| 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 | 55.7 | Low | 76.8 | Confident | 197 Ų | 197 | 103.7 Ų | 103.7 | 97% | 0.97 | 52% | 0.517 | S | S | * | . | 0 | 138.7 | 0 | -174.7 | 178.4 | 178.8 | 0 | 0 | 108.8 | V3 | M1-V3 HydrophobicContact CE-CG2 4.17Å; M1-V3 HydrophobicContact CG-CG2 3.94Å; M1-V3 HydrophobicContact SD-CG2 4.03Å | |||
| 2 | R | 59.5 | Low | 77.6 | Confident | 250 Ų | 250 | 95.1 Ų | 95.1 | 94% | 0.943 | 47% | 0.474 | S | S | * | . | trans | -94.7 | 130.8 | 166.4 | -76.1 | -174.1 | 178.7 | 173.7 | 0.8 | 107.7 | ||||
| 3 | V | 73 | Confident | 78.1 | Confident | 55 Ų | 55 | 92 Ų | 92 | 33% | 0.333 | 47% | 0.465 | S | S | . | . | trans | -124.2 | 136.4 | -177.5 | -177 | 0 | 0 | 0 | 0 | 107.6 | M1 S5 L8 V67 | M1-V3 HydrophobicContact CE-CG2 4.17Å; M1-V3 HydrophobicContact CG-CG2 3.94Å; M1-V3 HydrophobicContact SD-CG2 4.03Å; V3-S5 VanDerWaalsContact C-N 3.3Å; V3-S5 PolarHBondContact O-N 3.04Å; V3-L8 HydrophobicContact CG1-CB 4.44Å; V3-L8 HydrophobicContact CG1-CD2 3.49Å; V3-L8 VanDerWaalsContact CG1-CD2 3.49Å; V3-V67 HydrophobicContact CG1-CG2 4.39Å | ||
| 4 | N | 79.7 | Confident | 78.5 | Confident | 84 Ų | 84 | 92.4 Ų | 92.4 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | trans | -75.7 | 87.6 | 166.8 | -171.2 | -12.9 | 0 | 0 | 0 | 108.4 | K6 E7 L8 | N4-K6 PolarHBondContact O-N 3.45Å; N4-K6 PolarHBondContact OD1-N 3.45Å; N4-E7 HydrophobicContact CB-CB 4.32Å; N4-E7 WeakPolarHBondContact ND2-CG 3.36Å; N4-E7 PolarHBondContact ND2-OE2 3.09Å; N4-E7 PolarHBondContact O-N 2.92Å; N4-E7 PolarHBondContact OD1-N 2.75Å; N4-L8 VanDerWaalsContact O-CB 3.28Å; N4-L8 WeakPolarHBondContact O-CB 3.31Å; N4-L8 PolarHBondContact O-N 3.29Å | ||
| 5 | S | 81.9 | Confident | 78.8 | Confident | 62 Ų | 62 | 89.3 Ų | 89.3 | 43% | 0.434 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -27.3 | -177.8 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | V3 G9 I64 | V3-S5 VanDerWaalsContact C-N 3.3Å; V3-S5 PolarHBondContact O-N 3.04Å; S5-G9 WeakPolarHBondContact O-CA 3.49Å; S5-G9 PolarHBondContact O-N 3.41Å; S5-I64 WeakPolarHBondContact O-CG1 3.14Å |
| 6 | K | 79.7 | Confident | 79.2 | Confident | 166 Ų | 166 | 92.1 Ų | 92.1 | 72% | 0.722 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71 | -54.1 | 179.5 | -170.2 | -177.8 | 178.9 | -172.9 | 0 | 111.5 | N4 G9 C10 | N4-K6 PolarHBondContact O-N 3.45Å; N4-K6 PolarHBondContact OD1-N 3.45Å; K6-G9 WeakPolarHBondContact O-CA 3.36Å; K6-G9 PolarHBondContact O-N 3.22Å; K6-C10 PolarHBondContact O-N 3.13Å; K6-C10 PolarHBondContact O-SG 3.21Å; K6-C10 VanDerWaalsContact O-SG 3.37Å |
| 7 | E | 81 | Confident | 79.8 | Confident | 128 Ų | 128 | 88.1 Ų | 88.1 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 176.4 | -80.7 | 174.8 | 173.1 | 0 | 0 | 111.7 | N4 G9 C10 V11 | N4-E7 HydrophobicContact CB-CB 4.32Å; N4-E7 WeakPolarHBondContact ND2-CG 3.36Å; N4-E7 PolarHBondContact ND2-OE2 3.09Å; N4-E7 PolarHBondContact O-N 2.92Å; N4-E7 PolarHBondContact OD1-N 2.75Å; E7-G9 PolarHBondContact O-N 3.4Å; E7-C10 WeakPolarHBondContact O-CB 3.41Å; E7-C10 PolarHBondContact O-N 3.13Å; E7-V11 WeakPolarHBondContact O-CG2 3.31Å; E7-V11 PolarHBondContact O-N 2.93Å |
| 8 | L | 83.7 | Confident | 80.4 | Confident | 36 Ų | 36 | 86.8 Ų | 86.8 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 177.2 | -169.8 | 60.5 | 0 | 0 | 0 | 111.3 | V3 N4 V11 S12 W15 L52 V67 | V3-L8 HydrophobicContact CG1-CB 4.44Å; V3-L8 HydrophobicContact CG1-CD2 3.49Å; V3-L8 VanDerWaalsContact CG1-CD2 3.49Å; N4-L8 VanDerWaalsContact O-CB 3.28Å; N4-L8 WeakPolarHBondContact O-CB 3.31Å; N4-L8 PolarHBondContact O-N 3.29Å; L8-V11 PolarHBondContact O-N 2.71Å; L8-S12 WeakPolarHBondContact O-CB 3.39Å; L8-S12 PolarHBondContact O-N 3.09Å; L8-S12 PolarHBondContact O-OG 2.66Å; L8-S12 VanDerWaalsContact O-OG 3.1Å; L8-W15 HydrophobicContact CD1-CZ3 4.15Å; L8-L52 HydrophobicContact CD2-CD2 3.57Å; L8-L52 HydrophobicContact CG-CD1 4.37Å; L8-L52 HydrophobicContact CG-CD2 4.09Å; L8-V67 HydrophobicContact CD2-CG2 3.96Å |
| 9 | G | 84.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S5 K6 E7 S12 P13 N62 | S5-G9 WeakPolarHBondContact O-CA 3.49Å; S5-G9 PolarHBondContact O-N 3.41Å; K6-G9 WeakPolarHBondContact O-CA 3.36Å; K6-G9 PolarHBondContact O-N 3.22Å; E7-G9 PolarHBondContact O-N 3.4Å; G9-S12 PolarHBondContact O-OG 3.1Å; G9-P13 WeakPolarHBondContact O-CD 3.3Å; G9-N62 WeakPolarHBondContact CA-O 3.49Å; G9-N62 WeakPolarHBondContact O-CB 3.5Å |
| 10 | C | 81.7 | Confident | 81.8 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 55% | 0.547 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 177.2 | -67 | 0 | 0 | 0 | 0 | 113.4 | K6 E7 P13 | K6-C10 PolarHBondContact O-N 3.13Å; K6-C10 PolarHBondContact O-SG 3.21Å; K6-C10 VanDerWaalsContact O-SG 3.37Å; E7-C10 WeakPolarHBondContact O-CB 3.41Å; E7-C10 PolarHBondContact O-N 3.13Å; C10-P13 WeakPolarHBondContact O-CD 3.31Å |
| 11 | V | 83.9 | Confident | 82.3 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 50% | 0.497 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -85.7 | -32.4 | -176.1 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | E7 L8 S14 W15 | E7-V11 WeakPolarHBondContact O-CG2 3.31Å; E7-V11 PolarHBondContact O-N 2.93Å; L8-V11 PolarHBondContact O-N 2.71Å; V11-S14 PolarHBondContact O-N 3.44Å; V11-S14 VanDerWaalsContact O-N 3.16Å; V11-S14 PolarHBondContact O-OG 3.1Å; V11-W15 PolarHBondContact O-N 2.67Å |
| 12 | S | 86.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -59.4 | -31.9 | -172.7 | 64 | 0 | 0 | 0 | 0 | 116.6 | L8 G9 S14 W15 R45 | L8-S12 WeakPolarHBondContact O-CB 3.39Å; L8-S12 PolarHBondContact O-N 3.09Å; L8-S12 PolarHBondContact O-OG 2.66Å; L8-S12 VanDerWaalsContact O-OG 3.1Å; G9-S12 PolarHBondContact O-OG 3.1Å; S12-S14 PolarHBondContact O-N 3.4Å; S12-W15 PolarHBondContact O-N 3.31Å; S12-R45 PolarHBondContact OG-NH1 3.01Å |
| 13 | P | 84 | Confident | 85.7 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -64.8 | -27.1 | 177.2 | -20.6 | 32.2 | 0 | 0 | 0 | 113.6 | G9 C10 N62 | G9-P13 WeakPolarHBondContact O-CD 3.3Å; C10-P13 WeakPolarHBondContact O-CD 3.31Å; P13-N62 WeakPolarHBondContact CG-OD1 3.28Å |
| 14 | S | 84 | Confident | 86.6 | Confident | 97 Ų | 97 | 60 Ų | 60 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -98.4 | -2.2 | -179.4 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | V11 S12 N16 | V11-S14 PolarHBondContact O-N 3.44Å; V11-S14 VanDerWaalsContact O-N 3.16Å; V11-S14 PolarHBondContact O-OG 3.1Å; S12-S14 PolarHBondContact O-N 3.4Å; S14-N16 PolarHBondContact O-N 3.15Å |
| 15 | W | 83.2 | Confident | 87.2 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -75.8 | 4.7 | -164.7 | 111.2 | -21.5 | 0 | 0 | 0 | 115.2 | L8 V11 S12 S17 K47 I50 L52 | L8-W15 HydrophobicContact CD1-CZ3 4.15Å; V11-W15 PolarHBondContact O-N 2.67Å; S12-W15 PolarHBondContact O-N 3.31Å; W15-S17 PolarHBondContact NE1-OG 3.23Å; W15-K47 HydrophobicContact CD2-CD 4.44Å; W15-K47 HydrophobicContact CD2-CG 4.32Å; W15-K47 VanDerWaalsContact CE2-CG 3.48Å; W15-K47 HydrophobicContact CG-CD 4.29Å; W15-K47 HydrophobicContact CZ2-CB 3.37Å; W15-K47 HydrophobicContact CZ2-CD 4.5Å; W15-K47 HydrophobicContact CZ2-CG 3.61Å; W15-K47 WeakPolarHBondContact O-CD 3.44Å; W15-K47 WeakPolarHBondContact O-CE 3.46Å; W15-K47 PolarHBondContact O-NZ 3.38Å; W15-I50 HydrophobicContact CH2-CB 3.83Å; W15-I50 HydrophobicContact CH2-CD1 4.18Å; W15-I50 HydrophobicContact CH2-CG2 3.86Å; W15-I50 HydrophobicContact CZ2-CB 4.45Å; W15-L52 HydrophobicContact CH2-CD1 4.28Å; W15-L52 HydrophobicContact CZ3-CD1 4.24Å |
| 16 | N | 85.6 | Confident | 87.3 | Confident | 134 Ų | 134 | 59.4 Ų | 59.4 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | trans | 50.6 | 70.2 | -175.3 | -170.1 | 19 | 0 | 0 | 0 | 112.5 | S14 K47 | S14-N16 PolarHBondContact O-N 3.15Å; N16-K47 WeakPolarHBondContact O-CD 3.28Å; N16-K47 PolarHBondContact O-NZ 3.02Å | ||
| 17 | S | 89.4 | Confident | 87.2 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 16% | 0.161 | 29% | 0.292 | C | S | . | . | trans | -58.3 | 142.7 | -175.9 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | W15 F19 L46 | W15-S17 PolarHBondContact NE1-OG 3.23Å; S17-F19 VanDerWaalsContact C-N 3.29Å; S17-L46 CarbonylContact C-O 3.57Å | ||
| 18 | S | 89.6 | Confident | 86.7 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 46% | 0.462 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -69 | -30.6 | 174.1 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | L46 | S18-L46 WeakPolarHBondContact CB-O 3.45Å; S18-L46 PolarHBondContact N-O 3.43Å |
| 19 | F | 94.2 | Very high | 85.5 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 18% | 0.184 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 148 | 169.3 | -164.4 | -118.6 | 0 | 0 | 0 | 108.8 | S17 L46 K110 W111 H114 | S17-F19 VanDerWaalsContact C-N 3.29Å; F19-L46 HydrophobicContact CB-CB 4.47Å; F19-L46 HydrophobicContact CB-CD2 4.44Å; F19-L46 PolarHBondContact N-O 2.96Å; F19-L46 WeakPolarHBondContact O-CB 3.49Å; F19-L46 PolarHBondContact O-N 3.36Å; F19-K110 HydrophobicContact CE1-CB 4.24Å; F19-K110 HydrophobicContact CE2-CB 4.26Å; F19-K110 HydrophobicContact CZ-CB 3.66Å; F19-W111 AromaticContact CD1-CD2 3.61Å; F19-W111 HydrophobicContact CD1-CD2 3.61Å; F19-W111 AromaticContact CD1-CE2 3.78Å; F19-W111 AromaticContact CD1-CE3 3.62Å; F19-W111 HydrophobicContact CD1-CE3 3.62Å; F19-W111 HydrophobicContact CD1-CG 4.24Å; F19-W111 AromaticContact CD1-CH2 3.94Å; F19-W111 HydrophobicContact CD1-CH2 3.94Å; F19-W111 AromaticContact CD1-CZ2 3.95Å; F19-W111 HydrophobicContact CD1-CZ2 3.95Å; F19-W111 AromaticContact CD1-CZ3 3.78Å; F19-W111 HydrophobicContact CD1-CZ3 3.78Å; F19-W111 AromaticContact CE1-CD1 3.83Å; F19-W111 AromaticContact CE1-CD2 3.52Å; F19-W111 HydrophobicContact CE1-CD2 3.52Å; F19-W111 AromaticContact CE1-CE2 3.53Å; F19-W111 HydrophobicContact CE1-CE3 4.04Å; F19-W111 AromaticContact CE1-CG 3.74Å; F19-W111 HydrophobicContact CE1-CG 3.74Å; F19-W111 HydrophobicContact CE1-CH2 4.49Å; F19-W111 HydrophobicContact CE1-CZ2 4.05Å; F19-W111 HydrophobicContact CE1-CZ3 4.49Å; F19-W111 AromaticContact CE1-NE1 3.73Å; F19-H114 HydrophobicContact CB-CB 3.82Å; F19-H114 HydrophobicContact CD1-CB 4.27Å; F19-H114 AromaticContact CD2-CD2 3.41Å; F19-H114 VanDerWaalsContact CD2-CD2 3.41Å; F19-H114 WeakPolarHBondContact CD2-CD2 3.42Å; F19-H114 AromaticContact CD2-CE1 3.97Å; F19-H114 AromaticContact CD2-CG 3.98Å; F19-H114 AromaticContact CD2-NE2 3.46Å; F19-H114 WeakPolarHBondContact CD2-NE2 3.49Å; F19-H114 AromaticContact CE2-CD2 3.85Å; F19-H114 AromaticContact CE2-NE2 3.93Å; F19-H114 HydrophobicContact CG-CB 4.07Å; F19-H114 AromaticContact CG-CD2 3.54Å; F19-H114 AromaticContact CG-CG 3.71Å |
| 20 | E | 94.2 | Very high | 83.9 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 154.5 | 176.2 | 61.3 | -176 | 179.2 | 0 | 0 | 110.9 | W43 C44 R45 R59 | E20-W43 HydrophobicContact CB-CZ2 4.26Å; E20-W43 HydrophobicContact CG-CZ2 4Å; E20-C44 WeakPolarHBondContact CA-O 3.24Å; E20-C44 WeakPolarHBondContact CB-O 3.43Å; E20-R45 HydrophobicContact CB-CG 4.44Å; E20-R59 IonicContact OE1-CZ 3.41Å; E20-R59 IonicContact OE1-NH1 3.57Å; E20-R59 PolarHBondContact OE1-NH1 3.08Å; E20-R59 IonicContact OE1-NH2 3.51Å |
| 21 | G | 92.9 | Very high | 82.2 | Confident | 10 Ų | 10 | 63.5 Ų | 63.5 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C44 | G21-C44 PolarHBondContact N-O 3.4Å; G21-C44 VanDerWaalsContact N-O 3.08Å; G21-C44 WeakPolarHBondContact O-CB 3.32Å; G21-C44 PolarHBondContact O-N 2.89Å |
| 22 | I | 93.7 | Very high | 80.6 | Confident | 19 Ų | 19 | 72.4 Ų | 72.4 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 135.6 | -178.8 | -63.8 | 173.6 | 0 | 0 | 0 | 109.9 | E41 H42 W43 | I22-E41 HydrophobicContact CG2-CG 3.44Å; I22-E41 VanDerWaalsContact CG2-CG 3.44Å; I22-E41 WeakPolarHBondContact CG2-OE1 3.34Å; I22-H42 WeakPolarHBondContact CA-O 3.44Å; I22-W43 HydrophobicContact CD1-CE3 4.35Å; I22-W43 HydrophobicContact CD1-CZ3 4.34Å; I22-W43 HydrophobicContact CG1-CE3 3.57Å; I22-W43 HydrophobicContact CG1-CZ3 3.81Å |
| 23 | L | 94.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.7 | 167.3 | -70.2 | 172.7 | 0 | 0 | 0 | 110 | H42 C44 F87 F100 A102 W111 | L23-H42 PolarHBondContact N-O 2.8Å; L23-H42 PolarHBondContact O-N 3.45Å; L23-C44 HydrophobicContact CD1-CB 4.16Å; L23-C44 HydrophobicContact CG-CB 4.49Å; L23-F87 HydrophobicContact CD1-CZ 3.95Å; L23-F87 HydrophobicContact CD2-CE1 3.75Å; L23-F87 HydrophobicContact CD2-CZ 3.74Å; L23-F100 HydrophobicContact CB-CD1 4.01Å; L23-F100 HydrophobicContact CD1-CB 4.41Å; L23-F100 HydrophobicContact CD1-CD1 3.95Å; L23-F100 HydrophobicContact CD1-CE1 4.48Å; L23-F100 HydrophobicContact CD1-CG 4.21Å; L23-F100 HydrophobicContact CD2-CB 4.43Å; L23-A102 HydrophobicContact CD2-CB 4.19Å; L23-W111 HydrophobicContact CD1-CD2 3.78Å; L23-W111 HydrophobicContact CD1-CE3 4.03Å; L23-W111 HydrophobicContact CD1-CG 4.3Å; L23-W111 HydrophobicContact CD1-CH2 4.24Å; L23-W111 HydrophobicContact CD1-CZ2 3.96Å; L23-W111 HydrophobicContact CD1-CZ3 4.26Å; L23-W111 HydrophobicContact CD2-CD2 4.2Å; L23-W111 HydrophobicContact CD2-CG 3.96Å; L23-W111 HydrophobicContact CG-CD2 4.16Å; L23-W111 HydrophobicContact CG-CG 4.44Å; L23-W111 HydrophobicContact CG-CZ2 4.02Å |
| 24 | Y | 91.6 | Very high | 76.9 | Confident | 73 Ų | 73 | 83.1 Ų | 83.1 | 29% | 0.286 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 122.2 | 166.9 | -58.7 | -88.9 | 0 | 0 | 0 | 109.3 | S40 E41 F100 V101 R103 | Y24-S40 WeakPolarHBondContact CA-O 3.4Å; Y24-E41 HydrophobicContact CD1-CB 3.83Å; Y24-E41 HydrophobicContact CD1-CG 4.02Å; Y24-E41 HydrophobicContact CE1-CB 3.66Å; Y24-E41 HydrophobicContact CE1-CG 3.56Å; Y24-F100 CarbonylContact O-C 3.59Å; Y24-F100 VanDerWaalsContact O-CA 3.23Å; Y24-F100 WeakPolarHBondContact O-CA 3.33Å; Y24-V101 HydrophobicContact CD2-CB 4.49Å; Y24-V101 WeakPolarHBondContact CD2-O 3.39Å; Y24-V101 PolarHBondContact N-O 3.13Å; Y24-V101 PolarHBondContact O-N 3.47Å; Y24-R103 HydrophobicContact CE2-CG 4.11Å |
| 25 | W | 90.9 | Very high | 74.8 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 19% | 0.193 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.3 | -179.1 | 173.7 | 35.7 | 0 | 0 | 0 | 111 | Q27 F39 S40 H42 L53 L98 F100 | W25-Q27 HydrophobicContact CD2-CG 3.81Å; W25-Q27 HydrophobicContact CE3-CG 3.74Å; W25-Q27 HydrophobicContact CG-CG 4.44Å; W25-Q27 HydrophobicContact CH2-CG 4.17Å; W25-Q27 HydrophobicContact CZ2-CG 4.22Å; W25-Q27 HydrophobicContact CZ3-CG 3.96Å; W25-Q27 PolarHBondContact O-N 3.41Å; W25-F39 WeakPolarHBondContact O-CA 3.41Å; W25-S40 PolarHBondContact N-O 3Å; W25-S40 PolarHBondContact O-N 3.23Å; W25-S40 PolarHBondContact O-OG 3.13Å; W25-H42 AromaticContact CE3-CE1 3.91Å; W25-H42 AromaticContact CE3-NE2 3.97Å; W25-L53 HydrophobicContact CD2-CD1 3.99Å; W25-L53 HydrophobicContact CE3-CD1 3.63Å; W25-L53 HydrophobicContact CH2-CD1 4.46Å; W25-L53 HydrophobicContact CZ3-CD1 3.86Å; W25-L98 HydrophobicContact CZ2-CD2 4.25Å; W25-F100 HydrophobicContact CB-CD1 3.95Å; W25-F100 HydrophobicContact CB-CE1 3.78Å; W25-F100 AromaticContact CD1-CE1 3.88Å; W25-F100 HydrophobicContact CG-CD1 4.37Å; W25-F100 AromaticContact CG-CE1 3.88Å; W25-F100 HydrophobicContact CG-CE1 3.88Å |
| 26 | K | 84.2 | Confident | 73.5 | Confident | 81 Ų | 81 | 90 Ų | 90 | 35% | 0.352 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 106.5 | 175.9 | -167.9 | 171.8 | -176.9 | 169.8 | 0 | 110.9 | C37 F39 V99 | K26-C37 WeakPolarHBondContact CE-SG 3.41Å; K26-C37 HydrophobicContact CG-CB 4.11Å; K26-C37 WeakPolarHBondContact CG-SG 3.49Å; K26-F39 HydrophobicContact CB-CD1 4Å; K26-F39 HydrophobicContact CB-CE1 3.5Å; K26-F39 VanDerWaalsContact CB-CE1 3.5Å; K26-F39 HydrophobicContact CB-CZ 3.85Å; K26-F39 HydrophobicContact CD-CE1 4.4Å; K26-F39 HydrophobicContact CD-CE2 4.45Å; K26-F39 HydrophobicContact CD-CZ 3.89Å; K26-F39 HydrophobicContact CG-CE1 4.11Å; K26-F39 HydrophobicContact CG-CE2 4.37Å; K26-F39 HydrophobicContact CG-CZ 3.95Å; K26-V99 HydrophobicContact CB-CB 3.92Å; K26-V99 HydrophobicContact CB-CG1 4.47Å; K26-V99 HydrophobicContact CD-CB 4.06Å; K26-V99 HydrophobicContact CD-CG1 4.31Å; K26-V99 HydrophobicContact CD-CG2 4.38Å; K26-V99 PolarHBondContact N-O 3.23Å |
| 27 | Q | 78.7 | Confident | 72.5 | Confident | 60 Ų | 60 | 86.5 Ų | 86.5 | 28% | 0.28 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.1 | 174.6 | -68.9 | 178.1 | -22.1 | 0 | 0 | 111 | W25 C37 V38 S40 | W25-Q27 HydrophobicContact CD2-CG 3.81Å; W25-Q27 HydrophobicContact CE3-CG 3.74Å; W25-Q27 HydrophobicContact CG-CG 4.44Å; W25-Q27 HydrophobicContact CH2-CG 4.17Å; W25-Q27 HydrophobicContact CZ2-CG 4.22Å; W25-Q27 HydrophobicContact CZ3-CG 3.96Å; W25-Q27 PolarHBondContact O-N 3.41Å; Q27-C37 WeakPolarHBondContact O-CA 3.33Å; Q27-C37 PolarHBondContact O-SG 2.65Å; Q27-V38 PolarHBondContact N-O 3.1Å; Q27-V38 PolarHBondContact O-N 3.04Å; Q27-V38 VanDerWaalsContact O-N 3.11Å; Q27-S40 PolarHBondContact OE1-OG 3.39Å |
| 28 | K | 70.5 | Confident | 72 | Confident | 154 Ų | 154 | 89.5 Ų | 89.5 | 67% | 0.67 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.4 | 167.3 | -85 | -170.9 | 174.5 | -172.6 | 0 | 108.9 | ||
| 29 | V | 58.6 | Low | 71.6 | Confident | 64 Ų | 64 | 89.4 Ų | 89.4 | 39% | 0.388 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 101.9 | 170.4 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | S31 G36 V38 | V29-S31 VanDerWaalsContact C-N 3.29Å; V29-S31 PolarHBondContact O-N 2.82Å; V29-S31 VanDerWaalsContact O-N 3.17Å; V29-G36 PolarHBondContact N-O 3.28Å; V29-V38 HydrophobicContact CG2-CB 4.28Å; V29-V38 HydrophobicContact CG2-CG2 3.89Å |
| 30 | D | 49.6 | Very low | 71.2 | Confident | 152 Ų | 152 | 88.8 Ų | 88.8 | 81% | 0.813 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 75.7 | 168.2 | -80.2 | -27.7 | 0 | 0 | 0 | 108.9 | ||
| 31 | S | 46.8 | Very low | 71.1 | Confident | 68 Ų | 68 | 89.5 Ų | 89.5 | 48% | 0.476 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.1 | 168.1 | -162.7 | 0 | 0 | 0 | 0 | 110.1 | V29 S33 K34 | V29-S31 VanDerWaalsContact C-N 3.29Å; V29-S31 PolarHBondContact O-N 2.82Å; V29-S31 VanDerWaalsContact O-N 3.17Å; S31-S33 PolarHBondContact O-N 3.34Å; S31-K34 PolarHBondContact O-N 3.3Å |
| 32 | R | 50.6 | Low | 71.1 | Confident | 269 Ų | 269 | 89.3 Ų | 89.3 | 100% | 1.015 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -15.2 | -169.7 | -81.8 | -177.5 | 171.7 | 173.5 | -2.6 | 115.2 | ||
| 33 | S | 51.3 | Low | 71.2 | Confident | 106 Ų | 106 | 90.1 Ų | 90.1 | 74% | 0.741 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -10.8 | -173 | 53.2 | 0 | 0 | 0 | 0 | 116.6 | S31 | S31-S33 PolarHBondContact O-N 3.34Š|
| 34 | K | 41.6 | Very low | 71.3 | Confident | 174 Ų | 174 | 90.1 Ų | 90.1 | 76% | 0.757 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 110.5 | 172 | -78.4 | -174 | 177.5 | 174.4 | 0 | 110.4 | S31 G36 | S31-K34 PolarHBondContact O-N 3.3Å; K34-G36 PolarHBondContact O-N 3Å |
| 35 | R | 39.8 | Very low | 71.4 | Confident | 248 Ų | 248 | 86.6 Ų | 86.6 | 94% | 0.936 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 110.1 | 163.3 | -72 | -176.1 | -168.7 | 173.2 | 4.5 | 107.7 | ||
| 36 | G | 54.7 | Low | 71.6 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 160.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V29 K34 | V29-G36 PolarHBondContact N-O 3.28Å; K34-G36 PolarHBondContact O-N 3Å |
| 37 | C | 65.1 | Low | 71.9 | Confident | 61 Ų | 61 | 83.9 Ų | 83.9 | 41% | 0.412 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.1 | 166.8 | -116.1 | 0 | 0 | 0 | 0 | 108.8 | K26 Q27 | K26-C37 WeakPolarHBondContact CE-SG 3.41Å; K26-C37 HydrophobicContact CG-CB 4.11Å; K26-C37 WeakPolarHBondContact CG-SG 3.49Å; Q27-C37 WeakPolarHBondContact O-CA 3.33Å; Q27-C37 PolarHBondContact O-SG 2.65Å |
| 38 | V | 79 | Confident | 72.3 | Confident | 85 Ų | 85 | 81.9 Ų | 81.9 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.7 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | Q27 V29 | Q27-V38 PolarHBondContact N-O 3.1Å; Q27-V38 PolarHBondContact O-N 3.04Å; Q27-V38 VanDerWaalsContact O-N 3.11Å; V29-V38 HydrophobicContact CG2-CB 4.28Å; V29-V38 HydrophobicContact CG2-CG2 3.89Å |
| 39 | F | 82.2 | Confident | 73.1 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.8 | 170.5 | -78.1 | -83 | 0 | 0 | 0 | 109.1 | W25 K26 I83 V99 V101 | W25-F39 WeakPolarHBondContact O-CA 3.41Å; K26-F39 HydrophobicContact CB-CD1 4Å; K26-F39 HydrophobicContact CB-CE1 3.5Å; K26-F39 VanDerWaalsContact CB-CE1 3.5Å; K26-F39 HydrophobicContact CB-CZ 3.85Å; K26-F39 HydrophobicContact CD-CE1 4.4Å; K26-F39 HydrophobicContact CD-CE2 4.45Å; K26-F39 HydrophobicContact CD-CZ 3.89Å; K26-F39 HydrophobicContact CG-CE1 4.11Å; K26-F39 HydrophobicContact CG-CE2 4.37Å; K26-F39 HydrophobicContact CG-CZ 3.95Å; F39-I83 HydrophobicContact CE2-CD1 3.61Å; F39-I83 HydrophobicContact CZ-CD1 3.65Å; F39-V99 HydrophobicContact CE1-CG1 4.43Å; F39-V101 HydrophobicContact CD1-CG2 3.92Å; F39-V101 HydrophobicContact CE1-CG2 3.46Å; F39-V101 VanDerWaalsContact CE1-CG2 3.46Å; F39-V101 HydrophobicContact CZ-CG2 3.93Å |
| 40 | S | 85.9 | Confident | 74.7 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 20% | 0.203 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.1 | 177.4 | 39.4 | 0 | 0 | 0 | 0 | 110.5 | Y24 W25 Q27 H42 | Y24-S40 WeakPolarHBondContact CA-O 3.4Å; W25-S40 PolarHBondContact N-O 3Å; W25-S40 PolarHBondContact O-N 3.23Å; W25-S40 PolarHBondContact O-OG 3.13Å; Q27-S40 PolarHBondContact OE1-OG 3.39Å; S40-H42 PolarHBondContact O-ND1 2.93Å; S40-H42 PolarHBondContact OG-CE1 3.5Å; S40-H42 VanDerWaalsContact OG-CE1 3.25Å |
| 41 | E | 91 | Very high | 76.8 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128 | -176.4 | -161.5 | 178.5 | 179 | 0 | 0 | 110.8 | I22 Y24 P57 | I22-E41 HydrophobicContact CG2-CG 3.44Å; I22-E41 VanDerWaalsContact CG2-CG 3.44Å; I22-E41 WeakPolarHBondContact CG2-OE1 3.34Å; Y24-E41 HydrophobicContact CD1-CB 3.83Å; Y24-E41 HydrophobicContact CD1-CG 4.02Å; Y24-E41 HydrophobicContact CE1-CB 3.66Å; Y24-E41 HydrophobicContact CE1-CG 3.56Å; E41-P57 HydrophobicContact CB-CB 4.48Å; E41-P57 HydrophobicContact CG-CB 3.89Å |
| 42 | H | 93.8 | Very high | 79 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.1 | -177.8 | -68.5 | 73.3 | 0 | 0 | 0 | 110.6 | I22 L23 W25 S40 C44 C54 S65 | I22-H42 WeakPolarHBondContact CA-O 3.44Å; L23-H42 PolarHBondContact N-O 2.8Å; L23-H42 PolarHBondContact O-N 3.45Å; W25-H42 AromaticContact CE3-CE1 3.91Å; W25-H42 AromaticContact CE3-NE2 3.97Å; S40-H42 PolarHBondContact O-ND1 2.93Å; S40-H42 PolarHBondContact OG-CE1 3.5Å; S40-H42 VanDerWaalsContact OG-CE1 3.25Å; H42-C44 PolarHBondContact O-N 3.05Å; H42-C54 WeakPolarHBondContact CB-O 3.33Å; H42-C54 PolarHBondContact CD2-O 2.93Å; H42-S65 PolarHBondContact NE2-OG 3.02Å; H42-S65 VanDerWaalsContact NE2-OG 3.12Å |
| 43 | W | 95 | Very high | 81.1 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 119.4 | 162.3 | -170.7 | -94.1 | 0 | 0 | 0 | 109 | E20 I22 C54 S56 R59 | E20-W43 HydrophobicContact CB-CZ2 4.26Å; E20-W43 HydrophobicContact CG-CZ2 4Å; I22-W43 HydrophobicContact CD1-CE3 4.35Å; I22-W43 HydrophobicContact CD1-CZ3 4.34Å; I22-W43 HydrophobicContact CG1-CE3 3.57Å; I22-W43 HydrophobicContact CG1-CZ3 3.81Å; W43-C54 HydrophobicContact CB-CB 4.12Å; W43-C54 VanDerWaalsContact O-CB 3.25Å; W43-C54 WeakPolarHBondContact O-CB 3.27Å; W43-C54 PolarHBondContact O-N 3.09Å; W43-C54 PolarHBondContact O-SG 3.07Å; W43-S56 WeakPolarHBondContact CB-O 3.4Å; W43-S56 PolarHBondContact N-O 3.32Å; W43-R59 HydrophobicContact CD2-CB 4.04Å; W43-R59 HydrophobicContact CE3-CB 4.21Å; W43-R59 HydrophobicContact CH2-CB 3.89Å; W43-R59 HydrophobicContact CH2-CG 4.16Å; W43-R59 HydrophobicContact CZ2-CB 3.7Å; W43-R59 HydrophobicContact CZ2-CG 3.62Å; W43-R59 HydrophobicContact CZ3-CB 4.13Å |
| 44 | C | 95.6 | Very high | 83 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.2 | -174.7 | -63 | 0 | 0 | 0 | 0 | 110.4 | E20 G21 L23 H42 L51 L52 L53 W111 | E20-C44 WeakPolarHBondContact CA-O 3.24Å; E20-C44 WeakPolarHBondContact CB-O 3.43Å; G21-C44 PolarHBondContact N-O 3.4Å; G21-C44 VanDerWaalsContact N-O 3.08Å; G21-C44 WeakPolarHBondContact O-CB 3.32Å; G21-C44 PolarHBondContact O-N 2.89Å; L23-C44 HydrophobicContact CD1-CB 4.16Å; L23-C44 HydrophobicContact CG-CB 4.49Å; H42-C44 PolarHBondContact O-N 3.05Å; C44-L51 HydrophobicContact CB-CD1 4.15Å; C44-L52 CarbonylContact C-O 3.53Å; C44-L52 VanDerWaalsContact CA-O 3.24Å; C44-L52 WeakPolarHBondContact CA-O 3.33Å; C44-L53 HydrophobicContact CB-CD2 4.41Å; C44-L53 WeakPolarHBondContact SG-CD2 3.34Å; C44-W111 HydrophobicContact CB-CH2 3.56Å; C44-W111 HydrophobicContact CB-CZ2 3.87Å; C44-W111 HydrophobicContact CB-CZ3 4.45Å |
| 45 | R | 94.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 118.2 | 176.7 | -58.7 | 179.4 | -176.5 | 118.2 | 8.6 | 109.8 | S12 E20 L51 L52 C54 R59 S61 | S12-R45 PolarHBondContact OG-NH1 3.01Å; E20-R45 HydrophobicContact CB-CG 4.44Å; R45-L51 WeakPolarHBondContact O-CA 3.42Å; R45-L52 HydrophobicContact CB-CB 4.26Å; R45-L52 PolarHBondContact N-O 2.91Å; R45-L52 PolarHBondContact O-N 2.98Å; R45-C54 PolarHBondContact NH1-SG 3.46Å; R45-R59 PolarHBondContact NH2-O 3.45Å; R45-S61 PolarHBondContact NH1-O 3.43Å; R45-S61 PolarHBondContact NH2-O 2.79Å |
| 46 | L | 94.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.3 | 177.6 | 175.1 | 64.4 | 0 | 0 | 0 | 110.4 | S17 S18 F19 I50 L51 L70 W111 H114 L115 A118 | S17-L46 CarbonylContact C-O 3.57Å; S18-L46 WeakPolarHBondContact CB-O 3.45Å; S18-L46 PolarHBondContact N-O 3.43Å; F19-L46 HydrophobicContact CB-CB 4.47Å; F19-L46 HydrophobicContact CB-CD2 4.44Å; F19-L46 PolarHBondContact N-O 2.96Å; F19-L46 WeakPolarHBondContact O-CB 3.49Å; F19-L46 PolarHBondContact O-N 3.36Å; L46-I50 WeakPolarHBondContact CA-O 3.4Å; L46-L51 HydrophobicContact CB-CD1 4.11Å; L46-L51 HydrophobicContact CD1-CB 4.3Å; L46-L70 HydrophobicContact CD1-CD1 3.41Å; L46-L70 VanDerWaalsContact CD1-CD1 3.41Å; L46-W111 HydrophobicContact CB-CZ3 4.17Å; L46-H114 HydrophobicContact CD2-CB 3.9Å; L46-L115 HydrophobicContact CD1-CD2 4.16Å; L46-L115 HydrophobicContact CD2-CD2 4.03Å; L46-L115 HydrophobicContact CD2-CG 4.36Å; L46-A118 HydrophobicContact CD1-CB 3.99Å; L46-A118 HydrophobicContact CD2-CB 4.3Å |
| 47 | K | 90.7 | Very high | 89.1 | Confident | 74 Ų | 74 | 37.8 Ų | 37.8 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 144.2 | 160.6 | 143.4 | 152.3 | -169.5 | 174.9 | 0 | 114.8 | W15 N16 N49 I50 | W15-K47 HydrophobicContact CD2-CD 4.44Å; W15-K47 HydrophobicContact CD2-CG 4.32Å; W15-K47 VanDerWaalsContact CE2-CG 3.48Å; W15-K47 HydrophobicContact CG-CD 4.29Å; W15-K47 HydrophobicContact CZ2-CB 3.37Å; W15-K47 HydrophobicContact CZ2-CD 4.5Å; W15-K47 HydrophobicContact CZ2-CG 3.61Å; W15-K47 WeakPolarHBondContact O-CD 3.44Å; W15-K47 WeakPolarHBondContact O-CE 3.46Å; W15-K47 PolarHBondContact O-NZ 3.38Å; N16-K47 WeakPolarHBondContact O-CD 3.28Å; N16-K47 PolarHBondContact O-NZ 3.02Å; K47-N49 PolarHBondContact O-N 3.44Å; K47-I50 PolarHBondContact N-O 2.75Å; K47-I50 PolarHBondContact O-N 2.78Å |
| 48 | G | 86.9 | Confident | 90.1 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | -124.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | A118 | G48-A118 WeakPolarHBondContact O-CB 3.31Š|
| 49 | N | 88.4 | Confident | 90.4 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 26.5 | 176.6 | 63 | -40.8 | 0 | 0 | 0 | 112.2 | K47 L70 | K47-N49 PolarHBondContact O-N 3.44Å; N49-L70 HydrophobicContact CB-CB 4.24Å; N49-L70 WeakPolarHBondContact O-CB 3.47Å; N49-L70 PolarHBondContact O-N 3.08Å |
| 50 | I | 91.5 | Very high | 90.5 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.6 | -179.8 | -56.9 | 173.8 | 0 | 0 | 0 | 109.2 | W15 L46 K47 L52 V67 L69 | W15-I50 HydrophobicContact CH2-CB 3.83Å; W15-I50 HydrophobicContact CH2-CD1 4.18Å; W15-I50 HydrophobicContact CH2-CG2 3.86Å; W15-I50 HydrophobicContact CZ2-CB 4.45Å; L46-I50 WeakPolarHBondContact CA-O 3.4Å; K47-I50 PolarHBondContact N-O 2.75Å; K47-I50 PolarHBondContact O-N 2.78Å; I50-L52 HydrophobicContact CG2-CD2 4Å; I50-L52 HydrophobicContact CG2-CG 4.34Å; I50-V67 HydrophobicContact CG2-CG1 3.82Å; I50-L69 HydrophobicContact CG1-CD1 4.24Å |
| 51 | L | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.5 | 171.8 | 176 | 70.1 | 0 | 0 | 0 | 109.2 | C44 R45 L46 L53 V68 L70 F100 W111 L115 | C44-L51 HydrophobicContact CB-CD1 4.15Å; R45-L51 WeakPolarHBondContact O-CA 3.42Å; L46-L51 HydrophobicContact CB-CD1 4.11Å; L46-L51 HydrophobicContact CD1-CB 4.3Å; L51-L53 HydrophobicContact CD2-CD2 4.36Å; L51-L53 HydrophobicContact CG-CD2 4.3Å; L51-V68 HydrophobicContact CB-CB 4.2Å; L51-V68 PolarHBondContact N-O 3.39Å; L51-V68 PolarHBondContact O-N 3.45Å; L51-L70 HydrophobicContact CB-CD1 4.19Å; L51-L70 HydrophobicContact CB-CG 4.42Å; L51-F100 HydrophobicContact CD2-CZ 4.21Å; L51-W111 HydrophobicContact CD1-CH2 4.34Å; L51-W111 HydrophobicContact CD1-CZ3 3.94Å; L51-L115 HydrophobicContact CD2-CD2 4.36Å |
| 52 | L | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.9 | 175.4 | -58.6 | 175.6 | 0 | 0 | 0 | 110 | L8 W15 C44 R45 I50 I64 V67 | L8-L52 HydrophobicContact CD2-CD2 3.57Å; L8-L52 HydrophobicContact CG-CD1 4.37Å; L8-L52 HydrophobicContact CG-CD2 4.09Å; W15-L52 HydrophobicContact CH2-CD1 4.28Å; W15-L52 HydrophobicContact CZ3-CD1 4.24Å; C44-L52 CarbonylContact C-O 3.53Å; C44-L52 VanDerWaalsContact CA-O 3.24Å; C44-L52 WeakPolarHBondContact CA-O 3.33Å; R45-L52 HydrophobicContact CB-CB 4.26Å; R45-L52 PolarHBondContact N-O 2.91Å; R45-L52 PolarHBondContact O-N 2.98Å; I50-L52 HydrophobicContact CG2-CD2 4Å; I50-L52 HydrophobicContact CG2-CG 4.34Å; L52-I64 HydrophobicContact CB-CD1 4.47Å; L52-I64 HydrophobicContact CD1-CD1 4.5Å; L52-V67 HydrophobicContact CD2-CB 4.3Å; L52-V67 HydrophobicContact CD2-CG1 3.94Å; L52-V67 HydrophobicContact CD2-CG2 3.7Å |
| 53 | L | 93.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 108.4 | 173.7 | -53.9 | 177.2 | 0 | 0 | 0 | 107.9 | W25 C44 L51 S65 G66 V68 F100 | W25-L53 HydrophobicContact CD2-CD1 3.99Å; W25-L53 HydrophobicContact CE3-CD1 3.63Å; W25-L53 HydrophobicContact CH2-CD1 4.46Å; W25-L53 HydrophobicContact CZ3-CD1 3.86Å; C44-L53 HydrophobicContact CB-CD2 4.41Å; C44-L53 WeakPolarHBondContact SG-CD2 3.34Å; L51-L53 HydrophobicContact CD2-CD2 4.36Å; L51-L53 HydrophobicContact CG-CD2 4.3Å; L53-S65 WeakPolarHBondContact O-CA 3.46Å; L53-S65 VanDerWaalsContact O-CB 3.3Å; L53-S65 WeakPolarHBondContact O-CB 3.4Å; L53-S65 PolarHBondContact O-N 3.39Å; L53-G66 PolarHBondContact N-O 3.47Å; L53-G66 PolarHBondContact O-N 3.5Å; L53-G66 VanDerWaalsContact O-N 3.17Å; L53-V68 HydrophobicContact CD1-CG2 4.33Å; L53-F100 HydrophobicContact CD2-CE1 3.95Å; L53-F100 HydrophobicContact CD2-CZ 4.31Å |
| 54 | C | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.7 | 177.3 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | H42 W43 R45 S56 E63 | H42-C54 WeakPolarHBondContact CB-O 3.33Å; H42-C54 PolarHBondContact CD2-O 2.93Å; W43-C54 HydrophobicContact CB-CB 4.12Å; W43-C54 VanDerWaalsContact O-CB 3.25Å; W43-C54 WeakPolarHBondContact O-CB 3.27Å; W43-C54 PolarHBondContact O-N 3.09Å; W43-C54 PolarHBondContact O-SG 3.07Å; R45-C54 PolarHBondContact NH1-SG 3.46Å; C54-S56 PolarHBondContact O-N 2.88Å; C54-E63 CarbonylContact C-O 3.34Å; C54-E63 VanDerWaalsContact CA-O 3.31Å; C54-E63 WeakPolarHBondContact CA-O 3.27Å |
| 55 | R | 88.9 | Confident | 89.7 | Confident | 171 Ų | 171 | 49.8 Ų | 49.8 | 65% | 0.645 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -62.8 | -32.6 | -177.6 | -168.4 | -176.9 | -175.3 | 94.2 | 1 | 112.6 | E63 | R55-E63 HydrophobicContact CB-CB 4Å; R55-E63 WeakPolarHBondContact CD-OE2 3.22Å; R55-E63 PolarHBondContact N-O 2.93Å |
| 56 | S | 87.1 | Confident | 89.4 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -100.9 | 147.3 | 175.4 | 162.7 | 0 | 0 | 0 | 0 | 110.4 | W43 C54 D58 | W43-S56 WeakPolarHBondContact CB-O 3.4Å; W43-S56 PolarHBondContact N-O 3.32Å; C54-S56 PolarHBondContact O-N 2.88Å; S56-D58 PolarHBondContact O-N 2.93Å; S56-D58 VanDerWaalsContact OG-CB 3.24Å; S56-D58 WeakPolarHBondContact OG-CB 3.45Å; S56-D58 PolarHBondContact OG-N 2.87Å |
| 57 | P | 86.8 | Confident | 89.3 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -72.1 | -2.8 | 169.9 | 32.3 | -36.3 | 0 | 0 | 0 | 113.4 | E41 | E41-P57 HydrophobicContact CB-CB 4.48Å; E41-P57 HydrophobicContact CG-CB 3.89Å |
| 58 | D | 87.1 | Confident | 89.2 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -69.9 | 129.2 | 174.6 | -171.4 | -17.9 | 0 | 0 | 0 | 111.3 | S56 T60 S61 | S56-D58 PolarHBondContact O-N 2.93Å; S56-D58 VanDerWaalsContact OG-CB 3.24Å; S56-D58 WeakPolarHBondContact OG-CB 3.45Å; S56-D58 PolarHBondContact OG-N 2.87Å; D58-T60 PolarHBondContact O-N 3.26Å; D58-T60 VanDerWaalsContact O-N 3.11Å; D58-T60 PolarHBondContact OD1-N 2.7Å; D58-T60 PolarHBondContact OD1-OG1 3.14Å; D58-T60 PolarHBondContact OD2-OG1 2.77Å; D58-S61 WeakPolarHBondContact O-CB 3.4Å; D58-S61 PolarHBondContact O-N 3.29Å |
| 59 | R | 85.2 | Confident | 89.3 | Confident | 141 Ų | 141 | 53 Ų | 53 | 53% | 0.532 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -29.4 | 172.7 | 175.6 | -174.7 | 158.3 | 91.9 | 13 | 113.2 | E20 W43 R45 S61 | E20-R59 IonicContact OE1-CZ 3.41Å; E20-R59 IonicContact OE1-NH1 3.57Å; E20-R59 PolarHBondContact OE1-NH1 3.08Å; E20-R59 IonicContact OE1-NH2 3.51Å; W43-R59 HydrophobicContact CD2-CB 4.04Å; W43-R59 HydrophobicContact CE3-CB 4.21Å; W43-R59 HydrophobicContact CH2-CB 3.89Å; W43-R59 HydrophobicContact CH2-CG 4.16Å; W43-R59 HydrophobicContact CZ2-CB 3.7Å; W43-R59 HydrophobicContact CZ2-CG 3.62Å; W43-R59 HydrophobicContact CZ3-CB 4.13Å; R45-R59 PolarHBondContact NH2-O 3.45Å; R59-S61 VanDerWaalsContact C-N 3.35Å |
| 60 | T | 84.8 | Confident | 89.4 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 4.3 | 179.7 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | D58 N62 | D58-T60 PolarHBondContact O-N 3.26Å; D58-T60 VanDerWaalsContact O-N 3.11Å; D58-T60 PolarHBondContact OD1-N 2.7Å; D58-T60 PolarHBondContact OD1-OG1 3.14Å; D58-T60 PolarHBondContact OD2-OG1 2.77Å; T60-N62 PolarHBondContact O-N 3.19Å; T60-N62 PolarHBondContact O-OD1 3.42Å |
| 61 | S | 86.8 | Confident | 89 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -63.3 | 127.9 | -178.7 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | R45 D58 R59 E63 | R45-S61 PolarHBondContact NH1-O 3.43Å; R45-S61 PolarHBondContact NH2-O 2.79Å; D58-S61 WeakPolarHBondContact O-CB 3.4Å; D58-S61 PolarHBondContact O-N 3.29Å; R59-S61 VanDerWaalsContact C-N 3.35Å; S61-E63 PolarHBondContact OG-N 3.44Å | ||
| 62 | N | 88.1 | Confident | 88.6 | Confident | 79 Ų | 79 | 63 Ų | 63 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | trans | -102.7 | 1 | 175.1 | -61.4 | -8.2 | 0 | 0 | 0 | 111.8 | G9 P13 T60 | G9-N62 WeakPolarHBondContact CA-O 3.49Å; G9-N62 WeakPolarHBondContact O-CB 3.5Å; P13-N62 WeakPolarHBondContact CG-OD1 3.28Å; T60-N62 PolarHBondContact O-N 3.19Å; T60-N62 PolarHBondContact O-OD1 3.42Å | ||
| 63 | E | 89.4 | Confident | 88.4 | Confident | 125 Ų | 125 | 63.2 Ų | 63.2 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | trans | -92.7 | 111.7 | -179.1 | -68.8 | -172.1 | 177.9 | 0 | 0 | 110.3 | C54 R55 S61 | C54-E63 CarbonylContact C-O 3.34Å; C54-E63 VanDerWaalsContact CA-O 3.31Å; C54-E63 WeakPolarHBondContact CA-O 3.27Å; R55-E63 HydrophobicContact CB-CB 4Å; R55-E63 WeakPolarHBondContact CD-OE2 3.22Å; R55-E63 PolarHBondContact N-O 2.93Å; S61-E63 PolarHBondContact OG-N 3.44Å | ||
| 64 | I | 89.8 | Confident | 88.2 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.138 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117.2 | -179.4 | -53.6 | -57.8 | 0 | 0 | 0 | 110.1 | S5 L52 G66 V67 | S5-I64 WeakPolarHBondContact O-CG1 3.14Å; L52-I64 HydrophobicContact CB-CD1 4.47Å; L52-I64 HydrophobicContact CD1-CD1 4.5Å; I64-G66 WeakPolarHBondContact CG2-O 3.46Å; I64-V67 HydrophobicContact CG2-CG2 3.67Å |
| 65 | S | 88.6 | Confident | 88.2 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -36.9 | 173.7 | -176 | 0 | 0 | 0 | 0 | 111.6 | H42 L53 | H42-S65 PolarHBondContact NE2-OG 3.02Å; H42-S65 VanDerWaalsContact NE2-OG 3.12Å; L53-S65 WeakPolarHBondContact O-CA 3.46Å; L53-S65 VanDerWaalsContact O-CB 3.3Å; L53-S65 WeakPolarHBondContact O-CB 3.4Å; L53-S65 PolarHBondContact O-N 3.39Å |
| 66 | G | 89 | Confident | 88.1 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 157.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L53 I64 | L53-G66 PolarHBondContact N-O 3.47Å; L53-G66 PolarHBondContact O-N 3.5Å; L53-G66 VanDerWaalsContact O-N 3.17Å; I64-G66 WeakPolarHBondContact CG2-O 3.46Å |
| 67 | V | 91.7 | Very high | 88 | Confident | 53 Ų | 53 | 65.2 Ų | 65.2 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.5 | 174.1 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | V3 L8 I50 L52 I64 | V3-V67 HydrophobicContact CG1-CG2 4.39Å; L8-V67 HydrophobicContact CD2-CG2 3.96Å; I50-V67 HydrophobicContact CG2-CG1 3.82Å; L52-V67 HydrophobicContact CD2-CB 4.3Å; L52-V67 HydrophobicContact CD2-CG1 3.94Å; L52-V67 HydrophobicContact CD2-CG2 3.7Å; I64-V67 HydrophobicContact CG2-CG2 3.67Å |
| 68 | V | 90.6 | Very high | 87.4 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 11% | 0.109 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.4 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | L51 L53 L70 F91 L98 | L51-V68 HydrophobicContact CB-CB 4.2Å; L51-V68 PolarHBondContact N-O 3.39Å; L51-V68 PolarHBondContact O-N 3.45Å; L53-V68 HydrophobicContact CD1-CG2 4.33Å; V68-L70 HydrophobicContact CG1-CD2 3.95Å; V68-F91 HydrophobicContact CG1-CE1 4.25Å; V68-F91 HydrophobicContact CG1-CZ 3.68Å; V68-L98 HydrophobicContact CB-CD1 4.34Å; V68-L98 HydrophobicContact CG1-CD1 3.74Å; V68-L98 HydrophobicContact CG2-CD1 3.59Å |
| 69 | L | 88.3 | Confident | 86.1 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117.8 | 172 | -156.9 | 89.1 | 0 | 0 | 0 | 108.5 | I50 E71 | I50-L69 HydrophobicContact CG1-CD1 4.24Å; L69-E71 VanDerWaalsContact C-N 3.31Å; L69-E71 HydrophobicContact CD2-CB 4.48Å; L69-E71 HydrophobicContact CD2-CG 3.72Å; L69-E71 WeakPolarHBondContact CD2-OE1 3.39Å; L69-E71 HydrophobicContact CG-CG 4.17Å; L69-E71 PolarHBondContact O-N 3.37Å; L69-E71 VanDerWaalsContact O-N 3.09Å |
| 70 | L | 89.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -88.6 | 67.2 | -174.5 | -64 | 178.7 | 0 | 0 | 0 | 110.7 | L46 N49 L51 V68 F73 L89 L115 A118 | L46-L70 HydrophobicContact CD1-CD1 3.41Å; L46-L70 VanDerWaalsContact CD1-CD1 3.41Å; N49-L70 HydrophobicContact CB-CB 4.24Å; N49-L70 WeakPolarHBondContact O-CB 3.47Å; N49-L70 PolarHBondContact O-N 3.08Å; L51-L70 HydrophobicContact CB-CD1 4.19Å; L51-L70 HydrophobicContact CB-CG 4.42Å; V68-L70 HydrophobicContact CG1-CD2 3.95Å; L70-F73 HydrophobicContact CB-CD1 3.97Å; L70-F73 HydrophobicContact CB-CE1 3.47Å; L70-F73 VanDerWaalsContact CB-CE1 3.47Å; L70-F73 HydrophobicContact CB-CZ 3.83Å; L70-F73 HydrophobicContact CD1-CZ 4.21Å; L70-F73 HydrophobicContact CD2-CD2 4.3Å; L70-F73 HydrophobicContact CD2-CE1 4.29Å; L70-F73 HydrophobicContact CD2-CE2 4.02Å; L70-F73 HydrophobicContact CD2-CZ 4.02Å; L70-F73 HydrophobicContact CG-CE1 4.34Å; L70-F73 HydrophobicContact CG-CZ 4.24Å; L70-F73 WeakPolarHBondContact O-CE1 3.33Å; L70-L89 HydrophobicContact CD2-CD1 4.02Å; L70-L115 HydrophobicContact CD1-CD2 3.63Å; L70-L115 HydrophobicContact CD2-CD2 4.42Å; L70-A118 HydrophobicContact CD1-CB 3.88Å | ||
| 71 | E | 83.7 | Confident | 83.2 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -110.9 | 133.7 | 174.6 | -69.6 | -171.3 | 174.7 | 0 | 0 | 110.7 | L69 F73 L120 | L69-E71 VanDerWaalsContact C-N 3.31Å; L69-E71 HydrophobicContact CD2-CB 4.48Å; L69-E71 HydrophobicContact CD2-CG 3.72Å; L69-E71 WeakPolarHBondContact CD2-OE1 3.39Å; L69-E71 HydrophobicContact CG-CG 4.17Å; L69-E71 PolarHBondContact O-N 3.37Å; L69-E71 VanDerWaalsContact O-N 3.09Å; E71-F73 PolarHBondContact O-N 3.43Å; E71-L120 HydrophobicContact CG-CD2 4.03Å |
| 72 | R | 85.1 | Confident | 82.1 | Confident | 199 Ų | 199 | 84 Ų | 84 | 75% | 0.751 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 46 | 62.4 | 175.7 | -59.8 | -175.4 | -176 | -179.8 | 1 | 112.7 | D92 | R72-D92 HydrophobicContact CB-CB 4.03Å; R72-D92 PolarHBondContact O-N 3.48Å |
| 73 | F | 90.4 | Very high | 81.5 | Confident | 5 Ų | 5 | 82.3 Ų | 82.3 | 2% | 0.022 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.6 | -177.5 | 76.6 | -72.7 | 0 | 0 | 0 | 111.2 | L70 E71 V75 L89 D90 F91 L115 Q119 | L70-F73 HydrophobicContact CB-CD1 3.97Å; L70-F73 HydrophobicContact CB-CE1 3.47Å; L70-F73 VanDerWaalsContact CB-CE1 3.47Å; L70-F73 HydrophobicContact CB-CZ 3.83Å; L70-F73 HydrophobicContact CD1-CZ 4.21Å; L70-F73 HydrophobicContact CD2-CD2 4.3Å; L70-F73 HydrophobicContact CD2-CE1 4.29Å; L70-F73 HydrophobicContact CD2-CE2 4.02Å; L70-F73 HydrophobicContact CD2-CZ 4.02Å; L70-F73 HydrophobicContact CG-CE1 4.34Å; L70-F73 HydrophobicContact CG-CZ 4.24Å; L70-F73 WeakPolarHBondContact O-CE1 3.33Å; E71-F73 PolarHBondContact O-N 3.43Å; F73-V75 HydrophobicContact CD2-CG2 3.94Å; F73-V75 HydrophobicContact CE2-CG2 3.45Å; F73-V75 VanDerWaalsContact CE2-CG2 3.45Å; F73-V75 HydrophobicContact CZ-CG2 4.48Å; F73-L89 HydrophobicContact CD2-CD2 4.11Å; F73-L89 HydrophobicContact CE2-CD2 4.15Å; F73-D90 CarbonylContact C-O 3.51Å; F73-D90 WeakPolarHBondContact CA-O 3.21Å; F73-D90 WeakPolarHBondContact CB-O 3.29Å; F73-F91 HydrophobicContact CB-CD1 3.69Å; F73-F91 HydrophobicContact CB-CE1 3.88Å; F73-F91 HydrophobicContact CB-CG 4.35Å; F73-F91 HydrophobicContact CG-CE1 4.48Å; F73-L115 HydrophobicContact CE2-CB 4.41Å; F73-L115 VanDerWaalsContact CZ-O 3.28Å; F73-L115 WeakPolarHBondContact CZ-O 3.48Å; F73-Q119 HydrophobicContact CD1-CG 4.38Å; F73-Q119 HydrophobicContact CE1-CB 4.48Å; F73-Q119 HydrophobicContact CE1-CG 3.69Å; F73-Q119 HydrophobicContact CZ-CG 4Å; F73-Q119 PolarHBondContact O-NE2 3.5Å |
| 74 | T | 89.1 | Confident | 81.1 | Confident | 71 Ų | 71 | 80.3 Ų | 80.3 | 44% | 0.436 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 146.8 | 172.1 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | L89 D90 | T74-L89 WeakPolarHBondContact O-CA 3.39Å; T74-D90 PolarHBondContact N-O 2.92Å; T74-D90 PolarHBondContact O-N 3.49Å |
| 75 | V | 91.9 | Very high | 81 | Confident | 22 Ų | 22 | 84.4 Ų | 84.4 | 13% | 0.133 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.8 | 175.9 | -168.6 | 0 | 0 | 0 | 0 | 108.3 | F73 F87 R88 L89 C112 L115 N116 | F73-V75 HydrophobicContact CD2-CG2 3.94Å; F73-V75 HydrophobicContact CE2-CG2 3.45Å; F73-V75 VanDerWaalsContact CE2-CG2 3.45Å; F73-V75 HydrophobicContact CZ-CG2 4.48Å; V75-F87 HydrophobicContact CG1-CD2 4.21Å; V75-R88 WeakPolarHBondContact CA-O 3.39Å; V75-L89 HydrophobicContact CB-CD2 4.22Å; V75-L89 HydrophobicContact CG1-CD2 3.96Å; V75-L89 HydrophobicContact CG2-CD2 3.65Å; V75-C112 HydrophobicContact CG1-CB 4.07Å; V75-L115 HydrophobicContact CG2-CB 3.84Å; V75-N116 WeakPolarHBondContact CG2-OD1 3.37Å |
| 76 | S | 87.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.9 | 178.8 | 60.8 | 0 | 0 | 0 | 0 | 111 | F87 R88 | S76-F87 CarbonylContact O-C 3.49Å; S76-F87 WeakPolarHBondContact O-CA 3.28Å; S76-R88 PolarHBondContact N-O 3Å; S76-R88 PolarHBondContact O-N 2.87Å |
| 77 | R | 84.4 | Confident | 81.2 | Confident | 116 Ų | 116 | 81.7 Ų | 81.7 | 44% | 0.438 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 129.5 | 168.4 | -70.6 | -167.4 | -174.3 | 177.9 | 6.9 | 108.3 | E105 E109 | R77-E105 IonicContact NH1-OE1 3.21Å; R77-E109 IonicContact CZ-OE2 3.55Å; R77-E109 IonicContact NH2-OE2 3.92Å; R77-E109 PolarHBondContact NH2-OE2 2.86Å |
| 78 | T | 73.7 | Confident | 81.3 | Confident | 42 Ų | 42 | 83.4 Ų | 83.4 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | trans | -86.4 | 120 | 179.4 | -37.1 | 0 | 0 | 0 | 0 | 107.9 | D80 S86 | T78-D80 HydrophobicContact CG2-CB 4.18Å; T78-D80 PolarHBondContact O-N 2.85Å; T78-S86 PolarHBondContact N-O 2.93Å; T78-S86 VanDerWaalsContact N-O 3.14Å | ||
| 79 | R | 60.7 | Low | 81.4 | Confident | 246 Ų | 246 | 82.5 Ų | 82.5 | 93% | 0.928 | 39% | 0.385 | S | S | * | . | trans | -90.9 | 42 | 172.5 | -64.3 | -173.2 | -177.4 | -173.5 | 0.4 | 110.8 | E81 | R79-E81 PolarHBondContact O-N 2.62Š| ||
| 80 | D | 56.1 | Low | 81.5 | Confident | 101 Ų | 101 | 81.1 Ų | 81.1 | 54% | 0.54 | 38% | 0.378 | S | S | . | . | trans | -73.6 | 120.3 | 168.1 | -99.9 | -25.8 | 0 | 0 | 0 | 107 | T78 E82 I83 | T78-D80 HydrophobicContact CG2-CB 4.18Å; T78-D80 PolarHBondContact O-N 2.85Å; D80-E82 PolarHBondContact O-N 3.46Å; D80-I83 PolarHBondContact O-N 3.01Å | ||
| 81 | E | 52.9 | Low | 81.6 | Confident | 204 Ų | 204 | 82.5 Ų | 82.5 | 95% | 0.953 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -15.4 | -178.6 | -66.3 | -178.3 | 167.3 | 0 | 0 | 113 | R79 | R79-E81 PolarHBondContact O-N 2.62Š|
| 82 | E | 62.9 | Low | 81.7 | Confident | 181 Ų | 181 | 83.7 Ų | 83.7 | 85% | 0.846 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -19 | -174.8 | -66.5 | -172 | 161.5 | 0 | 0 | 115.5 | D80 | D80-E82 PolarHBondContact O-N 3.46Š|
| 83 | I | 75.9 | Confident | 81.5 | Confident | 44 Ų | 44 | 78.1 Ų | 78.1 | 23% | 0.226 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -137.4 | 95.4 | -172.4 | -47.4 | 178.3 | 0 | 0 | 0 | 111.9 | F39 D80 S86 V101 | F39-I83 HydrophobicContact CE2-CD1 3.61Å; F39-I83 HydrophobicContact CZ-CD1 3.65Å; D80-I83 PolarHBondContact O-N 3.01Å; I83-S86 WeakPolarHBondContact O-CB 3.4Å; I83-S86 PolarHBondContact O-OG 3.19Å; I83-V101 HydrophobicContact CG2-CG1 4.15Å; I83-V101 HydrophobicContact CG2-CG2 3.51Å |
| 84 | S | 80.3 | Confident | 81 | Confident | 84 Ų | 84 | 81.1 Ų | 81.1 | 59% | 0.587 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 142.1 | 174.1 | -54 | 0 | 0 | 0 | 0 | 112.2 | S86 V101 | S84-S86 VanDerWaalsContact C-N 3.26Å; S84-S86 PolarHBondContact O-N 3.47Å; S84-V101 WeakPolarHBondContact O-CG1 3.42Å |
| 85 | Y | 88.4 | Confident | 80.8 | Confident | 112 Ų | 112 | 82.9 Ų | 82.9 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 23.6 | 174.1 | -32 | -51.3 | 0 | 0 | 0 | 115.3 | A102 E105 | Y85-A102 PolarHBondContact O-N 2.82Å; Y85-A102 VanDerWaalsContact O-N 3.17Å; Y85-E105 HydrophobicContact CD1-CB 3.77Å; Y85-E105 VanDerWaalsContact CD1-N 3.33Å; Y85-E105 HydrophobicContact CE1-CB 3.94Å |
| 86 | S | 90.2 | Very high | 80.5 | Confident | 8 Ų | 8 | 89.6 Ų | 89.6 | 6% | 0.056 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 145.1 | 179.5 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | T78 I83 S84 F100 | T78-S86 PolarHBondContact N-O 2.93Å; T78-S86 VanDerWaalsContact N-O 3.14Å; I83-S86 WeakPolarHBondContact O-CB 3.4Å; I83-S86 PolarHBondContact O-OG 3.19Å; S84-S86 VanDerWaalsContact C-N 3.26Å; S84-S86 PolarHBondContact O-N 3.47Å; S86-F100 CarbonylContact C-O 3.56Å; S86-F100 VanDerWaalsContact CA-O 3.3Å; S86-F100 WeakPolarHBondContact CA-O 3.45Å |
| 87 | F | 92.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 89.6 Ų | 89.6 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 158.9 | 173.4 | 65.3 | -89 | 0 | 0 | 0 | 111 | L23 V75 S76 F100 A102 A108 W111 L115 | L23-F87 HydrophobicContact CD1-CZ 3.95Å; L23-F87 HydrophobicContact CD2-CE1 3.75Å; L23-F87 HydrophobicContact CD2-CZ 3.74Å; V75-F87 HydrophobicContact CG1-CD2 4.21Å; S76-F87 CarbonylContact O-C 3.49Å; S76-F87 WeakPolarHBondContact O-CA 3.28Å; F87-F100 HydrophobicContact CD1-CB 4.37Å; F87-F100 HydrophobicContact CD2-CB 4.25Å; F87-F100 HydrophobicContact CE1-CB 3.85Å; F87-F100 HydrophobicContact CE2-CB 3.71Å; F87-F100 AromaticContact CE2-CD2 3.9Å; F87-F100 HydrophobicContact CE2-CD2 3.9Å; F87-F100 HydrophobicContact CE2-CG 4.11Å; F87-F100 HydrophobicContact CZ-CB 3.49Å; F87-F100 VanDerWaalsContact CZ-CB 3.49Å; F87-F100 HydrophobicContact CZ-CD2 4.38Å; F87-F100 HydrophobicContact CZ-CG 4.15Å; F87-F100 PolarHBondContact N-O 3.35Å; F87-F100 PolarHBondContact O-N 3.14Å; F87-F100 VanDerWaalsContact O-O 3.13Å; F87-A102 HydrophobicContact CE1-CB 4.48Å; F87-A108 HydrophobicContact CD1-CB 4.4Å; F87-W111 HydrophobicContact CE1-CB 3.99Å; F87-W111 HydrophobicContact CE1-CG 4.48Å; F87-W111 HydrophobicContact CZ-CB 3.78Å; F87-W111 HydrophobicContact CZ-CG 4.21Å; F87-L115 HydrophobicContact CD2-CD1 4.47Å; F87-L115 HydrophobicContact CE2-CD1 3.65Å; F87-L115 HydrophobicContact CZ-CD1 4.27Å |
| 88 | R | 92 | Very high | 80.8 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.7 | -173 | 176 | 176 | 157.3 | 160.4 | -1 | 111.7 | V75 S76 D90 P97 L98 V99 | V75-R88 WeakPolarHBondContact CA-O 3.39Å; S76-R88 PolarHBondContact N-O 3Å; S76-R88 PolarHBondContact O-N 2.87Å; R88-D90 IonicContact CZ-OD1 3.49Å; R88-D90 IonicContact CZ-OD2 3.4Å; R88-D90 VanDerWaalsContact NE-CG 3.31Å; R88-D90 IonicContact NE-OD1 2.62Å; R88-D90 PolarHBondContact NE-OD1 2.98Å; R88-D90 IonicContact NE-OD2 3.5Å; R88-D90 PolarHBondContact NE-OD2 3.35Å; R88-D90 VanDerWaalsContact NE-OD2 3.14Å; R88-D90 IonicContact NH2-OD1 3.78Å; R88-D90 PolarHBondContact NH2-OD1 2.99Å; R88-P97 HydrophobicContact CG-CB 3.84Å; R88-P97 VanDerWaalsContact NH2-CB 3.33Å; R88-P97 VanDerWaalsContact NH2-CG 3.26Å; R88-L98 CarbonylContact C-O 3.52Å; R88-L98 VanDerWaalsContact CA-O 3.28Å; R88-L98 WeakPolarHBondContact CA-O 3.46Å; R88-V99 HydrophobicContact CB-CG2 4.41Å; R88-V99 HydrophobicContact CG-CG2 4.21Å |
| 89 | L | 93.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.7 | 169.5 | -51.4 | -176.9 | 0 | 0 | 0 | 109.4 | L70 F73 T74 V75 F91 P97 L98 F100 L115 | L70-L89 HydrophobicContact CD2-CD1 4.02Å; F73-L89 HydrophobicContact CD2-CD2 4.11Å; F73-L89 HydrophobicContact CE2-CD2 4.15Å; T74-L89 WeakPolarHBondContact O-CA 3.39Å; V75-L89 HydrophobicContact CB-CD2 4.22Å; V75-L89 HydrophobicContact CG1-CD2 3.96Å; V75-L89 HydrophobicContact CG2-CD2 3.65Å; L89-F91 HydrophobicContact CB-CE2 4.1Å; L89-F91 HydrophobicContact CB-CZ 4.24Å; L89-P97 WeakPolarHBondContact O-CA 3.43Å; L89-L98 HydrophobicContact CB-CB 4.3Å; L89-L98 PolarHBondContact N-O 3.29Å; L89-L98 PolarHBondContact O-N 3.02Å; L89-F100 HydrophobicContact CD1-CD2 4.39Å; L89-F100 HydrophobicContact CD1-CE2 3.73Å; L89-F100 HydrophobicContact CG-CD2 4.35Å; L89-F100 HydrophobicContact CG-CE2 4.09Å; L89-L115 HydrophobicContact CD2-CD1 4.12Å |
| 90 | D | 91.2 | Very high | 83.1 | Confident | 40 Ų | 40 | 73 Ų | 73 | 21% | 0.214 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.3 | 176.2 | -73.8 | -68.9 | 0 | 0 | 0 | 109.7 | F73 T74 R88 | F73-D90 CarbonylContact C-O 3.51Å; F73-D90 WeakPolarHBondContact CA-O 3.21Å; F73-D90 WeakPolarHBondContact CB-O 3.29Å; T74-D90 PolarHBondContact N-O 2.92Å; T74-D90 PolarHBondContact O-N 3.49Å; R88-D90 IonicContact CZ-OD1 3.49Å; R88-D90 IonicContact CZ-OD2 3.4Å; R88-D90 VanDerWaalsContact NE-CG 3.31Å; R88-D90 IonicContact NE-OD1 2.62Å; R88-D90 PolarHBondContact NE-OD1 2.98Å; R88-D90 IonicContact NE-OD2 3.5Å; R88-D90 PolarHBondContact NE-OD2 3.35Å; R88-D90 VanDerWaalsContact NE-OD2 3.14Å; R88-D90 IonicContact NH2-OD1 3.78Å; R88-D90 PolarHBondContact NH2-OD1 2.99Å |
| 91 | F | 90.9 | Very high | 84.8 | Confident | 29 Ų | 29 | 69 Ų | 69 | 13% | 0.127 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132 | -177.1 | -61.6 | -89 | 0 | 0 | 0 | 111 | V68 F73 L89 S93 G94 D95 L98 | V68-F91 HydrophobicContact CG1-CE1 4.25Å; V68-F91 HydrophobicContact CG1-CZ 3.68Å; F73-F91 HydrophobicContact CB-CD1 3.69Å; F73-F91 HydrophobicContact CB-CE1 3.88Å; F73-F91 HydrophobicContact CB-CG 4.35Å; F73-F91 HydrophobicContact CG-CE1 4.48Å; L89-F91 HydrophobicContact CB-CE2 4.1Å; L89-F91 HydrophobicContact CB-CZ 4.24Å; F91-S93 WeakPolarHBondContact CB-OG 3.29Å; F91-S93 PolarHBondContact O-N 3.25Å; F91-S93 VanDerWaalsContact O-N 3.13Å; F91-G94 PolarHBondContact O-N 3.45Å; F91-G94 VanDerWaalsContact O-N 3.15Å; F91-D95 HydrophobicContact CB-CB 4.18Å; F91-D95 HydrophobicContact CD2-CB 4.39Å; F91-D95 HydrophobicContact CG-CB 4.47Å; F91-L98 HydrophobicContact CE2-CD1 4.01Å; F91-L98 HydrophobicContact CE2-CG 4.04Å; F91-L98 HydrophobicContact CZ-CD1 4.14Å |
| 92 | D | 84.7 | Confident | 86.6 | Confident | 117 Ų | 117 | 59.4 Ų | 59.4 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.1 | 178.7 | -60.9 | -17.1 | 0 | 0 | 0 | 112.5 | R72 G94 | R72-D92 HydrophobicContact CB-CB 4.03Å; R72-D92 PolarHBondContact O-N 3.48Å; D92-G94 PolarHBondContact O-N 3Å |
| 93 | S | 81.4 | Confident | 87.8 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.9 | 175.1 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | F91 D95 | F91-S93 WeakPolarHBondContact CB-OG 3.29Å; F91-S93 PolarHBondContact O-N 3.25Å; F91-S93 VanDerWaalsContact O-N 3.13Å; S93-D95 VanDerWaalsContact C-N 3.3Å; S93-D95 WeakPolarHBondContact OG-CB 3.29Å; S93-D95 PolarHBondContact OG-N 3.44Å; S93-D95 PolarHBondContact OG-OD2 3.41Å |
| 94 | G | 81.3 | Confident | 88.4 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 71% | 0.711 | 31% | 0.309 | S | S | * | . | trans | 82.1 | 8.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.5 | F91 D92 | F91-G94 PolarHBondContact O-N 3.45Å; F91-G94 VanDerWaalsContact O-N 3.15Å; D92-G94 PolarHBondContact O-N 3Å | ||
| 95 | D | 83.6 | Confident | 88.8 | Confident | 107 Ų | 107 | 58.7 Ų | 58.7 | 57% | 0.572 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 152.4 | 171.9 | -72.9 | -45.3 | 0 | 0 | 0 | 111.2 | F91 S93 | F91-D95 HydrophobicContact CB-CB 4.18Å; F91-D95 HydrophobicContact CD2-CB 4.39Å; F91-D95 HydrophobicContact CG-CB 4.47Å; S93-D95 VanDerWaalsContact C-N 3.3Å; S93-D95 WeakPolarHBondContact OG-CB 3.29Å; S93-D95 PolarHBondContact OG-N 3.44Å; S93-D95 PolarHBondContact OG-OD2 3.41Å |
| 96 | K | 85.2 | Confident | 88.9 | Confident | 164 Ų | 164 | 57.6 Ų | 57.6 | 71% | 0.713 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 137 | 179.7 | -74.6 | 176.7 | -177.1 | 162.5 | 0 | 110.1 | ||
| 97 | P | 87.5 | Confident | 89 | Confident | 47 Ų | 47 | 59 Ų | 59 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 144.6 | 177.9 | 30.2 | -40.4 | 0 | 0 | 0 | 112 | R88 L89 | R88-P97 HydrophobicContact CG-CB 3.84Å; R88-P97 VanDerWaalsContact NH2-CB 3.33Å; R88-P97 VanDerWaalsContact NH2-CG 3.26Å; L89-P97 WeakPolarHBondContact O-CA 3.43Å |
| 98 | L | 91.6 | Very high | 88.9 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.2 | 173.2 | -58.9 | 176.9 | 0 | 0 | 0 | 109.3 | W25 V68 R88 L89 F91 F100 | W25-L98 HydrophobicContact CZ2-CD2 4.25Å; V68-L98 HydrophobicContact CB-CD1 4.34Å; V68-L98 HydrophobicContact CG1-CD1 3.74Å; V68-L98 HydrophobicContact CG2-CD1 3.59Å; R88-L98 CarbonylContact C-O 3.52Å; R88-L98 VanDerWaalsContact CA-O 3.28Å; R88-L98 WeakPolarHBondContact CA-O 3.46Å; L89-L98 HydrophobicContact CB-CB 4.3Å; L89-L98 PolarHBondContact N-O 3.29Å; L89-L98 PolarHBondContact O-N 3.02Å; F91-L98 HydrophobicContact CE2-CD1 4.01Å; F91-L98 HydrophobicContact CE2-CG 4.04Å; F91-L98 HydrophobicContact CZ-CD1 4.14Å; L98-F100 HydrophobicContact CB-CD2 4.39Å; L98-F100 HydrophobicContact CB-CE2 3.62Å; L98-F100 HydrophobicContact CB-CZ 4.14Å; L98-F100 HydrophobicContact CD1-CE2 4.39Å; L98-F100 HydrophobicContact CD1-CZ 4.39Å |
| 99 | V | 90.1 | Very high | 88.9 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.3 | 178.9 | -178 | 0 | 0 | 0 | 0 | 109.2 | K26 F39 R88 | K26-V99 HydrophobicContact CB-CB 3.92Å; K26-V99 HydrophobicContact CB-CG1 4.47Å; K26-V99 HydrophobicContact CD-CB 4.06Å; K26-V99 HydrophobicContact CD-CG1 4.31Å; K26-V99 HydrophobicContact CD-CG2 4.38Å; K26-V99 PolarHBondContact N-O 3.23Å; F39-V99 HydrophobicContact CE1-CG1 4.43Å; R88-V99 HydrophobicContact CB-CG2 4.41Å; R88-V99 HydrophobicContact CG-CG2 4.21Å |
