | Very high | 94 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | trans | -132.1 | 1.6 | -167.3 | 66.4 | 0 | 0 | 0 | 0 | 115.3 | A87 V91 Y155 K194 | A87-T89 HydrophobicContact CB-CG2 4.04Å; T89-V91 PolarHBondContact O-N 3.42Å; T89-Y155 HydrophobicContact CG2-CE2 3.87Å; T89-K194 PolarHBondContact O-NZ 3.12Å; T89-K194 PolarHBondContact OG1-NZ 2.98Å | ||
| 90 | H | 90.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 13% | 0.125 | 23% | 0.226 | C | C | . | . | trans | -85.6 | 105.4 | -176.9 | -170.1 | -110.3 | 0 | 0 | 0 | 111.3 | E92 S93 S94 F101 E193 | H90-E92 IonicContact CE1-OE2 3.32Å; H90-E92 PolarHBondContact CE1-OE2 3.23Å; H90-E92 VanDerWaalsContact CE1-OE2 3.31Å; H90-E92 IonicContact NE2-OE2 2.72Å; H90-E92 PolarHBondContact O-N 2.94Å; H90-S93 WeakPolarHBondContact ND1-CB 3.1Å; H90-S93 PolarHBondContact ND1-N 3.24Å; H90-S93 PolarHBondContact O-N 3.11Å; H90-S93 VanDerWaalsContact O-N 3.13Å; H90-S94 PolarHBondContact O-N 3.27Å; H90-F101 WeakPolarHBondContact O-CZ 3.39Å; H90-E193 WeakPolarHBondContact CB-OE1 3.31Å; H90-E193 IonicContact CD2-OE1 3.63Å; H90-E193 PolarHBondContact CD2-OE1 2.74Å; H90-E193 VanDerWaalsContact CD2-OE1 3.23Å; H90-E193 IonicContact CD2-OE2 3.47Å; H90-E193 IonicContact CG-OE1 3.42Å; H90-E193 IonicContact CG-OE2 2.92Å | ||
| 91 | V | 88.2 | Confident | 93.8 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.8 | -47.5 | -173.8 | 175.9 | 0 | 0 | 0 | 0 | 113.1 | T89 S93 S94 F95 N153 Y155 | T89-V91 PolarHBondContact O-N 3.42Å; V91-S93 PolarHBondContact O-N 2.98Å; V91-S94 WeakPolarHBondContact O-CB 3.22Å; V91-S94 PolarHBondContact O-N 3.38Å; V91-S94 VanDerWaalsContact O-N 3.15Å; V91-S94 PolarHBondContact O-OG 2.77Å; V91-F95 HydrophobicContact CG1-CE2 4.09Å; V91-F95 WeakPolarHBondContact O-CD2 3.47Å; V91-N153 HydrophobicContact CG1-CB 4.12Å; V91-Y155 HydrophobicContact CG2-CD1 3.94Å |
| 92 | E | 85.2 | Confident | 93.7 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 29% | 0.29 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60 | -46.8 | 178.6 | -67.5 | 177.3 | 151.2 | 0 | 0 | 111.9 | H90 S94 F95 Q212 R283 | H90-E92 IonicContact CE1-OE2 3.32Å; H90-E92 PolarHBondContact CE1-OE2 3.23Å; H90-E92 VanDerWaalsContact CE1-OE2 3.31Å; H90-E92 IonicContact NE2-OE2 2.72Å; H90-E92 PolarHBondContact O-N 2.94Å; E92-S94 PolarHBondContact O-N 3Å; E92-S94 VanDerWaalsContact O-N 3.16Å; E92-F95 PolarHBondContact O-N 2.71Å; E92-F95 VanDerWaalsContact O-N 3.09Å; E92-Q212 PolarHBondContact OE1-NE2 3.38Å; E92-Q212 VanDerWaalsContact OE1-NE2 3.16Å; E92-R283 VanDerWaalsContact CD-NE 3.34Å; E92-R283 IonicContact OE1-CZ 3.54Å; E92-R283 IonicContact OE1-NE 3.23Å; E92-R283 PolarHBondContact OE1-NE 3.24Å; E92-R283 IonicContact OE1-NH2 2.86Å; E92-R283 PolarHBondContact OE1-NH2 3.28Å; E92-R283 IonicContact OE2-NH2 3.81Å |
| 93 | S | 87 | Confident | 93.7 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -23.7 | -178.3 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | H90 V91 F95 E96 Y97 | H90-S93 WeakPolarHBondContact ND1-CB 3.1Å; H90-S93 PolarHBondContact ND1-N 3.24Å; H90-S93 PolarHBondContact O-N 3.11Å; H90-S93 VanDerWaalsContact O-N 3.13Å; V91-S93 PolarHBondContact O-N 2.98Å; S93-F95 VanDerWaalsContact C-N 3.31Å; S93-F95 PolarHBondContact O-N 2.91Å; S93-E96 PolarHBondContact O-N 3.3Å; S93-Y97 PolarHBondContact O-N 2.98Å |
| 94 | S | 91.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.3 | -26.7 | 177.1 | 83 | 0 | 0 | 0 | 0 | 113.7 | H90 V91 E92 P98 P154 Y155 | H90-S94 PolarHBondContact O-N 3.27Å; V91-S94 WeakPolarHBondContact O-CB 3.22Å; V91-S94 PolarHBondContact O-N 3.38Å; V91-S94 VanDerWaalsContact O-N 3.15Å; V91-S94 PolarHBondContact O-OG 2.77Å; E92-S94 PolarHBondContact O-N 3Å; E92-S94 VanDerWaalsContact O-N 3.16Å; S94-P98 VanDerWaalsContact O-CA 3.32Å; S94-P98 WeakPolarHBondContact O-CA 3.16Å; S94-P98 WeakPolarHBondContact O-CB 3.42Å; S94-P154 WeakPolarHBondContact O-CB 3.47Å; S94-Y155 PolarHBondContact OG-N 3.38Å |
| 95 | F | 89.6 | Confident | 93.6 | Very high | 107 Ų | 107 | 53.2 Ų | 53.2 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -76.8 | -34.8 | 172.3 | -70.3 | -80.3 | 0 | 0 | 0 | 111.9 | V91 E92 S93 N153 P154 | V91-F95 HydrophobicContact CG1-CE2 4.09Å; V91-F95 WeakPolarHBondContact O-CD2 3.47Å; E92-F95 PolarHBondContact O-N 2.71Å; E92-F95 VanDerWaalsContact O-N 3.09Å; S93-F95 VanDerWaalsContact C-N 3.31Å; S93-F95 PolarHBondContact O-N 2.91Å; F95-N153 HydrophobicContact CE2-CB 3.95Å; F95-N153 HydrophobicContact CZ-CB 3.72Å; F95-P154 HydrophobicContact CD1-CG 3.87Å; F95-P154 VanDerWaalsContact CE1-CD 3.43Å; F95-P154 HydrophobicContact CE1-CG 4.04Å; F95-P154 HydrophobicContact CG-CG 4.29Å |
| 96 | E | 90.9 | Very high | 93.6 | Very high | 129 Ų | 129 | 53.2 Ų | 53.2 | 60% | 0.603 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -76.1 | -40.4 | 179.3 | -64.9 | 177.7 | -169.6 | 0 | 0 | 112.3 | S93 P98 | S93-E96 PolarHBondContact O-N 3.3Å; E96-P98 VanDerWaalsContact C-CD 3.47Å |
| 97 | Y | 92.8 | Very high | 93.6 | Very high | 131 Ų | 131 | 55.1 Ų | 55.1 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | trans | -131.2 | 57.6 | -173.3 | -48.6 | -78.3 | 0 | 0 | 0 | 112.7 | S93 S99 V100 F101 | S93-Y97 PolarHBondContact O-N 2.98Å; Y97-S99 PolarHBondContact O-N 3.46Å; Y97-V100 PolarHBondContact O-N 3.07Å; Y97-V100 VanDerWaalsContact O-N 3.12Å; Y97-F101 WeakPolarHBondContact O-CD2 3.44Å | ||
| 98 | P | 92.7 | Very high | 93.7 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 41% | 0.409 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -31.1 | -174.1 | 23.7 | -34.4 | 0 | 0 | 0 | 113.6 | S94 E96 V100 F101 Q102 P154 | S94-P98 VanDerWaalsContact O-CA 3.32Å; S94-P98 WeakPolarHBondContact O-CA 3.16Å; S94-P98 WeakPolarHBondContact O-CB 3.42Å; E96-P98 VanDerWaalsContact C-CD 3.47Å; P98-V100 VanDerWaalsContact C-N 3.29Å; P98-V100 PolarHBondContact O-N 3.22Å; P98-F101 PolarHBondContact O-N 3.12Å; P98-Q102 PolarHBondContact O-N 2.66Å; P98-P154 HydrophobicContact CB-CB 4.36Å |
| 99 | S | 95.8 | Very high | 94 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 58% | 0.58 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.3 | -35 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | Y97 F101 Q102 R103 | Y97-S99 PolarHBondContact O-N 3.46Å; S99-F101 VanDerWaalsContact C-N 3.35Å; S99-Q102 PolarHBondContact O-N 3.49Å; S99-R103 WeakPolarHBondContact O-CB 3.29Å; S99-R103 PolarHBondContact O-N 2.94Å |
| 100 | V | 95.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 56 Ų | 56 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 177.4 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | K88 Y97 P98 I104 | K88-V100 HydrophobicContact CG-CG1 4.2Å; Y97-V100 PolarHBondContact O-N 3.07Å; Y97-V100 VanDerWaalsContact O-N 3.12Å; P98-V100 VanDerWaalsContact C-N 3.29Å; P98-V100 PolarHBondContact O-N 3.22Å; V100-I104 HydrophobicContact CG1-CD1 3.88Å; V100-I104 WeakPolarHBondContact O-CG1 3.13Å; V100-I104 PolarHBondContact O-N 2.55Å |
| 101 | F | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 176.1 | -75.5 | -107.9 | 0 | 0 | 0 | 111.1 | K88 H90 Y97 P98 S99 N105 Y155 T158 | K88-F101 VanDerWaalsContact C-CE1 3.45Å; K88-F101 HydrophobicContact CB-CD1 3.7Å; K88-F101 HydrophobicContact CB-CD2 4.23Å; K88-F101 HydrophobicContact CB-CE1 3.63Å; K88-F101 HydrophobicContact CB-CE2 4.16Å; K88-F101 HydrophobicContact CB-CG 4Å; K88-F101 HydrophobicContact CB-CZ 3.86Å; K88-F101 WeakPolarHBondContact O-CD1 3.46Å; K88-F101 WeakPolarHBondContact O-CE1 3.36Å; H90-F101 WeakPolarHBondContact O-CZ 3.39Å; Y97-F101 WeakPolarHBondContact O-CD2 3.44Å; P98-F101 PolarHBondContact O-N 3.12Å; S99-F101 VanDerWaalsContact C-N 3.35Å; F101-N105 WeakPolarHBondContact O-CA 3.2Å; F101-N105 WeakPolarHBondContact O-CB 3.19Å; F101-N105 PolarHBondContact O-N 3.26Å; F101-Y155 HydrophobicContact CD1-CD2 4.07Å; F101-Y155 HydrophobicContact CD1-CG 4.46Å; F101-Y155 HydrophobicContact CE1-CD2 4.05Å; F101-Y155 HydrophobicContact CE1-CG 4.29Å; F101-T158 HydrophobicContact CB-CG2 4.1Å |
| 102 | Q | 97.8 | Very high | 95.2 | Very high | 113 Ų | 113 | 53.6 Ų | 53.6 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -60 | -50.8 | 175 | -179.5 | 178.5 | -22 | 0 | 0 | 111.4 | P98 S99 I104 V106 D107 T158 | P98-Q102 PolarHBondContact O-N 2.66Å; S99-Q102 PolarHBondContact O-N 3.49Å; Q102-I104 PolarHBondContact O-N 3.47Å; Q102-V106 HydrophobicContact CG-CG2 4.5Å; Q102-V106 WeakPolarHBondContact O-CA 3.3Å; Q102-V106 WeakPolarHBondContact O-CB 3.46Å; Q102-V106 PolarHBondContact O-N 2.95Å; Q102-D107 PolarHBondContact O-N 2.73Å; Q102-T158 HydrophobicContact CB-CG2 4.3Å |
| 103 | R | 97.9 | Very high | 95.9 | Very high | 121 Ų | 121 | 50.7 Ų | 50.7 | 46% | 0.457 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -55.7 | -51.5 | 178.9 | 178.6 | -179.5 | 171.6 | -113.9 | -12.2 | 111.4 | D63 C65 S99 D107 G108 | D63-R103 IonicContact OD2-CZ 2.69Å; D63-R103 IonicContact OD2-NH1 3.86Å; D63-R103 IonicContact OD2-NH2 3.51Å; D63-R103 PolarHBondContact OD2-NH2 3.44Å; C65-R103 PolarHBondContact SG-O 3.01Å; S99-R103 WeakPolarHBondContact O-CB 3.29Å; S99-R103 PolarHBondContact O-N 2.94Å; R103-D107 CarbonylContact O-C 3.25Å; R103-D107 WeakPolarHBondContact O-CA 3.47Å; R103-D107 VanDerWaalsContact O-CB 3.23Å; R103-D107 WeakPolarHBondContact O-CB 2.97Å; R103-D107 PolarHBondContact O-N 3.18Å; R103-G108 PolarHBondContact O-N 3.01Å |
| 104 | I | 97.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -77.3 | -49.4 | -172.8 | -66.9 | 170.1 | 0 | 0 | 0 | 111.3 | K88 V100 Q102 G108 | K88-I104 HydrophobicContact CD-CD1 4.24Å; K88-I104 HydrophobicContact CG-CB 4.29Å; K88-I104 HydrophobicContact CG-CD1 3.51Å; K88-I104 HydrophobicContact CG-CG1 4.47Å; K88-I104 HydrophobicContact CG-CG2 4.36Å; V100-I104 HydrophobicContact CG1-CD1 3.88Å; V100-I104 WeakPolarHBondContact O-CG1 3.13Å; V100-I104 PolarHBondContact O-N 2.55Å; Q102-I104 PolarHBondContact O-N 3.47Å; I104-G108 WeakPolarHBondContact O-CA 3.39Å; I104-G108 PolarHBondContact O-N 3.36Å |
| 105 | N | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -78.1 | -33.3 | -172.3 | -59.8 | -10.1 | 0 | 0 | 0 | 112.2 | A87 K88 F101 T109 T158 A162 | A87-N105 VanDerWaalsContact CA-OD1 3.24Å; A87-N105 WeakPolarHBondContact CA-OD1 3.49Å; A87-N105 WeakPolarHBondContact CB-OD1 3.3Å; K88-N105 PolarHBondContact N-OD1 2.91Å; K88-N105 PolarHBondContact O-ND2 3.32Å; K88-N105 PolarHBondContact O-OD1 3.37Å; F101-N105 WeakPolarHBondContact O-CA 3.2Å; F101-N105 WeakPolarHBondContact O-CB 3.19Å; F101-N105 PolarHBondContact O-N 3.26Å; N105-T109 WeakPolarHBondContact O-CB 3.05Å; N105-T109 PolarHBondContact O-OG1 2.98Å; N105-T158 PolarHBondContact ND2-OG1 3.38Å; N105-A162 WeakPolarHBondContact O-CB 3.18Å |
| 106 | V | 98.6 | Very high | 97.2 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -99.7 | -57.7 | -177.3 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | Q102 T109 R110 T158 A161 L165 | Q102-V106 HydrophobicContact CG-CG2 4.5Å; Q102-V106 WeakPolarHBondContact O-CA 3.3Å; Q102-V106 WeakPolarHBondContact O-CB 3.46Å; Q102-V106 PolarHBondContact O-N 2.95Å; V106-T109 PolarHBondContact O-N 3.22Å; V106-R110 WeakPolarHBondContact O-CB 3.21Å; V106-R110 PolarHBondContact O-N 3.47Å; V106-T158 HydrophobicContact CG2-CG2 4.26Å; V106-T158 WeakPolarHBondContact CG2-O 3.02Å; V106-A161 HydrophobicContact CG2-CB 4.01Å; V106-L165 HydrophobicContact CG1-CD1 3.53Å |
| 107 | D | 98.3 | Very high | 97.5 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -68.7 | -38 | -177.2 | -61.8 | -47.8 | 0 | 0 | 0 | 112 | Q102 R103 T109 R110 V111 | Q102-D107 PolarHBondContact O-N 2.73Å; R103-D107 CarbonylContact O-C 3.25Å; R103-D107 WeakPolarHBondContact O-CA 3.47Å; R103-D107 VanDerWaalsContact O-CB 3.23Å; R103-D107 WeakPolarHBondContact O-CB 2.97Å; R103-D107 PolarHBondContact O-N 3.18Å; D107-T109 PolarHBondContact O-N 3.38Å; D107-R110 WeakPolarHBondContact O-CB 3.14Å; D107-R110 PolarHBondContact O-N 3.33Å; D107-R110 IonicContact OD1-NE 2.73Å; D107-V111 WeakPolarHBondContact O-CG2 3.37Å; D107-V111 PolarHBondContact O-N 2.84Å |
| 108 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -46.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R103 I104 R110 V111 L112 | R103-G108 PolarHBondContact O-N 3.01Å; I104-G108 WeakPolarHBondContact O-CA 3.39Å; I104-G108 PolarHBondContact O-N 3.36Å; G108-R110 PolarHBondContact O-N 2.73Å; G108-V111 PolarHBondContact O-N 3.42Å; G108-L112 PolarHBondContact O-N 2.73Å |
| 109 | T | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 174.1 | -63 | 0 | 0 | 0 | 0 | 111.8 | H84 N105 V106 D107 V111 L112 L113 Y128 A162 V166 | H84-T109 PolarHBondContact CD2-OG1 3.06Å; H84-T109 WeakPolarHBondContact NE2-CA 3.34Å; H84-T109 PolarHBondContact NE2-OG1 3.06Å; N105-T109 WeakPolarHBondContact O-CB 3.05Å; N105-T109 PolarHBondContact O-OG1 2.98Å; V106-T109 PolarHBondContact O-N 3.22Å; D107-T109 PolarHBondContact O-N 3.38Å; T109-V111 PolarHBondContact O-N 3.09Å; T109-L112 PolarHBondContact O-N 2.8Å; T109-L113 HydrophobicContact CG2-CD1 3.74Å; T109-L113 HydrophobicContact CG2-CG 4.2Å; T109-L113 WeakPolarHBondContact O-CB 3.36Å; T109-L113 VanDerWaalsContact O-CG 3.31Å; T109-L113 WeakPolarHBondContact O-CG 3.35Å; T109-L113 PolarHBondContact O-N 3.36Å; T109-Y128 HydrophobicContact CG2-CD2 4.35Å; T109-Y128 HydrophobicContact CG2-CE2 3.98Å; T109-A162 HydrophobicContact CG2-CB 4.25Å; T109-V166 HydrophobicContact CG2-CG2 3.7Å |
| 110 | R | 98.7 | Very high | 97.9 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 43% | 0.426 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.6 | -175.9 | -170.8 | 62.3 | 71.6 | 1.2 | 111.9 | V106 D107 G108 D114 L165 | V106-R110 WeakPolarHBondContact O-CB 3.21Å; V106-R110 PolarHBondContact O-N 3.47Å; D107-R110 WeakPolarHBondContact O-CB 3.14Å; D107-R110 PolarHBondContact O-N 3.33Å; D107-R110 IonicContact OD1-NE 2.73Å; G108-R110 PolarHBondContact O-N 2.73Å; R110-D114 WeakPolarHBondContact O-CB 3.38Å; R110-D114 PolarHBondContact O-N 3.38Å; R110-L165 HydrophobicContact CB-CD1 4.27Å |
| 111 | V | 98.8 | Very high | 98 | Very high | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 178.8 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | V64 P67 V70 D107 G108 T109 A115 | V64-V111 VanDerWaalsContact O-CG1 3.31Å; V64-V111 WeakPolarHBondContact O-CG1 3.31Å; P67-V111 HydrophobicContact CB-CG1 4.03Å; V70-V111 HydrophobicContact CB-CG1 4.06Å; V70-V111 HydrophobicContact CG1-CG1 4.33Å; V70-V111 HydrophobicContact CG2-CG1 4.05Å; D107-V111 WeakPolarHBondContact O-CG2 3.37Å; D107-V111 PolarHBondContact O-N 2.84Å; G108-V111 PolarHBondContact O-N 3.42Å; T109-V111 PolarHBondContact O-N 3.09Å; V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 2.99Å; V111-A115 VanDerWaalsContact O-N 3.09Å |
| 112 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | -179.9 | -171.3 | 66.9 | 0 | 0 | 0 | 112.5 | L8 T10 V64 V70 F74 I82 H84 G108 T109 A116 F126 | L8-L112 HydrophobicContact CD2-CD1 4.02Å; T10-L112 HydrophobicContact CG2-CD1 4.31Å; T10-L112 HydrophobicContact CG2-CD2 3.78Å; V64-L112 HydrophobicContact CG2-CB 4.04Å; V64-L112 HydrophobicContact CG2-CD1 4.43Å; V64-L112 HydrophobicContact CG2-CD2 4.38Å; V70-L112 HydrophobicContact CG1-CD1 3.93Å; F74-L112 HydrophobicContact CE2-CD1 3.98Å; F74-L112 HydrophobicContact CZ-CD1 4.23Å; I82-L112 HydrophobicContact CG2-CD2 3.93Å; H84-L112 HydrophobicContact CB-CD2 3.96Å; G108-L112 PolarHBondContact O-N 2.73Å; T109-L112 PolarHBondContact O-N 2.8Å; L112-A116 WeakPolarHBondContact O-CB 3.27Å; L112-A116 PolarHBondContact O-N 3.05Å; L112-F126 HydrophobicContact CD2-CE2 3.91Å; L112-F126 HydrophobicContact CD2-CZ 4.07Å; L112-F126 HydrophobicContact CG-CE2 4.01Å; L112-F126 HydrophobicContact CG-CZ 4.48Å |
| 113 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 177.3 | -78 | 170.2 | 0 | 0 | 0 | 112.2 | T109 A115 A116 H117 F126 L165 V166 Y169 F175 | T109-L113 HydrophobicContact CG2-CD1 3.74Å; T109-L113 HydrophobicContact CG2-CG 4.2Å; T109-L113 WeakPolarHBondContact O-CB 3.36Å; T109-L113 VanDerWaalsContact O-CG 3.31Å; T109-L113 WeakPolarHBondContact O-CG 3.35Å; T109-L113 PolarHBondContact O-N 3.36Å; L113-A115 PolarHBondContact O-N 2.91Å; L113-A116 PolarHBondContact O-N 3.49Å; L113-H117 VanDerWaalsContact O-CB 3.24Å; L113-H117 WeakPolarHBondContact O-CB 3.32Å; L113-H117 PolarHBondContact O-N 3.02Å; L113-F126 HydrophobicContact CD2-CD1 4.09Å; L113-F126 HydrophobicContact CD2-CD2 4.13Å; L113-F126 HydrophobicContact CD2-CE1 3.75Å; L113-F126 HydrophobicContact CD2-CE2 3.78Å; L113-F126 HydrophobicContact CD2-CG 4.29Å; L113-F126 HydrophobicContact CD2-CZ 3.59Å; L113-F126 HydrophobicContact CG-CE1 4.41Å; L113-F126 HydrophobicContact CG-CE2 4.31Å; L113-F126 HydrophobicContact CG-CZ 3.95Å; L113-L165 HydrophobicContact CD1-CB 4.38Å; L113-V166 HydrophobicContact CD1-CB 4.33Å; L113-V166 HydrophobicContact CD1-CG2 3.77Å; L113-V166 HydrophobicContact CD2-CG2 4.35Å; L113-V166 HydrophobicContact CG-CG2 4.44Å; L113-Y169 HydrophobicContact CB-CD2 4.5Å; L113-Y169 HydrophobicContact CB-CE1 4.24Å; L113-Y169 HydrophobicContact CB-CE2 4.19Å; L113-Y169 HydrophobicContact CD1-CD2 4.21Å; L113-Y169 HydrophobicContact CD1-CE2 4.33Å; L113-F175 HydrophobicContact CD2-CD1 4.27Å; L113-F175 HydrophobicContact CD2-CE1 4.01Å |
| 114 | D | 98.2 | Very high | 98 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | -178.4 | -172 | 61.5 | 0 | 0 | 0 | 111.2 | R110 R118 | R110-D114 WeakPolarHBondContact O-CB 3.38Å; R110-D114 PolarHBondContact O-N 3.38Å; D114-R118 VanDerWaalsContact CG-CZ 3.45Å; D114-R118 VanDerWaalsContact CG-NH2 3.35Å; D114-R118 WeakPolarHBondContact O-CB 3.27Å; D114-R118 VanDerWaalsContact O-CG 3.27Å; D114-R118 WeakPolarHBondContact O-CG 3.16Å; D114-R118 PolarHBondContact O-N 2.86Å; D114-R118 IonicContact OD1-CZ 3.49Å; D114-R118 IonicContact OD1-NE 2.64Å; D114-R118 PolarHBondContact OD1-NE 3.09Å; D114-R118 IonicContact OD1-NH2 3.49Å; D114-R118 PolarHBondContact OD1-NH2 3.32Å; D114-R118 IonicContact OD2-CZ 2.66Å; D114-R118 IonicContact OD2-NE 2.96Å; D114-R118 PolarHBondContact OD2-NE 3.13Å; D114-R118 IonicContact OD2-NH1 3.04Å; D114-R118 IonicContact OD2-NH2 3.47Å; D114-R118 PolarHBondContact OD2-NH2 3.12Å |
| 115 | A | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V70 N71 F74 V111 L113 H117 R118 A119 | V70-A115 HydrophobicContact CG1-CB 3.59Å; N71-A115 VanDerWaalsContact OD1-CB 3.32Å; N71-A115 WeakPolarHBondContact OD1-CB 3.48Å; F74-A115 HydrophobicContact CD2-CB 3.7Å; F74-A115 HydrophobicContact CE2-CB 3.93Å; V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 2.99Å; V111-A115 VanDerWaalsContact O-N 3.09Å; L113-A115 PolarHBondContact O-N 2.91Å; A115-H117 PolarHBondContact O-N 3.08Å; A115-R118 PolarHBondContact O-N 3.03Å; A115-A119 PolarHBondContact O-N 3.26Å |
| 116 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F74 I82 L112 L113 A119 P123 F175 | F74-A116 HydrophobicContact CE1-CB 3.83Å; F74-A116 HydrophobicContact CE2-CB 4.26Å; F74-A116 HydrophobicContact CZ-CB 3.59Å; I82-A116 HydrophobicContact CD1-CB 3.61Å; L112-A116 WeakPolarHBondContact O-CB 3.27Å; L112-A116 PolarHBondContact O-N 3.05Å; L113-A116 PolarHBondContact O-N 3.49Å; A116-A119 WeakPolarHBondContact O-CB 3.34Å; A116-P123 HydrophobicContact CB-CG 4.17Å; A116-P123 WeakPolarHBondContact O-CD 3.44Å; A116-F175 HydrophobicContact CB-CE2 4.42Å; A116-F175 HydrophobicContact CB-CZ 3.73Å |
| 117 | H | 98.1 | Very high | 98.1 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 177.8 | 175.8 | 57.5 | 0 | 0 | 0 | 112.4 | L113 A115 A119 Q122 Y169 Y173 F175 | L113-H117 VanDerWaalsContact O-CB 3.24Å; L113-H117 WeakPolarHBondContact O-CB 3.32Å; L113-H117 PolarHBondContact O-N 3.02Å; A115-H117 PolarHBondContact O-N 3.08Å; H117-A119 VanDerWaalsContact C-N 3.34Å; H117-Q122 PolarHBondContact O-NE2 3.03Å; H117-Y169 HydrophobicContact CB-CD1 3.92Å; H117-Y169 HydrophobicContact CB-CE1 3.68Å; H117-Y169 AromaticContact CG-CE1 3.91Å; H117-Y173 AromaticContact CE1-CD1 3.87Å; H117-Y173 AromaticContact CE1-CD2 3.94Å; H117-Y173 AromaticContact CE1-CG 3.56Å; H117-Y173 AromaticContact NE2-CD1 3.81Å; H117-Y173 AromaticContact NE2-CD2 3.89Å; H117-Y173 AromaticContact NE2-CG 3.76Å; H117-F175 HydrophobicContact CB-CD2 4.23Å; H117-F175 HydrophobicContact CB-CE2 4.3Å |
| 118 | R | 97.4 | Very high | 98.1 | Very high | 176 Ų | 176 | 47 Ų | 47 | 66% | 0.664 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -84.5 | -7 | 179.4 | -66.1 | 178.4 | -168.3 | -172.5 | 8.3 | 114 | D114 A115 | D114-R118 VanDerWaalsContact CG-CZ 3.45Å; D114-R118 VanDerWaalsContact CG-NH2 3.35Å; D114-R118 WeakPolarHBondContact O-CB 3.27Å; D114-R118 VanDerWaalsContact O-CG 3.27Å; D114-R118 WeakPolarHBondContact O-CG 3.16Å; D114-R118 PolarHBondContact O-N 2.86Å; D114-R118 IonicContact OD1-CZ 3.49Å; D114-R118 IonicContact OD1-NE 2.64Å; D114-R118 PolarHBondContact OD1-NE 3.09Å; D114-R118 IonicContact OD1-NH2 3.49Å; D114-R118 PolarHBondContact OD1-NH2 3.32Å; D114-R118 IonicContact OD2-CZ 2.66Å; D114-R118 IonicContact OD2-NE 2.96Å; D114-R118 PolarHBondContact OD2-NE 3.13Å; D114-R118 IonicContact OD2-NH1 3.04Å; D114-R118 IonicContact OD2-NH2 3.47Å; D114-R118 PolarHBondContact OD2-NH2 3.12Å; A115-R118 PolarHBondContact O-N 3.03Å |
| 119 | A | 97.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | trans | -58 | 142.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F74 A115 A116 H117 H121 | F74-A119 HydrophobicContact CB-CB 4.04Å; F74-A119 HydrophobicContact CD1-CB 3.77Å; F74-A119 HydrophobicContact CG-CB 4.17Å; A115-A119 PolarHBondContact O-N 3.26Å; A116-A119 WeakPolarHBondContact O-CB 3.34Å; H117-A119 VanDerWaalsContact C-N 3.34Å; A119-H121 VanDerWaalsContact C-N 3.26Å; A119-H121 WeakPolarHBondContact CB-O 3.15Å; A119-H121 PolarHBondContact O-N 3.26Å | ||
| 120 | R | 95.7 | Very high | 98.1 | Very high | 260 Ų | 260 | 47.9 Ų | 47.9 | 98% | 0.981 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -61.8 | -39.5 | 175.2 | -69.2 | -174.8 | 179.7 | -171.1 | 0.9 | 111.2 | ||
| 121 | H | 96.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 28% | 0.282 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -100.3 | 98 | 169.2 | -176.1 | 80.5 | 0 | 0 | 0 | 108.2 | N78 I79 D80 A119 | N78-H121 HydrophobicContact CB-CB 4.2Å; I79-H121 PolarHBondContact O-CD2 3.39Å; D80-H121 IonicContact OD1-CD2 2.77Å; D80-H121 IonicContact OD1-CE1 3.44Å; D80-H121 PolarHBondContact OD1-CE1 3.14Å; D80-H121 IonicContact OD1-NE2 2.78Å; D80-H121 PolarHBondContact OD1-NE2 3.44Å; A119-H121 VanDerWaalsContact C-N 3.26Å; A119-H121 WeakPolarHBondContact CB-O 3.15Å; A119-H121 PolarHBondContact O-N 3.26Å |
| 122 | Q | 96.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 42.6 Ų | 42.6 | 46% | 0.463 | 18% | 0.184 | S | C | . | . | trans | -73.4 | 132.2 | 179.6 | -73.6 | -174.7 | -0.1 | 0 | 0 | 110.5 | H117 | H117-Q122 PolarHBondContact O-NE2 3.03Š| ||