| 100 | F | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 152.7 | 179.1 | -64.2 | -81.5 | 0 | 0 | 0 | 111 | L23 Y24 W25 L51 L53 S86 F87 L89 L98 | L23-F100 HydrophobicContact CB-CD1 4.01Å; L23-F100 HydrophobicContact CD1-CB 4.41Å; L23-F100 HydrophobicContact CD1-CD1 3.95Å; L23-F100 HydrophobicContact CD1-CE1 4.48Å; L23-F100 HydrophobicContact CD1-CG 4.21Å; L23-F100 HydrophobicContact CD2-CB 4.43Å; Y24-F100 CarbonylContact O-C 3.59Å; Y24-F100 VanDerWaalsContact O-CA 3.23Å; Y24-F100 WeakPolarHBondContact O-CA 3.33Å; W25-F100 HydrophobicContact CB-CD1 3.95Å; W25-F100 HydrophobicContact CB-CE1 3.78Å; W25-F100 AromaticContact CD1-CE1 3.88Å; W25-F100 HydrophobicContact CG-CD1 4.37Å; W25-F100 AromaticContact CG-CE1 3.88Å; W25-F100 HydrophobicContact CG-CE1 3.88Å; L51-F100 HydrophobicContact CD2-CZ 4.21Å; L53-F100 HydrophobicContact CD2-CE1 3.95Å; L53-F100 HydrophobicContact CD2-CZ 4.31Å; S86-F100 CarbonylContact C-O 3.56Å; S86-F100 VanDerWaalsContact CA-O 3.3Å; S86-F100 WeakPolarHBondContact CA-O 3.45Å; F87-F100 HydrophobicContact CD1-CB 4.37Å; F87-F100 HydrophobicContact CD2-CB 4.25Å; F87-F100 HydrophobicContact CE1-CB 3.85Å; F87-F100 HydrophobicContact CE2-CB 3.71Å; F87-F100 AromaticContact CE2-CD2 3.9Å; F87-F100 HydrophobicContact CE2-CD2 3.9Å; F87-F100 HydrophobicContact CE2-CG 4.11Å; F87-F100 HydrophobicContact CZ-CB 3.49Å; F87-F100 VanDerWaalsContact CZ-CB 3.49Å; F87-F100 HydrophobicContact CZ-CD2 4.38Å; F87-F100 HydrophobicContact CZ-CG 4.15Å; F87-F100 PolarHBondContact N-O 3.35Å; F87-F100 PolarHBondContact O-N 3.14Å; F87-F100 VanDerWaalsContact O-O 3.13Å; L89-F100 HydrophobicContact CD1-CD2 4.39Å; L89-F100 HydrophobicContact CD1-CE2 3.73Å; L89-F100 HydrophobicContact CG-CD2 4.35Å; L89-F100 HydrophobicContact CG-CE2 4.09Å; L98-F100 HydrophobicContact CB-CD2 4.39Å; L98-F100 HydrophobicContact CB-CE2 3.62Å; L98-F100 HydrophobicContact CB-CZ 4.14Å; L98-F100 HydrophobicContact CD1-CE2 4.39Å; L98-F100 HydrophobicContact CD1-CZ 4.39Å |
| 101 | V | 90.8 | Very high | 89.2 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 11% | 0.109 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.8 | 172 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | Y24 F39 I83 S84 | Y24-V101 HydrophobicContact CD2-CB 4.49Å; Y24-V101 WeakPolarHBondContact CD2-O 3.39Å; Y24-V101 PolarHBondContact N-O 3.13Å; Y24-V101 PolarHBondContact O-N 3.47Å; F39-V101 HydrophobicContact CD1-CG2 3.92Å; F39-V101 HydrophobicContact CE1-CG2 3.46Å; F39-V101 VanDerWaalsContact CE1-CG2 3.46Å; F39-V101 HydrophobicContact CZ-CG2 3.93Å; I83-V101 HydrophobicContact CG2-CG1 4.15Å; I83-V101 HydrophobicContact CG2-CG2 3.51Å; S84-V101 WeakPolarHBondContact O-CG1 3.42Å |
| 102 | A | 91.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | trans | -92.8 | 167.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L23 Y85 F87 S104 E107 A108 | L23-A102 HydrophobicContact CD2-CB 4.19Å; Y85-A102 PolarHBondContact O-N 2.82Å; Y85-A102 VanDerWaalsContact O-N 3.17Å; F87-A102 HydrophobicContact CE1-CB 4.48Å; A102-S104 VanDerWaalsContact C-N 3.34Å; A102-E107 HydrophobicContact CB-CB 3.85Å; A102-A108 HydrophobicContact CB-CB 3.83Å | ||
| 103 | R | 88.3 | Confident | 89.7 | Confident | 135 Ų | 135 | 60.8 Ų | 60.8 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -79.8 | -18.6 | -177.9 | -57.4 | -179.3 | -63.6 | 168.6 | 1.5 | 113.4 | Y24 E107 | Y24-R103 HydrophobicContact CE2-CG 4.11Å; R103-E107 VanDerWaalsContact CB-OE2 3.28Å; R103-E107 WeakPolarHBondContact CB-OE2 3.3Å; R103-E107 IonicContact CZ-OE1 3.27Å; R103-E107 PolarHBondContact N-OE2 2.97Å; R103-E107 IonicContact NE-OE1 3.51Å; R103-E107 PolarHBondContact NE-OE1 3Å; R103-E107 IonicContact NE-OE2 2.65Å; R103-E107 PolarHBondContact NE-OE2 3.42Å; R103-E107 IonicContact NH2-OE1 3.28Å; R103-E107 PolarHBondContact NH2-OE1 3.34Å |
| 104 | S | 88.6 | Confident | 90.4 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -149 | 164.6 | 178.2 | 70.2 | 0 | 0 | 0 | 0 | 110.9 | A102 D106 E107 A108 | A102-S104 VanDerWaalsContact C-N 3.34Å; S104-D106 VanDerWaalsContact C-N 3.33Å; S104-D106 PolarHBondContact O-N 3.4Å; S104-E107 PolarHBondContact O-N 2.86Å; S104-E107 PolarHBondContact OG-N 2.97Å; S104-E107 VanDerWaalsContact OG-N 3.13Å; S104-A108 PolarHBondContact O-N 3.28Å |
| 105 | E | 88.3 | Confident | 91 | Very high | 118 Ų | 118 | 56.2 Ų | 56.2 | 55% | 0.551 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 174.9 | -174.9 | 167.3 | -159.2 | 0 | 0 | 112.3 | R77 Y85 E107 A108 E109 | R77-E105 IonicContact NH1-OE1 3.21Å; Y85-E105 HydrophobicContact CD1-CB 3.77Å; Y85-E105 VanDerWaalsContact CD1-N 3.33Å; Y85-E105 HydrophobicContact CE1-CB 3.94Å; E105-E107 PolarHBondContact O-N 3.41Å; E105-A108 PolarHBondContact O-N 3.36Å; E105-E109 PolarHBondContact O-N 3.25Å |
| 106 | D | 90.8 | Very high | 91.3 | Very high | 88 Ų | 88 | 54.7 Ų | 54.7 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 176.2 | 175.2 | 66.9 | 0 | 0 | 0 | 112.1 | S104 E109 K110 | S104-D106 VanDerWaalsContact C-N 3.33Å; S104-D106 PolarHBondContact O-N 3.4Å; D106-E109 PolarHBondContact O-N 3.07Å; D106-K110 WeakPolarHBondContact O-CG 3.38Å; D106-K110 PolarHBondContact O-N 3.37Å; D106-K110 WeakPolarHBondContact OD1-CE 3.4Å; D106-K110 IonicContact OD1-NZ 2.81Å; D106-K110 VanDerWaalsContact OD2-CE 3.28Å; D106-K110 WeakPolarHBondContact OD2-CE 3.24Å; D106-K110 IonicContact OD2-NZ 3.91Å; D106-K110 PolarHBondContact OD2-NZ 3.3Å |
| 107 | E | 92.1 | Very high | 91.4 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 173.5 | -79 | -171 | 170.9 | 0 | 0 | 112 | A102 R103 S104 E105 E109 K110 W111 | A102-E107 HydrophobicContact CB-CB 3.85Å; R103-E107 VanDerWaalsContact CB-OE2 3.28Å; R103-E107 WeakPolarHBondContact CB-OE2 3.3Å; R103-E107 IonicContact CZ-OE1 3.27Å; R103-E107 PolarHBondContact N-OE2 2.97Å; R103-E107 IonicContact NE-OE1 3.51Å; R103-E107 PolarHBondContact NE-OE1 3Å; R103-E107 IonicContact NE-OE2 2.65Å; R103-E107 PolarHBondContact NE-OE2 3.42Å; R103-E107 IonicContact NH2-OE1 3.28Å; R103-E107 PolarHBondContact NH2-OE1 3.34Å; S104-E107 PolarHBondContact O-N 2.86Å; S104-E107 PolarHBondContact OG-N 2.97Å; S104-E107 VanDerWaalsContact OG-N 3.13Å; E105-E107 PolarHBondContact O-N 3.41Å; E107-E109 VanDerWaalsContact C-N 3.26Å; E107-E109 PolarHBondContact O-N 3.31Å; E107-K110 PolarHBondContact O-N 3.38Å; E107-W111 WeakPolarHBondContact O-CB 3.28Å; E107-W111 VanDerWaalsContact O-CD1 3.26Å; E107-W111 PolarHBondContact O-N 2.88Å |
| 108 | A | 90 | Very high | 91.5 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F87 A102 S104 E105 C112 | F87-A108 HydrophobicContact CD1-CB 4.4Å; A102-A108 HydrophobicContact CB-CB 3.83Å; S104-A108 PolarHBondContact O-N 3.28Å; E105-A108 PolarHBondContact O-N 3.36Å; A108-C112 WeakPolarHBondContact O-CB 3.35Å; A108-C112 PolarHBondContact O-N 3.14Å; A108-C112 PolarHBondContact O-SG 2.75Å |
| 109 | E | 92.1 | Very high | 91.2 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.1 | -49 | 176.1 | -170.9 | 153.7 | 164.2 | 0 | 0 | 112.5 | R77 E105 D106 E107 W111 C112 H113 | R77-E109 IonicContact CZ-OE2 3.55Å; R77-E109 IonicContact NH2-OE2 3.92Å; R77-E109 PolarHBondContact NH2-OE2 2.86Å; E105-E109 PolarHBondContact O-N 3.25Å; D106-E109 PolarHBondContact O-N 3.07Å; E107-E109 VanDerWaalsContact C-N 3.26Å; E107-E109 PolarHBondContact O-N 3.31Å; E109-W111 PolarHBondContact O-N 3.21Å; E109-C112 PolarHBondContact O-N 2.88Å; E109-H113 WeakPolarHBondContact O-CB 3.48Å; E109-H113 PolarHBondContact O-N 3.36Å |
| 110 | K | 95.1 | Very high | 90.7 | Very high | 91 Ų | 91 | 53.5 Ų | 53.5 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 177.4 | -73.1 | 168.5 | 179.1 | 166.6 | 0 | 111.4 | F19 D106 E107 H113 H114 | F19-K110 HydrophobicContact CE1-CB 4.24Å; F19-K110 HydrophobicContact CE2-CB 4.26Å; F19-K110 HydrophobicContact CZ-CB 3.66Å; D106-K110 WeakPolarHBondContact O-CG 3.38Å; D106-K110 PolarHBondContact O-N 3.37Å; D106-K110 WeakPolarHBondContact OD1-CE 3.4Å; D106-K110 IonicContact OD1-NZ 2.81Å; D106-K110 VanDerWaalsContact OD2-CE 3.28Å; D106-K110 WeakPolarHBondContact OD2-CE 3.24Å; D106-K110 IonicContact OD2-NZ 3.91Å; D106-K110 PolarHBondContact OD2-NZ 3.3Å; E107-K110 PolarHBondContact O-N 3.38Å; K110-H113 PolarHBondContact O-N 3.05Å; K110-H114 PolarHBondContact O-CD2 3.02Å; K110-H114 PolarHBondContact O-N 3.1Å |
| 111 | W | 95.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 176.1 | -87.4 | 111.8 | 0 | 0 | 0 | 112 | F19 L23 C44 L46 L51 F87 E107 E109 H113 H114 L115 | F19-W111 AromaticContact CD1-CD2 3.61Å; F19-W111 HydrophobicContact CD1-CD2 3.61Å; F19-W111 AromaticContact CD1-CE2 3.78Å; F19-W111 AromaticContact CD1-CE3 3.62Å; F19-W111 HydrophobicContact CD1-CE3 3.62Å; F19-W111 HydrophobicContact CD1-CG 4.24Å; F19-W111 AromaticContact CD1-CH2 3.94Å; F19-W111 HydrophobicContact CD1-CH2 3.94Å; F19-W111 AromaticContact CD1-CZ2 3.95Å; F19-W111 HydrophobicContact CD1-CZ2 3.95Å; F19-W111 AromaticContact CD1-CZ3 3.78Å; F19-W111 HydrophobicContact CD1-CZ3 3.78Å; F19-W111 AromaticContact CE1-CD1 3.83Å; F19-W111 AromaticContact CE1-CD2 3.52Å; F19-W111 HydrophobicContact CE1-CD2 3.52Å; F19-W111 AromaticContact CE1-CE2 3.53Å; F19-W111 HydrophobicContact CE1-CE3 4.04Å; F19-W111 AromaticContact CE1-CG 3.74Å; F19-W111 HydrophobicContact CE1-CG 3.74Å; F19-W111 HydrophobicContact CE1-CH2 4.49Å; F19-W111 HydrophobicContact CE1-CZ2 4.05Å; F19-W111 HydrophobicContact CE1-CZ3 4.49Å; F19-W111 AromaticContact CE1-NE1 3.73Å; L23-W111 HydrophobicContact CD1-CD2 3.78Å; L23-W111 HydrophobicContact CD1-CE3 4.03Å; L23-W111 HydrophobicContact CD1-CG 4.3Å; L23-W111 HydrophobicContact CD1-CH2 4.24Å; L23-W111 HydrophobicContact CD1-CZ2 3.96Å; L23-W111 HydrophobicContact CD1-CZ3 4.26Å; L23-W111 HydrophobicContact CD2-CD2 4.2Å; L23-W111 HydrophobicContact CD2-CG 3.96Å; L23-W111 HydrophobicContact CG-CD2 4.16Å; L23-W111 HydrophobicContact CG-CG 4.44Å; L23-W111 HydrophobicContact CG-CZ2 4.02Å; C44-W111 HydrophobicContact CB-CH2 3.56Å; C44-W111 HydrophobicContact CB-CZ2 3.87Å; C44-W111 HydrophobicContact CB-CZ3 4.45Å; L46-W111 HydrophobicContact CB-CZ3 4.17Å; L51-W111 HydrophobicContact CD1-CH2 4.34Å; L51-W111 HydrophobicContact CD1-CZ3 3.94Å; F87-W111 HydrophobicContact CE1-CB 3.99Å; F87-W111 HydrophobicContact CE1-CG 4.48Å; F87-W111 HydrophobicContact CZ-CB 3.78Å; F87-W111 HydrophobicContact CZ-CG 4.21Å; E107-W111 WeakPolarHBondContact O-CB 3.28Å; E107-W111 VanDerWaalsContact O-CD1 3.26Å; E107-W111 PolarHBondContact O-N 2.88Å; E109-W111 PolarHBondContact O-N 3.21Å; W111-H113 VanDerWaalsContact C-N 3.29Å; W111-H113 PolarHBondContact O-N 3.48Å; W111-H114 PolarHBondContact O-N 3.28Å; W111-L115 HydrophobicContact CE3-CD1 4.26Å; W111-L115 HydrophobicContact CE3-CG 4.38Å; W111-L115 VanDerWaalsContact O-CB 3.31Å; W111-L115 WeakPolarHBondContact O-CB 3.19Å; W111-L115 WeakPolarHBondContact O-CD1 3.45Å; W111-L115 WeakPolarHBondContact O-CG 3.49Å; W111-L115 PolarHBondContact O-N 3.07Å |
| 112 | C | 93.9 | Very high | 89.4 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 10% | 0.095 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 178.3 | -69.4 | 0 | 0 | 0 | 0 | 112 | V75 A108 E109 N116 | V75-C112 HydrophobicContact CG1-CB 4.07Å; A108-C112 WeakPolarHBondContact O-CB 3.35Å; A108-C112 PolarHBondContact O-N 3.14Å; A108-C112 PolarHBondContact O-SG 2.75Å; E109-C112 PolarHBondContact O-N 2.88Å; C112-N116 WeakPolarHBondContact O-CB 3.48Å; C112-N116 PolarHBondContact O-N 3.22Å; C112-N116 PolarHBondContact O-ND2 3.03Å |
| 113 | H | 93.9 | Very high | 88.7 | Confident | 97 Ų | 97 | 65 Ų | 65 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 177.3 | 179 | 68.3 | 0 | 0 | 0 | 112.8 | E109 K110 W111 L115 N116 K117 | E109-H113 WeakPolarHBondContact O-CB 3.48Å; E109-H113 PolarHBondContact O-N 3.36Å; K110-H113 PolarHBondContact O-N 3.05Å; W111-H113 VanDerWaalsContact C-N 3.29Å; W111-H113 PolarHBondContact O-N 3.48Å; H113-L115 VanDerWaalsContact C-N 3.35Å; H113-N116 PolarHBondContact O-N 2.85Å; H113-K117 VanDerWaalsContact CE1-CE 3.41Å; H113-K117 WeakPolarHBondContact CE1-CE 3.44Å; H113-K117 WeakPolarHBondContact NE2-CE 3.49Å; H113-K117 PolarHBondContact NE2-NZ 3.48Å; H113-K117 PolarHBondContact O-N 3.5Å |
| 114 | H | 94.6 | Very high | 88.3 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 179.8 | -80.1 | -81.2 | 0 | 0 | 0 | 112.3 | F19 L46 K110 W111 K117 A118 | F19-H114 HydrophobicContact CB-CB 3.82Å; F19-H114 HydrophobicContact CD1-CB 4.27Å; F19-H114 AromaticContact CD2-CD2 3.41Å; F19-H114 VanDerWaalsContact CD2-CD2 3.41Å; F19-H114 WeakPolarHBondContact CD2-CD2 3.42Å; F19-H114 AromaticContact CD2-CE1 3.97Å; F19-H114 AromaticContact CD2-CG 3.98Å; F19-H114 AromaticContact CD2-NE2 3.46Å; F19-H114 WeakPolarHBondContact CD2-NE2 3.49Å; F19-H114 AromaticContact CE2-CD2 3.85Å; F19-H114 AromaticContact CE2-NE2 3.93Å; F19-H114 HydrophobicContact CG-CB 4.07Å; F19-H114 AromaticContact CG-CD2 3.54Å; F19-H114 AromaticContact CG-CG 3.71Å; L46-H114 HydrophobicContact CD2-CB 3.9Å; K110-H114 PolarHBondContact O-CD2 3.02Å; K110-H114 PolarHBondContact O-N 3.1Å; W111-H114 PolarHBondContact O-N 3.28Å; H114-K117 PolarHBondContact O-N 3.34Å; H114-A118 PolarHBondContact O-N 3.33Å; H114-A118 VanDerWaalsContact O-N 3.08Å |
| 115 | L | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 173.9 | -69.9 | 164.6 | 0 | 0 | 0 | 111.3 | L46 L51 L70 F73 V75 F87 L89 W111 H113 K117 A118 | L46-L115 HydrophobicContact CD1-CD2 4.16Å; L46-L115 HydrophobicContact CD2-CD2 4.03Å; L46-L115 HydrophobicContact CD2-CG 4.36Å; L51-L115 HydrophobicContact CD2-CD2 4.36Å; L70-L115 HydrophobicContact CD1-CD2 3.63Å; L70-L115 HydrophobicContact CD2-CD2 4.42Å; F73-L115 HydrophobicContact CE2-CB 4.41Å; F73-L115 VanDerWaalsContact CZ-O 3.28Å; F73-L115 WeakPolarHBondContact CZ-O 3.48Å; V75-L115 HydrophobicContact CG2-CB 3.84Å; F87-L115 HydrophobicContact CD2-CD1 4.47Å; F87-L115 HydrophobicContact CE2-CD1 3.65Å; F87-L115 HydrophobicContact CZ-CD1 4.27Å; L89-L115 HydrophobicContact CD2-CD1 4.12Å; W111-L115 HydrophobicContact CE3-CD1 4.26Å; W111-L115 HydrophobicContact CE3-CG 4.38Å; W111-L115 VanDerWaalsContact O-CB 3.31Å; W111-L115 WeakPolarHBondContact O-CB 3.19Å; W111-L115 WeakPolarHBondContact O-CD1 3.45Å; W111-L115 WeakPolarHBondContact O-CG 3.49Å; W111-L115 PolarHBondContact O-N 3.07Å; H113-L115 VanDerWaalsContact C-N 3.35Å; L115-K117 VanDerWaalsContact C-N 3.27Å; L115-K117 PolarHBondContact O-N 3.42Å; L115-A118 WeakPolarHBondContact O-CA 3.49Å; L115-A118 VanDerWaalsContact O-CB 3.3Å; L115-A118 WeakPolarHBondContact O-CB 3.28Å; L115-A118 PolarHBondContact O-N 2.91Å |
| 116 | N | 90.2 | Very high | 87.7 | Confident | 74 Ų | 74 | 72.6 Ų | 72.6 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -38.6 | 173.6 | -81.9 | -32.9 | 0 | 0 | 0 | 112.2 | V75 C112 H113 A118 Q119 | V75-N116 WeakPolarHBondContact CG2-OD1 3.37Å; C112-N116 WeakPolarHBondContact O-CB 3.48Å; C112-N116 PolarHBondContact O-N 3.22Å; C112-N116 PolarHBondContact O-ND2 3.03Å; H113-N116 PolarHBondContact O-N 2.85Å; N116-A118 VanDerWaalsContact C-N 3.27Å; N116-A118 PolarHBondContact O-N 3.48Å; N116-Q119 WeakPolarHBondContact O-CB 3.45Å; N116-Q119 WeakPolarHBondContact O-CG 3.35Å; N116-Q119 PolarHBondContact O-N 3.47Å |
| 117 | K | 88.1 | Confident | 87.3 | Confident | 137 Ų | 137 | 73.2 Ų | 73.2 | 60% | 0.596 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68.7 | -21.1 | 173.7 | -76.1 | -175.4 | 174.4 | -179.7 | 0 | 114.4 | H113 H114 L115 Q119 | H113-K117 VanDerWaalsContact CE1-CE 3.41Å; H113-K117 WeakPolarHBondContact CE1-CE 3.44Å; H113-K117 WeakPolarHBondContact NE2-CE 3.49Å; H113-K117 PolarHBondContact NE2-NZ 3.48Å; H113-K117 PolarHBondContact O-N 3.5Å; H114-K117 PolarHBondContact O-N 3.34Å; L115-K117 VanDerWaalsContact C-N 3.27Å; L115-K117 PolarHBondContact O-N 3.42Å; K117-Q119 PolarHBondContact O-N 3.37Å |
| 118 | A | 89.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 75 Ų | 75 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L46 G48 L70 H114 L115 N116 L120 | L46-A118 HydrophobicContact CD1-CB 3.99Å; L46-A118 HydrophobicContact CD2-CB 4.3Å; G48-A118 WeakPolarHBondContact O-CB 3.31Å; L70-A118 HydrophobicContact CD1-CB 3.88Å; H114-A118 PolarHBondContact O-N 3.33Å; H114-A118 VanDerWaalsContact O-N 3.08Å; L115-A118 WeakPolarHBondContact O-CA 3.49Å; L115-A118 VanDerWaalsContact O-CB 3.3Å; L115-A118 WeakPolarHBondContact O-CB 3.28Å; L115-A118 PolarHBondContact O-N 2.91Å; N116-A118 VanDerWaalsContact C-N 3.27Å; N116-A118 PolarHBondContact O-N 3.48Å; A118-L120 PolarHBondContact O-N 3.04Å |
| 119 | Q | 83.7 | Confident | 86.8 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 28% | 0.28 | 38% | 0.381 | S | S | . | . | trans | -56.4 | 131.1 | 177.3 | -76.9 | -171.7 | -14.3 | 0 | 0 | 112 | F73 N116 K117 P122 | F73-Q119 HydrophobicContact CD1-CG 4.38Å; F73-Q119 HydrophobicContact CE1-CB 4.48Å; F73-Q119 HydrophobicContact CE1-CG 3.69Å; F73-Q119 HydrophobicContact CZ-CG 4Å; F73-Q119 PolarHBondContact O-NE2 3.5Å; N116-Q119 WeakPolarHBondContact O-CB 3.45Å; N116-Q119 WeakPolarHBondContact O-CG 3.35Å; N116-Q119 PolarHBondContact O-N 3.47Å; K117-Q119 PolarHBondContact O-N 3.37Å; Q119-P122 HydrophobicContact CB-CG 4.42Å; Q119-P122 WeakPolarHBondContact O-CD 3.29Å | ||
| 120 | L | 80.2 | Confident | 86.6 | Confident | 41 Ų | 41 | 79.9 Ų | 79.9 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -76.1 | -28.9 | 179.3 | -171.5 | 63.1 | 0 | 0 | 0 | 112.5 | E71 A118 R123 L124 | E71-L120 HydrophobicContact CG-CD2 4.03Å; A118-L120 PolarHBondContact O-N 3.04Å; L120-R123 WeakPolarHBondContact O-CB 3.27Å; L120-R123 PolarHBondContact O-N 3.42Å; L120-L124 HydrophobicContact CD1-CG 4.4Å; L120-L124 HydrophobicContact CD2-CD1 3.84Å; L120-L124 HydrophobicContact CD2-CG 4.33Å; L120-L124 HydrophobicContact CG-CD1 3.74Å; L120-L124 HydrophobicContact CG-CG 3.87Å; L120-L124 PolarHBondContact O-N 2.85Å |
| 121 | A | 76.9 | Confident | 86.1 | Confident | 49 Ų | 49 | 79.6 Ų | 79.6 | 41% | 0.405 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R123 L124 R125 | A121-R123 VanDerWaalsContact C-N 3.31Å; A121-R123 PolarHBondContact O-N 3.39Å; A121-L124 PolarHBondContact O-N 2.95Å; A121-R125 WeakPolarHBondContact O-CG 3.18Å; A121-R125 PolarHBondContact O-N 3.19Å |
| 122 | P | 79.5 | Confident | 85.5 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -37.7 | 173.4 | -24.4 | 34.3 | 0 | 0 | 0 | 113.5 | Q119 R126 | Q119-P122 HydrophobicContact CB-CG 4.42Å; Q119-P122 WeakPolarHBondContact O-CD 3.29Å; P122-R126 PolarHBondContact O-N 2.87Å; P122-R126 VanDerWaalsContact O-N 3.07Å |
| 123 | R | 76.3 | Confident | 85.1 | Confident | 138 Ų | 138 | 86.6 Ų | 86.6 | 52% | 0.521 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.9 | -42.7 | 177.6 | -69.6 | -175 | -174.5 | 176.5 | 2 | 111.9 | L120 A121 R125 R126 F127 | L120-R123 WeakPolarHBondContact O-CB 3.27Å; L120-R123 PolarHBondContact O-N 3.42Å; A121-R123 VanDerWaalsContact C-N 3.31Å; A121-R123 PolarHBondContact O-N 3.39Å; R123-R125 VanDerWaalsContact C-N 3.34Å; R123-R126 CarbonylContact O-C 3.49Å; R123-R126 PolarHBondContact O-N 2.64Å; R123-F127 WeakPolarHBondContact O-CB 3.45Å; R123-F127 PolarHBondContact O-N 3.41Å |
| 124 | L | 79.4 | Confident | 84.6 | Confident | 90 Ų | 90 | 85.2 Ų | 85.2 | 47% | 0.471 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176 | -73.8 | 171.1 | 0 | 0 | 0 | 111.4 | L120 A121 R126 F127 T128 | L120-L124 HydrophobicContact CD1-CG 4.4Å; L120-L124 HydrophobicContact CD2-CD1 3.84Å; L120-L124 HydrophobicContact CD2-CG 4.33Å; L120-L124 HydrophobicContact CG-CD1 3.74Å; L120-L124 HydrophobicContact CG-CG 3.87Å; L120-L124 PolarHBondContact O-N 2.85Å; A121-L124 PolarHBondContact O-N 2.95Å; L124-R126 PolarHBondContact O-N 3.49Å; L124-F127 WeakPolarHBondContact O-CB 3.44Å; L124-F127 PolarHBondContact O-N 3.43Å; L124-T128 PolarHBondContact O-N 3.25Å; L124-T128 PolarHBondContact O-OG1 3.31Å; L124-T128 VanDerWaalsContact O-OG1 3.05Å |
| 125 | R | 80.3 | Confident | 84 | Confident | 188 Ų | 188 | 89.3 Ų | 89.3 | 71% | 0.709 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.8 | -45.2 | 172.7 | -73.1 | -179.5 | -169.9 | 177.1 | 3.8 | 111.9 | A121 R123 F127 T128 L129 | A121-R125 WeakPolarHBondContact O-CG 3.18Å; A121-R125 PolarHBondContact O-N 3.19Å; R123-R125 VanDerWaalsContact C-N 3.34Å; R125-F127 VanDerWaalsContact C-N 3.32Å; R125-F127 PolarHBondContact O-N 2.85Å; R125-T128 PolarHBondContact O-N 2.95Å; R125-L129 WeakPolarHBondContact O-CG 3.28Å; R125-L129 PolarHBondContact O-N 3.02Å |
| 126 | R | 85.3 | Confident | 83.2 | Confident | 175 Ų | 175 | 97.8 Ų | 97.8 | 66% | 0.66 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | 176.1 | -173.8 | 167.5 | 179 | 135 | -1.5 | 112.1 | P122 R123 L124 L129 L130 | P122-R126 PolarHBondContact O-N 2.87Å; P122-R126 VanDerWaalsContact O-N 3.07Å; R123-R126 CarbonylContact O-C 3.49Å; R123-R126 PolarHBondContact O-N 2.64Å; L124-R126 PolarHBondContact O-N 3.49Å; R126-L129 PolarHBondContact O-N 2.72Å; R126-L130 HydrophobicContact CG-CD1 4.12Å; R126-L130 HydrophobicContact CG-CG 4.45Å; R126-L130 WeakPolarHBondContact O-CB 3.42Å; R126-L130 VanDerWaalsContact O-CG 3.29Å; R126-L130 WeakPolarHBondContact O-CG 3.4Å; R126-L130 PolarHBondContact O-N 3.44Å |
| 127 | F | 82.2 | Confident | 82.9 | Confident | 101 Ų | 101 | 99.9 Ų | 99.9 | 44% | 0.443 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 175.3 | -174.6 | -95.4 | 0 | 0 | 0 | 111.1 | R123 L124 R125 L129 L130 R131 L143 | R123-F127 WeakPolarHBondContact O-CB 3.45Å; R123-F127 PolarHBondContact O-N 3.41Å; L124-F127 WeakPolarHBondContact O-CB 3.44Å; L124-F127 PolarHBondContact O-N 3.43Å; R125-F127 VanDerWaalsContact C-N 3.32Å; R125-F127 PolarHBondContact O-N 2.85Å; F127-L129 PolarHBondContact O-N 3.48Å; F127-L130 PolarHBondContact O-N 2.97Å; F127-R131 VanDerWaalsContact O-CB 3.27Å; F127-R131 WeakPolarHBondContact O-CB 3.32Å; F127-R131 PolarHBondContact O-N 3.34Å; F127-L143 HydrophobicContact CE1-CD1 4.08Å; F127-L143 HydrophobicContact CZ-CD1 3.77Å; F127-L143 HydrophobicContact CZ-CG 4.5Å |
| 128 | T | 82.6 | Confident | 82.6 | Confident | 73 Ų | 73 | 97.2 Ų | 97.2 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 174.3 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | L124 R125 L130 R131 D132 | L124-T128 PolarHBondContact O-N 3.25Å; L124-T128 PolarHBondContact O-OG1 3.31Å; L124-T128 VanDerWaalsContact O-OG1 3.05Å; R125-T128 PolarHBondContact O-N 2.95Å; T128-L130 PolarHBondContact O-N 2.81Å; T128-R131 WeakPolarHBondContact O-CB 3.23Å; T128-R131 PolarHBondContact O-N 3.2Å; T128-D132 VanDerWaalsContact O-CG 3.3Å; T128-D132 PolarHBondContact O-N 3.16Å |
| 129 | L | 88.3 | Confident | 82 | Confident | 123 Ų | 123 | 100.1 Ų | 100.1 | 64% | 0.644 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 177.1 | -70.9 | 171.2 | 0 | 0 | 0 | 112.8 | R125 R126 F127 D132 E133 | R125-L129 WeakPolarHBondContact O-CG 3.28Å; R125-L129 PolarHBondContact O-N 3.02Å; R126-L129 PolarHBondContact O-N 2.72Å; F127-L129 PolarHBondContact O-N 3.48Å; L129-D132 PolarHBondContact O-N 3.15Å; L129-E133 WeakPolarHBondContact O-CB 3.34Å; L129-E133 PolarHBondContact O-N 3.48Å |
| 130 | L | 89 | Confident | 81.3 | Confident | 90 Ų | 90 | 100 Ų | 100 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 176.1 | -73.5 | 169.8 | 0 | 0 | 0 | 111.6 | R126 F127 T128 E133 I134 | R126-L130 HydrophobicContact CG-CD1 4.12Å; R126-L130 HydrophobicContact CG-CG 4.45Å; R126-L130 WeakPolarHBondContact O-CB 3.42Å; R126-L130 VanDerWaalsContact O-CG 3.29Å; R126-L130 WeakPolarHBondContact O-CG 3.4Å; R126-L130 PolarHBondContact O-N 3.44Å; F127-L130 PolarHBondContact O-N 2.97Å; T128-L130 PolarHBondContact O-N 2.81Å; L130-E133 PolarHBondContact O-N 2.65Å; L130-I134 WeakPolarHBondContact O-CB 3.43Å; L130-I134 WeakPolarHBondContact O-CD1 3.34Å; L130-I134 WeakPolarHBondContact O-CG1 3.29Å; L130-I134 PolarHBondContact O-N 3.09Å |
| 131 | R | 84 | Confident | 80.8 | Confident | 84 Ų | 84 | 98.5 Ų | 98.5 | 32% | 0.317 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 176.9 | -170.8 | 176.7 | -178.8 | -168 | -10.8 | 110.9 | F127 T128 I134 R135 D141 P142 | F127-R131 VanDerWaalsContact O-CB 3.27Å; F127-R131 WeakPolarHBondContact O-CB 3.32Å; F127-R131 PolarHBondContact O-N 3.34Å; T128-R131 WeakPolarHBondContact O-CB 3.23Å; T128-R131 PolarHBondContact O-N 3.2Å; R131-I134 PolarHBondContact O-N 3.29Å; R131-R135 VanDerWaalsContact O-CB 3.23Å; R131-R135 WeakPolarHBondContact O-CB 3.34Å; R131-R135 PolarHBondContact O-N 2.87Å; R131-D141 IonicContact CZ-OD1 3.99Å; R131-D141 IonicContact CZ-OD2 3.97Å; R131-D141 IonicContact NE-OD1 3.93Å; R131-D141 PolarHBondContact NE-OD1 3.21Å; R131-D141 IonicContact NE-OD2 2.7Å; R131-D141 PolarHBondContact NE-OD2 3.33Å; R131-D141 VanDerWaalsContact NH2-CG 3.29Å; R131-D141 IonicContact NH2-OD1 3.14Å; R131-D141 PolarHBondContact NH2-OD1 3.5Å; R131-D141 IonicContact NH2-OD2 3.76Å; R131-D141 PolarHBondContact NH2-OD2 3.01Å; R131-P142 HydrophobicContact CG-CG 4.35Å |
| 132 | D | 82.9 | Confident | 80.2 | Confident | 83 Ų | 83 | 98.7 Ų | 98.7 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.5 | -68 | -23.8 | 0 | 0 | 0 | 111.6 | T128 L129 R135 R136 | T128-D132 VanDerWaalsContact O-CG 3.3Å; T128-D132 PolarHBondContact O-N 3.16Å; L129-D132 PolarHBondContact O-N 3.15Å; D132-R135 PolarHBondContact O-N 3.28Å; D132-R136 WeakPolarHBondContact O-CB 3.46Å; D132-R136 PolarHBondContact O-N 3.02Å |
| 133 | E | 85.3 | Confident | 79.3 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 38% | 0.379 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.3 | -42 | 177.7 | -173.7 | 60.1 | -167.1 | 0 | 0 | 112.2 | L129 L130 R135 R136 I137 | L129-E133 WeakPolarHBondContact O-CB 3.34Å; L129-E133 PolarHBondContact O-N 3.48Å; L130-E133 PolarHBondContact O-N 2.65Å; E133-R135 VanDerWaalsContact C-N 3.33Å; E133-R136 WeakPolarHBondContact O-CB 3.36Å; E133-R136 PolarHBondContact O-N 2.78Å; E133-R136 IonicContact OE1-CZ 3.46Å; E133-R136 IonicContact OE1-NE 3.5Å; E133-R136 PolarHBondContact OE1-NE 3.49Å; E133-R136 IonicContact OE1-NH2 3.86Å; E133-R136 PolarHBondContact OE1-NH2 3.38Å; E133-R136 IonicContact OE2-CZ 3.8Å; E133-R136 IonicContact OE2-NE 2.69Å; E133-R136 PolarHBondContact OE2-NE 3.21Å; E133-R136 IonicContact OE2-NH2 2.64Å; E133-I137 HydrophobicContact CG-CD1 4.16Å; E133-I137 VanDerWaalsContact O-CG1 3.32Å; E133-I137 WeakPolarHBondContact O-CG1 3.3Å; E133-I137 PolarHBondContact O-N 2.99Å |
| 134 | I | 83.3 | Confident | 78.3 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 35% | 0.354 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 174 | -67.3 | 164.4 | 0 | 0 | 0 | 110.1 | L130 R131 R136 I137 T138 P142 | L130-I134 WeakPolarHBondContact O-CB 3.43Å; L130-I134 WeakPolarHBondContact O-CD1 3.34Å; L130-I134 WeakPolarHBondContact O-CG1 3.29Å; L130-I134 PolarHBondContact O-N 3.09Å; R131-I134 PolarHBondContact O-N 3.29Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 2.83Å; I134-I137 PolarHBondContact O-N 3.21Å; I134-T138 HydrophobicContact CG2-CG2 3.96Å; I134-T138 WeakPolarHBondContact O-CB 3.4Å; I134-T138 WeakPolarHBondContact O-CG2 3.4Å; I134-T138 PolarHBondContact O-N 2.91Å; I134-T138 PolarHBondContact O-OG1 3.24Å; I134-P142 HydrophobicContact CB-CG 4.09Å; I134-P142 HydrophobicContact CD1-CG 4.15Å; I134-P142 HydrophobicContact CG2-CB 3.9Å; I134-P142 HydrophobicContact CG2-CG 3.74Å |
| 135 | R | 81.5 | Confident | 76.6 | Confident | 140 Ų | 140 | 97.5 Ų | 97.5 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 175.5 | -177.2 | 178.6 | 174 | -171.8 | 1 | 111.7 | R131 D132 E133 G139 S140 | R131-R135 VanDerWaalsContact O-CB 3.23Å; R131-R135 WeakPolarHBondContact O-CB 3.34Å; R131-R135 PolarHBondContact O-N 2.87Å; D132-R135 PolarHBondContact O-N 3.28Å; E133-R135 VanDerWaalsContact C-N 3.33Å; R135-G139 CarbonylContact O-C 3.48Å; R135-G139 VanDerWaalsContact O-CA 3.24Å; R135-G139 WeakPolarHBondContact O-CA 3.15Å; R135-G139 PolarHBondContact O-N 3.48Å; R135-S140 WeakPolarHBondContact CA-O 3.49Å |
| 136 | R | 79.6 | Confident | 74.6 | Confident | 177 Ų | 177 | 91.7 Ų | 91.7 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.5 | -38.2 | 174.4 | -166.6 | -173.3 | 72.2 | 79.6 | 2.5 | 112.4 | D132 E133 I134 | D132-R136 WeakPolarHBondContact O-CB 3.46Å; D132-R136 PolarHBondContact O-N 3.02Å; E133-R136 WeakPolarHBondContact O-CB 3.36Å; E133-R136 PolarHBondContact O-N 2.78Å; E133-R136 IonicContact OE1-CZ 3.46Å; E133-R136 IonicContact OE1-NE 3.5Å; E133-R136 PolarHBondContact OE1-NE 3.49Å; E133-R136 IonicContact OE1-NH2 3.86Å; E133-R136 PolarHBondContact OE1-NH2 3.38Å; E133-R136 IonicContact OE2-CZ 3.8Å; E133-R136 IonicContact OE2-NE 2.69Å; E133-R136 PolarHBondContact OE2-NE 3.21Å; E133-R136 IonicContact OE2-NH2 2.64Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 2.83Å |
| 137 | I | 83.1 | Confident | 72.1 | Confident | 119 Ų | 119 | 90.9 Ų | 90.9 | 61% | 0.61 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.5 | -43.2 | -179 | -66.6 | 166.7 | 0 | 0 | 0 | 112 | E133 I134 | E133-I137 HydrophobicContact CG-CD1 4.16Å; E133-I137 VanDerWaalsContact O-CG1 3.32Å; E133-I137 WeakPolarHBondContact O-CG1 3.3Å; E133-I137 PolarHBondContact O-N 2.99Å; I134-I137 PolarHBondContact O-N 3.21Å |
| 138 | T | 80.8 | Confident | 69.9 | Low | 81 Ų | 81 | 92.2 Ų | 92.2 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -97.6 | -12.1 | -170.6 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | I134 S140 | I134-T138 HydrophobicContact CG2-CG2 3.96Å; I134-T138 WeakPolarHBondContact O-CB 3.4Å; I134-T138 WeakPolarHBondContact O-CG2 3.4Å; I134-T138 PolarHBondContact O-N 2.91Å; I134-T138 PolarHBondContact O-OG1 3.24Å; T138-S140 PolarHBondContact O-N 3.24Å; T138-S140 PolarHBondContact OG1-O 3.13Å |
| 139 | G | 77.2 | Confident | 67.3 | Low | 66 Ų | 66 | 90.8 Ų | 90.8 | 68% | 0.68 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 79.5 | -7.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R135 | R135-G139 CarbonylContact O-C 3.48Å; R135-G139 VanDerWaalsContact O-CA 3.24Å; R135-G139 WeakPolarHBondContact O-CA 3.15Å; R135-G139 PolarHBondContact O-N 3.48Å |
| 140 | S | 68.7 | Low | 64.8 | Low | 57 Ų | 57 | 91.1 Ų | 91.1 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -139.5 | 152 | -174.6 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | R135 T138 | R135-S140 WeakPolarHBondContact CA-O 3.49Å; T138-S140 PolarHBondContact O-N 3.24Å; T138-S140 PolarHBondContact OG1-O 3.13Å |
| 141 | D | 69.8 | Low | 61.9 | Low | 10 Ų | 10 | 91.6 Ų | 91.6 | 5% | 0.053 | 53% | 0.532 | C | S | . | . | trans | -68.2 | 128.4 | 174.1 | -165.9 | -46.8 | 0 | 0 | 0 | 110.7 | R131 L143 E144 A145 | R131-D141 IonicContact CZ-OD1 3.99Å; R131-D141 IonicContact CZ-OD2 3.97Å; R131-D141 IonicContact NE-OD1 3.93Å; R131-D141 PolarHBondContact NE-OD1 3.21Å; R131-D141 IonicContact NE-OD2 2.7Å; R131-D141 PolarHBondContact NE-OD2 3.33Å; R131-D141 VanDerWaalsContact NH2-CG 3.29Å; R131-D141 IonicContact NH2-OD1 3.14Å; R131-D141 PolarHBondContact NH2-OD1 3.5Å; R131-D141 IonicContact NH2-OD2 3.76Å; R131-D141 PolarHBondContact NH2-OD2 3.01Å; D141-L143 PolarHBondContact O-N 3.22Å; D141-L143 PolarHBondContact OD1-N 3.41Å; D141-E144 HydrophobicContact CB-CB 3.85Å; D141-E144 HydrophobicContact CB-CG 3.69Å; D141-E144 PolarHBondContact O-N 3.02Å; D141-A145 PolarHBondContact O-N 3.39Å | ||
| 142 | P | 64.7 | Low | 59.5 | Low | 53 Ų | 53 | 91 Ų | 91 | 34% | 0.344 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.8 | 179.7 | 24.6 | -34.2 | 0 | 0 | 0 | 113.9 | R131 I134 | R131-P142 HydrophobicContact CG-CG 4.35Å; I134-P142 HydrophobicContact CB-CG 4.09Å; I134-P142 HydrophobicContact CD1-CG 4.15Å; I134-P142 HydrophobicContact CG2-CB 3.9Å; I134-P142 HydrophobicContact CG2-CG 3.74Å |
| 143 | L | 61.3 | Low | 57.2 | Low | 63 Ų | 63 | 92.3 Ų | 92.3 | 33% | 0.33 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -9.9 | 174.6 | -62 | -173.2 | 0 | 0 | 0 | 114.2 | F127 D141 F147 | F127-L143 HydrophobicContact CE1-CD1 4.08Å; F127-L143 HydrophobicContact CZ-CD1 3.77Å; F127-L143 HydrophobicContact CZ-CG 4.5Å; D141-L143 PolarHBondContact O-N 3.22Å; D141-L143 PolarHBondContact OD1-N 3.41Å; L143-F147 HydrophobicContact CB-CE2 4.08Å; L143-F147 HydrophobicContact CB-CZ 4.25Å; L143-F147 HydrophobicContact CD1-CZ 4.21Å; L143-F147 HydrophobicContact CD2-CE1 4.05Å; L143-F147 HydrophobicContact CD2-CE2 4.2Å; L143-F147 HydrophobicContact CD2-CZ 3.66Å; L143-F147 HydrophobicContact CG-CZ 4.25Å |
| 144 | E | 54.6 | Low | 54.9 | Low | 148 Ų | 148 | 90.7 Ų | 90.7 | 69% | 0.692 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -28.4 | 169.5 | -75.7 | -176.1 | 165.4 | 0 | 0 | 111.6 | D141 G146 | D141-E144 HydrophobicContact CB-CB 3.85Å; D141-E144 HydrophobicContact CB-CG 3.69Å; D141-E144 PolarHBondContact O-N 3.02Å; E144-G146 PolarHBondContact O-N 2.97Å |
| 145 | A | 44.8 | Very low | 52.8 | Low | 67 Ų | 67 | 90.1 Ų | 90.1 | 55% | 0.554 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -69.2 | 96 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | D141 F147 | D141-A145 PolarHBondContact O-N 3.39Å; A145-F147 PolarHBondContact O-N 3.36Å |
| 146 | G | 37.3 | Very low | 50.9 | Low | 66 Ų | 66 | 88.8 Ų | 88.8 | 68% | 0.68 | 55% | 0.554 | S | S | * | * | trans | -17.6 | 114.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E144 S148 | E144-G146 PolarHBondContact O-N 2.97Å; G146-S148 PolarHBondContact O-N 2.91Å | ||
| 147 | F | 32.2 | Very low | 49.4 | Very low | 158 Ų | 158 | 82.3 Ų | 82.3 | 69% | 0.693 | 53% | 0.531 | S | S | * | . | trans | -41.6 | 96.7 | 168.6 | -78 | -100.2 | 0 | 0 | 0 | 112.6 | L143 A145 | L143-F147 HydrophobicContact CB-CE2 4.08Å; L143-F147 HydrophobicContact CB-CZ 4.25Å; L143-F147 HydrophobicContact CD1-CZ 4.21Å; L143-F147 HydrophobicContact CD2-CE1 4.05Å; L143-F147 HydrophobicContact CD2-CE2 4.2Å; L143-F147 HydrophobicContact CD2-CZ 3.66Å; L143-F147 HydrophobicContact CG-CZ 4.25Å; A145-F147 PolarHBondContact O-N 3.36Å | ||
| 148 | S | 36.5 | Very low | 47.5 | Very low | 129 Ų | 129 | 80.4 Ų | 80.4 | 90% | 0.902 | 53% | 0.526 | S | S | * | . | trans | -94.9 | 72.4 | 152.6 | 63.2 | 0 | 0 | 0 | 0 | 107.7 | G146 | G146-S148 PolarHBondContact O-N 2.91Š| ||
| 149 | G | 27.5 | Very low | 45.9 | Very low | 42 Ų | 42 | 83.2 Ų | 83.2 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -157.7 | 92.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.3 | S151 | G149-S151 VanDerWaalsContact C-N 3.32Å; G149-S151 PolarHBondContact O-N 3.36Å |
| 150 | S | 35.9 | Very low | 44.6 | Very low | 131 Ų | 131 | 80.6 Ų | 80.6 | 92% | 0.916 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 46.2 | 14.5 | 146.9 | 66.9 | 0 | 0 | 0 | 0 | 122.7 | ||
| 151 | S | 28.5 | Very low | 43.6 | Very low | 99 Ų | 99 | 78.2 Ų | 78.2 | 69% | 0.692 | 49% | 0.488 | S | S | * | . | trans | -128.2 | 89 | 145.9 | 72.8 | 0 | 0 | 0 | 0 | 108.3 | G149 T153 | G149-S151 VanDerWaalsContact C-N 3.32Å; G149-S151 PolarHBondContact O-N 3.36Å; S151-T153 VanDerWaalsContact C-N 3.29Å; S151-T153 PolarHBondContact O-N 2.96Å | ||
| 152 | V | 34.6 | Very low | 42.7 | Very low | 71 Ų | 71 | 80.3 Ų | 80.3 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | trans | -68.7 | 88.9 | -174.4 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | F242 | V152-F242 HydrophobicContact CB-CE1 3.95Å; V152-F242 HydrophobicContact CB-CZ 4.36Å; V152-F242 HydrophobicContact CG1-CE1 3.85Å; V152-F242 HydrophobicContact CG1-CZ 3.78Å; V152-F242 HydrophobicContact CG2-CE1 4.2Å | ||
| 153 | T | 33.7 | Very low | 42 | Very low | 111 Ų | 111 | 78.4 Ų | 78.4 | 68% | 0.681 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 124.3 | 156.1 | -22.1 | 0 | 0 | 0 | 0 | 105.5 | S151 | S151-T153 VanDerWaalsContact C-N 3.29Å; S151-T153 PolarHBondContact O-N 2.96Å |
| 154 | P | 37.5 | Very low | 41.7 | Very low | 48 Ų | 48 | 77.9 Ų | 77.9 | 31% | 0.312 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 132 | -177.5 | 19.3 | -30.3 | 0 | 0 | 0 | 110.1 | F192 | P154-F192 HydrophobicContact CB-CD1 4.32Å; P154-F192 HydrophobicContact CB-CE1 3.36Å; P154-F192 HydrophobicContact CB-CE2 4.23Å; P154-F192 HydrophobicContact CB-CZ 3.31Å; P154-F192 HydrophobicContact CG-CZ 4.25Å |
| 155 | P | 39.2 | Very low | 42 | Very low | 57 Ų | 57 | 72.8 Ų | 72.8 | 37% | 0.37 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 148 | -175.3 | 25.9 | -34.1 | 0 | 0 | 0 | 111.4 | I157 P205 | P155-I157 PolarHBondContact O-N 2.73Å; P155-P205 HydrophobicContact CB-CB 3.97Å; P155-P205 HydrophobicContact CB-CG 3.98Å; P155-P205 HydrophobicContact CG-CB 3.83Å; P155-P205 HydrophobicContact CG-CG 4.4Å |
| 156 | T | 40.7 | Very low | 43.5 | Very low | 112 Ų | 112 | 74.3 Ų | 74.3 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | trans | -70.7 | 112.1 | 179.2 | -54.3 | 0 | 0 | 0 | 0 | 108.7 | P205 M1013 | T156-P205 WeakPolarHBondContact O-CG 3.13Å; T156-M1013 HydrophobicContact CG2-CE 4.32Å | ||
| 157 | I | 48.4 | Very low | 45.7 | Very low | 40 Ų | 40 | 71.4 Ų | 71.4 | 21% | 0.205 | 43% | 0.43 | C | S | . | . | trans | -67.1 | 128.4 | -175.1 | -63 | 164 | 0 | 0 | 0 | 110 | P155 A208 | P155-I157 PolarHBondContact O-N 2.73Å; I157-A208 HydrophobicContact CD1-CB 3.74Å | ||
| 158 | V | 43 | Very low | 48.4 | Very low | 80 Ų | 80 | 63.9 Ų | 63.9 | 49% | 0.485 | 40% | 0.398 | S | S | . | . | trans | -69.4 | 139.5 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | E160 T204 | V158-E160 PolarHBondContact O-N 2.66Å; V158-T204 HydrophobicContact CG2-CG2 4.12Å | ||
| 159 | E | 46.9 | Very low | 50.9 | Low | 140 Ų | 140 | 58 Ų | 58 | 65% | 0.654 | 36% | 0.356 | S | S | * | . | trans | -42.2 | 125.9 | -176.3 | -66.6 | 178.8 | 153.4 | 0 | 0 | 113 | G161 | E159-G161 PolarHBondContact O-N 2.76Š| ||
| 160 | E | 50 | Low | 54.1 | Low | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | trans | -76 | 111.6 | 173.7 | -78.1 | 170 | -135 | 0 | 0 | 108.1 | V158 K222 K330 | V158-E160 PolarHBondContact O-N 2.66Å; E160-K222 WeakPolarHBondContact OE1-CE 3.31Å; E160-K222 IonicContact OE1-NZ 3.62Å; E160-K222 PolarHBondContact OE1-NZ 2.86Å; E160-K222 VanDerWaalsContact OE1-NZ 3.07Å; E160-K330 IonicContact OE1-NZ 2.76Å; E160-K330 PolarHBondContact OE1-NZ 3.3Å; E160-K330 WeakPolarHBondContact OE2-CD 3.42Å; E160-K330 IonicContact OE2-NZ 2.76Å; E160-K330 PolarHBondContact OE2-NZ 2.7Å | ||
| 161 | G | 48.2 | Very low | 56.8 | Low | 7 Ų | 7 | 50.3 Ų | 50.3 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | trans | 57.7 | 121.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | E159 S329 | E159-G161 PolarHBondContact O-N 2.76Å; G161-S329 PolarHBondContact O-OG 3.35Å | ||
| 162 | S | 50.4 | Low | 60.1 | Low | 54 Ų | 54 | 45.7 Ų | 45.7 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | trans | -76.3 | 158.9 | 159.8 | -171 | 0 | 0 | 0 | 0 | 110.6 | N164 D165 R321 | S162-N164 PolarHBondContact O-N 2.68Å; S162-N164 VanDerWaalsContact O-N 3.1Å; S162-D165 PolarHBondContact N-OD2 3.03Å; S162-D165 WeakPolarHBondContact O-CB 2.74Å; S162-D165 PolarHBondContact O-N 3.42Å; S162-R321 PolarHBondContact OG-NH2 3.38Å | ||
| 163 | L | 52 | Low | 62.9 | Low | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.4 | -170.9 | -142.7 | 121.5 | 0 | 0 | 0 | 115.8 | L306 M317 L327 F347 | L163-L306 HydrophobicContact CD2-CD1 3.52Å; L163-L306 HydrophobicContact CG-CD1 4.28Å; L163-L306 WeakPolarHBondContact O-CD1 3.4Å; L163-M317 HydrophobicContact CD1-CE 4.41Å; L163-M317 HydrophobicContact CD1-SD 3.44Å; L163-M317 WeakPolarHBondContact CD1-SD 3.25Å; L163-M317 HydrophobicContact CD2-CB 4.03Å; L163-M317 HydrophobicContact CD2-CG 3.71Å; L163-M317 HydrophobicContact CD2-SD 3.39Å; L163-M317 WeakPolarHBondContact CD2-SD 3.22Å; L163-M317 HydrophobicContact CG-SD 4Å; L163-L327 HydrophobicContact CD1-CD2 3.28Å; L163-L327 HydrophobicContact CD1-CG 4.06Å; L163-F347 HydrophobicContact CD1-CD1 3.57Å; L163-F347 HydrophobicContact CD1-CE1 3.27Å; L163-F347 HydrophobicContact CD1-CG 4.46Å; L163-F347 HydrophobicContact CD1-CZ 3.95Å; L163-F347 HydrophobicContact CG-CE1 3.8Å; L163-F347 HydrophobicContact CG-CZ 4.29Å |
| 164 | N | 53.7 | Low | 65.8 | Low | 51 Ų | 51 | 40 Ų | 40 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 7 | -173.5 | -69.8 | 15.3 | 0 | 0 | 0 | 112.9 | S162 E166 F308 R321 | S162-N164 PolarHBondContact O-N 2.68Å; S162-N164 VanDerWaalsContact O-N 3.1Å; N164-E166 PolarHBondContact O-N 2.79Å; N164-E166 VanDerWaalsContact O-N 3.09Å; N164-F308 WeakPolarHBondContact OD1-CZ 3.44Å; N164-R321 VanDerWaalsContact CG-NH2 3.34Å; N164-R321 PolarHBondContact ND2-NH1 3.01Å; N164-R321 PolarHBondContact OD1-NH2 3.04Å |
| 165 | D | 62.1 | Low | 68.3 | Low | 42 Ų | 42 | 40.6 Ų | 40.6 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | trans | -73 | 111.9 | -177.4 | -63.2 | -14.5 | 0 | 0 | 0 | 107.3 | S162 F225 R227 | S162-D165 PolarHBondContact N-OD2 3.03Å; S162-D165 WeakPolarHBondContact O-CB 2.74Å; S162-D165 PolarHBondContact O-N 3.42Å; D165-F225 HydrophobicContact CB-CE1 4.06Å; D165-F225 VanDerWaalsContact O-CZ 3.31Å; D165-F225 WeakPolarHBondContact O-CZ 3.25Å; D165-R227 HydrophobicContact CB-CB 4.48Å; D165-R227 HydrophobicContact CB-CG 4.36Å; D165-R227 WeakPolarHBondContact OD2-CD 3.28Å; D165-R227 WeakPolarHBondContact OD2-CG 3.43Å | ||
| 166 | E | 74.9 | Confident | 70.4 | Confident | 98 Ų | 98 | 40 Ų | 40 | 46% | 0.458 | 22% | 0.216 | S | C | . | . | trans | -51.1 | 142.4 | 153.2 | -175.2 | 177.7 | 172.4 | 0 | 0 | 107.4 | N164 H228 | N164-E166 PolarHBondContact O-N 2.79Å; N164-E166 VanDerWaalsContact O-N 3.09Å; E166-H228 HydrophobicContact CB-CB 4.39Å; E166-H228 WeakPolarHBondContact O-CA 3.2Å; E166-H228 VanDerWaalsContact O-CB 3.25Å; E166-H228 WeakPolarHBondContact O-CB 3.28Å; E166-H228 PolarHBondContact O-N 3.33Å; E166-H228 IonicContact OE2-CD2 2.66Å | ||
| 167 | G | 84.6 | Confident | 72.4 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | -179 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L226 Q303 | G167-L226 CarbonylContact C-O 3.53Å; G167-L226 WeakPolarHBondContact CA-O 3.46Å; G167-Q303 PolarHBondContact N-O 3.27Å; G167-Q303 PolarHBondContact O-N 2.73Å |
| 168 | L | 88.5 | Confident | 73.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.1 | 179.3 | -165.5 | 69.6 | 0 | 0 | 0 | 108.7 | I170 L226 I231 L265 L266 K302 | L168-I170 HydrophobicContact CD2-CG1 4.4Å; L168-I170 HydrophobicContact CG-CG1 4.4Å; L168-L226 HydrophobicContact CB-CB 4.25Å; L168-L226 HydrophobicContact CD2-CD1 4.44Å; L168-L226 PolarHBondContact N-O 3.37Å; L168-L226 PolarHBondContact O-N 3.18Å; L168-I231 HydrophobicContact CB-CD1 3.8Å; L168-L265 HydrophobicContact CD2-CB 4.21Å; L168-L266 HydrophobicContact CD1-CD2 4.23Å; L168-L266 HydrophobicContact CD2-CD2 4.38Å; L168-K302 HydrophobicContact CD1-CG 3.98Å |
| 169 | E | 89.6 | Confident | 74 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.1 | 169.2 | -176.9 | 177.4 | -155.5 | 0 | 0 | 109.5 | T223 F225 S300 R301 Q303 H343 | E169-T223 HydrophobicContact CG-CG2 4.41Å; E169-T223 WeakPolarHBondContact OE1-CB 3.16Å; E169-T223 WeakPolarHBondContact OE1-CG2 3.45Å; E169-T223 PolarHBondContact OE1-OG1 2.7Å; E169-F225 HydrophobicContact CB-CD2 4.44Å; E169-S300 WeakPolarHBondContact O-CA 3.25Å; E169-R301 HydrophobicContact CB-CB 4.45Å; E169-R301 PolarHBondContact N-O 2.89Å; E169-R301 PolarHBondContact O-N 3.33Å; E169-Q303 HydrophobicContact CB-CG 3.95Å; E169-Q303 PolarHBondContact OE2-NE2 3.3Å; E169-H343 IonicContact OE2-ND1 2.72Å |
| 170 | I | 93.1 | Very high | 74.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.7 | -178.8 | -59.7 | -178.3 | 0 | 0 | 0 | 109.1 | L168 L172 T223 I224 L226 I237 F239 L265 V298 H299 | L168-I170 HydrophobicContact CD2-CG1 4.4Å; L168-I170 HydrophobicContact CG-CG1 4.4Å; I170-L172 HydrophobicContact CG2-CD2 3.76Å; I170-L172 HydrophobicContact CG2-CG 4.02Å; I170-T223 WeakPolarHBondContact O-CA 3.46Å; I170-T223 WeakPolarHBondContact O-CB 3.26Å; I170-I224 HydrophobicContact CB-CB 4.27Å; I170-I224 WeakPolarHBondContact CB-O 3.35Å; I170-I224 PolarHBondContact N-O 3.24Å; I170-I224 PolarHBondContact O-N 2.94Å; I170-L226 HydrophobicContact CD1-CD1 3.55Å; I170-L226 HydrophobicContact CD1-CD2 4.47Å; I170-L226 HydrophobicContact CD1-CG 3.79Å; I170-I237 HydrophobicContact CD1-CD1 3.67Å; I170-F239 HydrophobicContact CG2-CE1 4.2Å; I170-L265 HydrophobicContact CD1-CD1 4.47Å; I170-V298 HydrophobicContact CG2-CG1 3.54Å; I170-H299 WeakPolarHBondContact CA-O 3.36Å |
| 171 | I | 94.3 | Very high | 74.2 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.6 | 178.5 | -56.1 | 163.1 | 0 | 0 | 0 | 108.3 | T223 H299 K333 | I171-T223 HydrophobicContact CG1-CG2 3.83Å; I171-H299 HydrophobicContact CB-CB 4.2Å; I171-H299 PolarHBondContact N-O 3.49Å; I171-H299 PolarHBondContact O-N 3.46Å; I171-K333 HydrophobicContact CD1-CD 4.32Å; I171-K333 HydrophobicContact CG2-CD 4.26Å |
| 172 | L | 96 | Very high | 74.6 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.3 | -170 | -62.3 | 168.5 | 0 | 0 | 0 | 111.6 | I170 L191 V193 T209 F220 I224 F239 I296 V298 | I170-L172 HydrophobicContact CG2-CD2 3.76Å; I170-L172 HydrophobicContact CG2-CG 4.02Å; L172-L191 HydrophobicContact CB-CD1 3.72Å; L172-L191 HydrophobicContact CD1-CB 4.27Å; L172-L191 HydrophobicContact CD1-CD1 3.9Å; L172-L191 HydrophobicContact CD2-CD1 4.45Å; L172-L191 HydrophobicContact CG-CD1 4.23Å; L172-V193 HydrophobicContact CD1-CG2 3.91Å; L172-T209 HydrophobicContact CD1-CG2 3.82Å; L172-F220 HydrophobicContact CB-CD2 4.02Å; L172-F220 WeakPolarHBondContact O-CD2 3.29Å; L172-F220 PolarHBondContact O-N 3.32Å; L172-I224 HydrophobicContact CD1-CG1 4.08Å; L172-F239 HydrophobicContact CD1-CD1 4.45Å; L172-F239 HydrophobicContact CD2-CD1 3.89Å; L172-F239 HydrophobicContact CD2-CE1 3.73Å; L172-I296 HydrophobicContact CD2-CG2 4.14Å; L172-V298 HydrophobicContact CD2-CB 4.36Å; L172-V298 HydrophobicContact CD2-CG1 4.05Å; L172-V298 HydrophobicContact CD2-CG2 3.89Å |
| 173 | K | 94.8 | Very high | 75 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 155.7 | 168.8 | -54.8 | 179.8 | -179.1 | 172.9 | 0 | 108.3 | P218 V219 I296 I297 | K173-P218 CarbonylContact C-O 3.3Å; K173-P218 WeakPolarHBondContact CA-O 3.41Å; K173-V219 HydrophobicContact CB-CG2 4.48Å; K173-V219 HydrophobicContact CD-CG1 4.24Å; K173-V219 HydrophobicContact CD-CG2 4.14Å; K173-V219 HydrophobicContact CG-CB 4.44Å; K173-V219 HydrophobicContact CG-CG1 4.1Å; K173-V219 HydrophobicContact CG-CG2 4.18Å; K173-I296 CarbonylContact O-C 3.52Å; K173-I297 HydrophobicContact CB-CB 4.32Å; K173-I297 HydrophobicContact CB-CD1 4.46Å; K173-I297 PolarHBondContact N-O 3.5Å; K173-I297 PolarHBondContact O-N 3.4Å |
| 174 | C | 93.6 | Very high | 75.6 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 156.1 | 169.2 | -49 | 0 | 0 | 0 | 0 | 111.5 | I177 N217 P218 S295 | C174-I177 HydrophobicContact CB-CD1 3.83Å; C174-I177 HydrophobicContact CB-CG1 3.53Å; C174-N217 CarbonylContact O-C 3.57Å; C174-N217 VanDerWaalsContact O-CA 3.27Å; C174-N217 WeakPolarHBondContact O-CA 3.33Å; C174-P218 HydrophobicContact CB-CG 3.62Å; C174-P218 PolarHBondContact N-O 3.19Å; C174-S295 CarbonylContact C-O 3.43Å; C174-S295 WeakPolarHBondContact CA-O 3.07Å |
| 175 | L | 90.4 | Very high | 76.4 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 32% | 0.319 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.2 | 174.4 | -71.6 | 175.7 | 0 | 0 | 0 | 110.1 | I177 N217 L272 S295 I297 | L175-I177 PolarHBondContact O-N 3.12Å; L175-N217 WeakPolarHBondContact CA-OD1 3.42Å; L175-L272 HydrophobicContact CD1-CD1 3.99Å; L175-S295 PolarHBondContact N-O 3Å; L175-S295 PolarHBondContact O-N 3.27Å; L175-I297 HydrophobicContact CD1-CD1 3.55Å; L175-I297 HydrophobicContact CD1-CG1 3.9Å; L175-I297 HydrophobicContact CD2-CD1 4.19Å; L175-I297 HydrophobicContact CG-CD1 3.63Å; L175-I297 HydrophobicContact CG-CG1 4.1Å |
| 176 | N | 84.2 | Confident | 77.3 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 58.7 | 39.7 | 168.7 | -60.3 | -47.9 | 0 | 0 | 0 | 114.9 | G178 R216 N217 T292 | N176-G178 PolarHBondContact O-N 3.46Å; N176-R216 PolarHBondContact N-O 2.93Å; N176-N217 PolarHBondContact N-OD1 3.23Å; N176-T292 VanDerWaalsContact CG-OG1 3.23Å; N176-T292 WeakPolarHBondContact ND2-CB 3.31Å; N176-T292 PolarHBondContact ND2-OG1 3.12Å |
| 177 | I | 81.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -79 | 116.1 | 174.6 | -50.3 | -53.6 | 0 | 0 | 0 | 109.5 | C174 L175 P187 T189 R216 L241 I255 L275 P294 | C174-I177 HydrophobicContact CB-CD1 3.83Å; C174-I177 HydrophobicContact CB-CG1 3.53Å; L175-I177 PolarHBondContact O-N 3.12Å; I177-P187 HydrophobicContact CG2-CG 3.64Å; I177-T189 HydrophobicContact CG2-CG2 4.09Å; I177-R216 PolarHBondContact N-O 3.35Å; I177-R216 WeakPolarHBondContact O-CA 3.38Å; I177-R216 WeakPolarHBondContact O-CG 3.42Å; I177-L241 HydrophobicContact CD1-CD2 3.56Å; I177-L241 HydrophobicContact CG1-CD2 3.96Å; I177-L241 HydrophobicContact CG2-CD2 4.03Å; I177-I255 HydrophobicContact CG2-CD1 3.76Å; I177-I255 HydrophobicContact CG2-CG2 4.32Å; I177-L275 HydrophobicContact CD1-CD1 3.7Å; I177-P294 HydrophobicContact CD1-CB 3.85Å | ||
| 178 | G | 67.5 | Low | 77.9 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | trans | -148.9 | 147.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N176 M180 | N176-G178 PolarHBondContact O-N 3.46Å; G178-M180 PolarHBondContact O-N 2.94Å | ||
| 179 | D | 57.3 | Low | 78 | Confident | 45 Ų | 45 | 52.3 Ų | 52.3 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | trans | -77.2 | 114.9 | 170.9 | -169.2 | -19 | 0 | 0 | 0 | 108.9 | A181 H182 | D179-A181 PolarHBondContact O-N 3.31Å; D179-A181 WeakPolarHBondContact OD1-CB 3.5Å; D179-A181 PolarHBondContact OD1-N 3.27Å; D179-H182 CarbonylContact O-C 3.56Å; D179-H182 VanDerWaalsContact O-C 3.3Å; D179-H182 PolarHBondContact O-N 3.41Å; D179-H182 PolarHBondContact OD1-N 3.42Å; D179-H182 IonicContact OD2-CD2 2.79Å | ||
| 180 | M | 49.3 | Very low | 78.1 | Confident | 137 Ų | 137 | 52.4 Ų | 52.4 | 68% | 0.675 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -67.9 | -24.6 | 177.5 | -67.3 | -70.3 | -77.8 | 0 | 0 | 111.9 | G178 | G178-M180 PolarHBondContact O-N 2.94Š|
| 181 | A | 51.9 | Low | 78.1 | Confident | 73 Ų | 73 | 52.4 Ų | 52.4 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -79.3 | -30.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D179 | D179-A181 PolarHBondContact O-N 3.31Å; D179-A181 WeakPolarHBondContact OD1-CB 3.5Å; D179-A181 PolarHBondContact OD1-N 3.27Å |
| 182 | H | 57.9 | Low | 78 | Confident | 111 Ų | 111 | 53.1 Ų | 53.1 | 51% | 0.514 | 30% | 0.295 | S | S | . | . | trans | -137.3 | 76.7 | -177.6 | -61.2 | -51.5 | 0 | 0 | 0 | 112 | D179 N184 E185 | D179-H182 CarbonylContact O-C 3.56Å; D179-H182 VanDerWaalsContact O-C 3.3Å; D179-H182 PolarHBondContact O-N 3.41Å; D179-H182 PolarHBondContact OD1-N 3.42Å; D179-H182 IonicContact OD2-CD2 2.79Å; H182-N184 PolarHBondContact O-N 2.92Å; H182-E185 HydrophobicContact CB-CB 4.27Å; H182-E185 PolarHBondContact O-N 3.12Å | ||
| 183 | P | 57.5 | Low | 77.9 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 68% | 0.675 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -15.5 | -175.1 | 20.6 | -32 | 0 | 0 | 0 | 115.2 | ||
| 184 | N | 65.1 | Low | 77.8 | Confident | 166 Ų | 166 | 51 Ų | 51 | 89% | 0.888 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -10.8 | 177.5 | -69.6 | -12.4 | 0 | 0 | 0 | 113.8 | H182 | H182-N184 PolarHBondContact O-N 2.92Š|
| 185 | E | 71 | Confident | 77.6 | Confident | 124 Ų | 124 | 50.9 Ų | 50.9 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -108.2 | 109.5 | -179 | -161.9 | 167.2 | -168.1 | 0 | 0 | 109.4 | H182 | H182-E185 HydrophobicContact CB-CB 4.27Å; H182-E185 PolarHBondContact O-N 3.12Å |
| 186 | L | 80.8 | Confident | 77.5 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | trans | -81 | 137.6 | 179.9 | -68 | 172.5 | 0 | 0 | 0 | 110.1 | S214 R216 | L186-S214 VanDerWaalsContact CD1-O 3.29Å; L186-S214 WeakPolarHBondContact CD1-O 3.49Å; L186-R216 HydrophobicContact CD2-CB 4.07Å | ||
| 187 | P | 83.4 | Confident | 77.2 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.032 | 29% | 0.286 | C | S | . | . | trans | -74.8 | 154.2 | -175.6 | 26.7 | -30.1 | 0 | 0 | 0 | 112.9 | I177 T189 S214 D243 I255 | I177-P187 HydrophobicContact CG2-CG 3.64Å; P187-T189 HydrophobicContact CB-CG2 4.11Å; P187-T189 HydrophobicContact CG-CG2 3.94Å; P187-S214 PolarHBondContact O-N 3.06Å; P187-D243 WeakPolarHBondContact CA-OD1 3.47Å; P187-D243 HydrophobicContact CB-CB 4.07Å; P187-D243 VanDerWaalsContact CB-CG 3.46Å; P187-D243 WeakPolarHBondContact CB-OD1 3.23Å; P187-I255 HydrophobicContact CB-CD1 4Å; P187-I255 HydrophobicContact CG-CD1 4.23Å | ||
| 188 | N | 88.3 | Confident | 76.3 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | trans | -93.6 | 96.7 | 170.1 | -62.8 | -41.4 | 0 | 0 | 0 | 108.7 | I211 I212 E213 S214 D243 I244 | N188-I211 HydrophobicContact CB-CG2 4.18Å; N188-I212 CarbonylContact C-O 3.33Å; N188-I212 WeakPolarHBondContact CA-O 3.36Å; N188-E213 VanDerWaalsContact OD1-CA 3.25Å; N188-E213 WeakPolarHBondContact OD1-CA 3.33Å; N188-E213 WeakPolarHBondContact OD1-CB 3.33Å; N188-S214 PolarHBondContact OD1-N 3.29Å; N188-D243 PolarHBondContact N-OD1 3.25Å; N188-D243 CarbonylContact O-C 3.53Å; N188-D243 WeakPolarHBondContact O-CA 3.12Å; N188-I244 HydrophobicContact CB-CB 4.2Å; N188-I244 WeakPolarHBondContact CB-O 3.4Å; N188-I244 PolarHBondContact ND2-O 3.43Å; N188-I244 PolarHBondContact O-N 2.81Å | ||
| 189 | T | 91.1 | Very high | 75.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 140.2 | -163.7 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | I177 P187 I211 I212 P218 L241 F242 I255 | I177-T189 HydrophobicContact CG2-CG2 4.09Å; P187-T189 HydrophobicContact CB-CG2 4.11Å; P187-T189 HydrophobicContact CG-CG2 3.94Å; T189-I211 WeakPolarHBondContact O-CA 3.32Å; T189-I212 PolarHBondContact N-O 3.07Å; T189-I212 PolarHBondContact O-N 3.47Å; T189-I212 PolarHBondContact OG1-O 2.99Å; T189-P218 HydrophobicContact CG2-CG 4.16Å; T189-P218 WeakPolarHBondContact OG1-CB 3.47Å; T189-P218 VanDerWaalsContact OG1-CG 3.3Å; T189-P218 WeakPolarHBondContact OG1-CG 3.47Å; T189-L241 HydrophobicContact CG2-CD1 4.38Å; T189-F242 WeakPolarHBondContact CA-O 3.46Å; T189-I255 HydrophobicContact CG2-CD1 4.27Å |
| 190 | C | 91.5 | Very high | 75.8 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 134.8 | 171 | -178 | 0 | 0 | 0 | 0 | 110 | F192 I211 F242 I244 | C190-F192 HydrophobicContact CB-CE2 4.46Å; C190-I211 HydrophobicContact CB-CG1 4.18Å; C190-F242 PolarHBondContact N-O 3.02Å; C190-F242 PolarHBondContact O-N 2.82Å; C190-I244 HydrophobicContact CB-CD1 4.15Å; C190-I244 HydrophobicContact CB-CG1 4.05Å |
| 191 | L | 93.7 | Very high | 76.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.1 | 176.2 | -78.2 | 170 | 0 | 0 | 0 | 110.8 | L172 A208 T209 F220 L241 I296 | L172-L191 HydrophobicContact CB-CD1 3.72Å; L172-L191 HydrophobicContact CD1-CB 4.27Å; L172-L191 HydrophobicContact CD1-CD1 3.9Å; L172-L191 HydrophobicContact CD2-CD1 4.45Å; L172-L191 HydrophobicContact CG-CD1 4.23Å; L191-A208 VanDerWaalsContact O-CA 3.23Å; L191-A208 WeakPolarHBondContact O-CA 3.3Å; L191-T209 HydrophobicContact CB-CG2 3.84Å; L191-T209 PolarHBondContact N-OG1 2.94Å; L191-T209 PolarHBondContact O-N 3.16Å; L191-F220 HydrophobicContact CD1-CD2 3.87Å; L191-F220 HydrophobicContact CD1-CE2 3.41Å; L191-F220 VanDerWaalsContact CD1-CE2 3.41Å; L191-F220 HydrophobicContact CD1-CZ 4.1Å; L191-F220 HydrophobicContact CG-CE2 3.95Å; L191-F220 HydrophobicContact CG-CZ 4.12Å; L191-L241 HydrophobicContact CD2-CB 3.73Å; L191-L241 HydrophobicContact CD2-CD1 3.61Å; L191-L241 HydrophobicContact CD2-CG 4.26Å; L191-L241 HydrophobicContact CG-CD1 3.76Å; L191-I296 HydrophobicContact CD1-CG2 4.44Å; L191-I296 HydrophobicContact CD2-CD1 3.56Å; L191-I296 HydrophobicContact CD2-CG1 4.33Å |
| 192 | F | 92.2 | Very high | 77.9 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.2 | 167.4 | -72.6 | -93.6 | 0 | 0 | 0 | 109.7 | P154 C190 A208 S240 F242 | P154-F192 HydrophobicContact CB-CD1 4.32Å; P154-F192 HydrophobicContact CB-CE1 3.36Å; P154-F192 HydrophobicContact CB-CE2 4.23Å; P154-F192 HydrophobicContact CB-CZ 3.31Å; P154-F192 HydrophobicContact CG-CZ 4.25Å; C190-F192 HydrophobicContact CB-CE2 4.46Å; F192-A208 HydrophobicContact CD1-CB 3.66Å; F192-A208 HydrophobicContact CE1-CB 3.6Å; F192-A208 HydrophobicContact CG-CB 4.27Å; F192-A208 HydrophobicContact CZ-CB 4.18Å; F192-S240 PolarHBondContact N-O 3.33Å; F192-S240 PolarHBondContact O-N 3.18Å; F192-F242 HydrophobicContact CB-CE2 4.24Å; F192-F242 AromaticContact CD2-CD2 3.45Å; F192-F242 HydrophobicContact CD2-CD2 3.45Å; F192-F242 VanDerWaalsContact CD2-CD2 3.45Å; F192-F242 AromaticContact CD2-CE2 3.66Å; F192-F242 HydrophobicContact CD2-CE2 3.66Å; F192-F242 HydrophobicContact CD2-CG 4.37Å; F192-F242 HydrophobicContact CE2-CD2 4.03Å; F192-F242 HydrophobicContact CE2-CE2 4.44Å; F192-F242 HydrophobicContact CG-CD2 4.42Å; F192-F242 HydrophobicContact CG-CE2 4.24Å |
| 193 | V | 93.4 | Very high | 79.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.2 | -179.4 | -170 | 0 | 0 | 0 | 0 | 109 | L172 V206 G207 I224 I237 R238 F239 | L172-V193 HydrophobicContact CD1-CG2 3.91Å; V193-V206 HydrophobicContact CB-CG2 3.81Å; V193-V206 HydrophobicContact CG1-CG2 3.56Å; V193-V206 VanDerWaalsContact O-CG2 3.22Å; V193-V206 WeakPolarHBondContact O-CG2 3.43Å; V193-V206 PolarHBondContact O-N 3.29Å; V193-G207 PolarHBondContact N-O 2.94Å; V193-G207 PolarHBondContact O-N 3.48Å; V193-I224 HydrophobicContact CB-CG2 4.33Å; V193-I224 HydrophobicContact CG1-CG2 4.49Å; V193-I224 HydrophobicContact CG2-CG1 3.95Å; V193-I224 HydrophobicContact CG2-CG2 4.48Å; V193-I237 HydrophobicContact CG1-CD1 3.64Å; V193-I237 HydrophobicContact CG1-CG1 3.75Å; V193-R238 WeakPolarHBondContact CA-O 3.17Å; V193-F239 HydrophobicContact CG1-CD1 4.12Å; V193-F239 HydrophobicContact CG1-CE1 3.91Å; V193-F239 HydrophobicContact CG2-CD1 3.79Å; V193-F239 HydrophobicContact CG2-CE1 4.05Å |
| 194 | S | 91.5 | Very high | 80.4 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146.9 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | T204 I237 R238 | S194-T204 CarbonylContact C-O 3.53Å; S194-T204 WeakPolarHBondContact CA-O 3.45Å; S194-T204 WeakPolarHBondContact CB-O 3.38Å; S194-I237 CarbonylContact O-C 3.51Å; S194-I237 WeakPolarHBondContact O-CA 3.42Å; S194-R238 PolarHBondContact N-O 2.7Å; S194-R238 PolarHBondContact O-N 2.98Å |
| 195 | V | 90.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.7 | 178.4 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | T197 T204 V206 L226 N235 S236 I237 | V195-T197 HydrophobicContact CG1-CG2 4.44Å; V195-T204 PolarHBondContact N-O 2.99Å; V195-T204 PolarHBondContact O-N 2.91Å; V195-V206 HydrophobicContact CB-CG1 3.94Å; V195-V206 HydrophobicContact CG2-CG1 3.67Å; V195-V206 HydrophobicContact CG2-CG2 4.04Å; V195-L226 HydrophobicContact CG2-CD2 4.09Å; V195-N235 HydrophobicContact CG1-CB 4.13Å; V195-S236 CarbonylContact C-O 3.58Å; V195-S236 WeakPolarHBondContact CA-O 3.23Å; V195-I237 HydrophobicContact CG2-CB 4.41Å; V195-I237 HydrophobicContact CG2-CD1 4.31Å; V195-I237 HydrophobicContact CG2-CG1 4.11Å |
| 196 | S | 87.6 | Confident | 82.2 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.6 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 110 | S198 S236 | S196-S198 PolarHBondContact OG-O 3.36Å; S196-S236 PolarHBondContact N-O 2.76Å; S196-S236 PolarHBondContact O-N 2.67Å |
| 197 | T | 77.9 | Confident | 82.6 | Confident | 77 Ų | 77 | 45.9 Ų | 45.9 | 47% | 0.472 | 24% | 0.243 | S | C | . | . | trans | -95.9 | -2.5 | -177 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | V195 L230 N235 | V195-T197 HydrophobicContact CG1-CG2 4.44Å; T197-L230 HydrophobicContact CG2-CD2 4.3Å; T197-N235 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 198 | S | 63.7 | Low | 83 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -143 | 156.4 | -176 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | S196 K200 | S196-S198 PolarHBondContact OG-O 3.36Å; S198-K200 PolarHBondContact O-N 3.23Å; S198-K200 PolarHBondContact OG-N 3.18Å |
| 199 | L | 57.3 | Low | 83.3 | Confident | 185 Ų | 185 | 44.6 Ų | 44.6 | 97% | 0.969 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -57 | -14 | 169.3 | -72.5 | 161.8 | 0 | 0 | 0 | 113.1 | N201 | L199-N201 PolarHBondContact O-N 3.32Š|
| 200 | K | 56.5 | Low | 83.3 | Confident | 167 Ų | 167 | 45 Ų | 45 | 73% | 0.726 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -83.9 | 35.5 | 178.9 | -67 | -172.3 | 175.9 | -179.3 | 0 | 113.2 | S198 N202 | S198-K200 PolarHBondContact O-N 3.23Å; S198-K200 PolarHBondContact OG-N 3.18Å; K200-N202 VanDerWaalsContact O-CG 3.28Å; K200-N202 PolarHBondContact O-N 3.49Å; K200-N202 PolarHBondContact O-OD1 3.4Å |
| 201 | N | 65.1 | Low | 83.3 | Confident | 128 Ų | 128 | 47.7 Ų | 47.7 | 68% | 0.684 | 25% | 0.253 | S | S | * | . | trans | 39.6 | 29.2 | 169.1 | -84.5 | -9 | 0 | 0 | 0 | 117.2 | L199 W203 | L199-N201 PolarHBondContact O-N 3.32Å; N201-W203 PolarHBondContact O-N 3.01Å | ||
| 202 | N | 79.4 | Confident | 83.1 | Confident | 109 Ų | 109 | 49.1 Ų | 49.1 | 58% | 0.583 | 26% | 0.26 | S | S | * | . | trans | -93.5 | 105.9 | -176.7 | -81.1 | -17.3 | 0 | 0 | 0 | 107.6 | K200 | K200-N202 VanDerWaalsContact O-CG 3.28Å; K200-N202 PolarHBondContact O-N 3.49Å; K200-N202 PolarHBondContact O-OD1 3.4Å | ||
| 203 | W | 84.6 | Confident | 82.9 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 25% | 0.25 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 113.7 | 179.9 | -67.9 | 93.5 | 0 | 0 | 0 | 110.6 | N201 R238 I259 | N201-W203 PolarHBondContact O-N 3.01Å; W203-R238 VanDerWaalsContact CD1-NH1 3.31Å; W203-R238 HydrophobicContact CD2-CB 4.34Å; W203-R238 HydrophobicContact CE3-CB 3.67Å; W203-R238 HydrophobicContact CH2-CB 3.66Å; W203-R238 HydrophobicContact CZ2-CB 4.33Å; W203-R238 HydrophobicContact CZ3-CB 3.3Å; W203-R238 VanDerWaalsContact NE1-NH1 3.16Å; W203-I259 HydrophobicContact CH2-CD1 4.04Å; W203-I259 HydrophobicContact CH2-CG1 4.11Å; W203-I259 HydrophobicContact CH2-CG2 3.86Å; W203-I259 HydrophobicContact CZ2-CD1 3.79Å; W203-I259 HydrophobicContact CZ2-CG1 4.36Å |
| 204 | T | 84.9 | Confident | 82.5 | Confident | 50 Ų | 50 | 57.3 Ų | 57.3 | 31% | 0.307 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.3 | 173.2 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | V158 S194 V195 V206 | V158-T204 HydrophobicContact CG2-CG2 4.12Å; S194-T204 CarbonylContact C-O 3.53Å; S194-T204 WeakPolarHBondContact CA-O 3.45Å; S194-T204 WeakPolarHBondContact CB-O 3.38Å; V195-T204 PolarHBondContact N-O 2.99Å; V195-T204 PolarHBondContact O-N 2.91Å; T204-V206 PolarHBondContact O-N 2.81Å |
| 205 | P | 86.9 | Confident | 82.4 | Confident | 20 Ų | 20 | 58 Ų | 58 | 13% | 0.13 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 125.4 | 175.7 | 31.1 | -37.3 | 0 | 0 | 0 | 110.3 | P155 T156 | P155-P205 HydrophobicContact CB-CB 3.97Å; P155-P205 HydrophobicContact CB-CG 3.98Å; P155-P205 HydrophobicContact CG-CB 3.83Å; P155-P205 HydrophobicContact CG-CG 4.4Å; T156-P205 WeakPolarHBondContact O-CG 3.13Å |
| 206 | V | 87 | Confident | 82.2 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -19.7 | -178.9 | -63.7 | 0 | 0 | 0 | 0 | 113 | V193 V195 T204 I224 L226 L230 | V193-V206 HydrophobicContact CB-CG2 3.81Å; V193-V206 HydrophobicContact CG1-CG2 3.56Å; V193-V206 VanDerWaalsContact O-CG2 3.22Å; V193-V206 WeakPolarHBondContact O-CG2 3.43Å; V193-V206 PolarHBondContact O-N 3.29Å; V195-V206 HydrophobicContact CB-CG1 3.94Å; V195-V206 HydrophobicContact CG2-CG1 3.67Å; V195-V206 HydrophobicContact CG2-CG2 4.04Å; T204-V206 PolarHBondContact O-N 2.81Å; V206-I224 HydrophobicContact CG2-CG2 4.3Å; V206-L226 HydrophobicContact CB-CD2 3.96Å; V206-L226 HydrophobicContact CG1-CD2 4.22Å; V206-L226 HydrophobicContact CG2-CD2 3.71Å; V206-L230 HydrophobicContact CG1-CD1 3.8Å |
| 207 | G | 88.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | 173.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | V193 | V193-G207 PolarHBondContact N-O 2.94Å; V193-G207 PolarHBondContact O-N 3.48Å |
| 208 | A | 91.7 | Very high | 83 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 147.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I157 L191 F192 K222 | I157-A208 HydrophobicContact CD1-CB 3.74Å; L191-A208 VanDerWaalsContact O-CA 3.23Å; L191-A208 WeakPolarHBondContact O-CA 3.3Å; F192-A208 HydrophobicContact CD1-CB 3.66Å; F192-A208 HydrophobicContact CE1-CB 3.6Å; F192-A208 HydrophobicContact CG-CB 4.27Å; F192-A208 HydrophobicContact CZ-CB 4.18Å; A208-K222 WeakPolarHBondContact O-CD 3.45Å; A208-K222 WeakPolarHBondContact O-CE 3.43Å; A208-K222 PolarHBondContact O-NZ 3.34Å |
| 209 | T | 93.9 | Very high | 84.4 | Confident | 7 Ų | 7 | 64.6 Ų | 64.6 | 4% | 0.043 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 173.7 | 175.6 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | L172 L191 F220 | L172-T209 HydrophobicContact CD1-CG2 3.82Å; L191-T209 HydrophobicContact CB-CG2 3.84Å; L191-T209 PolarHBondContact N-OG1 2.94Å; L191-T209 PolarHBondContact O-N 3.16Å; T209-F220 VanDerWaalsContact CB-CD1 3.4Å; T209-F220 HydrophobicContact CG2-CB 3.91Å; T209-F220 HydrophobicContact CG2-CD1 3.96Å; T209-F220 HydrophobicContact CG2-CD2 4.21Å; T209-F220 HydrophobicContact CG2-CG 3.75Å; T209-F220 VanDerWaalsContact OG1-CD1 3.23Å; T209-F220 WeakPolarHBondContact OG1-CD1 3.36Å; T209-F220 VanDerWaalsContact OG1-CE1 3.28Å; T209-F220 WeakPolarHBondContact OG1-CE1 3.29Å |
| 210 | E | 92.2 | Very high | 86.3 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 167.1 | 162.5 | 73.9 | -90.1 | -139.6 | 0 | 0 | 111.8 | I212 F220 S221 K222 T1005 | E210-I212 HydrophobicContact CG-CD1 3.78Å; E210-I212 HydrophobicContact CG-CG1 4.34Å; E210-F220 WeakPolarHBondContact O-CD1 3.4Å; E210-F220 WeakPolarHBondContact O-CE1 3.46Å; E210-S221 WeakPolarHBondContact OE1-CA 3.47Å; E210-S221 WeakPolarHBondContact OE1-CB 3.28Å; E210-S221 PolarHBondContact OE1-N 3.21Å; E210-S221 PolarHBondContact OE1-OG 3.27Å; E210-S221 PolarHBondContact OE2-N 3.16Å; E210-K222 VanDerWaalsContact OE2-CB 3.29Å; E210-K222 WeakPolarHBondContact OE2-CB 3.27Å; E210-K222 PolarHBondContact OE2-N 3.35Å; E210-T1005 HydrophobicContact CB-CG2 3.68Å |
| 211 | I | 90.7 | Very high | 88.1 | Confident | 63 Ų | 63 | 48 Ų | 48 | 32% | 0.323 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 124.1 | 172.5 | -58 | 169.9 | 0 | 0 | 0 | 108.4 | N188 T189 C190 I244 V247 | N188-I211 HydrophobicContact CB-CG2 4.18Å; T189-I211 WeakPolarHBondContact O-CA 3.32Å; C190-I211 HydrophobicContact CB-CG1 4.18Å; I211-I244 HydrophobicContact CD1-CG1 4.11Å; I211-I244 HydrophobicContact CD1-CG2 4.31Å; I211-I244 HydrophobicContact CG1-CG1 4.19Å; I211-I244 HydrophobicContact CG2-CG1 4.3Å; I211-V247 HydrophobicContact CD1-CG1 3.79Å; I211-V247 HydrophobicContact CD1-CG2 4.42Å |
| 212 | I | 90.2 | Very high | 89.6 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -105.5 | 113.6 | 172.7 | -59 | -62.1 | 0 | 0 | 0 | 108.7 | N188 T189 E210 P218 F220 | N188-I212 CarbonylContact C-O 3.33Å; N188-I212 WeakPolarHBondContact CA-O 3.36Å; T189-I212 PolarHBondContact N-O 3.07Å; T189-I212 PolarHBondContact O-N 3.47Å; T189-I212 PolarHBondContact OG1-O 2.99Å; E210-I212 HydrophobicContact CG-CD1 3.78Å; E210-I212 HydrophobicContact CG-CG1 4.34Å; I212-P218 HydrophobicContact CB-CB 3.86Å; I212-P218 HydrophobicContact CG1-CB 4.26Å; I212-P218 HydrophobicContact CG2-CB 3.81Å; I212-F220 HydrophobicContact CB-CE1 4.28Å; I212-F220 HydrophobicContact CG1-CD1 3.66Å; I212-F220 HydrophobicContact CG1-CE1 3.67Å |
| 213 | E | 87.6 | Confident | 90.3 | Very high | 125 Ų | 125 | 37.1 Ų | 37.1 | 58% | 0.584 | 19% | 0.193 | S | C | * | . | trans | -77.5 | 143.8 | -176.2 | -61.5 | -178.5 | 177.8 | 0 | 0 | 112.4 | N188 S215 | N188-E213 VanDerWaalsContact OD1-CA 3.25Å; N188-E213 WeakPolarHBondContact OD1-CA 3.33Å; N188-E213 WeakPolarHBondContact OD1-CB 3.33Å; E213-S215 VanDerWaalsContact C-N 3.34Å; E213-S215 PolarHBondContact O-N 3.44Å; E213-S215 VanDerWaalsContact O-N 3.16Å | ||
| 214 | S | 85.9 | Confident | 90.6 | Very high | 75 Ų | 75 | 34 Ų | 34 | 52% | 0.524 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 43.8 | 50.1 | 168.7 | -59.8 | 0 | 0 | 0 | 0 | 115.1 | L186 P187 N188 | L186-S214 VanDerWaalsContact CD1-O 3.29Å; L186-S214 WeakPolarHBondContact CD1-O 3.49Å; P187-S214 PolarHBondContact O-N 3.06Å; N188-S214 PolarHBondContact OD1-N 3.29Å |
| 215 | S | 87.9 | Confident | 90.8 | Very high | 29 Ų | 29 | 31.9 Ų | 31.9 | 20% | 0.203 | 17% | 0.168 | C | C | . | . | trans | -129.4 | 132.3 | -177.7 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | E213 N217 | E213-S215 VanDerWaalsContact C-N 3.34Å; E213-S215 PolarHBondContact O-N 3.44Å; E213-S215 VanDerWaalsContact O-N 3.16Å; S215-N217 VanDerWaalsContact OG-C 3.31Å; S215-N217 PolarHBondContact OG-N 3.27Å; S215-N217 PolarHBondContact OG-O 2.97Å | ||
| 216 | R | 86.5 | Confident | 90.8 | Very high | 138 Ų | 138 | 31 Ų | 31 | 52% | 0.521 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -77.4 | -26.6 | 171.9 | -172.9 | 165.2 | -170.9 | 177 | 1.3 | 112.8 | N176 I177 L186 | N176-R216 PolarHBondContact N-O 2.93Å; I177-R216 PolarHBondContact N-O 3.35Å; I177-R216 WeakPolarHBondContact O-CA 3.38Å; I177-R216 WeakPolarHBondContact O-CG 3.42Å; L186-R216 HydrophobicContact CD2-CB 4.07Å |
| 217 | N | 90.9 | Very high | 90.5 | Very high | 72 Ų | 72 | 33.9 Ų | 33.9 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -131.3 | 66.8 | -177.6 | -58.8 | -51.7 | 0 | 0 | 0 | 109.6 | C174 L175 N176 S215 V219 | C174-N217 CarbonylContact O-C 3.57Å; C174-N217 VanDerWaalsContact O-CA 3.27Å; C174-N217 WeakPolarHBondContact O-CA 3.33Å; L175-N217 WeakPolarHBondContact CA-OD1 3.42Å; N176-N217 PolarHBondContact N-OD1 3.23Å; S215-N217 VanDerWaalsContact OG-C 3.31Å; S215-N217 PolarHBondContact OG-N 3.27Å; S215-N217 PolarHBondContact OG-O 2.97Å; N217-V219 PolarHBondContact O-N 3.28Å |
| 218 | P | 92.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -63.7 | 132.9 | -177 | 28.3 | -37.6 | 0 | 0 | 0 | 111.4 | K173 C174 T189 I212 F220 | K173-P218 CarbonylContact C-O 3.3Å; K173-P218 WeakPolarHBondContact CA-O 3.41Å; C174-P218 HydrophobicContact CB-CG 3.62Å; C174-P218 PolarHBondContact N-O 3.19Å; T189-P218 HydrophobicContact CG2-CG 4.16Å; T189-P218 WeakPolarHBondContact OG1-CB 3.47Å; T189-P218 VanDerWaalsContact OG1-CG 3.3Å; T189-P218 WeakPolarHBondContact OG1-CG 3.47Å; I212-P218 HydrophobicContact CB-CB 3.86Å; I212-P218 HydrophobicContact CG1-CB 4.26Å; I212-P218 HydrophobicContact CG2-CB 3.81Å; P218-F220 HydrophobicContact CB-CE1 4.4Å; P218-F220 HydrophobicContact CB-CE2 4.13Å; P218-F220 HydrophobicContact CB-CZ 3.85Å; P218-F220 HydrophobicContact CG-CE2 4.19Å; P218-F220 HydrophobicContact CG-CZ 4.07Å | ||
| 219 | V | 93.4 | Very high | 89.7 | Confident | 64 Ų | 64 | 43 Ų | 43 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -117.6 | 108.7 | 175.8 | 176 | 0 | 0 | 0 | 0 | 108.2 | K173 N217 K997 | K173-V219 HydrophobicContact CB-CG2 4.48Å; K173-V219 HydrophobicContact CD-CG1 4.24Å; K173-V219 HydrophobicContact CD-CG2 4.14Å; K173-V219 HydrophobicContact CG-CB 4.44Å; K173-V219 HydrophobicContact CG-CG1 4.1Å; K173-V219 HydrophobicContact CG-CG2 4.18Å; N217-V219 PolarHBondContact O-N 3.28Å; V219-K997 PolarHBondContact O-NZ 3.33Å |
| 220 | F | 95.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | trans | -82.4 | 139.3 | -177.4 | -54.8 | -79.6 | 0 | 0 | 0 | 110.5 | L172 L191 T209 E210 I212 P218 | L172-F220 HydrophobicContact CB-CD2 4.02Å; L172-F220 WeakPolarHBondContact O-CD2 3.29Å; L172-F220 PolarHBondContact O-N 3.32Å; L191-F220 HydrophobicContact CD1-CD2 3.87Å; L191-F220 HydrophobicContact CD1-CE2 3.41Å; L191-F220 VanDerWaalsContact CD1-CE2 3.41Å; L191-F220 HydrophobicContact CD1-CZ 4.1Å; L191-F220 HydrophobicContact CG-CE2 3.95Å; L191-F220 HydrophobicContact CG-CZ 4.12Å; T209-F220 VanDerWaalsContact CB-CD1 3.4Å; T209-F220 HydrophobicContact CG2-CB 3.91Å; T209-F220 HydrophobicContact CG2-CD1 3.96Å; T209-F220 HydrophobicContact CG2-CD2 4.21Å; T209-F220 HydrophobicContact CG2-CG 3.75Å; T209-F220 VanDerWaalsContact OG1-CD1 3.23Å; T209-F220 WeakPolarHBondContact OG1-CD1 3.36Å; T209-F220 VanDerWaalsContact OG1-CE1 3.28Å; T209-F220 WeakPolarHBondContact OG1-CE1 3.29Å; E210-F220 WeakPolarHBondContact O-CD1 3.4Å; E210-F220 WeakPolarHBondContact O-CE1 3.46Å; I212-F220 HydrophobicContact CB-CE1 4.28Å; I212-F220 HydrophobicContact CG1-CD1 3.66Å; I212-F220 HydrophobicContact CG1-CE1 3.67Å; P218-F220 HydrophobicContact CB-CE1 4.4Å; P218-F220 HydrophobicContact CB-CE2 4.13Å; P218-F220 HydrophobicContact CB-CZ 3.85Å; P218-F220 HydrophobicContact CG-CE2 4.19Å; P218-F220 HydrophobicContact CG-CZ 4.07Å | ||
| 221 | S | 95.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | trans | -98.2 | -34.6 | -178.7 | -25.4 | 0 | 0 | 0 | 0 | 110 | E210 T223 Y332 K333 K997 | E210-S221 WeakPolarHBondContact OE1-CA 3.47Å; E210-S221 WeakPolarHBondContact OE1-CB 3.28Å; E210-S221 PolarHBondContact OE1-N 3.21Å; E210-S221 PolarHBondContact OE1-OG 3.27Å; E210-S221 PolarHBondContact OE2-N 3.16Å; S221-T223 PolarHBondContact O-N 3.49Å; S221-Y332 CarbonylContact O-C 3.59Å; S221-Y332 VanDerWaalsContact O-CA 3.28Å; S221-Y332 WeakPolarHBondContact O-CA 3.44Å; S221-K333 WeakPolarHBondContact CB-O 3.41Å; S221-K333 PolarHBondContact O-N 2.82Å; S221-K997 WeakPolarHBondContact OG-CE 3.25Å; S221-K997 PolarHBondContact OG-NZ 2.84Å | ||
| 222 | K | 95.6 | Very high | 88.3 | Confident | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -70.4 | 127.8 | 169.9 | 179.1 | 172.7 | 173.8 | -158.8 | 0 | 109.4 | E160 A208 E210 Y332 T1005 | E160-K222 WeakPolarHBondContact OE1-CE 3.31Å; E160-K222 IonicContact OE1-NZ 3.62Å; E160-K222 PolarHBondContact OE1-NZ 2.86Å; E160-K222 VanDerWaalsContact OE1-NZ 3.07Å; A208-K222 WeakPolarHBondContact O-CD 3.45Å; A208-K222 WeakPolarHBondContact O-CE 3.43Å; A208-K222 PolarHBondContact O-NZ 3.34Å; E210-K222 VanDerWaalsContact OE2-CB 3.29Å; E210-K222 WeakPolarHBondContact OE2-CB 3.27Å; E210-K222 PolarHBondContact OE2-N 3.35Å; K222-Y332 HydrophobicContact CB-CD1 4.2Å; K222-Y332 HydrophobicContact CB-CE1 4.21Å; K222-Y332 HydrophobicContact CG-CE1 4.32Å; K222-T1005 HydrophobicContact CD-CG2 4.08Å |
| 223 | T | 93.5 | Very high | 88 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | trans | -96.4 | 156.8 | 174.8 | 67.7 | 0 | 0 | 0 | 0 | 110 | E169 I170 I171 S221 R331 K333 | E169-T223 HydrophobicContact CG-CG2 4.41Å; E169-T223 WeakPolarHBondContact OE1-CB 3.16Å; E169-T223 WeakPolarHBondContact OE1-CG2 3.45Å; E169-T223 PolarHBondContact OE1-OG1 2.7Å; I170-T223 WeakPolarHBondContact O-CA 3.46Å; I170-T223 WeakPolarHBondContact O-CB 3.26Å; I171-T223 HydrophobicContact CG1-CG2 3.83Å; S221-T223 PolarHBondContact O-N 3.49Å; T223-R331 PolarHBondContact N-O 3.1Å; T223-R331 WeakPolarHBondContact OG1-CB 3.47Å; T223-R331 PolarHBondContact OG1-O 3.31Å; T223-K333 HydrophobicContact CG2-CB 4.17Å | ||
| 224 | I | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.5 | 177.2 | -54.9 | -56.7 | 0 | 0 | 0 | 107.8 | I170 L172 V193 V206 | I170-I224 HydrophobicContact CB-CB 4.27Å; I170-I224 WeakPolarHBondContact CB-O 3.35Å; I170-I224 PolarHBondContact N-O 3.24Å; I170-I224 PolarHBondContact O-N 2.94Å; L172-I224 HydrophobicContact CD1-CG1 4.08Å; V193-I224 HydrophobicContact CB-CG2 4.33Å; V193-I224 HydrophobicContact CG1-CG2 4.49Å; V193-I224 HydrophobicContact CG2-CG1 3.95Å; V193-I224 HydrophobicContact CG2-CG2 4.48Å; V206-I224 HydrophobicContact CG2-CG2 4.3Å |
| 225 | F | 88.4 | Confident | 88 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.9 | -179.8 | -172.8 | -104.5 | 0 | 0 | 0 | 110.6 | D165 E169 Q303 R331 | D165-F225 HydrophobicContact CB-CE1 4.06Å; D165-F225 VanDerWaalsContact O-CZ 3.31Å; D165-F225 WeakPolarHBondContact O-CZ 3.25Å; E169-F225 HydrophobicContact CB-CD2 4.44Å; F225-Q303 HydrophobicContact CE2-CB 4.13Å; F225-Q303 HydrophobicContact CE2-CG 4.17Å; F225-R331 VanDerWaalsContact CD2-NE 3.26Å; F225-R331 VanDerWaalsContact CE2-CZ 3.48Å; F225-R331 VanDerWaalsContact CE2-NH2 3.28Å |
| 226 | L | 87.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.1 | 171.2 | -58.2 | -176.1 | 0 | 0 | 0 | 109.5 | G167 L168 I170 V195 V206 I231 I237 L262 | G167-L226 CarbonylContact C-O 3.53Å; G167-L226 WeakPolarHBondContact CA-O 3.46Å; L168-L226 HydrophobicContact CB-CB 4.25Å; L168-L226 HydrophobicContact CD2-CD1 4.44Å; L168-L226 PolarHBondContact N-O 3.37Å; L168-L226 PolarHBondContact O-N 3.18Å; I170-L226 HydrophobicContact CD1-CD1 3.55Å; I170-L226 HydrophobicContact CD1-CD2 4.47Å; I170-L226 HydrophobicContact CD1-CG 3.79Å; V195-L226 HydrophobicContact CG2-CD2 4.09Å; V206-L226 HydrophobicContact CB-CD2 3.96Å; V206-L226 HydrophobicContact CG1-CD2 4.22Å; V206-L226 HydrophobicContact CG2-CD2 3.71Å; L226-I231 HydrophobicContact CB-CD1 4.47Å; L226-I231 HydrophobicContact CB-CG1 4.25Å; L226-I237 HydrophobicContact CD1-CD1 4.01Å; L226-L262 HydrophobicContact CD1-CD2 3.77Å |
| 227 | R | 81.2 | Confident | 88.4 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 149.4 | 172.2 | -62 | -173.9 | -63.6 | 131.6 | 11.9 | 110.9 | D165 D229 L230 I231 | D165-R227 HydrophobicContact CB-CB 4.48Å; D165-R227 HydrophobicContact CB-CG 4.36Å; D165-R227 WeakPolarHBondContact OD2-CD 3.28Å; D165-R227 WeakPolarHBondContact OD2-CG 3.43Å; R227-D229 WeakPolarHBondContact CB-OD1 3.43Å; R227-D229 IonicContact CZ-OD1 3.2Å; R227-D229 IonicContact CZ-OD2 2.85Å; R227-D229 IonicContact NE-OD1 2.65Å; R227-D229 IonicContact NH1-OD1 3.02Å; R227-D229 PolarHBondContact NH1-OD1 3.26Å; R227-D229 IonicContact NH1-OD2 3.62Å; R227-D229 PolarHBondContact NH1-OD2 3.3Å; R227-D229 IonicContact NH2-OD1 3.22Å; R227-D229 PolarHBondContact NH2-OD1 2.83Å; R227-D229 IonicContact NH2-OD2 2.7Å; R227-D229 PolarHBondContact NH2-OD2 3.33Å; R227-D229 PolarHBondContact O-N 3.06Å; R227-D229 VanDerWaalsContact O-N 3.14Å; R227-L230 PolarHBondContact O-N 3.22Å; R227-I231 WeakPolarHBondContact O-CG1 3.46Å |
| 228 | H | 81.8 | Confident | 88.5 | Confident | 109 Ų | 109 | 40 Ų | 40 | 51% | 0.505 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -49.6 | -38.2 | 178.9 | -177.8 | -75.7 | 0 | 0 | 0 | 114.1 | E166 L230 I231 | E166-H228 HydrophobicContact CB-CB 4.39Å; E166-H228 WeakPolarHBondContact O-CA 3.2Å; E166-H228 VanDerWaalsContact O-CB 3.25Å; E166-H228 WeakPolarHBondContact O-CB 3.28Å; E166-H228 PolarHBondContact O-N 3.33Å; E166-H228 IonicContact OE2-CD2 2.66Å; H228-L230 PolarHBondContact O-N 2.73Å; H228-I231 PolarHBondContact O-N 2.93Å |
| 229 | D | 80.3 | Confident | 88.6 | Confident | 95 Ų | 95 | 39.9 Ų | 39.9 | 51% | 0.508 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -64.4 | -19.7 | -179.9 | 66.5 | -46.4 | 0 | 0 | 0 | 113.9 | R227 | R227-D229 WeakPolarHBondContact CB-OD1 3.43Å; R227-D229 IonicContact CZ-OD1 3.2Å; R227-D229 IonicContact CZ-OD2 2.85Å; R227-D229 IonicContact NE-OD1 2.65Å; R227-D229 IonicContact NH1-OD1 3.02Å; R227-D229 PolarHBondContact NH1-OD1 3.26Å; R227-D229 IonicContact NH1-OD2 3.62Å; R227-D229 PolarHBondContact NH1-OD2 3.3Å; R227-D229 IonicContact NH2-OD1 3.22Å; R227-D229 PolarHBondContact NH2-OD1 2.83Å; R227-D229 IonicContact NH2-OD2 2.7Å; R227-D229 PolarHBondContact NH2-OD2 3.33Å; R227-D229 PolarHBondContact O-N 3.06Å; R227-D229 VanDerWaalsContact O-N 3.14Å |
| 230 | L | 81.3 | Confident | 88.6 | Confident | 27 Ų | 27 | 37.4 Ų | 37.4 | 14% | 0.141 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -93.5 | -9.7 | 174.5 | -61.1 | 175.4 | 0 | 0 | 0 | 112.8 | T197 V206 R227 H228 D232 N235 L262 | T197-L230 HydrophobicContact CG2-CD2 4.3Å; V206-L230 HydrophobicContact CG1-CD1 3.8Å; R227-L230 PolarHBondContact O-N 3.22Å; H228-L230 PolarHBondContact O-N 2.73Å; L230-D232 PolarHBondContact O-N 3.06Å; L230-N235 PolarHBondContact O-ND2 2.8Å; L230-L262 WeakPolarHBondContact O-CD1 3.36Å |
| 231 | I | 82 | Confident | 88.4 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 21% | 0.21 | 19% | 0.185 | C | C | . | . | trans | -90.6 | 90.3 | -176.6 | -57.5 | 173.9 | 0 | 0 | 0 | 109.6 | L168 L226 R227 H228 L266 | L168-I231 HydrophobicContact CB-CD1 3.8Å; L226-I231 HydrophobicContact CB-CD1 4.47Å; L226-I231 HydrophobicContact CB-CG1 4.25Å; R227-I231 WeakPolarHBondContact O-CG1 3.46Å; H228-I231 PolarHBondContact O-N 2.93Å; I231-L266 HydrophobicContact CG2-CD1 3.93Å; I231-L266 HydrophobicContact CG2-CD2 4.03Å; I231-L266 HydrophobicContact CG2-CG 4.49Å | ||
| 232 | D | 84.2 | Confident | 88.1 | Confident | 73 Ų | 73 | 37.8 Ų | 37.8 | 39% | 0.39 | 19% | 0.188 | S | C | . | . | trans | -123.6 | 135.5 | 165.5 | -177.8 | -26 | 0 | 0 | 0 | 107.7 | L230 N234 N235 L262 | L230-D232 PolarHBondContact O-N 3.06Å; D232-N234 PolarHBondContact O-N 3.15Å; D232-N234 VanDerWaalsContact O-N 3.09Å; D232-N234 WeakPolarHBondContact OD1-CB 3.35Å; D232-N234 PolarHBondContact OD1-N 2.86Å; D232-N234 PolarHBondContact OD1-ND2 3.28Å; D232-N235 HydrophobicContact CB-CB 4.43Å; D232-N235 WeakPolarHBondContact O-CB 3.42Å; D232-N235 PolarHBondContact O-N 2.83Å; D232-L262 WeakPolarHBondContact O-CB 3.47Å | ||
| 233 | E | 84.1 | Confident | 87.7 | Confident | 98 Ų | 98 | 38 Ų | 38 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -28.8 | 175.9 | -71.2 | -171.3 | -168.1 | 0 | 0 | 113.3 | K263 L266 | E233-K263 HydrophobicContact CB-CB 4.05Å; E233-K263 HydrophobicContact CG-CB 4.33Å; E233-K263 IonicContact OE2-NZ 3.77Å; E233-L266 HydrophobicContact CG-CD1 4.2Å |
| 234 | N | 84.9 | Confident | 87.2 | Confident | 133 Ų | 133 | 38.7 Ų | 38.7 | 71% | 0.711 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -18.4 | 178.5 | -60.4 | -55.6 | 0 | 0 | 0 | 113.7 | D232 | D232-N234 PolarHBondContact O-N 3.15Å; D232-N234 VanDerWaalsContact O-N 3.09Å; D232-N234 WeakPolarHBondContact OD1-CB 3.35Å; D232-N234 PolarHBondContact OD1-N 2.86Å; D232-N234 PolarHBondContact OD1-ND2 3.28Å |
| 235 | N | 89.1 | Confident | 86.7 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.064 | 21% | 0.214 | C | C | . | . | trans | -71.4 | 143 | -179 | -69 | -12.3 | 0 | 0 | 0 | 110.4 | V195 T197 L230 D232 L262 | V195-N235 HydrophobicContact CG1-CB 4.13Å; T197-N235 WeakPolarHBondContact CA-OD1 3.38Å; L230-N235 PolarHBondContact O-ND2 2.8Å; D232-N235 HydrophobicContact CB-CB 4.43Å; D232-N235 WeakPolarHBondContact O-CB 3.42Å; D232-N235 PolarHBondContact O-N 2.83Å; N235-L262 HydrophobicContact CB-CD1 3.76Å; N235-L262 HydrophobicContact CB-CG 4.2Å; N235-L262 PolarHBondContact O-N 3.44Å | ||
| 236 | S | 90.6 | Very high | 85.9 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 143.9 | 174.5 | -63.6 | 0 | 0 | 0 | 0 | 110.3 | V195 S196 T260 | V195-S236 CarbonylContact C-O 3.58Å; V195-S236 WeakPolarHBondContact CA-O 3.23Å; S196-S236 PolarHBondContact N-O 2.76Å; S196-S236 PolarHBondContact O-N 2.67Å; S236-T260 WeakPolarHBondContact CA-O 3.48Å |
| 237 | I | 92.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.7 | 176.6 | -172 | 169.5 | 0 | 0 | 0 | 109.8 | I170 V193 S194 V195 L226 F239 I259 T260 L262 L265 | I170-I237 HydrophobicContact CD1-CD1 3.67Å; V193-I237 HydrophobicContact CG1-CD1 3.64Å; V193-I237 HydrophobicContact CG1-CG1 3.75Å; S194-I237 CarbonylContact O-C 3.51Å; S194-I237 WeakPolarHBondContact O-CA 3.42Å; V195-I237 HydrophobicContact CG2-CB 4.41Å; V195-I237 HydrophobicContact CG2-CD1 4.31Å; V195-I237 HydrophobicContact CG2-CG1 4.11Å; L226-I237 HydrophobicContact CD1-CD1 4.01Å; I237-F239 HydrophobicContact CD1-CE1 4.13Å; I237-F239 HydrophobicContact CD1-CE2 4.34Å; I237-F239 HydrophobicContact CD1-CZ 3.69Å; I237-F239 HydrophobicContact CG1-CE1 4.45Å; I237-F239 HydrophobicContact CG1-CE2 4.18Å; I237-F239 HydrophobicContact CG1-CZ 3.98Å; I237-F239 HydrophobicContact CG2-CE2 3.88Å; I237-F239 HydrophobicContact CG2-CZ 4.21Å; I237-I259 VanDerWaalsContact O-CA 3.31Å; I237-I259 WeakPolarHBondContact O-CA 3.05Å; I237-T260 HydrophobicContact CG2-CG2 3.48Å; I237-T260 VanDerWaalsContact CG2-CG2 3.48Å; I237-T260 WeakPolarHBondContact CG2-O 3.35Å; I237-T260 PolarHBondContact N-O 3.28Å; I237-T260 PolarHBondContact O-N 3.06Å; I237-L262 HydrophobicContact CB-CD2 4.07Å; I237-L262 HydrophobicContact CD1-CD2 4.16Å; I237-L262 HydrophobicContact CG2-CD2 4.1Å; I237-L265 HydrophobicContact CD1-CD1 4.1Å; I237-L265 HydrophobicContact CG2-CD1 3.58Å |
| 238 | R | 93 | Very high | 84.4 | Confident | 59 Ų | 59 | 50.9 Ų | 50.9 | 22% | 0.223 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134 | 179 | 176 | -177.4 | -101.4 | 162.9 | -9.9 | 109.2 | V193 S194 W203 S240 E257 T258 I259 | V193-R238 WeakPolarHBondContact CA-O 3.17Å; S194-R238 PolarHBondContact N-O 2.7Å; S194-R238 PolarHBondContact O-N 2.98Å; W203-R238 VanDerWaalsContact CD1-NH1 3.31Å; W203-R238 HydrophobicContact CD2-CB 4.34Å; W203-R238 HydrophobicContact CE3-CB 3.67Å; W203-R238 HydrophobicContact CH2-CB 3.66Å; W203-R238 HydrophobicContact CZ2-CB 4.33Å; W203-R238 HydrophobicContact CZ3-CB 3.3Å; W203-R238 VanDerWaalsContact NE1-NH1 3.16Å; R238-S240 WeakPolarHBondContact CD-OG 3.38Å; R238-E257 IonicContact CZ-OE1 3.92Å; R238-E257 IonicContact CZ-OE2 2.79Å; R238-E257 IonicContact NE-OE1 3.18Å; R238-E257 PolarHBondContact NE-OE1 3.35Å; R238-E257 IonicContact NE-OE2 3.92Å; R238-E257 PolarHBondContact NE-OE2 3.1Å; R238-E257 IonicContact NH2-OE1 3.52Å; R238-E257 PolarHBondContact NH2-OE1 2.77Å; R238-E257 IonicContact NH2-OE2 3.74Å; R238-T258 WeakPolarHBondContact CA-O 3.39Å; R238-I259 HydrophobicContact CB-CG1 3.98Å; R238-I259 HydrophobicContact CG-CG1 4.02Å |
| 239 | F | 94.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 116 | 168.6 | -54.1 | -87.6 | 0 | 0 | 0 | 108.3 | I170 L172 V193 I237 E257 T258 T260 L265 L273 I296 V298 | I170-F239 HydrophobicContact CG2-CE1 4.2Å; L172-F239 HydrophobicContact CD1-CD1 4.45Å; L172-F239 HydrophobicContact CD2-CD1 3.89Å; L172-F239 HydrophobicContact CD2-CE1 3.73Å; V193-F239 HydrophobicContact CG1-CD1 4.12Å; V193-F239 HydrophobicContact CG1-CE1 3.91Å; V193-F239 HydrophobicContact CG2-CD1 3.79Å; V193-F239 HydrophobicContact CG2-CE1 4.05Å; I237-F239 HydrophobicContact CD1-CE1 4.13Å; I237-F239 HydrophobicContact CD1-CE2 4.34Å; I237-F239 HydrophobicContact CD1-CZ 3.69Å; I237-F239 HydrophobicContact CG1-CE1 4.45Å; I237-F239 HydrophobicContact CG1-CE2 4.18Å; I237-F239 HydrophobicContact CG1-CZ 3.98Å; I237-F239 HydrophobicContact CG2-CE2 3.88Å; I237-F239 HydrophobicContact CG2-CZ 4.21Å; F239-E257 CarbonylContact O-C 3.58Å; F239-E257 WeakPolarHBondContact O-CA 3.2Å; F239-E257 WeakPolarHBondContact O-CB 3.32Å; F239-T258 HydrophobicContact CB-CG2 4.07Å; F239-T258 HydrophobicContact CD2-CG2 4.07Å; F239-T258 PolarHBondContact N-O 3.07Å; F239-T258 PolarHBondContact O-N 3.07Å; F239-T260 HydrophobicContact CE2-CG2 4.1Å; F239-L265 HydrophobicContact CZ-CD1 4.29Å; F239-L273 HydrophobicContact CD2-CD1 4.07Å; F239-L273 HydrophobicContact CE2-CD1 3.97Å; F239-I296 HydrophobicContact CB-CD1 3.64Å; F239-V298 HydrophobicContact CE1-CG1 4.43Å; F239-V298 HydrophobicContact CE1-CG2 4.31Å; F239-V298 HydrophobicContact CE2-CG2 4.11Å; F239-V298 HydrophobicContact CZ-CG1 4.03Å; F239-V298 HydrophobicContact CZ-CG2 3.98Å |
| 240 | S | 92.7 | Very high | 82.9 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.5 | 179.2 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | F192 R238 F242 E257 | F192-S240 PolarHBondContact N-O 3.33Å; F192-S240 PolarHBondContact O-N 3.18Å; R238-S240 WeakPolarHBondContact CD-OG 3.38Å; S240-F242 WeakPolarHBondContact O-CD2 3.43Å; S240-E257 PolarHBondContact OG-OE2 2.78Å |
| 241 | L | 92.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.9 | -179.1 | -177.8 | 68.4 | 0 | 0 | 0 | 110.3 | I177 T189 L191 I255 G256 L275 | I177-L241 HydrophobicContact CD1-CD2 3.56Å; I177-L241 HydrophobicContact CG1-CD2 3.96Å; I177-L241 HydrophobicContact CG2-CD2 4.03Å; T189-L241 HydrophobicContact CG2-CD1 4.38Å; L191-L241 HydrophobicContact CD2-CB 3.73Å; L191-L241 HydrophobicContact CD2-CD1 3.61Å; L191-L241 HydrophobicContact CD2-CG 4.26Å; L191-L241 HydrophobicContact CG-CD1 3.76Å; L241-I255 HydrophobicContact CB-CB 4.49Å; L241-I255 HydrophobicContact CD2-CB 4.17Å; L241-I255 HydrophobicContact CD2-CD1 4.02Å; L241-I255 HydrophobicContact CD2-CG2 4.12Å; L241-I255 HydrophobicContact CG-CB 4.21Å; L241-I255 HydrophobicContact CG-CD1 4.07Å; L241-I255 PolarHBondContact O-N 3Å; L241-G256 PolarHBondContact N-O 3.23Å; L241-G256 PolarHBondContact O-N 3.49Å; L241-L275 HydrophobicContact CB-CD1 4.35Å; L241-L275 HydrophobicContact CB-CD2 4.34Å; L241-L275 HydrophobicContact CD2-CD1 3.57Å |
| 242 | F | 88.7 | Confident | 82.5 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.7 | 179.7 | -67.5 | -96.4 | 0 | 0 | 0 | 111.8 | V152 T189 C190 F192 S240 I244 A253 L254 | V152-F242 HydrophobicContact CB-CE1 3.95Å; V152-F242 HydrophobicContact CB-CZ 4.36Å; V152-F242 HydrophobicContact CG1-CE1 3.85Å; V152-F242 HydrophobicContact CG1-CZ 3.78Å; V152-F242 HydrophobicContact CG2-CE1 4.2Å; T189-F242 WeakPolarHBondContact CA-O 3.46Å; C190-F242 PolarHBondContact N-O 3.02Å; C190-F242 PolarHBondContact O-N 2.82Å; F192-F242 HydrophobicContact CB-CE2 4.24Å; F192-F242 AromaticContact CD2-CD2 3.45Å; F192-F242 HydrophobicContact CD2-CD2 3.45Å; F192-F242 VanDerWaalsContact CD2-CD2 3.45Å; F192-F242 AromaticContact CD2-CE2 3.66Å; F192-F242 HydrophobicContact CD2-CE2 3.66Å; F192-F242 HydrophobicContact CD2-CG 4.37Å; F192-F242 HydrophobicContact CE2-CD2 4.03Å; F192-F242 HydrophobicContact CE2-CE2 4.44Å; F192-F242 HydrophobicContact CG-CD2 4.42Å; F192-F242 HydrophobicContact CG-CE2 4.24Å; S240-F242 WeakPolarHBondContact O-CD2 3.43Å; F242-I244 HydrophobicContact CB-CD1 4.18Å; F242-A253 CarbonylContact C-O 3.57Å; F242-A253 VanDerWaalsContact CA-O 3.3Å; F242-A253 WeakPolarHBondContact CA-O 3.29Å; F242-L254 HydrophobicContact CD1-CB 4.31Å; F242-L254 HydrophobicContact CD1-CD1 4.4Å; F242-L254 HydrophobicContact CD2-CD1 4.47Å; F242-L254 HydrophobicContact CE1-CB 4.05Å; F242-L254 HydrophobicContact CE1-CD1 3.96Å; F242-L254 HydrophobicContact CE2-CD1 4.09Å; F242-L254 HydrophobicContact CZ-CD1 3.8Å |
| 243 | D | 87.5 | Confident | 82.4 | Confident | 11 Ų | 11 | 49 Ų | 49 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.6 | 162.1 | -172.7 | 8.5 | 0 | 0 | 0 | 109.3 | P187 N188 K245 S252 A253 I255 | P187-D243 WeakPolarHBondContact CA-OD1 3.47Å; P187-D243 HydrophobicContact CB-CB 4.07Å; P187-D243 VanDerWaalsContact CB-CG 3.46Å; P187-D243 WeakPolarHBondContact CB-OD1 3.23Å; N188-D243 PolarHBondContact N-OD1 3.25Å; N188-D243 CarbonylContact O-C 3.53Å; N188-D243 WeakPolarHBondContact O-CA 3.12Å; D243-K245 PolarHBondContact O-N 3.37Å; D243-K245 WeakPolarHBondContact OD2-CD 3.33Å; D243-K245 WeakPolarHBondContact OD2-CE 3.46Å; D243-K245 IonicContact OD2-NZ 2.82Å; D243-K245 PolarHBondContact OD2-NZ 3.28Å; D243-S252 CarbonylContact O-C 3.58Å; D243-S252 WeakPolarHBondContact O-CA 3.19Å; D243-A253 PolarHBondContact N-O 2.97Å; D243-A253 PolarHBondContact O-N 3.4Å; D243-I255 HydrophobicContact CB-CD1 3.83Å; D243-I255 HydrophobicContact CB-CG1 3.8Å |
| 244 | I | 83.9 | Confident | 82.4 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 92.2 | 178.1 | -49.7 | -56.5 | 0 | 0 | 0 | 109.1 | N188 C190 I211 F242 V247 | N188-I244 HydrophobicContact CB-CB 4.2Å; N188-I244 WeakPolarHBondContact CB-O 3.4Å; N188-I244 PolarHBondContact ND2-O 3.43Å; N188-I244 PolarHBondContact O-N 2.81Å; C190-I244 HydrophobicContact CB-CD1 4.15Å; C190-I244 HydrophobicContact CB-CG1 4.05Å; I211-I244 HydrophobicContact CD1-CG1 4.11Å; I211-I244 HydrophobicContact CD1-CG2 4.31Å; I211-I244 HydrophobicContact CG1-CG1 4.19Å; I211-I244 HydrophobicContact CG2-CG1 4.3Å; F242-I244 HydrophobicContact CB-CD1 4.18Å; I244-V247 HydrophobicContact CG2-CB 4.24Å; I244-V247 HydrophobicContact CG2-CG2 3.77Å |
| 245 | K | 80.7 | Confident | 82.3 | Confident | 102 Ų | 102 | 43 Ų | 43 | 44% | 0.443 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -37 | 178.4 | -61.4 | -60.4 | -166.3 | -173 | 0 | 112.5 | D243 V251 | D243-K245 PolarHBondContact O-N 3.37Å; D243-K245 WeakPolarHBondContact OD2-CD 3.33Å; D243-K245 WeakPolarHBondContact OD2-CE 3.46Å; D243-K245 IonicContact OD2-NZ 2.82Å; D243-K245 PolarHBondContact OD2-NZ 3.28Å; K245-V251 HydrophobicContact CB-CG1 4.31Å; K245-V251 PolarHBondContact N-O 3.26Å; K245-V251 VanDerWaalsContact N-O 3.1Å |
| 246 | D | 72.4 | Confident | 82.2 | Confident | 65 Ų | 65 | 42.4 Ų | 42.4 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 105.8 | 172 | 179.8 | 11.4 | 0 | 0 | 0 | 112.1 | K248 S249 N250 V251 | D246-K248 PolarHBondContact O-N 2.91Å; D246-K248 WeakPolarHBondContact OD1-CB 3.45Å; D246-K248 PolarHBondContact OD1-N 3.16Å; D246-S249 VanDerWaalsContact CB-OG 3.31Å; D246-S249 WeakPolarHBondContact CB-OG 3.48Å; D246-S249 PolarHBondContact O-N 3.39Å; D246-S249 VanDerWaalsContact OD2-CB 3.3Å; D246-S249 WeakPolarHBondContact OD2-CB 3.48Å; D246-S249 PolarHBondContact OD2-N 3.08Å; D246-S249 PolarHBondContact OD2-OG 3.21Å; D246-N250 WeakPolarHBondContact O-CA 3.45Å; D246-N250 PolarHBondContact O-N 3.42Å; D246-V251 HydrophobicContact CB-CB 4.33Å; D246-V251 PolarHBondContact N-O 2.67Å; D246-V251 VanDerWaalsContact N-O 3.13Å; D246-V251 PolarHBondContact O-N 2.91Å |
| 247 | V | 70.7 | Confident | 82.2 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.4 | 178.3 | -164 | 0 | 0 | 0 | 0 | 112.4 | I211 I244 N250 K1020 | I211-V247 HydrophobicContact CD1-CG1 3.79Å; I211-V247 HydrophobicContact CD1-CG2 4.42Å; I244-V247 HydrophobicContact CG2-CB 4.24Å; I244-V247 HydrophobicContact CG2-CG2 3.77Å; V247-N250 PolarHBondContact O-OD1 3.44Å; V247-K1020 PolarHBondContact O-NZ 3.48Å |
| 248 | K | 65 | Low | 82.2 | Confident | 136 Ų | 136 | 42.7 Ų | 42.7 | 59% | 0.591 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -43.2 | -178.8 | -66.1 | 177.2 | -178.2 | 164.4 | 0 | 112.3 | D246 | D246-K248 PolarHBondContact O-N 2.91Å; D246-K248 WeakPolarHBondContact OD1-CB 3.45Å; D246-K248 PolarHBondContact OD1-N 3.16Å |
| 249 | S | 65.1 | Low | 82.1 | Confident | 67 Ų | 67 | 43.8 Ų | 43.8 | 47% | 0.469 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.1 | 179.1 | 59 | 0 | 0 | 0 | 0 | 113.5 | D246 V251 | D246-S249 VanDerWaalsContact CB-OG 3.31Å; D246-S249 WeakPolarHBondContact CB-OG 3.48Å; D246-S249 PolarHBondContact O-N 3.39Å; D246-S249 VanDerWaalsContact OD2-CB 3.3Å; D246-S249 WeakPolarHBondContact OD2-CB 3.48Å; D246-S249 PolarHBondContact OD2-N 3.08Å; D246-S249 PolarHBondContact OD2-OG 3.21Å; S249-V251 PolarHBondContact O-N 2.9Å; S249-V251 VanDerWaalsContact OG-CG2 3.23Å; S249-V251 WeakPolarHBondContact OG-CG2 3.45Å |
| 250 | N | 65.8 | Low | 82 | Confident | 84 Ų | 84 | 44.6 Ų | 44.6 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 29.5 | -173 | -67.4 | -13.3 | 0 | 0 | 0 | 112.6 | D246 V247 S252 | D246-N250 WeakPolarHBondContact O-CA 3.45Å; D246-N250 PolarHBondContact O-N 3.42Å; V247-N250 PolarHBondContact O-OD1 3.44Å; N250-S252 PolarHBondContact O-N 3.47Å |
| 251 | V | 73.7 | Confident | 81.9 | Confident | 78 Ų | 78 | 46.6 Ų | 46.6 | 47% | 0.473 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 120.2 | 173 | 175.1 | 0 | 0 | 0 | 0 | 107.8 | K245 D246 S249 | K245-V251 HydrophobicContact CB-CG1 4.31Å; K245-V251 PolarHBondContact N-O 3.26Å; K245-V251 VanDerWaalsContact N-O 3.1Å; D246-V251 HydrophobicContact CB-CB 4.33Å; D246-V251 PolarHBondContact N-O 2.67Å; D246-V251 VanDerWaalsContact N-O 3.13Å; D246-V251 PolarHBondContact O-N 2.91Å; S249-V251 PolarHBondContact O-N 2.9Å; S249-V251 VanDerWaalsContact OG-CG2 3.23Å; S249-V251 WeakPolarHBondContact OG-CG2 3.45Å |
| 252 | S | 80.5 | Confident | 81.7 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.7 | 177.8 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | D243 N250 | D243-S252 CarbonylContact O-C 3.58Å; D243-S252 WeakPolarHBondContact O-CA 3.19Å; N250-S252 PolarHBondContact O-N 3.47Å |
| 253 | A | 82.3 | Confident | 81.7 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.6 | 172 | 0 | 0 | 0 | 0 | 0 | 108.5 | F242 D243 I255 | F242-A253 CarbonylContact C-O 3.57Å; F242-A253 VanDerWaalsContact CA-O 3.3Å; F242-A253 WeakPolarHBondContact CA-O 3.29Å; D243-A253 PolarHBondContact N-O 2.97Å; D243-A253 PolarHBondContact O-N 3.4Å; A253-I255 PolarHBondContact O-N 2.81Å |
| 254 | L | 84.2 | Confident | 81.9 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 122.5 | 172.1 | -178.8 | 69.9 | 0 | 0 | 0 | 108.2 | F242 | F242-L254 HydrophobicContact CD1-CB 4.31Å; F242-L254 HydrophobicContact CD1-CD1 4.4Å; F242-L254 HydrophobicContact CD2-CD1 4.47Å; F242-L254 HydrophobicContact CE1-CB 4.05Å; F242-L254 HydrophobicContact CE1-CD1 3.96Å; F242-L254 HydrophobicContact CE2-CD1 4.09Å; F242-L254 HydrophobicContact CZ-CD1 3.8Å |
| 255 | I | 83.6 | Confident | 82.1 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -40.5 | 172.2 | -60.9 | -178.9 | 0 | 0 | 0 | 109.5 | I177 P187 T189 L241 D243 A253 | I177-I255 HydrophobicContact CG2-CD1 3.76Å; I177-I255 HydrophobicContact CG2-CG2 4.32Å; P187-I255 HydrophobicContact CB-CD1 4Å; P187-I255 HydrophobicContact CG-CD1 4.23Å; T189-I255 HydrophobicContact CG2-CD1 4.27Å; L241-I255 HydrophobicContact CB-CB 4.49Å; L241-I255 HydrophobicContact CD2-CB 4.17Å; L241-I255 HydrophobicContact CD2-CD1 4.02Å; L241-I255 HydrophobicContact CD2-CG2 4.12Å; L241-I255 HydrophobicContact CG-CB 4.21Å; L241-I255 HydrophobicContact CG-CD1 4.07Å; L241-I255 PolarHBondContact O-N 3Å; D243-I255 HydrophobicContact CB-CD1 3.83Å; D243-I255 HydrophobicContact CB-CG1 3.8Å; A253-I255 PolarHBondContact O-N 2.81Å |
| 256 | G | 86.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | 171 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | L241 R276 | L241-G256 PolarHBondContact N-O 3.23Å; L241-G256 PolarHBondContact O-N 3.49Å; G256-R276 WeakPolarHBondContact CA-O 3.41Å |
| 257 | E | 90.5 | Very high | 83.2 | Confident | 31 Ų | 31 | 51 Ų | 51 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 162.4 | 175.5 | 59.7 | 174 | -131.5 | 0 | 0 | 112 | R238 F239 S240 R276 | R238-E257 IonicContact CZ-OE1 3.92Å; R238-E257 IonicContact CZ-OE2 2.79Å; R238-E257 IonicContact NE-OE1 3.18Å; R238-E257 PolarHBondContact NE-OE1 3.35Å; R238-E257 IonicContact NE-OE2 3.92Å; R238-E257 PolarHBondContact NE-OE2 3.1Å; R238-E257 IonicContact NH2-OE1 3.52Å; R238-E257 PolarHBondContact NH2-OE1 2.77Å; R238-E257 IonicContact NH2-OE2 3.74Å; F239-E257 CarbonylContact O-C 3.58Å; F239-E257 WeakPolarHBondContact O-CA 3.2Å; F239-E257 WeakPolarHBondContact O-CB 3.32Å; S240-E257 PolarHBondContact OG-OE2 2.78Å; E257-R276 PolarHBondContact N-O 2.86Å; E257-R276 PolarHBondContact O-N 2.81Å |
| 258 | T | 91.9 | Very high | 83.9 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 146.5 | 173.8 | -163 | 0 | 0 | 0 | 0 | 109.4 | R238 F239 L273 P274 I296 | R238-T258 WeakPolarHBondContact CA-O 3.39Å; F239-T258 HydrophobicContact CB-CG2 4.07Å; F239-T258 HydrophobicContact CD2-CG2 4.07Å; F239-T258 PolarHBondContact N-O 3.07Å; F239-T258 PolarHBondContact O-N 3.07Å; T258-L273 HydrophobicContact CG2-CB 3.72Å; T258-L273 HydrophobicContact CG2-CD1 3.93Å; T258-L273 HydrophobicContact CG2-CG 4.48Å; T258-P274 WeakPolarHBondContact CB-O 3.48Å; T258-P274 PolarHBondContact OG1-O 3.39Å; T258-P274 VanDerWaalsContact OG1-O 3.04Å; T258-I296 HydrophobicContact CG2-CD1 4.08Å |
| 259 | I | 91.6 | Very high | 84.9 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 42% | 0.415 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.5 | -178 | -61.6 | 168.7 | 0 | 0 | 0 | 107.6 | W203 I237 R238 | W203-I259 HydrophobicContact CH2-CD1 4.04Å; W203-I259 HydrophobicContact CH2-CG1 4.11Å; W203-I259 HydrophobicContact CH2-CG2 3.86Å; W203-I259 HydrophobicContact CZ2-CD1 3.79Å; W203-I259 HydrophobicContact CZ2-CG1 4.36Å; I237-I259 VanDerWaalsContact O-CA 3.31Å; I237-I259 WeakPolarHBondContact O-CA 3.05Å; R238-I259 HydrophobicContact CB-CG1 3.98Å; R238-I259 HydrophobicContact CG-CG1 4.02Å |
| 260 | T | 91.3 | Very high | 86.1 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 10% | 0.104 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 166.8 | 171.9 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | S236 I237 F239 L265 L273 | S236-T260 WeakPolarHBondContact CA-O 3.48Å; I237-T260 HydrophobicContact CG2-CG2 3.48Å; I237-T260 VanDerWaalsContact CG2-CG2 3.48Å; I237-T260 WeakPolarHBondContact CG2-O 3.35Å; I237-T260 PolarHBondContact N-O 3.28Å; I237-T260 PolarHBondContact O-N 3.06Å; F239-T260 HydrophobicContact CE2-CG2 4.1Å; T260-L265 HydrophobicContact CG2-CD1 4.14Å; T260-L265 HydrophobicContact CG2-CG 4.18Å; T260-L273 HydrophobicContact CG2-CD1 3.96Å |
| 261 | T | 90.6 | Very high | 87.3 | Confident | 55 Ų | 55 | 46.3 Ų | 46.3 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 148.6 | 172 | 57.9 | 0 | 0 | 0 | 0 | 110 | K263 V264 | T261-K263 PolarHBondContact O-N 3.29Å; T261-V264 PolarHBondContact O-N 3.5Å; T261-V264 VanDerWaalsContact O-N 3.15Å; T261-V264 WeakPolarHBondContact OG1-CG2 3.17Å |
| 262 | L | 89.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -30.1 | 175.5 | -75.1 | -173.4 | 0 | 0 | 0 | 111.9 | L226 L230 D232 N235 I237 V264 L265 L266 | L226-L262 HydrophobicContact CD1-CD2 3.77Å; L230-L262 WeakPolarHBondContact O-CD1 3.36Å; D232-L262 WeakPolarHBondContact O-CB 3.47Å; N235-L262 HydrophobicContact CB-CD1 3.76Å; N235-L262 HydrophobicContact CB-CG 4.2Å; N235-L262 PolarHBondContact O-N 3.44Å; I237-L262 HydrophobicContact CB-CD2 4.07Å; I237-L262 HydrophobicContact CD1-CD2 4.16Å; I237-L262 HydrophobicContact CG2-CD2 4.1Å; L262-V264 VanDerWaalsContact C-N 3.3Å; L262-V264 PolarHBondContact O-N 2.96Å; L262-L265 HydrophobicContact CD2-CD1 3.98Å; L262-L265 WeakPolarHBondContact O-CB 3.46Å; L262-L265 PolarHBondContact O-N 3.46Å; L262-L265 VanDerWaalsContact O-N 3.08Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 2.81Å |
| 263 | K | 89.6 | Confident | 88.7 | Confident | 98 Ų | 98 | 47 Ų | 47 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -48.4 | -50.2 | 170.3 | -178.2 | 169 | -177 | 156.8 | 0 | 112.8 | E233 T261 L265 L266 D267 | E233-K263 HydrophobicContact CB-CB 4.05Å; E233-K263 HydrophobicContact CG-CB 4.33Å; E233-K263 IonicContact OE2-NZ 3.77Å; T261-K263 PolarHBondContact O-N 3.29Å; K263-L265 VanDerWaalsContact C-N 3.28Å; K263-L265 PolarHBondContact O-N 3.38Å; K263-L266 PolarHBondContact O-N 3.15Å; K263-L266 VanDerWaalsContact O-N 3.1Å; K263-D267 WeakPolarHBondContact O-CB 3.28Å; K263-D267 VanDerWaalsContact O-CG 3.26Å; K263-D267 PolarHBondContact O-N 3.26Å |
| 264 | V | 89.9 | Confident | 89.1 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | -178.5 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | T261 L262 S268 L271 | T261-V264 PolarHBondContact O-N 3.5Å; T261-V264 VanDerWaalsContact O-N 3.15Å; T261-V264 WeakPolarHBondContact OG1-CG2 3.17Å; L262-V264 VanDerWaalsContact C-N 3.3Å; L262-V264 PolarHBondContact O-N 2.96Å; V264-S268 WeakPolarHBondContact O-CB 3.16Å; V264-S268 PolarHBondContact O-N 3.09Å; V264-S268 PolarHBondContact O-OG 3.38Å; V264-L271 HydrophobicContact CG1-CD1 3.69Å; V264-L271 HydrophobicContact CG1-CD2 3.79Å; V264-L271 HydrophobicContact CG1-CG 4.41Å |
| 265 | L | 88.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.8 | -29.6 | 174.8 | -77.2 | 168.8 | 0 | 0 | 0 | 113.7 | L168 I170 I237 F239 T260 L262 K263 L271 V298 S300 | L168-L265 HydrophobicContact CD2-CB 4.21Å; I170-L265 HydrophobicContact CD1-CD1 4.47Å; I237-L265 HydrophobicContact CD1-CD1 4.1Å; I237-L265 HydrophobicContact CG2-CD1 3.58Å; F239-L265 HydrophobicContact CZ-CD1 4.29Å; T260-L265 HydrophobicContact CG2-CD1 4.14Å; T260-L265 HydrophobicContact CG2-CG 4.18Å; L262-L265 HydrophobicContact CD2-CD1 3.98Å; L262-L265 WeakPolarHBondContact O-CB 3.46Å; L262-L265 PolarHBondContact O-N 3.46Å; L262-L265 VanDerWaalsContact O-N 3.08Å; K263-L265 VanDerWaalsContact C-N 3.28Å; K263-L265 PolarHBondContact O-N 3.38Å; L265-L271 HydrophobicContact CD2-CD1 3.5Å; L265-L271 VanDerWaalsContact CD2-CD1 3.5Å; L265-L271 HydrophobicContact CG-CD1 3.92Å; L265-V298 HydrophobicContact CD2-CB 4.14Å; L265-V298 HydrophobicContact CD2-CG1 3.48Å; L265-V298 VanDerWaalsContact CD2-CG1 3.48Å; L265-S300 WeakPolarHBondContact O-CB 3.31Å; L265-S300 PolarHBondContact O-OG 3.49Å |
| 266 | L | 87.8 | Confident | 88.8 | Confident | 37 Ų | 37 | 52 Ų | 52 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.7 | -31.6 | 177 | -69.6 | 168.6 | 0 | 0 | 0 | 111.9 | L168 I231 E233 L262 K263 | L168-L266 HydrophobicContact CD1-CD2 4.23Å; L168-L266 HydrophobicContact CD2-CD2 4.38Å; I231-L266 HydrophobicContact CG2-CD1 3.93Å; I231-L266 HydrophobicContact CG2-CD2 4.03Å; I231-L266 HydrophobicContact CG2-CG 4.49Å; E233-L266 HydrophobicContact CG-CD1 4.2Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 2.81Å; K263-L266 PolarHBondContact O-N 3.15Å; K263-L266 VanDerWaalsContact O-N 3.1Å |
| 267 | D | 88 | Confident | 87.6 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -81.8 | -24.6 | 179.8 | -68.5 | -20.3 | 0 | 0 | 0 | 113.1 | K263 | K263-D267 WeakPolarHBondContact O-CB 3.28Å; K263-D267 VanDerWaalsContact O-CG 3.26Å; K263-D267 PolarHBondContact O-N 3.26Å |
| 268 | S | 86.1 | Confident | 85.8 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | trans | -123.3 | 128.8 | -174.5 | -57 | 0 | 0 | 0 | 0 | 111.7 | V264 S270 S300 | V264-S268 WeakPolarHBondContact O-CB 3.16Å; V264-S268 PolarHBondContact O-N 3.09Å; V264-S268 PolarHBondContact O-OG 3.38Å; S268-S270 VanDerWaalsContact C-N 3.33Å; S268-S300 PolarHBondContact O-OG 3.03Å | ||
| 269 | S | 85.3 | Confident | 83.6 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -73.5 | -23.9 | 175.9 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | H299 S300 | S269-H299 CarbonylContact O-C 3.52Å; S269-H299 VanDerWaalsContact O-CA 3.24Å; S269-H299 WeakPolarHBondContact O-CA 3.35Å; S269-S300 PolarHBondContact O-N 2.98Å |
| 270 | S | 90.7 | Very high | 81.1 | Confident | 59 Ų | 59 | 63.3 Ų | 63.3 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 129.4 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | S268 V298 | S268-S270 VanDerWaalsContact C-N 3.33Å; S270-V298 CarbonylContact C-O 3.59Å; S270-V298 WeakPolarHBondContact CA-O 3.45Å |
| 271 | L | 91.9 | Very high | 78.4 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.4 | 179.4 | -66.5 | 175.4 | 0 | 0 | 0 | 110.5 | V264 L265 L273 I297 V298 | V264-L271 HydrophobicContact CG1-CD1 3.69Å; V264-L271 HydrophobicContact CG1-CD2 3.79Å; V264-L271 HydrophobicContact CG1-CG 4.41Å; L265-L271 HydrophobicContact CD2-CD1 3.5Å; L265-L271 VanDerWaalsContact CD2-CD1 3.5Å; L265-L271 HydrophobicContact CG-CD1 3.92Å; L271-L273 HydrophobicContact CB-CD2 4.41Å; L271-L273 HydrophobicContact CB-CG 4.37Å; L271-I297 CarbonylContact O-C 3.53Å; L271-I297 VanDerWaalsContact O-CA 3.29Å; L271-I297 WeakPolarHBondContact O-CA 3.5Å; L271-V298 HydrophobicContact CB-CB 4.45Å; L271-V298 PolarHBondContact N-O 3.25Å; L271-V298 PolarHBondContact O-N 3.24Å |
| 272 | L | 92.6 | Very high | 75.7 | Confident | 106 Ų | 106 | 76.1 Ų | 76.1 | 56% | 0.555 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 110 | 168.5 | -176.9 | 72.2 | 0 | 0 | 0 | 108.4 | L175 I297 | L175-L272 HydrophobicContact CD1-CD1 3.99Å; L272-I297 HydrophobicContact CD1-CG1 3.76Å |
| 273 | L | 90.9 | Very high | 73 | Confident | 21 Ų | 21 | 81.4 Ų | 81.4 | 11% | 0.11 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.2 | -177.6 | -59.1 | 178.6 | 0 | 0 | 0 | 109.9 | F239 T258 T260 L271 S295 I296 V298 | F239-L273 HydrophobicContact CD2-CD1 4.07Å; F239-L273 HydrophobicContact CE2-CD1 3.97Å; T258-L273 HydrophobicContact CG2-CB 3.72Å; T258-L273 HydrophobicContact CG2-CD1 3.93Å; T258-L273 HydrophobicContact CG2-CG 4.48Å; T260-L273 HydrophobicContact CG2-CD1 3.96Å; L271-L273 HydrophobicContact CB-CD2 4.41Å; L271-L273 HydrophobicContact CB-CG 4.37Å; L273-S295 CarbonylContact O-C 3.55Å; L273-S295 VanDerWaalsContact O-CA 3.3Å; L273-S295 WeakPolarHBondContact O-CA 3.47Å; L273-I296 PolarHBondContact N-O 2.89Å; L273-I296 PolarHBondContact O-N 3.11Å; L273-V298 HydrophobicContact CD1-CG2 3.87Å; L273-V298 HydrophobicContact CG-CG2 4.48Å |
| 274 | P | 89.9 | Confident | 70.7 | Confident | 57 Ų | 57 | 79.9 Ų | 79.9 | 37% | 0.37 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 140.3 | 174.9 | 28.5 | -33.1 | 0 | 0 | 0 | 110.5 | T258 I293 | T258-P274 WeakPolarHBondContact CB-O 3.48Å; T258-P274 PolarHBondContact OG1-O 3.39Å; T258-P274 VanDerWaalsContact OG1-O 3.04Å; P274-I293 HydrophobicContact CB-CG2 3.8Å |
| 275 | L | 84.2 | Confident | 68 | Low | 14 Ų | 14 | 84.5 Ų | 84.5 | 7% | 0.073 | 46% | 0.456 | C | S | . | . | trans | -80 | 135.7 | 173.3 | -74 | 167.9 | 0 | 0 | 0 | 110.2 | I177 L241 P294 I296 | I177-L275 HydrophobicContact CD1-CD1 3.7Å; L241-L275 HydrophobicContact CB-CD1 4.35Å; L241-L275 HydrophobicContact CB-CD2 4.34Å; L241-L275 HydrophobicContact CD2-CD1 3.57Å; L275-P294 HydrophobicContact CB-CG 4.41Å; L275-P294 WeakPolarHBondContact CB-O 3.35Å; L275-P294 HydrophobicContact CD1-CB 4.22Å; L275-P294 PolarHBondContact N-O 2.93Å; L275-I296 HydrophobicContact CD1-CG1 4.21Å; L275-I296 HydrophobicContact CD2-CD1 3.57Å; L275-I296 HydrophobicContact CD2-CG1 3.9Å; L275-I296 HydrophobicContact CG-CD1 4.29Å; L275-I296 HydrophobicContact CG-CG1 4.05Å | ||
| 276 | R | 77.9 | Confident | 65.6 | Low | 180 Ų | 180 | 90.2 Ų | 90.2 | 68% | 0.679 | 48% | 0.479 | S | S | * | . | B | Isolated β-bridge | trans | -109.4 | 137.8 | 172.4 | -62.1 | -176.7 | -179.7 | -173.8 | 0.6 | 109.3 | G256 E257 | G256-R276 WeakPolarHBondContact CA-O 3.41Å; E257-R276 PolarHBondContact N-O 2.86Å; E257-R276 PolarHBondContact O-N 2.81Å |
| 277 | D | 62 | Low | 62.9 | Low | 74 Ų | 74 | 95.5 Ų | 95.5 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | trans | -103.4 | 103.2 | 170.8 | -177.1 | 6.1 | 0 | 0 | 0 | 108.8 | C279 S280 | D277-C279 VanDerWaalsContact C-N 3.3Å; D277-C279 WeakPolarHBondContact OD1-CA 3.48Å; D277-C279 WeakPolarHBondContact OD1-CB 3.48Å; D277-C279 PolarHBondContact OD1-N 3.4Å; D277-S280 PolarHBondContact OD1-N 2.87Å | ||
| 278 | D | 51.6 | Low | 60.6 | Low | 138 Ų | 138 | 93.7 Ų | 93.7 | 74% | 0.738 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -81.9 | -8.5 | 173.9 | -83.4 | -17.5 | 0 | 0 | 0 | 112.3 | ||
| 279 | C | 44.9 | Very low | 58.5 | Low | 108 Ų | 108 | 98.7 Ų | 98.7 | 73% | 0.73 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -89.8 | -20.6 | -174.8 | -89.8 | 0 | 0 | 0 | 0 | 114 | D277 K281 | D277-C279 VanDerWaalsContact C-N 3.3Å; D277-C279 WeakPolarHBondContact OD1-CA 3.48Å; D277-C279 WeakPolarHBondContact OD1-CB 3.48Å; D277-C279 PolarHBondContact OD1-N 3.4Å; C279-K281 PolarHBondContact O-N 3.44Å |
| 280 | S | 40.2 | Very low | 56.4 | Low | 44 Ų | 44 | 103.9 Ų | 103.9 | 31% | 0.308 | 55% | 0.547 | S | S | . | . | trans | -80.9 | 100.6 | 172.3 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | D277 I282 | D277-S280 PolarHBondContact OD1-N 2.87Å; S280-I282 PolarHBondContact O-N 2.82Å; S280-I282 PolarHBondContact OG-O 2.82Å | ||
| 281 | K | 35 | Very low | 54.5 | Low | 212 Ų | 212 | 103.9 Ų | 103.9 | 92% | 0.922 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -64.4 | 5.6 | 162.3 | -75 | -171.7 | 178.5 | -177.8 | 0 | 113.5 | C279 | C279-K281 PolarHBondContact O-N 3.44Š|
| 282 | I | 34.2 | Very low | 53.2 | Low | 129 Ų | 129 | 106.9 Ų | 106.9 | 66% | 0.662 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -104.2 | 114.3 | 171.6 | -56.2 | 171.5 | 0 | 0 | 0 | 105.5 | S280 V284 | S280-I282 PolarHBondContact O-N 2.82Å; S280-I282 PolarHBondContact OG-O 2.82Å; I282-V284 PolarHBondContact O-N 3.3Å |
| 283 | P | 32.4 | Very low | 52.4 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 72% | 0.721 | 56% | 0.559 | S | S | * | * | trans | -60.8 | 107 | 171 | 23.9 | -29.3 | 0 | 0 | 0 | 107.5 | K285 | P283-K285 VanDerWaalsContact C-N 3.33Å; P283-K285 PolarHBondContact O-N 2.92Å | ||
| 284 | V | 39.6 | Very low | 52.1 | Low | 67 Ų | 67 | 106.5 Ų | 106.5 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | trans | -66.2 | 98 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | I282 Y286 | I282-V284 PolarHBondContact O-N 3.3Å; V284-Y286 WeakPolarHBondContact O-CD2 3.41Å; V284-Y286 PolarHBondContact O-N 3.43Å | ||
| 285 | K | 33.5 | Very low | 52.1 | Low | 147 Ų | 147 | 104.4 Ų | 104.4 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | trans | -69 | 110.6 | 169.9 | -81.4 | -178.3 | 155.9 | -135.9 | 0 | 108.2 | P283 E287 | P283-K285 VanDerWaalsContact C-N 3.33Å; P283-K285 PolarHBondContact O-N 2.92Å; K285-E287 HydrophobicContact CB-CG 4.4Å; K285-E287 IonicContact NZ-OE1 2.72Å; K285-E287 PolarHBondContact NZ-OE1 3.22Å; K285-E287 IonicContact NZ-OE2 3.41Å; K285-E287 PolarHBondContact O-N 3.12Å | ||