| 123 | P | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | trans | -57.2 | 143.1 | 174.2 | -23.4 | 32.5 | 0 | 0 | 0 | 111.6 | F74 I79 D80 I82 A116 P176 | F74-P123 HydrophobicContact CE1-CG 4.03Å; I79-P123 HydrophobicContact CG2-CG 4.44Å; I79-P123 WeakPolarHBondContact O-CA 3.43Å; D80-P123 CarbonylContact O-C 3.57Å; D80-P123 WeakPolarHBondContact O-CA 3.48Å; I82-P123 HydrophobicContact CD1-CB 4.09Å; I82-P123 HydrophobicContact CD1-CG 3.55Å; I82-P123 HydrophobicContact CG1-CB 4.39Å; I82-P123 HydrophobicContact CG1-CG 4.2Å; A116-P123 HydrophobicContact CB-CG 4.17Å; A116-P123 WeakPolarHBondContact O-CD 3.44Å; P123-P176 WeakPolarHBondContact O-CG 3.36Å | ||
| 124 | Q | 97.9 | Very high | 97.7 | Very high | 102 Ų | 102 | 43.7 Ų | 43.7 | 48% | 0.477 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -84.4 | -17.7 | 177.7 | -60.8 | 177.1 | 3.4 | 0 | 0 | 112.3 | D80 P176 | D80-Q124 PolarHBondContact O-N 3.08Å; Q124-P176 VanDerWaalsContact C-CG 3.47Å; Q124-P176 VanDerWaalsContact O-CB 3.24Å; Q124-P176 WeakPolarHBondContact O-CB 3.45Å; Q124-P176 WeakPolarHBondContact O-CG 3.46Å |
| 125 | R | 98.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 127.1 | 178.5 | -63.9 | -68.8 | -173.9 | -77.2 | -2 | 110.4 | D80 V81 I82 P176 L235 | D80-R125 PolarHBondContact O-N 3.25Å; V81-R125 WeakPolarHBondContact CA-O 3.46Å; V81-R125 HydrophobicContact CG1-CB 4.37Å; V81-R125 HydrophobicContact CG2-CB 4.4Å; I82-R125 PolarHBondContact N-O 3.24Å; R125-P176 CarbonylContact C-O 3.5Å; R125-P176 WeakPolarHBondContact CA-O 3.22Å; R125-L235 HydrophobicContact CB-CD1 3.77Å; R125-L235 HydrophobicContact CG-CD1 3.83Å |
| 126 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 98.3 | 169.1 | -175.2 | -78.4 | 0 | 0 | 0 | 108.9 | I82 H84 L112 L113 Y128 V166 F175 P176 I177 I178 | I82-F126 HydrophobicContact CB-CD2 3.93Å; I82-F126 HydrophobicContact CB-CE2 4.4Å; I82-F126 HydrophobicContact CD1-CD2 3.69Å; I82-F126 HydrophobicContact CD1-CE2 4.13Å; I82-F126 HydrophobicContact CG1-CD2 4.43Å; I82-F126 HydrophobicContact CG2-CD2 3.95Å; I82-F126 HydrophobicContact CG2-CE2 3.91Å; H84-F126 HydrophobicContact CB-CE1 4.26Å; H84-F126 HydrophobicContact CB-CZ 3.99Å; L112-F126 HydrophobicContact CD2-CE2 3.91Å; L112-F126 HydrophobicContact CD2-CZ 4.07Å; L112-F126 HydrophobicContact CG-CE2 4.01Å; L112-F126 HydrophobicContact CG-CZ 4.48Å; L113-F126 HydrophobicContact CD2-CD1 4.09Å; L113-F126 HydrophobicContact CD2-CD2 4.13Å; L113-F126 HydrophobicContact CD2-CE1 3.75Å; L113-F126 HydrophobicContact CD2-CE2 3.78Å; L113-F126 HydrophobicContact CD2-CG 4.29Å; L113-F126 HydrophobicContact CD2-CZ 3.59Å; L113-F126 HydrophobicContact CG-CE1 4.41Å; L113-F126 HydrophobicContact CG-CE2 4.31Å; L113-F126 HydrophobicContact CG-CZ 3.95Å; F126-Y128 HydrophobicContact CE1-CD2 4.33Å; F126-V166 HydrophobicContact CD1-CG1 4.39Å; F126-V166 HydrophobicContact CE1-CG1 4.41Å; F126-V166 HydrophobicContact CE1-CG2 4.13Å; F126-F175 HydrophobicContact CB-CE1 3.69Å; F126-F175 HydrophobicContact CB-CZ 4.27Å; F126-F175 AromaticContact CD2-CE1 3.84Å; F126-F175 HydrophobicContact CD2-CE1 3.84Å; F126-F175 HydrophobicContact CD2-CZ 4.27Å; F126-F175 AromaticContact CG-CE1 3.88Å; F126-F175 HydrophobicContact CG-CE1 3.88Å; F126-P176 PolarHBondContact N-O 3.43Å; F126-I177 HydrophobicContact CB-CG2 4.28Å; F126-I177 HydrophobicContact CD1-CG2 4.27Å; F126-I177 CarbonylContact O-C 3.46Å; F126-I177 VanDerWaalsContact O-CA 3.31Å; F126-I177 WeakPolarHBondContact O-CA 3.35Å; F126-I178 PolarHBondContact O-N 2.96Å |
| 127 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 107.1 | 179.3 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | I82 F83 H84 I178 T180 L235 | I82-V127 PolarHBondContact O-N 2.96Å; F83-V127 HydrophobicContact CD1-CB 3.58Å; F83-V127 HydrophobicContact CD1-CG1 3.79Å; F83-V127 HydrophobicContact CD1-CG2 4.07Å; F83-V127 HydrophobicContact CE1-CB 3.83Å; F83-V127 HydrophobicContact CE1-CG1 3.9Å; F83-V127 HydrophobicContact CE1-CG2 3.83Å; F83-V127 HydrophobicContact CG-CB 4.42Å; F83-V127 HydrophobicContact CZ-CG2 4.49Å; H84-V127 PolarHBondContact N-O 2.79Å; V127-I178 CarbonylContact C-O 3.55Å; V127-I178 WeakPolarHBondContact CA-O 3.46Å; V127-T180 HydrophobicContact CG1-CG2 4.22Å; V127-L235 HydrophobicContact CG2-CD1 4.47Å |
| 128 | Y | 98.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.6 | 174 | -175.7 | -104.9 | 0 | 0 | 0 | 110.6 | H84 T109 F126 K159 A162 E163 V166 I178 I179 T180 | H84-Y128 HydrophobicContact CB-CD2 4.3Å; H84-Y128 AromaticContact CD2-CD2 3.61Å; H84-Y128 AromaticContact CD2-CE2 3.63Å; T109-Y128 HydrophobicContact CG2-CD2 4.35Å; T109-Y128 HydrophobicContact CG2-CE2 3.98Å; F126-Y128 HydrophobicContact CE1-CD2 4.33Å; Y128-K159 VanDerWaalsContact CZ-NZ 3.29Å; Y128-K159 WeakPolarHBondContact OH-CE 3.43Å; Y128-K159 PolarHBondContact OH-NZ 3.32Å; Y128-A162 HydrophobicContact CE2-CB 4.29Å; Y128-A162 WeakPolarHBondContact OH-CB 3.5Å; Y128-E163 HydrophobicContact CD1-CG 3.94Å; Y128-E163 HydrophobicContact CE1-CG 3.62Å; Y128-V166 HydrophobicContact CD1-CG2 4.47Å; Y128-V166 HydrophobicContact CD2-CG2 3.88Å; Y128-V166 HydrophobicContact CE2-CG2 4.38Å; Y128-V166 HydrophobicContact CG-CG2 3.92Å; Y128-I178 PolarHBondContact N-O 3.06Å; Y128-I179 HydrophobicContact CD1-CG1 4.35Å; Y128-I179 HydrophobicContact CD1-CG2 4.17Å; Y128-I179 WeakPolarHBondContact O-CA 3.24Å; Y128-T180 PolarHBondContact O-N 3.27Å |
| 129 | V | 98.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 112.3 | -180 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | H84 L85 K159 F231 | H84-V129 PolarHBondContact O-N 3.36Å; H84-V129 VanDerWaalsContact O-N 3.13Å; L85-V129 HydrophobicContact CD1-CG2 4.29Å; L85-V129 HydrophobicContact CD2-CG1 4.47Å; L85-V129 HydrophobicContact CD2-CG2 4.24Å; L85-V129 HydrophobicContact CG-CB 4.02Å; L85-V129 HydrophobicContact CG-CG1 4.48Å; L85-V129 HydrophobicContact CG-CG2 3.76Å; V129-K159 PolarHBondContact O-NZ 3.26Å; V129-F231 HydrophobicContact CG1-CE1 4.26Å; V129-F231 HydrophobicContact CG1-CE2 4.1Å; V129-F231 HydrophobicContact CG1-CZ 3.63Å; V129-F231 HydrophobicContact CG2-CE2 4.27Å; V129-F231 HydrophobicContact CG2-CZ 4.27Å |
| 130 | S | 98.5 | Very high | 95 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -167.4 | -179.7 | -158.1 | 0 | 0 | 0 | 0 | 111.9 | E163 T180 S182 | S130-E163 WeakPolarHBondContact CB-OE1 3.38Å; S130-E163 PolarHBondContact OG-OE1 3.1Å; S130-T180 CarbonylContact C-O 3.51Å; S130-T180 WeakPolarHBondContact CA-O 3.45Å; S130-T180 WeakPolarHBondContact CB-O 3.31Å; S130-T180 PolarHBondContact N-O 2.83Å; S130-S182 PolarHBondContact O-N 3.3Å |
| 131 | T | 98 | Very high | 94.7 | Very high | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 152.6 | -171.6 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | E133 V134 Y155 K159 | T131-E133 HydrophobicContact CG2-CB 3.98Å; T131-E133 PolarHBondContact O-N 2.96Å; T131-E133 PolarHBondContact OG1-N 3.25Å; T131-E133 VanDerWaalsContact OG1-N 3.16Å; T131-V134 HydrophobicContact CG2-CG1 3.94Å; T131-V134 WeakPolarHBondContact O-CG2 3.35Å; T131-Y155 HydrophobicContact CG2-CE1 4.03Å; T131-K159 HydrophobicContact CG2-CB 4.25Å; T131-K159 HydrophobicContact CG2-CG 4.23Å |
| 132 | D | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -63.3 | -22.8 | 167.3 | 59.7 | -12 | 0 | 0 | 0 | 114 | V134 Y135 S182 N183 Y290 I292 | D132-V134 PolarHBondContact O-N 3.28Å; D132-Y135 HydrophobicContact CB-CD2 4.4Å; D132-Y135 WeakPolarHBondContact O-CB 3.37Å; D132-Y135 VanDerWaalsContact O-CD2 3.29Å; D132-Y135 WeakPolarHBondContact O-CD2 3.49Å; D132-Y135 PolarHBondContact O-N 2.89Å; D132-S182 PolarHBondContact N-O 2.94Å; D132-N183 WeakPolarHBondContact OD2-CA 3.49Å; D132-N183 PolarHBondContact OD2-ND2 3.22Å; D132-Y290 WeakPolarHBondContact OD2-CB 3.49Å; D132-I292 HydrophobicContact CB-CD1 4.26Å; D132-I292 HydrophobicContact CB-CG2 3.56Å |
| 133 | E | 95.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 36 Ų | 36 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -58.6 | -20 | 177.8 | -63.8 | -169.5 | -143.9 | 0 | 0 | 113.1 | T131 Y135 G136 N153 A156 Y290 | T131-E133 HydrophobicContact CG2-CB 3.98Å; T131-E133 PolarHBondContact O-N 2.96Å; T131-E133 PolarHBondContact OG1-N 3.25Å; T131-E133 VanDerWaalsContact OG1-N 3.16Å; E133-Y135 PolarHBondContact O-N 3.44Å; E133-G136 PolarHBondContact O-N 3.02Å; E133-G136 VanDerWaalsContact O-N 3.09Å; E133-N153 PolarHBondContact OE2-ND2 3.27Å; E133-A156 HydrophobicContact CB-CB 3.78Å; E133-Y290 HydrophobicContact CB-CE1 4.24Å; E133-Y290 HydrophobicContact CG-CD2 4.46Å; E133-Y290 HydrophobicContact CG-CE1 4.06Å; E133-Y290 HydrophobicContact CG-CE2 3.94Å |
| 134 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -62.9 | -26.1 | 174.8 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | T131 D132 G136 L149 R150 K159 A160 R181 | T131-V134 HydrophobicContact CG2-CG1 3.94Å; T131-V134 WeakPolarHBondContact O-CG2 3.35Å; D132-V134 PolarHBondContact O-N 3.28Å; V134-G136 VanDerWaalsContact C-N 3.28Å; V134-L149 HydrophobicContact CB-CD2 4.2Å; V134-L149 HydrophobicContact CG2-CD2 3.68Å; V134-L149 CarbonylContact O-C 3.56Å; V134-L149 WeakPolarHBondContact O-CA 3.45Å; V134-L149 WeakPolarHBondContact O-CB 3.42Å; V134-R150 PolarHBondContact O-N 2.78Å; V134-K159 HydrophobicContact CG1-CB 3.97Å; V134-A160 HydrophobicContact CB-CB 4.24Å; V134-A160 HydrophobicContact CG1-CB 4.18Å; V134-R181 HydrophobicContact CG2-CG 4.32Å |
| 135 | Y | 96.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -75 | -20.7 | 176.2 | -62.9 | -64.8 | 0 | 0 | 0 | 112.5 | D132 E133 F143 D144 E145 L149 R181 N245 I292 | D132-Y135 HydrophobicContact CB-CD2 4.4Å; D132-Y135 WeakPolarHBondContact O-CB 3.37Å; D132-Y135 VanDerWaalsContact O-CD2 3.29Å; D132-Y135 WeakPolarHBondContact O-CD2 3.49Å; D132-Y135 PolarHBondContact O-N 2.89Å; E133-Y135 PolarHBondContact O-N 3.44Å; Y135-F143 VanDerWaalsContact CB-CD2 3.42Å; Y135-F143 HydrophobicContact CD1-CB 3.97Å; Y135-F143 HydrophobicContact CD1-CG 4.25Å; Y135-F143 HydrophobicContact CD2-CB 3.97Å; Y135-F143 HydrophobicContact CD2-CD2 4.44Å; Y135-F143 HydrophobicContact CD2-CG 4.48Å; Y135-F143 HydrophobicContact CE1-CB 4.3Å; Y135-F143 HydrophobicContact CE2-CB 4.31Å; Y135-F143 HydrophobicContact CG-CB 3.79Å; Y135-F143 HydrophobicContact CG-CD2 4.01Å; Y135-F143 AromaticContact CG-CG 3.95Å; Y135-F143 HydrophobicContact CG-CG 3.95Å; Y135-D144 WeakPolarHBondContact CE1-O 3.36Å; Y135-D144 PolarHBondContact OH-O 3.2Å; Y135-E145 WeakPolarHBondContact OH-CA 3.44Å; Y135-L149 HydrophobicContact CD1-CD2 4.03Å; Y135-L149 HydrophobicContact CE1-CD2 4.08Å; Y135-R181 HydrophobicContact CE2-CB 4.37Å; Y135-R181 VanDerWaalsContact CZ-CD 3.48Å; Y135-R181 VanDerWaalsContact CZ-NH1 3.26Å; Y135-R181 WeakPolarHBondContact OH-CD 3.25Å; Y135-R181 PolarHBondContact OH-NH1 3.19Å; Y135-N245 WeakPolarHBondContact CE2-OD1 3.36Å; Y135-N245 PolarHBondContact OH-ND2 3.4Å; Y135-N245 PolarHBondContact OH-OD1 2.88Å; Y135-I292 HydrophobicContact CD2-CG2 3.93Å; Y135-I292 HydrophobicContact CE2-CG2 3.97Å |
| 136 | G | 92.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | 79.9 | -172.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E133 V134 R150 Y290 | E133-G136 PolarHBondContact O-N 3.02Å; E133-G136 VanDerWaalsContact O-N 3.09Å; V134-G136 VanDerWaalsContact C-N 3.28Å; G136-R150 WeakPolarHBondContact CA-O 3.48Å; G136-Y290 VanDerWaalsContact O-CD1 3.31Å; G136-Y290 WeakPolarHBondContact O-CD1 3.44Å | ||
| 137 | T | 89.7 | Confident | 94.2 | Very high | 58 Ų | 58 | 35.7 Ų | 35.7 | 36% | 0.356 | 21% | 0.213 | S | C | . | . | trans | -89.8 | 149.7 | -176.7 | -163.2 | 0 | 0 | 0 | 0 | 112.7 | L288 R289 | T137-L288 PolarHBondContact OG1-N 3.32Å; T137-R289 WeakPolarHBondContact CA-O 3.41Å; T137-R289 PolarHBondContact OG1-N 2.98Å; T137-R289 PolarHBondContact OG1-O 3.41Å | ||
| 138 | S | 88 | Confident | 94.1 | Very high | 17 Ų | 17 | 39 Ų | 39 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | trans | -147.7 | 138.9 | 174.6 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | E141 R289 | S138-E141 WeakPolarHBondContact CB-O 3.09Å; S138-E141 PolarHBondContact OG-N 3.11Å; S138-E141 PolarHBondContact OG-O 3Å; S138-R289 PolarHBondContact N-O 3.28Å; S138-R289 WeakPolarHBondContact O-CB 3.31Å | ||
| 139 | L | 84.1 | Confident | 94 | Very high | 93 Ų | 93 | 40 Ų | 40 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -92.8 | -32 | 175.5 | -70.1 | 178.3 | 0 | 0 | 0 | 112.7 | L288 R289 | L139-L288 HydrophobicContact CD2-CB 4.08Å; L139-L288 HydrophobicContact CD2-CD1 3.86Å; L139-R289 PolarHBondContact O-NH1 2.92Å |
| 140 | D | 80.7 | Confident | 93.9 | Very high | 157 Ų | 157 | 47.6 Ų | 47.6 | 84% | 0.84 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -119.3 | -24.3 | -166.1 | -56.1 | -49.4 | 0 | 0 | 0 | 113.1 | ||
| 141 | E | 87.8 | Confident | 93.7 | Very high | 137 Ų | 137 | 49.4 Ų | 49.4 | 64% | 0.64 | 28% | 0.278 | S | S | * | . | trans | -117.7 | 132.1 | -171.9 | -62.6 | -174.2 | 162.2 | 0 | 0 | 112.2 | S138 P291 | S138-E141 WeakPolarHBondContact CB-O 3.09Å; S138-E141 PolarHBondContact OG-N 3.11Å; S138-E141 PolarHBondContact OG-O 3Å; E141-P291 WeakPolarHBondContact O-CG 3.38Å | ||
| 142 | A | 92.6 | Very high | 93.5 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 31% | 0.306 | 29% | 0.285 | S | S | . | . | trans | -91.4 | 129.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P291 R293 | A142-P291 HydrophobicContact CB-CB 3.97Å; A142-R293 HydrophobicContact CB-CG 3.9Å; A142-R293 PolarHBondContact O-NE 2.82Å; A142-R293 PolarHBondContact O-NH2 2.87Å; A142-R293 VanDerWaalsContact O-NH2 3.11Å | ||
| 143 | F | 95.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 51 Ų | 51 | 9% | 0.088 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 131.6 | -175.3 | -61 | -62 | 0 | 0 | 0 | 112.6 | Y135 N245 P291 I292 R293 | Y135-F143 VanDerWaalsContact CB-CD2 3.42Å; Y135-F143 HydrophobicContact CD1-CB 3.97Å; Y135-F143 HydrophobicContact CD1-CG 4.25Å; Y135-F143 HydrophobicContact CD2-CB 3.97Å; Y135-F143 HydrophobicContact CD2-CD2 4.44Å; Y135-F143 HydrophobicContact CD2-CG 4.48Å; Y135-F143 HydrophobicContact CE1-CB 4.3Å; Y135-F143 HydrophobicContact CE2-CB 4.31Å; Y135-F143 HydrophobicContact CG-CB 3.79Å; Y135-F143 HydrophobicContact CG-CD2 4.01Å; Y135-F143 AromaticContact CG-CG 3.95Å; Y135-F143 HydrophobicContact CG-CG 3.95Å; F143-N245 PolarHBondContact O-ND2 2.87Å; F143-N245 VanDerWaalsContact O-ND2 3.13Å; F143-P291 PolarHBondContact N-O 3.23Å; F143-I292 CarbonylContact O-C 3.55Å; F143-I292 VanDerWaalsContact O-CA 3.29Å; F143-I292 WeakPolarHBondContact O-CA 3.48Å; F143-R293 PolarHBondContact O-N 3.38Å |
| 144 | D | 97.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 51.4 Ų | 51.4 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | trans | -98.1 | 178 | 166.2 | 58.1 | 33.6 | 0 | 0 | 0 | 110.7 | Y135 G146 S147 R293 | Y135-D144 WeakPolarHBondContact CE1-O 3.36Å; Y135-D144 PolarHBondContact OH-O 3.2Å; D144-G146 PolarHBondContact O-N 3.11Å; D144-G146 VanDerWaalsContact O-N 3.15Å; D144-G146 PolarHBondContact OD1-N 2.8Å; D144-G146 VanDerWaalsContact OD1-N 3.16Å; D144-S147 PolarHBondContact N-OG 2.98Å; D144-S147 WeakPolarHBondContact O-CB 3.45Å; D144-S147 PolarHBondContact O-N 3.39Å; D144-S147 PolarHBondContact O-OG 2.85Å; D144-S147 PolarHBondContact OD1-N 2.72Å; D144-S147 VanDerWaalsContact OD1-N 3.15Å; D144-S147 PolarHBondContact OD1-OG 3.47Å; D144-R293 HydrophobicContact CB-CB 4.34Å; D144-R293 IonicContact OD2-CZ 2.7Å; D144-R293 IonicContact OD2-NH1 3.93Å; D144-R293 PolarHBondContact OD2-NH1 2.76Å; D144-R293 IonicContact OD2-NH2 3.38Å; D144-R293 PolarHBondContact OD2-NH2 3.48Å | ||
| 145 | E | 98.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.1 | -175.7 | -61.4 | 92.8 | 161.6 | 0 | 0 | 114.6 | Y135 R181 V243 N245 K296 | Y135-E145 WeakPolarHBondContact OH-CA 3.44Å; E145-R181 PolarHBondContact O-NH1 2.94Å; E145-V243 HydrophobicContact CB-CB 4.19Å; E145-V243 HydrophobicContact CB-CG1 4.28Å; E145-V243 HydrophobicContact CG-CB 4.31Å; E145-V243 HydrophobicContact CG-CG1 4.09Å; E145-V243 WeakPolarHBondContact CG-O 3.31Å; E145-N245 HydrophobicContact CG-CB 4.25Å; E145-N245 WeakPolarHBondContact OE1-CB 3.3Å; E145-N245 PolarHBondContact OE1-N 3.35Å; E145-K296 HydrophobicContact CG-CD 4.42Å; E145-K296 WeakPolarHBondContact OE1-CB 3.35Å |
| 146 | G | 96.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 74% | 0.742 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -9.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D144 | D144-G146 PolarHBondContact O-N 3.11Å; D144-G146 VanDerWaalsContact O-N 3.15Å; D144-G146 PolarHBondContact OD1-N 2.8Å; D144-G146 VanDerWaalsContact OD1-N 3.16Å |
| 147 | S | 97.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -67.5 | 147.3 | -179.8 | -61.7 | 0 | 0 | 0 | 0 | 112 | D144 | D144-S147 PolarHBondContact N-OG 2.98Å; D144-S147 WeakPolarHBondContact O-CB 3.45Å; D144-S147 PolarHBondContact O-N 3.39Å; D144-S147 PolarHBondContact O-OG 2.85Å; D144-S147 PolarHBondContact OD1-N 2.72Å; D144-S147 VanDerWaalsContact OD1-N 3.15Å; D144-S147 PolarHBondContact OD1-OG 3.47Å |
| 148 | P | 96 | Very high | 93.8 | Very high | 68 Ų | 68 | 52 Ų | 52 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 148 | -177.1 | 29 | -35.4 | 0 | 0 | 0 | 111.8 | ||
| 149 | L | 97.4 | Very high | 94.4 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 119.8 | 172.8 | -46.8 | -177.2 | 0 | 0 | 0 | 109.7 | V134 Y135 P151 A160 Y164 R181 | V134-L149 HydrophobicContact CB-CD2 4.2Å; V134-L149 HydrophobicContact CG2-CD2 3.68Å; V134-L149 CarbonylContact O-C 3.56Å; V134-L149 WeakPolarHBondContact O-CA 3.45Å; V134-L149 WeakPolarHBondContact O-CB 3.42Å; Y135-L149 HydrophobicContact CD1-CD2 4.03Å; Y135-L149 HydrophobicContact CE1-CD2 4.08Å; L149-P151 VanDerWaalsContact C-CD 3.5Å; L149-A160 HydrophobicContact CB-CB 4.46Å; L149-A160 HydrophobicContact CD1-CB 4.14Å; L149-Y164 HydrophobicContact CD1-CE2 4.09Å; L149-R181 VanDerWaalsContact CD2-NH2 3.31Å |
| 150 | R | 96.1 | Very high | 95 | Very high | 174 Ų | 174 | 47.3 Ų | 47.3 | 66% | 0.657 | 27% | 0.272 | S | S | * | . | trans | -133.6 | 60.2 | -180 | -60.5 | -179.5 | -179 | 171.2 | 2.2 | 110.5 | V134 G136 T152 | V134-R150 PolarHBondContact O-N 2.78Å; G136-R150 WeakPolarHBondContact CA-O 3.48Å; R150-T152 PolarHBondContact O-N 2.92Å | ||
| 151 | P | 95.1 | Very high | 95.9 | Very high | 45 Ų | 45 | 41.7 Ų | 41.7 | 29% | 0.292 | 25% | 0.248 | S | C | . | . | trans | -61 | 140 | -177 | 27.7 | -35.5 | 0 | 0 | 0 | 111.1 | L149 A156 A157 A160 | L149-P151 VanDerWaalsContact C-CD 3.5Å; P151-A156 VanDerWaalsContact CB-C 3.46Å; P151-A156 HydrophobicContact CB-CB 3.62Å; P151-A157 HydrophobicContact CB-CB 4.23Å; P151-A157 HydrophobicContact CG-CB 4.13Å; P151-A160 HydrophobicContact CG-CB 4.04Å | ||
| 152 | T | 92.7 | Very high | 96.4 | Very high | 36 Ų | 36 | 35.2 Ų | 35.2 | 22% | 0.221 | 22% | 0.217 | C | C | . | . | trans | -108.9 | -6.2 | -172.2 | 47.5 | 0 | 0 | 0 | 0 | 113 | R150 D287 | R150-T152 PolarHBondContact O-N 2.92Å; T152-D287 PolarHBondContact OG1-OD1 3.17Å; T152-D287 PolarHBondContact OG1-OD2 2.54Å | ||
| 153 | N | 92.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -139.9 | 157.4 | -179.6 | 70.1 | 71.3 | 0 | 0 | 0 | 111.5 | V91 F95 E133 Y155 A156 A157 | V91-N153 HydrophobicContact CG1-CB 4.12Å; F95-N153 HydrophobicContact CE2-CB 3.95Å; F95-N153 HydrophobicContact CZ-CB 3.72Å; E133-N153 PolarHBondContact OE2-ND2 3.27Å; N153-Y155 VanDerWaalsContact C-N 3.3Å; N153-Y155 PolarHBondContact O-N 3.42Å; N153-Y155 WeakPolarHBondContact OD1-CA 3.35Å; N153-Y155 VanDerWaalsContact OD1-CB 3.29Å; N153-Y155 WeakPolarHBondContact OD1-CB 3.17Å; N153-Y155 PolarHBondContact OD1-N 3.06Å; N153-Y155 VanDerWaalsContact OD1-N 3.15Å; N153-A156 PolarHBondContact O-N 2.98Å; N153-A156 PolarHBondContact OD1-N 3.34Å; N153-A157 WeakPolarHBondContact O-CB 3.47Å; N153-A157 PolarHBondContact O-N 2.78Å |
| 154 | P | 94.8 | Very high | 96.8 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -33.6 | -176.1 | -25.6 | 34.4 | 0 | 0 | 0 | 114.4 | S94 F95 P98 A157 T158 | S94-P154 WeakPolarHBondContact O-CB 3.47Å; F95-P154 HydrophobicContact CD1-CG 3.87Å; F95-P154 VanDerWaalsContact CE1-CD 3.43Å; F95-P154 HydrophobicContact CE1-CG 4.04Å; F95-P154 HydrophobicContact CG-CG 4.29Å; P98-P154 HydrophobicContact CB-CB 4.36Å; P154-A157 PolarHBondContact O-N 3.33Å; P154-T158 WeakPolarHBondContact O-CG2 3.36Å; P154-T158 PolarHBondContact O-N 2.9Å; P154-T158 PolarHBondContact O-OG1 3.34Å; P154-T158 VanDerWaalsContact O-OG1 3.13Å |
| 155 | Y | 95.4 | Very high | 96.9 | Very high | 19 Ų | 19 | 39 Ų | 39 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -55.6 | 173 | 159.1 | -113.5 | 0 | 0 | 0 | 111.4 | K88 T89 V91 S94 F101 T131 N153 A157 T158 K159 | K88-Y155 WeakPolarHBondContact O-CD2 3.31Å; K88-Y155 VanDerWaalsContact O-CE2 3.27Å; K88-Y155 WeakPolarHBondContact O-CE2 3.42Å; T89-Y155 HydrophobicContact CG2-CE2 3.87Å; V91-Y155 HydrophobicContact CG2-CD1 3.94Å; S94-Y155 PolarHBondContact OG-N 3.38Å; F101-Y155 HydrophobicContact CD1-CD2 4.07Å; F101-Y155 HydrophobicContact CD1-CG 4.46Å; F101-Y155 HydrophobicContact CE1-CD2 4.05Å; F101-Y155 HydrophobicContact CE1-CG 4.29Å; T131-Y155 HydrophobicContact CG2-CE1 4.03Å; N153-Y155 VanDerWaalsContact C-N 3.3Å; N153-Y155 PolarHBondContact O-N 3.42Å; N153-Y155 WeakPolarHBondContact OD1-CA 3.35Å; N153-Y155 VanDerWaalsContact OD1-CB 3.29Å; N153-Y155 WeakPolarHBondContact OD1-CB 3.17Å; N153-Y155 PolarHBondContact OD1-N 3.06Å; N153-Y155 VanDerWaalsContact OD1-N 3.15Å; Y155-A157 VanDerWaalsContact C-N 3.26Å; Y155-A157 PolarHBondContact O-N 3.49Å; Y155-T158 PolarHBondContact O-N 3.5Å; Y155-T158 PolarHBondContact O-OG1 3.47Å; Y155-K159 HydrophobicContact CD2-CG 4.01Å; Y155-K159 HydrophobicContact CE2-CD 3.98Å; Y155-K159 HydrophobicContact CE2-CG 3.48Å; Y155-K159 VanDerWaalsContact CE2-CG 3.48Å; Y155-K159 PolarHBondContact O-N 2.89Å |
| 156 | A | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -36.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E133 P151 N153 K159 A160 | E133-A156 HydrophobicContact CB-CB 3.78Å; P151-A156 VanDerWaalsContact CB-C 3.46Å; P151-A156 HydrophobicContact CB-CB 3.62Å; N153-A156 PolarHBondContact O-N 2.98Å; N153-A156 PolarHBondContact OD1-N 3.34Å; A156-K159 PolarHBondContact O-N 2.69Å; A156-A160 WeakPolarHBondContact O-CB 3.4Å; A156-A160 PolarHBondContact O-N 3.06Å |
| 157 | A | 97.7 | Very high | 97 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 35% | 0.347 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P151 N153 P154 Y155 A160 A161 | P151-A157 HydrophobicContact CB-CB 4.23Å; P151-A157 HydrophobicContact CG-CB 4.13Å; N153-A157 WeakPolarHBondContact O-CB 3.47Å; N153-A157 PolarHBondContact O-N 2.78Å; P154-A157 PolarHBondContact O-N 3.33Å; Y155-A157 VanDerWaalsContact C-N 3.26Å; Y155-A157 PolarHBondContact O-N 3.49Å; A157-A160 PolarHBondContact O-N 3.09Å; A157-A161 WeakPolarHBondContact O-CB 3.43Å; A157-A161 PolarHBondContact O-N 2.91Å |