| 286 | Y | 39.8 | Very low | 52.5 | Low | 121 Ų | 121 | 103.7 Ų | 103.7 | 48% | 0.475 | 55% | 0.546 | S | S | . | . | trans | -74.8 | 66.9 | 166.4 | -63 | -87.4 | 0 | 0 | 0 | 109.6 | V284 | V284-Y286 WeakPolarHBondContact O-CD2 3.41Å; V284-Y286 PolarHBondContact O-N 3.43Å | ||
| 287 | E | 30.9 | Very low | 53.3 | Low | 147 Ų | 147 | 96.6 Ų | 96.6 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | trans | -109.7 | 109.8 | 174.3 | -76.3 | 174.2 | -168.2 | 0 | 0 | 108.3 | K285 | K285-E287 HydrophobicContact CB-CG 4.4Å; K285-E287 IonicContact NZ-OE1 2.72Å; K285-E287 PolarHBondContact NZ-OE1 3.22Å; K285-E287 IonicContact NZ-OE2 3.41Å; K285-E287 PolarHBondContact O-N 3.12Å | ||
| 288 | G | 40.1 | Very low | 54.9 | Low | 74 Ų | 74 | 93 Ų | 93 | 76% | 0.763 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 132.6 | -12.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 289 | L | 40.4 | Very low | 56.9 | Low | 146 Ų | 146 | 89.1 Ų | 89.1 | 76% | 0.764 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -134.1 | 148.6 | 165.4 | -101.1 | 89.5 | 0 | 0 | 0 | 107.7 | T291 | L289-T291 HydrophobicContact CB-CG2 3.92Å; L289-T291 WeakPolarHBondContact O-CB 3.25Å; L289-T291 WeakPolarHBondContact O-CG2 3.4Å; L289-T291 PolarHBondContact O-N 3.42Å; L289-T291 PolarHBondContact O-OG1 3.32Å |
| 290 | E | 42.9 | Very low | 59.1 | Low | 204 Ų | 204 | 84.8 Ų | 84.8 | 95% | 0.953 | 45% | 0.45 | S | S | * | . | trans | -56.7 | 77.4 | 172.1 | -67.3 | 179.3 | 164.6 | 0 | 0 | 110.6 | T292 | E290-T292 PolarHBondContact O-N 3.08Š| ||
| 291 | T | 49.9 | Very low | 61.2 | Low | 59 Ų | 59 | 84.5 Ų | 84.5 | 36% | 0.362 | 44% | 0.442 | S | S | . | . | trans | -100 | 89.7 | -165 | 36.6 | 0 | 0 | 0 | 0 | 108.4 | L289 I293 | L289-T291 HydrophobicContact CB-CG2 3.92Å; L289-T291 WeakPolarHBondContact O-CB 3.25Å; L289-T291 WeakPolarHBondContact O-CG2 3.4Å; L289-T291 PolarHBondContact O-N 3.42Å; L289-T291 PolarHBondContact O-OG1 3.32Å; T291-I293 PolarHBondContact O-N 3.38Å | ||
| 292 | T | 64.9 | Low | 63.6 | Low | 86 Ų | 86 | 81 Ų | 81 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 122.8 | 168.2 | 34.2 | 0 | 0 | 0 | 0 | 111.2 | N176 E290 | N176-T292 VanDerWaalsContact CG-OG1 3.23Å; N176-T292 WeakPolarHBondContact ND2-CB 3.31Å; N176-T292 PolarHBondContact ND2-OG1 3.12Å; E290-T292 PolarHBondContact O-N 3.08Å |
| 293 | I | 75.4 | Confident | 65.7 | Low | 90 Ų | 90 | 75 Ų | 75 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 130.9 | 179 | -60.2 | 167.4 | 0 | 0 | 0 | 109.5 | P274 T291 S295 | P274-I293 HydrophobicContact CB-CG2 3.8Å; T291-I293 PolarHBondContact O-N 3.38Å; I293-S295 PolarHBondContact O-N 3.18Å; I293-S295 PolarHBondContact O-OG 3.14Å |
| 294 | P | 84.7 | Confident | 67.6 | Low | 28 Ų | 28 | 75.7 Ų | 75.7 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 127.3 | 175.4 | 25.9 | -34.3 | 0 | 0 | 0 | 109.3 | I177 L275 | I177-P294 HydrophobicContact CD1-CB 3.85Å; L275-P294 HydrophobicContact CB-CG 4.41Å; L275-P294 WeakPolarHBondContact CB-O 3.35Å; L275-P294 HydrophobicContact CD1-CB 4.22Å; L275-P294 PolarHBondContact N-O 2.93Å |
| 295 | S | 90.2 | Very high | 69 | Low | 13 Ų | 13 | 75.3 Ų | 75.3 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.6 | -169.3 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | C174 L175 L273 I293 | C174-S295 CarbonylContact C-O 3.43Å; C174-S295 WeakPolarHBondContact CA-O 3.07Å; L175-S295 PolarHBondContact N-O 3Å; L175-S295 PolarHBondContact O-N 3.27Å; L273-S295 CarbonylContact O-C 3.55Å; L273-S295 VanDerWaalsContact O-CA 3.3Å; L273-S295 WeakPolarHBondContact O-CA 3.47Å; I293-S295 PolarHBondContact O-N 3.18Å; I293-S295 PolarHBondContact O-OG 3.14Å |
| 296 | I | 92.9 | Very high | 70.3 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.8 | 169.8 | -60.8 | 174.9 | 0 | 0 | 0 | 107.9 | L172 K173 L191 F239 T258 L273 L275 V298 | L172-I296 HydrophobicContact CD2-CG2 4.14Å; K173-I296 CarbonylContact O-C 3.52Å; L191-I296 HydrophobicContact CD1-CG2 4.44Å; L191-I296 HydrophobicContact CD2-CD1 3.56Å; L191-I296 HydrophobicContact CD2-CG1 4.33Å; F239-I296 HydrophobicContact CB-CD1 3.64Å; T258-I296 HydrophobicContact CG2-CD1 4.08Å; L273-I296 PolarHBondContact N-O 2.89Å; L273-I296 PolarHBondContact O-N 3.11Å; L275-I296 HydrophobicContact CD1-CG1 4.21Å; L275-I296 HydrophobicContact CD2-CD1 3.57Å; L275-I296 HydrophobicContact CD2-CG1 3.9Å; L275-I296 HydrophobicContact CG-CD1 4.29Å; L275-I296 HydrophobicContact CG-CG1 4.05Å; I296-V298 HydrophobicContact CG2-CG2 3.72Å |
| 297 | I | 94 | Very high | 70.9 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 15% | 0.154 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.1 | 165.9 | -51 | 163.1 | 0 | 0 | 0 | 108.3 | K173 L175 L271 L272 H299 | K173-I297 HydrophobicContact CB-CB 4.32Å; K173-I297 HydrophobicContact CB-CD1 4.46Å; K173-I297 PolarHBondContact N-O 3.5Å; K173-I297 PolarHBondContact O-N 3.4Å; L175-I297 HydrophobicContact CD1-CD1 3.55Å; L175-I297 HydrophobicContact CD1-CG1 3.9Å; L175-I297 HydrophobicContact CD2-CD1 4.19Å; L175-I297 HydrophobicContact CG-CD1 3.63Å; L175-I297 HydrophobicContact CG-CG1 4.1Å; L271-I297 CarbonylContact O-C 3.53Å; L271-I297 VanDerWaalsContact O-CA 3.29Å; L271-I297 WeakPolarHBondContact O-CA 3.5Å; L272-I297 HydrophobicContact CD1-CG1 3.76Å; I297-H299 WeakPolarHBondContact CG2-CE1 3.11Å |
| 298 | V | 95.1 | Very high | 72 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.7 | 177.3 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | I170 L172 F239 L265 S270 L271 L273 I296 | I170-V298 HydrophobicContact CG2-CG1 3.54Å; L172-V298 HydrophobicContact CD2-CB 4.36Å; L172-V298 HydrophobicContact CD2-CG1 4.05Å; L172-V298 HydrophobicContact CD2-CG2 3.89Å; F239-V298 HydrophobicContact CE1-CG1 4.43Å; F239-V298 HydrophobicContact CE1-CG2 4.31Å; F239-V298 HydrophobicContact CE2-CG2 4.11Å; F239-V298 HydrophobicContact CZ-CG1 4.03Å; F239-V298 HydrophobicContact CZ-CG2 3.98Å; L265-V298 HydrophobicContact CD2-CB 4.14Å; L265-V298 HydrophobicContact CD2-CG1 3.48Å; L265-V298 VanDerWaalsContact CD2-CG1 3.48Å; S270-V298 CarbonylContact C-O 3.59Å; S270-V298 WeakPolarHBondContact CA-O 3.45Å; L271-V298 HydrophobicContact CB-CB 4.45Å; L271-V298 PolarHBondContact N-O 3.25Å; L271-V298 PolarHBondContact O-N 3.24Å; L273-V298 HydrophobicContact CD1-CG2 3.87Å; L273-V298 HydrophobicContact CG-CG2 4.48Å; I296-V298 HydrophobicContact CG2-CG2 3.72Å |
| 299 | H | 93.3 | Very high | 72.3 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.1 | 167 | -52.2 | 70.4 | 0 | 0 | 0 | 108.5 | I170 I171 S269 I297 | I170-H299 WeakPolarHBondContact CA-O 3.36Å; I171-H299 HydrophobicContact CB-CB 4.2Å; I171-H299 PolarHBondContact N-O 3.49Å; I171-H299 PolarHBondContact O-N 3.46Å; S269-H299 CarbonylContact O-C 3.52Å; S269-H299 VanDerWaalsContact O-CA 3.24Å; S269-H299 WeakPolarHBondContact O-CA 3.35Å; I297-H299 WeakPolarHBondContact CG2-CE1 3.11Å |
| 300 | S | 91 | Very high | 72.6 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 12% | 0.119 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.8 | 178.4 | 65.2 | 0 | 0 | 0 | 0 | 109.4 | E169 L265 S268 S269 | E169-S300 WeakPolarHBondContact O-CA 3.25Å; L265-S300 WeakPolarHBondContact O-CB 3.31Å; L265-S300 PolarHBondContact O-OG 3.49Å; S268-S300 PolarHBondContact O-OG 3.03Å; S269-S300 PolarHBondContact O-N 2.98Å |
| 301 | R | 85.7 | Confident | 72.6 | Confident | 38 Ų | 38 | 56.6 Ų | 56.6 | 14% | 0.143 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 119.8 | 177.4 | 177.8 | 175 | 167.4 | -154 | -29.5 | 108.8 | E169 Q303 H343 D446 V447 G449 | E169-R301 HydrophobicContact CB-CB 4.45Å; E169-R301 PolarHBondContact N-O 2.89Å; E169-R301 PolarHBondContact O-N 3.33Å; R301-Q303 VanDerWaalsContact NH2-NE2 3.2Å; R301-Q303 PolarHBondContact O-N 3.05Å; R301-H343 PolarHBondContact NH1-CD2 2.83Å; R301-H343 PolarHBondContact NH1-CE1 3.19Å; R301-H343 VanDerWaalsContact NH1-CG 3.27Å; R301-H343 PolarHBondContact NH1-ND1 3.02Å; R301-H343 PolarHBondContact NH1-NE2 2.82Å; R301-D446 PolarHBondContact NH1-O 3.49Å; R301-D446 PolarHBondContact NH2-O 3.34Å; R301-V447 VanDerWaalsContact CZ-C 3.42Å; R301-V447 PolarHBondContact NE-O 3.34Å; R301-V447 VanDerWaalsContact NH2-CA 3.31Å; R301-V447 PolarHBondContact NH2-O 3.33Å; R301-G449 VanDerWaalsContact NH2-N 3.12Å |
| 302 | K | 84.3 | Confident | 72.4 | Confident | 137 Ų | 137 | 63.6 Ų | 63.6 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127 | 172.4 | -67.2 | -176.5 | -178.3 | -179.3 | 0 | 108.3 | L168 | L168-K302 HydrophobicContact CD1-CG 3.98Å |
| 303 | Q | 78.3 | Confident | 71.3 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 2% | 0.023 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.6 | 177 | -66.7 | -69 | -5.8 | 0 | 0 | 107.4 | G167 E169 F225 R301 D448 | G167-Q303 PolarHBondContact N-O 3.27Å; G167-Q303 PolarHBondContact O-N 2.73Å; E169-Q303 HydrophobicContact CB-CG 3.95Å; E169-Q303 PolarHBondContact OE2-NE2 3.3Å; F225-Q303 HydrophobicContact CE2-CB 4.13Å; F225-Q303 HydrophobicContact CE2-CG 4.17Å; R301-Q303 VanDerWaalsContact NH2-NE2 3.2Å; R301-Q303 PolarHBondContact O-N 3.05Å; Q303-D448 PolarHBondContact OE1-O 3.2Å |
| 304 | K | 73.5 | Confident | 69.9 | Low | 124 Ų | 124 | 60.3 Ų | 60.3 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 152.7 | 173.3 | -70.8 | 173.3 | -175.4 | 151.2 | 0 | 108.9 | D448 | K304-D448 IonicContact NZ-OD1 3.89Å; K304-D448 PolarHBondContact NZ-OD1 2.91Å |
| 305 | P | 68 | Low | 68.2 | Low | 60 Ų | 60 | 61 Ų | 61 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 149.7 | 162.5 | 26.7 | -32.7 | 0 | 0 | 0 | 109.1 | D307 Q450 | P305-D307 PolarHBondContact O-N 3.5Å; P305-Q450 PolarHBondContact O-NE2 2.66Å |
| 306 | L | 60.3 | Low | 66.2 | Low | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 127.9 | 173.5 | -73.9 | 157.3 | 0 | 0 | 0 | 108.9 | L163 F308 L451 | L163-L306 HydrophobicContact CD2-CD1 3.52Å; L163-L306 HydrophobicContact CG-CD1 4.28Å; L163-L306 WeakPolarHBondContact O-CD1 3.4Å; L306-F308 WeakPolarHBondContact O-CE2 3.43Å; L306-L451 HydrophobicContact CD2-CD1 4.39Å; L306-L451 HydrophobicContact CD2-CG 4.19Å |
| 307 | D | 54.1 | Low | 64.2 | Low | 79 Ų | 79 | 62.7 Ų | 62.7 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | trans | -87.1 | 110.7 | -179 | -177.7 | 0.3 | 0 | 0 | 0 | 110.3 | P305 T309 | P305-D307 PolarHBondContact O-N 3.5Å; D307-T309 PolarHBondContact O-N 3.21Å; D307-T309 WeakPolarHBondContact OD1-CB 3.27Å; D307-T309 PolarHBondContact OD1-N 2.81Å; D307-T309 PolarHBondContact OD1-OG1 3.44Å; D307-T309 PolarHBondContact OD2-OG1 2.83Å | ||
| 308 | F | 52.3 | Low | 62.2 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 6.7 | 179.5 | -56.4 | -74.1 | 0 | 0 | 0 | 114.2 | N164 L306 L318 | N164-F308 WeakPolarHBondContact OD1-CZ 3.44Å; L306-F308 WeakPolarHBondContact O-CE2 3.43Å; F308-L318 HydrophobicContact CD1-CD1 4.25Å; F308-L318 HydrophobicContact CD1-CD2 3.65Å; F308-L318 HydrophobicContact CD1-CG 3.81Å; F308-L318 HydrophobicContact CE1-CD2 3.94Å; F308-L318 HydrophobicContact CE1-CG 4.23Å; F308-L318 HydrophobicContact CG-CD2 4.45Å |
| 309 | T | 47.5 | Very low | 60.9 | Low | 119 Ų | 119 | 64.9 Ų | 64.9 | 73% | 0.73 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -11.7 | -179.9 | 67.5 | 0 | 0 | 0 | 0 | 113.3 | D307 A311 | D307-T309 PolarHBondContact O-N 3.21Å; D307-T309 WeakPolarHBondContact OD1-CB 3.27Å; D307-T309 PolarHBondContact OD1-N 2.81Å; D307-T309 PolarHBondContact OD1-OG1 3.44Å; D307-T309 PolarHBondContact OD2-OG1 2.83Å; T309-A311 PolarHBondContact O-N 3.49Å |
| 310 | A | 45.8 | Very low | 60.3 | Low | 42 Ų | 42 | 62.3 Ų | 62.3 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | trans | -76 | 96.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K312 V313 | A310-K312 PolarHBondContact O-N 3.35Å; A310-V313 PolarHBondContact O-N 3.29Å | ||
| 311 | A | 44.2 | Very low | 59.8 | Low | 104 Ų | 104 | 64.9 Ų | 64.9 | 86% | 0.86 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -3.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | T309 | T309-A311 PolarHBondContact O-N 3.49Š|
| 312 | K | 46.1 | Very low | 59.7 | Low | 206 Ų | 206 | 63.4 Ų | 63.4 | 90% | 0.896 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -11.1 | -176.6 | -86.7 | -177.4 | 174.8 | 178.8 | 0 | 115.6 | A310 | A310-K312 PolarHBondContact O-N 3.35Š|
| 313 | V | 40.9 | Very low | 60 | Low | 68 Ų | 68 | 56.9 Ų | 56.9 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -1.9 | -168.7 | 172.2 | 0 | 0 | 0 | 0 | 112.7 | A310 A315 L451 | A310-V313 PolarHBondContact O-N 3.29Å; V313-A315 PolarHBondContact O-N 2.88Å; V313-L451 WeakPolarHBondContact CG1-O 3.27Å |
| 314 | D | 45.4 | Very low | 60.6 | Low | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.203 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 8 | -149.6 | -158.4 | 28.7 | 0 | 0 | 0 | 116.7 | K847 | D314-K847 IonicContact OD2-NZ 3.99Š|
| 315 | A | 48.4 | Very low | 61.3 | Low | 44 Ų | 44 | 54.2 Ų | 54.2 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -23.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | V313 P742 | V313-A315 PolarHBondContact O-N 2.88Å; A315-P742 WeakPolarHBondContact CB-O 3.48Å |
| 316 | N | 49.6 | Very low | 62.3 | Low | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -27 | -161.7 | -77.4 | -23.2 | 0 | 0 | 0 | 115 | R743 | N316-R743 PolarHBondContact O-NH2 2.8Å; N316-R743 VanDerWaalsContact OD1-CD 3.24Å; N316-R743 WeakPolarHBondContact OD1-CD 3.42Å; N316-R743 VanDerWaalsContact OD1-CG 3.3Å; N316-R743 WeakPolarHBondContact OD1-CG 3.49Å; N316-R743 VanDerWaalsContact OD1-CZ 3.32Å; N316-R743 PolarHBondContact OD1-NE 2.81Å; N316-R743 VanDerWaalsContact OD1-NE 3.08Å |
| 317 | M | 50.8 | Low | 63.6 | Low | 13 Ų | 13 | 54.9 Ų | 54.9 | 6% | 0.064 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -35.2 | -171.8 | -90 | -62.3 | 144.2 | 0 | 0 | 116.8 | L163 S319 L320 F347 L451 | L163-M317 HydrophobicContact CD1-CE 4.41Å; L163-M317 HydrophobicContact CD1-SD 3.44Å; L163-M317 WeakPolarHBondContact CD1-SD 3.25Å; L163-M317 HydrophobicContact CD2-CB 4.03Å; L163-M317 HydrophobicContact CD2-CG 3.71Å; L163-M317 HydrophobicContact CD2-SD 3.39Å; L163-M317 WeakPolarHBondContact CD2-SD 3.22Å; L163-M317 HydrophobicContact CG-SD 4Å; M317-S319 PolarHBondContact O-N 2.91Å; M317-L320 HydrophobicContact CE-CD1 3.34Å; M317-L320 HydrophobicContact CE-CG 3.99Å; M317-L320 PolarHBondContact O-N 3.32Å; M317-L320 HydrophobicContact SD-CB 4.07Å; M317-L320 HydrophobicContact SD-CD1 3.77Å; M317-L320 HydrophobicContact SD-CG 4.07Å; M317-F347 HydrophobicContact CE-CD2 3.81Å; M317-F347 HydrophobicContact CE-CE2 3.65Å; M317-F347 HydrophobicContact CE-CG 4.41Å; M317-F347 HydrophobicContact CE-CZ 4.13Å; M317-L451 HydrophobicContact CB-CD1 4.17Å; M317-L451 HydrophobicContact CE-CD1 4Å; M317-L451 HydrophobicContact CG-CD1 3.14Å; M317-L451 HydrophobicContact SD-CD1 4.38Å |
| 318 | L | 51.2 | Low | 65.2 | Low | 74 Ų | 74 | 52 Ų | 52 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.8 | -27.3 | 168.3 | -74.1 | 167.2 | 0 | 0 | 0 | 110.4 | F308 | F308-L318 HydrophobicContact CD1-CD1 4.25Å; F308-L318 HydrophobicContact CD1-CD2 3.65Å; F308-L318 HydrophobicContact CD1-CG 3.81Å; F308-L318 HydrophobicContact CE1-CD2 3.94Å; F308-L318 HydrophobicContact CE1-CG 4.23Å; F308-L318 HydrophobicContact CG-CD2 4.45Å |
| 319 | S | 68.2 | Low | 66.9 | Low | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -48.9 | 170.7 | 175.8 | 0 | 0 | 0 | 0 | 114.4 | M317 R321 S322 V323 S738 V739 P742 | M317-S319 PolarHBondContact O-N 2.91Å; S319-R321 PolarHBondContact O-N 2.96Å; S319-S322 PolarHBondContact O-N 2.98Å; S319-S322 VanDerWaalsContact O-N 3.16Å; S319-S322 PolarHBondContact O-OG 3.36Å; S319-V323 WeakPolarHBondContact O-CG2 3.25Å; S319-V323 PolarHBondContact O-N 2.96Å; S319-S738 PolarHBondContact OG-O 2.93Å; S319-V739 PolarHBondContact OG-O 2.99Å; S319-P742 WeakPolarHBondContact OG-CG 3Å |
| 320 | L | 81.4 | Confident | 69.1 | Low | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | -171 | -77.4 | -163.8 | 0 | 0 | 0 | 112.9 | M317 S322 V323 C324 L327 F347 V439 Q441 V739 | M317-L320 HydrophobicContact CE-CD1 3.34Å; M317-L320 HydrophobicContact CE-CG 3.99Å; M317-L320 PolarHBondContact O-N 3.32Å; M317-L320 HydrophobicContact SD-CB 4.07Å; M317-L320 HydrophobicContact SD-CD1 3.77Å; M317-L320 HydrophobicContact SD-CG 4.07Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.4Å; L320-V323 PolarHBondContact O-N 2.95Å; L320-C324 WeakPolarHBondContact O-CA 3.21Å; L320-C324 VanDerWaalsContact O-CB 3.23Å; L320-C324 WeakPolarHBondContact O-CB 3.32Å; L320-C324 PolarHBondContact O-N 3.05Å; L320-L327 HydrophobicContact CB-CD2 4.21Å; L320-L327 HydrophobicContact CD1-CD1 4.44Å; L320-F347 HydrophobicContact CD1-CB 4.42Å; L320-V439 HydrophobicContact CD2-CG1 3.79Å; L320-Q441 HydrophobicContact CD1-CB 4.34Å; L320-V739 HydrophobicContact CD2-CG1 3.8Å; L320-V739 HydrophobicContact CD2-CG2 4.12Å |
| 321 | R | 80.1 | Confident | 71.2 | Confident | 72 Ų | 72 | 42.6 Ų | 42.6 | 27% | 0.272 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.9 | -31.4 | 176.9 | -75.3 | -172.9 | 173.7 | -158 | -2.1 | 112.7 | S162 N164 S319 V323 C324 L327 K352 | S162-R321 PolarHBondContact OG-NH2 3.38Å; N164-R321 VanDerWaalsContact CG-NH2 3.34Å; N164-R321 PolarHBondContact ND2-NH1 3.01Å; N164-R321 PolarHBondContact OD1-NH2 3.04Å; S319-R321 PolarHBondContact O-N 2.96Å; R321-V323 VanDerWaalsContact C-N 3.27Å; R321-V323 PolarHBondContact O-N 2.82Å; R321-C324 VanDerWaalsContact O-O 3.06Å; R321-L327 HydrophobicContact CG-CD2 4.37Å; R321-K352 PolarHBondContact O-NZ 3.39Å |
| 322 | S | 83.7 | Confident | 73.7 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.3 | -29.8 | 176.3 | 75.1 | 0 | 0 | 0 | 0 | 112.6 | S319 L320 F828 | S319-S322 PolarHBondContact O-N 2.98Å; S319-S322 VanDerWaalsContact O-N 3.16Å; S319-S322 PolarHBondContact O-OG 3.36Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.4Å; S322-F828 VanDerWaalsContact CB-O 3.25Å; S322-F828 WeakPolarHBondContact CB-O 3.39Å; S322-F828 WeakPolarHBondContact OG-CD1 3.45Å |
| 323 | V | 90 | Very high | 76 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -100 | -30.2 | -176.3 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | S319 L320 R321 K352 T735 V739 L830 | S319-V323 WeakPolarHBondContact O-CG2 3.25Å; S319-V323 PolarHBondContact O-N 2.96Å; L320-V323 PolarHBondContact O-N 2.95Å; R321-V323 VanDerWaalsContact C-N 3.27Å; R321-V323 PolarHBondContact O-N 2.82Å; V323-K352 WeakPolarHBondContact O-CB 3.18Å; V323-K352 PolarHBondContact O-N 2.86Å; V323-T735 HydrophobicContact CG1-CG2 4.17Å; V323-V739 HydrophobicContact CB-CG2 4.12Å; V323-V739 HydrophobicContact CG1-CG2 3.88Å; V323-V739 HydrophobicContact CG2-CG2 4.25Å; V323-L830 HydrophobicContact CB-CD2 4.48Å; V323-L830 HydrophobicContact CG1-CD2 4.2Å; V323-L830 HydrophobicContact CG2-CD2 4.24Å |
| 324 | C | 91 | Very high | 78.6 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.02 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.4 | -172.4 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | L320 R321 E350 K352 V439 | L320-C324 WeakPolarHBondContact O-CA 3.21Å; L320-C324 VanDerWaalsContact O-CB 3.23Å; L320-C324 WeakPolarHBondContact O-CB 3.32Å; L320-C324 PolarHBondContact O-N 3.05Å; R321-C324 VanDerWaalsContact O-O 3.06Å; C324-E350 CarbonylContact C-O 3.56Å; C324-E350 WeakPolarHBondContact CA-O 3.35Å; C324-K352 WeakPolarHBondContact O-CE 3.32Å; C324-V439 WeakPolarHBondContact SG-CG2 3.29Å |
| 325 | D | 89.1 | Confident | 81 | Confident | 71 Ų | 71 | 30.1 Ų | 30.1 | 38% | 0.38 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 171.3 | 165.9 | -153.4 | -7.9 | 0 | 0 | 0 | 110 | L327 E350 K352 L418 | D325-L327 PolarHBondContact O-N 2.72Å; D325-L327 VanDerWaalsContact O-N 3.16Å; D325-E350 PolarHBondContact N-O 2.99Å; D325-E350 PolarHBondContact O-N 3.28Å; D325-K352 HydrophobicContact CB-CG 4.17Å; D325-L418 HydrophobicContact CB-CD1 3.56Å; D325-L418 WeakPolarHBondContact OD2-CD1 3.21Å |
| 326 | N | 88 | Confident | 83.1 | Confident | 76 Ų | 76 | 29.7 Ų | 29.7 | 41% | 0.406 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.3 | 46 | 179.4 | -68.4 | -39.4 | 0 | 0 | 0 | 112.5 | L328 E350 | N326-L328 PolarHBondContact O-N 3.17Å; N326-E350 HydrophobicContact CB-CG 4.17Å; N326-E350 PolarHBondContact ND2-OE2 3.12Å |
| 327 | L | 87 | Confident | 85.1 | Confident | 26 Ų | 26 | 31.9 Ų | 31.9 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 108.1 | -173.8 | -173.3 | 58.4 | 0 | 0 | 0 | 110.6 | L163 L320 R321 D325 F347 | L163-L327 HydrophobicContact CD1-CD2 3.28Å; L163-L327 HydrophobicContact CD1-CG 4.06Å; L320-L327 HydrophobicContact CB-CD2 4.21Å; L320-L327 HydrophobicContact CD1-CD1 4.44Å; R321-L327 HydrophobicContact CG-CD2 4.37Å; D325-L327 PolarHBondContact O-N 2.72Å; D325-L327 VanDerWaalsContact O-N 3.16Å; L327-F347 HydrophobicContact CD1-CB 4.15Å |
| 328 | L | 88.9 | Confident | 87 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 151.5 | 178.6 | -56.6 | 177.9 | 0 | 0 | 0 | 110.6 | N326 F347 M348 L1007 D1010 | N326-L328 PolarHBondContact O-N 3.17Å; L328-F347 VanDerWaalsContact O-CA 3.29Å; L328-F347 WeakPolarHBondContact O-CA 3.42Å; L328-M348 HydrophobicContact CD1-CE 4.09Å; L328-M348 PolarHBondContact N-O 2.96Å; L328-M348 PolarHBondContact O-N 2.9Å; L328-L1007 HydrophobicContact CB-CD1 4.25Å; L328-L1007 HydrophobicContact CB-CD2 3.53Å; L328-L1007 HydrophobicContact CD1-CD2 4.3Å; L328-L1007 WeakPolarHBondContact O-CD1 3.31Å; L328-D1010 HydrophobicContact CD1-CB 4.34Å |
| 329 | S | 88.7 | Confident | 88.8 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.049 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.9 | 175.1 | 72.9 | 0 | 0 | 0 | 0 | 113.2 | G161 E346 | G161-S329 PolarHBondContact O-OG 3.35Å; S329-E346 CarbonylContact C-O 3.58Å; S329-E346 VanDerWaalsContact CA-O 3.24Å; S329-E346 WeakPolarHBondContact CA-O 3.4Å |
| 330 | K | 91.6 | Very high | 90 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 146 | 169.4 | -67.2 | -62.3 | 178.9 | -158.2 | 0 | 110 | E160 Y332 I345 E346 L1007 | E160-K330 IonicContact OE1-NZ 2.76Å; E160-K330 PolarHBondContact OE1-NZ 3.3Å; E160-K330 WeakPolarHBondContact OE2-CD 3.42Å; E160-K330 IonicContact OE2-NZ 2.76Å; E160-K330 PolarHBondContact OE2-NZ 2.7Å; K330-Y332 HydrophobicContact CB-CE2 3.8Å; K330-Y332 WeakPolarHBondContact CB-OH 3.41Å; K330-I345 CarbonylContact O-C 3.6Å; K330-I345 WeakPolarHBondContact O-CA 3.48Å; K330-E346 HydrophobicContact CB-CB 4.47Å; K330-E346 PolarHBondContact N-O 3.43Å; K330-E346 PolarHBondContact O-N 3.31Å; K330-L1007 HydrophobicContact CB-CG 4.35Å; K330-L1007 HydrophobicContact CD-CD2 4.43Å; K330-L1007 HydrophobicContact CG-CD2 3.58Å; K330-L1007 HydrophobicContact CG-CG 3.73Å |
| 331 | R | 91.9 | Very high | 90.5 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 143.1 | -175.2 | -60.3 | -172.7 | -171.6 | -124.4 | 2.6 | 112.2 | T223 F225 I344 I345 | T223-R331 PolarHBondContact N-O 3.1Å; T223-R331 WeakPolarHBondContact OG1-CB 3.47Å; T223-R331 PolarHBondContact OG1-O 3.31Å; F225-R331 VanDerWaalsContact CD2-NE 3.26Å; F225-R331 VanDerWaalsContact CE2-CZ 3.48Å; F225-R331 VanDerWaalsContact CE2-NH2 3.28Å; R331-I344 WeakPolarHBondContact CA-O 3.45Å; R331-I345 HydrophobicContact CG-CG1 4.19Å; R331-I345 HydrophobicContact CG-CG2 4.35Å |
| 332 | Y | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155.9 | -175.7 | -52 | -82.8 | 0 | 0 | 0 | 112.2 | S221 K222 K330 F334 I344 E346 I1002 G1006 | S221-Y332 CarbonylContact O-C 3.59Å; S221-Y332 VanDerWaalsContact O-CA 3.28Å; S221-Y332 WeakPolarHBondContact O-CA 3.44Å; K222-Y332 HydrophobicContact CB-CD1 4.2Å; K222-Y332 HydrophobicContact CB-CE1 4.21Å; K222-Y332 HydrophobicContact CG-CE1 4.32Å; K330-Y332 HydrophobicContact CB-CE2 3.8Å; K330-Y332 WeakPolarHBondContact CB-OH 3.41Å; Y332-F334 HydrophobicContact CG-CE2 4.47Å; Y332-F334 HydrophobicContact CG-CZ 4.49Å; Y332-I344 HydrophobicContact CD2-CG2 4.31Å; Y332-I344 PolarHBondContact N-O 2.87Å; Y332-I344 PolarHBondContact O-N 3.5Å; Y332-E346 HydrophobicContact CE2-CB 3.79Å; Y332-E346 PolarHBondContact OH-OE2 2.91Å; Y332-I1002 HydrophobicContact CD1-CG1 4.46Å; Y332-I1002 HydrophobicContact CD2-CG1 4.48Å; Y332-I1002 HydrophobicContact CE1-CG1 4.23Å; Y332-I1002 HydrophobicContact CE2-CG1 4.26Å; Y332-G1006 WeakPolarHBondContact OH-CA 3.4Å; Y332-G1006 PolarHBondContact OH-N 2.98Å |
| 333 | K | 94.9 | Very high | 91.6 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.3 | 173.4 | 161 | 162.1 | -179.4 | 158.1 | 0 | 110.6 | I171 S221 T223 T341 M342 | I171-K333 HydrophobicContact CD1-CD 4.32Å; I171-K333 HydrophobicContact CG2-CD 4.26Å; S221-K333 WeakPolarHBondContact CB-O 3.41Å; S221-K333 PolarHBondContact O-N 2.82Å; T223-K333 HydrophobicContact CG2-CB 4.17Å; K333-T341 HydrophobicContact CD-CG2 3.41Å; K333-T341 VanDerWaalsContact CD-CG2 3.41Å; K333-T341 WeakPolarHBondContact CE-OG1 3.39Å; K333-T341 HydrophobicContact CG-CG2 3.7Å; K333-T341 VanDerWaalsContact NZ-CG2 3.32Å; K333-T341 PolarHBondContact NZ-OG1 2.8Å; K333-M342 WeakPolarHBondContact CA-O 3.36Å |
| 334 | F | 95.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 2% | 0.022 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | -178.7 | 169.4 | -57.8 | -60 | 0 | 0 | 0 | 110.8 | Y332 M342 I344 L985 M990 C994 A998 C1001 | Y332-F334 HydrophobicContact CG-CE2 4.47Å; Y332-F334 HydrophobicContact CG-CZ 4.49Å; F334-M342 PolarHBondContact N-O 3.4Å; F334-M342 VanDerWaalsContact N-O 3.11Å; F334-M342 PolarHBondContact O-N 3.38Å; F334-I344 HydrophobicContact CB-CD1 4.43Å; F334-I344 HydrophobicContact CD2-CD1 3.29Å; F334-I344 HydrophobicContact CE2-CD1 3.88Å; F334-I344 HydrophobicContact CG-CD1 4.29Å; F334-L985 HydrophobicContact CD2-CD1 4.32Å; F334-L985 HydrophobicContact CE2-CD1 4.33Å; F334-M990 HydrophobicContact CB-CG 4.18Å; F334-M990 HydrophobicContact CB-SD 4.08Å; F334-M990 HydrophobicContact CD2-SD 3.98Å; F334-M990 HydrophobicContact CG-SD 4.11Å; F334-C994 HydrophobicContact CB-CB 4.4Å; F334-A998 HydrophobicContact CD1-CB 4.01Å; F334-A998 HydrophobicContact CD2-CB 3.91Å; F334-A998 VanDerWaalsContact CE1-CA 3.46Å; F334-A998 HydrophobicContact CE1-CB 3.64Å; F334-A998 HydrophobicContact CE2-CB 3.59Å; F334-A998 HydrophobicContact CG-CB 4.17Å; F334-A998 VanDerWaalsContact CZ-CA 3.41Å; F334-A998 HydrophobicContact CZ-CB 3.47Å; F334-A998 VanDerWaalsContact CZ-CB 3.47Å; F334-C1001 HydrophobicContact CE1-CB 4.47Å; F334-C1001 HydrophobicContact CZ-CB 4.34Å |
| 335 | Q | 94.7 | Very high | 91.8 | Very high | 101 Ų | 101 | 43.7 Ų | 43.7 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 138 | 176.7 | -66.7 | 179.8 | -53 | 0 | 0 | 110.5 | E340 H991 | Q335-E340 WeakPolarHBondContact CA-O 3.31Å; Q335-H991 PolarHBondContact O-N 3.36Å |
| 336 | D | 93.6 | Very high | 92.1 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -78.4 | 176 | 168.8 | 77.3 | 6.5 | 0 | 0 | 0 | 111.5 | I338 G339 E340 M342 G989 H991 | D336-I338 PolarHBondContact O-N 3.34Å; D336-I338 WeakPolarHBondContact OD1-CA 3.3Å; D336-I338 PolarHBondContact OD1-N 2.88Å; D336-G339 PolarHBondContact O-N 2.86Å; D336-G339 VanDerWaalsContact O-N 3.09Å; D336-G339 PolarHBondContact OD1-N 3.48Å; D336-E340 PolarHBondContact N-O 2.87Å; D336-E340 PolarHBondContact OD1-N 3.28Å; D336-E340 WeakPolarHBondContact OD2-CB 3.47Å; D336-M342 HydrophobicContact CB-CG 3.6Å; D336-M342 HydrophobicContact CB-SD 3.73Å; D336-G989 CarbonylContact C-O 3.58Å; D336-G989 WeakPolarHBondContact CA-O 3.48Å; D336-H991 WeakPolarHBondContact O-CB 3.38Å |
| 337 | S | 91.2 | Very high | 92.3 | Very high | 80 Ų | 80 | 37 Ų | 37 | 56% | 0.559 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.5 | -178.2 | -61.6 | 0 | 0 | 0 | 0 | 114.4 | G989 | S337-G989 PolarHBondContact N-O 2.86Å; S337-G989 PolarHBondContact OG-O 2.81Å |
| 338 | I | 91.1 | Very high | 92.6 | Very high | 149 Ų | 149 | 35.9 Ų | 35.9 | 76% | 0.764 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -13.3 | 178.9 | -51.2 | 174.3 | 0 | 0 | 0 | 110.6 | D336 | D336-I338 PolarHBondContact O-N 3.34Å; D336-I338 WeakPolarHBondContact OD1-CA 3.3Å; D336-I338 PolarHBondContact OD1-N 2.88Å |
| 339 | G | 89.3 | Confident | 92.8 | Very high | 41 Ų | 41 | 35 Ų | 35 | 42% | 0.423 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 99.1 | -0.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D336 | D336-G339 PolarHBondContact O-N 2.86Å; D336-G339 VanDerWaalsContact O-N 3.09Å; D336-G339 PolarHBondContact OD1-N 3.48Å |
| 340 | E | 92.3 | Very high | 93.1 | Very high | 130 Ų | 130 | 34.8 Ų | 34.8 | 61% | 0.607 | 19% | 0.189 | S | C | * | . | P | Polyproline II helix | trans | -75.7 | 164 | 176.1 | -68.5 | -59.6 | 142.1 | 0 | 0 | 111.5 | Q335 D336 | Q335-E340 WeakPolarHBondContact CA-O 3.31Å; D336-E340 PolarHBondContact N-O 2.87Å; D336-E340 PolarHBondContact OD1-N 3.28Å; D336-E340 WeakPolarHBondContact OD2-CB 3.47Å |
| 341 | T | 91.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 31% | 0.307 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.6 | -176.5 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | K333 H343 | K333-T341 HydrophobicContact CD-CG2 3.41Å; K333-T341 VanDerWaalsContact CD-CG2 3.41Å; K333-T341 WeakPolarHBondContact CE-OG1 3.39Å; K333-T341 HydrophobicContact CG-CG2 3.7Å; K333-T341 VanDerWaalsContact NZ-CG2 3.32Å; K333-T341 PolarHBondContact NZ-OG1 2.8Å; T341-H343 VanDerWaalsContact CG2-NE2 3.31Å; T341-H343 WeakPolarHBondContact CG2-NE2 3.47Å |
| 342 | M | 93.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 126.6 | 166.9 | -61 | -178.2 | 82.2 | 0 | 0 | 110.7 | K333 F334 D336 I344 L444 E988 M990 | K333-M342 WeakPolarHBondContact CA-O 3.36Å; F334-M342 PolarHBondContact N-O 3.4Å; F334-M342 VanDerWaalsContact N-O 3.11Å; F334-M342 PolarHBondContact O-N 3.38Å; D336-M342 HydrophobicContact CB-CG 3.6Å; D336-M342 HydrophobicContact CB-SD 3.73Å; M342-I344 HydrophobicContact CB-CD1 4.38Å; M342-L444 HydrophobicContact CE-CD1 3.82Å; M342-L444 HydrophobicContact CE-CD2 3.77Å; M342-L444 HydrophobicContact CE-CG 4.49Å; M342-E988 HydrophobicContact CE-CB 4.42Å; M342-M990 HydrophobicContact CE-CB 4.35Å; M342-M990 WeakPolarHBondContact SD-CA 3.48Å; M342-M990 HydrophobicContact SD-CB 3.66Å; M342-M990 HydrophobicContact SD-CG 4.22Å |
| 343 | H | 92.7 | Very high | 93.6 | Very high | 24 Ų | 24 | 37.2 Ų | 37.2 | 11% | 0.111 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.1 | 175.8 | -69.1 | -88.9 | 0 | 0 | 0 | 110.5 | E169 R301 T341 T445 | E169-H343 IonicContact OE2-ND1 2.72Å; R301-H343 PolarHBondContact NH1-CD2 2.83Å; R301-H343 PolarHBondContact NH1-CE1 3.19Å; R301-H343 VanDerWaalsContact NH1-CG 3.27Å; R301-H343 PolarHBondContact NH1-ND1 3.02Å; R301-H343 PolarHBondContact NH1-NE2 2.82Å; T341-H343 VanDerWaalsContact CG2-NE2 3.31Å; T341-H343 WeakPolarHBondContact CG2-NE2 3.47Å; H343-T445 VanDerWaalsContact CB-OG1 3.27Å; H343-T445 WeakPolarHBondContact CB-OG1 3.45Å; H343-T445 PolarHBondContact O-N 3.14Å; H343-T445 PolarHBondContact O-OG1 3.36Å |
| 344 | I | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 141 | -169 | -66.4 | 148.6 | 0 | 0 | 0 | 110.4 | R331 Y332 F334 M342 I442 A443 L444 L985 | R331-I344 WeakPolarHBondContact CA-O 3.45Å; Y332-I344 HydrophobicContact CD2-CG2 4.31Å; Y332-I344 PolarHBondContact N-O 2.87Å; Y332-I344 PolarHBondContact O-N 3.5Å; F334-I344 HydrophobicContact CB-CD1 4.43Å; F334-I344 HydrophobicContact CD2-CD1 3.29Å; F334-I344 HydrophobicContact CE2-CD1 3.88Å; F334-I344 HydrophobicContact CG-CD1 4.29Å; M342-I344 HydrophobicContact CB-CD1 4.38Å; I344-I442 HydrophobicContact CG2-CD1 3.85Å; I344-I442 HydrophobicContact CG2-CG1 3.68Å; I344-A443 VanDerWaalsContact CA-O 3.3Å; I344-A443 WeakPolarHBondContact CA-O 3.35Å; I344-L444 HydrophobicContact CD1-CD2 4.43Å; I344-L444 HydrophobicContact CG1-CD2 3.56Å; I344-L985 HydrophobicContact CD1-CD1 3.77Å; I344-L985 HydrophobicContact CD1-CD2 3.71Å; I344-L985 HydrophobicContact CD1-CG 4.37Å; I344-L985 HydrophobicContact CG1-CD1 4.49Å; I344-L985 HydrophobicContact CG1-CD2 3.72Å; I344-L985 HydrophobicContact CG2-CD1 4.46Å; I344-L985 HydrophobicContact CG2-CD2 4.2Å |
| 345 | I | 91.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.046 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.4 | 171 | -47.5 | -175.3 | 0 | 0 | 0 | 109.2 | K330 R331 F347 I442 A443 T445 | K330-I345 CarbonylContact O-C 3.6Å; K330-I345 WeakPolarHBondContact O-CA 3.48Å; R331-I345 HydrophobicContact CG-CG1 4.19Å; R331-I345 HydrophobicContact CG-CG2 4.35Å; I345-F347 HydrophobicContact CB-CE2 3.83Å; I345-F347 HydrophobicContact CB-CZ 3.92Å; I345-F347 HydrophobicContact CD1-CZ 4.39Å; I345-F347 HydrophobicContact CG2-CD1 4.23Å; I345-F347 HydrophobicContact CG2-CD2 4.14Å; I345-F347 HydrophobicContact CG2-CE1 3.64Å; I345-F347 HydrophobicContact CG2-CE2 3.55Å; I345-F347 HydrophobicContact CG2-CG 4.46Å; I345-F347 HydrophobicContact CG2-CZ 3.29Å; I345-I442 WeakPolarHBondContact O-CA 3.4Å; I345-A443 PolarHBondContact N-O 2.84Å; I345-A443 PolarHBondContact O-N 2.83Å; I345-T445 HydrophobicContact CD1-CG2 3.63Å; I345-T445 HydrophobicContact CG1-CG2 3.92Å |
| 346 | E | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.1 | 167.8 | -171.4 | -168 | -161.9 | 0 | 0 | 108.6 | S329 K330 Y332 Q441 Q981 G1006 L1007 | S329-E346 CarbonylContact C-O 3.58Å; S329-E346 VanDerWaalsContact CA-O 3.24Å; S329-E346 WeakPolarHBondContact CA-O 3.4Å; K330-E346 HydrophobicContact CB-CB 4.47Å; K330-E346 PolarHBondContact N-O 3.43Å; K330-E346 PolarHBondContact O-N 3.31Å; Y332-E346 HydrophobicContact CE2-CB 3.79Å; Y332-E346 PolarHBondContact OH-OE2 2.91Å; E346-Q441 CarbonylContact C-O 3.52Å; E346-Q441 WeakPolarHBondContact CA-O 3.39Å; E346-Q981 PolarHBondContact OE1-NE2 3.37Å; E346-G1006 WeakPolarHBondContact OE2-CA 3.37Å; E346-L1007 HydrophobicContact CB-CD1 4.37Å; E346-L1007 HydrophobicContact CG-CD1 4Å; E346-L1007 HydrophobicContact CG-CG 4.36Å; E346-L1007 WeakPolarHBondContact O-CD1 3.31Å; E346-L1007 PolarHBondContact OE2-N 3.36Å |
| 347 | F | 92.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 30.6 Ų | 30.6 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.8 | 173.9 | -58.5 | -81.2 | 0 | 0 | 0 | 111.4 | L163 M317 L320 L327 L328 I345 N440 Q441 A443 L451 | L163-F347 HydrophobicContact CD1-CD1 3.57Å; L163-F347 HydrophobicContact CD1-CE1 3.27Å; L163-F347 HydrophobicContact CD1-CG 4.46Å; L163-F347 HydrophobicContact CD1-CZ 3.95Å; L163-F347 HydrophobicContact CG-CE1 3.8Å; L163-F347 HydrophobicContact CG-CZ 4.29Å; M317-F347 HydrophobicContact CE-CD2 3.81Å; M317-F347 HydrophobicContact CE-CE2 3.65Å; M317-F347 HydrophobicContact CE-CG 4.41Å; M317-F347 HydrophobicContact CE-CZ 4.13Å; L320-F347 HydrophobicContact CD1-CB 4.42Å; L327-F347 HydrophobicContact CD1-CB 4.15Å; L328-F347 VanDerWaalsContact O-CA 3.29Å; L328-F347 WeakPolarHBondContact O-CA 3.42Å; I345-F347 HydrophobicContact CB-CE2 3.83Å; I345-F347 HydrophobicContact CB-CZ 3.92Å; I345-F347 HydrophobicContact CD1-CZ 4.39Å; I345-F347 HydrophobicContact CG2-CD1 4.23Å; I345-F347 HydrophobicContact CG2-CD2 4.14Å; I345-F347 HydrophobicContact CG2-CE1 3.64Å; I345-F347 HydrophobicContact CG2-CE2 3.55Å; I345-F347 HydrophobicContact CG2-CG 4.46Å; I345-F347 HydrophobicContact CG2-CZ 3.29Å; F347-N440 WeakPolarHBondContact O-CA 3.37Å; F347-Q441 HydrophobicContact CB-CB 4.24Å; F347-Q441 HydrophobicContact CD2-CB 4.42Å; F347-Q441 PolarHBondContact N-O 2.84Å; F347-Q441 PolarHBondContact O-N 3.3Å; F347-A443 HydrophobicContact CE2-CB 4.4Å; F347-L451 HydrophobicContact CE2-CD2 4.44Å |
| 348 | M | 94.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 121.3 | 171.8 | -171.6 | -178.8 | 69.3 | 0 | 0 | 109.9 | L328 H438 V439 L1007 N1011 | L328-M348 HydrophobicContact CD1-CE 4.09Å; L328-M348 PolarHBondContact N-O 2.96Å; L328-M348 PolarHBondContact O-N 2.9Å; M348-H438 HydrophobicContact CG-CB 4.03Å; M348-V439 CarbonylContact C-O 3.55Å; M348-V439 VanDerWaalsContact CA-O 3.27Å; M348-V439 WeakPolarHBondContact CA-O 3.29Å; M348-L1007 HydrophobicContact CB-CB 3.77Å; M348-L1007 HydrophobicContact CB-CD1 3.65Å; M348-L1007 HydrophobicContact CB-CG 4.3Å; M348-L1007 HydrophobicContact CE-CB 4.28Å; M348-L1007 WeakPolarHBondContact CE-O 3.45Å; M348-L1007 VanDerWaalsContact N-CD1 3.25Å; M348-L1007 HydrophobicContact SD-CB 4.28Å; M348-N1011 HydrophobicContact CE-CB 3.97Å; M348-N1011 HydrophobicContact SD-CB 4.01Å |
| 349 | G | 93.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | H438 V439 | G349-H438 CarbonylContact O-C 3.5Å; G349-H438 WeakPolarHBondContact O-CA 3.45Å; G349-H438 WeakPolarHBondContact O-CB 3.27Å; G349-V439 PolarHBondContact N-O 2.63Å; G349-V439 PolarHBondContact O-N 3.29Å |
| 350 | E | 95.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 130.6 | 172.6 | -65.3 | 171 | -163.2 | 0 | 0 | 109.4 | C324 D325 N326 K352 L418 F419 K1014 | C324-E350 CarbonylContact C-O 3.56Å; C324-E350 WeakPolarHBondContact CA-O 3.35Å; D325-E350 PolarHBondContact N-O 2.99Å; D325-E350 PolarHBondContact O-N 3.28Å; N326-E350 HydrophobicContact CB-CG 4.17Å; N326-E350 PolarHBondContact ND2-OE2 3.12Å; E350-K352 PolarHBondContact O-N 3.26Å; E350-L418 HydrophobicContact CB-CB 4.03Å; E350-L418 PolarHBondContact OE2-N 3.23Å; E350-L418 VanDerWaalsContact OE2-N 3.08Å; E350-F419 HydrophobicContact CG-CD1 3.92Å; E350-K1014 IonicContact OE1-NZ 3.21Å; E350-K1014 PolarHBondContact OE1-NZ 3.07Å |
| 351 | S | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125.8 | -176.7 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | L353 C354 T735 | S351-L353 PolarHBondContact O-N 3.22Å; S351-L353 VanDerWaalsContact O-N 3.15Å; S351-L353 PolarHBondContact OG-N 2.98Å; S351-C354 WeakPolarHBondContact O-CB 3.33Å; S351-C354 PolarHBondContact O-N 3.47Å; S351-T735 WeakPolarHBondContact OG-CG2 3.42Å; S351-T735 PolarHBondContact OG-OG1 3.17Å |
| 352 | K | 94.9 | Very high | 95.7 | Very high | 77 Ų | 77 | 13.6 Ų | 13.6 | 34% | 0.335 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.1 | 172 | -70.6 | 175.2 | 169.7 | 171.8 | 0 | 112.6 | R321 V323 C324 D325 E350 C354 A356 L418 | R321-K352 PolarHBondContact O-NZ 3.39Å; V323-K352 WeakPolarHBondContact O-CB 3.18Å; V323-K352 PolarHBondContact O-N 2.86Å; C324-K352 WeakPolarHBondContact O-CE 3.32Å; D325-K352 HydrophobicContact CB-CG 4.17Å; E350-K352 PolarHBondContact O-N 3.26Å; K352-C354 VanDerWaalsContact C-N 3.32Å; K352-A356 WeakPolarHBondContact O-CB 3.34Å; K352-L418 HydrophobicContact CG-CD1 4.42Å |
| 353 | L | 96.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.9 | -15.1 | 175.9 | -61.1 | -177.9 | 0 | 0 | 0 | 113.4 | S351 Y355 A356 F357 P358 T731 L734 L830 F832 | S351-L353 PolarHBondContact O-N 3.22Å; S351-L353 VanDerWaalsContact O-N 3.15Å; S351-L353 PolarHBondContact OG-N 2.98Å; L353-Y355 PolarHBondContact O-N 2.97Å; L353-Y355 VanDerWaalsContact O-N 3.1Å; L353-A356 PolarHBondContact O-N 3.33Å; L353-F357 HydrophobicContact CB-CB 4.32Å; L353-F357 WeakPolarHBondContact O-CB 3.37Å; L353-F357 PolarHBondContact O-N 3.5Å; L353-P358 WeakPolarHBondContact O-CD 3.32Å; L353-T731 HydrophobicContact CB-CG2 4.25Å; L353-T731 WeakPolarHBondContact O-CG2 3.45Å; L353-L734 HydrophobicContact CD1-CB 3.81Å; L353-L830 HydrophobicContact CD1-CD2 3.97Å; L353-L830 HydrophobicContact CD2-CD2 3.74Å; L353-L830 HydrophobicContact CD2-CG 4.46Å; L353-L830 HydrophobicContact CG-CD2 3.81Å; L353-F832 HydrophobicContact CD2-CD1 3.27Å; L353-F832 HydrophobicContact CD2-CE1 3.32Å; L353-F832 HydrophobicContact CD2-CG 4.12Å; L353-F832 HydrophobicContact CD2-CZ 4.19Å |
| 354 | C | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -52.5 | -40.6 | -168.1 | -172.4 | 0 | 0 | 0 | 0 | 113.2 | S351 K352 P358 L418 L437 | S351-C354 WeakPolarHBondContact O-CB 3.33Å; S351-C354 PolarHBondContact O-N 3.47Å; K352-C354 VanDerWaalsContact C-N 3.32Å; C354-P358 WeakPolarHBondContact O-CD 3.43Å; C354-P358 VanDerWaalsContact O-CG 3.29Å; C354-P358 WeakPolarHBondContact O-CG 3.34Å; C354-L418 VanDerWaalsContact CB-O 3.26Å; C354-L418 WeakPolarHBondContact CB-O 3.39Å; C354-L437 HydrophobicContact CB-CD2 4.41Å |
| 355 | Y | 97.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 5% | 0.047 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -108.3 | -33.9 | 175.4 | -71.3 | -97.4 | 0 | 0 | 0 | 112.8 | L353 F357 P358 I359 L411 Y414 V433 | L353-Y355 PolarHBondContact O-N 2.97Å; L353-Y355 VanDerWaalsContact O-N 3.1Å; Y355-F357 PolarHBondContact O-N 3.12Å; Y355-P358 WeakPolarHBondContact O-CD 3.35Å; Y355-I359 WeakPolarHBondContact O-CD1 3.21Å; Y355-I359 VanDerWaalsContact O-CG1 3.27Å; Y355-I359 WeakPolarHBondContact O-CG1 3.35Å; Y355-I359 PolarHBondContact O-N 3.03Å; Y355-I359 VanDerWaalsContact O-N 3.16Å; Y355-L411 HydrophobicContact CD1-CD2 4.07Å; Y355-L411 HydrophobicContact CE1-CD2 4.25Å; Y355-Y414 AromaticContact CD1-CD1 3.75Å; Y355-Y414 HydrophobicContact CD1-CD1 3.75Å; Y355-Y414 HydrophobicContact CD1-CE1 4.22Å; Y355-Y414 HydrophobicContact CD1-CG 4.02Å; Y355-Y414 HydrophobicContact CD2-CD1 4.37Å; Y355-Y414 HydrophobicContact CD2-CE1 4.24Å; Y355-Y414 AromaticContact CE1-CD1 3.53Å; Y355-Y414 HydrophobicContact CE1-CD1 3.53Å; Y355-Y414 AromaticContact CE1-CD2 3.96Å; Y355-Y414 HydrophobicContact CE1-CD2 3.96Å; Y355-Y414 AromaticContact CE1-CE1 3.68Å; Y355-Y414 HydrophobicContact CE1-CE1 3.68Å; Y355-Y414 HydrophobicContact CE1-CE2 4.09Å; Y355-Y414 AromaticContact CE1-CG 3.68Å; Y355-Y414 HydrophobicContact CE1-CG 3.68Å; Y355-Y414 AromaticContact CE1-CZ 3.95Å; Y355-Y414 HydrophobicContact CE2-CD1 4.19Å; Y355-Y414 AromaticContact CE2-CE1 3.71Å; Y355-Y414 HydrophobicContact CE2-CE1 3.71Å; Y355-Y414 HydrophobicContact CG-CD1 4.18Å; Y355-Y414 HydrophobicContact CG-CE1 4.49Å; Y355-Y414 AromaticContact CZ-CD1 3.78Å; Y355-Y414 AromaticContact CZ-CE1 3.39Å; Y355-Y414 AromaticContact CZ-CZ 3.54Å; Y355-Y414 VanDerWaalsContact OH-CZ 3.24Å; Y355-Y414 PolarHBondContact OH-OH 2.99Å; Y355-V433 HydrophobicContact CD1-CG1 4.38Å; Y355-V433 HydrophobicContact CD1-CG2 3.94Å; Y355-V433 HydrophobicContact CD2-CG1 4.44Å; Y355-V433 HydrophobicContact CE1-CG1 4Å; Y355-V433 HydrophobicContact CE1-CG2 3.9Å; Y355-V433 HydrophobicContact CE2-CG1 4.05Å |
| 356 | A | 96.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 17.8 Ų | 17.8 | 31% | 0.306 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -62.9 | -42.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K352 L353 I359 E360 F832 | K352-A356 WeakPolarHBondContact O-CB 3.34Å; L353-A356 PolarHBondContact O-N 3.33Å; A356-I359 PolarHBondContact O-N 3.34Å; A356-E360 PolarHBondContact O-N 3.24Å; A356-F832 VanDerWaalsContact C-CZ 3.44Å; A356-F832 HydrophobicContact CB-CE1 4Å; A356-F832 HydrophobicContact CB-CZ 3.69Å; A356-F832 WeakPolarHBondContact O-CZ 3.22Å |
| 357 | F | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.9 | -48.1 | 179 | 178.9 | -87.3 | 0 | 0 | 0 | 112.5 | L353 Y355 I359 E360 Y361 L730 T731 L734 F832 V834 | L353-F357 HydrophobicContact CB-CB 4.32Å; L353-F357 WeakPolarHBondContact O-CB 3.37Å; L353-F357 PolarHBondContact O-N 3.5Å; Y355-F357 PolarHBondContact O-N 3.12Å; F357-I359 PolarHBondContact O-N 3.06Å; F357-E360 PolarHBondContact O-N 2.66Å; F357-Y361 HydrophobicContact CE1-CD2 4.1Å; F357-Y361 HydrophobicContact CE1-CG 4.41Å; F357-Y361 HydrophobicContact CZ-CD2 4.22Å; F357-Y361 WeakPolarHBondContact O-CB 3.5Å; F357-Y361 PolarHBondContact O-N 3.43Å; F357-L730 HydrophobicContact CE1-CB 3.63Å; F357-L730 HydrophobicContact CE1-CD1 4.35Å; F357-L730 HydrophobicContact CZ-CB 3.78Å; F357-L730 HydrophobicContact CZ-CD1 4.15Å; F357-T731 HydrophobicContact CB-CG2 4.42Å; F357-T731 VanDerWaalsContact CD1-OG1 3.25Å; F357-T731 WeakPolarHBondContact CD1-OG1 3.46Å; F357-L734 HydrophobicContact CD2-CD1 3.49Å; F357-L734 VanDerWaalsContact CD2-CD1 3.49Å; F357-L734 HydrophobicContact CE1-CD1 4.49Å; F357-L734 HydrophobicContact CE2-CD1 3.17Å; F357-L734 HydrophobicContact CG-CD1 4.28Å; F357-L734 HydrophobicContact CZ-CD1 3.73Å; F357-F832 HydrophobicContact CB-CE2 4.05Å; F357-F832 HydrophobicContact CB-CZ 4.29Å; F357-F832 AromaticContact CD2-CD2 3.82Å; F357-F832 HydrophobicContact CD2-CD2 3.82Å; F357-F832 HydrophobicContact CD2-CE2 4.03Å; F357-F832 HydrophobicContact CG-CE2 4.49Å; F357-V834 HydrophobicContact CD2-CG2 4.27Å; F357-V834 HydrophobicContact CE2-CG2 3.68Å; F357-V834 HydrophobicContact CZ-CG2 4.11Å |
| 358 | P | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.2 | -35.3 | 173.5 | -32.6 | 38.6 | 0 | 0 | 0 | 115 | L353 C354 Y355 L362 L411 F432 V433 | L353-P358 WeakPolarHBondContact O-CD 3.32Å; C354-P358 WeakPolarHBondContact O-CD 3.43Å; C354-P358 VanDerWaalsContact O-CG 3.29Å; C354-P358 WeakPolarHBondContact O-CG 3.34Å; Y355-P358 WeakPolarHBondContact O-CD 3.35Å; P358-L362 VanDerWaalsContact O-CB 3.31Å; P358-L362 WeakPolarHBondContact O-CB 3.45Å; P358-L362 VanDerWaalsContact O-CG 3.3Å; P358-L362 WeakPolarHBondContact O-CG 3.47Å; P358-L362 PolarHBondContact O-N 2.96Å; P358-L411 HydrophobicContact CB-CD1 3.62Å; P358-F432 HydrophobicContact CB-CB 4.22Å; P358-V433 HydrophobicContact CB-CG2 4.42Å; P358-V433 HydrophobicContact CG-CG2 4.37Å |
| 359 | I | 98.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 24.5 Ų | 24.5 | 14% | 0.144 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.7 | -52.1 | 175.3 | -71.4 | 165.3 | 0 | 0 | 0 | 110.9 | Y355 A356 F357 Y361 L362 K363 L408 L411 V412 | Y355-I359 WeakPolarHBondContact O-CD1 3.21Å; Y355-I359 VanDerWaalsContact O-CG1 3.27Å; Y355-I359 WeakPolarHBondContact O-CG1 3.35Å; Y355-I359 PolarHBondContact O-N 3.03Å; Y355-I359 VanDerWaalsContact O-N 3.16Å; A356-I359 PolarHBondContact O-N 3.34Å; F357-I359 PolarHBondContact O-N 3.06Å; I359-Y361 VanDerWaalsContact C-N 3.34Å; I359-Y361 PolarHBondContact O-N 3Å; I359-L362 PolarHBondContact O-N 3.24Å; I359-K363 HydrophobicContact CG2-CD 4.43Å; I359-K363 WeakPolarHBondContact O-CG 3.15Å; I359-K363 PolarHBondContact O-N 3Å; I359-L408 HydrophobicContact CB-CD1 4.41Å; I359-L408 HydrophobicContact CG2-CD1 3.94Å; I359-L411 HydrophobicContact CD1-CB 4.2Å; I359-L411 HydrophobicContact CG1-CB 3.65Å; I359-L411 HydrophobicContact CG1-CD1 4.34Å; I359-V412 HydrophobicContact CD1-CG2 4.42Å; I359-V412 HydrophobicContact CG1-CG2 4.41Å; I359-V412 HydrophobicContact CG2-CG2 4.14Å |
| 360 | E | 97.5 | Very high | 97 | Very high | 62 Ų | 62 | 30.6 Ų | 30.6 | 29% | 0.29 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67.4 | -35.2 | 179.5 | -69.1 | -59 | 117.9 | 0 | 0 | 112.6 | A356 F357 K363 T364 F832 V834 | A356-E360 PolarHBondContact O-N 3.24Å; F357-E360 PolarHBondContact O-N 2.66Å; E360-K363 WeakPolarHBondContact OE1-CD 3.43Å; E360-K363 IonicContact OE1-NZ 2.98Å; E360-K363 PolarHBondContact OE1-NZ 2.93Å; E360-T364 PolarHBondContact O-N 3.5Å; E360-T364 VanDerWaalsContact O-N 3.1Å; E360-T364 PolarHBondContact O-OG1 3.24Å; E360-F832 HydrophobicContact CB-CE2 3.96Å; E360-F832 HydrophobicContact CG-CE2 3.76Å; E360-F832 HydrophobicContact CG-CZ 4.32Å; E360-V834 HydrophobicContact CB-CG2 4.11Å |
| 361 | Y | 98.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 173.2 | -175.7 | -88.9 | 0 | 0 | 0 | 111 | F357 I359 T364 L365 F432 H723 C727 L730 L837 | F357-Y361 HydrophobicContact CE1-CD2 4.1Å; F357-Y361 HydrophobicContact CE1-CG 4.41Å; F357-Y361 HydrophobicContact CZ-CD2 4.22Å; F357-Y361 WeakPolarHBondContact O-CB 3.5Å; F357-Y361 PolarHBondContact O-N 3.43Å; I359-Y361 VanDerWaalsContact C-N 3.34Å; I359-Y361 PolarHBondContact O-N 3Å; Y361-T364 PolarHBondContact O-N 3.37Å; Y361-L365 HydrophobicContact CE1-CD2 4.09Å; Y361-L365 VanDerWaalsContact O-CB 3.32Å; Y361-L365 WeakPolarHBondContact O-CB 3.25Å; Y361-L365 PolarHBondContact O-N 3.25Å; Y361-F432 HydrophobicContact CD1-CD1 4.22Å; Y361-F432 HydrophobicContact CD1-CE1 4.38Å; Y361-F432 HydrophobicContact CE1-CD1 4.32Å; Y361-F432 HydrophobicContact CE1-CE1 4.13Å; Y361-H723 HydrophobicContact CE1-CB 4.42Å; Y361-C727 HydrophobicContact CD1-CB 3.81Å; Y361-C727 HydrophobicContact CE1-CB 3.86Å; Y361-C727 HydrophobicContact CG-CB 4.2Å; Y361-L730 HydrophobicContact CD2-CD1 4.46Å; Y361-L730 HydrophobicContact CE2-CD1 4.1Å; Y361-L837 HydrophobicContact CE2-CD2 4.22Å |
| 362 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 178.4 | -78.6 | 170.9 | 0 | 0 | 0 | 112.4 | P358 I359 T364 L365 I366 Y404 N407 L408 L411 F432 | P358-L362 VanDerWaalsContact O-CB 3.31Å; P358-L362 WeakPolarHBondContact O-CB 3.45Å; P358-L362 VanDerWaalsContact O-CG 3.3Å; P358-L362 WeakPolarHBondContact O-CG 3.47Å; P358-L362 PolarHBondContact O-N 2.96Å; I359-L362 PolarHBondContact O-N 3.24Å; L362-T364 VanDerWaalsContact C-N 3.33Å; L362-T364 PolarHBondContact O-N 2.9Å; L362-L365 HydrophobicContact CD2-CD2 4.4Å; L362-L365 PolarHBondContact O-N 3.36Å; L362-I366 HydrophobicContact CB-CD1 4.48Å; L362-I366 WeakPolarHBondContact O-CB 3.47Å; L362-I366 WeakPolarHBondContact O-CD1 3Å; L362-I366 WeakPolarHBondContact O-CG1 3.34Å; L362-I366 PolarHBondContact O-N 3.45Å; L362-Y404 HydrophobicContact CD2-CD1 4.38Å; L362-N407 HydrophobicContact CD1-CB 3.94Å; L362-L408 HydrophobicContact CB-CB 4.24Å; L362-L408 HydrophobicContact CB-CD1 4.16Å; L362-L408 HydrophobicContact CD1-CB 4.26Å; L362-L411 HydrophobicContact CD1-CD1 3.79Å; L362-F432 HydrophobicContact CD1-CB 4.4Å; L362-F432 HydrophobicContact CD1-CD2 4.3Å; L362-F432 HydrophobicContact CD1-CG 4.21Å; L362-F432 HydrophobicContact CD2-CD1 3.84Å; L362-F432 HydrophobicContact CD2-CD2 3.95Å; L362-F432 HydrophobicContact CD2-CE1 3.71Å; L362-F432 HydrophobicContact CD2-CE2 3.83Å; L362-F432 HydrophobicContact CD2-CG 3.98Å; L362-F432 HydrophobicContact CD2-CZ 3.71Å; L362-F432 HydrophobicContact CG-CD1 4.2Å; L362-F432 HydrophobicContact CG-CG 4.2Å |
| 363 | K | 97.8 | Very high | 97.2 | Very high | 95 Ų | 95 | 30.9 Ų | 30.9 | 41% | 0.413 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -56.6 | -48 | 174 | -73.5 | 174.3 | -174.8 | 170.5 | 0 | 111.4 | I359 E360 Q367 L408 | I359-K363 HydrophobicContact CG2-CD 4.43Å; I359-K363 WeakPolarHBondContact O-CG 3.15Å; I359-K363 PolarHBondContact O-N 3Å; E360-K363 WeakPolarHBondContact OE1-CD 3.43Å; E360-K363 IonicContact OE1-NZ 2.98Å; E360-K363 PolarHBondContact OE1-NZ 2.93Å; K363-Q367 WeakPolarHBondContact O-CB 3.48Å; K363-Q367 PolarHBondContact O-N 3.22Å; K363-Q367 VanDerWaalsContact O-N 3.09Å; K363-L408 HydrophobicContact CG-CD1 4.09Å; K363-L408 HydrophobicContact CG-CD2 3.92Å |
| 364 | T | 96.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 12% | 0.123 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 179.2 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | E360 Y361 L362 S368 V834 L837 | E360-T364 PolarHBondContact O-N 3.5Å; E360-T364 VanDerWaalsContact O-N 3.1Å; E360-T364 PolarHBondContact O-OG1 3.24Å; Y361-T364 PolarHBondContact O-N 3.37Å; L362-T364 VanDerWaalsContact C-N 3.33Å; L362-T364 PolarHBondContact O-N 2.9Å; T364-S368 WeakPolarHBondContact O-CB 3.49Å; T364-S368 PolarHBondContact O-N 2.72Å; T364-S368 PolarHBondContact O-OG 3.16Å; T364-V834 HydrophobicContact CG2-CG1 3.99Å; T364-L837 HydrophobicContact CG2-CD2 4.47Å |
| 365 | L | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -51.7 | 177.6 | 179.1 | 61.3 | 0 | 0 | 0 | 111.8 | Y361 L362 Q367 S368 E369 Y404 F432 H723 L837 | Y361-L365 HydrophobicContact CE1-CD2 4.09Å; Y361-L365 VanDerWaalsContact O-CB 3.32Å; Y361-L365 WeakPolarHBondContact O-CB 3.25Å; Y361-L365 PolarHBondContact O-N 3.25Å; L362-L365 HydrophobicContact CD2-CD2 4.4Å; L362-L365 PolarHBondContact O-N 3.36Å; L365-Q367 VanDerWaalsContact C-N 3.31Å; L365-Q367 PolarHBondContact O-N 2.94Å; L365-S368 WeakPolarHBondContact O-CB 3.42Å; L365-S368 PolarHBondContact O-N 3.02Å; L365-E369 HydrophobicContact CD1-CG 3.75Å; L365-E369 HydrophobicContact CG-CG 4.15Å; L365-E369 WeakPolarHBondContact O-CB 3.19Å; L365-E369 VanDerWaalsContact O-CG 3.29Å; L365-E369 WeakPolarHBondContact O-CG 3.44Å; L365-E369 PolarHBondContact O-N 3.07Å; L365-Y404 HydrophobicContact CD2-CD1 4.05Å; L365-Y404 HydrophobicContact CD2-CD2 4.23Å; L365-Y404 HydrophobicContact CD2-CE1 3.91Å; L365-Y404 HydrophobicContact CD2-CE2 4.1Å; L365-Y404 HydrophobicContact CD2-CG 4.22Å; L365-Y404 HydrophobicContact CG-CD2 4.35Å; L365-Y404 HydrophobicContact CG-CE2 4.3Å; L365-F432 HydrophobicContact CD2-CE1 4.19Å; L365-F432 HydrophobicContact CD2-CZ 4.41Å; L365-H723 HydrophobicContact CD2-CB 3.93Å; L365-L837 HydrophobicContact CB-CD2 3.9Å; L365-L837 HydrophobicContact CD1-CD1 3.74Å; L365-L837 HydrophobicContact CD1-CD2 3.93Å |
| 366 | I | 98.2 | Very high | 97 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 179.6 | -69.8 | 161.3 | 0 | 0 | 0 | 110.5 | L362 S368 E369 Y370 L401 E405 L408 | L362-I366 HydrophobicContact CB-CD1 4.48Å; L362-I366 WeakPolarHBondContact O-CB 3.47Å; L362-I366 WeakPolarHBondContact O-CD1 3Å; L362-I366 WeakPolarHBondContact O-CG1 3.34Å; L362-I366 PolarHBondContact O-N 3.45Å; I366-S368 VanDerWaalsContact C-N 3.3Å; I366-S368 PolarHBondContact O-N 3.42Å; I366-E369 PolarHBondContact O-N 3.49Å; I366-Y370 VanDerWaalsContact O-CB 3.32Å; I366-Y370 WeakPolarHBondContact O-CB 3.4Å; I366-Y370 PolarHBondContact O-N 3.24Å; I366-L401 HydrophobicContact CB-CD1 4.49Å; I366-L401 HydrophobicContact CG2-CD1 4.09Å; I366-E405 HydrophobicContact CD1-CG 4.06Å; I366-E405 HydrophobicContact CG1-CG 4.38Å; I366-E405 HydrophobicContact CG2-CG 4.08Å; I366-L408 HydrophobicContact CD1-CB 3.94Å; I366-L408 HydrophobicContact CD1-CD2 3.69Å; I366-L408 HydrophobicContact CD1-CG 4.46Å |
| 367 | Q | 95.9 | Very high | 97 | Very high | 114 Ų | 114 | 32.6 Ų | 32.6 | 53% | 0.533 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.3 | -174.3 | -178.9 | 8.9 | 0 | 0 | 111.5 | K363 L365 L371 | K363-Q367 WeakPolarHBondContact O-CB 3.48Å; K363-Q367 PolarHBondContact O-N 3.22Å; K363-Q367 VanDerWaalsContact O-N 3.09Å; L365-Q367 VanDerWaalsContact C-N 3.31Å; L365-Q367 PolarHBondContact O-N 2.94Å; Q367-L371 WeakPolarHBondContact O-CG 3.14Å; Q367-L371 PolarHBondContact O-N 2.83Å |
| 368 | S | 94.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 38 Ų | 38 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.9 | -45.1 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | T364 L365 I366 L371 I372 | T364-S368 WeakPolarHBondContact O-CB 3.49Å; T364-S368 PolarHBondContact O-N 2.72Å; T364-S368 PolarHBondContact O-OG 3.16Å; L365-S368 WeakPolarHBondContact O-CB 3.42Å; L365-S368 PolarHBondContact O-N 3.02Å; I366-S368 VanDerWaalsContact C-N 3.3Å; I366-S368 PolarHBondContact O-N 3.42Å; S368-L371 PolarHBondContact O-N 3.18Å; S368-I372 WeakPolarHBondContact O-CG1 3.46Å; S368-I372 PolarHBondContact O-N 3.13Å |
| 369 | E | 96.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67 | -37 | 179.8 | -70.1 | -72.5 | 174.1 | 0 | 0 | 112.1 | L365 I366 L371 I372 Y373 L401 Y404 Y526 H723 | L365-E369 HydrophobicContact CD1-CG 3.75Å; L365-E369 HydrophobicContact CG-CG 4.15Å; L365-E369 WeakPolarHBondContact O-CB 3.19Å; L365-E369 VanDerWaalsContact O-CG 3.29Å; L365-E369 WeakPolarHBondContact O-CG 3.44Å; L365-E369 PolarHBondContact O-N 3.07Å; I366-E369 PolarHBondContact O-N 3.49Å; E369-L371 PolarHBondContact O-N 3.08Å; E369-I372 PolarHBondContact O-N 3.28Å; E369-Y373 WeakPolarHBondContact O-CB 2.91Å; E369-Y373 PolarHBondContact O-N 3.03Å; E369-L401 HydrophobicContact CB-CD1 3.69Å; E369-Y404 HydrophobicContact CG-CD2 4.35Å; E369-Y404 HydrophobicContact CG-CE2 3.96Å; E369-Y526 PolarHBondContact OE1-OH 3.46Å; E369-H723 IonicContact OE1-CE1 3.48Å; E369-H723 PolarHBondContact OE1-CE1 3.23Å |
| 370 | Y | 97.2 | Very high | 95.9 | Very high | 130 Ų | 130 | 39.4 Ų | 39.4 | 51% | 0.51 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.5 | -45 | 173 | -177.1 | -93.5 | 0 | 0 | 0 | 111.4 | I366 I372 Y373 D374 L401 | I366-Y370 VanDerWaalsContact O-CB 3.32Å; I366-Y370 WeakPolarHBondContact O-CB 3.4Å; I366-Y370 PolarHBondContact O-N 3.24Å; Y370-I372 VanDerWaalsContact C-N 3.32Å; Y370-I372 PolarHBondContact O-N 3.1Å; Y370-Y373 PolarHBondContact O-N 2.77Å; Y370-D374 WeakPolarHBondContact O-CB 3.49Å; Y370-D374 PolarHBondContact O-N 3.24Å; Y370-L401 HydrophobicContact CD2-CD2 4.13Å |