| 158 | T | 98.6 | Very high | 97 | Very high | 15 Ų | 15 | 39 Ų | 39 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.4 | -33.6 | 176.9 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | F101 Q102 N105 V106 P154 Y155 A161 A162 | F101-T158 HydrophobicContact CB-CG2 4.1Å; Q102-T158 HydrophobicContact CB-CG2 4.3Å; N105-T158 PolarHBondContact ND2-OG1 3.38Å; V106-T158 HydrophobicContact CG2-CG2 4.26Å; V106-T158 WeakPolarHBondContact CG2-O 3.02Å; P154-T158 WeakPolarHBondContact O-CG2 3.36Å; P154-T158 PolarHBondContact O-N 2.9Å; P154-T158 PolarHBondContact O-OG1 3.34Å; P154-T158 VanDerWaalsContact O-OG1 3.13Å; Y155-T158 PolarHBondContact O-N 3.5Å; Y155-T158 PolarHBondContact O-OG1 3.47Å; T158-A161 PolarHBondContact O-N 3.17Å; T158-A162 WeakPolarHBondContact O-CB 3.48Å; T158-A162 PolarHBondContact O-N 3.32Å |
| 159 | K | 98.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | 171.2 | -69.2 | -64.5 | -65.8 | 173.7 | 0 | 112.2 | A87 Y128 V129 T131 V134 Y155 A156 A162 E163 | A87-K159 HydrophobicContact CB-CD 4.48Å; Y128-K159 VanDerWaalsContact CZ-NZ 3.29Å; Y128-K159 WeakPolarHBondContact OH-CE 3.43Å; Y128-K159 PolarHBondContact OH-NZ 3.32Å; V129-K159 PolarHBondContact O-NZ 3.26Å; T131-K159 HydrophobicContact CG2-CB 4.25Å; T131-K159 HydrophobicContact CG2-CG 4.23Å; V134-K159 HydrophobicContact CG1-CB 3.97Å; Y155-K159 HydrophobicContact CD2-CG 4.01Å; Y155-K159 HydrophobicContact CE2-CD 3.98Å; Y155-K159 HydrophobicContact CE2-CG 3.48Å; Y155-K159 VanDerWaalsContact CE2-CG 3.48Å; Y155-K159 PolarHBondContact O-N 2.89Å; A156-K159 PolarHBondContact O-N 2.69Å; K159-A162 PolarHBondContact O-N 3.16Å; K159-E163 WeakPolarHBondContact O-CG 3.2Å; K159-E163 PolarHBondContact O-N 2.88Å |
| 160 | A | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V134 L149 P151 A156 A157 A162 E163 Y164 | V134-A160 HydrophobicContact CB-CB 4.24Å; V134-A160 HydrophobicContact CG1-CB 4.18Å; L149-A160 HydrophobicContact CB-CB 4.46Å; L149-A160 HydrophobicContact CD1-CB 4.14Å; P151-A160 HydrophobicContact CG-CB 4.04Å; A156-A160 WeakPolarHBondContact O-CB 3.4Å; A156-A160 PolarHBondContact O-N 3.06Å; A157-A160 PolarHBondContact O-N 3.09Å; A160-A162 VanDerWaalsContact C-N 3.34Å; A160-A162 PolarHBondContact O-N 3.25Å; A160-E163 WeakPolarHBondContact O-CB 3.1Å; A160-E163 PolarHBondContact O-N 3.01Å; A160-Y164 WeakPolarHBondContact O-CD2 3.32Å; A160-Y164 PolarHBondContact O-N 3.03Å; A160-Y164 VanDerWaalsContact O-N 3.07Å |
| 161 | A | 98.6 | Very high | 97.3 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V106 A157 T158 Y164 L165 | V106-A161 HydrophobicContact CG2-CB 4.01Å; A157-A161 WeakPolarHBondContact O-CB 3.43Å; A157-A161 PolarHBondContact O-N 2.91Å; T158-A161 PolarHBondContact O-N 3.17Å; A161-Y164 PolarHBondContact O-N 3.22Å; A161-L165 PolarHBondContact O-N 2.9Å; A161-L165 VanDerWaalsContact O-N 3.12Å |
| 162 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N105 T109 Y128 T158 K159 A160 Y164 L165 V166 | N105-A162 WeakPolarHBondContact O-CB 3.18Å; T109-A162 HydrophobicContact CG2-CB 4.25Å; Y128-A162 HydrophobicContact CE2-CB 4.29Å; Y128-A162 WeakPolarHBondContact OH-CB 3.5Å; T158-A162 WeakPolarHBondContact O-CB 3.48Å; T158-A162 PolarHBondContact O-N 3.32Å; K159-A162 PolarHBondContact O-N 3.16Å; A160-A162 VanDerWaalsContact C-N 3.34Å; A160-A162 PolarHBondContact O-N 3.25Å; A162-Y164 VanDerWaalsContact C-N 3.35Å; A162-Y164 PolarHBondContact O-N 3.19Å; A162-L165 WeakPolarHBondContact O-CB 3.45Å; A162-L165 PolarHBondContact O-N 2.87Å; A162-V166 VanDerWaalsContact O-CG2 3.3Å; A162-V166 WeakPolarHBondContact O-CG2 3.44Å; A162-V166 PolarHBondContact O-N 2.78Å |
| 163 | E | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 172 | -73.2 | -170.9 | -158 | 0 | 0 | 112.6 | Y128 S130 K159 A160 L165 V166 R167 I179 R181 | Y128-E163 HydrophobicContact CD1-CG 3.94Å; Y128-E163 HydrophobicContact CE1-CG 3.62Å; S130-E163 WeakPolarHBondContact CB-OE1 3.38Å; S130-E163 PolarHBondContact OG-OE1 3.1Å; K159-E163 WeakPolarHBondContact O-CG 3.2Å; K159-E163 PolarHBondContact O-N 2.88Å; A160-E163 WeakPolarHBondContact O-CB 3.1Å; A160-E163 PolarHBondContact O-N 3.01Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.9Å; E163-V166 PolarHBondContact O-N 3.5Å; E163-R167 WeakPolarHBondContact O-CB 3.34Å; E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 3.38Å; E163-I179 HydrophobicContact CB-CD1 4.36Å; E163-I179 HydrophobicContact CG-CD1 4.42Å; E163-I179 HydrophobicContact CG-CG2 4.13Å; E163-R181 IonicContact OE1-NE 2.63Å; E163-R181 PolarHBondContact OE1-NE 3.42Å; E163-R181 IonicContact OE2-CZ 3.42Å; E163-R181 IonicContact OE2-NE 3.2Å; E163-R181 PolarHBondContact OE2-NE 2.9Å; E163-R181 IonicContact OE2-NH2 3.96Å; E163-R181 PolarHBondContact OE2-NH2 3.32Å |
| 164 | Y | 98.6 | Very high | 97.9 | Very high | 131 Ų | 131 | 50.8 Ų | 50.8 | 51% | 0.514 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 175.6 | -73.3 | -59.6 | 0 | 0 | 0 | 112.1 | L149 A160 A161 A162 S168 | L149-Y164 HydrophobicContact CD1-CE2 4.09Å; A160-Y164 WeakPolarHBondContact O-CD2 3.32Å; A160-Y164 PolarHBondContact O-N 3.03Å; A160-Y164 VanDerWaalsContact O-N 3.07Å; A161-Y164 PolarHBondContact O-N 3.22Å; A162-Y164 VanDerWaalsContact C-N 3.35Å; A162-Y164 PolarHBondContact O-N 3.19Å; Y164-S168 WeakPolarHBondContact O-CB 3.46Å; Y164-S168 PolarHBondContact O-N 2.87Å |
| 165 | L | 98.3 | Very high | 98 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 172.4 | -68.3 | 177.5 | 0 | 0 | 0 | 111.4 | V106 R110 L113 A161 A162 E163 R167 S168 Y169 | V106-L165 HydrophobicContact CG1-CD1 3.53Å; R110-L165 HydrophobicContact CB-CD1 4.27Å; L113-L165 HydrophobicContact CD1-CB 4.38Å; A161-L165 PolarHBondContact O-N 2.9Å; A161-L165 VanDerWaalsContact O-N 3.12Å; A162-L165 WeakPolarHBondContact O-CB 3.45Å; A162-L165 PolarHBondContact O-N 2.87Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.9Å; L165-R167 PolarHBondContact O-N 2.95Å; L165-S168 PolarHBondContact O-N 2.87Å; L165-S168 PolarHBondContact O-OG 2.87Å; L165-Y169 WeakPolarHBondContact O-CD2 3.4Å; L165-Y169 PolarHBondContact O-N 3.13Å |
| 166 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 177.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | T109 L113 F126 Y128 A162 E163 S168 Y169 I177 I179 | T109-V166 HydrophobicContact CG2-CG2 3.7Å; L113-V166 HydrophobicContact CD1-CB 4.33Å; L113-V166 HydrophobicContact CD1-CG2 3.77Å; L113-V166 HydrophobicContact CD2-CG2 4.35Å; L113-V166 HydrophobicContact CG-CG2 4.44Å; F126-V166 HydrophobicContact CD1-CG1 4.39Å; F126-V166 HydrophobicContact CE1-CG1 4.41Å; F126-V166 HydrophobicContact CE1-CG2 4.13Å; Y128-V166 HydrophobicContact CD1-CG2 4.47Å; Y128-V166 HydrophobicContact CD2-CG2 3.88Å; Y128-V166 HydrophobicContact CE2-CG2 4.38Å; Y128-V166 HydrophobicContact CG-CG2 3.92Å; A162-V166 VanDerWaalsContact O-CG2 3.3Å; A162-V166 WeakPolarHBondContact O-CG2 3.44Å; A162-V166 PolarHBondContact O-N 2.78Å; E163-V166 PolarHBondContact O-N 3.5Å; V166-S168 VanDerWaalsContact C-N 3.32Å; V166-S168 PolarHBondContact O-N 3.22Å; V166-Y169 PolarHBondContact O-N 3.5Å; V166-I177 HydrophobicContact CG1-CB 3.66Å; V166-I177 HydrophobicContact CG1-CD1 4.27Å; V166-I177 HydrophobicContact CG1-CG1 4.12Å; V166-I177 HydrophobicContact CG1-CG2 3.6Å; V166-I179 HydrophobicContact CB-CD1 4.45Å; V166-I179 HydrophobicContact CG1-CD1 4.12Å; V166-I179 HydrophobicContact CG1-CG1 4.03Å |
| 167 | R | 98.3 | Very high | 98.3 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 28% | 0.275 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -38 | 178 | -73.9 | -177.4 | 176.1 | -164.3 | -2.7 | 112.5 | E163 L165 Y169 W170 D171 I179 | E163-R167 WeakPolarHBondContact O-CB 3.34Å; E163-R167 WeakPolarHBondContact O-CG 3.35Å; E163-R167 PolarHBondContact O-N 3.38Å; L165-R167 PolarHBondContact O-N 2.95Å; R167-Y169 PolarHBondContact O-N 3.41Å; R167-Y169 VanDerWaalsContact O-N 3.15Å; R167-W170 WeakPolarHBondContact O-CA 3.24Å; R167-W170 WeakPolarHBondContact O-CB 3.33Å; R167-W170 PolarHBondContact O-N 2.86Å; R167-D171 PolarHBondContact O-N 2.85Å; R167-I179 HydrophobicContact CG-CD1 3.65Å |
| 168 | S | 98.4 | Very high | 98.3 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.8 | -29.4 | 179.1 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | Y164 L165 V166 K172 | Y164-S168 WeakPolarHBondContact O-CB 3.46Å; Y164-S168 PolarHBondContact O-N 2.87Å; L165-S168 PolarHBondContact O-N 2.87Å; L165-S168 PolarHBondContact O-OG 2.87Å; V166-S168 VanDerWaalsContact C-N 3.32Å; V166-S168 PolarHBondContact O-N 3.22Å; S168-K172 WeakPolarHBondContact O-CB 3.38Å; S168-K172 PolarHBondContact O-N 3.03Å |
| 169 | Y | 98.4 | Very high | 98.4 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 12% | 0.118 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.9 | -32.2 | 175.7 | -85.8 | -111.4 | 0 | 0 | 0 | 112.5 | L113 H117 L165 V166 R167 Y173 Q174 F175 | L113-Y169 HydrophobicContact CB-CD2 4.5Å; L113-Y169 HydrophobicContact CB-CE1 4.24Å; L113-Y169 HydrophobicContact CB-CE2 4.19Å; L113-Y169 HydrophobicContact CD1-CD2 4.21Å; L113-Y169 HydrophobicContact CD1-CE2 4.33Å; H117-Y169 HydrophobicContact CB-CD1 3.92Å; H117-Y169 HydrophobicContact CB-CE1 3.68Å; H117-Y169 AromaticContact CG-CE1 3.91Å; L165-Y169 WeakPolarHBondContact O-CD2 3.4Å; L165-Y169 PolarHBondContact O-N 3.13Å; V166-Y169 PolarHBondContact O-N 3.5Å; R167-Y169 PolarHBondContact O-N 3.41Å; R167-Y169 VanDerWaalsContact O-N 3.15Å; Y169-Y173 AromaticContact CD1-CD2 3.91Å; Y169-Y173 HydrophobicContact CD1-CD2 3.91Å; Y169-Y173 HydrophobicContact CD1-CE2 4.2Å; Y169-Y173 HydrophobicContact CE1-CD2 4.47Å; Y169-Y173 HydrophobicContact CE1-CE2 4.36Å; Y169-Y173 HydrophobicContact CG-CD2 4.21Å; Y169-Y173 HydrophobicContact CG-CE2 4.49Å; Y169-Y173 WeakPolarHBondContact O-CA 3.46Å; Y169-Y173 WeakPolarHBondContact O-CB 3.4Å; Y169-Y173 PolarHBondContact O-N 3.37Å; Y169-Q174 PolarHBondContact O-N 3.44Å; Y169-F175 PolarHBondContact O-N 3.11Å |
| 170 | W | 98.2 | Very high | 98.4 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 25% | 0.25 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.4 | -53 | 168.6 | 171.6 | -105.8 | 0 | 0 | 0 | 110.9 | R167 K172 Y173 Q174 I177 V240 | R167-W170 WeakPolarHBondContact O-CA 3.24Å; R167-W170 WeakPolarHBondContact O-CB 3.33Å; R167-W170 PolarHBondContact O-N 2.86Å; W170-K172 VanDerWaalsContact C-N 3.25Å; W170-K172 PolarHBondContact O-N 3.35Å; W170-Y173 PolarHBondContact O-N 2.78Å; W170-Q174 HydrophobicContact CE3-CB 4.26Å; W170-Q174 HydrophobicContact CZ3-CB 4.04Å; W170-Q174 WeakPolarHBondContact O-CA 3.31Å; W170-Q174 PolarHBondContact O-N 2.93Å; W170-Q174 PolarHBondContact O-NE2 2.91Å; W170-I177 HydrophobicContact CB-CD1 4.29Å; W170-I177 HydrophobicContact CB-CG1 3.64Å; W170-I177 HydrophobicContact CG-CG1 4.35Å; W170-V240 HydrophobicContact CE3-CG1 3.94Å; W170-V240 HydrophobicContact CH2-CG1 4.05Å; W170-V240 HydrophobicContact CZ3-CB 4.38Å; W170-V240 HydrophobicContact CZ3-CG1 3.43Å; W170-V240 VanDerWaalsContact CZ3-CG1 3.43Å |
| 171 | D | 97.7 | Very high | 98.4 | Very high | 119 Ų | 119 | 46.3 Ų | 46.3 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.8 | -38.7 | -175.8 | -63 | -23 | 0 | 0 | 0 | 112.2 | R167 | R167-D171 PolarHBondContact O-N 2.85Å |
| 172 | K | 97.6 | Very high | 98.3 | Very high | 155 Ų | 155 | 44.6 Ų | 44.6 | 67% | 0.674 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -87 | -42.4 | -177.7 | -174.9 | 73.4 | 179.1 | -173.5 | 0 | 113.8 | S168 W170 | S168-K172 WeakPolarHBondContact O-CB 3.38Å; S168-K172 PolarHBondContact O-N 3.03Å; W170-K172 VanDerWaalsContact C-N 3.25Å; W170-K172 PolarHBondContact O-N 3.35Å |
| 173 | Y | 97.4 | Very high | 98.1 | Very high | 119 Ų | 119 | 44.9 Ų | 44.9 | 47% | 0.467 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -122.1 | -3 | -166.6 | -50.3 | -67.4 | 0 | 0 | 0 | 114.1 | H117 Y169 W170 F175 | H117-Y173 AromaticContact CE1-CD1 3.87Å; H117-Y173 AromaticContact CE1-CD2 3.94Å; H117-Y173 AromaticContact CE1-CG 3.56Å; H117-Y173 AromaticContact NE2-CD1 3.81Å; H117-Y173 AromaticContact NE2-CD2 3.89Å; H117-Y173 AromaticContact NE2-CG 3.76Å; Y169-Y173 AromaticContact CD1-CD2 3.91Å; Y169-Y173 HydrophobicContact CD1-CD2 3.91Å; Y169-Y173 HydrophobicContact CD1-CE2 4.2Å; Y169-Y173 HydrophobicContact CE1-CD2 4.47Å; Y169-Y173 HydrophobicContact CE1-CE2 4.36Å; Y169-Y173 HydrophobicContact CG-CD2 4.21Å; Y169-Y173 HydrophobicContact CG-CE2 4.49Å; Y169-Y173 WeakPolarHBondContact O-CA 3.46Å; Y169-Y173 WeakPolarHBondContact O-CB 3.4Å; Y169-Y173 PolarHBondContact O-N 3.37Å; W170-Y173 PolarHBondContact O-N 2.78Å; Y173-F175 PolarHBondContact O-N 3.33Å |
| 174 | Q | 97.6 | Very high | 97.9 | Very high | 113 Ų | 113 | 46.8 Ų | 46.8 | 53% | 0.528 | 22% | 0.215 | S | C | . | . | trans | 53.4 | 29.6 | -169.4 | -56.2 | -69.1 | -77.9 | 0 | 0 | 112.3 | Y169 W170 | Y169-Q174 PolarHBondContact O-N 3.44Å; W170-Q174 HydrophobicContact CE3-CB 4.26Å; W170-Q174 HydrophobicContact CZ3-CB 4.04Å; W170-Q174 WeakPolarHBondContact O-CA 3.31Å; W170-Q174 PolarHBondContact O-N 2.93Å; W170-Q174 PolarHBondContact O-NE2 2.91Å | ||
| 175 | F | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | trans | -61.6 | 134.1 | 177 | -176.1 | -109.4 | 0 | 0 | 0 | 109.5 | L113 A116 H117 F126 Y169 Y173 I177 | L113-F175 HydrophobicContact CD2-CD1 4.27Å; L113-F175 HydrophobicContact CD2-CE1 4.01Å; A116-F175 HydrophobicContact CB-CE2 4.42Å; A116-F175 HydrophobicContact CB-CZ 3.73Å; H117-F175 HydrophobicContact CB-CD2 4.23Å; H117-F175 HydrophobicContact CB-CE2 4.3Å; F126-F175 HydrophobicContact CB-CE1 3.69Å; F126-F175 HydrophobicContact CB-CZ 4.27Å; F126-F175 AromaticContact CD2-CE1 3.84Å; F126-F175 HydrophobicContact CD2-CE1 3.84Å; F126-F175 HydrophobicContact CD2-CZ 4.27Å; F126-F175 AromaticContact CG-CE1 3.88Å; F126-F175 HydrophobicContact CG-CE1 3.88Å; Y169-F175 PolarHBondContact O-N 3.11Å; Y173-F175 PolarHBondContact O-N 3.33Å; F175-I177 VanDerWaalsContact C-N 3.27Å; F175-I177 HydrophobicContact CD1-CG2 3.63Å; F175-I177 HydrophobicContact CE1-CG2 4.22Å; F175-I177 PolarHBondContact O-N 3Å | ||
| 176 | P | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | trans | -82.8 | 69.6 | -157.6 | 32.5 | -36.9 | 0 | 0 | 0 | 113.9 | P123 Q124 R125 F126 V240 | P123-P176 WeakPolarHBondContact O-CG 3.36Å; Q124-P176 VanDerWaalsContact C-CG 3.47Å; Q124-P176 VanDerWaalsContact O-CB 3.24Å; Q124-P176 WeakPolarHBondContact O-CB 3.45Å; Q124-P176 WeakPolarHBondContact O-CG 3.46Å; R125-P176 CarbonylContact C-O 3.5Å; R125-P176 WeakPolarHBondContact CA-O 3.22Å; F126-P176 PolarHBondContact N-O 3.43Å; P176-V240 HydrophobicContact CB-CG1 3.57Å; P176-V240 HydrophobicContact CB-CG2 4.25Å | ||
| 177 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 152 | -179.4 | 66.5 | 90.7 | 0 | 0 | 0 | 111.6 | F126 V166 W170 F175 I179 G241 | F126-I177 HydrophobicContact CB-CG2 4.28Å; F126-I177 HydrophobicContact CD1-CG2 4.27Å; F126-I177 CarbonylContact O-C 3.46Å; F126-I177 VanDerWaalsContact O-CA 3.31Å; F126-I177 WeakPolarHBondContact O-CA 3.35Å; V166-I177 HydrophobicContact CG1-CB 3.66Å; V166-I177 HydrophobicContact CG1-CD1 4.27Å; V166-I177 HydrophobicContact CG1-CG1 4.12Å; V166-I177 HydrophobicContact CG1-CG2 3.6Å; W170-I177 HydrophobicContact CB-CD1 4.29Å; W170-I177 HydrophobicContact CB-CG1 3.64Å; W170-I177 HydrophobicContact CG-CG1 4.35Å; F175-I177 VanDerWaalsContact C-N 3.27Å; F175-I177 HydrophobicContact CD1-CG2 3.63Å; F175-I177 HydrophobicContact CE1-CG2 4.22Å; F175-I177 PolarHBondContact O-N 3Å; I177-I179 HydrophobicContact CD1-CD1 4.3Å; I177-I179 HydrophobicContact CD1-CG1 4.33Å; I177-G241 PolarHBondContact O-N 3.15Å |
| 178 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 135 | 161.7 | -55 | 175.3 | 0 | 0 | 0 | 106.9 | F126 V127 Y128 V234 Y244 | F126-I178 PolarHBondContact O-N 2.96Å; V127-I178 CarbonylContact C-O 3.55Å; V127-I178 WeakPolarHBondContact CA-O 3.46Å; Y128-I178 PolarHBondContact N-O 3.06Å; I178-V234 HydrophobicContact CB-CG1 4.25Å; I178-V234 HydrophobicContact CD1-CG1 4.13Å; I178-V234 HydrophobicContact CG2-CG1 3.31Å; I178-Y244 HydrophobicContact CG2-CD2 3.72Å; I178-Y244 HydrophobicContact CG2-CE2 3.91Å |
| 179 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133 | 177.8 | -63.3 | 162.5 | 0 | 0 | 0 | 109.2 | Y128 E163 V166 R167 I177 R181 D242 V243 Y244 | Y128-I179 HydrophobicContact CD1-CG1 4.35Å; Y128-I179 HydrophobicContact CD1-CG2 4.17Å; Y128-I179 WeakPolarHBondContact O-CA 3.24Å; E163-I179 HydrophobicContact CB-CD1 4.36Å; E163-I179 HydrophobicContact CG-CD1 4.42Å; E163-I179 HydrophobicContact CG-CG2 4.13Å; V166-I179 HydrophobicContact CB-CD1 4.45Å; V166-I179 HydrophobicContact CG1-CD1 4.12Å; V166-I179 HydrophobicContact CG1-CG1 4.03Å; R167-I179 HydrophobicContact CG-CD1 3.65Å; I177-I179 HydrophobicContact CD1-CD1 4.3Å; I177-I179 HydrophobicContact CD1-CG1 4.33Å; I179-R181 HydrophobicContact CG2-CG 4.36Å; I179-D242 PolarHBondContact N-O 3.08Å; I179-V243 HydrophobicContact CB-CB 4.36Å; I179-V243 HydrophobicContact CB-CG1 4.18Å; I179-V243 HydrophobicContact CB-CG2 3.82Å; I179-V243 HydrophobicContact CD1-CG2 4.09Å; I179-V243 HydrophobicContact CG1-CG2 4.47Å; I179-V243 HydrophobicContact CG2-CG1 4.05Å; I179-V243 HydrophobicContact CG2-CG2 4.35Å; I179-V243 CarbonylContact O-C 3.4Å; I179-V243 VanDerWaalsContact O-CA 3.25Å; I179-V243 WeakPolarHBondContact O-CA 3.42Å; I179-Y244 PolarHBondContact O-N 2.92Å |
| 180 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.9 | 169 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | V127 Y128 S130 F231 V234 Y244 V246 | V127-T180 HydrophobicContact CG1-CG2 4.22Å; Y128-T180 PolarHBondContact O-N 3.27Å; S130-T180 CarbonylContact C-O 3.51Å; S130-T180 WeakPolarHBondContact CA-O 3.45Å; S130-T180 WeakPolarHBondContact CB-O 3.31Å; S130-T180 PolarHBondContact N-O 2.83Å; T180-F231 HydrophobicContact CG2-CD1 4.06Å; T180-F231 HydrophobicContact CG2-CE1 4.31Å; T180-F231 WeakPolarHBondContact OG1-CE1 3.22Å; T180-V234 HydrophobicContact CG2-CG1 4.18Å; T180-Y244 CarbonylContact C-O 3.55Å; T180-Y244 VanDerWaalsContact CA-O 3.28Å; T180-Y244 WeakPolarHBondContact CA-O 3.35Å; T180-V246 HydrophobicContact CG2-CG2 4.26Å |
| 181 | R | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 108.5 | 175.4 | -69.4 | 170.3 | -175.5 | 158 | -0.6 | 108.3 | V134 Y135 E145 L149 E163 I179 V243 Y244 N245 V246 | V134-R181 HydrophobicContact CG2-CG 4.32Å; Y135-R181 HydrophobicContact CE2-CB 4.37Å; Y135-R181 VanDerWaalsContact CZ-CD 3.48Å; Y135-R181 VanDerWaalsContact CZ-NH1 3.26Å; Y135-R181 WeakPolarHBondContact OH-CD 3.25Å; Y135-R181 PolarHBondContact OH-NH1 3.19Å; E145-R181 PolarHBondContact O-NH1 2.94Å; L149-R181 VanDerWaalsContact CD2-NH2 3.31Å; E163-R181 IonicContact OE1-NE 2.63Å; E163-R181 PolarHBondContact OE1-NE 3.42Å; E163-R181 IonicContact OE2-CZ 3.42Å; E163-R181 IonicContact OE2-NE 3.2Å; E163-R181 PolarHBondContact OE2-NE 2.9Å; E163-R181 IonicContact OE2-NH2 3.96Å; E163-R181 PolarHBondContact OE2-NH2 3.32Å; I179-R181 HydrophobicContact CG2-CG 4.36Å; R181-V243 HydrophobicContact CG-CG1 4.27Å; R181-Y244 PolarHBondContact N-O 2.83Å; R181-N245 CarbonylContact O-C 3.54Å; R181-N245 WeakPolarHBondContact O-CA 3.12Å; R181-V246 PolarHBondContact O-N 3.34Å |
| 182 | S | 97.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.028 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 150.8 | -171.7 | -49.7 | 0 | 0 | 0 | 0 | 112.7 | S130 D132 V246 | S130-S182 PolarHBondContact O-N 3.3Å; D132-S182 PolarHBondContact N-O 2.94Å; S182-V246 WeakPolarHBondContact CA-O 3.47Å |
| 183 | N | 94.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 21.1 Ų | 21.1 | 3% | 0.032 | 10% | 0.1 | C | C | . | . | trans | -63.6 | -176.3 | 163.1 | -73.9 | 146.9 | 0 | 0 | 0 | 112.4 | D132 I185 H220 L222 V246 G247 T248 I292 | D132-N183 WeakPolarHBondContact OD2-CA 3.49Å; D132-N183 PolarHBondContact OD2-ND2 3.22Å; N183-I185 PolarHBondContact O-N 3.08Å; N183-H220 HydrophobicContact CB-CB 4.04Å; N183-H220 VanDerWaalsContact CG-CB 3.45Å; N183-H220 WeakPolarHBondContact OD1-CB 3.24Å; N183-L222 HydrophobicContact CB-CB 4.41Å; N183-V246 PolarHBondContact N-O 2.9Å; N183-G247 WeakPolarHBondContact OD1-CA 3.11Å; N183-T248 PolarHBondContact OD1-N 3.36Å; N183-T248 VanDerWaalsContact OD1-N 3.09Å; N183-T248 PolarHBondContact OD1-O 3.32Å; N183-I292 WeakPolarHBondContact ND2-CD1 3.49Å; N183-I292 WeakPolarHBondContact ND2-CG1 3.15Å | ||
| 184 | N | 94.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 18.2 Ų | 18.2 | 21% | 0.214 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 98.9 | 173.5 | -66.6 | 46 | 0 | 0 | 0 | 110.8 | H220 F221 L222 | N184-H220 WeakPolarHBondContact CB-O 3.5Å; N184-H220 PolarHBondContact N-O 3.23Å; N184-F221 HydrophobicContact CB-CD1 4.09Å; N184-F221 HydrophobicContact CB-CE1 4.23Å; N184-F221 WeakPolarHBondContact O-CA 3.15Å; N184-L222 PolarHBondContact O-N 3.06Å |
| 185 | I | 97.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 14.5 Ų | 14.5 | 7% | 0.072 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 135.2 | 174.9 | -62.4 | 163.6 | 0 | 0 | 0 | 109.5 | F15 I16 N183 Q190 L222 V224 A227 F231 | F15-I185 HydrophobicContact CE1-CB 4.41Å; F15-I185 HydrophobicContact CE1-CG2 3.88Å; F15-I185 HydrophobicContact CZ-CG2 3.99Å; I16-I185 HydrophobicContact CD1-CB 4.14Å; I16-I185 HydrophobicContact CD1-CD1 3.55Å; I16-I185 HydrophobicContact CD1-CG1 4.41Å; I16-I185 HydrophobicContact CD1-CG2 4.43Å; I16-I185 HydrophobicContact CG1-CB 4.3Å; I16-I185 HydrophobicContact CG1-CD1 4.11Å; I16-I185 HydrophobicContact CG1-CG2 4.05Å; I16-I185 HydrophobicContact CG2-CD1 4.46Å; N183-I185 PolarHBondContact O-N 3.08Å; I185-Q190 PolarHBondContact O-NE2 3.48Å; I185-L222 CarbonylContact C-O 3.55Å; I185-L222 VanDerWaalsContact CA-O 3.22Å; I185-L222 WeakPolarHBondContact CA-O 3.09Å; I185-L222 HydrophobicContact CG1-CB 4.39Å; I185-L222 HydrophobicContact CG1-CD2 4.12Å; I185-L222 HydrophobicContact CG1-CG 4.45Å; I185-V224 HydrophobicContact CG2-CB 3.74Å; I185-V224 HydrophobicContact CG2-CG2 3.89Å; I185-A227 HydrophobicContact CD1-CB 3.6Å; I185-A227 HydrophobicContact CG1-CB 3.87Å; I185-A227 HydrophobicContact CG2-CB 4.25Å; I185-F231 HydrophobicContact CD1-CZ 4.34Å |