| 371 | L | 95.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.141 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 177.3 | -71 | 175.5 | 0 | 0 | 0 | 112.4 | Q367 S368 E369 S375 A533 | Q367-L371 WeakPolarHBondContact O-CG 3.14Å; Q367-L371 PolarHBondContact O-N 2.83Å; S368-L371 PolarHBondContact O-N 3.18Å; E369-L371 PolarHBondContact O-N 3.08Å; L371-S375 VanDerWaalsContact O-CB 3.3Å; L371-S375 WeakPolarHBondContact O-CB 3.17Å; L371-S375 PolarHBondContact O-N 2.99Å; L371-A533 HydrophobicContact CD1-CB 4.38Å; L371-A533 HydrophobicContact CD2-CB 4.01Å |
| 372 | I | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70 | -44.7 | 175.6 | -69.2 | -59.5 | 0 | 0 | 0 | 111.2 | S368 E369 Y370 D374 S375 L376 M397 L525 Y526 T529 W659 | S368-I372 WeakPolarHBondContact O-CG1 3.46Å; S368-I372 PolarHBondContact O-N 3.13Å; E369-I372 PolarHBondContact O-N 3.28Å; Y370-I372 VanDerWaalsContact C-N 3.32Å; Y370-I372 PolarHBondContact O-N 3.1Å; I372-D374 PolarHBondContact O-N 3.47Å; I372-S375 WeakPolarHBondContact O-CB 3.31Å; I372-S375 PolarHBondContact O-N 2.98Å; I372-L376 PolarHBondContact O-N 2.81Å; I372-M397 HydrophobicContact CG2-CE 3.77Å; I372-L525 HydrophobicContact CD1-CB 3.91Å; I372-Y526 HydrophobicContact CD1-CD1 4.07Å; I372-Y526 HydrophobicContact CD1-CD2 4.05Å; I372-Y526 HydrophobicContact CD1-CE1 4.32Å; I372-Y526 HydrophobicContact CD1-CE2 4.32Å; I372-Y526 HydrophobicContact CD1-CG 3.93Å; I372-Y526 HydrophobicContact CG1-CD1 3.74Å; I372-Y526 HydrophobicContact CG1-CD2 4.22Å; I372-Y526 HydrophobicContact CG1-CE1 3.55Å; I372-Y526 HydrophobicContact CG1-CE2 4.07Å; I372-Y526 HydrophobicContact CG1-CG 4.08Å; I372-T529 HydrophobicContact CD1-CG2 4.26Å; I372-W659 HydrophobicContact CG2-CH2 3.63Å; I372-W659 HydrophobicContact CG2-CZ2 3.74Å; I372-W659 WeakPolarHBondContact O-CZ2 3.25Å |
| 373 | Y | 97.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 48 Ų | 48 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -48.4 | 174.4 | 172 | -98.5 | 0 | 0 | 0 | 111.9 | E369 Y370 S375 L376 S377 M394 M397 K398 | E369-Y373 WeakPolarHBondContact O-CB 2.91Å; E369-Y373 PolarHBondContact O-N 3.03Å; Y370-Y373 PolarHBondContact O-N 2.77Å; Y373-S375 VanDerWaalsContact C-N 3.32Å; Y373-S375 PolarHBondContact O-N 3.03Å; Y373-L376 PolarHBondContact O-N 2.83Å; Y373-S377 WeakPolarHBondContact O-CB 3.45Å; Y373-S377 PolarHBondContact O-N 3Å; Y373-M394 HydrophobicContact CE2-CB 4.29Å; Y373-M394 HydrophobicContact CE2-CE 4.47Å; Y373-M394 WeakPolarHBondContact CE2-O 3.47Å; Y373-M397 HydrophobicContact CD2-CB 4.16Å; Y373-K398 HydrophobicContact CE2-CB 4.06Å |
| 374 | D | 96.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178.5 | 178.1 | 53.5 | 0 | 0 | 0 | 111.3 | Y370 I372 S377 R378 | Y370-D374 WeakPolarHBondContact O-CB 3.49Å; Y370-D374 PolarHBondContact O-N 3.24Å; I372-D374 PolarHBondContact O-N 3.47Å; D374-S377 PolarHBondContact O-N 2.9Å; D374-S377 PolarHBondContact O-OG 2.83Å; D374-R378 PolarHBondContact O-N 3.14Å; D374-R378 IonicContact OD1-CZ 2.72Å; D374-R378 IonicContact OD1-NH1 2.66Å; D374-R378 PolarHBondContact OD1-NH1 3.29Å; D374-R378 IonicContact OD1-NH2 3.09Å; D374-R378 IonicContact OD2-CZ 3.49Å; D374-R378 IonicContact OD2-NH1 3.63Å; D374-R378 PolarHBondContact OD2-NH1 3.35Å; D374-R378 IonicContact OD2-NH2 3.82Å; D374-R378 PolarHBondContact OD2-NH2 2.91Å |
| 375 | S | 96 | Very high | 94.1 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.3 | -50.2 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | L371 I372 Y373 S377 R378 T379 W659 | L371-S375 VanDerWaalsContact O-CB 3.3Å; L371-S375 WeakPolarHBondContact O-CB 3.17Å; L371-S375 PolarHBondContact O-N 2.99Å; I372-S375 WeakPolarHBondContact O-CB 3.31Å; I372-S375 PolarHBondContact O-N 2.98Å; Y373-S375 VanDerWaalsContact C-N 3.32Å; Y373-S375 PolarHBondContact O-N 3.03Å; S375-S377 PolarHBondContact O-N 3.31Å; S375-R378 PolarHBondContact O-N 3.24Å; S375-T379 PolarHBondContact O-N 3.37Å; S375-W659 PolarHBondContact OG-NE1 3.03Å |
| 376 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 178 | -172.9 | 63 | 0 | 0 | 0 | 112 | I372 Y373 R378 T379 R390 R393 M394 M397 W659 L663 | I372-L376 PolarHBondContact O-N 2.81Å; Y373-L376 PolarHBondContact O-N 2.83Å; L376-R378 VanDerWaalsContact C-N 3.29Å; L376-R378 PolarHBondContact O-N 3.31Å; L376-T379 PolarHBondContact O-N 3.02Å; L376-T379 PolarHBondContact O-OG1 3.4Å; L376-R390 HydrophobicContact CD1-CG 3.67Å; L376-R390 HydrophobicContact CG-CG 3.98Å; L376-R390 PolarHBondContact O-NH1 3.47Å; L376-R393 HydrophobicContact CD2-CB 3.9Å; L376-M394 HydrophobicContact CD2-CG 3.78Å; L376-M394 HydrophobicContact CG-CG 3.97Å; L376-M397 HydrophobicContact CD2-CE 4.45Å; L376-M397 HydrophobicContact CD2-SD 3.59Å; L376-M397 VanDerWaalsContact CD2-SD 3.59Å; L376-W659 HydrophobicContact CB-CD2 4.49Å; L376-W659 HydrophobicContact CB-CH2 4.13Å; L376-W659 HydrophobicContact CB-CZ2 3.65Å; L376-W659 HydrophobicContact CD1-CD2 3.54Å; L376-W659 HydrophobicContact CD1-CE3 3.62Å; L376-W659 HydrophobicContact CD1-CG 4.02Å; L376-W659 HydrophobicContact CD1-CH2 4.17Å; L376-W659 HydrophobicContact CD1-CZ2 4.11Å; L376-W659 HydrophobicContact CD1-CZ3 3.94Å; L376-W659 HydrophobicContact CD2-CH2 4.42Å; L376-W659 HydrophobicContact CG-CH2 4.49Å; L376-W659 HydrophobicContact CG-CZ2 4.38Å; L376-L663 HydrophobicContact CD1-CD1 4.28Å |
| 377 | S | 95.5 | Very high | 93.8 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.6 | -31.5 | -178.3 | 82.7 | 0 | 0 | 0 | 0 | 113.5 | Y373 D374 S375 | Y373-S377 WeakPolarHBondContact O-CB 3.45Å; Y373-S377 PolarHBondContact O-N 3Å; D374-S377 PolarHBondContact O-N 2.9Å; D374-S377 PolarHBondContact O-OG 2.83Å; S375-S377 PolarHBondContact O-N 3.31Å |
| 378 | R | 92 | Very high | 93.6 | Very high | 114 Ų | 114 | 48.9 Ų | 48.9 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -84.5 | -20.5 | 177.4 | -74.5 | -169.8 | -72.2 | -87.7 | -4.3 | 114.1 | D374 S375 L376 | D374-R378 PolarHBondContact O-N 3.14Å; D374-R378 IonicContact OD1-CZ 2.72Å; D374-R378 IonicContact OD1-NH1 2.66Å; D374-R378 PolarHBondContact OD1-NH1 3.29Å; D374-R378 IonicContact OD1-NH2 3.09Å; D374-R378 IonicContact OD2-CZ 3.49Å; D374-R378 IonicContact OD2-NH1 3.63Å; D374-R378 PolarHBondContact OD2-NH1 3.35Å; D374-R378 IonicContact OD2-NH2 3.82Å; D374-R378 PolarHBondContact OD2-NH2 2.91Å; S375-R378 PolarHBondContact O-N 3.24Å; L376-R378 VanDerWaalsContact C-N 3.29Å; L376-R378 PolarHBondContact O-N 3.31Å |
| 379 | T | 90.5 | Very high | 93.6 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | trans | -83.7 | 145.1 | 176.1 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | S375 L376 R390 A655 W659 | S375-T379 PolarHBondContact O-N 3.37Å; L376-T379 PolarHBondContact O-N 3.02Å; L376-T379 PolarHBondContact O-OG1 3.4Å; T379-R390 WeakPolarHBondContact O-CD 3.44Å; T379-R390 VanDerWaalsContact O-CZ 3.31Å; T379-R390 PolarHBondContact O-NE 3.18Å; T379-R390 PolarHBondContact O-NH1 3.2Å; T379-A655 HydrophobicContact CG2-CB 4.01Å; T379-W659 HydrophobicContact CG2-CG 4.42Å | ||
| 380 | G | 89.4 | Confident | 93.5 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | trans | -133.7 | 156.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 381 | S | 89.9 | Confident | 93.4 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | trans | -122.8 | 142.2 | 176.6 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | K383 E387 | S381-K383 VanDerWaalsContact C-N 3.27Å; S381-K383 PolarHBondContact OG-N 3.46Å; S381-E387 PolarHBondContact N-OE2 2.93Å; S381-E387 VanDerWaalsContact N-OE2 3.16Å | ||
| 382 | S | 89 | Confident | 93.2 | Very high | 121 Ų | 121 | 48 Ų | 48 | 85% | 0.846 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -76.7 | -15.8 | 169.9 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | P384 | S382-P384 WeakPolarHBondContact O-CD 3.43Š|
| 383 | K | 91.3 | Very high | 93.1 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 40% | 0.404 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -80.9 | 117.1 | 177.6 | -62 | 171.9 | -172.9 | 162.3 | 0 | 109.2 | S381 V385 I386 E387 D660 | S381-K383 VanDerWaalsContact C-N 3.27Å; S381-K383 PolarHBondContact OG-N 3.46Å; K383-V385 PolarHBondContact O-N 3.35Å; K383-I386 HydrophobicContact CB-CB 4Å; K383-I386 HydrophobicContact CB-CG1 3.81Å; K383-I386 HydrophobicContact CD-CG1 3.88Å; K383-I386 PolarHBondContact O-N 2.93Å; K383-I386 VanDerWaalsContact O-N 3.15Å; K383-E387 PolarHBondContact O-N 3.17Å; K383-D660 IonicContact NZ-OD1 3.77Å; K383-D660 PolarHBondContact NZ-OD1 2.84Å; K383-D660 IonicContact NZ-OD2 2.62Å; K383-D660 PolarHBondContact NZ-OD2 2.79Å |
| 384 | P | 91.3 | Very high | 92.9 | Very high | 108 Ų | 108 | 47.5 Ų | 47.5 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.3 | -40.1 | -172.7 | -27.7 | 35.3 | 0 | 0 | 0 | 115 | S382 E387 S388 | S382-P384 WeakPolarHBondContact O-CD 3.43Å; P384-E387 PolarHBondContact O-N 3.01Å; P384-S388 WeakPolarHBondContact O-CB 3.29Å; P384-S388 PolarHBondContact O-N 3.34Å |
| 385 | V | 90.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 178.8 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | K383 S388 L389 A667 L708 | K383-V385 PolarHBondContact O-N 3.35Å; V385-S388 PolarHBondContact O-N 2.92Å; V385-L389 WeakPolarHBondContact O-CB 3.17Å; V385-L389 PolarHBondContact O-N 2.97Å; V385-A667 HydrophobicContact CG1-CB 4.36Å; V385-L708 HydrophobicContact CG1-CD1 4.31Å; V385-L708 HydrophobicContact CG1-CD2 4.23Å |
| 386 | I | 93.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 178.9 | -59.2 | -55.1 | 0 | 0 | 0 | 110.7 | K383 S388 L389 R390 L663 A667 | K383-I386 HydrophobicContact CB-CB 4Å; K383-I386 HydrophobicContact CB-CG1 3.81Å; K383-I386 HydrophobicContact CD-CG1 3.88Å; K383-I386 PolarHBondContact O-N 2.93Å; K383-I386 VanDerWaalsContact O-N 3.15Å; I386-S388 VanDerWaalsContact C-N 3.34Å; I386-S388 PolarHBondContact O-N 3.32Å; I386-L389 PolarHBondContact O-N 3.13Å; I386-R390 VanDerWaalsContact O-CB 3.3Å; I386-R390 WeakPolarHBondContact O-CB 3.2Å; I386-R390 PolarHBondContact O-N 3.25Å; I386-L663 HydrophobicContact CD1-CB 4.21Å; I386-L663 HydrophobicContact CG2-CB 3.74Å; I386-L663 HydrophobicContact CG2-CD1 3.67Å; I386-L663 HydrophobicContact CG2-CG 4.37Å; I386-A667 HydrophobicContact CD1-CB 4.01Å |
| 387 | E | 94.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 17% | 0.173 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -36.3 | 177 | -179.5 | 55.5 | -156.5 | 0 | 0 | 112.3 | S381 K383 P384 R390 K391 | S381-E387 PolarHBondContact N-OE2 2.93Å; S381-E387 VanDerWaalsContact N-OE2 3.16Å; K383-E387 PolarHBondContact O-N 3.17Å; P384-E387 PolarHBondContact O-N 3.01Å; E387-R390 WeakPolarHBondContact O-CB 3.24Å; E387-R390 IonicContact OE1-CZ 2.7Å; E387-R390 IonicContact OE1-NE 3.73Å; E387-R390 PolarHBondContact OE1-NE 2.62Å; E387-R390 IonicContact OE1-NH2 3.69Å; E387-R390 PolarHBondContact OE1-NH2 3.36Å; E387-R390 IonicContact OE2-CZ 3.9Å; E387-R390 IonicContact OE2-NE 3.44Å; E387-R390 PolarHBondContact OE2-NE 2.86Å; E387-R390 IonicContact OE2-NH2 2.76Å; E387-K391 WeakPolarHBondContact O-CG 3.44Å; E387-K391 PolarHBondContact O-N 3.39Å; E387-K391 VanDerWaalsContact OE1-CE 3.22Å; E387-K391 WeakPolarHBondContact OE1-CE 3.35Å |
| 388 | S | 92.8 | Very high | 92.4 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 172.8 | -169.7 | 0 | 0 | 0 | 0 | 111.2 | P384 V385 I386 R390 K391 E392 | P384-S388 WeakPolarHBondContact O-CB 3.29Å; P384-S388 PolarHBondContact O-N 3.34Å; V385-S388 PolarHBondContact O-N 2.92Å; I386-S388 VanDerWaalsContact C-N 3.34Å; I386-S388 PolarHBondContact O-N 3.32Å; S388-R390 VanDerWaalsContact C-N 3.28Å; S388-R390 PolarHBondContact O-N 2.67Å; S388-K391 PolarHBondContact O-N 3.23Å; S388-K391 VanDerWaalsContact O-N 3.12Å; S388-E392 PolarHBondContact O-N 2.8Å; S388-E392 VanDerWaalsContact O-N 3.08Å |
| 389 | L | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 177 | -177.6 | 60 | 0 | 0 | 0 | 111.8 | V385 I386 K391 E392 R393 L663 L666 A667 L708 V711 S712 | V385-L389 WeakPolarHBondContact O-CB 3.17Å; V385-L389 PolarHBondContact O-N 2.97Å; I386-L389 PolarHBondContact O-N 3.13Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.49Å; L389-E392 PolarHBondContact O-N 3.47Å; L389-R393 HydrophobicContact CD1-CG 4.17Å; L389-R393 HydrophobicContact CG-CG 4.19Å; L389-R393 WeakPolarHBondContact O-CB 3.28Å; L389-R393 VanDerWaalsContact O-CG 3.23Å; L389-R393 WeakPolarHBondContact O-CG 3.43Å; L389-R393 PolarHBondContact O-N 3.44Å; L389-L663 HydrophobicContact CD2-CB 4.41Å; L389-L663 HydrophobicContact CD2-CD2 4.19Å; L389-L663 WeakPolarHBondContact CD2-O 3.46Å; L389-L663 HydrophobicContact CG-CD2 4.1Å; L389-L666 HydrophobicContact CD2-CB 4.02Å; L389-A667 HydrophobicContact CD2-CB 4.07Å; L389-L708 HydrophobicContact CB-CD1 4.41Å; L389-L708 HydrophobicContact CB-CD2 4.33Å; L389-L708 HydrophobicContact CD1-CB 4.12Å; L389-L708 HydrophobicContact CD1-CD2 4.33Å; L389-V711 HydrophobicContact CD1-CG1 4.33Å; L389-S712 WeakPolarHBondContact CD1-OG 3.48Å |
| 390 | R | 95.2 | Very high | 92.6 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 11% | 0.106 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 174.7 | -170.7 | -171.8 | 71.9 | 83.5 | 7.4 | 111.5 | L376 T379 I386 E387 S388 R393 M394 L663 | L376-R390 HydrophobicContact CD1-CG 3.67Å; L376-R390 HydrophobicContact CG-CG 3.98Å; L376-R390 PolarHBondContact O-NH1 3.47Å; T379-R390 WeakPolarHBondContact O-CD 3.44Å; T379-R390 VanDerWaalsContact O-CZ 3.31Å; T379-R390 PolarHBondContact O-NE 3.18Å; T379-R390 PolarHBondContact O-NH1 3.2Å; I386-R390 VanDerWaalsContact O-CB 3.3Å; I386-R390 WeakPolarHBondContact O-CB 3.2Å; I386-R390 PolarHBondContact O-N 3.25Å; E387-R390 WeakPolarHBondContact O-CB 3.24Å; E387-R390 IonicContact OE1-CZ 2.7Å; E387-R390 IonicContact OE1-NE 3.73Å; E387-R390 PolarHBondContact OE1-NE 2.62Å; E387-R390 IonicContact OE1-NH2 3.69Å; E387-R390 PolarHBondContact OE1-NH2 3.36Å; E387-R390 IonicContact OE2-CZ 3.9Å; E387-R390 IonicContact OE2-NE 3.44Å; E387-R390 PolarHBondContact OE2-NE 2.86Å; E387-R390 IonicContact OE2-NH2 2.76Å; S388-R390 VanDerWaalsContact C-N 3.28Å; S388-R390 PolarHBondContact O-N 2.67Å; R390-R393 PolarHBondContact O-N 3.5Å; R390-M394 PolarHBondContact NH1-SD 2.73Å; R390-M394 WeakPolarHBondContact O-CG 3.41Å; R390-M394 PolarHBondContact O-N 2.93Å; R390-L663 HydrophobicContact CB-CD1 3.92Å; R390-L663 HydrophobicContact CG-CD1 4.2Å |
| 391 | K | 94.3 | Very high | 92.9 | Very high | 111 Ų | 111 | 47.4 Ų | 47.4 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 178.7 | -70 | 173.2 | -176.9 | 176.4 | 0 | 111.7 | E387 S388 L389 M394 I395 | E387-K391 WeakPolarHBondContact O-CG 3.44Å; E387-K391 PolarHBondContact O-N 3.39Å; E387-K391 VanDerWaalsContact OE1-CE 3.22Å; E387-K391 WeakPolarHBondContact OE1-CE 3.35Å; S388-K391 PolarHBondContact O-N 3.23Å; S388-K391 VanDerWaalsContact O-N 3.12Å; L389-K391 VanDerWaalsContact C-N 3.33Å; L389-K391 PolarHBondContact O-N 3.49Å; K391-M394 PolarHBondContact O-N 3.35Å; K391-I395 WeakPolarHBondContact O-CG1 3.34Å; K391-I395 PolarHBondContact O-N 2.84Å |
| 392 | E | 92.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 50.5 Ų | 50.5 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.9 | -65.7 | -59.8 | 144.5 | 0 | 0 | 111.7 | S388 L389 M394 I395 S396 L708 T709 S712 | S388-E392 PolarHBondContact O-N 2.8Å; S388-E392 VanDerWaalsContact O-N 3.08Å; L389-E392 PolarHBondContact O-N 3.47Å; E392-M394 PolarHBondContact O-N 3.47Å; E392-I395 PolarHBondContact O-N 3.37Å; E392-S396 PolarHBondContact O-N 3.46Å; E392-L708 HydrophobicContact CG-CB 4.39Å; E392-T709 WeakPolarHBondContact OE2-CB 3.38Å; E392-T709 PolarHBondContact OE2-OG1 3.16Å; E392-S712 WeakPolarHBondContact CB-OG 3.23Å |
| 393 | R | 93.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 175 | -74.8 | -62.8 | -55.6 | 147.6 | 5.9 | 111.6 | L376 L389 R390 I395 S396 M397 L663 S712 D716 | L376-R393 HydrophobicContact CD2-CB 3.9Å; L389-R393 HydrophobicContact CD1-CG 4.17Å; L389-R393 HydrophobicContact CG-CG 4.19Å; L389-R393 WeakPolarHBondContact O-CB 3.28Å; L389-R393 VanDerWaalsContact O-CG 3.23Å; L389-R393 WeakPolarHBondContact O-CG 3.43Å; L389-R393 PolarHBondContact O-N 3.44Å; R390-R393 PolarHBondContact O-N 3.5Å; R393-I395 VanDerWaalsContact C-N 3.34Å; R393-I395 PolarHBondContact O-N 3.02Å; R393-S396 PolarHBondContact O-N 3.25Å; R393-M397 HydrophobicContact CB-SD 4.42Å; R393-M397 VanDerWaalsContact NH2-CG 3.29Å; R393-M397 WeakPolarHBondContact O-CB 3.47Å; R393-M397 WeakPolarHBondContact O-CG 3.29Å; R393-M397 PolarHBondContact O-N 2.95Å; R393-L663 HydrophobicContact CG-CD2 4.06Å; R393-S712 WeakPolarHBondContact CD-OG 3.2Å; R393-S712 PolarHBondContact N-OG 3.29Å; R393-S712 PolarHBondContact NH1-O 3.21Å; R393-D716 IonicContact CZ-OD1 3.99Å; R393-D716 VanDerWaalsContact CZ-OD1 3.23Å; R393-D716 IonicContact CZ-OD2 2.81Å; R393-D716 IonicContact NH1-OD1 2.64Å; R393-D716 PolarHBondContact NH1-OD1 2.86Å; R393-D716 IonicContact NH1-OD2 3.27Å; R393-D716 PolarHBondContact NH1-OD2 3.39Å; R393-D716 IonicContact NH2-OD1 3.97Å; R393-D716 PolarHBondContact NH2-OD1 2.98Å; R393-D716 IonicContact NH2-OD2 3.19Å |
| 394 | M | 94.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 42.4 Ų | 42.4 | 17% | 0.172 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 178.7 | -76.7 | -178.8 | 68.3 | 0 | 0 | 112.3 | Y373 L376 R390 K391 E392 K398 | Y373-M394 HydrophobicContact CE2-CB 4.29Å; Y373-M394 HydrophobicContact CE2-CE 4.47Å; Y373-M394 WeakPolarHBondContact CE2-O 3.47Å; L376-M394 HydrophobicContact CD2-CG 3.78Å; L376-M394 HydrophobicContact CG-CG 3.97Å; R390-M394 PolarHBondContact NH1-SD 2.73Å; R390-M394 WeakPolarHBondContact O-CG 3.41Å; R390-M394 PolarHBondContact O-N 2.93Å; K391-M394 PolarHBondContact O-N 3.35Å; E392-M394 PolarHBondContact O-N 3.47Å; M394-K398 WeakPolarHBondContact O-CB 3.36Å; M394-K398 PolarHBondContact O-N 3.48Å; M394-K398 VanDerWaalsContact O-N 3.14Å |
| 395 | I | 92.3 | Very high | 94 | Very high | 77 Ų | 77 | 40.9 Ų | 40.9 | 40% | 0.395 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.4 | -47.6 | -179.4 | -58.7 | 163.9 | 0 | 0 | 0 | 110.2 | K391 E392 R393 K398 Q399 L701 | K391-I395 WeakPolarHBondContact O-CG1 3.34Å; K391-I395 PolarHBondContact O-N 2.84Å; E392-I395 PolarHBondContact O-N 3.37Å; R393-I395 VanDerWaalsContact C-N 3.34Å; R393-I395 PolarHBondContact O-N 3.02Å; I395-K398 PolarHBondContact O-N 3.05Å; I395-Q399 PolarHBondContact O-N 3.09Å; I395-L701 HydrophobicContact CB-CD1 4.05Å; I395-L701 HydrophobicContact CG2-CD1 3.63Å; I395-L701 HydrophobicContact CG2-CD2 4.09Å; I395-L701 HydrophobicContact CG2-CG 4.12Å |
| 396 | S | 91.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.3 | -37.2 | -177.8 | -155.9 | 0 | 0 | 0 | 0 | 112.9 | E392 R393 K398 Q399 T400 M700 D716 | E392-S396 PolarHBondContact O-N 3.46Å; R393-S396 PolarHBondContact O-N 3.25Å; S396-K398 PolarHBondContact O-N 3.37Å; S396-Q399 PolarHBondContact O-N 3.33Å; S396-T400 PolarHBondContact O-N 2.91Å; S396-T400 PolarHBondContact O-OG1 3.06Å; S396-M700 WeakPolarHBondContact OG-CE 3.49Å; S396-D716 WeakPolarHBondContact CB-OD2 3.44Å; S396-D716 PolarHBondContact OG-OD2 3.24Å |
| 397 | M | 94.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.3 | -76.7 | 172.1 | 65.1 | 0 | 0 | 111.5 | I372 Y373 L376 R393 Q399 T400 L401 D716 | I372-M397 HydrophobicContact CG2-CE 3.77Å; Y373-M397 HydrophobicContact CD2-CB 4.16Å; L376-M397 HydrophobicContact CD2-CE 4.45Å; L376-M397 HydrophobicContact CD2-SD 3.59Å; L376-M397 VanDerWaalsContact CD2-SD 3.59Å; R393-M397 HydrophobicContact CB-SD 4.42Å; R393-M397 VanDerWaalsContact NH2-CG 3.29Å; R393-M397 WeakPolarHBondContact O-CB 3.47Å; R393-M397 WeakPolarHBondContact O-CG 3.29Å; R393-M397 PolarHBondContact O-N 2.95Å; M397-Q399 PolarHBondContact O-N 3.21Å; M397-T400 PolarHBondContact O-N 3.01Å; M397-L401 WeakPolarHBondContact O-CB 3.06Å; M397-L401 PolarHBondContact O-N 2.93Å; M397-D716 PolarHBondContact N-OD2 3.47Å; M397-D716 VanDerWaalsContact N-OD2 3.12Å |
| 398 | K | 94.9 | Very high | 94.8 | Very high | 104 Ų | 104 | 38.4 Ų | 38.4 | 45% | 0.452 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 177.4 | -175.4 | 178.7 | 176.5 | -177.4 | 0 | 111.5 | Y373 M394 I395 S396 T400 L401 E402 | Y373-K398 HydrophobicContact CE2-CB 4.06Å; M394-K398 WeakPolarHBondContact O-CB 3.36Å; M394-K398 PolarHBondContact O-N 3.48Å; M394-K398 VanDerWaalsContact O-N 3.14Å; I395-K398 PolarHBondContact O-N 3.05Å; S396-K398 PolarHBondContact O-N 3.37Å; K398-T400 VanDerWaalsContact C-N 3.28Å; K398-T400 PolarHBondContact O-N 3.3Å; K398-L401 WeakPolarHBondContact O-CB 3.2Å; K398-L401 PolarHBondContact O-N 2.85Å; K398-E402 VanDerWaalsContact CE-OE1 3.29Å; K398-E402 WeakPolarHBondContact CE-OE1 3.36Å; K398-E402 WeakPolarHBondContact O-CG 3.5Å; K398-E402 PolarHBondContact O-N 3.2Å |
| 399 | Q | 92.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 176.6 | -66 | 176.4 | -26.9 | 0 | 0 | 112.1 | I395 S396 M397 R403 Y697 M700 | I395-Q399 PolarHBondContact O-N 3.09Å; S396-Q399 PolarHBondContact O-N 3.33Å; M397-Q399 PolarHBondContact O-N 3.21Å; Q399-R403 PolarHBondContact O-N 2.92Å; Q399-Y697 WeakPolarHBondContact CB-OH 3.29Å; Q399-Y697 PolarHBondContact OE1-OH 3.03Å; Q399-M700 PolarHBondContact OE1-SD 3.44Å |
| 400 | T | 93.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -40.1 | 176.5 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | S396 M397 K398 R403 Y404 D716 Y720 | S396-T400 PolarHBondContact O-N 2.91Å; S396-T400 PolarHBondContact O-OG1 3.06Å; M397-T400 PolarHBondContact O-N 3.01Å; K398-T400 VanDerWaalsContact C-N 3.28Å; K398-T400 PolarHBondContact O-N 3.3Å; T400-R403 WeakPolarHBondContact O-CB 3.25Å; T400-R403 PolarHBondContact O-N 3.26Å; T400-Y404 HydrophobicContact CG2-CD2 4.44Å; T400-Y404 HydrophobicContact CG2-CE1 4.34Å; T400-Y404 HydrophobicContact CG2-CE2 3.71Å; T400-Y404 PolarHBondContact O-N 2.94Å; T400-D716 WeakPolarHBondContact OG1-CB 3.27Å; T400-Y720 HydrophobicContact CG2-CD2 4.44Å |
| 401 | L | 96 | Very high | 95.4 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 175.5 | -171.7 | 69.2 | 0 | 0 | 0 | 111.9 | I366 E369 Y370 M397 K398 R403 Y404 E405 | I366-L401 HydrophobicContact CB-CD1 4.49Å; I366-L401 HydrophobicContact CG2-CD1 4.09Å; E369-L401 HydrophobicContact CB-CD1 3.69Å; Y370-L401 HydrophobicContact CD2-CD2 4.13Å; M397-L401 WeakPolarHBondContact O-CB 3.06Å; M397-L401 PolarHBondContact O-N 2.93Å; K398-L401 WeakPolarHBondContact O-CB 3.2Å; K398-L401 PolarHBondContact O-N 2.85Å; L401-R403 PolarHBondContact O-N 2.99Å; L401-R403 VanDerWaalsContact O-N 3.12Å; L401-Y404 WeakPolarHBondContact O-CB 3.36Å; L401-Y404 PolarHBondContact O-N 3.16Å; L401-E405 WeakPolarHBondContact O-CG 3.15Å; L401-E405 PolarHBondContact O-N 3.02Å |
| 402 | E | 95.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 44% | 0.444 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.3 | -32.4 | 175.8 | -73.3 | 171 | -176.9 | 0 | 0 | 111.7 | K398 A406 | K398-E402 VanDerWaalsContact CE-OE1 3.29Å; K398-E402 WeakPolarHBondContact CE-OE1 3.36Å; K398-E402 WeakPolarHBondContact O-CG 3.5Å; K398-E402 PolarHBondContact O-N 3.2Å; E402-A406 WeakPolarHBondContact O-CB 3.29Å; E402-A406 PolarHBondContact O-N 2.85Å |
| 403 | R | 93.8 | Very high | 95.7 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -76.5 | -37.5 | 175.6 | -172.5 | 167.9 | 51.6 | -161.7 | -9.2 | 113.4 | Q399 T400 L401 E405 A406 N407 Y697 Y720 | Q399-R403 PolarHBondContact O-N 2.92Å; T400-R403 WeakPolarHBondContact O-CB 3.25Å; T400-R403 PolarHBondContact O-N 3.26Å; L401-R403 PolarHBondContact O-N 2.99Å; L401-R403 VanDerWaalsContact O-N 3.12Å; R403-E405 VanDerWaalsContact C-N 3.27Å; R403-A406 PolarHBondContact O-N 3.37Å; R403-N407 PolarHBondContact O-N 3.43Å; R403-N407 PolarHBondContact O-ND2 2.97Å; R403-Y697 VanDerWaalsContact NH2-CD1 3.33Å; R403-Y720 HydrophobicContact CB-CE2 4.42Å; R403-Y720 HydrophobicContact CG-CE2 3.75Å |
| 404 | Y | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 170.6 | -63 | -39.5 | 0 | 0 | 0 | 110.4 | L362 L365 E369 T400 L401 N407 L408 F432 Y720 H723 | L362-Y404 HydrophobicContact CD2-CD1 4.38Å; L365-Y404 HydrophobicContact CD2-CD1 4.05Å; L365-Y404 HydrophobicContact CD2-CD2 4.23Å; L365-Y404 HydrophobicContact CD2-CE1 3.91Å; L365-Y404 HydrophobicContact CD2-CE2 4.1Å; L365-Y404 HydrophobicContact CD2-CG 4.22Å; L365-Y404 HydrophobicContact CG-CD2 4.35Å; L365-Y404 HydrophobicContact CG-CE2 4.3Å; E369-Y404 HydrophobicContact CG-CD2 4.35Å; E369-Y404 HydrophobicContact CG-CE2 3.96Å; T400-Y404 HydrophobicContact CG2-CD2 4.44Å; T400-Y404 HydrophobicContact CG2-CE1 4.34Å; T400-Y404 HydrophobicContact CG2-CE2 3.71Å; T400-Y404 PolarHBondContact O-N 2.94Å; L401-Y404 WeakPolarHBondContact O-CB 3.36Å; L401-Y404 PolarHBondContact O-N 3.16Å; Y404-N407 PolarHBondContact O-N 3.36Å; Y404-L408 PolarHBondContact O-N 3Å; Y404-F432 HydrophobicContact CD1-CE2 4.09Å; Y404-F432 AromaticContact CD1-CZ 3.68Å; Y404-F432 HydrophobicContact CD1-CZ 3.68Å; Y404-F432 HydrophobicContact CE1-CE2 4.38Å; Y404-F432 AromaticContact CE1-CZ 3.69Å; Y404-F432 HydrophobicContact CE1-CZ 3.69Å; Y404-Y720 AromaticContact CD1-CD2 3.82Å; Y404-Y720 HydrophobicContact CD1-CD2 3.82Å; Y404-Y720 AromaticContact CD1-CE2 3.84Å; Y404-Y720 HydrophobicContact CD1-CE2 3.84Å; Y404-Y720 AromaticContact CE1-CD2 3.23Å; Y404-Y720 HydrophobicContact CE1-CD2 3.23Å; Y404-Y720 AromaticContact CE1-CE2 3.72Å; Y404-Y720 HydrophobicContact CE1-CE2 3.72Å; Y404-Y720 HydrophobicContact CE1-CG 4.07Å; Y404-H723 AromaticContact CZ-ND1 3.7Å; Y404-H723 PolarHBondContact OH-ND1 3.08Å |
| 405 | E | 98.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 36% | 0.36 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 175.9 | -67.9 | 174.9 | 165.8 | 0 | 0 | 112.6 | I366 L401 R403 L408 R409 | I366-E405 HydrophobicContact CD1-CG 4.06Å; I366-E405 HydrophobicContact CG1-CG 4.38Å; I366-E405 HydrophobicContact CG2-CG 4.08Å; L401-E405 WeakPolarHBondContact O-CG 3.15Å; L401-E405 PolarHBondContact O-N 3.02Å; R403-E405 VanDerWaalsContact C-N 3.27Å; E405-L408 PolarHBondContact O-N 3.22Å; E405-R409 WeakPolarHBondContact O-CG 3.31Å; E405-R409 PolarHBondContact O-N 3.06Å |
| 406 | A | 97.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 52 Ų | 52 | 24% | 0.24 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E402 R403 R409 N410 | E402-A406 WeakPolarHBondContact O-CB 3.29Å; E402-A406 PolarHBondContact O-N 2.85Å; R403-A406 PolarHBondContact O-N 3.37Å; A406-R409 PolarHBondContact O-N 3.3Å; A406-N410 PolarHBondContact O-N 3.45Å; A406-N410 PolarHBondContact O-ND2 3.05Å |
| 407 | N | 97.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 173.5 | -81.7 | -75.9 | 0 | 0 | 0 | 111.1 | L362 R403 Y404 R409 N410 L411 P428 R429 F432 Y720 | L362-N407 HydrophobicContact CD1-CB 3.94Å; R403-N407 PolarHBondContact O-N 3.43Å; R403-N407 PolarHBondContact O-ND2 2.97Å; Y404-N407 PolarHBondContact O-N 3.36Å; N407-R409 VanDerWaalsContact C-N 3.33Å; N407-R409 PolarHBondContact O-N 3.35Å; N407-N410 WeakPolarHBondContact O-CB 3.41Å; N407-N410 PolarHBondContact O-N 3.02Å; N407-N410 VanDerWaalsContact O-N 3.14Å; N407-L411 WeakPolarHBondContact O-CG 3.45Å; N407-L411 PolarHBondContact O-N 3.3Å; N407-P428 PolarHBondContact OD1-O 3.14Å; N407-R429 PolarHBondContact OD1-O 3.05Å; N407-F432 HydrophobicContact CB-CD2 4.23Å; N407-F432 HydrophobicContact CB-CE2 4.47Å; N407-Y720 PolarHBondContact ND2-OH 2.94Å |
| 408 | L | 98.7 | Very high | 95.5 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 179.8 | 176.7 | 60 | 0 | 0 | 0 | 111.5 | I359 L362 K363 I366 Y404 E405 N410 L411 V412 | I359-L408 HydrophobicContact CB-CD1 4.41Å; I359-L408 HydrophobicContact CG2-CD1 3.94Å; L362-L408 HydrophobicContact CB-CB 4.24Å; L362-L408 HydrophobicContact CB-CD1 4.16Å; L362-L408 HydrophobicContact CD1-CB 4.26Å; K363-L408 HydrophobicContact CG-CD1 4.09Å; K363-L408 HydrophobicContact CG-CD2 3.92Å; I366-L408 HydrophobicContact CD1-CB 3.94Å; I366-L408 HydrophobicContact CD1-CD2 3.69Å; I366-L408 HydrophobicContact CD1-CG 4.46Å; Y404-L408 PolarHBondContact O-N 3Å; E405-L408 PolarHBondContact O-N 3.22Å; L408-N410 PolarHBondContact O-N 2.95Å; L408-L411 PolarHBondContact O-N 3.15Å; L408-V412 HydrophobicContact CD1-CG2 3.98Å; L408-V412 HydrophobicContact CG-CG2 4.44Å; L408-V412 WeakPolarHBondContact O-CG2 3.31Å; L408-V412 PolarHBondContact O-N 3.43Å |
| 409 | R | 98.4 | Very high | 95.6 | Very high | 156 Ų | 156 | 51.9 Ų | 51.9 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58 | -48.8 | 175.3 | -73.9 | -176.4 | -71.2 | 137.5 | -7.4 | 111.8 | E405 A406 N407 L411 V412 D413 | E405-R409 WeakPolarHBondContact O-CG 3.31Å; E405-R409 PolarHBondContact O-N 3.06Å; A406-R409 PolarHBondContact O-N 3.3Å; N407-R409 VanDerWaalsContact C-N 3.33Å; N407-R409 PolarHBondContact O-N 3.35Å; R409-L411 PolarHBondContact O-N 3.12Å; R409-V412 PolarHBondContact O-N 3.48Å; R409-D413 WeakPolarHBondContact O-CB 3.22Å; R409-D413 PolarHBondContact O-N 3.35Å |
| 410 | N | 97.9 | Very high | 95.8 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.4 | -33.9 | 178.3 | -65.6 | -41.6 | 0 | 0 | 0 | 113.1 | A406 N407 L408 Y414 R429 | A406-N410 PolarHBondContact O-N 3.45Å; A406-N410 PolarHBondContact O-ND2 3.05Å; N407-N410 WeakPolarHBondContact O-CB 3.41Å; N407-N410 PolarHBondContact O-N 3.02Å; N407-N410 VanDerWaalsContact O-N 3.14Å; L408-N410 PolarHBondContact O-N 2.95Å; N410-Y414 PolarHBondContact O-N 3Å; N410-R429 HydrophobicContact CB-CB 4.13Å |
| 411 | L | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -78.3 | -37.9 | 178.9 | -62 | -167.2 | 0 | 0 | 0 | 112.7 | Y355 P358 I359 L362 N407 L408 R409 D413 Y414 Y430 V433 | Y355-L411 HydrophobicContact CD1-CD2 4.07Å; Y355-L411 HydrophobicContact CE1-CD2 4.25Å; P358-L411 HydrophobicContact CB-CD1 3.62Å; I359-L411 HydrophobicContact CD1-CB 4.2Å; I359-L411 HydrophobicContact CG1-CB 3.65Å; I359-L411 HydrophobicContact CG1-CD1 4.34Å; L362-L411 HydrophobicContact CD1-CD1 3.79Å; N407-L411 WeakPolarHBondContact O-CG 3.45Å; N407-L411 PolarHBondContact O-N 3.3Å; L408-L411 PolarHBondContact O-N 3.15Å; R409-L411 PolarHBondContact O-N 3.12Å; L411-D413 VanDerWaalsContact C-N 3.33Å; L411-Y414 WeakPolarHBondContact O-CB 3.3Å; L411-Y414 PolarHBondContact O-N 3.36Å; L411-Y430 HydrophobicContact CD2-CD1 3.73Å; L411-Y430 HydrophobicContact CD2-CE1 4.41Å; L411-V433 HydrophobicContact CD1-CG2 3.97Å; L411-V433 HydrophobicContact CD2-CG2 3.47Å; L411-V433 VanDerWaalsContact CD2-CG2 3.47Å; L411-V433 HydrophobicContact CG-CG2 4.39Å |
| 412 | V | 97.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | I359 L408 R409 Y414 | I359-V412 HydrophobicContact CD1-CG2 4.42Å; I359-V412 HydrophobicContact CG1-CG2 4.41Å; I359-V412 HydrophobicContact CG2-CG2 4.14Å; L408-V412 HydrophobicContact CD1-CG2 3.98Å; L408-V412 HydrophobicContact CG-CG2 4.44Å; L408-V412 WeakPolarHBondContact O-CG2 3.31Å; L408-V412 PolarHBondContact O-N 3.43Å; R409-V412 PolarHBondContact O-N 3.48Å; V412-Y414 VanDerWaalsContact C-N 3.26Å; V412-Y414 PolarHBondContact O-N 3.09Å |
| 413 | D | 94.8 | Very high | 95.6 | Very high | 123 Ų | 123 | 49.6 Ų | 49.6 | 66% | 0.658 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.2 | 179.8 | -62.4 | -22.9 | 0 | 0 | 0 | 113.3 | R409 L411 S415 | R409-D413 WeakPolarHBondContact O-CB 3.22Å; R409-D413 PolarHBondContact O-N 3.35Å; L411-D413 VanDerWaalsContact C-N 3.33Å; D413-S415 PolarHBondContact O-N 3.44Å |
| 414 | Y | 94.7 | Very high | 95.5 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | trans | -72.5 | 126.5 | -176.2 | -176.3 | -95.5 | 0 | 0 | 0 | 111.9 | Y355 N410 L411 V412 G416 P417 Y430 | Y355-Y414 AromaticContact CD1-CD1 3.75Å; Y355-Y414 HydrophobicContact CD1-CD1 3.75Å; Y355-Y414 HydrophobicContact CD1-CE1 4.22Å; Y355-Y414 HydrophobicContact CD1-CG 4.02Å; Y355-Y414 HydrophobicContact CD2-CD1 4.37Å; Y355-Y414 HydrophobicContact CD2-CE1 4.24Å; Y355-Y414 AromaticContact CE1-CD1 3.53Å; Y355-Y414 HydrophobicContact CE1-CD1 3.53Å; Y355-Y414 AromaticContact CE1-CD2 3.96Å; Y355-Y414 HydrophobicContact CE1-CD2 3.96Å; Y355-Y414 AromaticContact CE1-CE1 3.68Å; Y355-Y414 HydrophobicContact CE1-CE1 3.68Å; Y355-Y414 HydrophobicContact CE1-CE2 4.09Å; Y355-Y414 AromaticContact CE1-CG 3.68Å; Y355-Y414 HydrophobicContact CE1-CG 3.68Å; Y355-Y414 AromaticContact CE1-CZ 3.95Å; Y355-Y414 HydrophobicContact CE2-CD1 4.19Å; Y355-Y414 AromaticContact CE2-CE1 3.71Å; Y355-Y414 HydrophobicContact CE2-CE1 3.71Å; Y355-Y414 HydrophobicContact CG-CD1 4.18Å; Y355-Y414 HydrophobicContact CG-CE1 4.49Å; Y355-Y414 AromaticContact CZ-CD1 3.78Å; Y355-Y414 AromaticContact CZ-CE1 3.39Å; Y355-Y414 AromaticContact CZ-CZ 3.54Å; Y355-Y414 VanDerWaalsContact OH-CZ 3.24Å; Y355-Y414 PolarHBondContact OH-OH 2.99Å; N410-Y414 PolarHBondContact O-N 3Å; L411-Y414 WeakPolarHBondContact O-CB 3.3Å; L411-Y414 PolarHBondContact O-N 3.36Å; V412-Y414 VanDerWaalsContact C-N 3.26Å; V412-Y414 PolarHBondContact O-N 3.09Å; Y414-G416 VanDerWaalsContact CE1-C 3.45Å; Y414-G416 VanDerWaalsContact CE1-CA 3.48Å; Y414-G416 VanDerWaalsContact CE1-N 3.31Å; Y414-G416 VanDerWaalsContact CZ-CA 3.45Å; Y414-G416 WeakPolarHBondContact OH-CA 3.3Å; Y414-P417 VanDerWaalsContact CE1-O 3.25Å; Y414-P417 WeakPolarHBondContact CE1-O 3.26Å; Y414-P417 VanDerWaalsContact OH-CD 3.3Å; Y414-P417 WeakPolarHBondContact OH-CD 3.45Å; Y414-P417 PolarHBondContact OH-O 3.28Å; Y414-P417 VanDerWaalsContact OH-O 3.05Å; Y414-Y430 AromaticContact CD2-CE1 3.76Å; Y414-Y430 HydrophobicContact CD2-CE1 3.76Å; Y414-Y430 AromaticContact CD2-CZ 3.83Å; Y414-Y430 HydrophobicContact CE2-CE1 4.29Å | ||
| 415 | S | 91.3 | Very high | 95.3 | Very high | 124 Ų | 124 | 53.3 Ų | 53.3 | 87% | 0.867 | 30% | 0.297 | S | S | * | . | trans | -126.1 | 21.8 | -177.9 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | D413 | D413-S415 PolarHBondContact O-N 3.44Š| ||
| 416 | G | 90.7 | Very high | 95 | Very high | 36 Ų | 36 | 52 Ų | 52 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -93.3 | -166.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y414 | Y414-G416 VanDerWaalsContact CE1-C 3.45Å; Y414-G416 VanDerWaalsContact CE1-CA 3.48Å; Y414-G416 VanDerWaalsContact CE1-N 3.31Å; Y414-G416 VanDerWaalsContact CZ-CA 3.45Å; Y414-G416 WeakPolarHBondContact OH-CA 3.3Å |
| 417 | P | 92.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | trans | -61.3 | 155.4 | 176.3 | 28 | -37.2 | 0 | 0 | 0 | 112.5 | Y414 F419 | Y414-P417 VanDerWaalsContact CE1-O 3.25Å; Y414-P417 WeakPolarHBondContact CE1-O 3.26Å; Y414-P417 VanDerWaalsContact OH-CD 3.3Å; Y414-P417 WeakPolarHBondContact OH-CD 3.45Å; Y414-P417 PolarHBondContact OH-O 3.28Å; Y414-P417 VanDerWaalsContact OH-O 3.05Å; P417-F419 HydrophobicContact CB-CD1 3.74Å; P417-F419 HydrophobicContact CB-CE1 3.56Å; P417-F419 HydrophobicContact CB-CZ 4.49Å; P417-F419 HydrophobicContact CG-CD1 4.22Å; P417-F419 HydrophobicContact CG-CE1 3.87Å; P417-F419 HydrophobicContact CG-CZ 4.36Å; P417-F419 PolarHBondContact O-N 3.48Å | ||
| 418 | L | 94.5 | Very high | 94.7 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -79 | 35.8 | -177.9 | -62.6 | -172.5 | 0 | 0 | 0 | 113.1 | D325 E350 K352 C354 | D325-L418 HydrophobicContact CB-CD1 3.56Å; D325-L418 WeakPolarHBondContact OD2-CD1 3.21Å; E350-L418 HydrophobicContact CB-CB 4.03Å; E350-L418 PolarHBondContact OE2-N 3.23Å; E350-L418 VanDerWaalsContact OE2-N 3.08Å; K352-L418 HydrophobicContact CG-CD1 4.42Å; C354-L418 VanDerWaalsContact CB-O 3.26Å; C354-L418 WeakPolarHBondContact CB-O 3.39Å |
| 419 | F | 96.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -149.3 | 145.7 | 168.6 | 75 | -80.8 | 0 | 0 | 0 | 110.8 | E350 P417 S421 N436 H438 K1014 | E350-F419 HydrophobicContact CG-CD1 3.92Å; P417-F419 HydrophobicContact CB-CD1 3.74Å; P417-F419 HydrophobicContact CB-CE1 3.56Å; P417-F419 HydrophobicContact CB-CZ 4.49Å; P417-F419 HydrophobicContact CG-CD1 4.22Å; P417-F419 HydrophobicContact CG-CE1 3.87Å; P417-F419 HydrophobicContact CG-CZ 4.36Å; P417-F419 PolarHBondContact O-N 3.48Å; F419-S421 PolarHBondContact O-N 3.27Å; F419-N436 WeakPolarHBondContact CD2-OD1 3.33Å; F419-N436 WeakPolarHBondContact CE2-OD1 3.49Å; F419-H438 AromaticContact CD1-CE1 3.87Å; F419-H438 AromaticContact CD2-NE2 3.95Å; F419-H438 AromaticContact CG-CE1 3.6Å; F419-H438 AromaticContact CG-NE2 3.97Å; F419-K1014 HydrophobicContact CE1-CD 4.21Å; F419-K1014 HydrophobicContact CZ-CB 3.99Å; F419-K1014 HydrophobicContact CZ-CD 4.43Å |
| 420 | K | 97 | Very high | 94.5 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -79.5 | 116.5 | 170.4 | 177 | -176 | -177.7 | -176.6 | 0 | 110.1 | E424 R425 Y430 V433 T435 N436 | K420-E424 WeakPolarHBondContact CE-O 3.5Å; K420-E424 HydrophobicContact CG-CB 4.03Å; K420-R425 PolarHBondContact NZ-O 3.32Å; K420-Y430 PolarHBondContact NZ-O 2.65Å; K420-V433 HydrophobicContact CB-CB 4.45Å; K420-V433 HydrophobicContact CB-CG1 3.72Å; K420-V433 HydrophobicContact CD-CB 4.21Å; K420-V433 HydrophobicContact CD-CG1 4.36Å; K420-V433 WeakPolarHBondContact CD-O 3.35Å; K420-T435 CarbonylContact O-C 3.53Å; K420-T435 WeakPolarHBondContact O-CA 3.48Å; K420-T435 WeakPolarHBondContact O-CG2 3.49Å; K420-N436 PolarHBondContact O-N 3.27Å |
| 421 | S | 95 | Very high | 94.5 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | trans | -67.2 | 163 | -179.8 | 72.7 | 0 | 0 | 0 | 0 | 113.3 | F419 S423 E424 R425 N1015 | F419-S421 PolarHBondContact O-N 3.27Å; S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 2.83Å; S421-S423 PolarHBondContact OG-OG 2.85Å; S421-E424 PolarHBondContact O-N 2.84Å; S421-E424 VanDerWaalsContact O-N 3.13Å; S421-E424 WeakPolarHBondContact OG-CG 3.48Å; S421-R425 PolarHBondContact O-N 3.47Å; S421-N1015 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 422 | S | 93.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -65.9 | -29.7 | -178.5 | 68 | 0 | 0 | 0 | 0 | 113.2 | E424 R425 N1015 S1048 | S422-E424 VanDerWaalsContact C-N 3.3Å; S422-R425 WeakPolarHBondContact O-CB 3.31Å; S422-R425 PolarHBondContact O-N 2.99Å; S422-N1015 WeakPolarHBondContact CB-OD1 3.46Å; S422-N1015 PolarHBondContact N-OD1 3.5Å; S422-N1015 PolarHBondContact OG-OD1 3.05Å; S422-S1048 PolarHBondContact OG-OXT 3.06Å |
| 423 | S | 91.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 49 Ų | 49 | 58% | 0.58 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -32.1 | 174.4 | 57.5 | 0 | 0 | 0 | 0 | 112 | S421 R425 | S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 2.83Å; S421-S423 PolarHBondContact OG-OG 2.85Å; S423-R425 VanDerWaalsContact C-N 3.34Å |
| 424 | E | 93.7 | Very high | 94.7 | Very high | 67 Ų | 67 | 43.1 Ų | 43.1 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.9 | 179.4 | -65 | -63.3 | 143.1 | 0 | 0 | 113 | K420 S421 S422 A426 N427 Y430 | K420-E424 WeakPolarHBondContact CE-O 3.5Å; K420-E424 HydrophobicContact CG-CB 4.03Å; S421-E424 PolarHBondContact O-N 2.84Å; S421-E424 VanDerWaalsContact O-N 3.13Å; S421-E424 WeakPolarHBondContact OG-CG 3.48Å; S422-E424 VanDerWaalsContact C-N 3.3Å; E424-A426 PolarHBondContact O-N 3.07Å; E424-A426 VanDerWaalsContact O-N 3.13Å; E424-N427 HydrophobicContact CB-CB 4.47Å; E424-N427 VanDerWaalsContact O-CB 3.23Å; E424-N427 WeakPolarHBondContact O-CB 3.32Å; E424-N427 PolarHBondContact O-N 3.02Å; E424-N427 VanDerWaalsContact OE2-CB 3.29Å; E424-N427 WeakPolarHBondContact OE2-CB 3.29Å; E424-N427 PolarHBondContact OE2-ND2 3.14Å; E424-Y430 HydrophobicContact CB-CD2 4.4Å |
| 425 | R | 93.2 | Very high | 94.9 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -45.4 | -175.9 | -173.8 | -171.6 | 65 | -117.9 | -9.8 | 112.7 | K420 S421 S422 S423 T435 A466 K967 | K420-R425 PolarHBondContact NZ-O 3.32Å; S421-R425 PolarHBondContact O-N 3.47Å; S422-R425 WeakPolarHBondContact O-CB 3.31Å; S422-R425 PolarHBondContact O-N 2.99Å; S423-R425 VanDerWaalsContact C-N 3.34Å; R425-T435 HydrophobicContact CB-CG2 4.29Å; R425-T435 HydrophobicContact CG-CG2 4.42Å; R425-A466 HydrophobicContact CG-CB 3.89Å; R425-K967 WeakPolarHBondContact CD-O 3.3Å; R425-K967 VanDerWaalsContact CZ-CE 3.42Å; R425-K967 VanDerWaalsContact NH2-CE 3.32Å |
| 426 | A | 92.5 | Very high | 95.2 | Very high | 49 Ų | 49 | 34.8 Ų | 34.8 | 41% | 0.405 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E424 P428 S467 | E424-A426 PolarHBondContact O-N 3.07Å; E424-A426 VanDerWaalsContact O-N 3.13Å; A426-P428 VanDerWaalsContact O-CD 3.31Å; A426-P428 WeakPolarHBondContact O-CD 3.41Å; A426-S467 WeakPolarHBondContact O-CA 3.38Å; A426-S467 VanDerWaalsContact O-CB 3.22Å; A426-S467 WeakPolarHBondContact O-CB 3.39Å |
| 427 | N | 94.5 | Very high | 95.5 | Very high | 36 Ų | 36 | 33 Ų | 33 | 19% | 0.193 | 18% | 0.18 | C | C | . | . | trans | -74.1 | 116.8 | 176.4 | -173.5 | -18.4 | 0 | 0 | 0 | 110 | E424 R429 Y430 | E424-N427 HydrophobicContact CB-CB 4.47Å; E424-N427 VanDerWaalsContact O-CB 3.23Å; E424-N427 WeakPolarHBondContact O-CB 3.32Å; E424-N427 PolarHBondContact O-N 3.02Å; E424-N427 VanDerWaalsContact OE2-CB 3.29Å; E424-N427 WeakPolarHBondContact OE2-CB 3.29Å; E424-N427 PolarHBondContact OE2-ND2 3.14Å; N427-R429 PolarHBondContact O-N 2.75Å; N427-R429 VanDerWaalsContact O-N 3.16Å; N427-R429 WeakPolarHBondContact OD1-CB 3.21Å; N427-R429 WeakPolarHBondContact OD1-CG 3.49Å; N427-R429 PolarHBondContact OD1-N 2.97Å; N427-Y430 HydrophobicContact CB-CD2 4.14Å; N427-Y430 PolarHBondContact O-N 3.07Å | ||
| 428 | P | 94 | Very high | 95.8 | Very high | 77 Ų | 77 | 30.2 Ų | 30.2 | 50% | 0.5 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -65.1 | -17.1 | -178.2 | 27.2 | -35.7 | 0 | 0 | 0 | 113.9 | N407 A426 Y430 D431 | N407-P428 PolarHBondContact OD1-O 3.14Å; A426-P428 VanDerWaalsContact O-CD 3.31Å; A426-P428 WeakPolarHBondContact O-CD 3.41Å; P428-Y430 PolarHBondContact O-N 3.34Å; P428-D431 WeakPolarHBondContact CA-OD1 3.49Å |
| 429 | R | 95.5 | Very high | 95.9 | Very high | 139 Ų | 139 | 28.2 Ų | 28.2 | 53% | 0.525 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -66.1 | -22.5 | 176.5 | -64.3 | -175.5 | -178.9 | 167.5 | -0.5 | 113.4 | N407 N410 N427 | N407-R429 PolarHBondContact OD1-O 3.05Å; N410-R429 HydrophobicContact CB-CB 4.13Å; N427-R429 PolarHBondContact O-N 2.75Å; N427-R429 VanDerWaalsContact O-N 3.16Å; N427-R429 WeakPolarHBondContact OD1-CB 3.21Å; N427-R429 WeakPolarHBondContact OD1-CG 3.49Å; N427-R429 PolarHBondContact OD1-N 2.97Å |
| 430 | Y | 96.6 | Very high | 96 | Very high | 36 Ų | 36 | 28 Ų | 28 | 14% | 0.141 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -123.1 | 31.5 | -173.5 | -50 | -52.2 | 0 | 0 | 0 | 111 | L411 Y414 K420 E424 N427 P428 F432 V433 | L411-Y430 HydrophobicContact CD2-CD1 3.73Å; L411-Y430 HydrophobicContact CD2-CE1 4.41Å; Y414-Y430 AromaticContact CD2-CE1 3.76Å; Y414-Y430 HydrophobicContact CD2-CE1 3.76Å; Y414-Y430 AromaticContact CD2-CZ 3.83Å; Y414-Y430 HydrophobicContact CE2-CE1 4.29Å; K420-Y430 PolarHBondContact NZ-O 2.65Å; E424-Y430 HydrophobicContact CB-CD2 4.4Å; N427-Y430 HydrophobicContact CB-CD2 4.14Å; N427-Y430 PolarHBondContact O-N 3.07Å; P428-Y430 PolarHBondContact O-N 3.34Å; Y430-F432 PolarHBondContact O-N 3.21Å; Y430-V433 PolarHBondContact O-N 3.49Å; Y430-V433 VanDerWaalsContact O-N 3.16Å |
| 431 | D | 97.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -28.3 | -176.9 | -84 | -19.4 | 0 | 0 | 0 | 113 | P428 L465 S467 Y720 Q728 | P428-D431 WeakPolarHBondContact CA-OD1 3.49Å; D431-L465 HydrophobicContact CB-CD1 3.72Å; D431-L465 VanDerWaalsContact OD1-CD1 3.31Å; D431-L465 WeakPolarHBondContact OD1-CD1 3.25Å; D431-L465 WeakPolarHBondContact OD2-CD1 3.46Å; D431-S467 VanDerWaalsContact OD1-CB 3.3Å; D431-S467 WeakPolarHBondContact OD1-CB 3.3Å; D431-S467 PolarHBondContact OD1-OG 2.61Å; D431-S467 PolarHBondContact OD2-OG 3.25Å; D431-Y720 HydrophobicContact CB-CE1 4.15Å; D431-Y720 WeakPolarHBondContact CB-OH 3.28Å; D431-Y720 WeakPolarHBondContact OD2-CE1 3.33Å; D431-Y720 PolarHBondContact OD2-OH 2.97Å; D431-Q728 PolarHBondContact O-NE2 3.36Å |
| 432 | F | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.3 | -178.7 | -72.8 | -99.4 | 0 | 0 | 0 | 113.8 | P358 Y361 L362 L365 Y404 N407 Y430 Y720 H723 A724 C727 | P358-F432 HydrophobicContact CB-CB 4.22Å; Y361-F432 HydrophobicContact CD1-CD1 4.22Å; Y361-F432 HydrophobicContact CD1-CE1 4.38Å; Y361-F432 HydrophobicContact CE1-CD1 4.32Å; Y361-F432 HydrophobicContact CE1-CE1 4.13Å; L362-F432 HydrophobicContact CD1-CB 4.4Å; L362-F432 HydrophobicContact CD1-CD2 4.3Å; L362-F432 HydrophobicContact CD1-CG 4.21Å; L362-F432 HydrophobicContact CD2-CD1 3.84Å; L362-F432 HydrophobicContact CD2-CD2 3.95Å; L362-F432 HydrophobicContact CD2-CE1 3.71Å; L362-F432 HydrophobicContact CD2-CE2 3.83Å; L362-F432 HydrophobicContact CD2-CG 3.98Å; L362-F432 HydrophobicContact CD2-CZ 3.71Å; L362-F432 HydrophobicContact CG-CD1 4.2Å; L362-F432 HydrophobicContact CG-CG 4.2Å; L365-F432 HydrophobicContact CD2-CE1 4.19Å; L365-F432 HydrophobicContact CD2-CZ 4.41Å; Y404-F432 HydrophobicContact CD1-CE2 4.09Å; Y404-F432 AromaticContact CD1-CZ 3.68Å; Y404-F432 HydrophobicContact CD1-CZ 3.68Å; Y404-F432 HydrophobicContact CE1-CE2 4.38Å; Y404-F432 AromaticContact CE1-CZ 3.69Å; Y404-F432 HydrophobicContact CE1-CZ 3.69Å; N407-F432 HydrophobicContact CB-CD2 4.23Å; N407-F432 HydrophobicContact CB-CE2 4.47Å; Y430-F432 PolarHBondContact O-N 3.21Å; F432-Y720 HydrophobicContact CE2-CE1 4.47Å; F432-Y720 AromaticContact CE2-CE2 3.97Å; F432-Y720 HydrophobicContact CE2-CE2 3.97Å; F432-Y720 AromaticContact CE2-CZ 3.88Å; F432-Y720 HydrophobicContact CZ-CE2 4.36Å; F432-H723 HydrophobicContact CE1-CB 3.97Å; F432-H723 HydrophobicContact CZ-CB 4.33Å; F432-A724 HydrophobicContact CE1-CB 4.37Å; F432-A724 HydrophobicContact CE2-CB 4.45Å; F432-A724 HydrophobicContact CZ-CB 4.32Å; F432-C727 HydrophobicContact CB-CB 4.47Å; F432-C727 HydrophobicContact CD1-CB 3.72Å; F432-C727 PolarHBondContact O-SG 3.48Å; F432-C727 VanDerWaalsContact O-SG 3.4Å |
| 433 | V | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -96.9 | 127.8 | -174.6 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | Y355 P358 L411 K420 Y430 | Y355-V433 HydrophobicContact CD1-CG1 4.38Å; Y355-V433 HydrophobicContact CD1-CG2 3.94Å; Y355-V433 HydrophobicContact CD2-CG1 4.44Å; Y355-V433 HydrophobicContact CE1-CG1 4Å; Y355-V433 HydrophobicContact CE1-CG2 3.9Å; Y355-V433 HydrophobicContact CE2-CG1 4.05Å; P358-V433 HydrophobicContact CB-CG2 4.42Å; P358-V433 HydrophobicContact CG-CG2 4.37Å; L411-V433 HydrophobicContact CD1-CG2 3.97Å; L411-V433 HydrophobicContact CD2-CG2 3.47Å; L411-V433 VanDerWaalsContact CD2-CG2 3.47Å; L411-V433 HydrophobicContact CG-CG2 4.39Å; K420-V433 HydrophobicContact CB-CB 4.45Å; K420-V433 HydrophobicContact CB-CG1 3.72Å; K420-V433 HydrophobicContact CD-CB 4.21Å; K420-V433 HydrophobicContact CD-CG1 4.36Å; K420-V433 WeakPolarHBondContact CD-O 3.35Å; Y430-V433 PolarHBondContact O-N 3.49Å; Y430-V433 VanDerWaalsContact O-N 3.16Å |
| 434 | P | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 139.5 | 176.8 | 26.9 | -32.8 | 0 | 0 | 0 | 111.5 | L437 V460 Q728 T731 | P434-L437 HydrophobicContact CB-CB 4.25Å; P434-L437 HydrophobicContact CG-CB 4Å; P434-L437 HydrophobicContact CG-CD2 3.69Å; P434-L437 HydrophobicContact CG-CG 4.43Å; P434-V460 HydrophobicContact CB-CG2 3.58Å; P434-Q728 HydrophobicContact CB-CB 4.24Å; P434-T731 HydrophobicContact CG-CG2 3.86Å |
| 435 | T | 98.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 21 Ų | 21 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 131.4 | -179.9 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | K420 R425 L437 G461 | K420-T435 CarbonylContact O-C 3.53Å; K420-T435 WeakPolarHBondContact O-CA 3.48Å; K420-T435 WeakPolarHBondContact O-CG2 3.49Å; R425-T435 HydrophobicContact CB-CG2 4.29Å; R425-T435 HydrophobicContact CG-CG2 4.42Å; T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 3.36Å; T435-G461 PolarHBondContact O-N 2.97Å |
| 436 | N | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 47.7 | 176.8 | -75.9 | -37.5 | 0 | 0 | 0 | 113.7 | F419 K420 H438 S968 A969 N1015 | F419-N436 WeakPolarHBondContact CD2-OD1 3.33Å; F419-N436 WeakPolarHBondContact CE2-OD1 3.49Å; K420-N436 PolarHBondContact O-N 3.27Å; N436-H438 PolarHBondContact O-CD2 3.29Å; N436-H438 VanDerWaalsContact O-CD2 3.25Å; N436-H438 PolarHBondContact O-N 3.02Å; N436-S968 WeakPolarHBondContact CB-O 3.31Å; N436-S968 PolarHBondContact ND2-O 3.43Å; N436-A969 HydrophobicContact CB-CB 3.88Å; N436-N1015 PolarHBondContact ND2-ND2 3.44Å; N436-N1015 PolarHBondContact ND2-OD1 2.66Å; N436-N1015 PolarHBondContact OD1-ND2 3.48Å; N436-N1015 PolarHBondContact OD1-OD1 2.88Å; N436-N1015 VanDerWaalsContact OD1-OD1 3.13Å |
| 437 | L | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -75.5 | 108.7 | 175 | 176.7 | 61.1 | 0 | 0 | 0 | 110.3 | C354 P434 T435 I458 S459 V460 T731 | C354-L437 HydrophobicContact CB-CD2 4.41Å; P434-L437 HydrophobicContact CB-CB 4.25Å; P434-L437 HydrophobicContact CG-CB 4Å; P434-L437 HydrophobicContact CG-CD2 3.69Å; P434-L437 HydrophobicContact CG-CG 4.43Å; T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 3.36Å; L437-I458 HydrophobicContact CD1-CG2 3.54Å; L437-S459 WeakPolarHBondContact CA-O 3.23Å; L437-V460 HydrophobicContact CB-CG2 4.09Å; L437-V460 HydrophobicContact CD1-CB 3.89Å; L437-V460 HydrophobicContact CD1-CG2 4.01Å; L437-T731 HydrophobicContact CD2-CG2 3.79Å | ||
| 438 | H | 98.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 145.8 | 177.8 | -55.3 | -72.2 | 0 | 0 | 0 | 112 | M348 G349 F419 N436 N440 S459 N1011 | M348-H438 HydrophobicContact CG-CB 4.03Å; G349-H438 CarbonylContact O-C 3.5Å; G349-H438 WeakPolarHBondContact O-CA 3.45Å; G349-H438 WeakPolarHBondContact O-CB 3.27Å; F419-H438 AromaticContact CD1-CE1 3.87Å; F419-H438 AromaticContact CD2-NE2 3.95Å; F419-H438 AromaticContact CG-CE1 3.6Å; F419-H438 AromaticContact CG-NE2 3.97Å; N436-H438 PolarHBondContact O-CD2 3.29Å; N436-H438 VanDerWaalsContact O-CD2 3.25Å; N436-H438 PolarHBondContact O-N 3.02Å; H438-N440 PolarHBondContact O-ND2 3.39Å; H438-S459 PolarHBondContact N-O 2.85Å; H438-S459 PolarHBondContact O-N 3.3Å; H438-S459 PolarHBondContact O-OG 3.44Å; H438-N1011 PolarHBondContact NE2-OD1 3.11Å |
| 439 | V | 97 | Very high | 92.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.2 | 165.2 | -176.7 | 0 | 0 | 0 | 0 | 107.3 | L320 C324 M348 G349 I458 T735 V739 | L320-V439 HydrophobicContact CD2-CG1 3.79Å; C324-V439 WeakPolarHBondContact SG-CG2 3.29Å; M348-V439 CarbonylContact C-O 3.55Å; M348-V439 VanDerWaalsContact CA-O 3.27Å; M348-V439 WeakPolarHBondContact CA-O 3.29Å; G349-V439 PolarHBondContact N-O 2.63Å; G349-V439 PolarHBondContact O-N 3.29Å; V439-I458 HydrophobicContact CB-CD1 4.12Å; V439-I458 HydrophobicContact CG1-CD1 4.05Å; V439-I458 HydrophobicContact CG2-CD1 3.72Å; V439-T735 HydrophobicContact CG2-CG2 3.6Å; V439-V739 HydrophobicContact CG1-CG1 4.26Å; V439-V739 HydrophobicContact CG1-CG2 3.98Å; V439-V739 HydrophobicContact CG2-CG2 3.92Å |
| 440 | N | 97 | Very high | 92.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.9 | 174.4 | -44.5 | -99.2 | 0 | 0 | 0 | 107 | F347 H438 N456 I457 S459 V977 R1008 | F347-N440 WeakPolarHBondContact O-CA 3.37Å; H438-N440 PolarHBondContact O-ND2 3.39Å; N440-N456 WeakPolarHBondContact O-CA 3.31Å; N440-I457 WeakPolarHBondContact CB-O 3.48Å; N440-I457 PolarHBondContact N-O 2.92Å; N440-I457 PolarHBondContact ND2-O 2.97Å; N440-I457 PolarHBondContact O-N 3.39Å; N440-S459 WeakPolarHBondContact ND2-CB 3.39Å; N440-S459 PolarHBondContact ND2-N 3.36Å; N440-S459 PolarHBondContact ND2-OG 2.72Å; N440-V977 HydrophobicContact CB-CG1 3.85Å; N440-R1008 VanDerWaalsContact OD1-CD 3.31Å; N440-R1008 WeakPolarHBondContact OD1-CD 3.45Å; N440-R1008 PolarHBondContact OD1-NH1 3.47Å |
| 441 | Q | 94.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.8 | 176.3 | -174.4 | -174.6 | 102.4 | 0 | 0 | 109.7 | L320 E346 F347 H455 N456 | L320-Q441 HydrophobicContact CD1-CB 4.34Å; E346-Q441 CarbonylContact C-O 3.52Å; E346-Q441 WeakPolarHBondContact CA-O 3.39Å; F347-Q441 HydrophobicContact CB-CB 4.24Å; F347-Q441 HydrophobicContact CD2-CB 4.42Å; F347-Q441 PolarHBondContact N-O 2.84Å; F347-Q441 PolarHBondContact O-N 3.3Å; Q441-H455 VanDerWaalsContact CA-O 3.28Å; Q441-H455 WeakPolarHBondContact CA-O 3.04Å; Q441-H455 WeakPolarHBondContact CG-O 2.92Å; Q441-N456 WeakPolarHBondContact CB-OD1 3.3Å; Q441-N456 VanDerWaalsContact CG-OD1 3.22Å; Q441-N456 WeakPolarHBondContact CG-OD1 3.41Å; Q441-N456 PolarHBondContact NE2-OD1 3.42Å |
| 442 | I | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.6 | 163.6 | -167.5 | 157.8 | 0 | 0 | 0 | 108.8 | I344 I345 S454 H455 Q981 W984 L985 I1002 | I344-I442 HydrophobicContact CG2-CD1 3.85Å; I344-I442 HydrophobicContact CG2-CG1 3.68Å; I345-I442 WeakPolarHBondContact O-CA 3.4Å; I442-S454 CarbonylContact O-C 3.33Å; I442-S454 VanDerWaalsContact O-CA 3.22Å; I442-S454 WeakPolarHBondContact O-CA 3.43Å; I442-S454 WeakPolarHBondContact O-CB 3.43Å; I442-H455 HydrophobicContact CG2-CB 4.12Å; I442-H455 PolarHBondContact N-O 3.07Å; I442-H455 PolarHBondContact O-N 3.39Å; I442-Q981 HydrophobicContact CB-CB 4.26Å; I442-Q981 HydrophobicContact CB-CG 3.92Å; I442-Q981 HydrophobicContact CD1-CB 3.8Å; I442-Q981 HydrophobicContact CD1-CG 4.27Å; I442-Q981 HydrophobicContact CG2-CB 3.96Å; I442-Q981 HydrophobicContact CG2-CG 3.78Å; I442-W984 HydrophobicContact CG2-CD2 4.28Å; I442-W984 HydrophobicContact CG2-CE3 3.51Å; I442-W984 HydrophobicContact CG2-CZ3 3.91Å; I442-L985 HydrophobicContact CD1-CD1 3.64Å; I442-L985 HydrophobicContact CD1-CD2 4.1Å; I442-L985 HydrophobicContact CD1-CG 3.85Å; I442-L985 HydrophobicContact CG1-CD2 4.24Å; I442-L985 HydrophobicContact CG1-CG 4.47Å; I442-I1002 HydrophobicContact CD1-CD1 4.17Å |
| 443 | A | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 149 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I344 I345 F347 L451 S453 | I344-A443 VanDerWaalsContact CA-O 3.3Å; I344-A443 WeakPolarHBondContact CA-O 3.35Å; I345-A443 PolarHBondContact N-O 2.84Å; I345-A443 PolarHBondContact O-N 2.83Å; F347-A443 HydrophobicContact CE2-CB 4.4Å; A443-L451 HydrophobicContact CB-CD2 3.44Å; A443-L451 VanDerWaalsContact CB-CD2 3.44Å; A443-S453 CarbonylContact C-O 3.54Å; A443-S453 VanDerWaalsContact CA-O 3.26Å; A443-S453 WeakPolarHBondContact CA-O 3.29Å; A443-S453 WeakPolarHBondContact CB-O 3.45Å |
| 444 | L | 92.4 | Very high | 89.8 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 11% | 0.105 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 145.2 | 169.1 | -65.8 | -176.4 | 0 | 0 | 0 | 110.4 | M342 I344 L451 V452 S453 W984 L985 E988 | M342-L444 HydrophobicContact CE-CD1 3.82Å; M342-L444 HydrophobicContact CE-CD2 3.77Å; M342-L444 HydrophobicContact CE-CG 4.49Å; I344-L444 HydrophobicContact CD1-CD2 4.43Å; I344-L444 HydrophobicContact CG1-CD2 3.56Å; L444-L451 CarbonylContact O-C 3.56Å; L444-L451 WeakPolarHBondContact O-CA 3.42Å; L444-V452 HydrophobicContact CB-CB 4.49Å; L444-V452 PolarHBondContact O-N 3.16Å; L444-S453 PolarHBondContact N-O 3.42Å; L444-W984 HydrophobicContact CD1-CH2 4.5Å; L444-W984 HydrophobicContact CG-CH2 3.98Å; L444-W984 HydrophobicContact CG-CZ3 4.17Å; L444-L985 HydrophobicContact CD2-CD2 3.9Å; L444-E988 HydrophobicContact CD1-CB 3.57Å; L444-E988 HydrophobicContact CD1-CG 4Å |
| 445 | T | 87.6 | Confident | 89.5 | Confident | 14 Ų | 14 | 22.4 Ų | 22.4 | 9% | 0.086 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 150.8 | 175.2 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | H343 I345 Q450 L451 | H343-T445 VanDerWaalsContact CB-OG1 3.27Å; H343-T445 WeakPolarHBondContact CB-OG1 3.45Å; H343-T445 PolarHBondContact O-N 3.14Å; H343-T445 PolarHBondContact O-OG1 3.36Å; I345-T445 HydrophobicContact CD1-CG2 3.63Å; I345-T445 HydrophobicContact CG1-CG2 3.92Å; T445-Q450 CarbonylContact C-O 3.55Å; T445-Q450 WeakPolarHBondContact CA-O 3.3Å; T445-Q450 WeakPolarHBondContact CB-O 3.36Å; T445-L451 HydrophobicContact CG2-CD2 3.8Å; T445-L451 HydrophobicContact CG2-CG 4.46Å |