| 186 | Y | 98.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 158.6 | 177.6 | 79.3 | -77.1 | 0 | 0 | 0 | 112.3 | I196 F221 L222 F223 V224 W308 I312 | Y186-I196 HydrophobicContact CD2-CD1 3.7Å; Y186-I196 HydrophobicContact CG-CD1 3.72Å; Y186-F221 HydrophobicContact CD1-CB 3.78Å; Y186-F221 AromaticContact CD1-CD1 3.95Å; Y186-F221 HydrophobicContact CD1-CD1 3.95Å; Y186-F221 HydrophobicContact CD1-CG 4.31Å; Y186-F221 HydrophobicContact CE1-CB 3.77Å; Y186-F221 HydrophobicContact CG-CD1 4.27Å; Y186-L222 WeakPolarHBondContact CD1-O 3.25Å; Y186-L222 PolarHBondContact N-O 3.1Å; Y186-F223 HydrophobicContact CD2-CD2 4.27Å; Y186-F223 HydrophobicContact CE1-CB 4.09Å; Y186-F223 HydrophobicContact CE1-CD2 4.35Å; Y186-F223 AromaticContact CE2-CD2 3.86Å; Y186-F223 HydrophobicContact CE2-CD2 3.86Å; Y186-F223 AromaticContact CZ-CD2 3.91Å; Y186-F223 WeakPolarHBondContact O-CD2 3.27Å; Y186-V224 WeakPolarHBondContact O-CB 3.49Å; Y186-V224 PolarHBondContact O-N 2.99Å; Y186-W308 HydrophobicContact CD1-CZ3 4.31Å; Y186-W308 HydrophobicContact CE1-CE3 4.01Å; Y186-W308 AromaticContact CE1-CZ3 3.81Å; Y186-W308 HydrophobicContact CE1-CZ3 3.81Å; Y186-W308 HydrophobicContact CE2-CE3 4.44Å; Y186-W308 HydrophobicContact CE2-CZ3 4.02Å; Y186-W308 AromaticContact CZ-CE3 3.72Å; Y186-W308 AromaticContact CZ-CZ3 3.63Å; Y186-W308 PolarHBondContact OH-O 3.2Å; Y186-I312 HydrophobicContact CD2-CD1 4.39Å; Y186-I312 HydrophobicContact CE2-CB 4.39Å; Y186-I312 HydrophobicContact CE2-CD1 4.17Å |
| 187 | G | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | 154.1 | -172.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q190 T315 | G187-Q190 WeakPolarHBondContact O-CB 3.44Å; G187-Q190 PolarHBondContact O-N 3.32Å; G187-T315 WeakPolarHBondContact CA-OG1 3.35Å | ||
| 188 | P | 97.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 16.2 Ų | 16.2 | 12% | 0.117 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 147.3 | 169.5 | -31.4 | 38.8 | 0 | 0 | 0 | 113.3 | F15 H19 Q190 W318 | F15-P188 WeakPolarHBondContact CD2-O 3.46Å; F15-P188 WeakPolarHBondContact CE2-O 3.48Å; H19-P188 PolarHBondContact NE2-O 3.02Å; P188-Q190 VanDerWaalsContact C-N 3.26Å; P188-Q190 PolarHBondContact O-N 3.07Å; P188-W318 HydrophobicContact CB-CB 4.08Å; P188-W318 HydrophobicContact CB-CD2 3.7Å; P188-W318 HydrophobicContact CB-CE3 4.37Å; P188-W318 HydrophobicContact CB-CG 3.52Å; P188-W318 HydrophobicContact CG-CB 3.95Å; P188-W318 HydrophobicContact CG-CG 3.92Å |
| 189 | R | 96.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 16.2 Ų | 16.2 | 13% | 0.128 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 18 | 179.1 | -50 | 177.8 | -77.9 | -170.1 | -8.4 | 115.2 | F15 H19 C22 S47 W318 F325 W326 | F15-R189 HydrophobicContact CD2-CB 4.44Å; F15-R189 WeakPolarHBondContact CD2-O 3.11Å; H19-R189 VanDerWaalsContact CA-NH2 3.26Å; H19-R189 PolarHBondContact CD2-NH2 3.15Å; H19-R189 VanDerWaalsContact CD2-NH2 3.27Å; H19-R189 PolarHBondContact CE1-NH2 3.15Å; H19-R189 PolarHBondContact ND1-NH2 3.16Å; H19-R189 PolarHBondContact NE2-NE 3.21Å; H19-R189 PolarHBondContact NE2-NH2 3.44Å; C22-R189 PolarHBondContact SG-NH1 3.27Å; S47-R189 PolarHBondContact O-NH1 3.29Å; R189-W318 HydrophobicContact CB-CH2 4.31Å; R189-W318 HydrophobicContact CB-CZ2 4.31Å; R189-W318 HydrophobicContact CG-CH2 3.98Å; R189-W318 HydrophobicContact CG-CZ2 3.51Å; R189-W318 VanDerWaalsContact N-CZ3 3.34Å; R189-F325 HydrophobicContact CG-CZ 4.09Å; R189-W326 WeakPolarHBondContact O-CZ2 3.4Å |
| 190 | Q | 96.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 16.3 Ų | 16.3 | 8% | 0.079 | 8% | 0.078 | C | C | . | . | trans | -77.2 | 136.8 | 171.2 | -167.7 | 173 | 45 | 0 | 0 | 110.8 | F15 I185 G187 P188 K194 P197 Y319 W326 | F15-Q190 HydrophobicContact CD1-CB 3.98Å; F15-Q190 HydrophobicContact CD1-CG 3.69Å; F15-Q190 HydrophobicContact CD2-CB 4Å; F15-Q190 HydrophobicContact CE1-CB 3.98Å; F15-Q190 HydrophobicContact CE1-CG 3.79Å; F15-Q190 HydrophobicContact CE2-CB 4.02Å; F15-Q190 HydrophobicContact CG-CB 3.99Å; F15-Q190 HydrophobicContact CG-CG 4.12Å; F15-Q190 HydrophobicContact CZ-CB 4.01Å; F15-Q190 HydrophobicContact CZ-CG 4.32Å; I185-Q190 PolarHBondContact O-NE2 3.48Å; G187-Q190 WeakPolarHBondContact O-CB 3.44Å; G187-Q190 PolarHBondContact O-N 3.32Å; P188-Q190 VanDerWaalsContact C-N 3.26Å; P188-Q190 PolarHBondContact O-N 3.07Å; Q190-K194 HydrophobicContact CG-CB 3.95Å; Q190-K194 HydrophobicContact CG-CG 3.9Å; Q190-P197 HydrophobicContact CB-CG 4.14Å; Q190-P197 HydrophobicContact CG-CG 4.02Å; Q190-Y319 VanDerWaalsContact C-OH 3.27Å; Q190-Y319 WeakPolarHBondContact CA-OH 3.45Å; Q190-Y319 WeakPolarHBondContact CB-OH 3.28Å; Q190-Y319 PolarHBondContact N-OH 2.86Å; Q190-Y319 PolarHBondContact O-OH 2.88Å; Q190-W326 PolarHBondContact O-NE1 3.15Å; Q190-W326 VanDerWaalsContact O-NE1 3.09Å | ||
| 191 | F | 95.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | trans | -68.4 | 146.1 | -178.9 | -171.8 | -114.7 | 0 | 0 | 0 | 112.2 | Y41 C42 E193 K194 P197 W326 V329 | Y41-F191 HydrophobicContact CD2-CD1 4.01Å; Y41-F191 AromaticContact CD2-CE1 3.46Å; Y41-F191 HydrophobicContact CD2-CE1 3.46Å; Y41-F191 VanDerWaalsContact CD2-CE1 3.46Å; Y41-F191 AromaticContact CD2-CZ 3.8Å; Y41-F191 HydrophobicContact CD2-CZ 3.8Å; Y41-F191 AromaticContact CE2-CD1 3.68Å; Y41-F191 HydrophobicContact CE2-CD1 3.68Å; Y41-F191 AromaticContact CE2-CE1 3.41Å; Y41-F191 HydrophobicContact CE2-CE1 3.41Å; Y41-F191 VanDerWaalsContact CE2-CE1 3.41Å; Y41-F191 HydrophobicContact CE2-CZ 4.23Å; C42-F191 HydrophobicContact CB-CB 3.97Å; C42-F191 HydrophobicContact CB-CD1 4.06Å; C42-F191 HydrophobicContact CB-CG 3.94Å; F191-E193 HydrophobicContact CD1-CB 4.08Å; F191-E193 HydrophobicContact CD1-CG 3.71Å; F191-E193 HydrophobicContact CE1-CB 4.25Å; F191-E193 HydrophobicContact CE1-CG 4.31Å; F191-E193 PolarHBondContact O-N 3.27Å; F191-K194 PolarHBondContact O-N 3.18Å; F191-K194 VanDerWaalsContact O-N 3.15Å; F191-P197 WeakPolarHBondContact O-CG 3.34Å; F191-W326 HydrophobicContact CB-CZ2 4.38Å; F191-W326 AromaticContact CD2-CD2 3.72Å; F191-W326 HydrophobicContact CD2-CD2 3.72Å; F191-W326 AromaticContact CD2-CE3 3.52Å; F191-W326 HydrophobicContact CD2-CE3 3.52Å; F191-W326 HydrophobicContact CD2-CG 4.37Å; F191-W326 HydrophobicContact CD2-CH2 4.09Å; F191-W326 HydrophobicContact CD2-CZ2 4.27Å; F191-W326 AromaticContact CD2-CZ3 3.71Å; F191-W326 HydrophobicContact CD2-CZ3 3.71Å; F191-W326 HydrophobicContact CE2-CD2 4.2Å; F191-W326 AromaticContact CE2-CE3 3.84Å; F191-W326 HydrophobicContact CE2-CE3 3.84Å; F191-W326 HydrophobicContact CE2-CZ3 4.29Å; F191-V329 HydrophobicContact CE2-CB 4.38Å; F191-V329 HydrophobicContact CE2-CG1 3.89Å; F191-V329 HydrophobicContact CZ-CG1 4.16Å | ||
| 192 | T | 91.1 | Very high | 95.1 | Very high | 20 Ų | 20 | 19 Ų | 19 | 12% | 0.123 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -4.3 | -166.2 | 55.9 | 0 | 0 | 0 | 0 | 116.2 | R198 T201 W326 | T192-R198 WeakPolarHBondContact O-CA 3.2Å; T192-R198 VanDerWaalsContact O-CB 3.23Å; T192-R198 WeakPolarHBondContact O-CB 3.11Å; T192-R198 PolarHBondContact O-N 3.4Å; T192-T201 WeakPolarHBondContact CG2-OG1 3.34Å; T192-W326 HydrophobicContact CG2-CB 3.91Å; T192-W326 HydrophobicContact CG2-CG 3.9Å |
| 193 | E | 88.8 | Confident | 95 | Very high | 23 Ų | 23 | 18.9 Ų | 18.9 | 11% | 0.107 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -24.8 | 172.8 | 73 | -173.4 | -163 | 0 | 0 | 113.4 | Y41 H90 F191 R333 | Y41-E193 VanDerWaalsContact CE2-OE2 3.3Å; Y41-E193 WeakPolarHBondContact CE2-OE2 3.48Å; Y41-E193 PolarHBondContact OH-OE1 3.31Å; Y41-E193 PolarHBondContact OH-OE2 3.44Å; Y41-E193 VanDerWaalsContact OH-OE2 3.09Å; H90-E193 WeakPolarHBondContact CB-OE1 3.31Å; H90-E193 IonicContact CD2-OE1 3.63Å; H90-E193 PolarHBondContact CD2-OE1 2.74Å; H90-E193 VanDerWaalsContact CD2-OE1 3.23Å; H90-E193 IonicContact CD2-OE2 3.47Å; H90-E193 IonicContact CG-OE1 3.42Å; H90-E193 IonicContact CG-OE2 2.92Å; F191-E193 HydrophobicContact CD1-CB 4.08Å; F191-E193 HydrophobicContact CD1-CG 3.71Å; F191-E193 HydrophobicContact CE1-CB 4.25Å; F191-E193 HydrophobicContact CE1-CG 4.31Å; F191-E193 PolarHBondContact O-N 3.27Å; E193-R333 IonicContact OE2-NH2 2.59Å |
| 194 | K | 91.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 21.8 Ų | 21.8 | 25% | 0.248 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -73.5 | 152.2 | -178.8 | -56.8 | -61.3 | -178.2 | -179.9 | 0 | 110 | T89 Q190 F191 I196 P197 R198 | T89-K194 PolarHBondContact O-NZ 3.12Å; T89-K194 PolarHBondContact OG1-NZ 2.98Å; Q190-K194 HydrophobicContact CG-CB 3.95Å; Q190-K194 HydrophobicContact CG-CG 3.9Å; F191-K194 PolarHBondContact O-N 3.18Å; F191-K194 VanDerWaalsContact O-N 3.15Å; K194-I196 PolarHBondContact O-N 2.94Å; K194-P197 HydrophobicContact CB-CG 3.92Å; K194-P197 WeakPolarHBondContact O-CD 3.39Å; K194-P197 VanDerWaalsContact O-CG 3.26Å; K194-P197 WeakPolarHBondContact O-CG 3.5Å; K194-R198 WeakPolarHBondContact O-CB 3.43Å; K194-R198 PolarHBondContact O-N 3.31Å |
| 195 | V | 93.4 | Very high | 94.7 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 21% | 0.212 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.3 | -47.5 | -164.5 | 65 | 0 | 0 | 0 | 0 | 114.5 | F199 F221 I254 L257 | V195-F199 HydrophobicContact CG2-CD2 4.06Å; V195-F199 HydrophobicContact CG2-CE1 4.41Å; V195-F199 HydrophobicContact CG2-CE2 3.57Å; V195-F199 HydrophobicContact CG2-CZ 3.77Å; V195-F199 WeakPolarHBondContact O-CG 3.38Å; V195-F199 PolarHBondContact O-N 2.69Å; V195-F221 HydrophobicContact CG1-CE1 4.45Å; V195-F221 HydrophobicContact CG1-CZ 4.33Å; V195-I254 HydrophobicContact CG1-CD1 4.43Å; V195-I254 HydrophobicContact CG2-CD1 4.34Å; V195-I254 HydrophobicContact CG2-CG2 4.09Å; V195-L257 HydrophobicContact CG1-CD2 3.99Å; V195-L257 HydrophobicContact CG2-CD2 4.12Å |
| 196 | I | 96.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -60 | 179.5 | -66.4 | 167.1 | 0 | 0 | 0 | 110.9 | Y186 K194 R198 F199 L200 F221 L257 L261 W308 I312 T315 | Y186-I196 HydrophobicContact CD2-CD1 3.7Å; Y186-I196 HydrophobicContact CG-CD1 3.72Å; K194-I196 PolarHBondContact O-N 2.94Å; I196-R198 VanDerWaalsContact C-N 3.26Å; I196-R198 PolarHBondContact O-N 2.83Å; I196-F199 PolarHBondContact O-N 3.49Å; I196-L200 HydrophobicContact CG2-CD1 4.01Å; I196-L200 HydrophobicContact CG2-CG 4.49Å; I196-L200 WeakPolarHBondContact O-CG 3.42Å; I196-L200 PolarHBondContact O-N 3.18Å; I196-F221 HydrophobicContact CD1-CD1 3.99Å; I196-F221 HydrophobicContact CD1-CE1 3.68Å; I196-F221 HydrophobicContact CD1-CZ 4.42Å; I196-F221 HydrophobicContact CG1-CE1 4.33Å; I196-L257 HydrophobicContact CG1-CD1 3.99Å; I196-L257 HydrophobicContact CG1-CD2 3.71Å; I196-L257 HydrophobicContact CG1-CG 4.43Å; I196-L261 HydrophobicContact CG2-CD1 4.33Å; I196-W308 HydrophobicContact CD1-CH2 4.25Å; I196-I312 HydrophobicContact CD1-CD1 4.04Å; I196-I312 HydrophobicContact CG1-CD1 4.38Å; I196-I312 HydrophobicContact CG2-CD1 4Å; I196-T315 HydrophobicContact CG2-CG2 3.91Å |
| 197 | P | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.8 | -26.7 | -178.3 | 27.9 | -37.9 | 0 | 0 | 0 | 113.7 | Q190 F191 K194 L200 T201 Y319 | Q190-P197 HydrophobicContact CB-CG 4.14Å; Q190-P197 HydrophobicContact CG-CG 4.02Å; F191-P197 WeakPolarHBondContact O-CG 3.34Å; K194-P197 HydrophobicContact CB-CG 3.92Å; K194-P197 WeakPolarHBondContact O-CD 3.39Å; K194-P197 VanDerWaalsContact O-CG 3.26Å; K194-P197 WeakPolarHBondContact O-CG 3.5Å; P197-L200 PolarHBondContact O-N 3.27Å; P197-T201 WeakPolarHBondContact O-CB 3.32Å; P197-T201 PolarHBondContact O-N 3.48Å; P197-T201 PolarHBondContact O-OG1 3.24Å; P197-Y319 HydrophobicContact CB-CE1 3.63Å; P197-Y319 HydrophobicContact CB-CE2 4.12Å; P197-Y319 VanDerWaalsContact CB-CZ 3.43Å; P197-Y319 WeakPolarHBondContact CB-OH 3.5Å |
| 198 | R | 94.3 | Very high | 94.3 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 23% | 0.226 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -49.1 | 171.6 | -169.7 | 176.1 | 73.2 | 160.3 | 5.9 | 111.2 | T192 K194 I196 T201 L202 T210 | T192-R198 WeakPolarHBondContact O-CA 3.2Å; T192-R198 VanDerWaalsContact O-CB 3.23Å; T192-R198 WeakPolarHBondContact O-CB 3.11Å; T192-R198 PolarHBondContact O-N 3.4Å; K194-R198 WeakPolarHBondContact O-CB 3.43Å; K194-R198 PolarHBondContact O-N 3.31Å; I196-R198 VanDerWaalsContact C-N 3.26Å; I196-R198 PolarHBondContact O-N 2.83Å; R198-T201 PolarHBondContact O-N 2.98Å; R198-L202 HydrophobicContact CG-CD1 4.14Å; R198-L202 WeakPolarHBondContact O-CB 3.35Å; R198-L202 VanDerWaalsContact O-CG 3.29Å; R198-L202 WeakPolarHBondContact O-CG 3.07Å; R198-L202 PolarHBondContact O-N 2.86Å; R198-T210 PolarHBondContact NH2-O 3.12Å |
| 199 | F | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 176.6 | -71.3 | -13.3 | 0 | 0 | 0 | 111.9 | V195 I196 T201 L202 L203 C209 T210 I211 I254 L257 A258 L261 | V195-F199 HydrophobicContact CG2-CD2 4.06Å; V195-F199 HydrophobicContact CG2-CE1 4.41Å; V195-F199 HydrophobicContact CG2-CE2 3.57Å; V195-F199 HydrophobicContact CG2-CZ 3.77Å; V195-F199 WeakPolarHBondContact O-CG 3.38Å; V195-F199 PolarHBondContact O-N 2.69Å; I196-F199 PolarHBondContact O-N 3.49Å; F199-T201 VanDerWaalsContact C-N 3.35Å; F199-T201 PolarHBondContact O-N 2.86Å; F199-L202 HydrophobicContact CD1-CD1 4.41Å; F199-L202 PolarHBondContact O-N 3.3Å; F199-L203 WeakPolarHBondContact O-CB 3.14Å; F199-L203 VanDerWaalsContact O-CG 3.23Å; F199-L203 WeakPolarHBondContact O-CG 3.44Å; F199-L203 PolarHBondContact O-N 3Å; F199-C209 HydrophobicContact CD1-CB 3.71Å; F199-C209 HydrophobicContact CD2-CB 4.5Å; F199-C209 HydrophobicContact CE1-CB 3.87Å; F199-C209 HydrophobicContact CG-CB 4.05Å; F199-C209 HydrophobicContact CZ-CB 4.34Å; F199-T210 WeakPolarHBondContact CE1-O 3.39Å; F199-I211 HydrophobicContact CZ-CG1 4.08Å; F199-I254 HydrophobicContact CE2-CG2 4.08Å; F199-I254 HydrophobicContact CZ-CG2 4.11Å; F199-L257 HydrophobicContact CD2-CG 4.48Å; F199-A258 HydrophobicContact CD2-CB 4.11Å; F199-A258 HydrophobicContact CE2-CB 3.75Å; F199-A258 HydrophobicContact CZ-CB 4.36Å; F199-L261 HydrophobicContact CB-CD1 3.67Å; F199-L261 HydrophobicContact CD2-CD1 4.12Å; F199-L261 HydrophobicContact CG-CD1 4.43Å |
| 200 | L | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 175.3 | -64.5 | 176 | 0 | 0 | 0 | 111.8 | I196 P197 L202 L203 Q204 L261 V265 T315 V316 Y319 | I196-L200 HydrophobicContact CG2-CD1 4.01Å; I196-L200 HydrophobicContact CG2-CG 4.49Å; I196-L200 WeakPolarHBondContact O-CG 3.42Å; I196-L200 PolarHBondContact O-N 3.18Å; P197-L200 PolarHBondContact O-N 3.27Å; L200-L202 PolarHBondContact O-N 3.14Å; L200-L203 PolarHBondContact O-N 2.96Å; L200-Q204 WeakPolarHBondContact O-CB 3.4Å; L200-Q204 VanDerWaalsContact O-CG 3.23Å; L200-Q204 WeakPolarHBondContact O-CG 3.29Å; L200-Q204 PolarHBondContact O-N 2.83Å; L200-L261 HydrophobicContact CD2-CB 4.49Å; L200-L261 HydrophobicContact CD2-CD1 4.25Å; L200-L261 HydrophobicContact CD2-CD2 3.97Å; L200-L261 HydrophobicContact CD2-CG 4.46Å; L200-L261 HydrophobicContact CG-CD1 4.34Å; L200-V265 HydrophobicContact CD2-CG2 3.69Å; L200-T315 HydrophobicContact CD1-CG2 4.4Å; L200-V316 HydrophobicContact CD2-CG1 4.49Å; L200-V316 HydrophobicContact CD2-CG2 3.91Å; L200-Y319 HydrophobicContact CB-CG 4.49Å; L200-Y319 HydrophobicContact CD1-CD2 3.36Å; L200-Y319 HydrophobicContact CD1-CE2 4.06Å; L200-Y319 HydrophobicContact CD1-CG 3.73Å |
| 201 | T | 93.1 | Very high | 93.6 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 178.9 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | T192 P197 R198 F199 R205 | T192-T201 WeakPolarHBondContact CG2-OG1 3.34Å; P197-T201 WeakPolarHBondContact O-CB 3.32Å; P197-T201 PolarHBondContact O-N 3.48Å; P197-T201 PolarHBondContact O-OG1 3.24Å; R198-T201 PolarHBondContact O-N 2.98Å; F199-T201 VanDerWaalsContact C-N 3.35Å; F199-T201 PolarHBondContact O-N 2.86Å; T201-R205 WeakPolarHBondContact O-CB 3.49Å; T201-R205 WeakPolarHBondContact O-CG 3.32Å; T201-R205 PolarHBondContact O-N 2.63Å; T201-R205 VanDerWaalsContact O-N 3.16Å |
| 202 | L | 93.8 | Very high | 93 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 20% | 0.204 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -50 | 176.7 | -74.5 | 165.8 | 0 | 0 | 0 | 110.6 | R198 F199 L200 Q204 R205 N206 N207 K208 | R198-L202 HydrophobicContact CG-CD1 4.14Å; R198-L202 WeakPolarHBondContact O-CB 3.35Å; R198-L202 VanDerWaalsContact O-CG 3.29Å; R198-L202 WeakPolarHBondContact O-CG 3.07Å; R198-L202 PolarHBondContact O-N 2.86Å; F199-L202 HydrophobicContact CD1-CD1 4.41Å; F199-L202 PolarHBondContact O-N 3.3Å; L200-L202 PolarHBondContact O-N 3.14Å; L202-Q204 PolarHBondContact O-N 3Å; L202-R205 CarbonylContact O-C 3.54Å; L202-R205 WeakPolarHBondContact O-CA 3.35Å; L202-R205 PolarHBondContact O-N 3.04Å; L202-R205 VanDerWaalsContact O-N 3.08Å; L202-N206 PolarHBondContact O-N 2.93Å; L202-N207 CarbonylContact C-O 3.57Å; L202-N207 HydrophobicContact CB-CB 4.19Å; L202-N207 HydrophobicContact CD2-CB 3.8Å; L202-N207 WeakPolarHBondContact O-CA 3.39Å; L202-N207 WeakPolarHBondContact O-CB 3.14Å; L202-N207 PolarHBondContact O-N 2.91Å; L202-K208 WeakPolarHBondContact CD1-O 3.35Å |
| 203 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | -179.9 | -67.2 | 170.6 | 0 | 0 | 0 | 111.4 | F199 L200 R205 N206 L261 V262 V265 K266 W276 | F199-L203 WeakPolarHBondContact O-CB 3.14Å; F199-L203 VanDerWaalsContact O-CG 3.23Å; F199-L203 WeakPolarHBondContact O-CG 3.44Å; F199-L203 PolarHBondContact O-N 3Å; L200-L203 PolarHBondContact O-N 2.96Å; L203-R205 PolarHBondContact O-N 2.8Å; L203-N206 PolarHBondContact O-N 3.47Å; L203-L261 HydrophobicContact CD1-CB 4.1Å; L203-V262 HydrophobicContact CD1-CG2 4.15Å; L203-V262 HydrophobicContact CD2-CG2 3.85Å; L203-V265 HydrophobicContact CB-CB 4.23Å; L203-V265 HydrophobicContact CB-CG1 3.76Å; L203-V265 HydrophobicContact CD1-CB 4.15Å; L203-V265 HydrophobicContact CD1-CG2 4.28Å; L203-K266 HydrophobicContact CD2-CG 4.19Å; L203-K266 WeakPolarHBondContact O-CE 3.38Å; L203-K266 PolarHBondContact O-NZ 3.08Å; L203-W276 HydrophobicContact CD2-CB 4.35Å; L203-W276 HydrophobicContact CD2-CD2 4.42Å; L203-W276 HydrophobicContact CD2-CE3 3.94Å |
| 204 | Q | 91 | Very high | 91.7 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.3 | -30.5 | 175.7 | -74.4 | 172.6 | -27.2 | 0 | 0 | 112.7 | L200 L202 N206 Y319 | L200-Q204 WeakPolarHBondContact O-CB 3.4Å; L200-Q204 VanDerWaalsContact O-CG 3.23Å; L200-Q204 WeakPolarHBondContact O-CG 3.29Å; L200-Q204 PolarHBondContact O-N 2.83Å; L202-Q204 PolarHBondContact O-N 3Å; Q204-N206 VanDerWaalsContact C-N 3.31Å; Q204-Y319 PolarHBondContact NE2-O 2.97Å |
| 205 | R | 91.3 | Very high | 90.7 | Very high | 134 Ų | 134 | 45 Ų | 45 | 51% | 0.506 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 13.4 | 175.7 | -66.5 | 177.7 | -178 | 177.6 | 2.8 | 114.1 | T201 L202 L203 N207 | T201-R205 WeakPolarHBondContact O-CB 3.49Å; T201-R205 WeakPolarHBondContact O-CG 3.32Å; T201-R205 PolarHBondContact O-N 2.63Å; T201-R205 VanDerWaalsContact O-N 3.16Å; L202-R205 CarbonylContact O-C 3.54Å; L202-R205 WeakPolarHBondContact O-CA 3.35Å; L202-R205 PolarHBondContact O-N 3.04Å; L202-R205 VanDerWaalsContact O-N 3.08Å; L203-R205 PolarHBondContact O-N 2.8Å; R205-N207 WeakPolarHBondContact CB-ND2 3.49Å; R205-N207 PolarHBondContact O-N 2.88Å; R205-N207 PolarHBondContact O-ND2 3.27Å |
| 206 | N | 94.6 | Very high | 89.5 | Confident | 116 Ų | 116 | 48.1 Ų | 48.1 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 30.7 | -175.7 | -65.9 | -50.8 | 0 | 0 | 0 | 114.4 | L202 L203 Q204 K266 | L202-N206 PolarHBondContact O-N 2.93Å; L203-N206 PolarHBondContact O-N 3.47Å; Q204-N206 VanDerWaalsContact C-N 3.31Å; N206-K266 PolarHBondContact OD1-NZ 3.39Å |
| 207 | N | 95.3 | Very high | 88.9 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 159.6 | 172.1 | -62.4 | -54.5 | 0 | 0 | 0 | 111.1 | L202 R205 | L202-N207 CarbonylContact C-O 3.57Å; L202-N207 HydrophobicContact CB-CB 4.19Å; L202-N207 HydrophobicContact CD2-CB 3.8Å; L202-N207 WeakPolarHBondContact O-CA 3.39Å; L202-N207 WeakPolarHBondContact O-CB 3.14Å; L202-N207 PolarHBondContact O-N 2.91Å; R205-N207 WeakPolarHBondContact CB-ND2 3.49Å; R205-N207 PolarHBondContact O-N 2.88Å; R205-N207 PolarHBondContact O-ND2 3.27Å |
| 208 | K | 96.4 | Very high | 88.6 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 150.6 | 176.4 | -57.3 | -171 | -177.7 | -155.2 | 0 | 111.6 | L202 T210 D275 W276 E278 | L202-K208 WeakPolarHBondContact CD1-O 3.35Å; K208-T210 PolarHBondContact O-N 3.19Å; K208-D275 VanDerWaalsContact CD-O 3.3Å; K208-D275 WeakPolarHBondContact CD-O 3.44Å; K208-D275 WeakPolarHBondContact CE-O 3.37Å; K208-D275 PolarHBondContact NZ-O 3.34Å; K208-W276 CarbonylContact C-O 3.56Å; K208-W276 VanDerWaalsContact CA-O 3.29Å; K208-W276 WeakPolarHBondContact CA-O 3.41Å; K208-W276 WeakPolarHBondContact CB-O 3.34Å; K208-E278 HydrophobicContact CB-CB 4.12Å; K208-E278 HydrophobicContact CD-CB 4.11Å |
| 209 | C | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 117.1 | 167.1 | -66.3 | 0 | 0 | 0 | 0 | 109.7 | F199 A258 W276 E278 | F199-C209 HydrophobicContact CD1-CB 3.71Å; F199-C209 HydrophobicContact CD2-CB 4.5Å; F199-C209 HydrophobicContact CE1-CB 3.87Å; F199-C209 HydrophobicContact CG-CB 4.05Å; F199-C209 HydrophobicContact CZ-CB 4.34Å; C209-A258 HydrophobicContact CB-CB 4.19Å; C209-W276 PolarHBondContact N-O 3.07Å; C209-E278 PolarHBondContact O-N 2.99Å |
| 210 | T | 91.4 | Very high | 88.2 | Confident | 33 Ų | 33 | 49.1 Ų | 49.1 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.8 | 179.1 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | R198 F199 K208 E278 V280 | R198-T210 PolarHBondContact NH2-O 3.12Å; F199-T210 WeakPolarHBondContact CE1-O 3.39Å; K208-T210 PolarHBondContact O-N 3.19Å; T210-E278 CarbonylContact C-O 3.47Å; T210-E278 WeakPolarHBondContact CA-O 3.23Å; T210-V280 HydrophobicContact CG2-CG1 3.98Å |
| 211 | I | 89.4 | Confident | 88.2 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.1 | 179.8 | -55 | -177.5 | 0 | 0 | 0 | 108.9 | F199 I254 V255 A258 I277 E278 F279 V280 | F199-I211 HydrophobicContact CZ-CG1 4.08Å; I211-I254 HydrophobicContact CG2-CG2 4.4Å; I211-V255 HydrophobicContact CD1-CB 4.31Å; I211-V255 HydrophobicContact CD1-CG2 3.91Å; I211-V255 HydrophobicContact CG2-CG2 4.36Å; I211-A258 HydrophobicContact CD1-CB 3.88Å; I211-I277 HydrophobicContact CD1-CG2 3.59Å; I211-I277 HydrophobicContact CG1-CG2 4.17Å; I211-E278 PolarHBondContact N-O 3.48Å; I211-F279 HydrophobicContact CB-CD1 3.93Å; I211-F279 HydrophobicContact CB-CE1 4.04Å; I211-F279 HydrophobicContact CD1-CE1 4.33Å; I211-F279 HydrophobicContact CG2-CD1 4.06Å; I211-F279 HydrophobicContact CG2-CE1 3.92Å; I211-F279 CarbonylContact O-C 3.44Å; I211-F279 WeakPolarHBondContact O-CA 3.48Å; I211-V280 WeakPolarHBondContact O-CG2 3.42Å; I211-V280 PolarHBondContact O-N 3.05Å |
| 212 | Q | 83.3 | Confident | 88.4 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 125 | -176.5 | -70.4 | 174.8 | -18.3 | 0 | 0 | 111.4 | E92 M217 V280 R283 | E92-Q212 PolarHBondContact OE1-NE2 3.38Å; E92-Q212 VanDerWaalsContact OE1-NE2 3.16Å; Q212-M217 HydrophobicContact CB-CE 4.4Å; Q212-M217 WeakPolarHBondContact O-CE 3.47Å; Q212-V280 HydrophobicContact CG-CG2 3.88Å; Q212-R283 VanDerWaalsContact NE2-NH2 3.19Å; Q212-R283 VanDerWaalsContact OE1-NH2 3.11Å |