| 446 | D | 85.8 | Confident | 89.3 | Confident | 57 Ų | 57 | 22.9 Ų | 22.9 | 31% | 0.305 | 13% | 0.133 | S | C | . | . | trans | -78.1 | -169.5 | 172.9 | 70.6 | 10.9 | 0 | 0 | 0 | 112.2 | R301 D448 G449 Q450 V452 | R301-D446 PolarHBondContact NH1-O 3.49Å; R301-D446 PolarHBondContact NH2-O 3.34Å; D446-D448 VanDerWaalsContact C-N 3.27Å; D446-D448 PolarHBondContact O-N 3.13Å; D446-D448 WeakPolarHBondContact OD1-CA 3.45Å; D446-D448 PolarHBondContact OD1-N 2.82Å; D446-G449 PolarHBondContact O-N 3.35Å; D446-G449 PolarHBondContact OD1-N 2.81Å; D446-Q450 PolarHBondContact N-O 3.44Å; D446-Q450 PolarHBondContact OD1-N 3.22Å; D446-Q450 WeakPolarHBondContact OD2-CB 3.4Å; D446-V452 HydrophobicContact CB-CG2 3.98Å | ||
| 447 | V | 79.4 | Confident | 89.2 | Confident | 111 Ų | 111 | 23 Ų | 23 | 67% | 0.673 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.6 | 178.7 | -65.4 | 0 | 0 | 0 | 0 | 114.7 | R301 | R301-V447 VanDerWaalsContact CZ-C 3.42Å; R301-V447 PolarHBondContact NE-O 3.34Å; R301-V447 VanDerWaalsContact NH2-CA 3.31Å; R301-V447 PolarHBondContact NH2-O 3.33Å |
| 448 | D | 75.5 | Confident | 89.2 | Confident | 65 Ų | 65 | 23.2 Ų | 23.2 | 35% | 0.348 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -6.3 | 174.3 | -78.2 | -69.6 | 0 | 0 | 0 | 112.7 | Q303 K304 D446 Q450 | Q303-D448 PolarHBondContact OE1-O 3.2Å; K304-D448 IonicContact NZ-OD1 3.89Å; K304-D448 PolarHBondContact NZ-OD1 2.91Å; D446-D448 VanDerWaalsContact C-N 3.27Å; D446-D448 PolarHBondContact O-N 3.13Å; D446-D448 WeakPolarHBondContact OD1-CA 3.45Å; D446-D448 PolarHBondContact OD1-N 2.82Å; D448-Q450 HydrophobicContact CB-CG 4.28Å |
| 449 | G | 76.5 | Confident | 89.3 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 5% | 0.052 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 91.2 | 6.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R301 D446 | R301-G449 VanDerWaalsContact NH2-N 3.12Å; D446-G449 PolarHBondContact O-N 3.35Å; D446-G449 PolarHBondContact OD1-N 2.81Å |
| 450 | Q | 80.1 | Confident | 89.3 | Confident | 28 Ų | 28 | 23 Ų | 23 | 13% | 0.131 | 13% | 0.133 | C | C | . | . | trans | -77.7 | 143.1 | 177.5 | -51.6 | -57.4 | -51.8 | 0 | 0 | 109.6 | P305 T445 D446 D448 | P305-Q450 PolarHBondContact O-NE2 2.66Å; T445-Q450 CarbonylContact C-O 3.55Å; T445-Q450 WeakPolarHBondContact CA-O 3.3Å; T445-Q450 WeakPolarHBondContact CB-O 3.36Å; D446-Q450 PolarHBondContact N-O 3.44Å; D446-Q450 PolarHBondContact OD1-N 3.22Å; D446-Q450 WeakPolarHBondContact OD2-CB 3.4Å; D448-Q450 HydrophobicContact CB-CG 4.28Å | ||
| 451 | L | 79.2 | Confident | 89.4 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 138 | -177.4 | -67.7 | 165.2 | 0 | 0 | 0 | 110.8 | L306 V313 M317 F347 A443 L444 T445 | L306-L451 HydrophobicContact CD2-CD1 4.39Å; L306-L451 HydrophobicContact CD2-CG 4.19Å; V313-L451 WeakPolarHBondContact CG1-O 3.27Å; M317-L451 HydrophobicContact CB-CD1 4.17Å; M317-L451 HydrophobicContact CE-CD1 4Å; M317-L451 HydrophobicContact CG-CD1 3.14Å; M317-L451 HydrophobicContact SD-CD1 4.38Å; F347-L451 HydrophobicContact CE2-CD2 4.44Å; A443-L451 HydrophobicContact CB-CD2 3.44Å; A443-L451 VanDerWaalsContact CB-CD2 3.44Å; L444-L451 CarbonylContact O-C 3.56Å; L444-L451 WeakPolarHBondContact O-CA 3.42Å; T445-L451 HydrophobicContact CG2-CD2 3.8Å; T445-L451 HydrophobicContact CG2-CG 4.46Å |
| 452 | V | 84.6 | Confident | 89.6 | Confident | 94 Ų | 94 | 23.2 Ų | 23.2 | 57% | 0.57 | 14% | 0.135 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -53.4 | 178.2 | 178.8 | 0 | 0 | 0 | 0 | 110 | L444 D446 | L444-V452 HydrophobicContact CB-CB 4.49Å; L444-V452 PolarHBondContact O-N 3.16Å; D446-V452 HydrophobicContact CB-CG2 3.98Å |
| 453 | S | 87.7 | Confident | 89.7 | Confident | 23 Ų | 23 | 23.2 Ų | 23.2 | 16% | 0.161 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.6 | -179.8 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | A443 L444 W984 E988 | A443-S453 CarbonylContact C-O 3.54Å; A443-S453 VanDerWaalsContact CA-O 3.26Å; A443-S453 WeakPolarHBondContact CA-O 3.29Å; A443-S453 WeakPolarHBondContact CB-O 3.45Å; L444-S453 PolarHBondContact N-O 3.42Å; S453-W984 WeakPolarHBondContact OG-CH2 3.3Å; S453-W984 WeakPolarHBondContact OG-CZ2 3.29Å; S453-E988 WeakPolarHBondContact CB-OE2 3.27Å; S453-E988 PolarHBondContact OG-OE2 3.4Å |
| 454 | S | 90.5 | Very high | 90 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 13% | 0.133 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 151.2 | 178.2 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | I442 R743 | I442-S454 CarbonylContact O-C 3.33Å; I442-S454 VanDerWaalsContact O-CA 3.22Å; I442-S454 WeakPolarHBondContact O-CA 3.43Å; I442-S454 WeakPolarHBondContact O-CB 3.43Å; S454-R743 PolarHBondContact O-NH1 2.86Å; S454-R743 PolarHBondContact OG-NH1 3.39Å; S454-R743 PolarHBondContact OG-NH2 2.88Å |
| 455 | H | 92.5 | Very high | 90.1 | Very high | 18 Ų | 18 | 22.6 Ų | 22.6 | 8% | 0.083 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.7 | 177.4 | -176.4 | 52.2 | 0 | 0 | 0 | 111.5 | Q441 I442 E980 W984 | Q441-H455 VanDerWaalsContact CA-O 3.28Å; Q441-H455 WeakPolarHBondContact CA-O 3.04Å; Q441-H455 WeakPolarHBondContact CG-O 2.92Å; I442-H455 HydrophobicContact CG2-CB 4.12Å; I442-H455 PolarHBondContact N-O 3.07Å; I442-H455 PolarHBondContact O-N 3.39Å; H455-E980 IonicContact CD2-OE1 3.75Å; H455-E980 IonicContact CE1-OE1 3.83Å; H455-E980 IonicContact NE2-OE1 3.02Å; H455-E980 PolarHBondContact NE2-OE1 2.73Å; H455-W984 HydrophobicContact CB-CB 4.29Å; H455-W984 HydrophobicContact CB-CD2 3.53Å; H455-W984 HydrophobicContact CB-CE3 4.18Å; H455-W984 HydrophobicContact CB-CG 3.54Å; H455-W984 HydrophobicContact CB-CZ2 4.3Å; H455-W984 AromaticContact CG-CD1 3.88Å; H455-W984 AromaticContact CG-CG 3.9Å |
| 456 | N | 94 | Very high | 90.1 | Very high | 16 Ų | 16 | 22.4 Ų | 22.4 | 9% | 0.086 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.5 | -177.3 | -65.4 | -48.6 | 0 | 0 | 0 | 111.6 | N440 Q441 V739 R743 | N440-N456 WeakPolarHBondContact O-CA 3.31Å; Q441-N456 WeakPolarHBondContact CB-OD1 3.3Å; Q441-N456 VanDerWaalsContact CG-OD1 3.22Å; Q441-N456 WeakPolarHBondContact CG-OD1 3.41Å; Q441-N456 PolarHBondContact NE2-OD1 3.42Å; N456-V739 HydrophobicContact CB-CG1 4.24Å; N456-V739 VanDerWaalsContact ND2-CG1 3.29Å; N456-V739 WeakPolarHBondContact ND2-CG1 3.45Å; N456-R743 PolarHBondContact ND2-NE 3.1Å; N456-R743 PolarHBondContact ND2-NH1 2.88Å |
| 457 | I | 97 | Very high | 90.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 120.6 | 175.8 | -52.9 | 158.5 | 0 | 0 | 0 | 108.4 | N440 T964 V977 E980 Q981 | N440-I457 WeakPolarHBondContact CB-O 3.48Å; N440-I457 PolarHBondContact N-O 2.92Å; N440-I457 PolarHBondContact ND2-O 2.97Å; N440-I457 PolarHBondContact O-N 3.39Å; I457-T964 WeakPolarHBondContact CG2-OG1 3.46Å; I457-V977 HydrophobicContact CD1-CG1 4.16Å; I457-V977 HydrophobicContact CG2-CG2 4.02Å; I457-E980 HydrophobicContact CD1-CB 3.82Å; I457-E980 HydrophobicContact CD1-CG 3.79Å; I457-E980 HydrophobicContact CG1-CG 4.35Å; I457-E980 WeakPolarHBondContact CG1-OE1 3.44Å; I457-Q981 HydrophobicContact CD1-CG 3.91Å |
| 458 | I | 98.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.9 | 171.7 | -55.5 | -49.5 | 0 | 0 | 0 | 108.6 | L437 V439 T735 A736 R962 I963 T964 | L437-I458 HydrophobicContact CD1-CG2 3.54Å; V439-I458 HydrophobicContact CB-CD1 4.12Å; V439-I458 HydrophobicContact CG1-CD1 4.05Å; V439-I458 HydrophobicContact CG2-CD1 3.72Å; I458-T735 HydrophobicContact CD1-CG2 4.26Å; I458-A736 HydrophobicContact CD1-CB 4.45Å; I458-A736 HydrophobicContact CG1-CB 3.61Å; I458-R962 PolarHBondContact N-O 3.09Å; I458-I963 HydrophobicContact CB-CG1 4.12Å; I458-I963 HydrophobicContact CB-CG2 4.42Å; I458-I963 HydrophobicContact CG2-CG2 4.42Å; I458-I963 CarbonylContact O-C 3.54Å; I458-I963 WeakPolarHBondContact O-CA 3.47Å; I458-T964 PolarHBondContact O-N 3.32Å |
| 459 | S | 98.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.2 | 170.6 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | L437 H438 N440 R1008 | L437-S459 WeakPolarHBondContact CA-O 3.23Å; H438-S459 PolarHBondContact N-O 2.85Å; H438-S459 PolarHBondContact O-N 3.3Å; H438-S459 PolarHBondContact O-OG 3.44Å; N440-S459 WeakPolarHBondContact ND2-CB 3.39Å; N440-S459 PolarHBondContact ND2-N 3.36Å; N440-S459 PolarHBondContact ND2-OG 2.72Å; S459-R1008 PolarHBondContact OG-NH1 3.31Å |
| 460 | V | 98.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 148.6 | 177.9 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | P434 L437 F463 I963 T964 T965 A969 | P434-V460 HydrophobicContact CB-CG2 3.58Å; L437-V460 HydrophobicContact CB-CG2 4.09Å; L437-V460 HydrophobicContact CD1-CB 3.89Å; L437-V460 HydrophobicContact CD1-CG2 4.01Å; V460-F463 HydrophobicContact CG1-CE1 3.58Å; V460-F463 HydrophobicContact CG1-CZ 3.73Å; V460-F463 HydrophobicContact CG2-CE1 4.11Å; V460-I963 HydrophobicContact CG1-CG2 3.68Å; V460-T964 PolarHBondContact N-O 3.39Å; V460-T964 VanDerWaalsContact N-O 3.09Å; V460-T965 HydrophobicContact CG1-CG2 3.72Å; V460-T965 WeakPolarHBondContact O-CA 3.35Å; V460-T965 WeakPolarHBondContact O-CB 3.44Å; V460-A969 WeakPolarHBondContact O-CB 3.43Å |
| 461 | G | 98.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 160.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T435 F463 C966 A969 | T435-G461 PolarHBondContact O-N 2.97Å; G461-F463 PolarHBondContact O-N 2.92Å; G461-C966 CarbonylContact C-O 3.45Å; G461-C966 WeakPolarHBondContact CA-O 3.41Å; G461-A969 VanDerWaalsContact N-CB 3.26Å |
| 462 | A | 97.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | trans | -56.4 | 128.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S464 L765 M774 C966 | A462-S464 VanDerWaalsContact C-N 3.33Å; A462-S464 PolarHBondContact O-N 3.49Å; A462-S464 PolarHBondContact O-OG 3.47Å; A462-L765 HydrophobicContact CB-CD1 3.82Å; A462-L765 HydrophobicContact CB-CD2 4.18Å; A462-L765 HydrophobicContact CB-CG 4.47Å; A462-M774 HydrophobicContact CB-CB 4.47Å; A462-C966 PolarHBondContact N-O 3.29Å | ||
| 463 | F | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -63.8 | 92.1 | 173.7 | -43.9 | -50.4 | 0 | 0 | 0 | 109.1 | V460 G461 Q728 L729 S732 F761 D777 W778 A781 I782 I963 T965 | V460-F463 HydrophobicContact CG1-CE1 3.58Å; V460-F463 HydrophobicContact CG1-CZ 3.73Å; V460-F463 HydrophobicContact CG2-CE1 4.11Å; G461-F463 PolarHBondContact O-N 2.92Å; F463-Q728 VanDerWaalsContact CA-OE1 3.28Å; F463-Q728 HydrophobicContact CB-CB 4.47Å; F463-Q728 HydrophobicContact CD1-CB 4.02Å; F463-L729 HydrophobicContact CD1-CB 4.34Å; F463-L729 HydrophobicContact CD2-CB 4.08Å; F463-L729 HydrophobicContact CD2-CD1 3.8Å; F463-L729 HydrophobicContact CE2-CB 4.37Å; F463-L729 HydrophobicContact CE2-CD1 3.42Å; F463-L729 VanDerWaalsContact CE2-CD1 3.42Å; F463-L729 HydrophobicContact CE2-CG 4.5Å; F463-L729 HydrophobicContact CG-CB 4.06Å; F463-L729 HydrophobicContact CZ-CD1 3.91Å; F463-S732 WeakPolarHBondContact CE1-OG 3.44Å; F463-F761 AromaticContact CE2-CD1 3.79Å; F463-F761 HydrophobicContact CE2-CD1 3.79Å; F463-F761 AromaticContact CE2-CE1 3.84Å; F463-F761 HydrophobicContact CE2-CE1 3.84Å; F463-F761 HydrophobicContact CZ-CD1 4.24Å; F463-F761 HydrophobicContact CZ-CE1 4.13Å; F463-D777 CarbonylContact O-C 3.54Å; F463-D777 WeakPolarHBondContact O-CB 3.35Å; F463-W778 AromaticContact CD2-CD1 3.44Å; F463-W778 VanDerWaalsContact CD2-CD1 3.44Å; F463-W778 HydrophobicContact CD2-CG 4.33Å; F463-W778 AromaticContact CD2-NE1 3.85Å; F463-W778 AromaticContact CE2-CD1 3.93Å; F463-W778 AromaticContact CE2-NE1 3.84Å; F463-W778 WeakPolarHBondContact O-CA 3.48Å; F463-W778 PolarHBondContact O-N 3.38Å; F463-A781 HydrophobicContact CB-CB 4.44Å; F463-I782 HydrophobicContact CD2-CD1 4.26Å; F463-I782 HydrophobicContact CD2-CG1 4.12Å; F463-I782 HydrophobicContact CE2-CD1 4.15Å; F463-I782 HydrophobicContact CE2-CG1 4.08Å; F463-I963 HydrophobicContact CZ-CG2 4.35Å; F463-T965 HydrophobicContact CE2-CG2 4.45Å; F463-T965 HydrophobicContact CZ-CG2 4.25Å |
| 464 | S | 96.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 5% | 0.049 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -158.9 | 156.8 | -166.3 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | A462 A466 Y470 Q728 | A462-S464 VanDerWaalsContact C-N 3.33Å; A462-S464 PolarHBondContact O-N 3.49Å; A462-S464 PolarHBondContact O-OG 3.47Å; S464-A466 PolarHBondContact O-N 2.73Å; S464-Y470 VanDerWaalsContact CB-OH 3.28Å; S464-Y470 WeakPolarHBondContact CB-OH 3.41Å; S464-Y470 PolarHBondContact OG-OH 3.34Å; S464-Q728 PolarHBondContact O-NE2 2.96Å; S464-Q728 PolarHBondContact O-OE1 2.9Å |
| 465 | L | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | trans | -99.9 | 70.8 | 178.6 | -169.6 | 62 | 0 | 0 | 0 | 111.8 | D431 S467 R468 Y720 R721 A724 D777 | D431-L465 HydrophobicContact CB-CD1 3.72Å; D431-L465 VanDerWaalsContact OD1-CD1 3.31Å; D431-L465 WeakPolarHBondContact OD1-CD1 3.25Å; D431-L465 WeakPolarHBondContact OD2-CD1 3.46Å; L465-S467 WeakPolarHBondContact CD1-OG 3.42Å; L465-S467 PolarHBondContact O-N 2.82Å; L465-R468 HydrophobicContact CD2-CB 4.31Å; L465-R468 VanDerWaalsContact CD2-CD 3.47Å; L465-R468 HydrophobicContact CD2-CG 3.77Å; L465-R468 HydrophobicContact CG-CB 4.28Å; L465-R468 HydrophobicContact CG-CG 3.93Å; L465-R468 PolarHBondContact O-N 3.34Å; L465-Y720 HydrophobicContact CD1-CE1 3.94Å; L465-Y720 HydrophobicContact CD2-CD1 3.73Å; L465-Y720 HydrophobicContact CD2-CE1 3.9Å; L465-R721 HydrophobicContact CB-CG 3.95Å; L465-R721 HydrophobicContact CD2-CB 3.9Å; L465-R721 HydrophobicContact CD2-CG 4.07Å; L465-A724 HydrophobicContact CD1-CB 4.19Å; L465-D777 PolarHBondContact N-OD2 3.37Å | ||
| 466 | A | 88.6 | Confident | 93 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 8% | 0.083 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -63.1 | -24.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R425 S464 R468 H469 Y470 M774 | R425-A466 HydrophobicContact CG-CB 3.89Å; S464-A466 PolarHBondContact O-N 2.73Å; A466-R468 PolarHBondContact O-N 3.37Å; A466-H469 PolarHBondContact O-N 2.98Å; A466-Y470 WeakPolarHBondContact CA-OH 3.37Å; A466-Y470 PolarHBondContact N-OH 2.9Å; A466-M774 HydrophobicContact CB-CE 4.07Å |
| 467 | S | 85 | Confident | 93.1 | Very high | 26 Ų | 26 | 23 Ų | 23 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -63.6 | -18.3 | 177.6 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | A426 D431 L465 | A426-S467 WeakPolarHBondContact O-CA 3.38Å; A426-S467 VanDerWaalsContact O-CB 3.22Å; A426-S467 WeakPolarHBondContact O-CB 3.39Å; D431-S467 VanDerWaalsContact OD1-CB 3.3Å; D431-S467 WeakPolarHBondContact OD1-CB 3.3Å; D431-S467 PolarHBondContact OD1-OG 2.61Å; D431-S467 PolarHBondContact OD2-OG 3.25Å; L465-S467 WeakPolarHBondContact CD1-OG 3.42Å; L465-S467 PolarHBondContact O-N 2.82Å |
| 468 | R | 81.3 | Confident | 92.9 | Very high | 46 Ų | 46 | 23.1 Ų | 23.1 | 17% | 0.174 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -107.3 | 5 | -176.1 | -63.2 | -158.4 | -171.4 | 179.7 | 12.6 | 114.7 | L465 A466 | L465-R468 HydrophobicContact CD2-CB 4.31Å; L465-R468 VanDerWaalsContact CD2-CD 3.47Å; L465-R468 HydrophobicContact CD2-CG 3.77Å; L465-R468 HydrophobicContact CG-CB 4.28Å; L465-R468 HydrophobicContact CG-CG 3.93Å; L465-R468 PolarHBondContact O-N 3.34Å; A466-R468 PolarHBondContact O-N 3.37Å |
| 469 | H | 80.8 | Confident | 92.8 | Very high | 106 Ų | 106 | 22.9 Ų | 22.9 | 49% | 0.491 | 11% | 0.109 | S | C | . | . | trans | 51.9 | -167.6 | -170.9 | -55.3 | -80.7 | 0 | 0 | 0 | 111.4 | A466 R721 | A466-H469 PolarHBondContact O-N 2.98Å; H469-R721 PolarHBondContact O-NH2 2.7Å | ||
| 470 | Y | 90.4 | Very high | 92.5 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 8% | 0.082 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -131.2 | 38.3 | -173.3 | -57.9 | -84.3 | 0 | 0 | 0 | 111.5 | S464 A466 S472 G473 D770 G773 M774 | S464-Y470 VanDerWaalsContact CB-OH 3.28Å; S464-Y470 WeakPolarHBondContact CB-OH 3.41Å; S464-Y470 PolarHBondContact OG-OH 3.34Å; A466-Y470 WeakPolarHBondContact CA-OH 3.37Å; A466-Y470 PolarHBondContact N-OH 2.9Å; Y470-S472 VanDerWaalsContact C-N 3.32Å; Y470-S472 PolarHBondContact O-N 3.1Å; Y470-G473 PolarHBondContact O-N 3.19Å; Y470-D770 HydrophobicContact CD2-CB 3.58Å; Y470-D770 VanDerWaalsContact CD2-O 3.31Å; Y470-D770 WeakPolarHBondContact CD2-O 3.5Å; Y470-D770 HydrophobicContact CE2-CB 4.11Å; Y470-G773 VanDerWaalsContact CD1-CA 3.47Å; Y470-G773 VanDerWaalsContact CE1-C 3.47Å; Y470-M774 HydrophobicContact CE1-CG 3.94Å; Y470-M774 HydrophobicContact CE2-CE 3.95Å; Y470-M774 HydrophobicContact CE2-CG 3.72Å; Y470-M774 WeakPolarHBondContact OH-CE 3.2Å; Y470-M774 WeakPolarHBondContact OH-CG 3.42Å |
| 471 | K | 86.8 | Confident | 92.1 | Very high | 164 Ų | 164 | 26.6 Ų | 26.6 | 71% | 0.713 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -40 | 178.2 | -69.1 | -174.9 | 179.8 | 180 | 0 | 111.9 | G473 R694 | K471-G473 VanDerWaalsContact C-N 3.29Å; K471-R694 HydrophobicContact CB-CB 4.27Å; K471-R694 HydrophobicContact CB-CG 4.42Å; K471-R694 WeakPolarHBondContact O-CD 3.46Å |
| 472 | S | 85.9 | Confident | 91.7 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 11.9 | 172.4 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | Y470 R477 E691 S695 | Y470-S472 VanDerWaalsContact C-N 3.32Å; Y470-S472 PolarHBondContact O-N 3.1Å; S472-R477 WeakPolarHBondContact O-CG 3.48Å; S472-E691 WeakPolarHBondContact CB-OE1 3.33Å; S472-S695 VanDerWaalsContact CB-OG 3.28Å; S472-S695 WeakPolarHBondContact CB-OG 3.14Å; S472-S695 PolarHBondContact OG-OG 2.84Å |
| 473 | G | 92.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 13% | 0.134 | 13% | 0.129 | C | C | . | . | trans | 67.5 | -161.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y470 K471 | Y470-G473 PolarHBondContact O-N 3.19Å; K471-G473 VanDerWaalsContact C-N 3.29Å | ||
| 474 | G | 96 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -100.2 | -170.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F476 R477 M478 G773 E776 D777 | G474-F476 VanDerWaalsContact C-N 3.32Å; G474-F476 PolarHBondContact O-N 2.96Å; G474-R477 PolarHBondContact O-N 3.36Å; G474-M478 WeakPolarHBondContact O-CG 3.46Å; G474-M478 PolarHBondContact O-N 3.15Å; G474-G773 WeakPolarHBondContact CA-O 3.4Å; G474-E776 PolarHBondContact N-OE2 2.85Å; G474-D777 WeakPolarHBondContact CA-OD1 3.39Å |
| 475 | L | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54 | -42 | -173.1 | -72.1 | 167.5 | 0 | 0 | 0 | 113.9 | R477 M478 A479 F718 R721 H722 C725 D777 W780 | L475-R477 PolarHBondContact O-N 3.4Å; L475-M478 PolarHBondContact O-N 3.03Å; L475-A479 VanDerWaalsContact O-CB 3.31Å; L475-A479 WeakPolarHBondContact O-CB 3.35Å; L475-A479 PolarHBondContact O-N 3.49Å; L475-F718 HydrophobicContact CB-CE2 4.47Å; L475-F718 HydrophobicContact CD2-CD1 4.46Å; L475-F718 HydrophobicContact CD2-CD2 4Å; L475-F718 HydrophobicContact CD2-CE1 4.27Å; L475-F718 HydrophobicContact CD2-CE2 3.78Å; L475-F718 HydrophobicContact CD2-CG 4.33Å; L475-F718 HydrophobicContact CD2-CZ 3.92Å; L475-F718 WeakPolarHBondContact O-CE2 3.46Å; L475-R721 HydrophobicContact CD1-CG 4.38Å; L475-R721 HydrophobicContact CD2-CB 3.98Å; L475-R721 HydrophobicContact CD2-CG 3.83Å; L475-R721 HydrophobicContact CG-CG 3.92Å; L475-H722 HydrophobicContact CD2-CB 4.2Å; L475-C725 HydrophobicContact CD1-CB 4.25Å; L475-D777 WeakPolarHBondContact CG-OD1 3.49Å; L475-D777 PolarHBondContact N-OD1 3.05Å; L475-W780 HydrophobicContact CB-CB 3.75Å; L475-W780 HydrophobicContact CB-CD2 3.72Å; L475-W780 HydrophobicContact CB-CE3 4.06Å; L475-W780 HydrophobicContact CB-CG 3.56Å; L475-W780 HydrophobicContact CD1-CB 4.07Å; L475-W780 HydrophobicContact CD1-CG 3.75Å; L475-W780 HydrophobicContact CG-CG 4.26Å |
| 476 | F | 97.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.7 | -87.2 | -56.8 | 0 | 0 | 0 | 113.1 | G474 F480 Y490 L495 I500 E776 A779 W780 | G474-F476 VanDerWaalsContact C-N 3.32Å; G474-F476 PolarHBondContact O-N 2.96Å; F476-F480 VanDerWaalsContact O-CB 3.28Å; F476-F480 WeakPolarHBondContact O-CB 3.07Å; F476-F480 PolarHBondContact O-N 3.09Å; F476-Y490 HydrophobicContact CB-CE2 4.47Å; F476-L495 HydrophobicContact CB-CD2 4.15Å; F476-L495 HydrophobicContact CD1-CD2 3.85Å; F476-L495 HydrophobicContact CD2-CB 4.27Å; F476-L495 HydrophobicContact CD2-CD1 4.22Å; F476-L495 HydrophobicContact CD2-CD2 4.22Å; F476-L495 HydrophobicContact CD2-CG 4.48Å; F476-L495 HydrophobicContact CE1-CB 4.27Å; F476-L495 HydrophobicContact CE1-CD2 4.28Å; F476-L495 HydrophobicContact CE2-CB 3.9Å; F476-L495 HydrophobicContact CG-CD2 3.84Å; F476-L495 HydrophobicContact CZ-CB 3.91Å; F476-L495 WeakPolarHBondContact CZ-O 3.39Å; F476-I500 HydrophobicContact CD1-CD1 3.45Å; F476-I500 VanDerWaalsContact CD1-CD1 3.45Å; F476-I500 HydrophobicContact CD1-CG2 4.48Å; F476-I500 HydrophobicContact CE1-CD1 3.83Å; F476-I500 HydrophobicContact CG-CD1 4.47Å; F476-E776 HydrophobicContact CB-CB 4.09Å; F476-E776 HydrophobicContact CB-CG 4.28Å; F476-E776 VanDerWaalsContact CD2-O 3.25Å; F476-E776 WeakPolarHBondContact CD2-O 3.25Å; F476-A779 HydrophobicContact CD2-CB 4.25Å; F476-A779 HydrophobicContact CE2-CB 3.68Å; F476-W780 AromaticContact CD1-CE3 3.46Å; F476-W780 HydrophobicContact CD1-CE3 3.46Å; F476-W780 VanDerWaalsContact CD1-CE3 3.46Å; F476-W780 AromaticContact CD1-CZ3 3.85Å; F476-W780 HydrophobicContact CD1-CZ3 3.85Å; F476-W780 HydrophobicContact CD2-CB 4.09Å; F476-W780 HydrophobicContact CD2-CE3 4.49Å; F476-W780 AromaticContact CE1-CE3 3.66Å; F476-W780 HydrophobicContact CE1-CE3 3.66Å; F476-W780 HydrophobicContact CE1-CZ3 4.1Å; F476-W780 HydrophobicContact CE2-CB 4.01Å; F476-W780 AromaticContact CG-CE3 3.91Å; F476-W780 HydrophobicContact CG-CE3 3.91Å; F476-W780 HydrophobicContact CZ-CB 4.39Å; F476-W780 HydrophobicContact CZ-CE3 4.27Å |
| 477 | R | 94.6 | Very high | 86.5 | Confident | 73 Ų | 73 | 43.1 Ų | 43.1 | 28% | 0.275 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.6 | -48.4 | 176.6 | 175 | 59.5 | 69.7 | 138.7 | 9.4 | 111 | S472 G474 L475 A479 F480 D481 E776 | S472-R477 WeakPolarHBondContact O-CG 3.48Å; G474-R477 PolarHBondContact O-N 3.36Å; L475-R477 PolarHBondContact O-N 3.4Å; R477-A479 VanDerWaalsContact C-N 3.3Å; R477-A479 PolarHBondContact O-N 2.84Å; R477-F480 WeakPolarHBondContact O-CB 3.46Å; R477-F480 PolarHBondContact O-N 2.89Å; R477-F480 VanDerWaalsContact O-N 3.1Å; R477-D481 WeakPolarHBondContact CD-OD1 3.05Å; R477-D481 WeakPolarHBondContact CD-OD2 3.3Å; R477-D481 WeakPolarHBondContact CG-OD2 3.48Å; R477-D481 IonicContact NH1-OD1 3.41Å; R477-D481 WeakPolarHBondContact O-CB 3.5Å; R477-D481 PolarHBondContact O-N 3.45Å; R477-E776 VanDerWaalsContact CB-OE2 3.29Å; R477-E776 WeakPolarHBondContact CB-OE2 2.86Å |
| 478 | M | 94 | Very high | 86 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 178.5 | -66.4 | 179.3 | 66.5 | 0 | 0 | 112.4 | G474 L475 T482 S695 F718 | G474-M478 WeakPolarHBondContact O-CG 3.46Å; G474-M478 PolarHBondContact O-N 3.15Å; L475-M478 PolarHBondContact O-N 3.03Å; M478-T482 VanDerWaalsContact O-CG2 3.3Å; M478-T482 WeakPolarHBondContact O-CG2 3.41Å; M478-T482 PolarHBondContact O-N 3.47Å; M478-T482 PolarHBondContact O-OG1 3.45Å; M478-S695 WeakPolarHBondContact CE-OG 3.17Å; M478-F718 HydrophobicContact CB-CD2 3.78Å; M478-F718 HydrophobicContact CB-CE2 4.1Å; M478-F718 HydrophobicContact CE-CB 4.06Å; M478-F718 HydrophobicContact CE-CD2 4.18Å |
| 479 | A | 94.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.4 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L475 R477 T482 I500 S504 A507 F718 W780 | L475-A479 VanDerWaalsContact O-CB 3.31Å; L475-A479 WeakPolarHBondContact O-CB 3.35Å; L475-A479 PolarHBondContact O-N 3.49Å; R477-A479 VanDerWaalsContact C-N 3.3Å; R477-A479 PolarHBondContact O-N 2.84Å; A479-T482 WeakPolarHBondContact CA-OG1 3.35Å; A479-T482 PolarHBondContact O-N 3.11Å; A479-T482 PolarHBondContact O-OG1 3.26Å; A479-I500 HydrophobicContact CB-CG2 3.48Å; A479-I500 VanDerWaalsContact CB-CG2 3.48Å; A479-S504 WeakPolarHBondContact O-CB 3.39Å; A479-S504 PolarHBondContact O-OG 3.42Å; A479-A507 HydrophobicContact CB-CB 3.95Å; A479-F718 HydrophobicContact CB-CE2 3.85Å; A479-F718 HydrophobicContact CB-CZ 4.15Å; A479-W780 HydrophobicContact CB-CH2 3.67Å; A479-W780 HydrophobicContact CB-CZ3 3.48Å; A479-W780 VanDerWaalsContact CB-CZ3 3.48Å |
| 480 | F | 93 | Very high | 86.8 | Confident | 18 Ų | 18 | 49 Ų | 49 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 177.8 | -173.8 | -88.1 | 0 | 0 | 0 | 112.6 | F476 R477 T482 M483 R488 Y490 | F476-F480 VanDerWaalsContact O-CB 3.28Å; F476-F480 WeakPolarHBondContact O-CB 3.07Å; F476-F480 PolarHBondContact O-N 3.09Å; R477-F480 WeakPolarHBondContact O-CB 3.46Å; R477-F480 PolarHBondContact O-N 2.89Å; R477-F480 VanDerWaalsContact O-N 3.1Å; F480-T482 PolarHBondContact O-N 2.87Å; F480-M483 HydrophobicContact CD2-CE 3.82Å; F480-M483 HydrophobicContact CD2-SD 3.93Å; F480-M483 HydrophobicContact CE2-CE 4.48Å; F480-M483 HydrophobicContact CE2-SD 4.22Å; F480-M483 HydrophobicContact CG-SD 4.49Å; F480-M483 WeakPolarHBondContact O-CB 3.33Å; F480-M483 VanDerWaalsContact O-CG 3.3Å; F480-M483 WeakPolarHBondContact O-CG 3.49Å; F480-M483 PolarHBondContact O-N 2.95Å; F480-M483 VanDerWaalsContact O-N 3.14Å; F480-R488 HydrophobicContact CE2-CB 4.37Å; F480-R488 HydrophobicContact CZ-CB 4.44Å; F480-R488 WeakPolarHBondContact CZ-O 3.28Å; F480-Y490 HydrophobicContact CB-CD2 3.76Å; F480-Y490 HydrophobicContact CB-CE2 4.05Å; F480-Y490 AromaticContact CD1-CD2 3.87Å; F480-Y490 HydrophobicContact CD1-CD2 3.87Å; F480-Y490 HydrophobicContact CD1-CG 4.25Å; F480-Y490 AromaticContact CD2-CD2 3.74Å; F480-Y490 HydrophobicContact CD2-CD2 3.74Å; F480-Y490 HydrophobicContact CE1-CD2 4.43Å; F480-Y490 HydrophobicContact CE2-CD2 4.29Å; F480-Y490 AromaticContact CG-CD2 3.49Å; F480-Y490 HydrophobicContact CG-CD2 3.49Å; F480-Y490 VanDerWaalsContact CG-CD2 3.49Å; F480-Y490 HydrophobicContact CG-CE2 4.28Å; F480-Y490 HydrophobicContact CG-CG 4.31Å |
| 481 | D | 90.1 | Very high | 86.9 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 32% | 0.321 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.6 | -12.8 | -179 | -65.7 | -10.9 | 0 | 0 | 0 | 112.4 | R477 | R477-D481 WeakPolarHBondContact CD-OD1 3.05Å; R477-D481 WeakPolarHBondContact CD-OD2 3.3Å; R477-D481 WeakPolarHBondContact CG-OD2 3.48Å; R477-D481 IonicContact NH1-OD1 3.41Å; R477-D481 WeakPolarHBondContact O-CB 3.5Å; R477-D481 PolarHBondContact O-N 3.45Å |
| 482 | T | 90.4 | Very high | 87.2 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 16.8 | 175.8 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | M478 A479 F480 S504 P505 V506 L669 I714 | M478-T482 VanDerWaalsContact O-CG2 3.3Å; M478-T482 WeakPolarHBondContact O-CG2 3.41Å; M478-T482 PolarHBondContact O-N 3.47Å; M478-T482 PolarHBondContact O-OG1 3.45Å; A479-T482 WeakPolarHBondContact CA-OG1 3.35Å; A479-T482 PolarHBondContact O-N 3.11Å; A479-T482 PolarHBondContact O-OG1 3.26Å; F480-T482 PolarHBondContact O-N 2.87Å; T482-S504 PolarHBondContact OG1-OG 2.8Å; T482-P505 VanDerWaalsContact O-CD 3.24Å; T482-P505 WeakPolarHBondContact O-CD 3.29Å; T482-V506 HydrophobicContact CG2-CG2 4.11Å; T482-L669 WeakPolarHBondContact O-CD2 3.29Å; T482-I714 HydrophobicContact CG2-CG2 3.62Å |
| 483 | M | 89.2 | Confident | 87.5 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | trans | -72.9 | 142.9 | 173.2 | -69.8 | -177.6 | 176.6 | 0 | 0 | 112.1 | F480 T485 I500 E503 | F480-M483 HydrophobicContact CD2-CE 3.82Å; F480-M483 HydrophobicContact CD2-SD 3.93Å; F480-M483 HydrophobicContact CE2-CE 4.48Å; F480-M483 HydrophobicContact CE2-SD 4.22Å; F480-M483 HydrophobicContact CG-SD 4.49Å; F480-M483 WeakPolarHBondContact O-CB 3.33Å; F480-M483 VanDerWaalsContact O-CG 3.3Å; F480-M483 WeakPolarHBondContact O-CG 3.49Å; F480-M483 PolarHBondContact O-N 2.95Å; F480-M483 VanDerWaalsContact O-N 3.14Å; M483-T485 VanDerWaalsContact C-N 3.27Å; M483-T485 PolarHBondContact O-N 3.23Å; M483-I500 HydrophobicContact CE-CB 3.87Å; M483-I500 HydrophobicContact CE-CG1 3.8Å; M483-I500 HydrophobicContact CE-CG2 3.65Å; M483-E503 WeakPolarHBondContact CA-O 3.31Å; M483-E503 HydrophobicContact CB-CB 4.49Å; M483-E503 HydrophobicContact CE-CB 4.06Å; M483-E503 HydrophobicContact CG-CB 3.91Å; M483-E503 HydrophobicContact SD-CB 3.93Å | ||
| 484 | I | 78.2 | Confident | 87.5 | Confident | 73 Ų | 73 | 49.6 Ų | 49.6 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -70.3 | -25.7 | 176 | -65.7 | 174.9 | 0 | 0 | 0 | 111.7 | E503 P505 D668 L669 Q672 | I484-E503 PolarHBondContact N-O 3.22Å; I484-P505 HydrophobicContact CD1-CG 3.48Å; I484-P505 VanDerWaalsContact CD1-CG 3.48Å; I484-P505 HydrophobicContact CG1-CG 3.64Å; I484-D668 HydrophobicContact CD1-CB 4.17Å; I484-L669 HydrophobicContact CG1-CD2 4.46Å; I484-Q672 PolarHBondContact O-NE2 2.67Å |
| 485 | T | 71.5 | Confident | 87.5 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 52% | 0.515 | 27% | 0.271 | S | S | . | . | trans | -128.1 | 82.8 | -178.7 | -51 | 0 | 0 | 0 | 0 | 111 | M483 T487 | M483-T485 VanDerWaalsContact C-N 3.27Å; M483-T485 PolarHBondContact O-N 3.23Å; T485-T487 VanDerWaalsContact C-N 3.25Å; T485-T487 HydrophobicContact CG2-CG2 3.71Å; T485-T487 PolarHBondContact O-N 3.16Å | ||
| 486 | P | 63 | Low | 87.4 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | trans | -80.1 | 71.5 | 177.9 | 32.3 | -33.2 | 0 | 0 | 0 | 110.5 | ||||
| 487 | T | 65.6 | Low | 87.3 | Confident | 118 Ų | 118 | 50.7 Ų | 50.7 | 72% | 0.724 | 28% | 0.276 | S | S | * | . | trans | -97 | -0.4 | 174.7 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | T485 | T485-T487 VanDerWaalsContact C-N 3.25Å; T485-T487 HydrophobicContact CG2-CG2 3.71Å; T485-T487 PolarHBondContact O-N 3.16Å | ||
| 488 | R | 73.9 | Confident | 87.2 | Confident | 148 Ų | 148 | 51.6 Ų | 51.6 | 56% | 0.558 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -108.2 | 156.9 | -175.4 | -63.8 | -177.3 | 179.1 | 148.9 | 3.9 | 111.1 | F480 E503 | F480-R488 HydrophobicContact CE2-CB 4.37Å; F480-R488 HydrophobicContact CZ-CB 4.44Å; F480-R488 WeakPolarHBondContact CZ-O 3.28Å; R488-E503 IonicContact CZ-OE1 3.21Å; R488-E503 IonicContact NH1-OE1 3.85Å; R488-E503 PolarHBondContact NH1-OE1 3.31Å; R488-E503 IonicContact NH1-OE2 3.26Å; R488-E503 PolarHBondContact NH1-OE2 2.83Å; R488-E503 IonicContact NH2-OE1 3.9Å |
| 489 | T | 87.1 | Confident | 87.2 | Confident | 119 Ų | 119 | 55.5 Ų | 55.5 | 73% | 0.73 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 139.3 | 169.4 | 50 | 0 | 0 | 0 | 0 | 109.9 | P491 | T489-P491 CarbonylContact O-C 3.57Š|
| 490 | Y | 90.7 | Very high | 87.1 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 14% | 0.137 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -91.5 | 137.8 | 172.3 | -176.3 | -88.3 | 0 | 0 | 0 | 111.7 | F476 F480 L495 E776 V890 | F476-Y490 HydrophobicContact CB-CE2 4.47Å; F480-Y490 HydrophobicContact CB-CD2 3.76Å; F480-Y490 HydrophobicContact CB-CE2 4.05Å; F480-Y490 AromaticContact CD1-CD2 3.87Å; F480-Y490 HydrophobicContact CD1-CD2 3.87Å; F480-Y490 HydrophobicContact CD1-CG 4.25Å; F480-Y490 AromaticContact CD2-CD2 3.74Å; F480-Y490 HydrophobicContact CD2-CD2 3.74Å; F480-Y490 HydrophobicContact CE1-CD2 4.43Å; F480-Y490 HydrophobicContact CE2-CD2 4.29Å; F480-Y490 AromaticContact CG-CD2 3.49Å; F480-Y490 HydrophobicContact CG-CD2 3.49Å; F480-Y490 VanDerWaalsContact CG-CD2 3.49Å; F480-Y490 HydrophobicContact CG-CE2 4.28Å; F480-Y490 HydrophobicContact CG-CG 4.31Å; Y490-L495 HydrophobicContact CE2-CD2 4.35Å; Y490-E776 WeakPolarHBondContact CE1-OE1 3.37Å; Y490-E776 VanDerWaalsContact OH-CG 3.23Å; Y490-E776 WeakPolarHBondContact OH-CG 3.27Å; Y490-E776 PolarHBondContact OH-OE1 2.84Å; Y490-V890 HydrophobicContact CE1-CG2 4.11Å |
| 491 | P | 93.1 | Very high | 87.1 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | S | Bend | cis | -79.7 | 158.3 | -8.8 | 33.2 | -34.2 | 0 | 0 | 0 | 111.8 | T489 L495 A889 V890 A893 | T489-P491 CarbonylContact O-C 3.57Å; P491-L495 HydrophobicContact CB-CD1 4.34Å; P491-L495 HydrophobicContact CB-CD2 4.17Å; P491-L495 HydrophobicContact CB-CG 4.29Å; P491-A889 HydrophobicContact CG-CB 3.64Å; P491-V890 HydrophobicContact CB-CG2 4.36Å; P491-V890 HydrophobicContact CG-CG2 3.96Å; P491-A893 HydrophobicContact CB-CB 4.25Å; P491-A893 HydrophobicContact CG-CB 4.37Å |
| 492 | P | 92.5 | Very high | 87.2 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 23% | 0.234 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 170.9 | 165.3 | 29.3 | -35.9 | 0 | 0 | 0 | 111.7 | E494 L495 I500 A893 | P492-E494 WeakPolarHBondContact CG-O 3.3Å; P492-E494 PolarHBondContact O-N 3.22Å; P492-L495 HydrophobicContact CG-CD2 4.07Å; P492-I500 HydrophobicContact CG-CD1 4.1Å; P492-A893 WeakPolarHBondContact O-CB 3.24Å |
| 493 | S | 92.1 | Very high | 87.2 | Confident | 98 Ų | 98 | 56.1 Ų | 56.1 | 69% | 0.685 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -63 | -25.9 | -179.9 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | A893 N896 | S493-A893 WeakPolarHBondContact O-CA 3.34Å; S493-N896 WeakPolarHBondContact O-CB 3.28Å; S493-N896 PolarHBondContact O-ND2 2.79Å |
| 494 | E | 93.7 | Very high | 87.4 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 28% | 0.276 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -134.4 | 126.4 | 174.1 | -68.8 | -174.5 | 169.5 | 0 | 0 | 109 | P492 S496 A893 N896 H897 T900 | P492-E494 WeakPolarHBondContact CG-O 3.3Å; P492-E494 PolarHBondContact O-N 3.22Å; E494-S496 PolarHBondContact O-N 2.81Å; E494-S496 VanDerWaalsContact O-N 3.15Å; E494-A893 WeakPolarHBondContact CA-O 3.3Å; E494-N896 HydrophobicContact CG-CB 3.92Å; E494-H897 HydrophobicContact CB-CB 4.17Å; E494-T900 PolarHBondContact OE1-OG1 3Å |
| 495 | L | 95.3 | Very high | 88.2 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | trans | -85.3 | 84.8 | 173.7 | -81.2 | 173.2 | 0 | 0 | 0 | 110 | F476 Y490 P491 P492 I500 V890 A893 V894 | F476-L495 HydrophobicContact CB-CD2 4.15Å; F476-L495 HydrophobicContact CD1-CD2 3.85Å; F476-L495 HydrophobicContact CD2-CB 4.27Å; F476-L495 HydrophobicContact CD2-CD1 4.22Å; F476-L495 HydrophobicContact CD2-CD2 4.22Å; F476-L495 HydrophobicContact CD2-CG 4.48Å; F476-L495 HydrophobicContact CE1-CB 4.27Å; F476-L495 HydrophobicContact CE1-CD2 4.28Å; F476-L495 HydrophobicContact CE2-CB 3.9Å; F476-L495 HydrophobicContact CG-CD2 3.84Å; F476-L495 HydrophobicContact CZ-CB 3.91Å; F476-L495 WeakPolarHBondContact CZ-O 3.39Å; Y490-L495 HydrophobicContact CE2-CD2 4.35Å; P491-L495 HydrophobicContact CB-CD1 4.34Å; P491-L495 HydrophobicContact CB-CD2 4.17Å; P491-L495 HydrophobicContact CB-CG 4.29Å; P492-L495 HydrophobicContact CG-CD2 4.07Å; L495-I500 HydrophobicContact CD2-CD1 3.63Å; L495-V890 HydrophobicContact CD1-CG1 3.9Å; L495-A893 HydrophobicContact CB-CB 4.29Å; L495-A893 HydrophobicContact CD1-CB 4.02Å; L495-A893 HydrophobicContact CG-CB 3.72Å; L495-A893 PolarHBondContact N-O 3.36Å; L495-A893 VanDerWaalsContact N-O 3.13Å; L495-V894 HydrophobicContact CB-CG2 4.38Å; L495-V894 HydrophobicContact CD1-CG2 3.86Å | ||
| 496 | S | 95.2 | Very high | 89.3 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | trans | -99.3 | 124.4 | 174.3 | 166 | 0 | 0 | 0 | 0 | 110.6 | E494 L498 N499 I500 | E494-S496 PolarHBondContact O-N 2.81Å; E494-S496 VanDerWaalsContact O-N 3.15Å; S496-L498 VanDerWaalsContact C-N 3.27Å; S496-L498 PolarHBondContact O-N 2.63Å; S496-L498 PolarHBondContact OG-N 3.41Å; S496-N499 PolarHBondContact O-N 2.62Å; S496-N499 PolarHBondContact OG-N 2.65Å; S496-I500 PolarHBondContact O-N 2.77Å; S496-I500 VanDerWaalsContact O-N 3.16Å | ||
| 497 | Y | 94.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.1 | -45.2 | 173.3 | 150.5 | -102.1 | 0 | 0 | 0 | 110.2 | N499 S501 C511 W780 D783 Y784 T787 | Y497-N499 PolarHBondContact O-N 3.4Å; Y497-S501 WeakPolarHBondContact CE2-OG 3.23Å; Y497-S501 WeakPolarHBondContact O-CB 2.86Å; Y497-S501 PolarHBondContact O-N 3.5Å; Y497-S501 PolarHBondContact O-OG 3.31Å; Y497-C511 HydrophobicContact CE2-CB 3.57Å; Y497-C511 VanDerWaalsContact CE2-SG 3.56Å; Y497-C511 WeakPolarHBondContact OH-CB 3.21Å; Y497-W780 HydrophobicContact CD2-CD2 4.18Å; Y497-W780 AromaticContact CD2-CE2 3.57Å; Y497-W780 HydrophobicContact CD2-CE3 4.5Å; Y497-W780 AromaticContact CD2-CH2 3.7Å; Y497-W780 HydrophobicContact CD2-CH2 3.7Å; Y497-W780 AromaticContact CD2-CZ2 3.32Å; Y497-W780 HydrophobicContact CD2-CZ2 3.32Å; Y497-W780 HydrophobicContact CD2-CZ3 4.28Å; Y497-W780 HydrophobicContact CE2-CH2 4.12Å; Y497-W780 AromaticContact CE2-CZ2 3.56Å; Y497-W780 HydrophobicContact CE2-CZ2 3.56Å; Y497-D783 VanDerWaalsContact CB-OD2 3.3Å; Y497-D783 WeakPolarHBondContact CB-OD2 3.35Å; Y497-D783 PolarHBondContact N-OD2 3.38Å; Y497-Y784 HydrophobicContact CD1-CD2 4.32Å; Y497-Y784 HydrophobicContact CD2-CD2 4.38Å; Y497-Y784 AromaticContact CE1-CD2 3.88Å; Y497-Y784 HydrophobicContact CE1-CD2 3.88Å; Y497-Y784 AromaticContact CE2-CD2 3.95Å; Y497-Y784 HydrophobicContact CE2-CD2 3.95Å; Y497-Y784 AromaticContact CZ-CD2 3.7Å; Y497-T787 HydrophobicContact CE1-CG2 4.15Å |
| 498 | L | 94 | Very high | 92.3 | Very high | 91 Ų | 91 | 39.1 Ų | 39.1 | 48% | 0.476 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.3 | -42.2 | -176.7 | -176.1 | 62.3 | 0 | 0 | 0 | 111.7 | S496 S501 S502 L513 | S496-L498 VanDerWaalsContact C-N 3.27Å; S496-L498 PolarHBondContact O-N 2.63Å; S496-L498 PolarHBondContact OG-N 3.41Å; L498-S501 PolarHBondContact O-OG 3.16Å; L498-S502 VanDerWaalsContact O-CB 3.25Å; L498-S502 WeakPolarHBondContact O-CB 3.22Å; L498-S502 PolarHBondContact O-N 2.96Å; L498-L513 HydrophobicContact CD1-CD1 3.59Å |
| 499 | N | 92.6 | Very high | 93.4 | Very high | 86 Ų | 86 | 32.2 Ų | 32.2 | 46% | 0.46 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.6 | -50.3 | -179.3 | -68.8 | -12.6 | 0 | 0 | 0 | 111 | S496 Y497 S502 | S496-N499 PolarHBondContact O-N 2.62Å; S496-N499 PolarHBondContact OG-N 2.65Å; Y497-N499 PolarHBondContact O-N 3.4Å; N499-S502 PolarHBondContact O-N 3.25Å; N499-S502 PolarHBondContact O-OG 2.87Å |
| 500 | I | 92.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.4 | -45.3 | -176.5 | -73.6 | 171.2 | 0 | 0 | 0 | 111.7 | F476 A479 M483 P492 L495 S496 S502 E503 S504 W780 | F476-I500 HydrophobicContact CD1-CD1 3.45Å; F476-I500 VanDerWaalsContact CD1-CD1 3.45Å; F476-I500 HydrophobicContact CD1-CG2 4.48Å; F476-I500 HydrophobicContact CE1-CD1 3.83Å; F476-I500 HydrophobicContact CG-CD1 4.47Å; A479-I500 HydrophobicContact CB-CG2 3.48Å; A479-I500 VanDerWaalsContact CB-CG2 3.48Å; M483-I500 HydrophobicContact CE-CB 3.87Å; M483-I500 HydrophobicContact CE-CG1 3.8Å; M483-I500 HydrophobicContact CE-CG2 3.65Å; P492-I500 HydrophobicContact CG-CD1 4.1Å; L495-I500 HydrophobicContact CD2-CD1 3.63Å; S496-I500 PolarHBondContact O-N 2.77Å; S496-I500 VanDerWaalsContact O-N 3.16Å; I500-S502 PolarHBondContact O-N 3.28Å; I500-E503 PolarHBondContact O-N 2.76Å; I500-E503 VanDerWaalsContact O-N 3.16Å; I500-S504 PolarHBondContact O-N 3.26Å; I500-W780 HydrophobicContact CG2-CZ3 4Å |
| 501 | S | 94 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -30 | 179.9 | 61 | 0 | 0 | 0 | 0 | 112.6 | Y497 L498 E503 S504 S508 | Y497-S501 WeakPolarHBondContact CE2-OG 3.23Å; Y497-S501 WeakPolarHBondContact O-CB 2.86Å; Y497-S501 PolarHBondContact O-N 3.5Å; Y497-S501 PolarHBondContact O-OG 3.31Å; L498-S501 PolarHBondContact O-OG 3.16Å; S501-E503 PolarHBondContact O-N 3.05Å; S501-S504 PolarHBondContact O-N 3.31Å; S501-S508 PolarHBondContact O-N 3.2Å; S501-S508 PolarHBondContact O-OG 3.33Å |
| 502 | S | 92.3 | Very high | 94.1 | Very high | 28 Ų | 28 | 26.4 Ų | 26.4 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.9 | 179.9 | 84.9 | 0 | 0 | 0 | 0 | 114.7 | L498 N499 I500 K516 | L498-S502 VanDerWaalsContact O-CB 3.25Å; L498-S502 WeakPolarHBondContact O-CB 3.22Å; L498-S502 PolarHBondContact O-N 2.96Å; N499-S502 PolarHBondContact O-N 3.25Å; N499-S502 PolarHBondContact O-OG 2.87Å; I500-S502 PolarHBondContact O-N 3.28Å; S502-K516 WeakPolarHBondContact O-CD 3.38Å; S502-K516 WeakPolarHBondContact O-CE 3.48Å; S502-K516 PolarHBondContact O-NZ 2.85Å |
| 503 | E | 90.2 | Very high | 94.2 | Very high | 59 Ų | 59 | 25.3 Ų | 25.3 | 28% | 0.276 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -14.8 | -178.9 | -65.3 | 179.7 | -166.5 | 0 | 0 | 112.5 | M483 I484 R488 I500 S501 | M483-E503 WeakPolarHBondContact CA-O 3.31Å; M483-E503 HydrophobicContact CB-CB 4.49Å; M483-E503 HydrophobicContact CE-CB 4.06Å; M483-E503 HydrophobicContact CG-CB 3.91Å; M483-E503 HydrophobicContact SD-CB 3.93Å; I484-E503 PolarHBondContact N-O 3.22Å; R488-E503 IonicContact CZ-OE1 3.21Å; R488-E503 IonicContact NH1-OE1 3.85Å; R488-E503 PolarHBondContact NH1-OE1 3.31Å; R488-E503 IonicContact NH1-OE2 3.26Å; R488-E503 PolarHBondContact NH1-OE2 2.83Å; R488-E503 IonicContact NH2-OE1 3.9Å; I500-E503 PolarHBondContact O-N 2.76Å; I500-E503 VanDerWaalsContact O-N 3.16Å; S501-E503 PolarHBondContact O-N 3.05Å |
| 504 | S | 93.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -101.8 | 116.9 | 176.9 | 167.6 | 0 | 0 | 0 | 0 | 111.2 | A479 T482 I500 S501 V506 A507 S508 | A479-S504 WeakPolarHBondContact O-CB 3.39Å; A479-S504 PolarHBondContact O-OG 3.42Å; T482-S504 PolarHBondContact OG1-OG 2.8Å; I500-S504 PolarHBondContact O-N 3.26Å; S501-S504 PolarHBondContact O-N 3.31Å; S504-V506 PolarHBondContact O-N 3.49Å; S504-V506 PolarHBondContact OG-N 2.75Å; S504-A507 PolarHBondContact O-N 3.19Å; S504-A507 PolarHBondContact OG-N 2.94Å; S504-A507 VanDerWaalsContact OG-N 3.14Å; S504-S508 VanDerWaalsContact O-CB 3.25Å; S504-S508 WeakPolarHBondContact O-CB 3.38Å; S504-S508 PolarHBondContact O-N 3.33Å; S504-S508 PolarHBondContact O-OG 2.9Å | ||
| 505 | P | 94.3 | Very high | 94 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.4 | -39.2 | 174 | -24.9 | 35.3 | 0 | 0 | 0 | 112.3 | T482 I484 A509 I518 G665 L666 L669 | T482-P505 VanDerWaalsContact O-CD 3.24Å; T482-P505 WeakPolarHBondContact O-CD 3.29Å; I484-P505 HydrophobicContact CD1-CG 3.48Å; I484-P505 VanDerWaalsContact CD1-CG 3.48Å; I484-P505 HydrophobicContact CG1-CG 3.64Å; P505-A509 VanDerWaalsContact O-CB 3.27Å; P505-A509 WeakPolarHBondContact O-CB 3.33Å; P505-A509 PolarHBondContact O-N 3.03Å; P505-I518 HydrophobicContact CB-CD1 4.04Å; P505-G665 WeakPolarHBondContact CB-O 3.23Å; P505-L666 HydrophobicContact CB-CD2 4.42Å; P505-L669 HydrophobicContact CG-CD2 4.15Å; P505-L669 HydrophobicContact CG-CG 4.36Å |
| 506 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -51.1 | 179.7 | 168.2 | 0 | 0 | 0 | 0 | 111 | T482 S504 T510 L666 L669 I714 Q715 F718 | T482-V506 HydrophobicContact CG2-CG2 4.11Å; S504-V506 PolarHBondContact O-N 3.49Å; S504-V506 PolarHBondContact OG-N 2.75Å; V506-T510 WeakPolarHBondContact O-CB 3.41Å; V506-T510 PolarHBondContact O-N 2.83Å; V506-T510 PolarHBondContact O-OG1 2.75Å; V506-L666 HydrophobicContact CG2-CD2 4.27Å; V506-L669 HydrophobicContact CG2-CD1 3.79Å; V506-I714 HydrophobicContact CG2-CG2 4.21Å; V506-Q715 PolarHBondContact O-NE2 2.64Å; V506-Q715 PolarHBondContact O-OE1 2.79Å; V506-F718 HydrophobicContact CG1-CB 3.6Å; V506-F718 HydrophobicContact CG1-CD1 3.96Å; V506-F718 HydrophobicContact CG1-CD2 4.06Å; V506-F718 HydrophobicContact CG1-CG 3.59Å |
| 507 | A | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.6 | -41.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A479 S504 A509 T510 C511 F718 W780 | A479-A507 HydrophobicContact CB-CB 3.95Å; S504-A507 PolarHBondContact O-N 3.19Å; S504-A507 PolarHBondContact OG-N 2.94Å; S504-A507 VanDerWaalsContact OG-N 3.14Å; A507-A509 VanDerWaalsContact C-N 3.3Å; A507-A509 PolarHBondContact O-N 3.3Å; A507-T510 PolarHBondContact O-N 3.45Å; A507-C511 VanDerWaalsContact O-CB 3.29Å; A507-C511 WeakPolarHBondContact O-CB 3.3Å; A507-C511 PolarHBondContact O-N 3Å; A507-C511 PolarHBondContact O-SG 3.38Å; A507-C511 VanDerWaalsContact O-SG 3.42Å; A507-F718 HydrophobicContact CB-CE1 4.11Å; A507-F718 HydrophobicContact CB-CZ 3.82Å; A507-W780 HydrophobicContact CB-CH2 3.66Å; A507-W780 HydrophobicContact CB-CZ2 4.13Å |
| 508 | S | 96.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56 | -45 | 175.3 | -83 | 0 | 0 | 0 | 0 | 111.7 | S501 S504 L512 L513 G519 | S501-S508 PolarHBondContact O-N 3.2Å; S501-S508 PolarHBondContact O-OG 3.33Å; S504-S508 VanDerWaalsContact O-CB 3.25Å; S504-S508 WeakPolarHBondContact O-CB 3.38Å; S504-S508 PolarHBondContact O-N 3.33Å; S504-S508 PolarHBondContact O-OG 2.9Å; S508-L512 PolarHBondContact O-N 3.22Å; S508-L513 PolarHBondContact O-N 2.74Å; S508-G519 WeakPolarHBondContact O-CA 3.45Å |
| 509 | A | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -53.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P505 A507 C511 L512 I518 M522 | P505-A509 VanDerWaalsContact O-CB 3.27Å; P505-A509 WeakPolarHBondContact O-CB 3.33Å; P505-A509 PolarHBondContact O-N 3.03Å; A507-A509 VanDerWaalsContact C-N 3.3Å; A507-A509 PolarHBondContact O-N 3.3Å; A509-C511 VanDerWaalsContact C-N 3.3Å; A509-C511 PolarHBondContact O-N 2.85Å; A509-L512 PolarHBondContact O-N 2.74Å; A509-I518 HydrophobicContact CB-CD1 3.95Å; A509-I518 HydrophobicContact CB-CG1 3.87Å; A509-M522 HydrophobicContact CB-CG 4.03Å |
| 510 | T | 95.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 7% | 0.067 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -45.3 | -177.4 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | V506 A507 L512 Q715 F718 N719 H722 | V506-T510 WeakPolarHBondContact O-CB 3.41Å; V506-T510 PolarHBondContact O-N 2.83Å; V506-T510 PolarHBondContact O-OG1 2.75Å; A507-T510 PolarHBondContact O-N 3.45Å; T510-L512 VanDerWaalsContact C-N 3.31Å; T510-L512 PolarHBondContact O-N 3.29Å; T510-Q715 PolarHBondContact OG1-NE2 2.65Å; T510-F718 HydrophobicContact CG2-CD1 3.77Å; T510-F718 HydrophobicContact CG2-CE1 3.89Å; T510-F718 WeakPolarHBondContact OG1-CD1 3.49Å; T510-N719 VanDerWaalsContact CB-OD1 3.32Å; T510-N719 WeakPolarHBondContact CB-OD1 3.49Å; T510-N719 WeakPolarHBondContact CG2-OD1 3.48Å; T510-N719 PolarHBondContact OG1-OD1 3.29Å; T510-H722 HydrophobicContact CG2-CB 3.86Å |
| 511 | C | 95.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 4% | 0.041 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 11.1 | -170.5 | -56.3 | 0 | 0 | 0 | 0 | 113 | Y497 A507 A509 L513 Y784 | Y497-C511 HydrophobicContact CE2-CB 3.57Å; Y497-C511 VanDerWaalsContact CE2-SG 3.56Å; Y497-C511 WeakPolarHBondContact OH-CB 3.21Å; A507-C511 VanDerWaalsContact O-CB 3.29Å; A507-C511 WeakPolarHBondContact O-CB 3.3Å; A507-C511 PolarHBondContact O-N 3Å; A507-C511 PolarHBondContact O-SG 3.38Å; A507-C511 VanDerWaalsContact O-SG 3.42Å; A509-C511 VanDerWaalsContact C-N 3.3Å; A509-C511 PolarHBondContact O-N 2.85Å; C511-L513 VanDerWaalsContact C-N 3.29Å; C511-L513 PolarHBondContact O-N 3.36Å; C511-Y784 HydrophobicContact CB-CD2 4.4Å; C511-Y784 HydrophobicContact CB-CE2 3.89Å |
| 512 | L | 94.6 | Very high | 94.5 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 20% | 0.204 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 42.6 | 174.5 | -49.6 | -177.6 | 0 | 0 | 0 | 112.7 | S508 A509 T510 N514 G519 M522 D523 Y526 | S508-L512 PolarHBondContact O-N 3.22Å; A509-L512 PolarHBondContact O-N 2.74Å; T510-L512 VanDerWaalsContact C-N 3.31Å; T510-L512 PolarHBondContact O-N 3.29Å; L512-N514 PolarHBondContact O-N 3.13Å; L512-G519 CarbonylContact C-O 3.44Å; L512-M522 HydrophobicContact CD2-CB 3.71Å; L512-D523 HydrophobicContact CB-CB 4.13Å; L512-Y526 HydrophobicContact CD1-CD2 4.19Å; L512-Y526 HydrophobicContact CD1-CG 4.46Å; L512-Y526 HydrophobicContact CD2-CD2 3.46Å; L512-Y526 VanDerWaalsContact CD2-CD2 3.46Å; L512-Y526 HydrophobicContact CD2-CE2 3.7Å; L512-Y526 HydrophobicContact CD2-CG 4.45Å; L512-Y526 HydrophobicContact CG-CD2 4.48Å |
| 513 | L | 93.5 | Very high | 94.6 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | trans | -71.6 | 100.1 | -172.8 | -175.7 | 63.5 | 0 | 0 | 0 | 111.1 | L498 S508 C511 T515 K516 G519 K520 | L498-L513 HydrophobicContact CD1-CD1 3.59Å; S508-L513 PolarHBondContact O-N 2.74Å; C511-L513 VanDerWaalsContact C-N 3.29Å; C511-L513 PolarHBondContact O-N 3.36Å; L513-T515 WeakPolarHBondContact CG-OG1 3.38Å; L513-T515 PolarHBondContact O-N 3.4Å; L513-T515 VanDerWaalsContact O-N 3.08Å; L513-K516 HydrophobicContact CD2-CG 3.81Å; L513-K516 HydrophobicContact CG-CG 4.36Å; L513-K516 PolarHBondContact O-N 3.4Å; L513-K516 VanDerWaalsContact O-N 3.13Å; L513-G519 CarbonylContact O-C 3.55Å; L513-G519 VanDerWaalsContact O-C 3.32Å; L513-G519 WeakPolarHBondContact O-CA 3.47Å; L513-K520 PolarHBondContact O-N 3.32Å | ||
| 514 | N | 91.1 | Very high | 95 | Very high | 103 Ų | 103 | 24 Ų | 24 | 55% | 0.551 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.1 | -174.1 | 71.5 | -2.8 | 0 | 0 | 0 | 115.4 | L512 K516 K520 | L512-N514 PolarHBondContact O-N 3.13Å; N514-K516 VanDerWaalsContact C-N 3.33Å; N514-K520 HydrophobicContact CB-CD 3.98Å |
| 515 | T | 92 | Very high | 95.1 | Very high | 92 Ų | 92 | 24 Ų | 24 | 56% | 0.564 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -10 | 177.3 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | L513 | L513-T515 WeakPolarHBondContact CG-OG1 3.38Å; L513-T515 PolarHBondContact O-N 3.4Å; L513-T515 VanDerWaalsContact O-N 3.08Å |
| 516 | K | 92.7 | Very high | 95.1 | Very high | 72 Ų | 72 | 25.1 Ų | 25.1 | 31% | 0.313 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -118.7 | 142.2 | 179.8 | -62.6 | -65.9 | 172.8 | 148.7 | 0 | 110.5 | S502 L513 N514 I518 G519 K520 | S502-K516 WeakPolarHBondContact O-CD 3.38Å; S502-K516 WeakPolarHBondContact O-CE 3.48Å; S502-K516 PolarHBondContact O-NZ 2.85Å; L513-K516 HydrophobicContact CD2-CG 3.81Å; L513-K516 HydrophobicContact CG-CG 4.36Å; L513-K516 PolarHBondContact O-N 3.4Å; L513-K516 VanDerWaalsContact O-N 3.13Å; N514-K516 VanDerWaalsContact C-N 3.33Å; K516-I518 VanDerWaalsContact C-N 3.35Å; K516-I518 PolarHBondContact O-N 3.16Å; K516-G519 PolarHBondContact O-N 3.45Å; K516-K520 WeakPolarHBondContact O-CB 2.87Å; K516-K520 PolarHBondContact O-N 2.76Å |
| 517 | P | 93.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 28.4 Ų | 28.4 | 52% | 0.519 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -54.6 | -46 | -176.3 | -28 | 35.2 | 0 | 0 | 0 | 113.8 | K520 A521 | P517-K520 PolarHBondContact O-N 3.16Å; P517-A521 VanDerWaalsContact O-CB 3.26Å; P517-A521 WeakPolarHBondContact O-CB 3.24Å; P517-A521 PolarHBondContact O-N 3.32Å |
| 518 | I | 95.4 | Very high | 95 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | 178.6 | -178.9 | 164.7 | 0 | 0 | 0 | 112.6 | P505 A509 K516 A521 M522 V662 L666 | P505-I518 HydrophobicContact CB-CD1 4.04Å; A509-I518 HydrophobicContact CB-CD1 3.95Å; A509-I518 HydrophobicContact CB-CG1 3.87Å; K516-I518 VanDerWaalsContact C-N 3.35Å; K516-I518 PolarHBondContact O-N 3.16Å; I518-A521 PolarHBondContact O-N 3.46Å; I518-M522 PolarHBondContact O-N 3.42Å; I518-V662 HydrophobicContact CG1-CG1 4.45Å; I518-L666 HydrophobicContact CD1-CD2 3.98Å; I518-L666 HydrophobicContact CD1-CG 3.87Å |
| 519 | G | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.5 | -37.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S508 L512 L513 K516 M522 D523 | S508-G519 WeakPolarHBondContact O-CA 3.45Å; L512-G519 CarbonylContact C-O 3.44Å; L513-G519 CarbonylContact O-C 3.55Å; L513-G519 VanDerWaalsContact O-C 3.32Å; L513-G519 WeakPolarHBondContact O-CA 3.47Å; K516-G519 PolarHBondContact O-N 3.45Å; G519-M522 PolarHBondContact O-N 3.34Å; G519-D523 PolarHBondContact O-N 3.3Å |
| 520 | K | 96.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 173.2 | -177.7 | 61.2 | 177.6 | 171.7 | 0 | 111.9 | L513 N514 K516 P517 M522 D523 L524 D572 L574 | L513-K520 PolarHBondContact O-N 3.32Å; N514-K520 HydrophobicContact CB-CD 3.98Å; K516-K520 WeakPolarHBondContact O-CB 2.87Å; K516-K520 PolarHBondContact O-N 2.76Å; P517-K520 PolarHBondContact O-N 3.16Å; K520-M522 VanDerWaalsContact C-N 3.34Å; K520-M522 PolarHBondContact O-N 2.77Å; K520-D523 PolarHBondContact O-N 3.04Å; K520-L524 HydrophobicContact CD-CG 4.47Å; K520-L524 HydrophobicContact CG-CD1 4.38Å; K520-L524 VanDerWaalsContact O-CG 3.28Å; K520-L524 WeakPolarHBondContact O-CG 3.29Å; K520-L524 PolarHBondContact O-N 2.82Å; K520-D572 VanDerWaalsContact CE-CG 3.48Å; K520-D572 WeakPolarHBondContact CE-OD2 3.19Å; K520-D572 IonicContact NZ-OD2 2.74Å; K520-D572 PolarHBondContact NZ-OD2 2.86Å; K520-L574 HydrophobicContact CB-CD1 4.17Å; K520-L574 HydrophobicContact CG-CD1 3.78Å |
| 521 | A | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P517 I518 L524 L525 L574 L658 H661 V662 | P517-A521 VanDerWaalsContact O-CB 3.26Å; P517-A521 WeakPolarHBondContact O-CB 3.24Å; P517-A521 PolarHBondContact O-N 3.32Å; I518-A521 PolarHBondContact O-N 3.46Å; A521-L524 PolarHBondContact O-N 3.47Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 3.5Å; A521-L574 HydrophobicContact CB-CD1 4.32Å; A521-L658 HydrophobicContact CB-CB 4.42Å; A521-L658 HydrophobicContact CB-CD2 4.19Å; A521-H661 HydrophobicContact CB-CB 3.95Å; A521-V662 HydrophobicContact CB-CG2 3.76Å |
| 522 | M | 96.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 172.4 | -72.4 | -60.1 | -63.6 | 0 | 0 | 112.7 | A509 L512 I518 G519 K520 L524 L525 Y526 W659 V662 | A509-M522 HydrophobicContact CB-CG 4.03Å; L512-M522 HydrophobicContact CD2-CB 3.71Å; I518-M522 PolarHBondContact O-N 3.42Å; G519-M522 PolarHBondContact O-N 3.34Å; K520-M522 VanDerWaalsContact C-N 3.34Å; K520-M522 PolarHBondContact O-N 2.77Å; M522-L524 VanDerWaalsContact C-N 3.3Å; M522-L524 PolarHBondContact O-N 3.22Å; M522-L525 WeakPolarHBondContact O-CB 3.4Å; M522-L525 PolarHBondContact O-N 3.15Å; M522-L525 VanDerWaalsContact O-N 3.16Å; M522-L525 HydrophobicContact SD-CD1 4.04Å; M522-Y526 HydrophobicContact CE-CD2 4.18Å; M522-Y526 HydrophobicContact CE-CE2 3.61Å; M522-Y526 WeakPolarHBondContact O-CD2 3.37Å; M522-Y526 PolarHBondContact O-N 3.27Å; M522-W659 HydrophobicContact SD-CH2 4.4Å; M522-W659 HydrophobicContact SD-CZ3 4.13Å; M522-V662 HydrophobicContact CG-CG1 4.2Å; M522-V662 HydrophobicContact CG-CG2 3.72Å; M522-V662 HydrophobicContact SD-CB 4.24Å; M522-V662 HydrophobicContact SD-CG1 3.65Å; M522-V662 HydrophobicContact SD-CG2 3.58Å; M522-V662 VanDerWaalsContact SD-CG2 3.58Å |
| 523 | D | 95.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57 | -43.9 | 176.2 | 177.5 | 64.5 | 0 | 0 | 0 | 111.6 | L512 G519 K520 Y526 R527 | L512-D523 HydrophobicContact CB-CB 4.13Å; G519-D523 PolarHBondContact O-N 3.3Å; K520-D523 PolarHBondContact O-N 3.04Å; D523-Y526 PolarHBondContact O-N 3.19Å; D523-R527 VanDerWaalsContact CG-NE 3.27Å; D523-R527 WeakPolarHBondContact O-CB 3.48Å; D523-R527 VanDerWaalsContact O-CG 3.25Å; D523-R527 WeakPolarHBondContact O-CG 3.22Å; D523-R527 PolarHBondContact O-N 3.33Å; D523-R527 IonicContact OD1-CZ 2.78Å; D523-R527 IonicContact OD1-NE 2.76Å; D523-R527 PolarHBondContact OD1-NE 3.5Å; D523-R527 IonicContact OD1-NH2 2.86Å; D523-R527 PolarHBondContact OD1-NH2 3.38Å; D523-R527 IonicContact OD2-CZ 3.1Å; D523-R527 IonicContact OD2-NE 2.67Å; D523-R527 PolarHBondContact OD2-NE 2.99Å; D523-R527 VanDerWaalsContact OD2-NE 3.1Å |
| 524 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -39.4 | 176.5 | -65.8 | 174.7 | 0 | 0 | 0 | 112.1 | K520 A521 M522 G528 W568 I569 D572 L574 L658 | K520-L524 HydrophobicContact CD-CG 4.47Å; K520-L524 HydrophobicContact CG-CD1 4.38Å; K520-L524 VanDerWaalsContact O-CG 3.28Å; K520-L524 WeakPolarHBondContact O-CG 3.29Å; K520-L524 PolarHBondContact O-N 2.82Å; A521-L524 PolarHBondContact O-N 3.47Å; M522-L524 VanDerWaalsContact C-N 3.3Å; M522-L524 PolarHBondContact O-N 3.22Å; L524-G528 WeakPolarHBondContact O-CA 3.27Å; L524-G528 PolarHBondContact O-N 2.99Å; L524-W568 HydrophobicContact CD2-CZ3 4.08Å; L524-I569 HydrophobicContact CB-CG2 4.42Å; L524-I569 HydrophobicContact CD2-CB 4.45Å; L524-I569 HydrophobicContact CD2-CG1 4.31Å; L524-I569 HydrophobicContact CD2-CG2 4.12Å; L524-D572 HydrophobicContact CD1-CB 3.87Å; L524-D572 HydrophobicContact CD2-CB 4.31Å; L524-L574 HydrophobicContact CD1-CD1 4.27Å; L524-L658 HydrophobicContact CB-CD1 3.84Å; L524-L658 HydrophobicContact CB-CD2 4.2Å; L524-L658 HydrophobicContact CD1-CD2 3.88Å |
| 525 | L | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -52.2 | 173.9 | -78 | 165.6 | 0 | 0 | 0 | 110.9 | I372 A521 M522 R527 G528 T529 W651 A655 L658 W659 V662 | I372-L525 HydrophobicContact CD1-CB 3.91Å; A521-L525 WeakPolarHBondContact O-CG 3.38Å; A521-L525 PolarHBondContact O-N 3.5Å; M522-L525 WeakPolarHBondContact O-CB 3.4Å; M522-L525 PolarHBondContact O-N 3.15Å; M522-L525 VanDerWaalsContact O-N 3.16Å; M522-L525 HydrophobicContact SD-CD1 4.04Å; L525-R527 PolarHBondContact O-N 3.3Å; L525-G528 PolarHBondContact O-N 3.43Å; L525-T529 WeakPolarHBondContact O-CG2 3.42Å; L525-T529 PolarHBondContact O-N 3.08Å; L525-T529 PolarHBondContact O-OG1 3.42Å; L525-W651 HydrophobicContact CD2-CZ2 4.49Å; L525-A655 HydrophobicContact CD2-CB 4.26Å; L525-L658 HydrophobicContact CD1-CB 4.06Å; L525-L658 HydrophobicContact CD2-CB 3.86Å; L525-L658 HydrophobicContact CD2-CD1 3.99Å; L525-L658 HydrophobicContact CG-CB 3.73Å; L525-L658 HydrophobicContact CG-CD1 3.93Å; L525-L658 HydrophobicContact CG-CG 4.48Å; L525-W659 HydrophobicContact CD1-CD2 3.72Å; L525-W659 HydrophobicContact CD1-CE3 4Å; L525-W659 HydrophobicContact CD1-CG 4.2Å; L525-W659 HydrophobicContact CD1-CH2 4.33Å; L525-W659 HydrophobicContact CD1-CZ2 4.05Å; L525-W659 HydrophobicContact CD1-CZ3 4.3Å; L525-W659 HydrophobicContact CD2-CG 4.45Å; L525-V662 HydrophobicContact CD1-CG2 4.11Å |
| 526 | Y | 94.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 32.7 Ų | 32.7 | 13% | 0.129 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 179.1 | -89.5 | -79.7 | 0 | 0 | 0 | 112.7 | E369 I372 L512 M522 D523 T529 H530 L837 | E369-Y526 PolarHBondContact OE1-OH 3.46Å; I372-Y526 HydrophobicContact CD1-CD1 4.07Å; I372-Y526 HydrophobicContact CD1-CD2 4.05Å; I372-Y526 HydrophobicContact CD1-CE1 4.32Å; I372-Y526 HydrophobicContact CD1-CE2 4.32Å; I372-Y526 HydrophobicContact CD1-CG 3.93Å; I372-Y526 HydrophobicContact CG1-CD1 3.74Å; I372-Y526 HydrophobicContact CG1-CD2 4.22Å; I372-Y526 HydrophobicContact CG1-CE1 3.55Å; I372-Y526 HydrophobicContact CG1-CE2 4.07Å; I372-Y526 HydrophobicContact CG1-CG 4.08Å; L512-Y526 HydrophobicContact CD1-CD2 4.19Å; L512-Y526 HydrophobicContact CD1-CG 4.46Å; L512-Y526 HydrophobicContact CD2-CD2 3.46Å; L512-Y526 VanDerWaalsContact CD2-CD2 3.46Å; L512-Y526 HydrophobicContact CD2-CE2 3.7Å; L512-Y526 HydrophobicContact CD2-CG 4.45Å; L512-Y526 HydrophobicContact CG-CD2 4.48Å; M522-Y526 HydrophobicContact CE-CD2 4.18Å; M522-Y526 HydrophobicContact CE-CE2 3.61Å; M522-Y526 WeakPolarHBondContact O-CD2 3.37Å; M522-Y526 PolarHBondContact O-N 3.27Å; D523-Y526 PolarHBondContact O-N 3.19Å; Y526-T529 PolarHBondContact O-OG1 3.48Å; Y526-H530 WeakPolarHBondContact O-CB 3.49Å; Y526-H530 PolarHBondContact O-N 2.98Å; Y526-L837 HydrophobicContact CE1-CD1 4.49Å |
| 527 | R | 93.2 | Very high | 94.1 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.8 | -39.9 | 178.6 | -69.5 | 172.4 | -174.5 | -92.5 | -10.6 | 112.1 | D523 L525 S531 I569 | D523-R527 VanDerWaalsContact CG-NE 3.27Å; D523-R527 WeakPolarHBondContact O-CB 3.48Å; D523-R527 VanDerWaalsContact O-CG 3.25Å; D523-R527 WeakPolarHBondContact O-CG 3.22Å; D523-R527 PolarHBondContact O-N 3.33Å; D523-R527 IonicContact OD1-CZ 2.78Å; D523-R527 IonicContact OD1-NE 2.76Å; D523-R527 PolarHBondContact OD1-NE 3.5Å; D523-R527 IonicContact OD1-NH2 2.86Å; D523-R527 PolarHBondContact OD1-NH2 3.38Å; D523-R527 IonicContact OD2-CZ 3.1Å; D523-R527 IonicContact OD2-NE 2.67Å; D523-R527 PolarHBondContact OD2-NE 2.99Å; D523-R527 VanDerWaalsContact OD2-NE 3.1Å; L525-R527 PolarHBondContact O-N 3.3Å; R527-S531 WeakPolarHBondContact O-CB 3.43Å; R527-S531 PolarHBondContact O-N 2.97Å; R527-S531 PolarHBondContact O-OG 2.96Å; R527-I569 HydrophobicContact CB-CD1 3.82Å; R527-I569 HydrophobicContact CB-CG1 4.49Å |
| 528 | G | 94.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -75 | -46.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L524 L525 H530 S531 I532 I569 | L524-G528 WeakPolarHBondContact O-CA 3.27Å; L524-G528 PolarHBondContact O-N 2.99Å; L525-G528 PolarHBondContact O-N 3.43Å; G528-H530 VanDerWaalsContact C-N 3.27Å; G528-H530 PolarHBondContact O-N 3.26Å; G528-S531 PolarHBondContact O-N 3.1Å; G528-I532 WeakPolarHBondContact O-CB 3.36Å; G528-I532 WeakPolarHBondContact O-CD1 3.24Å; G528-I532 VanDerWaalsContact O-CG1 3.29Å; G528-I532 WeakPolarHBondContact O-CG1 3.28Å; G528-I532 PolarHBondContact O-N 3.02Å; G528-I569 VanDerWaalsContact CA-CD1 3.42Å |
| 529 | T | 94.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | 175.6 | 56 | 0 | 0 | 0 | 0 | 111.2 | I372 L525 Y526 A533 W651 | I372-T529 HydrophobicContact CD1-CG2 4.26Å; L525-T529 WeakPolarHBondContact O-CG2 3.42Å; L525-T529 PolarHBondContact O-N 3.08Å; L525-T529 PolarHBondContact O-OG1 3.42Å; Y526-T529 PolarHBondContact O-OG1 3.48Å; T529-A533 VanDerWaalsContact O-CB 3.29Å; T529-A533 WeakPolarHBondContact O-CB 3.44Å; T529-A533 PolarHBondContact O-N 3.42Å; T529-W651 HydrophobicContact CG2-CZ2 3.65Å; T529-W651 VanDerWaalsContact N-CZ2 3.33Å |
| 530 | H | 92.7 | Very high | 93.3 | Very high | 76 Ų | 76 | 32.8 Ų | 32.8 | 35% | 0.352 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.6 | -48.1 | 176.8 | -173.5 | 83.7 | 0 | 0 | 0 | 112.7 | Y526 G528 I532 A533 L534 | Y526-H530 WeakPolarHBondContact O-CB 3.49Å; Y526-H530 PolarHBondContact O-N 2.98Å; G528-H530 VanDerWaalsContact C-N 3.27Å; G528-H530 PolarHBondContact O-N 3.26Å; H530-I532 VanDerWaalsContact C-N 3.27Å; H530-I532 PolarHBondContact O-N 3.33Å; H530-A533 PolarHBondContact O-N 3.14Å; H530-L534 WeakPolarHBondContact O-CB 3.25Å; H530-L534 PolarHBondContact O-N 3.01Å |
| 531 | S | 93 | Very high | 92.8 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -37 | -179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | R527 G528 L535 T562 S565 | R527-S531 WeakPolarHBondContact O-CB 3.43Å; R527-S531 PolarHBondContact O-N 2.97Å; R527-S531 PolarHBondContact O-OG 2.96Å; G528-S531 PolarHBondContact O-N 3.1Å; S531-L535 PolarHBondContact O-N 2.74Å; S531-T562 WeakPolarHBondContact O-CG2 3.41Å; S531-S565 PolarHBondContact OG-OG 3.18Å |
| 532 | I | 93.5 | Very high | 92.3 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 8% | 0.082 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75.2 | -40.9 | -179.8 | -70.7 | 165.7 | 0 | 0 | 0 | 111.5 | G528 H530 L534 L535 R536 I566 L647 W651 | G528-I532 WeakPolarHBondContact O-CB 3.36Å; G528-I532 WeakPolarHBondContact O-CD1 3.24Å; G528-I532 VanDerWaalsContact O-CG1 3.29Å; G528-I532 WeakPolarHBondContact O-CG1 3.28Å; G528-I532 PolarHBondContact O-N 3.02Å; H530-I532 VanDerWaalsContact C-N 3.27Å; H530-I532 PolarHBondContact O-N 3.33Å; I532-L534 VanDerWaalsContact C-N 3.28Å; I532-L534 PolarHBondContact O-N 3.31Å; I532-L535 PolarHBondContact O-N 2.74Å; I532-R536 VanDerWaalsContact O-CB 3.28Å; I532-R536 WeakPolarHBondContact O-CB 3.39Å; I532-R536 PolarHBondContact O-N 2.8Å; I532-I566 HydrophobicContact CG1-CD1 4Å; I532-I566 HydrophobicContact CG1-CG1 4.31Å; I532-L647 HydrophobicContact CG1-CD1 4.45Å; I532-L647 HydrophobicContact CG1-CD2 4.23Å; I532-L647 HydrophobicContact CG1-CG 4.4Å; I532-L647 HydrophobicContact CG2-CD2 4.14Å; I532-L647 HydrophobicContact CG2-CG 4.48Å; I532-W651 HydrophobicContact CD1-CB 3.6Å; I532-W651 HydrophobicContact CD1-CD2 2.99Å; I532-W651 HydrophobicContact CD1-CE3 3.11Å; I532-W651 HydrophobicContact CD1-CG 3.19Å; I532-W651 HydrophobicContact CD1-CH2 4.43Å; I532-W651 HydrophobicContact CD1-CZ2 4.34Å; I532-W651 HydrophobicContact CD1-CZ3 3.86Å; I532-W651 HydrophobicContact CG1-CD2 4.45Å |
| 533 | A | 91.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 35.4 Ų | 35.4 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.1 | -41.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | L371 T529 H530 S537 | L371-A533 HydrophobicContact CD1-CB 4.38Å; L371-A533 HydrophobicContact CD2-CB 4.01Å; T529-A533 VanDerWaalsContact O-CB 3.29Å; T529-A533 WeakPolarHBondContact O-CB 3.44Å; T529-A533 PolarHBondContact O-N 3.42Å; H530-A533 PolarHBondContact O-N 3.14Å; A533-S537 PolarHBondContact O-N 3.27Å |
| 534 | L | 91.1 | Very high | 91.3 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64 | -49.4 | 176.1 | -177.5 | 63.2 | 0 | 0 | 0 | 111.8 | H530 I532 R536 S537 D538 T562 | H530-L534 WeakPolarHBondContact O-CB 3.25Å; H530-L534 PolarHBondContact O-N 3.01Å; I532-L534 VanDerWaalsContact C-N 3.28Å; I532-L534 PolarHBondContact O-N 3.31Å; L534-R536 VanDerWaalsContact C-N 3.33Å; L534-R536 PolarHBondContact O-N 3.04Å; L534-S537 WeakPolarHBondContact O-CB 3.48Å; L534-S537 PolarHBondContact O-N 2.94Å; L534-D538 PolarHBondContact O-N 3.02Å; L534-T562 HydrophobicContact CB-CG2 4.32Å; L534-T562 HydrophobicContact CD2-CG2 4.15Å; L534-T562 WeakPolarHBondContact CD2-OG1 3.44Å; L534-T562 HydrophobicContact CG-CG2 4.33Å |
| 535 | L | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 179.1 | -176.3 | 55.4 | 0 | 0 | 0 | 111.8 | S531 I532 S537 D538 L539 M559 T562 V563 I566 L647 | S531-L535 PolarHBondContact O-N 2.74Å; I532-L535 PolarHBondContact O-N 2.74Å; L535-S537 VanDerWaalsContact C-N 3.35Å; L535-S537 PolarHBondContact O-N 2.89Å; L535-D538 PolarHBondContact O-N 3.41Å; L535-L539 HydrophobicContact CD1-CD1 4.35Å; L535-L539 HydrophobicContact CD1-CG 4.2Å; L535-L539 HydrophobicContact CG-CD1 4.07Å; L535-L539 HydrophobicContact CG-CG 4.37Å; L535-L539 WeakPolarHBondContact O-CB 3.28Å; L535-L539 VanDerWaalsContact O-CG 3.29Å; L535-L539 WeakPolarHBondContact O-CG 3.34Å; L535-L539 PolarHBondContact O-N 3.44Å; L535-M559 HydrophobicContact CD1-CE 3.88Å; L535-M559 HydrophobicContact CD1-CG 4.48Å; L535-T562 HydrophobicContact CB-CG2 3.84Å; L535-V563 HydrophobicContact CD1-CG2 4.19Å; L535-V563 HydrophobicContact CD2-CG2 3.66Å; L535-I566 HydrophobicContact CB-CD1 4.28Å; L535-I566 HydrophobicContact CD2-CD1 3.58Å; L535-L647 HydrophobicContact CB-CD2 4.47Å; L535-L647 HydrophobicContact CD2-CD2 3.63Å; L535-L647 HydrophobicContact CG-CD2 4.22Å |
| 536 | R | 90.7 | Very high | 90.2 | Very high | 141 Ų | 141 | 45.5 Ų | 45.5 | 53% | 0.532 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -43 | 175.1 | 177.5 | 175.5 | 163.9 | 162.3 | -9.3 | 111.8 | I532 L534 D538 L539 A540 E648 | I532-R536 VanDerWaalsContact O-CB 3.28Å; I532-R536 WeakPolarHBondContact O-CB 3.39Å; I532-R536 PolarHBondContact O-N 2.8Å; L534-R536 VanDerWaalsContact C-N 3.33Å; L534-R536 PolarHBondContact O-N 3.04Å; R536-D538 VanDerWaalsContact C-N 3.31Å; R536-D538 PolarHBondContact O-N 3.49Å; R536-L539 PolarHBondContact O-N 2.89Å; R536-A540 VanDerWaalsContact O-CB 3.28Å; R536-A540 WeakPolarHBondContact O-CB 3.45Å; R536-A540 PolarHBondContact O-N 2.79Å; R536-E648 IonicContact CZ-OE1 2.84Å; R536-E648 IonicContact NE-OE1 2.83Å; R536-E648 IonicContact NH1-OE1 3.81Å; R536-E648 PolarHBondContact NH1-OE1 2.9Å |
| 537 | S | 89.9 | Confident | 89.6 | Confident | 67 Ų | 67 | 48.1 Ų | 48.1 | 47% | 0.469 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | A533 L534 L535 G541 | A533-S537 PolarHBondContact O-N 3.27Å; L534-S537 WeakPolarHBondContact O-CB 3.48Å; L534-S537 PolarHBondContact O-N 2.94Å; L535-S537 VanDerWaalsContact C-N 3.35Å; L535-S537 PolarHBondContact O-N 2.89Å; S537-G541 PolarHBondContact O-N 3.33Å; S537-G541 VanDerWaalsContact O-N 3.14Å |
| 538 | D | 89.2 | Confident | 89 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 177.1 | -69.2 | -15.4 | 0 | 0 | 0 | 112.3 | L534 L535 R536 L542 R545 M559 | L534-D538 PolarHBondContact O-N 3.02Å; L535-D538 PolarHBondContact O-N 3.41Å; R536-D538 VanDerWaalsContact C-N 3.31Å; R536-D538 PolarHBondContact O-N 3.49Å; D538-L542 PolarHBondContact O-N 2.9Å; D538-R545 VanDerWaalsContact CG-NH1 3.25Å; D538-R545 IonicContact OD1-CZ 3.2Å; D538-R545 IonicContact OD1-NH1 2.64Å; D538-R545 PolarHBondContact OD1-NH1 3.05Å; D538-R545 IonicContact OD1-NH2 2.85Å; D538-R545 PolarHBondContact OD1-NH2 2.74Å; D538-M559 HydrophobicContact CB-CG 4.33Å |
| 539 | L | 91 | Very high | 88.2 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.5 | -43.4 | 177 | -69.2 | 174.6 | 0 | 0 | 0 | 112.4 | L535 R536 G541 L542 M559 I591 L643 | L535-L539 HydrophobicContact CD1-CD1 4.35Å; L535-L539 HydrophobicContact CD1-CG 4.2Å; L535-L539 HydrophobicContact CG-CD1 4.07Å; L535-L539 HydrophobicContact CG-CG 4.37Å; L535-L539 WeakPolarHBondContact O-CB 3.28Å; L535-L539 VanDerWaalsContact O-CG 3.29Å; L535-L539 WeakPolarHBondContact O-CG 3.34Å; L535-L539 PolarHBondContact O-N 3.44Å; R536-L539 PolarHBondContact O-N 2.89Å; L539-G541 VanDerWaalsContact C-N 3.27Å; L539-G541 PolarHBondContact O-N 2.8Å; L539-L542 HydrophobicContact CD2-CD1 4.42Å; L539-L542 WeakPolarHBondContact O-CB 3.44Å; L539-L542 PolarHBondContact O-N 3.09Å; L539-M559 HydrophobicContact CD2-CE 3.47Å; L539-M559 VanDerWaalsContact CD2-CE 3.47Å; L539-M559 HydrophobicContact CG-CE 4.27Å; L539-I591 HydrophobicContact CD2-CD1 3.92Å; L539-L643 HydrophobicContact CD1-CB 4.49Å; L539-L643 HydrophobicContact CD1-CD2 4.26Å; L539-L643 HydrophobicContact CD1-CG 4.29Å |
| 540 | A | 88.5 | Confident | 87.6 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 74% | 0.744 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.9 | -30 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | R536 | R536-A540 VanDerWaalsContact O-CB 3.28Å; R536-A540 WeakPolarHBondContact O-CB 3.45Å; R536-A540 PolarHBondContact O-N 2.79Å |
| 541 | G | 86 | Confident | 87.2 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 8.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S537 L539 I543 Q544 R545 | S537-G541 PolarHBondContact O-N 3.33Å; S537-G541 VanDerWaalsContact O-N 3.14Å; L539-G541 VanDerWaalsContact C-N 3.27Å; L539-G541 PolarHBondContact O-N 2.8Å; G541-I543 PolarHBondContact O-N 3.02Å; G541-Q544 PolarHBondContact O-N 3.35Å; G541-R545 WeakPolarHBondContact O-CG 3.41Å; G541-R545 PolarHBondContact O-N 2.86Å |
| 542 | L | 86.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -49.7 | -166.3 | -172.3 | 138.5 | 0 | 0 | 0 | 112.8 | D538 L539 Q544 R545 L546 L555 L636 | D538-L542 PolarHBondContact O-N 2.9Å; L539-L542 HydrophobicContact CD2-CD1 4.42Å; L539-L542 WeakPolarHBondContact O-CB 3.44Å; L539-L542 PolarHBondContact O-N 3.09Å; L542-Q544 VanDerWaalsContact C-N 3.35Å; L542-Q544 PolarHBondContact O-N 3.38Å; L542-R545 PolarHBondContact O-N 3.46Å; L542-L546 HydrophobicContact CD2-CD1 3.56Å; L542-L546 HydrophobicContact CG-CD1 3.93Å; L542-L546 WeakPolarHBondContact O-CB 3.1Å; L542-L546 VanDerWaalsContact O-CG 3.31Å; L542-L546 WeakPolarHBondContact O-CG 3.45Å; L542-L546 PolarHBondContact O-N 3.21Å; L542-L555 HydrophobicContact CG-CD2 4.48Å; L542-L636 HydrophobicContact CD2-CB 3.75Å |
| 543 | I | 84.7 | Confident | 86.6 | Confident | 88 Ų | 88 | 58 Ų | 58 | 45% | 0.451 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 177.2 | -63.7 | 174.8 | 0 | 0 | 0 | 111 | G541 R545 L546 S547 I633 D637 | G541-I543 PolarHBondContact O-N 3.02Å; I543-R545 VanDerWaalsContact C-N 3.35Å; I543-R545 PolarHBondContact O-N 3.1Å; I543-L546 PolarHBondContact O-N 2.79Å; I543-S547 PolarHBondContact O-N 2.87Å; I543-S547 VanDerWaalsContact O-N 3.08Å; I543-I633 HydrophobicContact CG1-CG2 4.36Å; I543-D637 HydrophobicContact CD1-CB 4.07Å; I543-D637 HydrophobicContact CG1-CB 4.12Å |
| 544 | Q | 86 | Confident | 86.3 | Confident | 155 Ų | 155 | 58.8 Ų | 58.8 | 72% | 0.724 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | -177.7 | -172.2 | -179.3 | 15.4 | 0 | 0 | 111.5 | G541 L542 S547 | G541-Q544 PolarHBondContact O-N 3.35Å; L542-Q544 VanDerWaalsContact C-N 3.35Å; L542-Q544 PolarHBondContact O-N 3.38Å; Q544-S547 WeakPolarHBondContact O-CB 3.29Å; Q544-S547 PolarHBondContact O-N 2.69Å; Q544-S547 PolarHBondContact O-OG 2.78Å |
| 545 | R | 84.6 | Confident | 86.2 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 26% | 0.264 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.9 | -35.2 | 179.6 | -69.3 | 174.2 | -174.3 | -175.2 | 5.4 | 112.8 | D538 G541 L542 I543 S547 Q551 | D538-R545 VanDerWaalsContact CG-NH1 3.25Å; D538-R545 IonicContact OD1-CZ 3.2Å; D538-R545 IonicContact OD1-NH1 2.64Å; D538-R545 PolarHBondContact OD1-NH1 3.05Å; D538-R545 IonicContact OD1-NH2 2.85Å; D538-R545 PolarHBondContact OD1-NH2 2.74Å; G541-R545 WeakPolarHBondContact O-CG 3.41Å; G541-R545 PolarHBondContact O-N 2.86Å; L542-R545 PolarHBondContact O-N 3.46Å; I543-R545 VanDerWaalsContact C-N 3.35Å; I543-R545 PolarHBondContact O-N 3.1Å; R545-S547 VanDerWaalsContact C-N 3.25Å; R545-S547 PolarHBondContact O-N 3.5Å; R545-Q551 VanDerWaalsContact O-CB 3.27Å; R545-Q551 WeakPolarHBondContact O-CB 3.33Å; R545-Q551 WeakPolarHBondContact O-CG 3.14Å |
| 546 | L | 85.8 | Confident | 86 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -80.7 | -2.3 | 176.4 | -64.8 | 176.9 | 0 | 0 | 0 | 113.5 | L542 I543 A548 A552 L555 L595 L598 R629 I633 L636 | L542-L546 HydrophobicContact CD2-CD1 3.56Å; L542-L546 HydrophobicContact CG-CD1 3.93Å; L542-L546 WeakPolarHBondContact O-CB 3.1Å; L542-L546 VanDerWaalsContact O-CG 3.31Å; L542-L546 WeakPolarHBondContact O-CG 3.45Å; L542-L546 PolarHBondContact O-N 3.21Å; I543-L546 PolarHBondContact O-N 2.79Å; L546-A548 VanDerWaalsContact C-N 3.3Å; L546-A548 PolarHBondContact O-N 3.39Å; L546-A552 HydrophobicContact CD2-CB 4.15Å; L546-L555 HydrophobicContact CD2-CD2 3.95Å; L546-L555 HydrophobicContact CG-CD2 4.12Å; L546-L595 HydrophobicContact CD1-CD2 4.23Å; L546-L595 HydrophobicContact CD2-CD2 4.11Å; L546-L598 HydrophobicContact CD1-CD2 3.99Å; L546-L598 HydrophobicContact CD2-CD2 3.87Å; L546-L598 HydrophobicContact CG-CD2 4.37Å; L546-R629 PolarHBondContact O-NH2 2.93Å; L546-I633 HydrophobicContact CB-CG1 4.48Å; L546-L636 HydrophobicContact CD1-CD1 3.73Å |
| 547 | S | 82.4 | Confident | 85.9 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 62% | 0.615 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -37.9 | 174.9 | 69 | 0 | 0 | 0 | 0 | 111.9 | I543 Q544 R545 | I543-S547 PolarHBondContact O-N 2.87Å; I543-S547 VanDerWaalsContact O-N 3.08Å; Q544-S547 WeakPolarHBondContact O-CB 3.29Å; Q544-S547 PolarHBondContact O-N 2.69Å; Q544-S547 PolarHBondContact O-OG 2.78Å; R545-S547 VanDerWaalsContact C-N 3.25Å; R545-S547 PolarHBondContact O-N 3.5Å |
| 548 | A | 80.9 | Confident | 85.7 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 35% | 0.347 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -83.2 | 133.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L546 Q551 | L546-A548 VanDerWaalsContact C-N 3.3Å; L546-A548 PolarHBondContact O-N 3.39Å; A548-Q551 HydrophobicContact CB-CG 3.88Å; A548-Q551 WeakPolarHBondContact O-CG 3.46Å |
| 549 | P | 77.4 | Confident | 85.8 | Confident | 100 Ų | 100 | 59.2 Ų | 59.2 | 65% | 0.649 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 148.7 | 174.3 | 25.7 | -30.9 | 0 | 0 | 0 | 111.7 | E602 | P549-E602 WeakPolarHBondContact CA-OE1 3.49Š|
| 550 | G | 81.9 | Confident | 85.8 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 43% | 0.433 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 3.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P554 E602 | G550-P554 WeakPolarHBondContact O-CD 3.37Å; G550-E602 VanDerWaalsContact CA-OE2 3.24Å; G550-E602 WeakPolarHBondContact CA-OE2 3.44Å; G550-E602 PolarHBondContact N-OE1 2.85Å; G550-E602 PolarHBondContact N-OE2 2.9Å |
| 551 | Q | 86 | Confident | 86 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | trans | -90.7 | -12.2 | -179 | -62 | -57.2 | -57.7 | 0 | 0 | 113.8 | R545 A548 L555 | R545-Q551 VanDerWaalsContact O-CB 3.27Å; R545-Q551 WeakPolarHBondContact O-CB 3.33Å; R545-Q551 WeakPolarHBondContact O-CG 3.14Å; A548-Q551 HydrophobicContact CB-CG 3.88Å; A548-Q551 WeakPolarHBondContact O-CG 3.46Å; Q551-L555 WeakPolarHBondContact O-CB 3.49Å; Q551-L555 PolarHBondContact O-N 3.33Å; Q551-L555 VanDerWaalsContact O-N 3.13Å | ||
| 552 | A | 85.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L546 A556 L595 L598 | L546-A552 HydrophobicContact CD2-CB 4.15Å; A552-A556 WeakPolarHBondContact O-CB 3.29Å; A552-A556 PolarHBondContact O-N 2.87Å; A552-L595 HydrophobicContact CB-CD2 4.48Å; A552-L598 HydrophobicContact CB-CB 4.27Å; A552-L598 HydrophobicContact CB-CD2 4.03Å; A552-L598 HydrophobicContact CB-CG 4.08Å |
| 553 | E | 86.7 | Confident | 86.5 | Confident | 111 Ų | 111 | 65.3 Ų | 65.3 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.1 | -51.2 | -179.5 | 172.4 | 176.8 | -147.6 | 0 | 0 | 112.9 | L555 A556 E557 | E553-L555 PolarHBondContact O-N 3.36Å; E553-A556 WeakPolarHBondContact O-CB 3.27Å; E553-A556 PolarHBondContact O-N 3.44Å; E553-A556 VanDerWaalsContact O-N 3.07Å; E553-E557 PolarHBondContact O-N 3.19Å |
| 554 | P | 86.7 | Confident | 86.8 | Confident | 58 Ų | 58 | 63.4 Ų | 63.4 | 38% | 0.377 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.1 | -34.3 | 174.9 | -26.2 | 33.8 | 0 | 0 | 0 | 113.9 | G550 R558 | G550-P554 WeakPolarHBondContact O-CD 3.37Å; P554-R558 WeakPolarHBondContact O-CB 3.47Å; P554-R558 PolarHBondContact O-N 3.11Å |
| 555 | L | 87.6 | Confident | 87.1 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 175.4 | -176.6 | 61.5 | 0 | 0 | 0 | 111.2 | L542 L546 Q551 E553 R558 M559 L595 | L542-L555 HydrophobicContact CG-CD2 4.48Å; L546-L555 HydrophobicContact CD2-CD2 3.95Å; L546-L555 HydrophobicContact CG-CD2 4.12Å; Q551-L555 WeakPolarHBondContact O-CB 3.49Å; Q551-L555 PolarHBondContact O-N 3.33Å; Q551-L555 VanDerWaalsContact O-N 3.13Å; E553-L555 PolarHBondContact O-N 3.36Å; L555-R558 PolarHBondContact O-N 3.42Å; L555-M559 HydrophobicContact CD1-CG 4.17Å; L555-M559 HydrophobicContact CD1-SD 4.12Å; L555-M559 HydrophobicContact CD2-SD 4.5Å; L555-M559 HydrophobicContact CG-CG 4.4Å; L555-M559 HydrophobicContact CG-SD 3.95Å; L555-M559 WeakPolarHBondContact O-CB 3.31Å; L555-M559 WeakPolarHBondContact O-CG 3.36Å; L555-M559 PolarHBondContact O-N 2.82Å; L555-L595 HydrophobicContact CD2-CD2 4.4Å |
| 556 | A | 88 | Confident | 87.5 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | A552 E553 R558 M559 Q560 I592 L595 | A552-A556 WeakPolarHBondContact O-CB 3.29Å; A552-A556 PolarHBondContact O-N 2.87Å; E553-A556 WeakPolarHBondContact O-CB 3.27Å; E553-A556 PolarHBondContact O-N 3.44Å; E553-A556 VanDerWaalsContact O-N 3.07Å; A556-R558 VanDerWaalsContact C-N 3.35Å; A556-R558 PolarHBondContact O-N 3.07Å; A556-M559 PolarHBondContact O-N 3.49Å; A556-Q560 VanDerWaalsContact O-CB 3.29Å; A556-Q560 WeakPolarHBondContact O-CB 3.41Å; A556-Q560 PolarHBondContact O-N 2.85Å; A556-I592 HydrophobicContact CB-CD1 4.08Å; A556-L595 HydrophobicContact CB-CB 4.08Å; A556-L595 HydrophobicContact CB-CD1 3.81Å |
| 557 | E | 88.5 | Confident | 87.8 | Confident | 132 Ų | 132 | 56.4 Ų | 56.4 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 178 | -68.7 | -172.7 | 159.2 | 0 | 0 | 112.3 | E553 Q560 K561 | E553-E557 PolarHBondContact O-N 3.19Å; E557-Q560 PolarHBondContact O-N 2.85Å; E557-K561 PolarHBondContact O-N 3.16Å; E557-K561 VanDerWaalsContact O-N 3.09Å |
| 558 | R | 87.1 | Confident | 88.4 | Confident | 132 Ų | 132 | 58.1 Ų | 58.1 | 50% | 0.498 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 177.3 | -177 | -174.3 | -59.5 | -169.4 | 2 | 111.3 | P554 L555 A556 Q560 K561 T562 | P554-R558 WeakPolarHBondContact O-CB 3.47Å; P554-R558 PolarHBondContact O-N 3.11Å; L555-R558 PolarHBondContact O-N 3.42Å; A556-R558 VanDerWaalsContact C-N 3.35Å; A556-R558 PolarHBondContact O-N 3.07Å; R558-Q560 VanDerWaalsContact C-N 3.34Å; R558-Q560 PolarHBondContact O-N 3.49Å; R558-K561 PolarHBondContact O-N 2.83Å; R558-T562 PolarHBondContact O-N 2.72Å; R558-T562 VanDerWaalsContact O-N 3.15Å; R558-T562 PolarHBondContact O-OG1 3.42Å |
| 559 | M | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 179.8 | -71.2 | -179.9 | 71.2 | 0 | 0 | 111.3 | L535 D538 L539 L555 A556 K561 T562 V563 F588 I591 L595 | L535-M559 HydrophobicContact CD1-CE 3.88Å; L535-M559 HydrophobicContact CD1-CG 4.48Å; D538-M559 HydrophobicContact CB-CG 4.33Å; L539-M559 HydrophobicContact CD2-CE 3.47Å; L539-M559 VanDerWaalsContact CD2-CE 3.47Å; L539-M559 HydrophobicContact CG-CE 4.27Å; L555-M559 HydrophobicContact CD1-CG 4.17Å; L555-M559 HydrophobicContact CD1-SD 4.12Å; L555-M559 HydrophobicContact CD2-SD 4.5Å; L555-M559 HydrophobicContact CG-CG 4.4Å; L555-M559 HydrophobicContact CG-SD 3.95Å; L555-M559 WeakPolarHBondContact O-CB 3.31Å; L555-M559 WeakPolarHBondContact O-CG 3.36Å; L555-M559 PolarHBondContact O-N 2.82Å; A556-M559 PolarHBondContact O-N 3.49Å; M559-K561 VanDerWaalsContact C-N 3.31Å; M559-K561 PolarHBondContact O-N 3.08Å; M559-T562 PolarHBondContact O-N 2.83Å; M559-T562 VanDerWaalsContact O-N 3.16Å; M559-V563 WeakPolarHBondContact O-CG2 3.25Å; M559-V563 PolarHBondContact O-N 2.94Å; M559-F588 HydrophobicContact CB-CE2 3.99Å; M559-F588 HydrophobicContact CB-CZ 4.3Å; M559-F588 HydrophobicContact CE-CE2 4.38Å; M559-I591 HydrophobicContact CE-CD1 4.42Å; M559-I591 HydrophobicContact CE-CG2 3.98Å; M559-L595 HydrophobicContact SD-CD1 4.23Å |
| 560 | Q | 92.6 | Very high | 89.7 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57 | -44.7 | 175.3 | -175.7 | 66.7 | 55.2 | 0 | 0 | 111.5 | A556 E557 R558 T562 V563 S564 F588 | A556-Q560 VanDerWaalsContact O-CB 3.29Å; A556-Q560 WeakPolarHBondContact O-CB 3.41Å; A556-Q560 PolarHBondContact O-N 2.85Å; E557-Q560 PolarHBondContact O-N 2.85Å; R558-Q560 VanDerWaalsContact C-N 3.34Å; R558-Q560 PolarHBondContact O-N 3.49Å; Q560-T562 PolarHBondContact O-N 3.07Å; Q560-V563 PolarHBondContact O-N 3.49Å; Q560-S564 PolarHBondContact NE2-OG 3.43Å; Q560-S564 VanDerWaalsContact O-CB 3.28Å; Q560-S564 WeakPolarHBondContact O-CB 3.5Å; Q560-S564 PolarHBondContact O-N 2.88Å; Q560-S564 PolarHBondContact O-OG 3.02Å; Q560-F588 HydrophobicContact CB-CZ 4.3Å; Q560-F588 VanDerWaalsContact OE1-CE1 3.28Å |
| 561 | K | 90.9 | Very high | 90.2 | Very high | 164 Ų | 164 | 53.5 Ų | 53.5 | 71% | 0.713 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 177.3 | -172.7 | -179.6 | 178.9 | -176.4 | 0 | 112.1 | E557 R558 M559 S565 | E557-K561 PolarHBondContact O-N 3.16Å; E557-K561 VanDerWaalsContact O-N 3.09Å; R558-K561 PolarHBondContact O-N 2.83Å; M559-K561 VanDerWaalsContact C-N 3.31Å; M559-K561 PolarHBondContact O-N 3.08Å; K561-S565 PolarHBondContact O-N 3.47Å |
| 562 | T | 91.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.4 | -45.9 | 178.4 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | S531 L534 L535 R558 M559 Q560 S565 I566 | S531-T562 WeakPolarHBondContact O-CG2 3.41Å; L534-T562 HydrophobicContact CB-CG2 4.32Å; L534-T562 HydrophobicContact CD2-CG2 4.15Å; L534-T562 WeakPolarHBondContact CD2-OG1 3.44Å; L534-T562 HydrophobicContact CG-CG2 4.33Å; L535-T562 HydrophobicContact CB-CG2 3.84Å; R558-T562 PolarHBondContact O-N 2.72Å; R558-T562 VanDerWaalsContact O-N 3.15Å; R558-T562 PolarHBondContact O-OG1 3.42Å; M559-T562 PolarHBondContact O-N 2.83Å; M559-T562 VanDerWaalsContact O-N 3.16Å; Q560-T562 PolarHBondContact O-N 3.07Å; T562-S565 VanDerWaalsContact O-CB 3.28Å; T562-S565 WeakPolarHBondContact O-CB 3.35Å; T562-S565 PolarHBondContact O-N 2.87Å; T562-I566 HydrophobicContact CG2-CD1 4.44Å; T562-I566 WeakPolarHBondContact O-CG1 3.22Å; T562-I566 PolarHBondContact O-N 3.36Å; T562-I566 VanDerWaalsContact O-N 3.12Å |
| 563 | V | 91.7 | Very high | 91 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 178.4 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L535 M559 Q560 S565 I566 Q567 F588 | L535-V563 HydrophobicContact CD1-CG2 4.19Å; L535-V563 HydrophobicContact CD2-CG2 3.66Å; M559-V563 WeakPolarHBondContact O-CG2 3.25Å; M559-V563 PolarHBondContact O-N 2.94Å; Q560-V563 PolarHBondContact O-N 3.49Å; V563-S565 PolarHBondContact O-N 3.2Å; V563-I566 CarbonylContact O-C 3.57Å; V563-I566 WeakPolarHBondContact O-CA 3.35Å; V563-I566 WeakPolarHBondContact O-CB 3.28Å; V563-I566 PolarHBondContact O-N 3.19Å; V563-Q567 HydrophobicContact CG1-CG 4.02Å; V563-Q567 WeakPolarHBondContact O-CB 3.38Å; V563-Q567 WeakPolarHBondContact O-CG 3.49Å; V563-Q567 PolarHBondContact O-N 2.92Å; V563-F588 HydrophobicContact CB-CD1 3.98Å; V563-F588 HydrophobicContact CB-CD2 4.3Å; V563-F588 HydrophobicContact CB-CE1 3.82Å; V563-F588 HydrophobicContact CB-CE2 4.19Å; V563-F588 HydrophobicContact CB-CG 4.19Å; V563-F588 HydrophobicContact CB-CZ 3.93Å; V563-F588 HydrophobicContact CG1-CB 4.27Å; V563-F588 HydrophobicContact CG1-CD1 3.55Å; V563-F588 HydrophobicContact CG1-CD2 4.38Å; V563-F588 HydrophobicContact CG1-CE1 3.87Å; V563-F588 HydrophobicContact CG1-CG 3.8Å; V563-F588 HydrophobicContact CG1-CZ 4.43Å; V563-F588 HydrophobicContact CG2-CD1 4.19Å; V563-F588 HydrophobicContact CG2-CD2 3.61Å; V563-F588 HydrophobicContact CG2-CE1 4.14Å; V563-F588 HydrophobicContact CG2-CE2 3.6Å; V563-F588 HydrophobicContact CG2-CG 3.9Å; V563-F588 HydrophobicContact CG2-CZ 3.86Å |
| 564 | S | 92 | Very high | 91.3 | Very high | 49 Ų | 49 | 56 Ų | 56 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.4 | -36.8 | 174.4 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | Q560 W568 | Q560-S564 PolarHBondContact NE2-OG 3.43Å; Q560-S564 VanDerWaalsContact O-CB 3.28Å; Q560-S564 WeakPolarHBondContact O-CB 3.5Å; Q560-S564 PolarHBondContact O-N 2.88Å; Q560-S564 PolarHBondContact O-OG 3.02Å; S564-W568 WeakPolarHBondContact O-CB 3.14Å; S564-W568 PolarHBondContact O-N 3.21Å |
| 565 | S | 91.9 | Very high | 91.6 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 172.7 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | S531 K561 T562 V563 W568 I569 | S531-S565 PolarHBondContact OG-OG 3.18Å; K561-S565 PolarHBondContact O-N 3.47Å; T562-S565 VanDerWaalsContact O-CB 3.28Å; T562-S565 WeakPolarHBondContact O-CB 3.35Å; T562-S565 PolarHBondContact O-N 2.87Å; V563-S565 PolarHBondContact O-N 3.2Å; S565-W568 PolarHBondContact O-N 3.13Å; S565-I569 WeakPolarHBondContact O-CG1 3.46Å; S565-I569 PolarHBondContact O-N 2.68Å; S565-I569 VanDerWaalsContact O-N 3.12Å |
| 566 | I | 93.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 177.1 | -65.2 | 169.2 | 0 | 0 | 0 | 111.3 | I532 L535 T562 V563 W568 I569 F570 L647 | I532-I566 HydrophobicContact CG1-CD1 4Å; I532-I566 HydrophobicContact CG1-CG1 4.31Å; L535-I566 HydrophobicContact CB-CD1 4.28Å; L535-I566 HydrophobicContact CD2-CD1 3.58Å; T562-I566 HydrophobicContact CG2-CD1 4.44Å; T562-I566 WeakPolarHBondContact O-CG1 3.22Å; T562-I566 PolarHBondContact O-N 3.36Å; T562-I566 VanDerWaalsContact O-N 3.12Å; V563-I566 CarbonylContact O-C 3.57Å; V563-I566 WeakPolarHBondContact O-CA 3.35Å; V563-I566 WeakPolarHBondContact O-CB 3.28Å; V563-I566 PolarHBondContact O-N 3.19Å; I566-W568 VanDerWaalsContact C-N 3.31Å; I566-W568 PolarHBondContact O-N 2.87Å; I566-I569 WeakPolarHBondContact O-CB 3.2Å; I566-I569 PolarHBondContact O-N 3.1Å; I566-I569 VanDerWaalsContact O-N 3.12Å; I566-F570 HydrophobicContact CG2-CD2 3.8Å; I566-F570 HydrophobicContact CG2-CE1 4.09Å; I566-F570 HydrophobicContact CG2-CE2 3.28Å; I566-F570 HydrophobicContact CG2-CG 4.4Å; I566-F570 HydrophobicContact CG2-CZ 3.46Å; I566-F570 VanDerWaalsContact CG2-CZ 3.46Å; I566-F570 WeakPolarHBondContact O-CG 3.47Å; I566-F570 PolarHBondContact O-N 3.42Å; I566-L647 HydrophobicContact CD1-CD1 4.4Å; I566-L647 HydrophobicContact CD1-CD2 4.41Å; I566-L647 HydrophobicContact CG2-CD1 4.18Å |
| 567 | Q | 92.5 | Very high | 91.5 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 20% | 0.201 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 177.2 | -73 | 174.5 | -36.6 | 0 | 0 | 111.4 | V563 I569 F570 S571 L581 S585 | V563-Q567 HydrophobicContact CG1-CG 4.02Å; V563-Q567 WeakPolarHBondContact O-CB 3.38Å; V563-Q567 WeakPolarHBondContact O-CG 3.49Å; V563-Q567 PolarHBondContact O-N 2.92Å; Q567-I569 VanDerWaalsContact C-N 3.34Å; Q567-I569 PolarHBondContact O-N 3.33Å; Q567-F570 PolarHBondContact O-N 2.89Å; Q567-S571 WeakPolarHBondContact O-CB 3.41Å; Q567-S571 PolarHBondContact O-N 3.46Å; Q567-L581 HydrophobicContact CB-CD1 3.67Å; Q567-L581 HydrophobicContact CG-CD1 3.66Å; Q567-S585 PolarHBondContact NE2-OG 3.42Å |
| 568 | W | 93.3 | Very high | 91.5 | Very high | 124 Ų | 124 | 60.1 Ų | 60.1 | 47% | 0.47 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 174 | 178.3 | 82 | 0 | 0 | 0 | 111.9 | L524 S564 S565 I566 S571 | L524-W568 HydrophobicContact CD2-CZ3 4.08Å; S564-W568 WeakPolarHBondContact O-CB 3.14Å; S564-W568 PolarHBondContact O-N 3.21Å; S565-W568 PolarHBondContact O-N 3.13Å; I566-W568 VanDerWaalsContact C-N 3.31Å; I566-W568 PolarHBondContact O-N 2.87Å; W568-S571 PolarHBondContact O-N 3.22Å; W568-S571 PolarHBondContact O-OG 2.81Å |
| 569 | I | 93.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.4 | -66.5 | 167.6 | 0 | 0 | 0 | 110.3 | L524 R527 G528 S565 I566 Q567 S571 D572 L575 W651 | L524-I569 HydrophobicContact CB-CG2 4.42Å; L524-I569 HydrophobicContact CD2-CB 4.45Å; L524-I569 HydrophobicContact CD2-CG1 4.31Å; L524-I569 HydrophobicContact CD2-CG2 4.12Å; R527-I569 HydrophobicContact CB-CD1 3.82Å; R527-I569 HydrophobicContact CB-CG1 4.49Å; G528-I569 VanDerWaalsContact CA-CD1 3.42Å; S565-I569 WeakPolarHBondContact O-CG1 3.46Å; S565-I569 PolarHBondContact O-N 2.68Å; S565-I569 VanDerWaalsContact O-N 3.12Å; I566-I569 WeakPolarHBondContact O-CB 3.2Å; I566-I569 PolarHBondContact O-N 3.1Å; I566-I569 VanDerWaalsContact O-N 3.12Å; Q567-I569 VanDerWaalsContact C-N 3.34Å; Q567-I569 PolarHBondContact O-N 3.33Å; I569-S571 PolarHBondContact O-N 2.95Å; I569-D572 VanDerWaalsContact O-CB 3.23Å; I569-D572 WeakPolarHBondContact O-CB 3.08Å; I569-D572 PolarHBondContact O-N 3.26Å; I569-L575 HydrophobicContact CG2-CD1 4.31Å; I569-L575 WeakPolarHBondContact O-CD1 3.46Å; I569-W651 HydrophobicContact CG2-CZ3 4.47Å |
| 570 | F | 93.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 4% | 0.044 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.1 | -18.1 | -177.9 | -64.5 | -10.2 | 0 | 0 | 0 | 113.8 | I566 Q567 D572 L575 V580 L581 V584 L647 I650 W651 V654 | I566-F570 HydrophobicContact CG2-CD2 3.8Å; I566-F570 HydrophobicContact CG2-CE1 4.09Å; I566-F570 HydrophobicContact CG2-CE2 3.28Å; I566-F570 HydrophobicContact CG2-CG 4.4Å; I566-F570 HydrophobicContact CG2-CZ 3.46Å; I566-F570 VanDerWaalsContact CG2-CZ 3.46Å; I566-F570 WeakPolarHBondContact O-CG 3.47Å; I566-F570 PolarHBondContact O-N 3.42Å; Q567-F570 PolarHBondContact O-N 2.89Å; F570-D572 VanDerWaalsContact C-N 3.26Å; F570-L575 HydrophobicContact CD1-CD1 4.35Å; F570-V580 HydrophobicContact CB-CG2 4.03Å; F570-V580 HydrophobicContact CD1-CG2 4.48Å; F570-V580 HydrophobicContact CD2-CG2 3.92Å; F570-V580 HydrophobicContact CG-CG2 3.89Å; F570-L581 HydrophobicContact CB-CD1 4.35Å; F570-V584 HydrophobicContact CD2-CG2 4.42Å; F570-V584 HydrophobicContact CE2-CG2 4.02Å; F570-L647 HydrophobicContact CE2-CD1 4.37Å; F570-L647 HydrophobicContact CZ-CD1 4.42Å; F570-I650 HydrophobicContact CD2-CG2 4.44Å; F570-I650 HydrophobicContact CE2-CG2 3.72Å; F570-I650 HydrophobicContact CZ-CG2 3.82Å; F570-W651 AromaticContact CE1-CE3 3.92Å; F570-W651 HydrophobicContact CE1-CE3 3.92Å; F570-W651 HydrophobicContact CE1-CZ3 4.13Å; F570-W651 HydrophobicContact CZ-CE3 4.31Å; F570-V654 HydrophobicContact CD1-CG1 4.34Å; F570-V654 HydrophobicContact CD1-CG2 3.99Å; F570-V654 HydrophobicContact CE1-CB 4.26Å; F570-V654 HydrophobicContact CE1-CG1 4.04Å; F570-V654 HydrophobicContact CE1-CG2 3.78Å; F570-V654 HydrophobicContact CZ-CG2 4.4Å |
| 571 | S | 92.5 | Very high | 91 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -6.7 | 172.8 | 76 | 0 | 0 | 0 | 0 | 113.9 | Q567 W568 I569 | Q567-S571 WeakPolarHBondContact O-CB 3.41Å; Q567-S571 PolarHBondContact O-N 3.46Å; W568-S571 PolarHBondContact O-N 3.22Å; W568-S571 PolarHBondContact O-OG 2.81Å; I569-S571 PolarHBondContact O-N 2.95Å |
| 572 | D | 94.3 | Very high | 90.9 | Very high | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -66.3 | 144.7 | -177.4 | -161.3 | -84.3 | 0 | 0 | 0 | 112.3 | K520 L524 I569 F570 L574 L575 S576 | K520-D572 VanDerWaalsContact CE-CG 3.48Å; K520-D572 WeakPolarHBondContact CE-OD2 3.19Å; K520-D572 IonicContact NZ-OD2 2.74Å; K520-D572 PolarHBondContact NZ-OD2 2.86Å; L524-D572 HydrophobicContact CD1-CB 3.87Å; L524-D572 HydrophobicContact CD2-CB 4.31Å; I569-D572 VanDerWaalsContact O-CB 3.23Å; I569-D572 WeakPolarHBondContact O-CB 3.08Å; I569-D572 PolarHBondContact O-N 3.26Å; F570-D572 VanDerWaalsContact C-N 3.26Å; D572-L574 PolarHBondContact O-N 3.22Å; D572-L574 VanDerWaalsContact O-N 3.16Å; D572-L574 PolarHBondContact OD1-N 3Å; D572-L574 VanDerWaalsContact OD1-N 3.15Å; D572-L575 PolarHBondContact O-N 3.38Å; D572-S576 PolarHBondContact O-N 3.09Å |
| 573 | K | 92.8 | Very high | 90.8 | Very high | 186 Ų | 186 | 59.6 Ų | 59.6 | 81% | 0.809 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -58.4 | -32.3 | -176.6 | -66.8 | -175.7 | 179.9 | -178.1 | 0 | 112.7 | L575 S576 | K573-L575 PolarHBondContact O-N 3.23Å; K573-S576 WeakPolarHBondContact O-CB 3.36Å; K573-S576 PolarHBondContact O-N 2.87Å; K573-S576 PolarHBondContact O-OG 2.9Å |
| 574 | L | 92.7 | Very high | 90.5 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63 | -21.6 | 177.3 | -65.2 | -179.8 | 0 | 0 | 0 | 113.1 | K520 A521 L524 D572 | K520-L574 HydrophobicContact CB-CD1 4.17Å; K520-L574 HydrophobicContact CG-CD1 3.78Å; A521-L574 HydrophobicContact CB-CD1 4.32Å; L524-L574 HydrophobicContact CD1-CD1 4.27Å; D572-L574 PolarHBondContact O-N 3.22Å; D572-L574 VanDerWaalsContact O-N 3.16Å; D572-L574 PolarHBondContact OD1-N 3Å; D572-L574 VanDerWaalsContact OD1-N 3.15Å |
| 575 | L | 93.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -109.6 | 3.4 | -175.9 | -59.5 | 177 | 0 | 0 | 0 | 113.4 | I569 F570 D572 K573 N577 L578 V654 V657 L658 | I569-L575 HydrophobicContact CG2-CD1 4.31Å; I569-L575 WeakPolarHBondContact O-CD1 3.46Å; F570-L575 HydrophobicContact CD1-CD1 4.35Å; D572-L575 PolarHBondContact O-N 3.38Å; K573-L575 PolarHBondContact O-N 3.23Å; L575-N577 PolarHBondContact O-N 3.14Å; L575-L578 HydrophobicContact CD2-CD1 4.11Å; L575-L578 PolarHBondContact O-N 3.36Å; L575-V654 HydrophobicContact CD1-CG1 3.54Å; L575-V654 HydrophobicContact CD1-CG2 4.37Å; L575-V654 HydrophobicContact CD2-CB 4.47Å; L575-V654 HydrophobicContact CD2-CG1 3.86Å; L575-V654 HydrophobicContact CG-CG1 4.37Å; L575-V657 HydrophobicContact CD2-CB 4.22Å; L575-V657 HydrophobicContact CD2-CG1 4.08Å; L575-L658 HydrophobicContact CD2-CD2 3.86Å; L575-L658 HydrophobicContact CD2-CG 4.04Å; L575-L658 HydrophobicContact CG-CD2 4.32Å |
| 576 | S | 86.7 | Confident | 90.5 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 58% | 0.58 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -52.2 | -30.9 | -175.5 | 52 | 0 | 0 | 0 | 0 | 114.2 | D572 K573 L578 | D572-S576 PolarHBondContact O-N 3.09Å; K573-S576 WeakPolarHBondContact O-CB 3.36Å; K573-S576 PolarHBondContact O-N 2.87Å; K573-S576 PolarHBondContact O-OG 2.9Å; S576-L578 VanDerWaalsContact C-N 3.34Å; S576-L578 PolarHBondContact O-N 3.26Å |
| 577 | N | 87.1 | Confident | 90.3 | Very high | 158 Ų | 158 | 61.3 Ų | 61.3 | 85% | 0.845 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -73.5 | -17.2 | -179.6 | -67.2 | -24.8 | 0 | 0 | 0 | 114.9 | L575 | L575-N577 PolarHBondContact O-N 3.14Š|
| 578 | L | 88.5 | Confident | 90.2 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -84.4 | -23.1 | -174.6 | -66.7 | 176.8 | 0 | 0 | 0 | 113.5 | L575 S576 V580 V654 V657 | L575-L578 HydrophobicContact CD2-CD1 4.11Å; L575-L578 PolarHBondContact O-N 3.36Å; S576-L578 VanDerWaalsContact C-N 3.34Å; S576-L578 PolarHBondContact O-N 3.26Å; L578-V580 VanDerWaalsContact C-N 3.27Å; L578-V580 HydrophobicContact CB-CG1 3.83Å; L578-V580 HydrophobicContact CB-CG2 4.45Å; L578-V580 PolarHBondContact O-N 3.36Å; L578-V654 HydrophobicContact CD1-CB 4.29Å; L578-V654 HydrophobicContact CD1-CG2 3.66Å; L578-V657 HydrophobicContact CD1-CG2 4.02Å; L578-V657 HydrophobicContact CD2-CG2 4.12Å; L578-V657 HydrophobicContact CG-CG2 4.3Å |
| 579 | N | 86.5 | Confident | 90.2 | Very high | 128 Ų | 128 | 58.1 Ų | 58.1 | 68% | 0.684 | 32% | 0.321 | S | S | * | . | trans | 47.7 | 42.2 | -178.6 | -165 | 27.6 | 0 | 0 | 0 | 114.8 | ||||
| 580 | V | 86 | Confident | 90.1 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | trans | -88.7 | -18.3 | -172.1 | -69 | 0 | 0 | 0 | 0 | 114.6 | F570 L578 I583 V584 I650 V654 | F570-V580 HydrophobicContact CB-CG2 4.03Å; F570-V580 HydrophobicContact CD1-CG2 4.48Å; F570-V580 HydrophobicContact CD2-CG2 3.92Å; F570-V580 HydrophobicContact CG-CG2 3.89Å; L578-V580 VanDerWaalsContact C-N 3.27Å; L578-V580 HydrophobicContact CB-CG1 3.83Å; L578-V580 HydrophobicContact CB-CG2 4.45Å; L578-V580 PolarHBondContact O-N 3.36Å; V580-I583 PolarHBondContact O-N 3.24Å; V580-V584 PolarHBondContact O-N 3.03Å; V580-I650 HydrophobicContact CB-CD1 4.29Å; V580-I650 HydrophobicContact CB-CG1 4.39Å; V580-I650 HydrophobicContact CB-CG2 3.63Å; V580-I650 HydrophobicContact CG1-CB 4.49Å; V580-I650 HydrophobicContact CG1-CG1 4.18Å; V580-I650 HydrophobicContact CG1-CG2 3.78Å; V580-I650 HydrophobicContact CG2-CG2 3.94Å; V580-V654 HydrophobicContact CG2-CG2 4.27Å | ||
| 581 | L | 86.9 | Confident | 90 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 31% | 0.314 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | -172.9 | -173.9 | 67.1 | 0 | 0 | 0 | 114.4 | Q567 F570 I583 S585 | Q567-L581 HydrophobicContact CB-CD1 3.67Å; Q567-L581 HydrophobicContact CG-CD1 3.66Å; F570-L581 HydrophobicContact CB-CD1 4.35Å; L581-I583 VanDerWaalsContact C-N 3.29Å; L581-I583 PolarHBondContact O-N 2.92Å; L581-S585 WeakPolarHBondContact O-CB 3.48Å; L581-S585 PolarHBondContact O-N 3.46Å; L581-S585 VanDerWaalsContact O-N 3.1Å; L581-S585 PolarHBondContact O-OG 3.1Å |
| 582 | P | 89.7 | Confident | 89.9 | Confident | 75 Ų | 75 | 58.5 Ų | 58.5 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.3 | -35.2 | -179.4 | -23.2 | 35 | 0 | 0 | 0 | 113.2 | C586 | P582-C586 WeakPolarHBondContact O-CB 3.31Å; P582-C586 PolarHBondContact O-N 2.94Å |
| 583 | I | 87.5 | Confident | 89.8 | Confident | 87 Ų | 87 | 60.7 Ų | 60.7 | 45% | 0.446 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.9 | -50.7 | -176.2 | -56.4 | 175 | 0 | 0 | 0 | 110 | V580 L581 S585 C586 D587 T646 I650 | V580-I583 PolarHBondContact O-N 3.24Å; L581-I583 VanDerWaalsContact C-N 3.29Å; L581-I583 PolarHBondContact O-N 2.92Å; I583-S585 VanDerWaalsContact C-N 3.33Å; I583-S585 PolarHBondContact O-N 3.03Å; I583-C586 PolarHBondContact O-N 3.24Å; I583-D587 PolarHBondContact O-N 2.96Å; I583-D587 VanDerWaalsContact O-N 3.14Å; I583-T646 HydrophobicContact CG2-CG2 3.62Å; I583-I650 HydrophobicContact CB-CD1 4.15Å; I583-I650 HydrophobicContact CG2-CD1 4.07Å |
| 584 | V | 86.9 | Confident | 89.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 180 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | F570 V580 F588 L643 L647 I650 | F570-V584 HydrophobicContact CD2-CG2 4.42Å; F570-V584 HydrophobicContact CE2-CG2 4.02Å; V580-V584 PolarHBondContact O-N 3.03Å; V584-F588 VanDerWaalsContact O-CB 3.29Å; V584-F588 WeakPolarHBondContact O-CB 3Å; V584-F588 PolarHBondContact O-N 2.81Å; V584-L643 HydrophobicContact CG1-CD1 4.4Å; V584-L647 HydrophobicContact CG1-CD1 4.46Å; V584-I650 HydrophobicContact CG2-CD1 3.44Å; V584-I650 VanDerWaalsContact CG2-CD1 3.44Å; V584-I650 HydrophobicContact CG2-CG2 4.4Å |
| 585 | S | 90.3 | Very high | 89.5 | Confident | 27 Ų | 27 | 51 Ų | 51 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 177.9 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | Q567 L581 I583 D587 F588 E589 | Q567-S585 PolarHBondContact NE2-OG 3.42Å; L581-S585 WeakPolarHBondContact O-CB 3.48Å; L581-S585 PolarHBondContact O-N 3.46Å; L581-S585 VanDerWaalsContact O-N 3.1Å; L581-S585 PolarHBondContact O-OG 3.1Å; I583-S585 VanDerWaalsContact C-N 3.33Å; I583-S585 PolarHBondContact O-N 3.03Å; S585-D587 PolarHBondContact O-N 3.46Å; S585-F588 PolarHBondContact O-N 3.24Å; S585-E589 VanDerWaalsContact O-CG 3.27Å; S585-E589 WeakPolarHBondContact O-CG 3.48Å; S585-E589 PolarHBondContact O-N 2.78Å |
| 586 | C | 92.4 | Very high | 89.3 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 55% | 0.547 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | P582 I583 F588 E589 V590 | P582-C586 WeakPolarHBondContact O-CB 3.31Å; P582-C586 PolarHBondContact O-N 2.94Å; I583-C586 PolarHBondContact O-N 3.24Å; C586-F588 VanDerWaalsContact C-N 3.3Å; C586-F588 PolarHBondContact O-N 2.87Å; C586-E589 PolarHBondContact O-N 2.92Å; C586-V590 PolarHBondContact O-N 3.05Å |
| 587 | D | 89.7 | Confident | 89.4 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.059 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.1 | -34.7 | 179.6 | -80.3 | -11.6 | 0 | 0 | 0 | 112 | I583 S585 K642 L643 T646 | I583-D587 PolarHBondContact O-N 2.96Å; I583-D587 VanDerWaalsContact O-N 3.14Å; S585-D587 PolarHBondContact O-N 3.46Å; D587-K642 VanDerWaalsContact OD1-CE 3.28Å; D587-K642 WeakPolarHBondContact OD1-CE 3.49Å; D587-K642 IonicContact OD1-NZ 2.7Å; D587-K642 PolarHBondContact OD1-NZ 3.41Å; D587-L643 HydrophobicContact CB-CB 4.3Å; D587-L643 HydrophobicContact CB-CD1 3.7Å; D587-T646 WeakPolarHBondContact OD2-CB 3.48Å; D587-T646 WeakPolarHBondContact OD2-CG2 3.36Å; D587-T646 PolarHBondContact OD2-OG1 3.29Å |
| 588 | F | 90 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.1 | -38 | 178.2 | -178.5 | -116.6 | 0 | 0 | 0 | 113.7 | M559 Q560 V563 V584 S585 C586 V590 I591 I592 L643 | M559-F588 HydrophobicContact CB-CE2 3.99Å; M559-F588 HydrophobicContact CB-CZ 4.3Å; M559-F588 HydrophobicContact CE-CE2 4.38Å; Q560-F588 HydrophobicContact CB-CZ 4.3Å; Q560-F588 VanDerWaalsContact OE1-CE1 3.28Å; V563-F588 HydrophobicContact CB-CD1 3.98Å; V563-F588 HydrophobicContact CB-CD2 4.3Å; V563-F588 HydrophobicContact CB-CE1 3.82Å; V563-F588 HydrophobicContact CB-CE2 4.19Å; V563-F588 HydrophobicContact CB-CG 4.19Å; V563-F588 HydrophobicContact CB-CZ 3.93Å; V563-F588 HydrophobicContact CG1-CB 4.27Å; V563-F588 HydrophobicContact CG1-CD1 3.55Å; V563-F588 HydrophobicContact CG1-CD2 4.38Å; V563-F588 HydrophobicContact CG1-CE1 3.87Å; V563-F588 HydrophobicContact CG1-CG 3.8Å; V563-F588 HydrophobicContact CG1-CZ 4.43Å; V563-F588 HydrophobicContact CG2-CD1 4.19Å; V563-F588 HydrophobicContact CG2-CD2 3.61Å; V563-F588 HydrophobicContact CG2-CE1 4.14Å; V563-F588 HydrophobicContact CG2-CE2 3.6Å; V563-F588 HydrophobicContact CG2-CG 3.9Å; V563-F588 HydrophobicContact CG2-CZ 3.86Å; V584-F588 VanDerWaalsContact O-CB 3.29Å; V584-F588 WeakPolarHBondContact O-CB 3Å; V584-F588 PolarHBondContact O-N 2.81Å; S585-F588 PolarHBondContact O-N 3.24Å; C586-F588 VanDerWaalsContact C-N 3.3Å; C586-F588 PolarHBondContact O-N 2.87Å; F588-V590 PolarHBondContact O-N 2.73Å; F588-I591 WeakPolarHBondContact O-CB 3.49Å; F588-I591 PolarHBondContact O-N 3.08Å; F588-I592 HydrophobicContact CD1-CG1 4.13Å; F588-I592 HydrophobicContact CD2-CG1 4.42Å; F588-I592 HydrophobicContact CE1-CD1 4.12Å; F588-I592 HydrophobicContact CE1-CG1 3.55Å; F588-I592 HydrophobicContact CE2-CD1 4.04Å; F588-I592 HydrophobicContact CE2-CG1 3.86Å; F588-I592 HydrophobicContact CZ-CD1 3.53Å; F588-I592 HydrophobicContact CZ-CG1 3.4Å; F588-I592 PolarHBondContact O-N 3.12Å; F588-L643 HydrophobicContact CB-CD2 4.34Å; F588-L643 HydrophobicContact CD2-CD2 4.12Å |
| 589 | E | 92.8 | Very high | 89.3 | Confident | 100 Ų | 100 | 45.1 Ų | 45.1 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.8 | -34.3 | 175 | -75.1 | -58.9 | 141.9 | 0 | 0 | 112 | S585 C586 T593 | S585-E589 VanDerWaalsContact O-CG 3.27Å; S585-E589 WeakPolarHBondContact O-CG 3.48Å; S585-E589 PolarHBondContact O-N 2.78Å; C586-E589 PolarHBondContact O-N 2.92Å; E589-T593 WeakPolarHBondContact O-CB 3.41Å; E589-T593 PolarHBondContact O-N 2.87Å; E589-T593 PolarHBondContact O-OG1 2.91Å |
| 590 | V | 92.8 | Very high | 89.2 | Confident | 69 Ų | 69 | 41.9 Ų | 41.9 | 42% | 0.418 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 111 | C586 F588 T593 L594 A639 | C586-V590 PolarHBondContact O-N 3.05Å; F588-V590 PolarHBondContact O-N 2.73Å; V590-T593 PolarHBondContact O-N 3.15Å; V590-L594 HydrophobicContact CG1-CD1 4.06Å; V590-L594 VanDerWaalsContact O-CG 3.28Å; V590-L594 WeakPolarHBondContact O-CG 3.41Å; V590-L594 PolarHBondContact O-N 2.87Å; V590-L594 VanDerWaalsContact O-N 3.08Å; V590-A639 HydrophobicContact CG1-CB 4.06Å |
| 591 | I | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 179.5 | -63.6 | -179.4 | 0 | 0 | 0 | 110.9 | L539 M559 F588 T593 L594 L595 L636 A639 L643 | L539-I591 HydrophobicContact CD2-CD1 3.92Å; M559-I591 HydrophobicContact CE-CD1 4.42Å; M559-I591 HydrophobicContact CE-CG2 3.98Å; F588-I591 WeakPolarHBondContact O-CB 3.49Å; F588-I591 PolarHBondContact O-N 3.08Å; I591-T593 VanDerWaalsContact C-N 3.34Å; I591-T593 PolarHBondContact O-N 2.93Å; I591-L594 PolarHBondContact O-N 3.33Å; I591-L595 HydrophobicContact CG2-CD1 3.87Å; I591-L595 HydrophobicContact CG2-CG 4.26Å; I591-L595 WeakPolarHBondContact O-CG 3.37Å; I591-L595 PolarHBondContact O-N 2.96Å; I591-L636 HydrophobicContact CG2-CD2 4.17Å; I591-A639 HydrophobicContact CG1-CB 3.88Å; I591-L643 HydrophobicContact CD1-CB 3.91Å; I591-L643 HydrophobicContact CD1-CD2 3.45Å; I591-L643 VanDerWaalsContact CD1-CD2 3.45Å; I591-L643 HydrophobicContact CD1-CG 4.32Å |
| 592 | I | 90.5 | Very high | 88.6 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 178.2 | -71.7 | -62.2 | 0 | 0 | 0 | 110.8 | A556 F588 L594 L595 T596 | A556-I592 HydrophobicContact CB-CD1 4.08Å; F588-I592 HydrophobicContact CD1-CG1 4.13Å; F588-I592 HydrophobicContact CD2-CG1 4.42Å; F588-I592 HydrophobicContact CE1-CD1 4.12Å; F588-I592 HydrophobicContact CE1-CG1 3.55Å; F588-I592 HydrophobicContact CE2-CD1 4.04Å; F588-I592 HydrophobicContact CE2-CG1 3.86Å; F588-I592 HydrophobicContact CZ-CD1 3.53Å; F588-I592 HydrophobicContact CZ-CG1 3.4Å; F588-I592 PolarHBondContact O-N 3.12Å; I592-L594 VanDerWaalsContact C-N 3.31Å; I592-L594 PolarHBondContact O-N 2.82Å; I592-L595 PolarHBondContact O-N 2.86Å; I592-T596 PolarHBondContact O-N 2.94Å; I592-T596 PolarHBondContact O-OG1 3.49Å |
| 593 | T | 92 | Very high | 87.9 | Confident | 72 Ų | 72 | 42.5 Ų | 42.5 | 44% | 0.442 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.4 | -46.4 | 176.8 | -60 | 0 | 0 | 0 | 0 | 111.5 | E589 V590 I591 T596 Q597 | E589-T593 WeakPolarHBondContact O-CB 3.41Å; E589-T593 PolarHBondContact O-N 2.87Å; E589-T593 PolarHBondContact O-OG1 2.91Å; V590-T593 PolarHBondContact O-N 3.15Å; I591-T593 VanDerWaalsContact C-N 3.34Å; I591-T593 PolarHBondContact O-N 2.93Å; T593-T596 PolarHBondContact O-N 2.79Å; T593-Q597 VanDerWaalsContact O-CG 3.3Å; T593-Q597 WeakPolarHBondContact O-CG 3.41Å; T593-Q597 PolarHBondContact O-N 2.77Å |
| 594 | L | 90.3 | Very high | 87.1 | Confident | 22 Ų | 22 | 42 Ų | 42 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.7 | -38.5 | 178.7 | -70.3 | 170.5 | 0 | 0 | 0 | 112.5 | V590 I591 I592 Q597 L598 L632 L636 A639 | V590-L594 HydrophobicContact CG1-CD1 4.06Å; V590-L594 VanDerWaalsContact O-CG 3.28Å; V590-L594 WeakPolarHBondContact O-CG 3.41Å; V590-L594 PolarHBondContact O-N 2.87Å; V590-L594 VanDerWaalsContact O-N 3.08Å; I591-L594 PolarHBondContact O-N 3.33Å; I592-L594 VanDerWaalsContact C-N 3.31Å; I592-L594 PolarHBondContact O-N 2.82Å; L594-Q597 PolarHBondContact O-N 2.94Å; L594-L598 WeakPolarHBondContact O-CB 3.24Å; L594-L598 PolarHBondContact O-N 2.98Å; L594-L632 HydrophobicContact CD2-CD2 3.96Å; L594-L636 HydrophobicContact CB-CD1 4.42Å; L594-L636 HydrophobicContact CB-CD2 3.35Å; L594-L636 HydrophobicContact CB-CG 3.66Å; L594-L636 HydrophobicContact CD1-CD2 4.1Å; L594-L636 HydrophobicContact CD1-CG 4.2Å; L594-L636 HydrophobicContact CG-CD2 4.38Å; L594-A639 HydrophobicContact CD1-CB 4.04Å |
| 595 | L | 89.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 175.4 | -74.5 | 173.6 | 0 | 0 | 0 | 111.7 | L546 A552 L555 A556 M559 I591 I592 L598 S599 L636 | L546-L595 HydrophobicContact CD1-CD2 4.23Å; L546-L595 HydrophobicContact CD2-CD2 4.11Å; A552-L595 HydrophobicContact CB-CD2 4.48Å; L555-L595 HydrophobicContact CD2-CD2 4.4Å; A556-L595 HydrophobicContact CB-CB 4.08Å; A556-L595 HydrophobicContact CB-CD1 3.81Å; M559-L595 HydrophobicContact SD-CD1 4.23Å; I591-L595 HydrophobicContact CG2-CD1 3.87Å; I591-L595 HydrophobicContact CG2-CG 4.26Å; I591-L595 WeakPolarHBondContact O-CG 3.37Å; I591-L595 PolarHBondContact O-N 2.96Å; I592-L595 PolarHBondContact O-N 2.86Å; L595-L598 PolarHBondContact O-N 3.24Å; L595-S599 WeakPolarHBondContact O-CB 3.37Å; L595-S599 PolarHBondContact O-N 3.36Å; L595-L636 HydrophobicContact CD2-CD1 4.02Å; L595-L636 HydrophobicContact CD2-CD2 3.98Å; L595-L636 HydrophobicContact CG-CD2 3.81Å |
| 596 | T | 88.4 | Confident | 84.3 | Confident | 78 Ų | 78 | 50 Ų | 50 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -40 | 174.8 | -57 | 0 | 0 | 0 | 0 | 111.6 | I592 T593 S600 | I592-T596 PolarHBondContact O-N 2.94Å; I592-T596 PolarHBondContact O-OG1 3.49Å; T593-T596 PolarHBondContact O-N 2.79Å; T596-S600 WeakPolarHBondContact O-CB 3.49Å; T596-S600 PolarHBondContact O-N 3.17Å; T596-S600 PolarHBondContact O-OG 2.88Å |
| 597 | Q | 88.9 | Confident | 82.6 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.3 | -73.8 | 172.7 | -8.2 | 0 | 0 | 111.8 | T593 L594 S600 I601 L632 | T593-Q597 VanDerWaalsContact O-CG 3.3Å; T593-Q597 WeakPolarHBondContact O-CG 3.41Å; T593-Q597 PolarHBondContact O-N 2.77Å; L594-Q597 PolarHBondContact O-N 2.94Å; Q597-S600 PolarHBondContact O-N 3.03Å; Q597-I601 PolarHBondContact O-N 3.32Å; Q597-I601 VanDerWaalsContact O-N 3.15Å; Q597-L632 HydrophobicContact CB-CD1 4.5Å; Q597-L632 HydrophobicContact CB-CD2 4.4Å |
| 598 | L | 86.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 177.3 | -175.4 | 63 | 0 | 0 | 0 | 111.7 | L546 A552 L594 L595 S600 I601 E602 R629 L632 I633 L636 | L546-L598 HydrophobicContact CD1-CD2 3.99Å; L546-L598 HydrophobicContact CD2-CD2 3.87Å; L546-L598 HydrophobicContact CG-CD2 4.37Å; A552-L598 HydrophobicContact CB-CB 4.27Å; A552-L598 HydrophobicContact CB-CD2 4.03Å; A552-L598 HydrophobicContact CB-CG 4.08Å; L594-L598 WeakPolarHBondContact O-CB 3.24Å; L594-L598 PolarHBondContact O-N 2.98Å; L595-L598 PolarHBondContact O-N 3.24Å; L598-S600 VanDerWaalsContact C-N 3.33Å; L598-S600 PolarHBondContact O-N 3.31Å; L598-I601 PolarHBondContact O-N 2.91Å; L598-E602 WeakPolarHBondContact O-CG 3.39Å; L598-E602 PolarHBondContact O-N 2.92Å; L598-R629 HydrophobicContact CD1-CG 4.02Å; L598-L632 HydrophobicContact CD1-CB 4.36Å; L598-L632 HydrophobicContact CD1-CD1 4.38Å; L598-I633 HydrophobicContact CD2-CG1 4.32Å; L598-L636 HydrophobicContact CD2-CD1 3.81Å |
| 599 | S | 86.3 | Confident | 78.9 | Confident | 16 Ų | 16 | 58 Ų | 58 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | L595 I601 E602 I603 | L595-S599 WeakPolarHBondContact O-CB 3.37Å; L595-S599 PolarHBondContact O-N 3.36Å; S599-I601 VanDerWaalsContact C-N 3.3Å; S599-I601 PolarHBondContact O-N 2.79Å; S599-E602 WeakPolarHBondContact O-CB 3.15Å; S599-E602 PolarHBondContact O-N 3.01Å; S599-E602 VanDerWaalsContact O-N 3.09Å; S599-I603 WeakPolarHBondContact O-CG1 3.35Å; S599-I603 PolarHBondContact O-N 3.31Å |
| 600 | S | 85.7 | Confident | 76.5 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 43% | 0.427 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | T596 Q597 L598 T604 | T596-S600 WeakPolarHBondContact O-CB 3.49Å; T596-S600 PolarHBondContact O-N 3.17Å; T596-S600 PolarHBondContact O-OG 2.88Å; Q597-S600 PolarHBondContact O-N 3.03Å; L598-S600 VanDerWaalsContact C-N 3.33Å; L598-S600 PolarHBondContact O-N 3.31Å; S600-T604 WeakPolarHBondContact O-CB 3.38Å; S600-T604 PolarHBondContact O-N 3.08Å; S600-T604 VanDerWaalsContact O-N 3.1Å; S600-T604 PolarHBondContact O-OG1 2.76Å |
| 601 | I | 80.5 | Confident | 74 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | 176.4 | -70.5 | 165.3 | 0 | 0 | 0 | 111.6 | Q597 L598 S599 T604 K605 L632 | Q597-I601 PolarHBondContact O-N 3.32Å; Q597-I601 VanDerWaalsContact O-N 3.15Å; L598-I601 PolarHBondContact O-N 2.91Å; S599-I601 VanDerWaalsContact C-N 3.3Å; S599-I601 PolarHBondContact O-N 2.79Å; I601-T604 PolarHBondContact O-N 3.37Å; I601-K605 WeakPolarHBondContact O-CG 3.2Å; I601-K605 PolarHBondContact O-N 3.04Å; I601-K605 VanDerWaalsContact O-N 3.1Å; I601-L632 HydrophobicContact CD1-CD1 3.28Å |