| 213 | G | 80.1 | Confident | 88.7 | Confident | 11 Ų | 11 | 47 Ų | 47 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 62 | -176.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F279 V280 | G213-F279 VanDerWaalsContact O-CD1 3.26Å; G213-F279 WeakPolarHBondContact O-CD1 3.42Å; G213-V280 PolarHBondContact N-O 2.52Å |
| 214 | T | 72.6 | Confident | 88.8 | Confident | 122 Ų | 122 | 47.1 Ų | 47.1 | 75% | 0.748 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -111.8 | 0.7 | 179.8 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 215 | L | 69.8 | Low | 89.2 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -69.9 | 144 | -179.6 | -66.6 | 176.1 | 0 | 0 | 0 | 110.9 | M217 L288 | L215-M217 VanDerWaalsContact C-N 3.26Å; L215-M217 PolarHBondContact O-N 2.52Å; L215-L288 HydrophobicContact CB-CD2 4.03Å; L215-L288 HydrophobicContact CD1-CD2 4.28Å |
| 216 | P | 68.1 | Low | 89.5 | Confident | 101 Ų | 101 | 39.6 Ų | 39.6 | 66% | 0.656 | 22% | 0.22 | S | C | * | . | trans | -73.4 | 80.8 | -179.7 | 31.2 | -34.6 | 0 | 0 | 0 | 110.3 | ||||
| 217 | M | 84.1 | Confident | 89.7 | Confident | 21 Ų | 21 | 34 Ų | 34 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | trans | -77.3 | 128 | 171.6 | -68 | -177.6 | -73.9 | 0 | 0 | 109.9 | Q212 L215 P253 I254 V286 | Q212-M217 HydrophobicContact CB-CE 4.4Å; Q212-M217 WeakPolarHBondContact O-CE 3.47Å; L215-M217 VanDerWaalsContact C-N 3.26Å; L215-M217 PolarHBondContact O-N 2.52Å; M217-P253 WeakPolarHBondContact O-CA 3.48Å; M217-I254 HydrophobicContact CB-CG1 4.01Å; M217-I254 PolarHBondContact O-N 3.39Å; M217-V286 HydrophobicContact CG-CG1 3.59Å; M217-V286 HydrophobicContact SD-CG1 3.19Å; M217-V286 WeakPolarHBondContact SD-CG1 3.48Å | ||
| 218 | S | 88.8 | Confident | 89.9 | Confident | 13 Ų | 13 | 30.5 Ų | 30.5 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.4 | 172.7 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | E251 I252 P253 L288 | S218-E251 WeakPolarHBondContact CB-OE1 3.19Å; S218-I252 WeakPolarHBondContact CA-O 3.38Å; S218-P253 WeakPolarHBondContact OG-CA 3.27Å; S218-L288 PolarHBondContact N-O 3.04Å |
| 219 | R | 90.4 | Very high | 90 | Very high | 34 Ų | 34 | 29.3 Ų | 29.3 | 13% | 0.128 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.8 | 175.4 | -67.2 | -64.8 | -178.7 | -89.7 | 8 | 109.9 | F221 E251 I252 I254 D287 L288 | R219-F221 HydrophobicContact CB-CD2 4.33Å; R219-F221 HydrophobicContact CB-CE2 3.76Å; R219-F221 HydrophobicContact CB-CZ 3.94Å; R219-F221 WeakPolarHBondContact O-CD2 3.09Å; R219-E251 WeakPolarHBondContact O-CA 3.08Å; R219-I252 PolarHBondContact N-O 3.38Å; R219-I252 VanDerWaalsContact N-O 3.1Å; R219-I252 PolarHBondContact O-N 3.05Å; R219-I254 HydrophobicContact CG-CD1 4.22Å; R219-D287 PolarHBondContact NH1-O 3.36Å; R219-D287 PolarHBondContact NH2-O 3Å; R219-L288 PolarHBondContact NH1-O 3.1Å; R219-L288 VanDerWaalsContact NH1-O 3.1Å |
| 220 | H | 93.6 | Very high | 90.1 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 6% | 0.06 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129 | 166.6 | -66.1 | 89.7 | 0 | 0 | 0 | 108.4 | N183 N184 T248 V250 Y290 | N183-H220 HydrophobicContact CB-CB 4.04Å; N183-H220 VanDerWaalsContact CG-CB 3.45Å; N183-H220 WeakPolarHBondContact OD1-CB 3.24Å; N184-H220 WeakPolarHBondContact CB-O 3.5Å; N184-H220 PolarHBondContact N-O 3.23Å; H220-T248 PolarHBondContact CD2-O 3.29Å; H220-V250 VanDerWaalsContact CA-O 3.24Å; H220-V250 WeakPolarHBondContact CA-O 3.32Å; H220-Y290 PolarHBondContact ND1-O 3.42Å |
| 221 | F | 95.5 | Very high | 90.5 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.3 | -178 | -73.7 | -82.4 | 0 | 0 | 0 | 111.3 | N184 Y186 V195 I196 R219 T248 V250 I252 I254 L257 W308 | N184-F221 HydrophobicContact CB-CD1 4.09Å; N184-F221 HydrophobicContact CB-CE1 4.23Å; N184-F221 WeakPolarHBondContact O-CA 3.15Å; Y186-F221 HydrophobicContact CD1-CB 3.78Å; Y186-F221 AromaticContact CD1-CD1 3.95Å; Y186-F221 HydrophobicContact CD1-CD1 3.95Å; Y186-F221 HydrophobicContact CD1-CG 4.31Å; Y186-F221 HydrophobicContact CE1-CB 3.77Å; Y186-F221 HydrophobicContact CG-CD1 4.27Å; V195-F221 HydrophobicContact CG1-CE1 4.45Å; V195-F221 HydrophobicContact CG1-CZ 4.33Å; I196-F221 HydrophobicContact CD1-CD1 3.99Å; I196-F221 HydrophobicContact CD1-CE1 3.68Å; I196-F221 HydrophobicContact CD1-CZ 4.42Å; I196-F221 HydrophobicContact CG1-CE1 4.33Å; R219-F221 HydrophobicContact CB-CD2 4.33Å; R219-F221 HydrophobicContact CB-CE2 3.76Å; R219-F221 HydrophobicContact CB-CZ 3.94Å; R219-F221 WeakPolarHBondContact O-CD2 3.09Å; F221-T248 PolarHBondContact O-OG1 3.14Å; F221-V250 PolarHBondContact N-O 3.4Å; F221-I252 HydrophobicContact CD2-CB 3.84Å; F221-I252 HydrophobicContact CD2-CG1 3.92Å; F221-I252 HydrophobicContact CE2-CB 3.85Å; F221-I252 HydrophobicContact CE2-CG1 4.42Å; F221-I254 HydrophobicContact CZ-CD1 4.42Å; F221-L257 HydrophobicContact CZ-CD2 4.03Å; F221-W308 HydrophobicContact CB-CE3 3.92Å; F221-W308 HydrophobicContact CB-CZ3 3.51Å; F221-W308 HydrophobicContact CD1-CH2 4.5Å; F221-W308 HydrophobicContact CD1-CZ3 4.1Å; F221-W308 HydrophobicContact CD2-CH2 4.04Å; F221-W308 AromaticContact CD2-CZ3 3.8Å; F221-W308 HydrophobicContact CD2-CZ3 3.8Å; F221-W308 HydrophobicContact CE2-CH2 4.38Å; F221-W308 HydrophobicContact CG-CE3 4.37Å; F221-W308 HydrophobicContact CG-CH2 4.11Å; F221-W308 AromaticContact CG-CZ3 3.53Å; F221-W308 HydrophobicContact CG-CZ3 3.53Å |
| 222 | L | 97.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126.1 | 176.4 | 175.7 | 64.2 | 0 | 0 | 0 | 109 | N183 N184 I185 Y186 D226 A227 V246 T248 W302 | N183-L222 HydrophobicContact CB-CB 4.41Å; N184-L222 PolarHBondContact O-N 3.06Å; I185-L222 CarbonylContact C-O 3.55Å; I185-L222 VanDerWaalsContact CA-O 3.22Å; I185-L222 WeakPolarHBondContact CA-O 3.09Å; I185-L222 HydrophobicContact CG1-CB 4.39Å; I185-L222 HydrophobicContact CG1-CD2 4.12Å; I185-L222 HydrophobicContact CG1-CG 4.45Å; Y186-L222 WeakPolarHBondContact CD1-O 3.25Å; Y186-L222 PolarHBondContact N-O 3.1Å; L222-D226 HydrophobicContact CD1-CB 3.74Å; L222-A227 HydrophobicContact CD2-CB 3.69Å; L222-A227 HydrophobicContact CG-CB 4.13Å; L222-V246 HydrophobicContact CD2-CB 4.48Å; L222-V246 HydrophobicContact CD2-CG1 3.69Å; L222-T248 HydrophobicContact CD1-CG2 3.67Å; L222-W302 HydrophobicContact CD1-CH2 3.94Å; L222-W302 HydrophobicContact CD1-CZ2 3.99Å |
| 223 | F | 98.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 4% | 0.044 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 141.9 | 178.6 | -169.8 | -116.9 | 0 | 0 | 0 | 110.6 | Y186 S225 D226 A227 T306 G311 Q314 | Y186-F223 HydrophobicContact CD2-CD2 4.27Å; Y186-F223 HydrophobicContact CE1-CB 4.09Å; Y186-F223 HydrophobicContact CE1-CD2 4.35Å; Y186-F223 AromaticContact CE2-CD2 3.86Å; Y186-F223 HydrophobicContact CE2-CD2 3.86Å; Y186-F223 AromaticContact CZ-CD2 3.91Å; Y186-F223 WeakPolarHBondContact O-CD2 3.27Å; F223-S225 VanDerWaalsContact C-N 3.31Å; F223-S225 WeakPolarHBondContact CD1-OG 3.41Å; F223-S225 VanDerWaalsContact CE1-OG 3.31Å; F223-S225 WeakPolarHBondContact CE1-OG 3.5Å; F223-S225 PolarHBondContact O-N 2.81Å; F223-D226 WeakPolarHBondContact O-CB 3.48Å; F223-D226 PolarHBondContact O-N 2.84Å; F223-D226 VanDerWaalsContact O-N 3.08Å; F223-A227 PolarHBondContact O-N 2.97Å; F223-A227 VanDerWaalsContact O-N 3.14Å; F223-T306 HydrophobicContact CB-CG2 4.06Å; F223-T306 HydrophobicContact CD1-CG2 3.59Å; F223-T306 WeakPolarHBondContact CD1-OG1 3.29Å; F223-T306 HydrophobicContact CE1-CG2 4.15Å; F223-T306 HydrophobicContact CG-CG2 3.85Å; F223-G311 WeakPolarHBondContact CE2-O 3.29Å; F223-Q314 HydrophobicContact CZ-CB 4.24Å; F223-Q314 VanDerWaalsContact CZ-OE1 3.32Å |
| 224 | V | 98.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -33.3 | -168.6 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | F15 H19 I185 Y186 A227 V228 | F15-V224 HydrophobicContact CE2-CB 3.98Å; F15-V224 HydrophobicContact CE2-CG1 4.2Å; F15-V224 HydrophobicContact CE2-CG2 3.78Å; F15-V224 HydrophobicContact CZ-CB 3.78Å; F15-V224 HydrophobicContact CZ-CG1 4.37Å; F15-V224 HydrophobicContact CZ-CG2 3.83Å; H19-V224 HydrophobicContact CB-CG2 3.84Å; H19-V224 VanDerWaalsContact CD2-CG2 3.47Å; H19-V224 WeakPolarHBondContact CD2-CG2 3.41Å; H19-V224 VanDerWaalsContact CE1-CG1 3.43Å; H19-V224 WeakPolarHBondContact CE1-CG1 3.48Å; I185-V224 HydrophobicContact CG2-CB 3.74Å; I185-V224 HydrophobicContact CG2-CG2 3.89Å; Y186-V224 WeakPolarHBondContact O-CB 3.49Å; Y186-V224 PolarHBondContact O-N 2.99Å; V224-A227 PolarHBondContact O-N 3.23Å; V224-V228 WeakPolarHBondContact O-CG2 3.27Å; V224-V228 PolarHBondContact O-N 2.84Å |
| 225 | S | 98.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 22.2 Ų | 22.2 | 30% | 0.301 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 175.5 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | F223 A227 V228 Q229 | F223-S225 VanDerWaalsContact C-N 3.31Å; F223-S225 WeakPolarHBondContact CD1-OG 3.41Å; F223-S225 VanDerWaalsContact CE1-OG 3.31Å; F223-S225 WeakPolarHBondContact CE1-OG 3.5Å; F223-S225 PolarHBondContact O-N 2.81Å; S225-A227 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 2.99Å; S225-V228 PolarHBondContact O-N 3.41Å; S225-Q229 WeakPolarHBondContact O-CG 3.4Å; S225-Q229 PolarHBondContact O-N 2.83Å |
| 226 | D | 98.5 | Very high | 95 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -37 | 176.8 | -61.1 | -43.1 | 0 | 0 | 0 | 111 | L222 F223 Q229 A230 W302 A304 E305 T306 | L222-D226 HydrophobicContact CD1-CB 3.74Å; F223-D226 WeakPolarHBondContact O-CB 3.48Å; F223-D226 PolarHBondContact O-N 2.84Å; F223-D226 VanDerWaalsContact O-N 3.08Å; D226-Q229 PolarHBondContact O-N 2.88Å; D226-A230 PolarHBondContact O-N 2.95Å; D226-W302 HydrophobicContact CB-CZ2 4.18Å; D226-W302 PolarHBondContact O-NE1 3.16Å; D226-W302 VanDerWaalsContact O-NE1 3.14Å; D226-A304 HydrophobicContact CB-CB 4.24Å; D226-E305 PolarHBondContact OD1-N 3.13Å; D226-T306 PolarHBondContact OD1-N 3.3Å; D226-T306 PolarHBondContact OD1-OG1 3.15Å; D226-T306 WeakPolarHBondContact OD2-CB 3.34Å; D226-T306 PolarHBondContact OD2-N 2.85Å; D226-T306 PolarHBondContact OD2-OG1 3.13Å |
| 227 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I185 L222 F223 V224 S225 A230 F231 | I185-A227 HydrophobicContact CD1-CB 3.6Å; I185-A227 HydrophobicContact CG1-CB 3.87Å; I185-A227 HydrophobicContact CG2-CB 4.25Å; L222-A227 HydrophobicContact CD2-CB 3.69Å; L222-A227 HydrophobicContact CG-CB 4.13Å; F223-A227 PolarHBondContact O-N 2.97Å; F223-A227 VanDerWaalsContact O-N 3.14Å; V224-A227 PolarHBondContact O-N 3.23Å; S225-A227 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 2.99Å; A227-A230 WeakPolarHBondContact O-CB 3.49Å; A227-A230 PolarHBondContact O-N 3.42Å; A227-F231 WeakPolarHBondContact O-CD1 3.22Å; A227-F231 WeakPolarHBondContact O-CD2 3.44Å; A227-F231 VanDerWaalsContact O-CG 3.27Å; A227-F231 WeakPolarHBondContact O-CG 3.26Å; A227-F231 PolarHBondContact O-N 2.96Å |
| 228 | V | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 22.6 Ų | 22.6 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 175.8 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | H19 L20 V224 S225 A230 F231 L232 | H19-V228 HydrophobicContact CB-CG2 3.76Å; L20-V228 HydrophobicContact CB-CG2 4.2Å; L20-V228 HydrophobicContact CD1-CG1 4Å; V224-V228 WeakPolarHBondContact O-CG2 3.27Å; V224-V228 PolarHBondContact O-N 2.84Å; S225-V228 PolarHBondContact O-N 3.41Å; V228-A230 VanDerWaalsContact C-N 3.26Å; V228-A230 PolarHBondContact O-N 3.18Å; V228-F231 PolarHBondContact O-N 2.89Å; V228-F231 VanDerWaalsContact O-N 3.13Å; V228-L232 HydrophobicContact CG1-CD1 4.2Å; V228-L232 HydrophobicContact CG1-CG 4.47Å; V228-L232 WeakPolarHBondContact O-CG 3.41Å; V228-L232 PolarHBondContact O-N 3.34Å |
| 229 | Q | 98.5 | Very high | 97.6 | Very high | 70 Ų | 70 | 25.7 Ų | 25.7 | 33% | 0.327 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58 | -39.1 | 174.2 | -72.3 | 176.5 | -3.2 | 0 | 0 | 111.7 | S225 D226 L232 L233 E305 | S225-Q229 WeakPolarHBondContact O-CG 3.4Å; S225-Q229 PolarHBondContact O-N 2.83Å; D226-Q229 PolarHBondContact O-N 2.88Å; Q229-L232 PolarHBondContact O-N 3.04Å; Q229-L233 WeakPolarHBondContact O-CB 3.48Å; Q229-L233 PolarHBondContact O-N 3.05Å; Q229-E305 PolarHBondContact NE2-OE2 2.86Å |
| 230 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D226 A227 V228 L232 L233 V234 V246 L297 W302 | D226-A230 PolarHBondContact O-N 2.95Å; A227-A230 WeakPolarHBondContact O-CB 3.49Å; A227-A230 PolarHBondContact O-N 3.42Å; V228-A230 VanDerWaalsContact C-N 3.26Å; V228-A230 PolarHBondContact O-N 3.18Å; A230-L232 PolarHBondContact O-N 2.92Å; A230-L233 PolarHBondContact O-N 3.44Å; A230-V234 WeakPolarHBondContact O-CB 3.25Å; A230-V234 WeakPolarHBondContact O-CG2 3.36Å; A230-V234 PolarHBondContact O-N 3.05Å; A230-V246 HydrophobicContact CB-CB 4.44Å; A230-V246 HydrophobicContact CB-CG1 3.3Å; A230-V246 HydrophobicContact CB-CG2 4.27Å; A230-L297 HydrophobicContact CB-CD2 3.99Å; A230-W302 HydrophobicContact CB-CD2 4.37Å; A230-W302 HydrophobicContact CB-CG 4.39Å; A230-W302 HydrophobicContact CB-CZ2 4.23Å |
| 231 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | -179.6 | -59.9 | -20.6 | 0 | 0 | 0 | 112.1 | I16 F83 L85 V129 T180 I185 A227 V228 V234 L235 V246 | I16-F231 HydrophobicContact CG2-CE2 3.72Å; F83-F231 HydrophobicContact CE1-CB 3.99Å; L85-F231 HydrophobicContact CD2-CE2 4.47Å; V129-F231 HydrophobicContact CG1-CE1 4.26Å; V129-F231 HydrophobicContact CG1-CE2 4.1Å; V129-F231 HydrophobicContact CG1-CZ 3.63Å; V129-F231 HydrophobicContact CG2-CE2 4.27Å; V129-F231 HydrophobicContact CG2-CZ 4.27Å; T180-F231 HydrophobicContact CG2-CD1 4.06Å; T180-F231 HydrophobicContact CG2-CE1 4.31Å; T180-F231 WeakPolarHBondContact OG1-CE1 3.22Å; I185-F231 HydrophobicContact CD1-CZ 4.34Å; A227-F231 WeakPolarHBondContact O-CD1 3.22Å; A227-F231 WeakPolarHBondContact O-CD2 3.44Å; A227-F231 VanDerWaalsContact O-CG 3.27Å; A227-F231 WeakPolarHBondContact O-CG 3.26Å; A227-F231 PolarHBondContact O-N 2.96Å; V228-F231 PolarHBondContact O-N 2.89Å; V228-F231 VanDerWaalsContact O-N 3.13Å; F231-V234 PolarHBondContact O-N 3.45Å; F231-L235 WeakPolarHBondContact O-CB 3.12Å; F231-L235 PolarHBondContact O-N 3.46Å; F231-V246 HydrophobicContact CE1-CG2 4.26Å |
| 232 | L | 98.5 | Very high | 98.3 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 174.8 | -64.2 | 178.4 | 0 | 0 | 0 | 111.6 | L20 L24 Y28 F83 V228 Q229 A230 V234 L235 E236 | L20-L232 HydrophobicContact CD1-CD2 3.93Å; L20-L232 HydrophobicContact CD1-CG 4.32Å; L24-L232 HydrophobicContact CD2-CD2 3.54Å; L24-L232 HydrophobicContact CG-CD2 4.16Å; Y28-L232 HydrophobicContact CE2-CD2 4.41Å; F83-L232 HydrophobicContact CZ-CD2 4.48Å; V228-L232 HydrophobicContact CG1-CD1 4.2Å; V228-L232 HydrophobicContact CG1-CG 4.47Å; V228-L232 WeakPolarHBondContact O-CG 3.41Å; V228-L232 PolarHBondContact O-N 3.34Å; Q229-L232 PolarHBondContact O-N 3.04Å; A230-L232 PolarHBondContact O-N 2.92Å; L232-V234 PolarHBondContact O-N 3.18Å; L232-L235 WeakPolarHBondContact O-CB 3.45Å; L232-L235 PolarHBondContact O-N 3.21Å; L232-E236 PolarHBondContact O-N 3.41Å; L232-E236 VanDerWaalsContact O-N 3.13Å |
| 233 | L | 98.6 | Very high | 98.4 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.2 | -172.1 | 74.9 | 0 | 0 | 0 | 112 | Q229 A230 L235 E236 K237 L297 L300 W302 | Q229-L233 WeakPolarHBondContact O-CB 3.48Å; Q229-L233 PolarHBondContact O-N 3.05Å; A230-L233 PolarHBondContact O-N 3.44Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-E236 PolarHBondContact O-N 2.83Å; L233-K237 HydrophobicContact CD1-CD 3.77Å; L233-K237 HydrophobicContact CD1-CG 4.31Å; L233-K237 PolarHBondContact O-N 3.33Å; L233-L297 HydrophobicContact CD2-CD1 4.38Å; L233-L300 HydrophobicContact CD2-CB 3.95Å; L233-W302 HydrophobicContact CD2-CB 3.48Å; L233-W302 VanDerWaalsContact CD2-CB 3.48Å; L233-W302 HydrophobicContact CD2-CG 4.33Å |
| 234 | V | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 177.5 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | I178 T180 A230 F231 L232 E236 G238 Y244 L297 | I178-V234 HydrophobicContact CB-CG1 4.25Å; I178-V234 HydrophobicContact CD1-CG1 4.13Å; I178-V234 HydrophobicContact CG2-CG1 3.31Å; T180-V234 HydrophobicContact CG2-CG1 4.18Å; A230-V234 WeakPolarHBondContact O-CB 3.25Å; A230-V234 WeakPolarHBondContact O-CG2 3.36Å; A230-V234 PolarHBondContact O-N 3.05Å; F231-V234 PolarHBondContact O-N 3.45Å; L232-V234 PolarHBondContact O-N 3.18Å; V234-E236 VanDerWaalsContact C-N 3.3Å; V234-E236 PolarHBondContact O-N 3.49Å; V234-G238 WeakPolarHBondContact O-CA 3.33Å; V234-G238 PolarHBondContact O-N 2.84Å; V234-Y244 HydrophobicContact CG1-CD2 3.95Å; V234-Y244 HydrophobicContact CG1-CE2 4.32Å; V234-Y244 HydrophobicContact CG2-CD2 4.14Å; V234-Y244 HydrophobicContact CG2-CG 4.03Å; V234-L297 HydrophobicContact CG2-CD1 3.5Å |
| 235 | L | 97.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 171.9 | 172.7 | 67.2 | 0 | 0 | 0 | 111.5 | W31 V81 F83 R125 V127 F231 L232 L233 | W31-L235 HydrophobicContact CH2-CD2 4.14Å; W31-L235 HydrophobicContact CZ3-CD2 3.98Å; V81-L235 HydrophobicContact CB-CD1 4.29Å; V81-L235 HydrophobicContact CG1-CD1 3.37Å; V81-L235 HydrophobicContact CG1-CD2 4.24Å; V81-L235 HydrophobicContact CG1-CG 4.45Å; V81-L235 HydrophobicContact CG2-CD1 3.87Å; F83-L235 HydrophobicContact CE1-CB 4.48Å; F83-L235 HydrophobicContact CE2-CD2 3.88Å; F83-L235 HydrophobicContact CZ-CB 3.84Å; F83-L235 HydrophobicContact CZ-CD1 4.33Å; F83-L235 HydrophobicContact CZ-CD2 3.75Å; F83-L235 HydrophobicContact CZ-CG 4.18Å; R125-L235 HydrophobicContact CB-CD1 3.77Å; R125-L235 HydrophobicContact CG-CD1 3.83Å; V127-L235 HydrophobicContact CG2-CD1 4.47Å; F231-L235 WeakPolarHBondContact O-CB 3.12Å; F231-L235 PolarHBondContact O-N 3.46Å; L232-L235 WeakPolarHBondContact O-CB 3.45Å; L232-L235 PolarHBondContact O-N 3.21Å; L233-L235 VanDerWaalsContact C-N 3.32Å |
| 236 | E | 96.9 | Very high | 98.4 | Very high | 102 Ų | 102 | 26.1 Ų | 26.1 | 48% | 0.477 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -79.2 | -44.9 | -174.7 | -69.5 | -178.3 | 175.3 | 0 | 0 | 113.4 | Y28 L232 L233 V234 | Y28-E236 PolarHBondContact OH-OE1 2.95Å; L232-E236 PolarHBondContact O-N 3.41Å; L232-E236 VanDerWaalsContact O-N 3.13Å; L233-E236 PolarHBondContact O-N 2.83Å; V234-E236 VanDerWaalsContact C-N 3.3Å; V234-E236 PolarHBondContact O-N 3.49Å |
| 237 | K | 98.3 | Very high | 98.2 | Very high | 117 Ų | 117 | 26.2 Ų | 26.2 | 51% | 0.509 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -118.2 | -8.3 | -168.4 | -57.3 | -172.8 | -171.6 | 173.2 | 0 | 114.1 | L233 L300 | L233-K237 HydrophobicContact CD1-CD 3.77Å; L233-K237 HydrophobicContact CD1-CG 4.31Å; L233-K237 PolarHBondContact O-N 3.33Å; K237-L300 HydrophobicContact CB-CD1 4.48Å; K237-L300 HydrophobicContact CB-CD2 4.46Å |
| 238 | G | 98.3 | Very high | 97.9 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 137.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V234 | V234-G238 WeakPolarHBondContact O-CA 3.33Å; V234-G238 PolarHBondContact O-N 2.84Å |
| 239 | T | 98.4 | Very high | 97.4 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 49% | 0.485 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -70.6 | 132.4 | 171.2 | -54.6 | 0 | 0 | 0 | 0 | 108.5 | D242 Y244 | T239-D242 WeakPolarHBondContact O-CB 3.35Å; T239-D242 PolarHBondContact O-N 2.95Å; T239-Y244 PolarHBondContact N-OH 3.26Å; T239-Y244 PolarHBondContact OG1-OH 2.91Å |
| 240 | V | 98.3 | Very high | 97 | Very high | 35 Ų | 35 | 31.2 Ų | 31.2 | 21% | 0.212 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 141.3 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | W170 P176 D242 | W170-V240 HydrophobicContact CE3-CG1 3.94Å; W170-V240 HydrophobicContact CH2-CG1 4.05Å; W170-V240 HydrophobicContact CZ3-CB 4.38Å; W170-V240 HydrophobicContact CZ3-CG1 3.43Å; W170-V240 VanDerWaalsContact CZ3-CG1 3.43Å; P176-V240 HydrophobicContact CB-CG1 3.57Å; P176-V240 HydrophobicContact CB-CG2 4.25Å; V240-D242 VanDerWaalsContact C-N 3.27Å |
| 241 | G | 98.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -11.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I177 | I177-G241 PolarHBondContact O-N 3.15Š|
| 242 | D | 98.4 | Very high | 96.5 | Very high | 55 Ų | 55 | 34.3 Ų | 34.3 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | trans | -93.5 | 162.1 | -173 | -91.5 | 5.8 | 0 | 0 | 0 | 114 | I179 T239 V240 Y244 K296 | I179-D242 PolarHBondContact N-O 3.08Å; T239-D242 WeakPolarHBondContact O-CB 3.35Å; T239-D242 PolarHBondContact O-N 2.95Å; V240-D242 VanDerWaalsContact C-N 3.27Å; D242-Y244 HydrophobicContact CB-CE2 3.87Å; D242-K296 IonicContact OD1-NZ 2.71Å; D242-K296 WeakPolarHBondContact OD2-CE 3.5Å; D242-K296 IonicContact OD2-NZ 3.76Å; D242-K296 PolarHBondContact OD2-NZ 3.39Å | ||
| 243 | V | 98.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.9 | 169.9 | -176.7 | 0 | 0 | 0 | 0 | 110 | E145 I179 R181 K296 | E145-V243 HydrophobicContact CB-CB 4.19Å; E145-V243 HydrophobicContact CB-CG1 4.28Å; E145-V243 HydrophobicContact CG-CB 4.31Å; E145-V243 HydrophobicContact CG-CG1 4.09Å; E145-V243 WeakPolarHBondContact CG-O 3.31Å; I179-V243 HydrophobicContact CB-CB 4.36Å; I179-V243 HydrophobicContact CB-CG1 4.18Å; I179-V243 HydrophobicContact CB-CG2 3.82Å; I179-V243 HydrophobicContact CD1-CG2 4.09Å; I179-V243 HydrophobicContact CG1-CG2 4.47Å; I179-V243 HydrophobicContact CG2-CG1 4.05Å; I179-V243 HydrophobicContact CG2-CG2 4.35Å; I179-V243 CarbonylContact O-C 3.4Å; I179-V243 VanDerWaalsContact O-CA 3.25Å; I179-V243 WeakPolarHBondContact O-CA 3.42Å; R181-V243 HydrophobicContact CG-CG1 4.27Å; V243-K296 WeakPolarHBondContact O-CD 3.42Å; V243-K296 WeakPolarHBondContact O-CE 3.23Å; V243-K296 PolarHBondContact O-NZ 3.3Å |
| 244 | Y | 98.8 | Very high | 96 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.8 | 176 | -66.4 | -86.3 | 0 | 0 | 0 | 111.4 | I178 I179 T180 R181 V234 T239 D242 K296 L297 L300 | I178-Y244 HydrophobicContact CG2-CD2 3.72Å; I178-Y244 HydrophobicContact CG2-CE2 3.91Å; I179-Y244 PolarHBondContact O-N 2.92Å; T180-Y244 CarbonylContact C-O 3.55Å; T180-Y244 VanDerWaalsContact CA-O 3.28Å; T180-Y244 WeakPolarHBondContact CA-O 3.35Å; R181-Y244 PolarHBondContact N-O 2.83Å; V234-Y244 HydrophobicContact CG1-CD2 3.95Å; V234-Y244 HydrophobicContact CG1-CE2 4.32Å; V234-Y244 HydrophobicContact CG2-CD2 4.14Å; V234-Y244 HydrophobicContact CG2-CG 4.03Å; T239-Y244 PolarHBondContact N-OH 3.26Å; T239-Y244 PolarHBondContact OG1-OH 2.91Å; D242-Y244 HydrophobicContact CB-CE2 3.87Å; Y244-K296 HydrophobicContact CD1-CD 4.05Å; Y244-K296 HydrophobicContact CD1-CG 3.99Å; Y244-K296 HydrophobicContact CE1-CD 3.99Å; Y244-K296 HydrophobicContact CE1-CG 3.83Å; Y244-L297 HydrophobicContact CD1-CB 4.27Å; Y244-L297 HydrophobicContact CD1-CD1 4.35Å; Y244-L300 HydrophobicContact CD1-CD1 4.17Å; Y244-L300 HydrophobicContact CE1-CD1 3.48Å; Y244-L300 VanDerWaalsContact CE1-CD1 3.48Å; Y244-L300 HydrophobicContact CE1-CG 4.2Å |
| 245 | N | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 128.2 | 168.1 | -79.1 | -15.6 | 0 | 0 | 0 | 110.1 | Y135 F143 E145 R181 I292 R293 S294 | Y135-N245 WeakPolarHBondContact CE2-OD1 3.36Å; Y135-N245 PolarHBondContact OH-ND2 3.4Å; Y135-N245 PolarHBondContact OH-OD1 2.88Å; F143-N245 PolarHBondContact O-ND2 2.87Å; F143-N245 VanDerWaalsContact O-ND2 3.13Å; E145-N245 HydrophobicContact CG-CB 4.25Å; E145-N245 WeakPolarHBondContact OE1-CB 3.3Å; E145-N245 PolarHBondContact OE1-N 3.35Å; R181-N245 CarbonylContact O-C 3.54Å; R181-N245 WeakPolarHBondContact O-CA 3.12Å; N245-I292 HydrophobicContact CB-CD1 4.03Å; N245-I292 HydrophobicContact CB-CG1 4.48Å; N245-R293 WeakPolarHBondContact CB-O 3.37Å; N245-R293 PolarHBondContact ND2-O 3.15Å; N245-S294 VanDerWaalsContact C-OG 3.3Å; N245-S294 WeakPolarHBondContact O-CB 3.35Å; N245-S294 PolarHBondContact O-OG 3.39Å |
| 246 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 96.1 | -178.5 | -168 | 0 | 0 | 0 | 0 | 109.2 | T180 R181 S182 N183 L222 A230 F231 L297 W302 | T180-V246 HydrophobicContact CG2-CG2 4.26Å; R181-V246 PolarHBondContact O-N 3.34Å; S182-V246 WeakPolarHBondContact CA-O 3.47Å; N183-V246 PolarHBondContact N-O 2.9Å; L222-V246 HydrophobicContact CD2-CB 4.48Å; L222-V246 HydrophobicContact CD2-CG1 3.69Å; A230-V246 HydrophobicContact CB-CB 4.44Å; A230-V246 HydrophobicContact CB-CG1 3.3Å; A230-V246 HydrophobicContact CB-CG2 4.27Å; F231-V246 HydrophobicContact CE1-CG2 4.26Å; V246-L297 HydrophobicContact CB-CD2 4.21Å; V246-L297 HydrophobicContact CG1-CD2 4.01Å; V246-L297 HydrophobicContact CG2-CD2 3.98Å; V246-W302 HydrophobicContact CG1-CH2 4.41Å; V246-W302 HydrophobicContact CG1-CZ2 4.22Å |
| 247 | G | 95.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | trans | -157.2 | 170.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N183 S294 W302 | N183-G247 WeakPolarHBondContact OD1-CA 3.11Å; G247-S294 PolarHBondContact N-OG 3.2Å; G247-W302 WeakPolarHBondContact O-CH2 3.44Å; G247-W302 WeakPolarHBondContact O-CZ3 3.33Å | ||
| 248 | T | 91.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 14% | 0.135 | 19% | 0.185 | C | C | . | . | trans | -125.4 | 162.6 | 172.9 | 79.6 | 0 | 0 | 0 | 0 | 109.2 | N183 H220 F221 L222 V250 A304 | N183-T248 PolarHBondContact OD1-N 3.36Å; N183-T248 VanDerWaalsContact OD1-N 3.09Å; N183-T248 PolarHBondContact OD1-O 3.32Å; H220-T248 PolarHBondContact CD2-O 3.29Å; F221-T248 PolarHBondContact O-OG1 3.14Å; L222-T248 HydrophobicContact CD1-CG2 3.67Å; T248-V250 PolarHBondContact O-N 3.15Å; T248-V250 VanDerWaalsContact OG1-CB 3.27Å; T248-V250 WeakPolarHBondContact OG1-CB 3.39Å; T248-V250 WeakPolarHBondContact OG1-CG2 3.43Å; T248-V250 PolarHBondContact OG1-N 3.38Å; T248-V250 VanDerWaalsContact OG1-N 3.08Å; T248-A304 HydrophobicContact CG2-CB 3.75Å | ||
| 249 | S | 88.1 | Confident | 95.4 | Very high | 114 Ų | 114 | 32.9 Ų | 32.9 | 80% | 0.797 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -80.9 | 7.4 | 169.6 | 55 | 0 | 0 | 0 | 0 | 113.1 | E251 | S249-E251 PolarHBondContact O-N 3.36Š|
| 250 | V | 89.7 | Confident | 95.3 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | trans | -77.4 | 92.6 | -178.8 | -180 | 0 | 0 | 0 | 0 | 109.2 | H220 F221 T248 I252 W308 | H220-V250 VanDerWaalsContact CA-O 3.24Å; H220-V250 WeakPolarHBondContact CA-O 3.32Å; F221-V250 PolarHBondContact N-O 3.4Å; T248-V250 PolarHBondContact O-N 3.15Å; T248-V250 VanDerWaalsContact OG1-CB 3.27Å; T248-V250 WeakPolarHBondContact OG1-CB 3.39Å; T248-V250 WeakPolarHBondContact OG1-CG2 3.43Å; T248-V250 PolarHBondContact OG1-N 3.38Å; T248-V250 VanDerWaalsContact OG1-N 3.08Å; V250-I252 HydrophobicContact CG1-CD1 3.99Å; V250-I252 HydrophobicContact CG1-CG1 4.03Å; V250-W308 HydrophobicContact CG1-CB 3.75Å; V250-W308 HydrophobicContact CG1-CD2 4.34Å; V250-W308 HydrophobicContact CG1-CE3 4.31Å; V250-W308 HydrophobicContact CG1-CG 4.13Å | ||
| 251 | E | 92.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 28.9 Ų | 28.9 | 25% | 0.252 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.7 | 173.9 | -174.5 | 170.1 | -160.3 | 0 | 0 | 111.4 | S218 R219 S249 R289 | S218-E251 WeakPolarHBondContact CB-OE1 3.19Å; R219-E251 WeakPolarHBondContact O-CA 3.08Å; S249-E251 PolarHBondContact O-N 3.36Å; E251-R289 IonicContact OE1-CZ 3.31Å; E251-R289 IonicContact OE1-NE 3.09Å; E251-R289 PolarHBondContact OE1-NE 2.92Å; E251-R289 IonicContact OE1-NH2 3.44Å; E251-R289 PolarHBondContact OE1-NH2 3.39Å; E251-R289 IonicContact OE2-CZ 3.23Å; E251-R289 IonicContact OE2-NE 3.5Å; E251-R289 PolarHBondContact OE2-NE 3.48Å; E251-R289 IonicContact OE2-NH2 3.12Å; E251-R289 PolarHBondContact OE2-NH2 3.3Å |
| 252 | I | 94.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 6% | 0.056 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.4 | 179.4 | -51.8 | -66.4 | 0 | 0 | 0 | 109.6 | S218 R219 F221 V250 Q256 L257 W308 | S218-I252 WeakPolarHBondContact CA-O 3.38Å; R219-I252 PolarHBondContact N-O 3.38Å; R219-I252 VanDerWaalsContact N-O 3.1Å; R219-I252 PolarHBondContact O-N 3.05Å; F221-I252 HydrophobicContact CD2-CB 3.84Å; F221-I252 HydrophobicContact CD2-CG1 3.92Å; F221-I252 HydrophobicContact CE2-CB 3.85Å; F221-I252 HydrophobicContact CE2-CG1 4.42Å; V250-I252 HydrophobicContact CG1-CD1 3.99Å; V250-I252 HydrophobicContact CG1-CG1 4.03Å; I252-Q256 HydrophobicContact CG2-CB 4.39Å; I252-Q256 HydrophobicContact CG2-CG 4.45Å; I252-L257 HydrophobicContact CG2-CB 3.97Å; I252-W308 HydrophobicContact CB-CZ2 4.48Å; I252-W308 HydrophobicContact CD1-CD2 4.01Å; I252-W308 HydrophobicContact CD1-CG 4.07Å; I252-W308 HydrophobicContact CD1-CZ2 4.47Å; I252-W308 HydrophobicContact CG1-CD2 3.88Å; I252-W308 HydrophobicContact CG1-CE3 4.12Å; I252-W308 HydrophobicContact CG1-CG 4.45Å; I252-W308 HydrophobicContact CG1-CH2 4.2Å; I252-W308 HydrophobicContact CG1-CZ2 3.96Å; I252-W308 HydrophobicContact CG1-CZ3 4.29Å; I252-W308 HydrophobicContact CG2-CZ2 4.12Å |
| 253 | P | 93.8 | Very high | 95.1 | Very high | 44 Ų | 44 | 29.7 Ų | 29.7 | 29% | 0.286 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 137.1 | 167.6 | -23 | 33.3 | 0 | 0 | 0 | 111.3 | M217 S218 V255 Q256 L257 | M217-P253 WeakPolarHBondContact O-CA 3.48Å; S218-P253 WeakPolarHBondContact OG-CA 3.27Å; P253-V255 PolarHBondContact O-N 2.86Å; P253-Q256 HydrophobicContact CB-CB 4.1Å; P253-Q256 HydrophobicContact CG-CB 4.34Å; P253-Q256 WeakPolarHBondContact O-CA 3.32Å; P253-Q256 WeakPolarHBondContact O-CB 3.43Å; P253-Q256 PolarHBondContact O-N 3.15Å; P253-L257 PolarHBondContact O-N 2.9Å |
| 254 | I | 93.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.7 | -32.5 | -178.2 | -61.4 | -54.2 | 0 | 0 | 0 | 112.1 | V195 F199 I211 M217 R219 F221 L257 A258 | V195-I254 HydrophobicContact CG1-CD1 4.43Å; V195-I254 HydrophobicContact CG2-CD1 4.34Å; V195-I254 HydrophobicContact CG2-CG2 4.09Å; F199-I254 HydrophobicContact CE2-CG2 4.08Å; F199-I254 HydrophobicContact CZ-CG2 4.11Å; I211-I254 HydrophobicContact CG2-CG2 4.4Å; M217-I254 HydrophobicContact CB-CG1 4.01Å; M217-I254 PolarHBondContact O-N 3.39Å; R219-I254 HydrophobicContact CG-CD1 4.22Å; F221-I254 HydrophobicContact CZ-CD1 4.42Å; I254-L257 HydrophobicContact CD1-CD2 4.42Å; I254-L257 WeakPolarHBondContact O-CB 3.32Å; I254-L257 PolarHBondContact O-N 3.14Å; I254-A258 PolarHBondContact O-N 3.11Å |
| 255 | V | 93.6 | Very high | 94.7 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 33% | 0.333 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.1 | -44.8 | 173.3 | 179.1 | 0 | 0 | 0 | 0 | 111 | I211 P253 L257 A258 R259 F279 | I211-V255 HydrophobicContact CD1-CB 4.31Å; I211-V255 HydrophobicContact CD1-CG2 3.91Å; I211-V255 HydrophobicContact CG2-CG2 4.36Å; P253-V255 PolarHBondContact O-N 2.86Å; V255-L257 VanDerWaalsContact C-N 3.34Å; V255-L257 PolarHBondContact O-N 2.87Å; V255-A258 PolarHBondContact O-N 3.48Å; V255-R259 VanDerWaalsContact O-CG 3.32Å; V255-R259 WeakPolarHBondContact O-CG 3.16Å; V255-R259 PolarHBondContact O-N 3.29Å; V255-R259 VanDerWaalsContact O-N 3.08Å; V255-F279 HydrophobicContact CG2-CE1 4.2Å; V255-F279 HydrophobicContact CG2-CZ 4.35Å |
| 256 | Q | 94.9 | Very high | 94.5 | Very high | 80 Ų | 80 | 36 Ų | 36 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 176.3 | 179 | -178.6 | -21.3 | 0 | 0 | 110.7 | I252 P253 A258 R259 E260 | I252-Q256 HydrophobicContact CG2-CB 4.39Å; I252-Q256 HydrophobicContact CG2-CG 4.45Å; P253-Q256 HydrophobicContact CB-CB 4.1Å; P253-Q256 HydrophobicContact CG-CB 4.34Å; P253-Q256 WeakPolarHBondContact O-CA 3.32Å; P253-Q256 WeakPolarHBondContact O-CB 3.43Å; P253-Q256 PolarHBondContact O-N 3.15Å; Q256-A258 VanDerWaalsContact C-N 3.35Å; Q256-A258 PolarHBondContact O-N 2.91Å; Q256-R259 PolarHBondContact O-N 2.96Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.48Å; Q256-E260 PolarHBondContact NE2-OE1 3.48Å; Q256-E260 WeakPolarHBondContact O-CG 3.2Å; Q256-E260 PolarHBondContact O-N 3.37Å |
| 257 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.1 | -50.1 | 174.7 | 170.6 | 62.2 | 0 | 0 | 0 | 111.6 | V195 I196 F199 F221 I252 P253 I254 V255 R259 E260 L261 W308 I312 | V195-L257 HydrophobicContact CG1-CD2 3.99Å; V195-L257 HydrophobicContact CG2-CD2 4.12Å; I196-L257 HydrophobicContact CG1-CD1 3.99Å; I196-L257 HydrophobicContact CG1-CD2 3.71Å; I196-L257 HydrophobicContact CG1-CG 4.43Å; F199-L257 HydrophobicContact CD2-CG 4.48Å; F221-L257 HydrophobicContact CZ-CD2 4.03Å; I252-L257 HydrophobicContact CG2-CB 3.97Å; P253-L257 PolarHBondContact O-N 2.9Å; I254-L257 HydrophobicContact CD1-CD2 4.42Å; I254-L257 WeakPolarHBondContact O-CB 3.32Å; I254-L257 PolarHBondContact O-N 3.14Å; V255-L257 VanDerWaalsContact C-N 3.34Å; V255-L257 PolarHBondContact O-N 2.87Å; L257-R259 VanDerWaalsContact C-N 3.32Å; L257-R259 PolarHBondContact O-N 2.68Å; L257-E260 PolarHBondContact O-N 2.66Å; L257-L261 HydrophobicContact CD1-CD1 3.96Å; L257-L261 HydrophobicContact CD1-CD2 4.39Å; L257-L261 HydrophobicContact CD1-CG 3.93Å; L257-L261 HydrophobicContact CG-CD1 4.26Å; L257-L261 WeakPolarHBondContact O-CG 3.32Å; L257-L261 PolarHBondContact O-N 3.15Å; L257-W308 HydrophobicContact CD1-CH2 3.83Å; L257-W308 HydrophobicContact CD1-CZ2 3.76Å; L257-I312 HydrophobicContact CD1-CD1 4.26Å |
| 258 | A | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F199 C209 I211 I254 V255 Q256 E260 L261 V262 I277 | F199-A258 HydrophobicContact CD2-CB 4.11Å; F199-A258 HydrophobicContact CE2-CB 3.75Å; F199-A258 HydrophobicContact CZ-CB 4.36Å; C209-A258 HydrophobicContact CB-CB 4.19Å; I211-A258 HydrophobicContact CD1-CB 3.88Å; I254-A258 PolarHBondContact O-N 3.11Å; V255-A258 PolarHBondContact O-N 3.48Å; Q256-A258 VanDerWaalsContact C-N 3.35Å; Q256-A258 PolarHBondContact O-N 2.91Å; A258-E260 PolarHBondContact O-N 3.32Å; A258-L261 PolarHBondContact O-N 3.47Å; A258-V262 VanDerWaalsContact O-CG2 3.23Å; A258-V262 WeakPolarHBondContact O-CG2 3.26Å; A258-V262 PolarHBondContact O-N 3.09Å; A258-I277 HydrophobicContact CB-CD1 4.19Å; A258-I277 HydrophobicContact CB-CG1 4.4Å |
| 259 | R | 95.9 | Very high | 94 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 19% | 0.192 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 177.3 | -64.1 | 176.4 | 79.6 | 74.1 | 0.9 | 112.1 | V255 Q256 L257 V262 R263 E270 V273 N274 I277 | V255-R259 VanDerWaalsContact O-CG 3.32Å; V255-R259 WeakPolarHBondContact O-CG 3.16Å; V255-R259 PolarHBondContact O-N 3.29Å; V255-R259 VanDerWaalsContact O-N 3.08Å; Q256-R259 PolarHBondContact O-N 2.96Å; L257-R259 VanDerWaalsContact C-N 3.32Å; L257-R259 PolarHBondContact O-N 2.68Å; R259-V262 PolarHBondContact O-N 3.16Å; R259-R263 WeakPolarHBondContact O-CG 3.31Å; R259-R263 PolarHBondContact O-N 3.17Å; R259-R263 VanDerWaalsContact O-N 3.08Å; R259-E270 IonicContact CZ-OE1 3.39Å; R259-E270 IonicContact NE-OE1 2.67Å; R259-E270 IonicContact NH2-OE1 2.91Å; R259-E270 PolarHBondContact NH2-OE1 2.85Å; R259-V273 HydrophobicContact CB-CG1 3.86Å; R259-V273 HydrophobicContact CG-CG1 3.74Å; R259-N274 PolarHBondContact NH1-OD1 3.23Å; R259-I277 HydrophobicContact CG-CD1 3.69Å |
| 260 | E | 96.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 177.7 | -73.7 | -179.5 | -155.1 | 0 | 0 | 111.5 | Q256 L257 A258 V262 R263 M264 W308 | Q256-E260 WeakPolarHBondContact CG-OE1 3.48Å; Q256-E260 PolarHBondContact NE2-OE1 3.48Å; Q256-E260 WeakPolarHBondContact O-CG 3.2Å; Q256-E260 PolarHBondContact O-N 3.37Å; L257-E260 PolarHBondContact O-N 2.66Å; A258-E260 PolarHBondContact O-N 3.32Å; E260-V262 PolarHBondContact O-N 3.05Å; E260-R263 PolarHBondContact O-N 3.35Å; E260-M264 VanDerWaalsContact O-CG 3.31Å; E260-M264 WeakPolarHBondContact O-CG 3.15Å; E260-M264 PolarHBondContact O-N 3.42Å; E260-W308 PolarHBondContact OE2-NE1 2.78Å |
| 261 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -39 | 178.2 | -64.3 | -174.5 | 0 | 0 | 0 | 112.6 | I196 F199 L200 L203 L257 A258 R263 M264 V265 I312 V316 | I196-L261 HydrophobicContact CG2-CD1 4.33Å; F199-L261 HydrophobicContact CB-CD1 3.67Å; F199-L261 HydrophobicContact CD2-CD1 4.12Å; F199-L261 HydrophobicContact CG-CD1 4.43Å; L200-L261 HydrophobicContact CD2-CB 4.49Å; L200-L261 HydrophobicContact CD2-CD1 4.25Å; L200-L261 HydrophobicContact CD2-CD2 3.97Å; L200-L261 HydrophobicContact CD2-CG 4.46Å; L200-L261 HydrophobicContact CG-CD1 4.34Å; L203-L261 HydrophobicContact CD1-CB 4.1Å; L257-L261 HydrophobicContact CD1-CD1 3.96Å; L257-L261 HydrophobicContact CD1-CD2 4.39Å; L257-L261 HydrophobicContact CD1-CG 3.93Å; L257-L261 HydrophobicContact CG-CD1 4.26Å; L257-L261 WeakPolarHBondContact O-CG 3.32Å; L257-L261 PolarHBondContact O-N 3.15Å; A258-L261 PolarHBondContact O-N 3.47Å; L261-R263 PolarHBondContact O-N 3.12Å; L261-M264 PolarHBondContact O-N 3.23Å; L261-V265 WeakPolarHBondContact O-CB 3.3Å; L261-V265 WeakPolarHBondContact O-CG2 2.94Å; L261-V265 PolarHBondContact O-N 2.86Å; L261-I312 HydrophobicContact CD2-CD1 3.92Å; L261-I312 HydrophobicContact CD2-CG1 3.9Å; L261-V316 HydrophobicContact CD2-CG2 3.73Å |
| 262 | V | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -48.6 | 174.7 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | L203 A258 R259 E260 M264 V265 K266 V268 V273 W276 | L203-V262 HydrophobicContact CD1-CG2 4.15Å; L203-V262 HydrophobicContact CD2-CG2 3.85Å; A258-V262 VanDerWaalsContact O-CG2 3.23Å; A258-V262 WeakPolarHBondContact O-CG2 3.26Å; A258-V262 PolarHBondContact O-N 3.09Å; R259-V262 PolarHBondContact O-N 3.16Å; E260-V262 PolarHBondContact O-N 3.05Å; V262-M264 VanDerWaalsContact C-N 3.34Å; V262-M264 PolarHBondContact O-N 2.71Å; V262-V265 PolarHBondContact O-N 2.64Å; V262-K266 HydrophobicContact CG1-CB 4.48Å; V262-K266 WeakPolarHBondContact O-CA 3.23Å; V262-K266 VanDerWaalsContact O-CB 3.29Å; V262-K266 WeakPolarHBondContact O-CB 3.38Å; V262-K266 PolarHBondContact O-N 2.72Å; V262-V268 HydrophobicContact CG1-CG2 3.69Å; V262-V273 HydrophobicContact CB-CG1 4.27Å; V262-V273 HydrophobicContact CG1-CB 4.31Å; V262-V273 HydrophobicContact CG1-CG1 4.13Å; V262-V273 HydrophobicContact CG1-CG2 4.16Å; V262-W276 HydrophobicContact CB-CB 4.45Å; V262-W276 HydrophobicContact CG1-CB 3.8Å; V262-W276 HydrophobicContact CG1-CG 3.95Å; V262-W276 HydrophobicContact CG2-CB 3.68Å |
| 263 | R | 95.4 | Very high | 93.9 | Very high | 87 Ų | 87 | 49.5 Ų | 49.5 | 33% | 0.328 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 177.8 | -67.1 | -176.3 | -154.4 | 108.9 | -5.8 | 111.7 | R259 E260 L261 N267 E270 V273 | R259-R263 WeakPolarHBondContact O-CG 3.31Å; R259-R263 PolarHBondContact O-N 3.17Å; R259-R263 VanDerWaalsContact O-N 3.08Å; E260-R263 PolarHBondContact O-N 3.35Å; L261-R263 PolarHBondContact O-N 3.12Å; R263-N267 WeakPolarHBondContact O-CA 3.42Å; R263-N267 PolarHBondContact O-N 3.18Å; R263-N267 VanDerWaalsContact O-N 3.1Å; R263-E270 IonicContact CZ-OE1 2.78Å; R263-E270 IonicContact CZ-OE2 3.65Å; R263-E270 IonicContact NE-OE2 3.5Å; R263-E270 PolarHBondContact NE-OE2 3.09Å; R263-E270 IonicContact NH2-OE1 2.72Å; R263-E270 PolarHBondContact NH2-OE1 3.15Å; R263-E270 IonicContact NH2-OE2 3.31Å; R263-E270 PolarHBondContact NH2-OE2 3.34Å; R263-V273 HydrophobicContact CG-CG2 3.8Å |
| 264 | M | 95 | Very high | 93.9 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | -178.4 | -68.6 | 176 | -173.9 | 0 | 0 | 113.5 | E260 L261 V262 I312 V316 | E260-M264 VanDerWaalsContact O-CG 3.31Å; E260-M264 WeakPolarHBondContact O-CG 3.15Å; E260-M264 PolarHBondContact O-N 3.42Å; L261-M264 PolarHBondContact O-N 3.23Å; V262-M264 VanDerWaalsContact C-N 3.34Å; V262-M264 PolarHBondContact O-N 2.71Å; M264-I312 HydrophobicContact CE-CG2 3.82Å; M264-I312 HydrophobicContact SD-CG2 4.31Å; M264-V316 HydrophobicContact CB-CG1 4.31Å; M264-V316 HydrophobicContact CB-CG2 4.42Å; M264-V316 HydrophobicContact SD-CG2 3.88Å |
| 265 | V | 95.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -96 | -37.2 | -174.2 | 178.4 | 0 | 0 | 0 | 0 | 112.6 | L200 L203 L261 V262 V316 | L200-V265 HydrophobicContact CD2-CG2 3.69Å; L203-V265 HydrophobicContact CB-CB 4.23Å; L203-V265 HydrophobicContact CB-CG1 3.76Å; L203-V265 HydrophobicContact CD1-CB 4.15Å; L203-V265 HydrophobicContact CD1-CG2 4.28Å; L261-V265 WeakPolarHBondContact O-CB 3.3Å; L261-V265 WeakPolarHBondContact O-CG2 2.94Å; L261-V265 PolarHBondContact O-N 2.86Å; V262-V265 PolarHBondContact O-N 2.64Å; V265-V316 HydrophobicContact CG2-CG1 4.21Å |
| 266 | K | 94.7 | Very high | 94.1 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -96.7 | -17.1 | -176.1 | -62 | -65.5 | 176.8 | -176 | 0 | 113.9 | L203 N206 V262 V268 W276 | L203-K266 HydrophobicContact CD2-CG 4.19Å; L203-K266 WeakPolarHBondContact O-CE 3.38Å; L203-K266 PolarHBondContact O-NZ 3.08Å; N206-K266 PolarHBondContact OD1-NZ 3.39Å; V262-K266 HydrophobicContact CG1-CB 4.48Å; V262-K266 WeakPolarHBondContact O-CA 3.23Å; V262-K266 VanDerWaalsContact O-CB 3.29Å; V262-K266 WeakPolarHBondContact O-CB 3.38Å; V262-K266 PolarHBondContact O-N 2.72Å; K266-V268 HydrophobicContact CB-CB 4.48Å; K266-V268 HydrophobicContact CB-CG1 3.76Å; K266-V268 HydrophobicContact CB-CG2 4.09Å; K266-V268 PolarHBondContact O-N 3.29Å; K266-W276 HydrophobicContact CD-CD2 4.24Å; K266-W276 HydrophobicContact CD-CE3 4.26Å; K266-W276 HydrophobicContact CD-CH2 3.72Å; K266-W276 HydrophobicContact CD-CZ2 3.66Å; K266-W276 HydrophobicContact CD-CZ3 4.03Å; K266-W276 HydrophobicContact CG-CD2 3.94Å; K266-W276 HydrophobicContact CG-CE3 4.28Å; K266-W276 HydrophobicContact CG-CG 4.42Å; K266-W276 HydrophobicContact CG-CH2 4.46Å; K266-W276 HydrophobicContact CG-CZ2 4.11Å |
| 267 | N | 90.6 | Very high | 94.1 | Very high | 151 Ų | 151 | 53 Ų | 53 | 81% | 0.807 | 27% | 0.271 | S | S | * | . | trans | 52.7 | 42.4 | -178 | -165.6 | 44 | 0 | 0 | 0 | 112.4 | R263 | R263-N267 WeakPolarHBondContact O-CA 3.42Å; R263-N267 PolarHBondContact O-N 3.18Å; R263-N267 VanDerWaalsContact O-N 3.1Å | ||
| 268 | V | 92.2 | Very high | 94 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 20% | 0.2 | 29% | 0.293 | C | S | . | . | trans | -99.9 | 159.1 | -177.9 | -67 | 0 | 0 | 0 | 0 | 111.7 | V262 K266 E272 V273 | V262-V268 HydrophobicContact CG1-CG2 3.69Å; K266-V268 HydrophobicContact CB-CB 4.48Å; K266-V268 HydrophobicContact CB-CG1 3.76Å; K266-V268 HydrophobicContact CB-CG2 4.09Å; K266-V268 PolarHBondContact O-N 3.29Å; V268-E272 HydrophobicContact CB-CB 3.87Å; V268-E272 HydrophobicContact CG1-CB 4.43Å; V268-E272 HydrophobicContact CG2-CB 4.32Å; V268-V273 HydrophobicContact CG2-CG2 4.14Å | ||
| 269 | T | 90.2 | Very high | 93.8 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | trans | -70.7 | 162.6 | 175.4 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | S271 E272 V273 | T269-S271 PolarHBondContact O-N 2.56Å; T269-S271 PolarHBondContact OG1-OG 3.05Å; T269-E272 WeakPolarHBondContact CB-OE2 3.15Å; T269-E272 PolarHBondContact N-OE2 2.98Å; T269-E272 PolarHBondContact O-N 2.78Å; T269-E272 VanDerWaalsContact OG1-CD 3.25Å; T269-E272 WeakPolarHBondContact OG1-CG 3.44Å; T269-E272 PolarHBondContact OG1-OE2 3.04Å; T269-V273 WeakPolarHBondContact O-CG2 3.32Å; T269-V273 PolarHBondContact O-N 3.26Å | ||
| 270 | E | 87.3 | Confident | 93.4 | Very high | 95 Ų | 95 | 62.8 Ų | 62.8 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.7 | 179.5 | -169.1 | 65.1 | -174.1 | 0 | 0 | 113.1 | R259 R263 E272 | R259-E270 IonicContact CZ-OE1 3.39Å; R259-E270 IonicContact NE-OE1 2.67Å; R259-E270 IonicContact NH2-OE1 2.91Å; R259-E270 PolarHBondContact NH2-OE1 2.85Å; R263-E270 IonicContact CZ-OE1 2.78Å; R263-E270 IonicContact CZ-OE2 3.65Å; R263-E270 IonicContact NE-OE2 3.5Å; R263-E270 PolarHBondContact NE-OE2 3.09Å; R263-E270 IonicContact NH2-OE1 2.72Å; R263-E270 PolarHBondContact NH2-OE1 3.15Å; R263-E270 IonicContact NH2-OE2 3.31Å; R263-E270 PolarHBondContact NH2-OE2 3.34Å; E270-E272 VanDerWaalsContact C-N 3.31Å; E270-E272 PolarHBondContact O-N 2.72Å |
| 271 | S | 89.4 | Confident | 92.7 | Very high | 95 Ų | 95 | 66.5 Ų | 66.5 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.6 | 176.3 | 36.8 | 0 | 0 | 0 | 0 | 113.2 | T269 | T269-S271 PolarHBondContact O-N 2.56Å; T269-S271 PolarHBondContact OG1-OG 3.05Å |
| 272 | E | 93.1 | Very high | 91.4 | Very high | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -14.7 | -176 | -67.4 | 166 | 135.8 | 0 | 0 | 112.5 | V268 T269 E270 N274 D275 | V268-E272 HydrophobicContact CB-CB 3.87Å; V268-E272 HydrophobicContact CG1-CB 4.43Å; V268-E272 HydrophobicContact CG2-CB 4.32Å; T269-E272 WeakPolarHBondContact CB-OE2 3.15Å; T269-E272 PolarHBondContact N-OE2 2.98Å; T269-E272 PolarHBondContact O-N 2.78Å; T269-E272 VanDerWaalsContact OG1-CD 3.25Å; T269-E272 WeakPolarHBondContact OG1-CG 3.44Å; T269-E272 PolarHBondContact OG1-OE2 3.04Å; E270-E272 VanDerWaalsContact C-N 3.31Å; E270-E272 PolarHBondContact O-N 2.72Å; E272-N274 PolarHBondContact O-N 3.5Å; E272-D275 WeakPolarHBondContact O-CB 3.34Å; E272-D275 PolarHBondContact O-N 2.91Å |
| 273 | V | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -56.1 | -38 | -179.6 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | R259 V262 R263 V268 T269 D275 W276 I277 | R259-V273 HydrophobicContact CB-CG1 3.86Å; R259-V273 HydrophobicContact CG-CG1 3.74Å; V262-V273 HydrophobicContact CB-CG1 4.27Å; V262-V273 HydrophobicContact CG1-CB 4.31Å; V262-V273 HydrophobicContact CG1-CG1 4.13Å; V262-V273 HydrophobicContact CG1-CG2 4.16Å; R263-V273 HydrophobicContact CG-CG2 3.8Å; V268-V273 HydrophobicContact CG2-CG2 4.14Å; T269-V273 WeakPolarHBondContact O-CG2 3.32Å; T269-V273 PolarHBondContact O-N 3.26Å; V273-D275 PolarHBondContact O-N 3.33Å; V273-W276 PolarHBondContact O-N 3.08Å; V273-I277 HydrophobicContact CG1-CD1 4.14Å |
| 274 | N | 92.8 | Very high | 88.2 | Confident | 93 Ų | 93 | 76 Ų | 76 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -65.9 | -25.4 | -178.4 | -68.6 | -25 | 0 | 0 | 0 | 112.7 | R259 E272 W276 I277 | R259-N274 PolarHBondContact NH1-OD1 3.23Å; E272-N274 PolarHBondContact O-N 3.5Å; N274-W276 PolarHBondContact O-N 3.5Å; N274-I277 PolarHBondContact O-N 3.39Å |
| 275 | D | 95.1 | Very high | 86.9 | Confident | 102 Ų | 102 | 77.8 Ų | 77.8 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -68 | -21.8 | 178.9 | -62.1 | -27.8 | 0 | 0 | 0 | 112 | K208 E272 V273 | K208-D275 VanDerWaalsContact CD-O 3.3Å; K208-D275 WeakPolarHBondContact CD-O 3.44Å; K208-D275 WeakPolarHBondContact CE-O 3.37Å; K208-D275 PolarHBondContact NZ-O 3.34Å; E272-D275 WeakPolarHBondContact O-CB 3.34Å; E272-D275 PolarHBondContact O-N 2.91Å; V273-D275 PolarHBondContact O-N 3.33Å |
| 276 | W | 96.8 | Very high | 85.7 | Confident | 54 Ų | 54 | 77.9 Ų | 77.9 | 21% | 0.205 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -96.3 | 4.6 | 179.7 | -66 | 93 | 0 | 0 | 0 | 114.1 | L203 K208 C209 V262 K266 V273 N274 | L203-W276 HydrophobicContact CD2-CB 4.35Å; L203-W276 HydrophobicContact CD2-CD2 4.42Å; L203-W276 HydrophobicContact CD2-CE3 3.94Å; K208-W276 CarbonylContact C-O 3.56Å; K208-W276 VanDerWaalsContact CA-O 3.29Å; K208-W276 WeakPolarHBondContact CA-O 3.41Å; K208-W276 WeakPolarHBondContact CB-O 3.34Å; C209-W276 PolarHBondContact N-O 3.07Å; V262-W276 HydrophobicContact CB-CB 4.45Å; V262-W276 HydrophobicContact CG1-CB 3.8Å; V262-W276 HydrophobicContact CG1-CG 3.95Å; V262-W276 HydrophobicContact CG2-CB 3.68Å; K266-W276 HydrophobicContact CD-CD2 4.24Å; K266-W276 HydrophobicContact CD-CE3 4.26Å; K266-W276 HydrophobicContact CD-CH2 3.72Å; K266-W276 HydrophobicContact CD-CZ2 3.66Å; K266-W276 HydrophobicContact CD-CZ3 4.03Å; K266-W276 HydrophobicContact CG-CD2 3.94Å; K266-W276 HydrophobicContact CG-CE3 4.28Å; K266-W276 HydrophobicContact CG-CG 4.42Å; K266-W276 HydrophobicContact CG-CH2 4.46Å; K266-W276 HydrophobicContact CG-CZ2 4.11Å; V273-W276 PolarHBondContact O-N 3.08Å; N274-W276 PolarHBondContact O-N 3.5Å |
| 277 | I | 95 | Very high | 84.9 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 10% | 0.097 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 136.1 | 179.6 | -61.9 | 175.7 | 0 | 0 | 0 | 109.2 | I211 A258 R259 V273 N274 F279 | I211-I277 HydrophobicContact CD1-CG2 3.59Å; I211-I277 HydrophobicContact CG1-CG2 4.17Å; A258-I277 HydrophobicContact CB-CD1 4.19Å; A258-I277 HydrophobicContact CB-CG1 4.4Å; R259-I277 HydrophobicContact CG-CD1 3.69Å; V273-I277 HydrophobicContact CG1-CD1 4.14Å; N274-I277 PolarHBondContact O-N 3.39Å; I277-F279 HydrophobicContact CG2-CE2 4.37Å |
| 278 | E | 94.2 | Very high | 84.4 | Confident | 98 Ų | 98 | 71.6 Ų | 71.6 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.8 | 176.7 | -178.7 | 176.5 | -166.1 | 0 | 0 | 109.9 | K208 C209 T210 I211 V280 | K208-E278 HydrophobicContact CB-CB 4.12Å; K208-E278 HydrophobicContact CD-CB 4.11Å; C209-E278 PolarHBondContact O-N 2.99Å; T210-E278 CarbonylContact C-O 3.47Å; T210-E278 WeakPolarHBondContact CA-O 3.23Å; I211-E278 PolarHBondContact N-O 3.48Å; E278-V280 HydrophobicContact CG-CG1 4.42Å |
| 279 | F | 91.3 | Very high | 84.1 | Confident | 109 Ų | 109 | 73.5 Ų | 73.5 | 48% | 0.478 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.9 | 173.8 | -67.8 | -80.1 | 0 | 0 | 0 | 110 | I211 G213 V255 I277 | I211-F279 HydrophobicContact CB-CD1 3.93Å; I211-F279 HydrophobicContact CB-CE1 4.04Å; I211-F279 HydrophobicContact CD1-CE1 4.33Å; I211-F279 HydrophobicContact CG2-CD1 4.06Å; I211-F279 HydrophobicContact CG2-CE1 3.92Å; I211-F279 CarbonylContact O-C 3.44Å; I211-F279 WeakPolarHBondContact O-CA 3.48Å; G213-F279 VanDerWaalsContact O-CD1 3.26Å; G213-F279 WeakPolarHBondContact O-CD1 3.42Å; V255-F279 HydrophobicContact CG2-CE1 4.2Å; V255-F279 HydrophobicContact CG2-CZ 4.35Å; I277-F279 HydrophobicContact CG2-CE2 4.37Å |
| 280 | V | 88.5 | Confident | 83.9 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 30% | 0.303 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 166.6 | 178 | -59 | 0 | 0 | 0 | 0 | 110.4 | T210 I211 Q212 G213 E278 S282 | T210-V280 HydrophobicContact CG2-CG1 3.98Å; I211-V280 WeakPolarHBondContact O-CG2 3.42Å; I211-V280 PolarHBondContact O-N 3.05Å; Q212-V280 HydrophobicContact CG-CG2 3.88Å; G213-V280 PolarHBondContact N-O 2.52Å; E278-V280 HydrophobicContact CG-CG1 4.42Å; V280-S282 PolarHBondContact O-N 3.47Å |
| 281 | S | 81.5 | Confident | 84.1 | Confident | 109 Ų | 109 | 66.3 Ų | 66.3 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 140.8 | -179.5 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 282 | S | 70 | Confident | 84.3 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 155.1 | 176.9 | -169.6 | 0 | 0 | 0 | 0 | 111 | V280 | V280-S282 PolarHBondContact O-N 3.47Š|
| 283 | R | 67.7 | Low | 84.4 | Confident | 78 Ų | 78 | 63.3 Ų | 63.3 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 159.4 | 166.3 | -60.2 | -175.4 | -168.9 | 145.2 | 7.1 | 110.5 | E92 Q212 Q285 V286 | E92-R283 VanDerWaalsContact CD-NE 3.34Å; E92-R283 IonicContact OE1-CZ 3.54Å; E92-R283 IonicContact OE1-NE 3.23Å; E92-R283 PolarHBondContact OE1-NE 3.24Å; E92-R283 IonicContact OE1-NH2 2.86Å; E92-R283 PolarHBondContact OE1-NH2 3.28Å; E92-R283 IonicContact OE2-NH2 3.81Å; Q212-R283 VanDerWaalsContact NE2-NH2 3.19Å; Q212-R283 VanDerWaalsContact OE1-NH2 3.11Å; R283-Q285 PolarHBondContact O-N 3.29Å; R283-V286 HydrophobicContact CB-CG2 4Å |
| 284 | P | 58.3 | Low | 84.5 | Confident | 144 Ų | 144 | 63.6 Ų | 63.6 | 94% | 0.935 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -58.9 | -30.8 | -179.8 | -23.3 | 32.5 | 0 | 0 | 0 | 114 | ||
| 285 | Q | 66.6 | Low | 84.7 | Confident | 110 Ų | 110 | 63.1 Ų | 63.1 | 51% | 0.514 | 33% | 0.325 | S | S | . | . | trans | -140.3 | 124.9 | 178.4 | -167.6 | 171 | 3.3 | 0 | 0 | 109.7 | R283 | R283-Q285 PolarHBondContact O-N 3.29Š| ||
| 286 | V | 69.6 | Low | 84.9 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | trans | -134.4 | 113.1 | -177.7 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | M217 R283 L288 | M217-V286 HydrophobicContact CG-CG1 3.59Å; M217-V286 HydrophobicContact SD-CG1 3.19Å; M217-V286 WeakPolarHBondContact SD-CG1 3.48Å; R283-V286 HydrophobicContact CB-CG2 4Å; V286-L288 PolarHBondContact O-N 2.92Å | ||
| 287 | D | 79.4 | Confident | 84.9 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | trans | -70.8 | 130.6 | 171.8 | -68.7 | -25.8 | 0 | 0 | 0 | 110 | T152 R219 Y290 | T152-D287 PolarHBondContact OG1-OD1 3.17Å; T152-D287 PolarHBondContact OG1-OD2 2.54Å; R219-D287 PolarHBondContact NH1-O 3.36Å; R219-D287 PolarHBondContact NH2-O 3Å; D287-Y290 HydrophobicContact CB-CE1 3.88Å; D287-Y290 HydrophobicContact CB-CE2 4.12Å; D287-Y290 VanDerWaalsContact CB-CZ 3.45Å; D287-Y290 WeakPolarHBondContact CB-OH 3.27Å; D287-Y290 VanDerWaalsContact CG-OH 3.25Å; D287-Y290 WeakPolarHBondContact OD2-CE1 3.48Å; D287-Y290 VanDerWaalsContact OD2-CZ 3.28Å; D287-Y290 PolarHBondContact OD2-OH 3.09Å | ||
| 288 | L | 78.9 | Confident | 85 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | trans | -78.9 | -45.1 | -172 | -62.9 | 175.6 | 0 | 0 | 0 | 110.9 | T137 L139 L215 S218 R219 V286 | T137-L288 PolarHBondContact OG1-N 3.32Å; L139-L288 HydrophobicContact CD2-CB 4.08Å; L139-L288 HydrophobicContact CD2-CD1 3.86Å; L215-L288 HydrophobicContact CB-CD2 4.03Å; L215-L288 HydrophobicContact CD1-CD2 4.28Å; S218-L288 PolarHBondContact N-O 3.04Å; R219-L288 PolarHBondContact NH1-O 3.1Å; R219-L288 VanDerWaalsContact NH1-O 3.1Å; V286-L288 PolarHBondContact O-N 2.92Å | ||
| 289 | R | 86.3 | Confident | 85.2 | Confident | 72 Ų | 72 | 66.3 Ų | 66.3 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | trans | -151.1 | 151.7 | -173.4 | -56.5 | 172.6 | 71.4 | -161.6 | 1 | 111.5 | T137 S138 L139 E251 | T137-R289 WeakPolarHBondContact CA-O 3.41Å; T137-R289 PolarHBondContact OG1-N 2.98Å; T137-R289 PolarHBondContact OG1-O 3.41Å; S138-R289 PolarHBondContact N-O 3.28Å; S138-R289 WeakPolarHBondContact O-CB 3.31Å; L139-R289 PolarHBondContact O-NH1 2.92Å; E251-R289 IonicContact OE1-CZ 3.31Å; E251-R289 IonicContact OE1-NE 3.09Å; E251-R289 PolarHBondContact OE1-NE 2.92Å; E251-R289 IonicContact OE1-NH2 3.44Å; E251-R289 PolarHBondContact OE1-NH2 3.39Å; E251-R289 IonicContact OE2-CZ 3.23Å; E251-R289 IonicContact OE2-NE 3.5Å; E251-R289 PolarHBondContact OE2-NE 3.48Å; E251-R289 IonicContact OE2-NH2 3.12Å; E251-R289 PolarHBondContact OE2-NH2 3.3Å | ||
| 290 | Y | 86 | Confident | 85.5 | Confident | 8 Ų | 8 | 63 Ų | 63 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | trans | -129.6 | 77.5 | 171.1 | -56.3 | -75.7 | 0 | 0 | 0 | 110.3 | D132 E133 G136 H220 D287 | D132-Y290 WeakPolarHBondContact OD2-CB 3.49Å; E133-Y290 HydrophobicContact CB-CE1 4.24Å; E133-Y290 HydrophobicContact CG-CD2 4.46Å; E133-Y290 HydrophobicContact CG-CE1 4.06Å; E133-Y290 HydrophobicContact CG-CE2 3.94Å; G136-Y290 VanDerWaalsContact O-CD1 3.31Å; G136-Y290 WeakPolarHBondContact O-CD1 3.44Å; H220-Y290 PolarHBondContact ND1-O 3.42Å; D287-Y290 HydrophobicContact CB-CE1 3.88Å; D287-Y290 HydrophobicContact CB-CE2 4.12Å; D287-Y290 VanDerWaalsContact CB-CZ 3.45Å; D287-Y290 WeakPolarHBondContact CB-OH 3.27Å; D287-Y290 VanDerWaalsContact CG-OH 3.25Å; D287-Y290 WeakPolarHBondContact OD2-CE1 3.48Å; D287-Y290 VanDerWaalsContact OD2-CZ 3.28Å; D287-Y290 PolarHBondContact OD2-OH 3.09Å | ||
| 291 | P | 90.9 | Very high | 86 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 8% | 0.078 | 33% | 0.332 | C | S | . | . | trans | -77.9 | 126.9 | 177.3 | 31.6 | -35.2 | 0 | 0 | 0 | 111 | E141 A142 F143 | E141-P291 WeakPolarHBondContact O-CG 3.38Å; A142-P291 HydrophobicContact CB-CB 3.97Å; F143-P291 PolarHBondContact N-O 3.23Å | ||
| 292 | I | 94.6 | Very high | 86.8 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -125.7 | 155.5 | 172.8 | 73.3 | -178.6 | 0 | 0 | 0 | 111.6 | D132 Y135 F143 N183 N245 | D132-I292 HydrophobicContact CB-CD1 4.26Å; D132-I292 HydrophobicContact CB-CG2 3.56Å; Y135-I292 HydrophobicContact CD2-CG2 3.93Å; Y135-I292 HydrophobicContact CE2-CG2 3.97Å; F143-I292 CarbonylContact O-C 3.55Å; F143-I292 VanDerWaalsContact O-CA 3.29Å; F143-I292 WeakPolarHBondContact O-CA 3.48Å; N183-I292 WeakPolarHBondContact ND2-CD1 3.49Å; N183-I292 WeakPolarHBondContact ND2-CG1 3.15Å; N245-I292 HydrophobicContact CB-CD1 4.03Å; N245-I292 HydrophobicContact CB-CG1 4.48Å |
| 293 | R | 95.5 | Very high | 88 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | trans | -107.9 | 127.6 | 176.7 | -93.3 | -170.9 | -67.1 | 144.2 | 7.2 | 109.2 | A142 F143 D144 N245 E295 | A142-R293 HydrophobicContact CB-CG 3.9Å; A142-R293 PolarHBondContact O-NE 2.82Å; A142-R293 PolarHBondContact O-NH2 2.87Å; A142-R293 VanDerWaalsContact O-NH2 3.11Å; F143-R293 PolarHBondContact O-N 3.38Å; D144-R293 HydrophobicContact CB-CB 4.34Å; D144-R293 IonicContact OD2-CZ 2.7Å; D144-R293 IonicContact OD2-NH1 3.93Å; D144-R293 PolarHBondContact OD2-NH1 2.76Å; D144-R293 IonicContact OD2-NH2 3.38Å; D144-R293 PolarHBondContact OD2-NH2 3.48Å; N245-R293 WeakPolarHBondContact CB-O 3.37Å; N245-R293 PolarHBondContact ND2-O 3.15Å; R293-E295 WeakPolarHBondContact CA-OE2 3.32Å; R293-E295 WeakPolarHBondContact CB-OE2 3.22Å; R293-E295 WeakPolarHBondContact CG-OE1 3.26Å | ||
| 294 | S | 96.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | trans | -117.7 | 17.7 | -172.6 | -74.9 | 0 | 0 | 0 | 0 | 113.6 | N245 G247 K296 L297 Q298 | N245-S294 VanDerWaalsContact C-OG 3.3Å; N245-S294 WeakPolarHBondContact O-CB 3.35Å; N245-S294 PolarHBondContact O-OG 3.39Å; G247-S294 PolarHBondContact N-OG 3.2Å; S294-K296 PolarHBondContact O-N 3.13Å; S294-L297 PolarHBondContact O-N 3.01Å; S294-L297 VanDerWaalsContact O-N 3.14Å; S294-Q298 WeakPolarHBondContact O-CG 3.49Å; S294-Q298 PolarHBondContact O-N 2.92Å | ||
| 295 | E | 96.9 | Very high | 91.2 | Very high | 83 Ų | 83 | 63.6 Ų | 63.6 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.5 | -29.2 | -176.2 | -62.8 | 83.2 | 171.1 | 0 | 0 | 112.3 | R293 Q298 R299 | R293-E295 WeakPolarHBondContact CA-OE2 3.32Å; R293-E295 WeakPolarHBondContact CB-OE2 3.22Å; R293-E295 WeakPolarHBondContact CG-OE1 3.26Å; E295-Q298 PolarHBondContact O-N 2.85Å; E295-R299 WeakPolarHBondContact O-CG 3.38Å; E295-R299 PolarHBondContact O-N 2.93Å; E295-R299 PolarHBondContact O-NE 3.14Å |
| 296 | K | 98.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 176 | -171.8 | -177.1 | 179.3 | 178.8 | 0 | 111.6 | E145 D242 V243 Y244 S294 R299 | E145-K296 HydrophobicContact CG-CD 4.42Å; E145-K296 WeakPolarHBondContact OE1-CB 3.35Å; D242-K296 IonicContact OD1-NZ 2.71Å; D242-K296 WeakPolarHBondContact OD2-CE 3.5Å; D242-K296 IonicContact OD2-NZ 3.76Å; D242-K296 PolarHBondContact OD2-NZ 3.39Å; V243-K296 WeakPolarHBondContact O-CD 3.42Å; V243-K296 WeakPolarHBondContact O-CE 3.23Å; V243-K296 PolarHBondContact O-NZ 3.3Å; Y244-K296 HydrophobicContact CD1-CD 4.05Å; Y244-K296 HydrophobicContact CD1-CG 3.99Å; Y244-K296 HydrophobicContact CE1-CD 3.99Å; Y244-K296 HydrophobicContact CE1-CG 3.83Å; S294-K296 PolarHBondContact O-N 3.13Å; K296-R299 PolarHBondContact O-N 3.25Å |
| 297 | L | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -38.9 | 175.6 | 179.9 | 62 | 0 | 0 | 0 | 111.4 | A230 L233 V234 Y244 V246 S294 R299 L300 W302 | A230-L297 HydrophobicContact CB-CD2 3.99Å; L233-L297 HydrophobicContact CD2-CD1 4.38Å; V234-L297 HydrophobicContact CG2-CD1 3.5Å; Y244-L297 HydrophobicContact CD1-CB 4.27Å; Y244-L297 HydrophobicContact CD1-CD1 4.35Å; V246-L297 HydrophobicContact CB-CD2 4.21Å; V246-L297 HydrophobicContact CG1-CD2 4.01Å; V246-L297 HydrophobicContact CG2-CD2 3.98Å; S294-L297 PolarHBondContact O-N 3.01Å; S294-L297 VanDerWaalsContact O-N 3.14Å; L297-R299 VanDerWaalsContact C-N 3.25Å; L297-R299 PolarHBondContact O-N 2.67Å; L297-L300 HydrophobicContact CD1-CD1 4.41Å; L297-L300 WeakPolarHBondContact O-CB 3.23Å; L297-L300 PolarHBondContact O-N 2.59Å; L297-W302 HydrophobicContact CD1-CB 4.03Å; L297-W302 HydrophobicContact CD1-CG 4.4Å; L297-W302 HydrophobicContact CD2-CB 4.2Å; L297-W302 HydrophobicContact CD2-CD2 3.61Å; L297-W302 HydrophobicContact CD2-CE3 3.6Å; L297-W302 HydrophobicContact CD2-CG 3.89Å; L297-W302 HydrophobicContact CD2-CZ3 4.19Å; L297-W302 HydrophobicContact CG-CB 3.65Å; L297-W302 HydrophobicContact CG-CD2 4.04Å; L297-W302 HydrophobicContact CG-CE3 4.03Å; L297-W302 HydrophobicContact CG-CG 3.9Å |
| 298 | Q | 97.5 | Very high | 94.8 | Very high | 93 Ų | 93 | 62 Ų | 62 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.4 | -33.3 | 176.1 | -68 | 171.1 | 11.1 | 0 | 0 | 112.8 | S294 E295 L300 G301 W302 | S294-Q298 WeakPolarHBondContact O-CG 3.49Å; S294-Q298 PolarHBondContact O-N 2.92Å; E295-Q298 PolarHBondContact O-N 2.85Å; Q298-L300 PolarHBondContact O-N 3.49Å; Q298-G301 WeakPolarHBondContact O-CA 3.49Å; Q298-G301 PolarHBondContact O-N 2.86Å; Q298-W302 WeakPolarHBondContact CA-O 3.37Å |
| 299 | R | 97.9 | Very high | 95.6 | Very high | 203 Ų | 203 | 62 Ų | 62 | 77% | 0.766 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.7 | 172.6 | -80.8 | -179.1 | -94.9 | 172.4 | -9.6 | 113.7 | E295 K296 L297 | E295-R299 WeakPolarHBondContact O-CG 3.38Å; E295-R299 PolarHBondContact O-N 2.93Å; E295-R299 PolarHBondContact O-NE 3.14Å; K296-R299 PolarHBondContact O-N 3.25Å; L297-R299 VanDerWaalsContact C-N 3.25Å; L297-R299 PolarHBondContact O-N 2.67Å |
| 300 | L | 97.9 | Very high | 96.2 | Very high | 39 Ų | 39 | 61.8 Ų | 61.8 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -3.8 | 170.7 | -59.4 | -176.6 | 0 | 0 | 0 | 113.3 | L233 K237 Y244 L297 Q298 | L233-L300 HydrophobicContact CD2-CB 3.95Å; K237-L300 HydrophobicContact CB-CD1 4.48Å; K237-L300 HydrophobicContact CB-CD2 4.46Å; Y244-L300 HydrophobicContact CD1-CD1 4.17Å; Y244-L300 HydrophobicContact CE1-CD1 3.48Å; Y244-L300 VanDerWaalsContact CE1-CD1 3.48Å; Y244-L300 HydrophobicContact CE1-CG 4.2Å; L297-L300 HydrophobicContact CD1-CD1 4.41Å; L297-L300 WeakPolarHBondContact O-CB 3.23Å; L297-L300 PolarHBondContact O-N 2.59Å; Q298-L300 PolarHBondContact O-N 3.49Å |
| 301 | G | 97.5 | Very high | 96.7 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | 5.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q298 | Q298-G301 WeakPolarHBondContact O-CA 3.49Å; Q298-G301 PolarHBondContact O-N 2.86Å |
| 302 | W | 98.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 4% | 0.038 | 30% | 0.303 | C | S | . | . | trans | -74.9 | 139.4 | 176.7 | -172 | 75.1 | 0 | 0 | 0 | 111.9 | L222 D226 A230 L233 V246 G247 L297 Q298 A304 | L222-W302 HydrophobicContact CD1-CH2 3.94Å; L222-W302 HydrophobicContact CD1-CZ2 3.99Å; D226-W302 HydrophobicContact CB-CZ2 4.18Å; D226-W302 PolarHBondContact O-NE1 3.16Å; D226-W302 VanDerWaalsContact O-NE1 3.14Å; A230-W302 HydrophobicContact CB-CD2 4.37Å; A230-W302 HydrophobicContact CB-CG 4.39Å; A230-W302 HydrophobicContact CB-CZ2 4.23Å; L233-W302 HydrophobicContact CD2-CB 3.48Å; L233-W302 VanDerWaalsContact CD2-CB 3.48Å; L233-W302 HydrophobicContact CD2-CG 4.33Å; V246-W302 HydrophobicContact CG1-CH2 4.41Å; V246-W302 HydrophobicContact CG1-CZ2 4.22Å; G247-W302 WeakPolarHBondContact O-CH2 3.44Å; G247-W302 WeakPolarHBondContact O-CZ3 3.33Å; L297-W302 HydrophobicContact CD1-CB 4.03Å; L297-W302 HydrophobicContact CD1-CG 4.4Å; L297-W302 HydrophobicContact CD2-CB 4.2Å; L297-W302 HydrophobicContact CD2-CD2 3.61Å; L297-W302 HydrophobicContact CD2-CE3 3.6Å; L297-W302 HydrophobicContact CD2-CG 3.89Å; L297-W302 HydrophobicContact CD2-CZ3 4.19Å; L297-W302 HydrophobicContact CG-CB 3.65Å; L297-W302 HydrophobicContact CG-CD2 4.04Å; L297-W302 HydrophobicContact CG-CE3 4.03Å; L297-W302 HydrophobicContact CG-CG 3.9Å; Q298-W302 WeakPolarHBondContact CA-O 3.37Å; W302-A304 HydrophobicContact CH2-CB 4.06Å; W302-A304 HydrophobicContact CZ2-CB 4.28Å | ||
| 303 | R | 96.2 | Very high | 97.2 | Very high | 199 Ų | 199 | 65.9 Ų | 65.9 | 75% | 0.751 | 32% | 0.321 | S | S | * | . | trans | -145.2 | 144.4 | 164 | -63.7 | -174.8 | 177.4 | -178.3 | -1.6 | 107.8 | E305 | R303-E305 PolarHBondContact O-N 3.28Š| ||
| 304 | A | 95.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 65 Ų | 65 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | trans | -65.2 | 125.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | D226 T248 W302 | D226-A304 HydrophobicContact CB-CB 4.24Å; T248-A304 HydrophobicContact CG2-CB 3.75Å; W302-A304 HydrophobicContact CH2-CB 4.06Å; W302-A304 HydrophobicContact CZ2-CB 4.28Å | ||
| 305 | E | 96.3 | Very high | 97.5 | Very high | 148 Ų | 148 | 64.8 Ų | 64.8 | 69% | 0.692 | 32% | 0.319 | S | S | * | . | trans | -90.8 | -25.6 | 179.8 | -61.6 | -176.4 | 151.9 | 0 | 0 | 110.7 | D226 Q229 R303 | D226-E305 PolarHBondContact OD1-N 3.13Å; Q229-E305 PolarHBondContact NE2-OE2 2.86Å; R303-E305 PolarHBondContact O-N 3.28Å | ||
| 306 | T | 97.7 | Very high | 97.5 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -91.5 | 116.5 | -176.1 | -45.4 | 0 | 0 | 0 | 0 | 111.4 | F223 D226 E310 | F223-T306 HydrophobicContact CB-CG2 4.06Å; F223-T306 HydrophobicContact CD1-CG2 3.59Å; F223-T306 WeakPolarHBondContact CD1-OG1 3.29Å; F223-T306 HydrophobicContact CE1-CG2 4.15Å; F223-T306 HydrophobicContact CG-CG2 3.85Å; D226-T306 PolarHBondContact OD1-N 3.3Å; D226-T306 PolarHBondContact OD1-OG1 3.15Å; D226-T306 WeakPolarHBondContact OD2-CB 3.34Å; D226-T306 PolarHBondContact OD2-N 2.85Å; D226-T306 PolarHBondContact OD2-OG1 3.13Å; T306-E310 HydrophobicContact CG2-CB 4.2Å; T306-E310 HydrophobicContact CG2-CG 4.22Å |
| 307 | S | 97 | Very high | 97.5 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 47% | 0.469 | 32% | 0.317 | S | S | . | . | trans | -67.1 | 153.6 | 169.9 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | A309 E310 G311 | S307-A309 VanDerWaalsContact C-N 3.28Å; S307-A309 PolarHBondContact O-N 3Å; S307-E310 PolarHBondContact O-N 2.82Å; S307-E310 VanDerWaalsContact O-N 3.11Å; S307-E310 WeakPolarHBondContact OG-CB 3.48Å; S307-E310 PolarHBondContact OG-N 3.31Å; S307-G311 PolarHBondContact O-N 2.95Å | ||
| 308 | W | 96.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -47.9 | -51.9 | 173.9 | 173.9 | -112.9 | 0 | 0 | 0 | 112.4 | Y186 I196 F221 V250 I252 L257 E260 E310 G311 I312 | Y186-W308 HydrophobicContact CD1-CZ3 4.31Å; Y186-W308 HydrophobicContact CE1-CE3 4.01Å; Y186-W308 AromaticContact CE1-CZ3 3.81Å; Y186-W308 HydrophobicContact CE1-CZ3 3.81Å; Y186-W308 HydrophobicContact CE2-CE3 4.44Å; Y186-W308 HydrophobicContact CE2-CZ3 4.02Å; Y186-W308 AromaticContact CZ-CE3 3.72Å; Y186-W308 AromaticContact CZ-CZ3 3.63Å; Y186-W308 PolarHBondContact OH-O 3.2Å; I196-W308 HydrophobicContact CD1-CH2 4.25Å; F221-W308 HydrophobicContact CB-CE3 3.92Å; F221-W308 HydrophobicContact CB-CZ3 3.51Å; F221-W308 HydrophobicContact CD1-CH2 4.5Å; F221-W308 HydrophobicContact CD1-CZ3 4.1Å; F221-W308 HydrophobicContact CD2-CH2 4.04Å; F221-W308 AromaticContact CD2-CZ3 3.8Å; F221-W308 HydrophobicContact CD2-CZ3 3.8Å; F221-W308 HydrophobicContact CE2-CH2 4.38Å; F221-W308 HydrophobicContact CG-CE3 4.37Å; F221-W308 HydrophobicContact CG-CH2 4.11Å; F221-W308 AromaticContact CG-CZ3 3.53Å; F221-W308 HydrophobicContact CG-CZ3 3.53Å; V250-W308 HydrophobicContact CG1-CB 3.75Å; V250-W308 HydrophobicContact CG1-CD2 4.34Å; V250-W308 HydrophobicContact CG1-CE3 4.31Å; V250-W308 HydrophobicContact CG1-CG 4.13Å; I252-W308 HydrophobicContact CB-CZ2 4.48Å; I252-W308 HydrophobicContact CD1-CD2 4.01Å; I252-W308 HydrophobicContact CD1-CG 4.07Å; I252-W308 HydrophobicContact CD1-CZ2 4.47Å; I252-W308 HydrophobicContact CG1-CD2 3.88Å; I252-W308 HydrophobicContact CG1-CE3 4.12Å; I252-W308 HydrophobicContact CG1-CG 4.45Å; I252-W308 HydrophobicContact CG1-CH2 4.2Å; I252-W308 HydrophobicContact CG1-CZ2 3.96Å; I252-W308 HydrophobicContact CG1-CZ3 4.29Å; I252-W308 HydrophobicContact CG2-CZ2 4.12Å; L257-W308 HydrophobicContact CD1-CH2 3.83Å; L257-W308 HydrophobicContact CD1-CZ2 3.76Å; E260-W308 PolarHBondContact OE2-NE1 2.78Å; W308-E310 VanDerWaalsContact C-N 3.26Å; W308-E310 PolarHBondContact O-N 3.31Å; W308-G311 PolarHBondContact O-N 3.19Å; W308-I312 HydrophobicContact CH2-CB 4.49Å; W308-I312 HydrophobicContact CH2-CD1 3.88Å; W308-I312 HydrophobicContact CH2-CG1 4.27Å; W308-I312 HydrophobicContact CZ2-CB 4.22Å; W308-I312 HydrophobicContact CZ2-CD1 4.11Å; W308-I312 HydrophobicContact CZ2-CG1 4.01Å; W308-I312 WeakPolarHBondContact O-CB 3.2Å; W308-I312 VanDerWaalsContact O-CG2 3.31Å; W308-I312 WeakPolarHBondContact O-CG2 3.45Å; W308-I312 PolarHBondContact O-N 3.39Å |
| 309 | A | 97 | Very high | 97.4 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S307 R313 | S307-A309 VanDerWaalsContact C-N 3.28Å; S307-A309 PolarHBondContact O-N 3Å; A309-R313 VanDerWaalsContact O-CG 3.28Å; A309-R313 WeakPolarHBondContact O-CG 3.38Å; A309-R313 PolarHBondContact O-N 3.48Å; A309-R313 PolarHBondContact O-NE 3.01Å; A309-R313 PolarHBondContact O-NH1 3.37Å |
| 310 | E | 97.8 | Very high | 97.2 | Very high | 68 Ų | 68 | 57 Ų | 57 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.8 | -51.3 | 176.5 | -177.9 | 54.7 | -156.5 | 0 | 0 | 111.9 | T306 S307 W308 I312 R313 Q314 | T306-E310 HydrophobicContact CG2-CB 4.2Å; T306-E310 HydrophobicContact CG2-CG 4.22Å; S307-E310 PolarHBondContact O-N 2.82Å; S307-E310 VanDerWaalsContact O-N 3.11Å; S307-E310 WeakPolarHBondContact OG-CB 3.48Å; S307-E310 PolarHBondContact OG-N 3.31Å; W308-E310 VanDerWaalsContact C-N 3.26Å; W308-E310 PolarHBondContact O-N 3.31Å; E310-I312 VanDerWaalsContact C-N 3.31Å; E310-I312 PolarHBondContact O-N 3.42Å; E310-R313 PolarHBondContact O-N 3.47Å; E310-R313 IonicContact OE2-CZ 3.18Å; E310-R313 IonicContact OE2-NE 3.85Å; E310-R313 PolarHBondContact OE2-NE 2.68Å; E310-R313 IonicContact OE2-NH2 3.58Å; E310-R313 PolarHBondContact OE2-NH2 3.23Å; E310-Q314 WeakPolarHBondContact O-CG 3Å; E310-Q314 PolarHBondContact O-N 2.95Å; E310-Q314 WeakPolarHBondContact OE1-CG 3.44Å; E310-Q314 PolarHBondContact OE1-NE2 3.2Å |
| 311 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.2 | -38.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F223 S307 W308 Q314 T315 | F223-G311 WeakPolarHBondContact CE2-O 3.29Å; S307-G311 PolarHBondContact O-N 2.95Å; W308-G311 PolarHBondContact O-N 3.19Å; G311-Q314 PolarHBondContact O-N 2.93Å; G311-T315 WeakPolarHBondContact O-CB 3.48Å; G311-T315 PolarHBondContact O-N 3.35Å; G311-T315 PolarHBondContact O-OG1 3.29Å |
| 312 | I | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 179 | -160.5 | 61 | 0 | 0 | 0 | 111.7 | Y186 I196 L257 L261 M264 W308 E310 T315 V316 | Y186-I312 HydrophobicContact CD2-CD1 4.39Å; Y186-I312 HydrophobicContact CE2-CB 4.39Å; Y186-I312 HydrophobicContact CE2-CD1 4.17Å; I196-I312 HydrophobicContact CD1-CD1 4.04Å; I196-I312 HydrophobicContact CG1-CD1 4.38Å; I196-I312 HydrophobicContact CG2-CD1 4Å; L257-I312 HydrophobicContact CD1-CD1 4.26Å; L261-I312 HydrophobicContact CD2-CD1 3.92Å; L261-I312 HydrophobicContact CD2-CG1 3.9Å; M264-I312 HydrophobicContact CE-CG2 3.82Å; M264-I312 HydrophobicContact SD-CG2 4.31Å; W308-I312 HydrophobicContact CH2-CB 4.49Å; W308-I312 HydrophobicContact CH2-CD1 3.88Å; W308-I312 HydrophobicContact CH2-CG1 4.27Å; W308-I312 HydrophobicContact CZ2-CB 4.22Å; W308-I312 HydrophobicContact CZ2-CD1 4.11Å; W308-I312 HydrophobicContact CZ2-CG1 4.01Å; W308-I312 WeakPolarHBondContact O-CB 3.2Å; W308-I312 VanDerWaalsContact O-CG2 3.31Å; W308-I312 WeakPolarHBondContact O-CG2 3.45Å; W308-I312 PolarHBondContact O-N 3.39Å; E310-I312 VanDerWaalsContact C-N 3.31Å; E310-I312 PolarHBondContact O-N 3.42Å; I312-T315 WeakPolarHBondContact O-CB 3.23Å; I312-T315 PolarHBondContact O-N 2.94Å; I312-V316 WeakPolarHBondContact O-CG2 3.29Å; I312-V316 PolarHBondContact O-N 2.88Å |
| 313 | R | 98 | Very high | 96.6 | Very high | 125 Ų | 125 | 62 Ų | 62 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 173.4 | -79 | -172.2 | -58.9 | -100.2 | 3.1 | 111.8 | A309 E310 T315 V316 K317 | A309-R313 VanDerWaalsContact O-CG 3.28Å; A309-R313 WeakPolarHBondContact O-CG 3.38Å; A309-R313 PolarHBondContact O-N 3.48Å; A309-R313 PolarHBondContact O-NE 3.01Å; A309-R313 PolarHBondContact O-NH1 3.37Å; E310-R313 PolarHBondContact O-N 3.47Å; E310-R313 IonicContact OE2-CZ 3.18Å; E310-R313 IonicContact OE2-NE 3.85Å; E310-R313 PolarHBondContact OE2-NE 2.68Å; E310-R313 IonicContact OE2-NH2 3.58Å; E310-R313 PolarHBondContact OE2-NH2 3.23Å; R313-T315 VanDerWaalsContact C-N 3.26Å; R313-T315 PolarHBondContact O-N 2.89Å; R313-V316 PolarHBondContact O-N 3.31Å; R313-K317 WeakPolarHBondContact O-CB 3.3Å; R313-K317 PolarHBondContact O-N 2.82Å |
| 314 | Q | 98.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 57 Ų | 57 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.8 | -41 | 176.2 | -69.3 | -175.6 | 21 | 0 | 0 | 111.4 | F223 E310 G311 W318 | F223-Q314 HydrophobicContact CZ-CB 4.24Å; F223-Q314 VanDerWaalsContact CZ-OE1 3.32Å; E310-Q314 WeakPolarHBondContact O-CG 3Å; E310-Q314 PolarHBondContact O-N 2.95Å; E310-Q314 WeakPolarHBondContact OE1-CG 3.44Å; E310-Q314 PolarHBondContact OE1-NE2 3.2Å; G311-Q314 PolarHBondContact O-N 2.93Å; Q314-W318 WeakPolarHBondContact O-CB 3.49Å; Q314-W318 PolarHBondContact O-N 3.07Å |
| 315 | T | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -54.4 | 176.4 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | G187 I196 L200 G311 I312 R313 K317 W318 Y319 | G187-T315 WeakPolarHBondContact CA-OG1 3.35Å; I196-T315 HydrophobicContact CG2-CG2 3.91Å; L200-T315 HydrophobicContact CD1-CG2 4.4Å; G311-T315 WeakPolarHBondContact O-CB 3.48Å; G311-T315 PolarHBondContact O-N 3.35Å; G311-T315 PolarHBondContact O-OG1 3.29Å; I312-T315 WeakPolarHBondContact O-CB 3.23Å; I312-T315 PolarHBondContact O-N 2.94Å; R313-T315 VanDerWaalsContact C-N 3.26Å; R313-T315 PolarHBondContact O-N 2.89Å; T315-K317 VanDerWaalsContact C-N 3.33Å; T315-K317 PolarHBondContact O-N 3.49Å; T315-W318 PolarHBondContact O-N 2.71Å; T315-W318 VanDerWaalsContact O-N 3.14Å; T315-Y319 HydrophobicContact CG2-CD2 4.02Å; T315-Y319 HydrophobicContact CG2-CE2 3.78Å; T315-Y319 VanDerWaalsContact O-CD2 3.25Å; T315-Y319 WeakPolarHBondContact O-CD2 3.44Å; T315-Y319 PolarHBondContact O-N 2.86Å; T315-Y319 VanDerWaalsContact O-N 3.15Å |
| 316 | V | 97.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.6 | -49.9 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L200 L261 M264 V265 I312 R313 W318 Y319 Q320 | L200-V316 HydrophobicContact CD2-CG1 4.49Å; L200-V316 HydrophobicContact CD2-CG2 3.91Å; L261-V316 HydrophobicContact CD2-CG2 3.73Å; M264-V316 HydrophobicContact CB-CG1 4.31Å; M264-V316 HydrophobicContact CB-CG2 4.42Å; M264-V316 HydrophobicContact SD-CG2 3.88Å; V265-V316 HydrophobicContact CG2-CG1 4.21Å; I312-V316 WeakPolarHBondContact O-CG2 3.29Å; I312-V316 PolarHBondContact O-N 2.88Å; R313-V316 PolarHBondContact O-N 3.31Å; V316-W318 VanDerWaalsContact C-N 3.31Å; V316-W318 PolarHBondContact O-N 3.49Å; V316-Y319 PolarHBondContact O-N 3.23Å; V316-Q320 HydrophobicContact CG1-CG 4.4Å; V316-Q320 WeakPolarHBondContact O-CG 3.08Å; V316-Q320 PolarHBondContact O-N 2.83Å |
| 317 | K | 97.4 | Very high | 94.4 | Very high | 117 Ų | 117 | 50.9 Ų | 50.9 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 178.7 | 176 | 166.2 | 175.1 | 47.3 | 0 | 111.4 | R313 T315 Y319 Q320 D321 | R313-K317 WeakPolarHBondContact O-CB 3.3Å; R313-K317 PolarHBondContact O-N 2.82Å; T315-K317 VanDerWaalsContact C-N 3.33Å; T315-K317 PolarHBondContact O-N 3.49Å; K317-Y319 PolarHBondContact O-N 3.25Å; K317-Q320 WeakPolarHBondContact O-CB 3.5Å; K317-Q320 PolarHBondContact O-N 3.29Å; K317-Q320 VanDerWaalsContact O-N 3.13Å; K317-D321 WeakPolarHBondContact CE-OD2 3.47Å; K317-D321 WeakPolarHBondContact CG-OD2 3.4Å; K317-D321 IonicContact NZ-OD1 2.84Å; K317-D321 PolarHBondContact NZ-OD1 2.88Å; K317-D321 IonicContact NZ-OD2 3.51Å; K317-D321 PolarHBondContact NZ-OD2 3.11Å; K317-D321 WeakPolarHBondContact O-CB 2.97Å; K317-D321 VanDerWaalsContact O-CG 3.27Å; K317-D321 PolarHBondContact O-N 3.46Å |
| 318 | W | 97.6 | Very high | 92.5 | Very high | 43 Ų | 43 | 52.9 Ų | 52.9 | 16% | 0.163 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 179.4 | -173.7 | 89.8 | 0 | 0 | 0 | 112.4 | P188 R189 Q314 T315 V316 Q320 D321 N322 F325 | P188-W318 HydrophobicContact CB-CB 4.08Å; P188-W318 HydrophobicContact CB-CD2 3.7Å; P188-W318 HydrophobicContact CB-CE3 4.37Å; P188-W318 HydrophobicContact CB-CG 3.52Å; P188-W318 HydrophobicContact CG-CB 3.95Å; P188-W318 HydrophobicContact CG-CG 3.92Å; R189-W318 HydrophobicContact CB-CH2 4.31Å; R189-W318 HydrophobicContact CB-CZ2 4.31Å; R189-W318 HydrophobicContact CG-CH2 3.98Å; R189-W318 HydrophobicContact CG-CZ2 3.51Å; R189-W318 VanDerWaalsContact N-CZ3 3.34Å; Q314-W318 WeakPolarHBondContact O-CB 3.49Å; Q314-W318 PolarHBondContact O-N 3.07Å; T315-W318 PolarHBondContact O-N 2.71Å; T315-W318 VanDerWaalsContact O-N 3.14Å; V316-W318 VanDerWaalsContact C-N 3.31Å; V316-W318 PolarHBondContact O-N 3.49Å; W318-Q320 VanDerWaalsContact C-N 3.32Å; W318-Q320 PolarHBondContact O-N 3.28Å; W318-D321 PolarHBondContact O-N 3.08Å; W318-N322 HydrophobicContact CD2-CB 4.41Å; W318-N322 HydrophobicContact CH2-CB 4.32Å; W318-N322 HydrophobicContact CZ2-CB 4.2Å; W318-N322 HydrophobicContact CZ3-CB 4.47Å; W318-N322 PolarHBondContact NE1-ND2 3.06Å; W318-N322 VanDerWaalsContact O-CB 3.27Å; W318-N322 WeakPolarHBondContact O-CB 3.5Å; W318-N322 PolarHBondContact O-N 2.84Å; W318-N322 PolarHBondContact O-ND2 2.95Å; W318-F325 HydrophobicContact CH2-CB 3.9Å; W318-F325 AromaticContact CH2-CD1 3.68Å; W318-F325 HydrophobicContact CH2-CD1 3.68Å; W318-F325 AromaticContact CH2-CD2 3.7Å; W318-F325 HydrophobicContact CH2-CD2 3.7Å; W318-F325 HydrophobicContact CH2-CE1 4.08Å; W318-F325 HydrophobicContact CH2-CE2 4.1Å; W318-F325 AromaticContact CH2-CG 3.47Å; W318-F325 HydrophobicContact CH2-CG 3.47Å; W318-F325 VanDerWaalsContact CH2-CG 3.47Å; W318-F325 HydrophobicContact CH2-CZ 4.26Å; W318-F325 HydrophobicContact CZ2-CD1 4.41Å; W318-F325 AromaticContact CZ2-CD2 3.69Å; W318-F325 HydrophobicContact CZ2-CD2 3.69Å; W318-F325 AromaticContact CZ2-CE2 3.86Å; W318-F325 HydrophobicContact CZ2-CE2 3.86Å; W318-F325 AromaticContact CZ2-CG 3.98Å; W318-F325 HydrophobicContact CZ2-CG 3.98Å; W318-F325 HydrophobicContact CZ2-CZ 4.28Å |
| 319 | Y | 96.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.6 | -28.2 | 176.1 | -77.6 | -86.1 | 0 | 0 | 0 | 113.3 | Q190 P197 L200 Q204 T315 V316 K317 | Q190-Y319 VanDerWaalsContact C-OH 3.27Å; Q190-Y319 WeakPolarHBondContact CA-OH 3.45Å; Q190-Y319 WeakPolarHBondContact CB-OH 3.28Å; Q190-Y319 PolarHBondContact N-OH 2.86Å; Q190-Y319 PolarHBondContact O-OH 2.88Å; P197-Y319 HydrophobicContact CB-CE1 3.63Å; P197-Y319 HydrophobicContact CB-CE2 4.12Å; P197-Y319 VanDerWaalsContact CB-CZ 3.43Å; P197-Y319 WeakPolarHBondContact CB-OH 3.5Å; L200-Y319 HydrophobicContact CB-CG 4.49Å; L200-Y319 HydrophobicContact CD1-CD2 3.36Å; L200-Y319 HydrophobicContact CD1-CE2 4.06Å; L200-Y319 HydrophobicContact CD1-CG 3.73Å; Q204-Y319 PolarHBondContact NE2-O 2.97Å; T315-Y319 HydrophobicContact CG2-CD2 4.02Å; T315-Y319 HydrophobicContact CG2-CE2 3.78Å; T315-Y319 VanDerWaalsContact O-CD2 3.25Å; T315-Y319 WeakPolarHBondContact O-CD2 3.44Å; T315-Y319 PolarHBondContact O-N 2.86Å; T315-Y319 VanDerWaalsContact O-N 3.15Å; V316-Y319 PolarHBondContact O-N 3.23Å; K317-Y319 PolarHBondContact O-N 3.25Å |
| 320 | Q | 94 | Very high | 88 | Confident | 89 Ų | 89 | 52.8 Ų | 52.8 | 42% | 0.416 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.9 | -40.3 | 173.4 | -72.4 | 173.3 | -28.1 | 0 | 0 | 111.7 | V316 K317 W318 N322 | V316-Q320 HydrophobicContact CG1-CG 4.4Å; V316-Q320 WeakPolarHBondContact O-CG 3.08Å; V316-Q320 PolarHBondContact O-N 2.83Å; K317-Q320 WeakPolarHBondContact O-CB 3.5Å; K317-Q320 PolarHBondContact O-N 3.29Å; K317-Q320 VanDerWaalsContact O-N 3.13Å; W318-Q320 VanDerWaalsContact C-N 3.32Å; W318-Q320 PolarHBondContact O-N 3.28Å; Q320-N322 VanDerWaalsContact C-N 3.33Å |
| 321 | D | 95.5 | Very high | 85.2 | Confident | 93 Ų | 93 | 56.4 Ų | 56.4 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.4 | -19.8 | 179.1 | -64 | -17.8 | 0 | 0 | 0 | 112.3 | K317 W318 P323 | K317-D321 WeakPolarHBondContact CE-OD2 3.47Å; K317-D321 WeakPolarHBondContact CG-OD2 3.4Å; K317-D321 IonicContact NZ-OD1 2.84Å; K317-D321 PolarHBondContact NZ-OD1 2.88Å; K317-D321 IonicContact NZ-OD2 3.51Å; K317-D321 PolarHBondContact NZ-OD2 3.11Å; K317-D321 WeakPolarHBondContact O-CB 2.97Å; K317-D321 VanDerWaalsContact O-CG 3.27Å; K317-D321 PolarHBondContact O-N 3.46Å; W318-D321 PolarHBondContact O-N 3.08Å; D321-P323 VanDerWaalsContact C-CD 3.41Å |
| 322 | N | 94.4 | Very high | 82.2 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | trans | -127.3 | 54.2 | -176.2 | -59 | -93.2 | 0 | 0 | 0 | 112.8 | W318 Q320 D324 F325 | W318-N322 HydrophobicContact CD2-CB 4.41Å; W318-N322 HydrophobicContact CH2-CB 4.32Å; W318-N322 HydrophobicContact CZ2-CB 4.2Å; W318-N322 HydrophobicContact CZ3-CB 4.47Å; W318-N322 PolarHBondContact NE1-ND2 3.06Å; W318-N322 VanDerWaalsContact O-CB 3.27Å; W318-N322 WeakPolarHBondContact O-CB 3.5Å; W318-N322 PolarHBondContact O-N 2.84Å; W318-N322 PolarHBondContact O-ND2 2.95Å; Q320-N322 VanDerWaalsContact C-N 3.33Å; N322-D324 PolarHBondContact O-N 3.19Å; N322-D324 VanDerWaalsContact O-N 3.14Å; N322-F325 HydrophobicContact CB-CB 4.17Å; N322-F325 WeakPolarHBondContact O-CB 3.32Å; N322-F325 PolarHBondContact O-N 3.38Å | ||
| 323 | P | 90.3 | Very high | 79.4 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.9 | -174.2 | 26.8 | -35.2 | 0 | 0 | 0 | 112.9 | D321 | D321-P323 VanDerWaalsContact C-CD 3.41Š|
| 324 | D | 89.3 | Confident | 76.4 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 49% | 0.492 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -2.7 | -173 | -59.5 | -19.9 | 0 | 0 | 0 | 113.7 | N322 W326 L327 | N322-D324 PolarHBondContact O-N 3.19Å; N322-D324 VanDerWaalsContact O-N 3.14Å; D324-W326 PolarHBondContact O-N 3.37Å; D324-W326 VanDerWaalsContact O-N 3.07Å; D324-L327 HydrophobicContact CB-CD1 3.85Å; D324-L327 HydrophobicContact CB-CG 4.38Å; D324-L327 PolarHBondContact O-N 3.31Å; D324-L327 VanDerWaalsContact O-N 3.11Å; D324-L327 WeakPolarHBondContact OD1-CD1 3.48Å |
| 325 | F | 91.1 | Very high | 73.2 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 6% | 0.057 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35 | -171.7 | -167.7 | -84.7 | 0 | 0 | 0 | 113.5 | R46 R189 W318 N322 | R46-F325 HydrophobicContact CB-CD2 4.33Å; R46-F325 HydrophobicContact CB-CE2 3.64Å; R46-F325 HydrophobicContact CB-CZ 3.94Å; R189-F325 HydrophobicContact CG-CZ 4.09Å; W318-F325 HydrophobicContact CH2-CB 3.9Å; W318-F325 AromaticContact CH2-CD1 3.68Å; W318-F325 HydrophobicContact CH2-CD1 3.68Å; W318-F325 AromaticContact CH2-CD2 3.7Å; W318-F325 HydrophobicContact CH2-CD2 3.7Å; W318-F325 HydrophobicContact CH2-CE1 4.08Å; W318-F325 HydrophobicContact CH2-CE2 4.1Å; W318-F325 AromaticContact CH2-CG 3.47Å; W318-F325 HydrophobicContact CH2-CG 3.47Å; W318-F325 VanDerWaalsContact CH2-CG 3.47Å; W318-F325 HydrophobicContact CH2-CZ 4.26Å; W318-F325 HydrophobicContact CZ2-CD1 4.41Å; W318-F325 AromaticContact CZ2-CD2 3.69Å; W318-F325 HydrophobicContact CZ2-CD2 3.69Å; W318-F325 AromaticContact CZ2-CE2 3.86Å; W318-F325 HydrophobicContact CZ2-CE2 3.86Å; W318-F325 AromaticContact CZ2-CG 3.98Å; W318-F325 HydrophobicContact CZ2-CG 3.98Å; W318-F325 HydrophobicContact CZ2-CZ 4.28Å; N322-F325 HydrophobicContact CB-CB 4.17Å; N322-F325 WeakPolarHBondContact O-CB 3.32Å; N322-F325 PolarHBondContact O-N 3.38Å |
| 326 | W | 88.4 | Confident | 70.4 | Confident | 11 Ų | 11 | 79 Ų | 79 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 10.3 | -178.3 | -62.3 | 116.3 | 0 | 0 | 0 | 114.1 | R189 Q190 F191 T192 D324 V329 N330 | R189-W326 WeakPolarHBondContact O-CZ2 3.4Å; Q190-W326 PolarHBondContact O-NE1 3.15Å; Q190-W326 VanDerWaalsContact O-NE1 3.09Å; F191-W326 HydrophobicContact CB-CZ2 4.38Å; F191-W326 AromaticContact CD2-CD2 3.72Å; F191-W326 HydrophobicContact CD2-CD2 3.72Å; F191-W326 AromaticContact CD2-CE3 3.52Å; F191-W326 HydrophobicContact CD2-CE3 3.52Å; F191-W326 HydrophobicContact CD2-CG 4.37Å; F191-W326 HydrophobicContact CD2-CH2 4.09Å; F191-W326 HydrophobicContact CD2-CZ2 4.27Å; F191-W326 AromaticContact CD2-CZ3 3.71Å; F191-W326 HydrophobicContact CD2-CZ3 3.71Å; F191-W326 HydrophobicContact CE2-CD2 4.2Å; F191-W326 AromaticContact CE2-CE3 3.84Å; F191-W326 HydrophobicContact CE2-CE3 3.84Å; F191-W326 HydrophobicContact CE2-CZ3 4.29Å; T192-W326 HydrophobicContact CG2-CB 3.91Å; T192-W326 HydrophobicContact CG2-CG 3.9Å; D324-W326 PolarHBondContact O-N 3.37Å; D324-W326 VanDerWaalsContact O-N 3.07Å; W326-V329 HydrophobicContact CE3-CG2 3.95Å; W326-V329 HydrophobicContact CZ3-CG2 4.39Å; W326-N330 PolarHBondContact O-ND2 2.69Å |
| 327 | L | 71.6 | Confident | 67.3 | Low | 65 Ų | 65 | 87.4 Ų | 87.4 | 34% | 0.34 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | -176.5 | -77.6 | -176.9 | 0 | 0 | 0 | 113 | D324 V329 N330 | D324-L327 HydrophobicContact CB-CD1 3.85Å; D324-L327 HydrophobicContact CB-CG 4.38Å; D324-L327 PolarHBondContact O-N 3.31Å; D324-L327 VanDerWaalsContact O-N 3.11Å; D324-L327 WeakPolarHBondContact OD1-CD1 3.48Å; L327-V329 PolarHBondContact O-N 3.05Å; L327-N330 PolarHBondContact O-N 3.47Å |
| 328 | D | 56.3 | Low | 64 | Low | 108 Ų | 108 | 90.1 Ų | 90.1 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -71.7 | -31.6 | -176.9 | -66.8 | -37.5 | 0 | 0 | 0 | 112.7 | N330 K331 | D328-N330 VanDerWaalsContact C-N 3.32Å; D328-N330 PolarHBondContact O-N 3.32Å; D328-K331 PolarHBondContact O-N 2.68Å; D328-K331 IonicContact OD1-NZ 3.79Å |
| 329 | V | 54 | Low | 61.1 | Low | 28 Ų | 28 | 93.6 Ų | 93.6 | 17% | 0.17 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.3 | -31.9 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | Y41 F191 W326 L327 K331 D332 R333 | Y41-V329 WeakPolarHBondContact O-CG1 2.99Å; F191-V329 HydrophobicContact CE2-CB 4.38Å; F191-V329 HydrophobicContact CE2-CG1 3.89Å; F191-V329 HydrophobicContact CZ-CG1 4.16Å; W326-V329 HydrophobicContact CE3-CG2 3.95Å; W326-V329 HydrophobicContact CZ3-CG2 4.39Å; L327-V329 PolarHBondContact O-N 3.05Å; V329-K331 VanDerWaalsContact C-N 3.33Å; V329-K331 PolarHBondContact O-N 3.26Å; V329-D332 WeakPolarHBondContact O-CB 3.46Å; V329-D332 PolarHBondContact O-N 2.97Å; V329-R333 PolarHBondContact O-N 3.33Å |
| 330 | N | 44.8 | Very low | 58.3 | Low | 44 Ų | 44 | 102.1 Ų | 102.1 | 24% | 0.235 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -73.3 | -22.6 | 178.8 | -82.4 | -50.8 | 0 | 0 | 0 | 113.5 | W326 L327 D328 D332 | W326-N330 PolarHBondContact O-ND2 2.69Å; L327-N330 PolarHBondContact O-N 3.47Å; D328-N330 VanDerWaalsContact C-N 3.32Å; D328-N330 PolarHBondContact O-N 3.32Å; N330-D332 VanDerWaalsContact C-N 3.35Å |
| 331 | K | 39 | Very low | 55.4 | Low | 144 Ų | 144 | 105.6 Ų | 105.6 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.2 | -37.6 | 170.4 | -69.9 | 175.9 | -176.8 | 162.5 | 0 | 110.7 | D328 V329 R333 R334 | D328-K331 PolarHBondContact O-N 2.68Å; D328-K331 IonicContact OD1-NZ 3.79Å; V329-K331 VanDerWaalsContact C-N 3.33Å; V329-K331 PolarHBondContact O-N 3.26Å; K331-R333 VanDerWaalsContact C-N 3.29Å; K331-R333 PolarHBondContact O-N 3.43Å; K331-R334 PolarHBondContact O-N 3.34Å |
| 332 | D | 36.7 | Very low | 52.4 | Low | 59 Ų | 59 | 105.2 Ų | 105.2 | 32% | 0.316 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.4 | -22.8 | -178.6 | -143.2 | 32.2 | 0 | 0 | 0 | 113.1 | V329 N330 R334 I335 R336 | V329-D332 WeakPolarHBondContact O-CB 3.46Å; V329-D332 PolarHBondContact O-N 2.97Å; N330-D332 VanDerWaalsContact C-N 3.35Å; D332-R334 VanDerWaalsContact C-N 3.26Å; D332-R334 PolarHBondContact O-N 3.22Å; D332-I335 PolarHBondContact O-N 3.16Å; D332-R336 PolarHBondContact O-N 3.03Å; D332-R336 IonicContact OD2-CZ 3.61Å; D332-R336 IonicContact OD2-NE 3.76Å; D332-R336 PolarHBondContact OD2-NE 3.02Å; D332-R336 IonicContact OD2-NH2 3.53Å; D332-R336 PolarHBondContact OD2-NH2 3.46Å |
| 333 | R | 39.3 | Very low | 49.5 | Very low | 129 Ų | 129 | 107.6 Ų | 107.6 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -23.5 | 171.8 | -103.5 | -173 | 173.3 | -170 | 0.3 | 114.2 | E193 V329 K331 I335 | E193-R333 IonicContact OE2-NH2 2.59Å; V329-R333 PolarHBondContact O-N 3.33Å; K331-R333 VanDerWaalsContact C-N 3.29Å; K331-R333 PolarHBondContact O-N 3.43Å; R333-I335 VanDerWaalsContact C-N 3.32Å |
| 334 | R | 33.9 | Very low | 46.9 | Very low | 220 Ų | 220 | 111.8 Ų | 111.8 | 83% | 0.83 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -23.8 | 172.3 | -66.8 | -172.9 | -160.6 | 176.1 | 5.4 | 112.2 | K331 D332 | K331-R334 PolarHBondContact O-N 3.34Å; D332-R334 VanDerWaalsContact C-N 3.26Å; D332-R334 PolarHBondContact O-N 3.22Å |
| 335 | I | 31.9 | Very low | 44.3 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -27.7 | -177.4 | -59.7 | 175.5 | 0 | 0 | 0 | 111 | D332 R333 K337 | D332-I335 PolarHBondContact O-N 3.16Å; R333-I335 VanDerWaalsContact C-N 3.32Å; I335-K337 PolarHBondContact O-N 3.22Å |
| 336 | R | 38.9 | Very low | 42 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 54% | 0.543 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | 15 | -178.1 | -59.7 | -175.7 | -167.6 | -162.1 | 4.4 | 115.6 | D332 E338 | D332-R336 PolarHBondContact O-N 3.03Å; D332-R336 IonicContact OD2-CZ 3.61Å; D332-R336 IonicContact OD2-NE 3.76Å; D332-R336 PolarHBondContact OD2-NE 3.02Å; D332-R336 IonicContact OD2-NH2 3.53Å; D332-R336 PolarHBondContact OD2-NH2 3.46Å; R336-E338 VanDerWaalsContact C-N 3.34Å |
| 337 | K | 32.3 | Very low | 39.6 | Very low | 183 Ų | 183 | 128.9 Ų | 128.9 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 2.5 | 175.8 | -94.5 | -166.9 | 176.3 | -170 | 0 | 114.4 | I335 | I335-K337 PolarHBondContact O-N 3.22Š|
| 338 | E | 29.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -101.3 | 115 | 170.9 | -72.2 | -175.8 | 168.6 | 0 | 0 | 110.4 | R336 | R336-E338 VanDerWaalsContact C-N 3.34Š| ||
| 339 | P | 36.7 | Very low | 36.7 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | trans | -76.2 | 129.3 | 148.1 | 13.7 | 2.2 | 0 | 0 | 0 | 108.1 | N341 | P339-N341 PolarHBondContact O-N 3.22Š| ||
| 340 | E | 36.7 | Very low | 35.6 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -43.7 | 106.9 | 170 | -66.2 | 170.9 | 151 | 0 | 0 | 111.4 | A342 | E340-A342 HydrophobicContact CB-CB 4.45Å; E340-A342 PolarHBondContact O-N 3.46Å | ||
| 341 | N | 32.4 | Very low | 35 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 74% | 0.742 | S | S | * | * | trans | -72.8 | 77.6 | 148.6 | -87.9 | -20.6 | 0 | 0 | 0 | 107.3 | P339 | P339-N341 PolarHBondContact O-N 3.22Š| ||
| 342 | A | 33.5 | Very low | 34.7 | Very low | 85 Ų | 85 | 147.2 Ų | 147.2 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -102.5 | 65.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | E340 | E340-A342 HydrophobicContact CB-CB 4.45Å; E340-A342 PolarHBondContact O-N 3.46Å | ||
| 343 | S | 33.2 | Very low | 34.5 | Very low | 100 Ų | 100 | 154 Ų | 154 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -77.4 | 117.1 | 163.7 | 45.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 344 | N | 34.5 | Very low | 34.1 | Very low | 161 Ų | 161 | 156.1 Ų | 156.1 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | 3.6 | 115.2 | 153.2 | -68.5 | -19.5 | 0 | 0 | 0 | 117.1 | ||||
| 345 | T | 36.4 | Very low | 34.2 | Very low | 219 Ų | 219 | 150.3 Ų | 150.3 | 100% | 1.344 | 81% | 0.807 | S | S | * | * | trans | -142.2 | 0 | 130.5 | 44.2 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 345 of 345 residues in 1050.5 ms
(Link to these results)