| 602 | E | 78.9 | Confident | 71.6 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 177.5 | -70.6 | -179.3 | 157.5 | 0 | 0 | 111.7 | P549 G550 L598 S599 T604 K605 S606 R629 | P549-E602 WeakPolarHBondContact CA-OE1 3.49Å; G550-E602 VanDerWaalsContact CA-OE2 3.24Å; G550-E602 WeakPolarHBondContact CA-OE2 3.44Å; G550-E602 PolarHBondContact N-OE1 2.85Å; G550-E602 PolarHBondContact N-OE2 2.9Å; L598-E602 WeakPolarHBondContact O-CG 3.39Å; L598-E602 PolarHBondContact O-N 2.92Å; S599-E602 WeakPolarHBondContact O-CB 3.15Å; S599-E602 PolarHBondContact O-N 3.01Å; S599-E602 VanDerWaalsContact O-N 3.09Å; E602-T604 VanDerWaalsContact C-N 3.32Å; E602-T604 PolarHBondContact O-N 3.49Å; E602-K605 PolarHBondContact O-N 3.22Å; E602-S606 PolarHBondContact O-N 2.94Å; E602-S606 VanDerWaalsContact O-N 3.13Å; E602-R629 IonicContact OE1-CZ 3.37Å; E602-R629 IonicContact OE1-NH1 2.65Å; E602-R629 PolarHBondContact OE1-NH1 3.04Å; E602-R629 IonicContact OE1-NH2 3.14Å; E602-R629 PolarHBondContact OE1-NH2 2.67Å; E602-R629 VanDerWaalsContact OE1-NH2 3.14Å |
| 603 | I | 75.9 | Confident | 69 | Low | 89 Ų | 89 | 76.1 Ų | 76.1 | 46% | 0.456 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 175.9 | -64.1 | 165.7 | 0 | 0 | 0 | 111.3 | S599 K605 S606 T607 | S599-I603 WeakPolarHBondContact O-CG1 3.35Å; S599-I603 PolarHBondContact O-N 3.31Å; I603-K605 VanDerWaalsContact C-N 3.3Å; I603-K605 PolarHBondContact O-N 3.37Å; I603-S606 PolarHBondContact O-N 3.08Å; I603-S606 PolarHBondContact O-OG 3.44Å; I603-T607 PolarHBondContact O-N 2.86Å; I603-T607 VanDerWaalsContact O-N 3.1Å; I603-T607 PolarHBondContact O-OG1 3.34Å |
| 604 | T | 69.1 | Low | 66.3 | Low | 77 Ų | 77 | 78 Ų | 78 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.2 | -28.5 | 179.2 | -48.6 | 0 | 0 | 0 | 0 | 112.1 | S600 I601 E602 T607 N608 | S600-T604 WeakPolarHBondContact O-CB 3.38Å; S600-T604 PolarHBondContact O-N 3.08Å; S600-T604 VanDerWaalsContact O-N 3.1Å; S600-T604 PolarHBondContact O-OG1 2.76Å; I601-T604 PolarHBondContact O-N 3.37Å; E602-T604 VanDerWaalsContact C-N 3.32Å; E602-T604 PolarHBondContact O-N 3.49Å; T604-T607 WeakPolarHBondContact CA-OG1 3.39Å; T604-T607 PolarHBondContact O-OG1 3.17Å; T604-N608 PolarHBondContact O-N 2.88Å; T604-N608 PolarHBondContact O-ND2 3.03Å |
| 605 | K | 62.3 | Low | 63.6 | Low | 131 Ų | 131 | 81.9 Ų | 81.9 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -78.5 | -36.6 | 175.7 | -76.1 | -176.5 | 178 | -174 | 0 | 112.9 | I601 E602 I603 S609 | I601-K605 WeakPolarHBondContact O-CG 3.2Å; I601-K605 PolarHBondContact O-N 3.04Å; I601-K605 VanDerWaalsContact O-N 3.1Å; E602-K605 PolarHBondContact O-N 3.22Å; I603-K605 VanDerWaalsContact C-N 3.3Å; I603-K605 PolarHBondContact O-N 3.37Å; K605-S609 PolarHBondContact O-N 2.93Å |
| 606 | S | 57.1 | Low | 60.9 | Low | 63 Ų | 63 | 89.3 Ų | 89.3 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.8 | -35.7 | 177 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | E602 I603 S609 Q610 | E602-S606 PolarHBondContact O-N 2.94Å; E602-S606 VanDerWaalsContact O-N 3.13Å; I603-S606 PolarHBondContact O-N 3.08Å; I603-S606 PolarHBondContact O-OG 3.44Å; S606-S609 PolarHBondContact O-N 2.96Å; S606-S609 PolarHBondContact O-OG 3.45Å; S606-Q610 PolarHBondContact O-N 2.91Å |
| 607 | T | 56.1 | Low | 58.2 | Low | 70 Ų | 70 | 97.2 Ų | 97.2 | 43% | 0.429 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 174.3 | 39.3 | 0 | 0 | 0 | 0 | 112.4 | I603 T604 | I603-T607 PolarHBondContact O-N 2.86Å; I603-T607 VanDerWaalsContact O-N 3.1Å; I603-T607 PolarHBondContact O-OG1 3.34Å; T604-T607 WeakPolarHBondContact CA-OG1 3.39Å; T604-T607 PolarHBondContact O-OG1 3.17Å |
| 608 | N | 52.3 | Low | 55.6 | Low | 111 Ų | 111 | 99.7 Ų | 99.7 | 59% | 0.594 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73 | -26.1 | 175.7 | -78.3 | -39.2 | 0 | 0 | 0 | 113.9 | T604 | T604-N608 PolarHBondContact O-N 2.88Å; T604-N608 PolarHBondContact O-ND2 3.03Å |
| 609 | S | 50.9 | Low | 53.1 | Low | 81 Ų | 81 | 107.4 Ų | 107.4 | 57% | 0.566 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -76.7 | -25.9 | 176.5 | 65 | 0 | 0 | 0 | 0 | 113.2 | K605 S606 S612 | K605-S609 PolarHBondContact O-N 2.93Å; S606-S609 PolarHBondContact O-N 2.96Å; S606-S609 PolarHBondContact O-OG 3.45Å; S609-S612 PolarHBondContact O-OG 2.96Å |
| 610 | Q | 42.4 | Very low | 50.5 | Low | 169 Ų | 169 | 113.4 Ų | 113.4 | 79% | 0.79 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -82.3 | -16.1 | 175.4 | -69.3 | -164.4 | -8.9 | 0 | 0 | 114.4 | S606 | S606-Q610 PolarHBondContact O-N 2.91Å |
| 611 | L | 40.6 | Very low | 48 | Very low | 132 Ų | 132 | 117.6 Ų | 117.6 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 21.8 | -178.4 | -87.5 | 149.6 | 0 | 0 | 0 | 114.2 | Q613 | L611-Q613 PolarHBondContact O-N 2.93Å; L611-Q613 VanDerWaalsContact O-N 3.13Å |
| 612 | S | 40.8 | Very low | 45.7 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -86.8 | 52.5 | 172 | 60.4 | 0 | 0 | 0 | 0 | 113 | S609 | S609-S612 PolarHBondContact O-OG 2.96Š| ||
| 613 | Q | 35.8 | Very low | 43.6 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -134.3 | 128.4 | 147.2 | -74.1 | -171.5 | -2.3 | 0 | 0 | 107.4 | L611 | L611-Q613 PolarHBondContact O-N 2.93Å; L611-Q613 VanDerWaalsContact O-N 3.13Å |
| 614 | S | 34.5 | Very low | 42 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 90.3 | 95.6 | 178.8 | 75.8 | 0 | 0 | 0 | 0 | 117.9 | ||
| 615 | S | 32.8 | Very low | 40.9 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | 54.2 | 112.9 | 129.5 | 60.6 | 0 | 0 | 0 | 0 | 120.7 | R617 | S615-R617 PolarHBondContact O-N 3.41Š| |||
| 616 | D | 34 | Very low | 40.4 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | trans | 27.4 | 91 | 130.6 | -70.9 | -22.8 | 0 | 0 | 0 | 117.1 | ||||
| 617 | R | 32 | Very low | 40.6 | Very low | 244 Ų | 244 | 141.9 Ų | 141.9 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | trans | 176.4 | 147.9 | 133.7 | -94.4 | 154.7 | -172.4 | -149.8 | 3 | 109.5 | S615 | S615-R617 PolarHBondContact O-N 3.41Š| ||
| 618 | V | 33 | Very low | 41.7 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 89.7 | 54.4 | -178.7 | -157.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 619 | I | 34.7 | Very low | 43 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | trans | -74.1 | 139.9 | 132.9 | -58.7 | 173.9 | 0 | 0 | 0 | 105.5 | ||||
| 620 | I | 32 | Very low | 44.6 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | 94.1 | 87.4 | 178.8 | -44.8 | 162.5 | 0 | 0 | 0 | 113.5 | ||||
| 621 | I | 32.7 | Very low | 46.7 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | S | Bend | 176.7 | 94.3 | 122.4 | -78.8 | 148.8 | 0 | 0 | 0 | 107 | |||
| 622 | N | 33 | Very low | 48.9 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 68% | 0.684 | 67% | 0.667 | S | S | * | * | trans | 172.4 | 79.2 | 141 | -91.4 | -18.3 | 0 | 0 | 0 | 109.5 | K624 | N622-K624 PolarHBondContact O-N 3.31Š| ||
| 623 | K | 33.8 | Very low | 51.1 | Low | 224 Ų | 224 | 126.8 Ų | 126.8 | 97% | 0.974 | 64% | 0.64 | S | S | * | * | trans | -81.3 | 33.5 | 163 | -85.1 | -173.5 | 174.7 | 179 | 0 | 111.7 | K625 | K623-K625 PolarHBondContact O-N 2.76Š| ||
| 624 | K | 41.3 | Very low | 53.6 | Low | 180 Ų | 180 | 122 Ų | 122 | 78% | 0.783 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -80.5 | 113.7 | 158.9 | -86.5 | -173.9 | 175.5 | 179.5 | 0 | 105 | N622 N626 | N622-K624 PolarHBondContact O-N 3.31Å; K624-N626 PolarHBondContact O-N 3.25Å |
| 625 | K | 46 | Very low | 56.3 | Low | 180 Ų | 180 | 118.7 Ų | 118.7 | 78% | 0.783 | 60% | 0.596 | S | S | * | * | trans | -7.3 | 100.6 | 177.9 | -79.6 | 178 | 169.4 | -177.2 | 0 | 111.7 | K623 E627 | K623-K625 PolarHBondContact O-N 2.76Å; K625-E627 HydrophobicContact CB-CG 4.32Å; K625-E627 PolarHBondContact O-N 3.31Å | ||
| 626 | N | 51.6 | Low | 59 | Low | 155 Ų | 155 | 113.7 Ų | 113.7 | 83% | 0.829 | 56% | 0.561 | S | S | * | * | trans | -65.4 | 83.5 | 162.9 | -91.8 | -9.6 | 0 | 0 | 0 | 105.8 | K624 S628 | K624-N626 PolarHBondContact O-N 3.25Å; N626-S628 PolarHBondContact O-N 3.3Å | ||
| 627 | E | 62.6 | Low | 61.7 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | trans | -60.2 | 121.6 | 166.1 | -72.8 | -178.4 | 174.3 | 0 | 0 | 106.2 | K625 L632 | K625-E627 HydrophobicContact CB-CG 4.32Å; K625-E627 PolarHBondContact O-N 3.31Å; E627-L632 HydrophobicContact CB-CD2 4.47Å; E627-L632 HydrophobicContact CB-CG 4.16Å; E627-L632 VanDerWaalsContact OE2-CD2 3.31Å; E627-L632 WeakPolarHBondContact OE2-CD2 3.48Å | ||
| 628 | S | 78.1 | Confident | 64.6 | Low | 62 Ų | 62 | 101.9 Ų | 101.9 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | trans | -62 | 149.2 | 178.4 | 63.3 | 0 | 0 | 0 | 0 | 108.7 | N626 E630 S631 L632 | N626-S628 PolarHBondContact O-N 3.3Å; S628-E630 PolarHBondContact O-N 3.44Å; S628-E630 VanDerWaalsContact O-N 3.09Å; S628-S631 WeakPolarHBondContact O-CB 3.37Å; S628-S631 PolarHBondContact O-N 2.86Å; S628-S631 WeakPolarHBondContact OG-CB 3.48Å; S628-S631 PolarHBondContact OG-N 3.31Å; S628-S631 VanDerWaalsContact OG-N 3.13Å; S628-L632 PolarHBondContact O-N 2.92Å; S628-L632 VanDerWaalsContact O-N 3.09Å | ||
| 629 | R | 81.1 | Confident | 67.4 | Low | 55 Ų | 55 | 96.3 Ų | 96.3 | 21% | 0.208 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -45.4 | -43.1 | 171.9 | 177.6 | -172 | 178.5 | 78.5 | -1.2 | 111 | L546 L598 E602 L632 I633 | L546-R629 PolarHBondContact O-NH2 2.93Å; L598-R629 HydrophobicContact CD1-CG 4.02Å; E602-R629 IonicContact OE1-CZ 3.37Å; E602-R629 IonicContact OE1-NH1 2.65Å; E602-R629 PolarHBondContact OE1-NH1 3.04Å; E602-R629 IonicContact OE1-NH2 3.14Å; E602-R629 PolarHBondContact OE1-NH2 2.67Å; E602-R629 VanDerWaalsContact OE1-NH2 3.14Å; R629-L632 PolarHBondContact O-N 2.81Å; R629-I633 HydrophobicContact CG-CD1 3.91Å; R629-I633 VanDerWaalsContact O-CG1 3.31Å; R629-I633 WeakPolarHBondContact O-CG1 3.38Å; R629-I633 PolarHBondContact O-N 3.29Å |
| 630 | E | 83.8 | Confident | 70.2 | Confident | 155 Ų | 155 | 88.8 Ų | 88.8 | 72% | 0.724 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 178.7 | -66.3 | 169.1 | -176.8 | 0 | 0 | 112.6 | S628 L632 I633 D634 | S628-E630 PolarHBondContact O-N 3.44Å; S628-E630 VanDerWaalsContact O-N 3.09Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.41Å; E630-I633 PolarHBondContact O-N 3.13Å; E630-D634 PolarHBondContact O-N 2.93Å |
| 631 | S | 86.3 | Confident | 73.1 | Confident | 47 Ų | 47 | 87.1 Ų | 87.1 | 33% | 0.329 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | S628 S635 | S628-S631 WeakPolarHBondContact O-CB 3.37Å; S628-S631 PolarHBondContact O-N 2.86Å; S628-S631 WeakPolarHBondContact OG-CB 3.48Å; S628-S631 PolarHBondContact OG-N 3.31Å; S628-S631 VanDerWaalsContact OG-N 3.13Å; S631-S635 WeakPolarHBondContact O-CB 3.43Å; S631-S635 PolarHBondContact O-N 3.48Å; S631-S635 PolarHBondContact O-OG 3.23Å |
| 632 | L | 86.6 | Confident | 75.9 | Confident | 2 Ų | 2 | 85.6 Ų | 85.6 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 175.1 | -76.6 | 171.3 | 0 | 0 | 0 | 111.6 | L594 Q597 L598 I601 E627 S628 R629 E630 S635 L636 | L594-L632 HydrophobicContact CD2-CD2 3.96Å; Q597-L632 HydrophobicContact CB-CD1 4.5Å; Q597-L632 HydrophobicContact CB-CD2 4.4Å; L598-L632 HydrophobicContact CD1-CB 4.36Å; L598-L632 HydrophobicContact CD1-CD1 4.38Å; I601-L632 HydrophobicContact CD1-CD1 3.28Å; E627-L632 HydrophobicContact CB-CD2 4.47Å; E627-L632 HydrophobicContact CB-CG 4.16Å; E627-L632 VanDerWaalsContact OE2-CD2 3.31Å; E627-L632 WeakPolarHBondContact OE2-CD2 3.48Å; S628-L632 PolarHBondContact O-N 2.92Å; S628-L632 VanDerWaalsContact O-N 3.09Å; R629-L632 PolarHBondContact O-N 2.81Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.41Å; L632-S635 PolarHBondContact O-N 2.81Å; L632-L636 WeakPolarHBondContact O-CB 3.41Å; L632-L636 VanDerWaalsContact O-CG 3.31Å; L632-L636 WeakPolarHBondContact O-CG 3.41Å; L632-L636 PolarHBondContact O-N 2.97Å |
| 633 | I | 86.9 | Confident | 78.8 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.6 | -68.5 | 169 | 0 | 0 | 0 | 110.8 | I543 L546 L598 R629 E630 L636 D637 | I543-I633 HydrophobicContact CG1-CG2 4.36Å; L546-I633 HydrophobicContact CB-CG1 4.48Å; L598-I633 HydrophobicContact CD2-CG1 4.32Å; R629-I633 HydrophobicContact CG-CD1 3.91Å; R629-I633 VanDerWaalsContact O-CG1 3.31Å; R629-I633 WeakPolarHBondContact O-CG1 3.38Å; R629-I633 PolarHBondContact O-N 3.29Å; E630-I633 PolarHBondContact O-N 3.13Å; I633-L636 PolarHBondContact O-N 3.17Å; I633-D637 WeakPolarHBondContact O-CB 3.14Å; I633-D637 PolarHBondContact O-N 2.94Å |
| 634 | D | 88.5 | Confident | 81.5 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 174.6 | 177.4 | 70 | 0 | 0 | 0 | 112.3 | E630 D637 K638 | E630-D634 PolarHBondContact O-N 2.93Å; D634-D637 PolarHBondContact O-N 2.76Å; D634-K638 WeakPolarHBondContact O-CG 3.45Å; D634-K638 PolarHBondContact O-N 2.97Å; D634-K638 IonicContact OD1-NZ 3.64Å; D634-K638 WeakPolarHBondContact OD2-CE 3.44Å; D634-K638 IonicContact OD2-NZ 2.66Å; D634-K638 PolarHBondContact OD2-NZ 3.4Å |
| 635 | S | 91.1 | Very high | 84 | Confident | 39 Ų | 39 | 66.3 Ų | 66.3 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 175.6 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | S631 L632 K638 A639 | S631-S635 WeakPolarHBondContact O-CB 3.43Å; S631-S635 PolarHBondContact O-N 3.48Å; S631-S635 PolarHBondContact O-OG 3.23Å; L632-S635 PolarHBondContact O-N 2.81Å; S635-K638 PolarHBondContact O-N 3.47Å; S635-A639 WeakPolarHBondContact O-CB 3.14Å; S635-A639 PolarHBondContact O-N 3.33Å |
| 636 | L | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 174.5 | -81.7 | 162.8 | 0 | 0 | 0 | 111.9 | L542 L546 I591 L594 L595 L598 L632 I633 A639 G640 | L542-L636 HydrophobicContact CD2-CB 3.75Å; L546-L636 HydrophobicContact CD1-CD1 3.73Å; I591-L636 HydrophobicContact CG2-CD2 4.17Å; L594-L636 HydrophobicContact CB-CD1 4.42Å; L594-L636 HydrophobicContact CB-CD2 3.35Å; L594-L636 HydrophobicContact CB-CG 3.66Å; L594-L636 HydrophobicContact CD1-CD2 4.1Å; L594-L636 HydrophobicContact CD1-CG 4.2Å; L594-L636 HydrophobicContact CG-CD2 4.38Å; L595-L636 HydrophobicContact CD2-CD1 4.02Å; L595-L636 HydrophobicContact CD2-CD2 3.98Å; L595-L636 HydrophobicContact CG-CD2 3.81Å; L598-L636 HydrophobicContact CD2-CD1 3.81Å; L632-L636 WeakPolarHBondContact O-CB 3.41Å; L632-L636 VanDerWaalsContact O-CG 3.31Å; L632-L636 WeakPolarHBondContact O-CG 3.41Å; L632-L636 PolarHBondContact O-N 2.97Å; I633-L636 PolarHBondContact O-N 3.17Å; L636-A639 PolarHBondContact O-N 3.14Å; L636-G640 PolarHBondContact O-N 2.99Å |
| 637 | D | 90.1 | Very high | 88 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 176.3 | -175.2 | 53.9 | 0 | 0 | 0 | 111 | I543 I633 D634 A639 G640 Q641 | I543-D637 HydrophobicContact CD1-CB 4.07Å; I543-D637 HydrophobicContact CG1-CB 4.12Å; I633-D637 WeakPolarHBondContact O-CB 3.14Å; I633-D637 PolarHBondContact O-N 2.94Å; D634-D637 PolarHBondContact O-N 2.76Å; D637-A639 PolarHBondContact O-N 2.86Å; D637-G640 PolarHBondContact O-N 3.37Å; D637-Q641 WeakPolarHBondContact O-CG 3.47Å; D637-Q641 PolarHBondContact O-N 2.97Å; D637-Q641 PolarHBondContact OD2-NE2 2.68Å |
| 638 | K | 92.6 | Very high | 89.4 | Confident | 119 Ų | 119 | 51.5 Ų | 51.5 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 175.1 | -72.4 | 168.3 | -178.7 | 162.1 | 0 | 112.7 | D634 S635 G640 Q641 K642 | D634-K638 WeakPolarHBondContact O-CG 3.45Å; D634-K638 PolarHBondContact O-N 2.97Å; D634-K638 IonicContact OD1-NZ 3.64Å; D634-K638 WeakPolarHBondContact OD2-CE 3.44Å; D634-K638 IonicContact OD2-NZ 2.66Å; D634-K638 PolarHBondContact OD2-NZ 3.4Å; S635-K638 PolarHBondContact O-N 3.47Å; K638-G640 VanDerWaalsContact C-N 3.33Å; K638-Q641 PolarHBondContact O-N 3.29Å; K638-K642 WeakPolarHBondContact O-CB 3.45Å; K638-K642 PolarHBondContact O-N 3.31Å |
| 639 | A | 92.3 | Very high | 90 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V590 I591 L594 S635 L636 D637 K642 L643 | V590-A639 HydrophobicContact CG1-CB 4.06Å; I591-A639 HydrophobicContact CG1-CB 3.88Å; L594-A639 HydrophobicContact CD1-CB 4.04Å; S635-A639 WeakPolarHBondContact O-CB 3.14Å; S635-A639 PolarHBondContact O-N 3.33Å; L636-A639 PolarHBondContact O-N 3.14Å; D637-A639 PolarHBondContact O-N 2.86Å; A639-K642 PolarHBondContact O-N 2.73Å; A639-L643 PolarHBondContact O-N 3.29Å |
| 640 | G | 92.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L636 D637 K638 L643 S644 | L636-G640 PolarHBondContact O-N 2.99Å; D637-G640 PolarHBondContact O-N 3.37Å; K638-G640 VanDerWaalsContact C-N 3.33Å; G640-L643 PolarHBondContact O-N 3.02Å; G640-S644 WeakPolarHBondContact O-CB 3.28Å; G640-S644 PolarHBondContact O-N 3.34Å |
| 641 | Q | 92.4 | Very high | 91.1 | Very high | 106 Ų | 106 | 47.9 Ų | 47.9 | 50% | 0.495 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 174 | -70.8 | 175.6 | 19.8 | 0 | 0 | 111.6 | D637 K638 S644 I645 | D637-Q641 WeakPolarHBondContact O-CG 3.47Å; D637-Q641 PolarHBondContact O-N 2.97Å; D637-Q641 PolarHBondContact OD2-NE2 2.68Å; K638-Q641 PolarHBondContact O-N 3.29Å; Q641-S644 PolarHBondContact O-N 2.9Å; Q641-I645 WeakPolarHBondContact O-CG1 3.26Å; Q641-I645 PolarHBondContact O-N 2.96Å |
| 642 | K | 93.3 | Very high | 91.4 | Very high | 118 Ų | 118 | 50.2 Ų | 50.2 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.9 | -51.6 | 175.7 | -172.8 | -167.3 | 178.8 | -153.2 | 0 | 111.2 | D587 K638 A639 S644 I645 T646 | D587-K642 VanDerWaalsContact OD1-CE 3.28Å; D587-K642 WeakPolarHBondContact OD1-CE 3.49Å; D587-K642 IonicContact OD1-NZ 2.7Å; D587-K642 PolarHBondContact OD1-NZ 3.41Å; K638-K642 WeakPolarHBondContact O-CB 3.45Å; K638-K642 PolarHBondContact O-N 3.31Å; A639-K642 PolarHBondContact O-N 2.73Å; K642-S644 VanDerWaalsContact C-N 3.29Å; K642-S644 PolarHBondContact O-N 3.13Å; K642-I645 PolarHBondContact O-N 3.36Å; K642-T646 WeakPolarHBondContact O-CB 3.39Å; K642-T646 PolarHBondContact O-N 3.41Å; K642-T646 PolarHBondContact O-OG1 3.03Å; K642-T646 VanDerWaalsContact O-OG1 3.07Å |
| 643 | L | 92.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 178.2 | 177.8 | 62.1 | 0 | 0 | 0 | 111.3 | L539 V584 D587 F588 I591 A639 G640 T646 L647 | L539-L643 HydrophobicContact CD1-CB 4.49Å; L539-L643 HydrophobicContact CD1-CD2 4.26Å; L539-L643 HydrophobicContact CD1-CG 4.29Å; V584-L643 HydrophobicContact CG1-CD1 4.4Å; D587-L643 HydrophobicContact CB-CB 4.3Å; D587-L643 HydrophobicContact CB-CD1 3.7Å; F588-L643 HydrophobicContact CB-CD2 4.34Å; F588-L643 HydrophobicContact CD2-CD2 4.12Å; I591-L643 HydrophobicContact CD1-CB 3.91Å; I591-L643 HydrophobicContact CD1-CD2 3.45Å; I591-L643 VanDerWaalsContact CD1-CD2 3.45Å; I591-L643 HydrophobicContact CD1-CG 4.32Å; A639-L643 PolarHBondContact O-N 3.29Å; G640-L643 PolarHBondContact O-N 3.02Å; L643-T646 PolarHBondContact O-N 2.85Å; L643-L647 WeakPolarHBondContact O-CB 3.22Å; L643-L647 PolarHBondContact O-N 3.49Å |
| 644 | S | 92 | Very high | 92.1 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 178 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | G640 Q641 K642 L647 E648 | G640-S644 WeakPolarHBondContact O-CB 3.28Å; G640-S644 PolarHBondContact O-N 3.34Å; Q641-S644 PolarHBondContact O-N 2.9Å; K642-S644 VanDerWaalsContact C-N 3.29Å; K642-S644 PolarHBondContact O-N 3.13Å; S644-L647 PolarHBondContact O-N 3.46Å; S644-E648 WeakPolarHBondContact O-CG 3.37Å; S644-E648 PolarHBondContact O-N 3.28Å |
| 645 | I | 92.2 | Very high | 92.4 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 178.9 | -65.8 | 166.1 | 0 | 0 | 0 | 111 | Q641 K642 L647 E648 R649 | Q641-I645 WeakPolarHBondContact O-CG1 3.26Å; Q641-I645 PolarHBondContact O-N 2.96Å; K642-I645 PolarHBondContact O-N 3.36Å; I645-L647 VanDerWaalsContact C-N 3.32Å; I645-L647 PolarHBondContact O-N 2.99Å; I645-E648 PolarHBondContact O-N 3.49Å; I645-R649 PolarHBondContact O-N 3.11Å |
| 646 | T | 91.8 | Very high | 92.6 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 177.1 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | I583 D587 K642 L643 R649 I650 | I583-T646 HydrophobicContact CG2-CG2 3.62Å; D587-T646 WeakPolarHBondContact OD2-CB 3.48Å; D587-T646 WeakPolarHBondContact OD2-CG2 3.36Å; D587-T646 PolarHBondContact OD2-OG1 3.29Å; K642-T646 WeakPolarHBondContact O-CB 3.39Å; K642-T646 PolarHBondContact O-N 3.41Å; K642-T646 PolarHBondContact O-OG1 3.03Å; K642-T646 VanDerWaalsContact O-OG1 3.07Å; L643-T646 PolarHBondContact O-N 2.85Å; T646-R649 PolarHBondContact O-N 3.18Å; T646-I650 HydrophobicContact CG2-CD1 3.69Å; T646-I650 WeakPolarHBondContact O-CB 3.5Å; T646-I650 VanDerWaalsContact O-CG1 3.3Å; T646-I650 WeakPolarHBondContact O-CG1 3.28Å; T646-I650 PolarHBondContact O-N 3.34Å |
| 647 | L | 91.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | -177.6 | -175.4 | 70.9 | 0 | 0 | 0 | 112.2 | I532 L535 I566 F570 V584 L643 S644 I645 I650 W651 | I532-L647 HydrophobicContact CG1-CD1 4.45Å; I532-L647 HydrophobicContact CG1-CD2 4.23Å; I532-L647 HydrophobicContact CG1-CG 4.4Å; I532-L647 HydrophobicContact CG2-CD2 4.14Å; I532-L647 HydrophobicContact CG2-CG 4.48Å; L535-L647 HydrophobicContact CB-CD2 4.47Å; L535-L647 HydrophobicContact CD2-CD2 3.63Å; L535-L647 HydrophobicContact CG-CD2 4.22Å; I566-L647 HydrophobicContact CD1-CD1 4.4Å; I566-L647 HydrophobicContact CD1-CD2 4.41Å; I566-L647 HydrophobicContact CG2-CD1 4.18Å; F570-L647 HydrophobicContact CE2-CD1 4.37Å; F570-L647 HydrophobicContact CZ-CD1 4.42Å; V584-L647 HydrophobicContact CG1-CD1 4.46Å; L643-L647 WeakPolarHBondContact O-CB 3.22Å; L643-L647 PolarHBondContact O-N 3.49Å; S644-L647 PolarHBondContact O-N 3.46Å; I645-L647 VanDerWaalsContact C-N 3.32Å; I645-L647 PolarHBondContact O-N 2.99Å; L647-I650 PolarHBondContact O-N 2.86Å; L647-W651 VanDerWaalsContact O-CB 3.24Å; L647-W651 WeakPolarHBondContact O-CB 3.37Å; L647-W651 PolarHBondContact O-N 3.42Å |
| 648 | E | 89.9 | Confident | 93.1 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60 | -48.8 | 177.4 | -77 | -178.9 | 164.8 | 0 | 0 | 111.2 | R536 S644 I645 I650 W651 E652 | R536-E648 IonicContact CZ-OE1 2.84Å; R536-E648 IonicContact NE-OE1 2.83Å; R536-E648 IonicContact NH1-OE1 3.81Å; R536-E648 PolarHBondContact NH1-OE1 2.9Å; S644-E648 WeakPolarHBondContact O-CG 3.37Å; S644-E648 PolarHBondContact O-N 3.28Å; I645-E648 PolarHBondContact O-N 3.49Å; E648-I650 PolarHBondContact O-N 3.31Å; E648-W651 PolarHBondContact O-N 3.11Å; E648-E652 WeakPolarHBondContact O-CG 3.37Å; E648-E652 PolarHBondContact O-N 3.34Å |
| 649 | R | 91.7 | Very high | 93.3 | Very high | 172 Ų | 172 | 43.5 Ų | 43.5 | 65% | 0.649 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.3 | -43.4 | 177.9 | -173.3 | -173.1 | -59.9 | 174.1 | 2 | 112.6 | I645 T646 S653 | I645-R649 PolarHBondContact O-N 3.11Å; T646-R649 PolarHBondContact O-N 3.18Å; R649-S653 PolarHBondContact O-N 3.36Å; R649-S653 PolarHBondContact O-OG 2.66Å; R649-S653 VanDerWaalsContact O-OG 3.13Å |
| 650 | I | 92.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 178.3 | -75.3 | 173.7 | 0 | 0 | 0 | 110.3 | F570 V580 I583 V584 T646 L647 E648 E652 S653 V654 | F570-I650 HydrophobicContact CD2-CG2 4.44Å; F570-I650 HydrophobicContact CE2-CG2 3.72Å; F570-I650 HydrophobicContact CZ-CG2 3.82Å; V580-I650 HydrophobicContact CB-CD1 4.29Å; V580-I650 HydrophobicContact CB-CG1 4.39Å; V580-I650 HydrophobicContact CB-CG2 3.63Å; V580-I650 HydrophobicContact CG1-CB 4.49Å; V580-I650 HydrophobicContact CG1-CG1 4.18Å; V580-I650 HydrophobicContact CG1-CG2 3.78Å; V580-I650 HydrophobicContact CG2-CG2 3.94Å; I583-I650 HydrophobicContact CB-CD1 4.15Å; I583-I650 HydrophobicContact CG2-CD1 4.07Å; V584-I650 HydrophobicContact CG2-CD1 3.44Å; V584-I650 VanDerWaalsContact CG2-CD1 3.44Å; V584-I650 HydrophobicContact CG2-CG2 4.4Å; T646-I650 HydrophobicContact CG2-CD1 3.69Å; T646-I650 WeakPolarHBondContact O-CB 3.5Å; T646-I650 VanDerWaalsContact O-CG1 3.3Å; T646-I650 WeakPolarHBondContact O-CG1 3.28Å; T646-I650 PolarHBondContact O-N 3.34Å; L647-I650 PolarHBondContact O-N 2.86Å; E648-I650 PolarHBondContact O-N 3.31Å; I650-E652 PolarHBondContact O-N 2.97Å; I650-S653 WeakPolarHBondContact O-CB 3.41Å; I650-S653 PolarHBondContact O-N 3.49Å; I650-V654 HydrophobicContact CG2-CG2 4.28Å; I650-V654 WeakPolarHBondContact O-CG2 3.41Å; I650-V654 PolarHBondContact O-N 2.9Å |
| 651 | W | 94.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 48 Ų | 48 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 179.9 | -178.3 | -118.3 | 0 | 0 | 0 | 112.7 | L525 T529 I532 I569 F570 L647 E648 S653 V654 A655 L658 | L525-W651 HydrophobicContact CD2-CZ2 4.49Å; T529-W651 HydrophobicContact CG2-CZ2 3.65Å; T529-W651 VanDerWaalsContact N-CZ2 3.33Å; I532-W651 HydrophobicContact CD1-CB 3.6Å; I532-W651 HydrophobicContact CD1-CD2 2.99Å; I532-W651 HydrophobicContact CD1-CE3 3.11Å; I532-W651 HydrophobicContact CD1-CG 3.19Å; I532-W651 HydrophobicContact CD1-CH2 4.43Å; I532-W651 HydrophobicContact CD1-CZ2 4.34Å; I532-W651 HydrophobicContact CD1-CZ3 3.86Å; I532-W651 HydrophobicContact CG1-CD2 4.45Å; I569-W651 HydrophobicContact CG2-CZ3 4.47Å; F570-W651 AromaticContact CE1-CE3 3.92Å; F570-W651 HydrophobicContact CE1-CE3 3.92Å; F570-W651 HydrophobicContact CE1-CZ3 4.13Å; F570-W651 HydrophobicContact CZ-CE3 4.31Å; L647-W651 VanDerWaalsContact O-CB 3.24Å; L647-W651 WeakPolarHBondContact O-CB 3.37Å; L647-W651 PolarHBondContact O-N 3.42Å; E648-W651 PolarHBondContact O-N 3.11Å; W651-S653 VanDerWaalsContact C-N 3.25Å; W651-S653 PolarHBondContact O-N 3.29Å; W651-V654 HydrophobicContact CE3-CB 4.01Å; W651-V654 HydrophobicContact CE3-CG1 3.76Å; W651-V654 HydrophobicContact CH2-CG1 4.43Å; W651-V654 HydrophobicContact CZ3-CB 4.32Å; W651-V654 HydrophobicContact CZ3-CG1 3.55Å; W651-V654 PolarHBondContact O-N 3.45Å; W651-A655 HydrophobicContact CZ2-CB 4.43Å; W651-A655 WeakPolarHBondContact O-CB 3.41Å; W651-A655 PolarHBondContact O-N 2.9Å; W651-L658 HydrophobicContact CH2-CD1 4.44Å |
| 652 | E | 92.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 43.1 Ų | 43.1 | 44% | 0.444 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.2 | -41.2 | 173.9 | -74.5 | 174.9 | 170.8 | 0 | 0 | 111.6 | E648 I650 S656 | E648-E652 WeakPolarHBondContact O-CG 3.37Å; E648-E652 PolarHBondContact O-N 3.34Å; I650-E652 PolarHBondContact O-N 2.97Å; E652-S656 VanDerWaalsContact O-CB 3.27Å; E652-S656 WeakPolarHBondContact O-CB 3.43Å; E652-S656 PolarHBondContact O-N 3.26Å |
| 653 | S | 92.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 40% | 0.399 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.9 | -43.9 | 176.5 | -56 | 0 | 0 | 0 | 0 | 111.9 | R649 I650 W651 S656 V657 | R649-S653 PolarHBondContact O-N 3.36Å; R649-S653 PolarHBondContact O-OG 2.66Å; R649-S653 VanDerWaalsContact O-OG 3.13Å; I650-S653 WeakPolarHBondContact O-CB 3.41Å; I650-S653 PolarHBondContact O-N 3.49Å; W651-S653 VanDerWaalsContact C-N 3.25Å; W651-S653 PolarHBondContact O-N 3.29Å; S653-S656 PolarHBondContact O-N 2.75Å; S653-V657 PolarHBondContact O-N 3.44Å |
| 654 | V | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -50.6 | 176.6 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | F570 L575 L578 V580 I650 W651 S656 V657 L658 | F570-V654 HydrophobicContact CD1-CG1 4.34Å; F570-V654 HydrophobicContact CD1-CG2 3.99Å; F570-V654 HydrophobicContact CE1-CB 4.26Å; F570-V654 HydrophobicContact CE1-CG1 4.04Å; F570-V654 HydrophobicContact CE1-CG2 3.78Å; F570-V654 HydrophobicContact CZ-CG2 4.4Å; L575-V654 HydrophobicContact CD1-CG1 3.54Å; L575-V654 HydrophobicContact CD1-CG2 4.37Å; L575-V654 HydrophobicContact CD2-CB 4.47Å; L575-V654 HydrophobicContact CD2-CG1 3.86Å; L575-V654 HydrophobicContact CG-CG1 4.37Å; L578-V654 HydrophobicContact CD1-CB 4.29Å; L578-V654 HydrophobicContact CD1-CG2 3.66Å; V580-V654 HydrophobicContact CG2-CG2 4.27Å; I650-V654 HydrophobicContact CG2-CG2 4.28Å; I650-V654 WeakPolarHBondContact O-CG2 3.41Å; I650-V654 PolarHBondContact O-N 2.9Å; W651-V654 HydrophobicContact CE3-CB 4.01Å; W651-V654 HydrophobicContact CE3-CG1 3.76Å; W651-V654 HydrophobicContact CH2-CG1 4.43Å; W651-V654 HydrophobicContact CZ3-CB 4.32Å; W651-V654 HydrophobicContact CZ3-CG1 3.55Å; W651-V654 PolarHBondContact O-N 3.45Å; V654-S656 VanDerWaalsContact C-N 3.28Å; V654-S656 PolarHBondContact O-N 2.65Å; V654-V657 PolarHBondContact O-N 2.79Å; V654-L658 HydrophobicContact CG1-CD1 3.89Å; V654-L658 HydrophobicContact CG1-CG 4.35Å; V654-L658 WeakPolarHBondContact O-CG 3.25Å; V654-L658 PolarHBondContact O-N 2.87Å |
| 655 | A | 96.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | T379 L525 W651 V657 L658 W659 | T379-A655 HydrophobicContact CG2-CB 4.01Å; L525-A655 HydrophobicContact CD2-CB 4.26Å; W651-A655 HydrophobicContact CZ2-CB 4.43Å; W651-A655 WeakPolarHBondContact O-CB 3.41Å; W651-A655 PolarHBondContact O-N 2.9Å; A655-V657 PolarHBondContact O-N 3.32Å; A655-L658 PolarHBondContact O-N 2.84Å; A655-W659 WeakPolarHBondContact O-CB 3.37Å; A655-W659 PolarHBondContact O-N 3.5Å |
| 656 | S | 94.7 | Very high | 94 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 32% | 0.322 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.9 | -47.2 | 175.2 | -177 | 0 | 0 | 0 | 0 | 112.2 | E652 S653 V654 W659 D660 | E652-S656 VanDerWaalsContact O-CB 3.27Å; E652-S656 WeakPolarHBondContact O-CB 3.43Å; E652-S656 PolarHBondContact O-N 3.26Å; S653-S656 PolarHBondContact O-N 2.75Å; V654-S656 VanDerWaalsContact C-N 3.28Å; V654-S656 PolarHBondContact O-N 2.65Å; S656-W659 PolarHBondContact O-N 3.31Å; S656-D660 PolarHBondContact O-N 3.25Å |
| 657 | V | 94.7 | Very high | 93.9 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 25% | 0.248 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | L575 L578 S653 V654 A655 D660 H661 | L575-V657 HydrophobicContact CD2-CB 4.22Å; L575-V657 HydrophobicContact CD2-CG1 4.08Å; L578-V657 HydrophobicContact CD1-CG2 4.02Å; L578-V657 HydrophobicContact CD2-CG2 4.12Å; L578-V657 HydrophobicContact CG-CG2 4.3Å; S653-V657 PolarHBondContact O-N 3.44Å; V654-V657 PolarHBondContact O-N 2.79Å; A655-V657 PolarHBondContact O-N 3.32Å; V657-D660 PolarHBondContact O-N 3.13Å; V657-H661 PolarHBondContact O-N 3.24Å; V657-H661 PolarHBondContact O-ND1 3.21Å |
| 658 | L | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -43.7 | 179.7 | -63.8 | 176.1 | 0 | 0 | 0 | 111.6 | A521 L524 L525 L575 W651 V654 A655 D660 H661 V662 | A521-L658 HydrophobicContact CB-CB 4.42Å; A521-L658 HydrophobicContact CB-CD2 4.19Å; L524-L658 HydrophobicContact CB-CD1 3.84Å; L524-L658 HydrophobicContact CB-CD2 4.2Å; L524-L658 HydrophobicContact CD1-CD2 3.88Å; L525-L658 HydrophobicContact CD1-CB 4.06Å; L525-L658 HydrophobicContact CD2-CB 3.86Å; L525-L658 HydrophobicContact CD2-CD1 3.99Å; L525-L658 HydrophobicContact CG-CB 3.73Å; L525-L658 HydrophobicContact CG-CD1 3.93Å; L525-L658 HydrophobicContact CG-CG 4.48Å; L575-L658 HydrophobicContact CD2-CD2 3.86Å; L575-L658 HydrophobicContact CD2-CG 4.04Å; L575-L658 HydrophobicContact CG-CD2 4.32Å; W651-L658 HydrophobicContact CH2-CD1 4.44Å; V654-L658 HydrophobicContact CG1-CD1 3.89Å; V654-L658 HydrophobicContact CG1-CG 4.35Å; V654-L658 WeakPolarHBondContact O-CG 3.25Å; V654-L658 PolarHBondContact O-N 2.87Å; A655-L658 PolarHBondContact O-N 2.84Å; L658-D660 VanDerWaalsContact C-N 3.33Å; L658-D660 PolarHBondContact O-N 2.84Å; L658-H661 WeakPolarHBondContact O-CB 3.21Å; L658-H661 PolarHBondContact O-N 3.42Å; L658-V662 WeakPolarHBondContact O-CG2 3.4Å; L658-V662 PolarHBondContact O-N 2.86Å; L658-V662 VanDerWaalsContact O-N 3.08Å |
| 659 | W | 97 | Very high | 93.6 | Very high | 8 Ų | 8 | 33 Ų | 33 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -34.2 | 175.7 | -79.6 | 119.8 | 0 | 0 | 0 | 112.5 | I372 S375 L376 T379 M522 L525 A655 S656 H661 V662 L663 | I372-W659 HydrophobicContact CG2-CH2 3.63Å; I372-W659 HydrophobicContact CG2-CZ2 3.74Å; I372-W659 WeakPolarHBondContact O-CZ2 3.25Å; S375-W659 PolarHBondContact OG-NE1 3.03Å; L376-W659 HydrophobicContact CB-CD2 4.49Å; L376-W659 HydrophobicContact CB-CH2 4.13Å; L376-W659 HydrophobicContact CB-CZ2 3.65Å; L376-W659 HydrophobicContact CD1-CD2 3.54Å; L376-W659 HydrophobicContact CD1-CE3 3.62Å; L376-W659 HydrophobicContact CD1-CG 4.02Å; L376-W659 HydrophobicContact CD1-CH2 4.17Å; L376-W659 HydrophobicContact CD1-CZ2 4.11Å; L376-W659 HydrophobicContact CD1-CZ3 3.94Å; L376-W659 HydrophobicContact CD2-CH2 4.42Å; L376-W659 HydrophobicContact CG-CH2 4.49Å; L376-W659 HydrophobicContact CG-CZ2 4.38Å; T379-W659 HydrophobicContact CG2-CG 4.42Å; M522-W659 HydrophobicContact SD-CH2 4.4Å; M522-W659 HydrophobicContact SD-CZ3 4.13Å; L525-W659 HydrophobicContact CD1-CD2 3.72Å; L525-W659 HydrophobicContact CD1-CE3 4Å; L525-W659 HydrophobicContact CD1-CG 4.2Å; L525-W659 HydrophobicContact CD1-CH2 4.33Å; L525-W659 HydrophobicContact CD1-CZ2 4.05Å; L525-W659 HydrophobicContact CD1-CZ3 4.3Å; L525-W659 HydrophobicContact CD2-CG 4.45Å; A655-W659 WeakPolarHBondContact O-CB 3.37Å; A655-W659 PolarHBondContact O-N 3.5Å; S656-W659 PolarHBondContact O-N 3.31Å; W659-H661 VanDerWaalsContact C-N 3.31Å; W659-H661 PolarHBondContact O-N 3.01Å; W659-V662 HydrophobicContact CE3-CB 4.06Å; W659-V662 HydrophobicContact CE3-CG1 4.09Å; W659-V662 HydrophobicContact CZ3-CB 4.46Å; W659-V662 HydrophobicContact CZ3-CG1 4.02Å; W659-V662 PolarHBondContact O-N 2.83Å; W659-L663 WeakPolarHBondContact O-CB 3.48Å; W659-L663 VanDerWaalsContact O-CG 3.31Å; W659-L663 WeakPolarHBondContact O-CG 3.43Å; W659-L663 PolarHBondContact O-N 2.87Å |
| 660 | D | 94.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 25.3 Ų | 25.3 | 27% | 0.267 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 172.9 | -170 | 67.3 | 0 | 0 | 0 | 111.4 | K383 S656 V657 L658 S664 | K383-D660 IonicContact NZ-OD1 3.77Å; K383-D660 PolarHBondContact NZ-OD1 2.84Å; K383-D660 IonicContact NZ-OD2 2.62Å; K383-D660 PolarHBondContact NZ-OD2 2.79Å; S656-D660 PolarHBondContact O-N 3.25Å; V657-D660 PolarHBondContact O-N 3.13Å; L658-D660 VanDerWaalsContact C-N 3.33Å; L658-D660 PolarHBondContact O-N 2.84Å; D660-S664 WeakPolarHBondContact O-CB 3.45Å; D660-S664 PolarHBondContact O-N 2.93Å; D660-S664 PolarHBondContact O-OG 2.89Å |
| 661 | H | 94.5 | Very high | 92.2 | Very high | 63 Ų | 63 | 28.9 Ų | 28.9 | 29% | 0.292 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 174.4 | -73.1 | 81.7 | 0 | 0 | 0 | 112.2 | A521 V657 L658 W659 G665 | A521-H661 HydrophobicContact CB-CB 3.95Å; V657-H661 PolarHBondContact O-N 3.24Å; V657-H661 PolarHBondContact O-ND1 3.21Å; L658-H661 WeakPolarHBondContact O-CB 3.21Å; L658-H661 PolarHBondContact O-N 3.42Å; W659-H661 VanDerWaalsContact C-N 3.31Å; W659-H661 PolarHBondContact O-N 3.01Å; H661-G665 PolarHBondContact O-N 2.8Å |
| 662 | V | 96.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -52.3 | -179 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | I518 A521 M522 L525 L658 W659 G665 L666 | I518-V662 HydrophobicContact CG1-CG1 4.45Å; A521-V662 HydrophobicContact CB-CG2 3.76Å; M522-V662 HydrophobicContact CG-CG1 4.2Å; M522-V662 HydrophobicContact CG-CG2 3.72Å; M522-V662 HydrophobicContact SD-CB 4.24Å; M522-V662 HydrophobicContact SD-CG1 3.65Å; M522-V662 HydrophobicContact SD-CG2 3.58Å; M522-V662 VanDerWaalsContact SD-CG2 3.58Å; L525-V662 HydrophobicContact CD1-CG2 4.11Å; L658-V662 WeakPolarHBondContact O-CG2 3.4Å; L658-V662 PolarHBondContact O-N 2.86Å; L658-V662 VanDerWaalsContact O-N 3.08Å; W659-V662 HydrophobicContact CE3-CB 4.06Å; W659-V662 HydrophobicContact CE3-CG1 4.09Å; W659-V662 HydrophobicContact CZ3-CB 4.46Å; W659-V662 HydrophobicContact CZ3-CG1 4.02Å; W659-V662 PolarHBondContact O-N 2.83Å; V662-G665 PolarHBondContact O-N 3.01Å; V662-L666 HydrophobicContact CG1-CD1 4.19Å; V662-L666 WeakPolarHBondContact O-CG 3.32Å; V662-L666 PolarHBondContact O-N 3.41Å |
| 663 | L | 96.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -35.9 | -177.4 | -64.6 | 172.8 | 0 | 0 | 0 | 111.6 | L376 I386 L389 R390 R393 W659 L666 A667 | L376-L663 HydrophobicContact CD1-CD1 4.28Å; I386-L663 HydrophobicContact CD1-CB 4.21Å; I386-L663 HydrophobicContact CG2-CB 3.74Å; I386-L663 HydrophobicContact CG2-CD1 3.67Å; I386-L663 HydrophobicContact CG2-CG 4.37Å; L389-L663 HydrophobicContact CD2-CB 4.41Å; L389-L663 HydrophobicContact CD2-CD2 4.19Å; L389-L663 WeakPolarHBondContact CD2-O 3.46Å; L389-L663 HydrophobicContact CG-CD2 4.1Å; R390-L663 HydrophobicContact CB-CD1 3.92Å; R390-L663 HydrophobicContact CG-CD1 4.2Å; R393-L663 HydrophobicContact CG-CD2 4.06Å; W659-L663 WeakPolarHBondContact O-CB 3.48Å; W659-L663 VanDerWaalsContact O-CG 3.31Å; W659-L663 WeakPolarHBondContact O-CG 3.43Å; W659-L663 PolarHBondContact O-N 2.87Å; L663-L666 PolarHBondContact O-N 3.34Å; L663-A667 WeakPolarHBondContact O-CB 3.39Å; L663-A667 PolarHBondContact O-N 2.85Å |
| 664 | S | 93.3 | Very high | 85.1 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | 174.1 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | D660 L666 A667 D668 | D660-S664 WeakPolarHBondContact O-CB 3.45Å; D660-S664 PolarHBondContact O-N 2.93Å; D660-S664 PolarHBondContact O-OG 2.89Å; S664-L666 VanDerWaalsContact C-N 3.3Å; S664-L666 PolarHBondContact O-N 2.98Å; S664-A667 PolarHBondContact O-N 2.81Å; S664-A667 VanDerWaalsContact O-N 3.13Å; S664-D668 VanDerWaalsContact O-CG 3.29Å; S664-D668 PolarHBondContact O-N 2.89Å |
| 665 | G | 92.1 | Very high | 82 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -32.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | P505 H661 V662 | P505-G665 WeakPolarHBondContact CB-O 3.23Å; H661-G665 PolarHBondContact O-N 2.8Å; V662-G665 PolarHBondContact O-N 3.01Å |
| 666 | L | 93.4 | Very high | 78.8 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.7 | -39.2 | 171.1 | -69.5 | 176 | 0 | 0 | 0 | 112 | L389 P505 V506 I518 V662 L663 S664 D668 L669 V711 | L389-L666 HydrophobicContact CD2-CB 4.02Å; P505-L666 HydrophobicContact CB-CD2 4.42Å; V506-L666 HydrophobicContact CG2-CD2 4.27Å; I518-L666 HydrophobicContact CD1-CD2 3.98Å; I518-L666 HydrophobicContact CD1-CG 3.87Å; V662-L666 HydrophobicContact CG1-CD1 4.19Å; V662-L666 WeakPolarHBondContact O-CG 3.32Å; V662-L666 PolarHBondContact O-N 3.41Å; L663-L666 PolarHBondContact O-N 3.34Å; S664-L666 VanDerWaalsContact C-N 3.3Å; S664-L666 PolarHBondContact O-N 2.98Å; L666-D668 PolarHBondContact O-N 2.75Å; L666-L669 VanDerWaalsContact O-CB 3.31Å; L666-L669 WeakPolarHBondContact O-CB 3.34Å; L666-L669 PolarHBondContact O-N 3.4Å; L666-V711 HydrophobicContact CB-CG1 4.13Å |
| 667 | A | 90.8 | Very high | 75.7 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -26 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V385 I386 L389 L663 S664 L669 S670 N671 | V385-A667 HydrophobicContact CG1-CB 4.36Å; I386-A667 HydrophobicContact CD1-CB 4.01Å; L389-A667 HydrophobicContact CD2-CB 4.07Å; L663-A667 WeakPolarHBondContact O-CB 3.39Å; L663-A667 PolarHBondContact O-N 2.85Å; S664-A667 PolarHBondContact O-N 2.81Å; S664-A667 VanDerWaalsContact O-N 3.13Å; A667-L669 PolarHBondContact O-N 2.87Å; A667-S670 WeakPolarHBondContact O-CA 3.24Å; A667-S670 WeakPolarHBondContact O-CB 3.31Å; A667-S670 PolarHBondContact O-N 2.78Å; A667-S670 PolarHBondContact O-OG 2.87Å; A667-N671 PolarHBondContact O-N 2.8Å |
| 668 | D | 87.9 | Confident | 72.6 | Confident | 72 Ų | 72 | 56.4 Ų | 56.4 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -59.4 | -27 | 174.3 | -71.4 | -23.1 | 0 | 0 | 0 | 113.1 | I484 S664 L666 S670 N671 | I484-D668 HydrophobicContact CD1-CB 4.17Å; S664-D668 VanDerWaalsContact O-CG 3.29Å; S664-D668 PolarHBondContact O-N 2.89Å; L666-D668 PolarHBondContact O-N 2.75Å; D668-S670 PolarHBondContact O-N 3.09Å; D668-N671 PolarHBondContact O-N 2.76Å; D668-N671 VanDerWaalsContact O-N 3.13Å |
| 669 | L | 86.3 | Confident | 69.3 | Low | 7 Ų | 7 | 66.1 Ų | 66.1 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -59.4 | -36.5 | 170.7 | -64.5 | 168.4 | 0 | 0 | 0 | 111.2 | T482 I484 P505 V506 L666 A667 L688 V711 | T482-L669 WeakPolarHBondContact O-CD2 3.29Å; I484-L669 HydrophobicContact CG1-CD2 4.46Å; P505-L669 HydrophobicContact CG-CD2 4.15Å; P505-L669 HydrophobicContact CG-CG 4.36Å; V506-L669 HydrophobicContact CG2-CD1 3.79Å; L666-L669 VanDerWaalsContact O-CB 3.31Å; L666-L669 WeakPolarHBondContact O-CB 3.34Å; L666-L669 PolarHBondContact O-N 3.4Å; A667-L669 PolarHBondContact O-N 2.87Å; L669-L688 HydrophobicContact CB-CD1 4.35Å; L669-L688 VanDerWaalsContact O-CD1 3.25Å; L669-L688 WeakPolarHBondContact O-CD1 3.41Å; L669-V711 HydrophobicContact CB-CG2 4.15Å; L669-V711 HydrophobicContact CD1-CG1 4.25Å |
| 670 | S | 82.4 | Confident | 66.3 | Low | 9 Ų | 9 | 75.3 Ų | 75.3 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -80.3 | -13.8 | 178.1 | 74.6 | 0 | 0 | 0 | 0 | 114.3 | A667 D668 Y685 | A667-S670 WeakPolarHBondContact O-CA 3.24Å; A667-S670 WeakPolarHBondContact O-CB 3.31Å; A667-S670 PolarHBondContact O-N 2.78Å; A667-S670 PolarHBondContact O-OG 2.87Å; D668-S670 PolarHBondContact O-N 3.09Å; S670-Y685 WeakPolarHBondContact O-CE1 3.23Å; S670-Y685 VanDerWaalsContact O-CZ 3.24Å; S670-Y685 PolarHBondContact O-OH 2.73Å |
| 671 | N | 72.5 | Confident | 63.3 | Low | 90 Ų | 90 | 76.3 Ų | 76.3 | 48% | 0.481 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -92.6 | 3 | -174.4 | -70.9 | -30.4 | 0 | 0 | 0 | 114.1 | A667 D668 Q673 | A667-N671 PolarHBondContact O-N 2.8Å; D668-N671 PolarHBondContact O-N 2.76Å; D668-N671 VanDerWaalsContact O-N 3.13Å; N671-Q673 VanDerWaalsContact C-N 3.29Å; N671-Q673 PolarHBondContact O-N 3.34Å |
| 672 | Q | 56.8 | Low | 60.4 | Low | 47 Ų | 47 | 76.7 Ų | 76.7 | 22% | 0.22 | 45% | 0.454 | C | S | . | . | trans | -70.7 | 74.5 | 179.7 | -67.5 | -172.5 | -8 | 0 | 0 | 113 | I484 N684 | I484-Q672 PolarHBondContact O-NE2 2.67Å; Q672-N684 PolarHBondContact OE1-ND2 3.46Å | ||
| 673 | Q | 41.5 | Very low | 57.9 | Low | 160 Ų | 160 | 78.7 Ų | 78.7 | 75% | 0.748 | 48% | 0.476 | S | S | * | . | trans | -101.8 | -11.6 | 164.3 | -83.1 | -170.3 | -7.1 | 0 | 0 | 113.4 | N671 Y685 | N671-Q673 VanDerWaalsContact C-N 3.29Å; N671-Q673 PolarHBondContact O-N 3.34Å; Q673-Y685 HydrophobicContact CG-CE2 3.96Å | ||
| 674 | S | 33.8 | Very low | 56.3 | Low | 100 Ų | 100 | 81.3 Ų | 81.3 | 70% | 0.699 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -115.8 | 85.4 | -171 | 46.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 675 | L | 29.8 | Very low | 55.1 | Low | 177 Ų | 177 | 83.9 Ų | 83.9 | 93% | 0.927 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 161.2 | 65.2 | 151.2 | -85.3 | 148.8 | 0 | 0 | 0 | 112.5 | ||
| 676 | S | 29 | Very low | 54.3 | Low | 94 Ų | 94 | 86.1 Ų | 86.1 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | trans | -160.2 | 91.1 | 147.8 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | S678 | S676-S678 PolarHBondContact O-N 2.88Š| ||
| 677 | V | 30.2 | Very low | 53.8 | Low | 158 Ų | 158 | 90.5 Ų | 90.5 | 96% | 0.958 | 53% | 0.532 | S | S | * | . | trans | -77.4 | 76.7 | 167.6 | -179 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 678 | S | 28.9 | Very low | 53.5 | Low | 95 Ų | 95 | 91.2 Ų | 91.2 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | trans | -164.2 | 101 | 164.7 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | S676 | S676-S678 PolarHBondContact O-N 2.88Š| ||
| 679 | K | 28.6 | Very low | 53.5 | Low | 203 Ų | 203 | 88.8 Ų | 88.8 | 88% | 0.883 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 41.4 | 114.7 | 148.3 | -67 | -175.2 | 174.3 | -176.8 | 0 | 119.4 | ||
| 680 | E | 33.9 | Very low | 53.6 | Low | 202 Ų | 202 | 89.7 Ų | 89.7 | 94% | 0.944 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 55.9 | 69.3 | 145.5 | -63.6 | 180 | 174.7 | 0 | 0 | 116.7 | ||
| 681 | G | 31.7 | Very low | 53.8 | Low | 71 Ų | 71 | 89.6 Ų | 89.6 | 73% | 0.732 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -166.9 | 128.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G683 | G681-G683 PolarHBondContact O-N 2.8Š|
| 682 | G | 33.2 | Very low | 54.6 | Low | 70 Ų | 70 | 85.3 Ų | 85.3 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | trans | -53.4 | 135.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S686 | G682-S686 PolarHBondContact O-OG 3.47Š| ||
| 683 | G | 43.9 | Very low | 56.2 | Low | 46 Ų | 46 | 89 Ų | 89 | 47% | 0.474 | 52% | 0.524 | S | S | . | . | trans | -70.3 | 177.5 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | G681 Y685 S686 | G681-G683 PolarHBondContact O-N 2.8Å; G683-Y685 PolarHBondContact O-N 2.94Å; G683-S686 PolarHBondContact O-N 3.04Å; G683-S686 PolarHBondContact O-OG 2.9Å | ||
| 684 | N | 62 | Low | 58.5 | Low | 58 Ų | 58 | 86.2 Ų | 86.2 | 31% | 0.31 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -20.3 | -175.6 | -66.2 | 9.9 | 0 | 0 | 0 | 116.1 | Q672 S686 D687 L688 | Q672-N684 PolarHBondContact OE1-ND2 3.46Å; N684-S686 VanDerWaalsContact C-N 3.27Å; N684-S686 PolarHBondContact O-N 3.04Å; N684-D687 PolarHBondContact O-N 3.22Å; N684-L688 PolarHBondContact O-N 3.39Å; N684-L688 VanDerWaalsContact O-N 3.07Å |
| 685 | Y | 69.1 | Low | 61 | Low | 85 Ų | 85 | 81.8 Ų | 81.8 | 33% | 0.333 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.8 | -42.3 | 171.2 | -72.4 | -64.1 | 0 | 0 | 0 | 112.3 | S670 Q673 G683 D687 I689 V707 | S670-Y685 WeakPolarHBondContact O-CE1 3.23Å; S670-Y685 VanDerWaalsContact O-CZ 3.24Å; S670-Y685 PolarHBondContact O-OH 2.73Å; Q673-Y685 HydrophobicContact CG-CE2 3.96Å; G683-Y685 PolarHBondContact O-N 2.94Å; Y685-D687 VanDerWaalsContact C-N 3.31Å; Y685-D687 PolarHBondContact O-N 3.09Å; Y685-I689 WeakPolarHBondContact O-CG1 3.41Å; Y685-I689 PolarHBondContact O-N 3.03Å; Y685-I689 VanDerWaalsContact O-N 3.11Å; Y685-V707 HydrophobicContact CD1-CB 4.22Å; Y685-V707 HydrophobicContact CD1-CG1 3.86Å; Y685-V707 HydrophobicContact CD1-CG2 3.43Å; Y685-V707 VanDerWaalsContact CD1-CG2 3.43Å; Y685-V707 HydrophobicContact CE1-CG1 4.13Å; Y685-V707 HydrophobicContact CE1-CG2 4.05Å; Y685-V707 HydrophobicContact CG-CG2 4.31Å |
| 686 | S | 75.1 | Confident | 63.6 | Low | 59 Ų | 59 | 75.1 Ų | 75.1 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.6 | -35.9 | 177.2 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | G682 G683 N684 A690 | G682-S686 PolarHBondContact O-OG 3.47Å; G683-S686 PolarHBondContact O-N 3.04Å; G683-S686 PolarHBondContact O-OG 2.9Å; N684-S686 VanDerWaalsContact C-N 3.27Å; N684-S686 PolarHBondContact O-N 3.04Å; S686-A690 WeakPolarHBondContact O-CB 3.45Å; S686-A690 PolarHBondContact O-N 3.31Å |
| 687 | D | 82.2 | Confident | 66.1 | Low | 94 Ų | 94 | 72 Ų | 72 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 178.9 | -64.8 | -38.6 | 0 | 0 | 0 | 112.3 | N684 Y685 A690 E691 | N684-D687 PolarHBondContact O-N 3.22Å; Y685-D687 VanDerWaalsContact C-N 3.31Å; Y685-D687 PolarHBondContact O-N 3.09Å; D687-A690 PolarHBondContact O-N 3.13Å; D687-E691 VanDerWaalsContact O-CB 3.29Å; D687-E691 WeakPolarHBondContact O-CB 3.47Å; D687-E691 PolarHBondContact O-N 2.95Å |
| 688 | L | 85.6 | Confident | 67.9 | Low | 18 Ų | 18 | 70 Ų | 70 | 9% | 0.094 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 175.8 | -76.7 | 175.9 | 0 | 0 | 0 | 112.3 | L669 N684 E691 A692 V707 I714 | L669-L688 HydrophobicContact CB-CD1 4.35Å; L669-L688 VanDerWaalsContact O-CD1 3.25Å; L669-L688 WeakPolarHBondContact O-CD1 3.41Å; N684-L688 PolarHBondContact O-N 3.39Å; N684-L688 VanDerWaalsContact O-N 3.07Å; L688-E691 PolarHBondContact O-N 3.26Å; L688-A692 WeakPolarHBondContact O-CB 3.49Å; L688-A692 PolarHBondContact O-N 3.1Å; L688-V707 HydrophobicContact CD1-CG1 4.39Å; L688-I714 HydrophobicContact CD2-CD1 4.1Å |
| 689 | I | 87.8 | Confident | 69.9 | Low | 21 Ų | 21 | 72.7 Ų | 72.7 | 11% | 0.108 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 175.4 | -70.3 | 166.5 | 0 | 0 | 0 | 109.6 | Y685 E691 A692 E693 I703 D705 V707 A710 | Y685-I689 WeakPolarHBondContact O-CG1 3.41Å; Y685-I689 PolarHBondContact O-N 3.03Å; Y685-I689 VanDerWaalsContact O-N 3.11Å; I689-E691 VanDerWaalsContact C-N 3.29Å; I689-E691 PolarHBondContact O-N 3.09Å; I689-A692 WeakPolarHBondContact O-CB 3.09Å; I689-A692 PolarHBondContact O-N 3.31Å; I689-E693 WeakPolarHBondContact O-CG 3.15Å; I689-E693 PolarHBondContact O-N 3.14Å; I689-I703 HydrophobicContact CG1-CG2 4.45Å; I689-I703 HydrophobicContact CG2-CG2 4.11Å; I689-D705 HydrophobicContact CD1-CB 4.43Å; I689-V707 HydrophobicContact CD1-CG2 4.16Å; I689-V707 HydrophobicContact CG1-CG2 4.49Å; I689-A710 HydrophobicContact CG1-CB 4.27Å |
| 690 | A | 86.7 | Confident | 72.1 | Confident | 27 Ų | 27 | 64 Ų | 64 | 22% | 0.223 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S686 D687 E693 R694 | S686-A690 WeakPolarHBondContact O-CB 3.45Å; S686-A690 PolarHBondContact O-N 3.31Å; D687-A690 PolarHBondContact O-N 3.13Å; A690-E693 PolarHBondContact O-N 3.09Å; A690-R694 VanDerWaalsContact O-CG 3.3Å; A690-R694 WeakPolarHBondContact O-CG 3.4Å; A690-R694 PolarHBondContact O-N 3.34Å; A690-R694 PolarHBondContact O-NH1 3.4Å |
| 691 | E | 87.6 | Confident | 73.8 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 174.4 | -178.1 | 45.8 | -135.6 | 0 | 0 | 111.8 | S472 D687 L688 I689 E693 R694 S695 I714 | S472-E691 WeakPolarHBondContact CB-OE1 3.33Å; D687-E691 VanDerWaalsContact O-CB 3.29Å; D687-E691 WeakPolarHBondContact O-CB 3.47Å; D687-E691 PolarHBondContact O-N 2.95Å; L688-E691 PolarHBondContact O-N 3.26Å; I689-E691 VanDerWaalsContact C-N 3.29Å; I689-E691 PolarHBondContact O-N 3.09Å; E691-E693 VanDerWaalsContact C-N 3.32Å; E691-E693 PolarHBondContact O-N 2.95Å; E691-R694 PolarHBondContact O-N 3.14Å; E691-R694 IonicContact OE2-CZ 3.07Å; E691-R694 IonicContact OE2-NE 3.54Å; E691-R694 PolarHBondContact OE2-NE 2.89Å; E691-R694 IonicContact OE2-NH2 3.43Å; E691-R694 PolarHBondContact OE2-NH2 2.96Å; E691-S695 VanDerWaalsContact O-CB 3.24Å; E691-S695 WeakPolarHBondContact O-CB 3.36Å; E691-S695 PolarHBondContact O-N 2.92Å; E691-S695 PolarHBondContact O-OG 3.33Å; E691-S695 PolarHBondContact OE1-OG 2.74Å; E691-I714 HydrophobicContact CB-CD1 4.25Å; E691-I714 HydrophobicContact CG-CD1 4.12Å; E691-I714 HydrophobicContact CG-CG1 4.38Å |
| 692 | A | 89.8 | Confident | 75.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L688 I689 R694 S695 A696 I703 A710 I713 I714 | L688-A692 WeakPolarHBondContact O-CB 3.49Å; L688-A692 PolarHBondContact O-N 3.1Å; I689-A692 WeakPolarHBondContact O-CB 3.09Å; I689-A692 PolarHBondContact O-N 3.31Å; A692-R694 PolarHBondContact O-N 3.03Å; A692-S695 CarbonylContact O-C 3.54Å; A692-S695 PolarHBondContact O-N 2.86Å; A692-A696 WeakPolarHBondContact O-CA 3.35Å; A692-A696 WeakPolarHBondContact O-CB 3.33Å; A692-A696 PolarHBondContact O-N 2.62Å; A692-I703 HydrophobicContact CB-CD1 3.76Å; A692-A710 HydrophobicContact CB-CB 3.55Å; A692-I713 HydrophobicContact CB-CB 4.45Å; A692-I713 HydrophobicContact CB-CG2 4.37Å; A692-I714 HydrophobicContact CB-CD1 4.12Å; A692-I714 HydrophobicContact CB-CG1 3.9Å |
| 693 | E | 89.3 | Confident | 78 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 58% | 0.579 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 174.6 | -73.2 | 179.1 | 165.8 | 0 | 0 | 112.6 | I689 A690 E691 S695 I703 | I689-E693 WeakPolarHBondContact O-CG 3.15Å; I689-E693 PolarHBondContact O-N 3.14Å; A690-E693 PolarHBondContact O-N 3.09Å; E691-E693 VanDerWaalsContact C-N 3.32Å; E691-E693 PolarHBondContact O-N 2.95Å; E693-S695 VanDerWaalsContact C-N 3.33Å; E693-I703 HydrophobicContact CB-CD1 4.3Å; E693-I703 HydrophobicContact CG-CD1 3.52Å |
| 694 | R | 89 | Confident | 79.7 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.4 | -33.9 | 175.2 | -72.7 | -174.9 | -58.5 | -99.1 | 12.2 | 112.5 | K471 A690 E691 A692 | K471-R694 HydrophobicContact CB-CB 4.27Å; K471-R694 HydrophobicContact CB-CG 4.42Å; K471-R694 WeakPolarHBondContact O-CD 3.46Å; A690-R694 VanDerWaalsContact O-CG 3.3Å; A690-R694 WeakPolarHBondContact O-CG 3.4Å; A690-R694 PolarHBondContact O-N 3.34Å; A690-R694 PolarHBondContact O-NH1 3.4Å; E691-R694 PolarHBondContact O-N 3.14Å; E691-R694 IonicContact OE2-CZ 3.07Å; E691-R694 IonicContact OE2-NE 3.54Å; E691-R694 PolarHBondContact OE2-NE 2.89Å; E691-R694 IonicContact OE2-NH2 3.43Å; E691-R694 PolarHBondContact OE2-NH2 2.96Å; A692-R694 PolarHBondContact O-N 3.03Å |
| 695 | S | 87 | Confident | 80.4 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -89.7 | -17.4 | -176.9 | -80.1 | 0 | 0 | 0 | 0 | 114.1 | S472 M478 E691 A692 E693 S717 | S472-S695 VanDerWaalsContact CB-OG 3.28Å; S472-S695 WeakPolarHBondContact CB-OG 3.14Å; S472-S695 PolarHBondContact OG-OG 2.84Å; M478-S695 WeakPolarHBondContact CE-OG 3.17Å; E691-S695 VanDerWaalsContact O-CB 3.24Å; E691-S695 WeakPolarHBondContact O-CB 3.36Å; E691-S695 PolarHBondContact O-N 2.92Å; E691-S695 PolarHBondContact O-OG 3.33Å; E691-S695 PolarHBondContact OE1-OG 2.74Å; A692-S695 CarbonylContact O-C 3.54Å; A692-S695 PolarHBondContact O-N 2.86Å; E693-S695 VanDerWaalsContact C-N 3.33Å; S695-S717 WeakPolarHBondContact O-CB 3.48Å; S695-S717 PolarHBondContact O-OG 2.96Å |
| 696 | A | 85.1 | Confident | 81.3 | Confident | 37 Ų | 37 | 60.6 Ų | 60.6 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 148.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A692 M700 I713 | A692-A696 WeakPolarHBondContact O-CA 3.35Å; A692-A696 WeakPolarHBondContact O-CB 3.33Å; A692-A696 PolarHBondContact O-N 2.62Å; A696-M700 HydrophobicContact CB-CB 4.31Å; A696-M700 HydrophobicContact CB-CG 4.34Å; A696-I713 HydrophobicContact CB-CG2 4.02Å |
| 697 | Y | 80.3 | Confident | 81.9 | Confident | 28 Ų | 28 | 58.9 Ų | 58.9 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -98 | 160 | 173.7 | 52.5 | -100.3 | 0 | 0 | 0 | 112 | Q399 R403 N699 M700 | Q399-Y697 WeakPolarHBondContact CB-OH 3.29Å; Q399-Y697 PolarHBondContact OE1-OH 3.03Å; R403-Y697 VanDerWaalsContact NH2-CD1 3.33Å; Y697-N699 PolarHBondContact O-N 2.85Å; Y697-M700 HydrophobicContact CD1-CE 3.75Å; Y697-M700 HydrophobicContact CD1-CG 3.53Å; Y697-M700 HydrophobicContact CD1-SD 4.2Å; Y697-M700 HydrophobicContact CD2-CB 4.2Å; Y697-M700 HydrophobicContact CD2-CG 3.65Å; Y697-M700 HydrophobicContact CE1-CE 2.93Å; Y697-M700 HydrophobicContact CE1-CG 3.42Å; Y697-M700 VanDerWaalsContact CE1-CG 3.42Å; Y697-M700 HydrophobicContact CE1-SD 3.46Å; Y697-M700 WeakPolarHBondContact CE1-SD 3.39Å; Y697-M700 HydrophobicContact CE2-CB 4.12Å; Y697-M700 HydrophobicContact CE2-CE 4.42Å; Y697-M700 HydrophobicContact CE2-CG 3.48Å; Y697-M700 VanDerWaalsContact CE2-CG 3.48Å; Y697-M700 HydrophobicContact CE2-SD 3.84Å; Y697-M700 HydrophobicContact CG-CG 3.67Å; Y697-M700 WeakPolarHBondContact O-CB 3.37Å; Y697-M700 PolarHBondContact O-N 3.14Å; Y697-M700 WeakPolarHBondContact OH-CE 3.49Å; Y697-M700 PolarHBondContact OH-SD 3.33Å |
| 698 | P | 69.6 | Low | 82.4 | Confident | 115 Ų | 115 | 55.3 Ų | 55.3 | 75% | 0.747 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 126.7 | 172.8 | -20.8 | 32.2 | 0 | 0 | 0 | 110 | ||
| 699 | N | 69.3 | Low | 82.6 | Confident | 152 Ų | 152 | 54.8 Ų | 54.8 | 81% | 0.813 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 12.4 | -175.6 | -42 | -34.3 | 0 | 0 | 0 | 116.5 | Y697 | Y697-N699 PolarHBondContact O-N 2.85Š|
| 700 | M | 74.7 | Confident | 82.8 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 161.5 | 162 | -101.7 | -61.3 | -165.5 | 0 | 0 | 111 | S396 Q399 A696 Y697 I713 D716 | S396-M700 WeakPolarHBondContact OG-CE 3.49Å; Q399-M700 PolarHBondContact OE1-SD 3.44Å; A696-M700 HydrophobicContact CB-CB 4.31Å; A696-M700 HydrophobicContact CB-CG 4.34Å; Y697-M700 HydrophobicContact CD1-CE 3.75Å; Y697-M700 HydrophobicContact CD1-CG 3.53Å; Y697-M700 HydrophobicContact CD1-SD 4.2Å; Y697-M700 HydrophobicContact CD2-CB 4.2Å; Y697-M700 HydrophobicContact CD2-CG 3.65Å; Y697-M700 HydrophobicContact CE1-CE 2.93Å; Y697-M700 HydrophobicContact CE1-CG 3.42Å; Y697-M700 VanDerWaalsContact CE1-CG 3.42Å; Y697-M700 HydrophobicContact CE1-SD 3.46Å; Y697-M700 WeakPolarHBondContact CE1-SD 3.39Å; Y697-M700 HydrophobicContact CE2-CB 4.12Å; Y697-M700 HydrophobicContact CE2-CE 4.42Å; Y697-M700 HydrophobicContact CE2-CG 3.48Å; Y697-M700 VanDerWaalsContact CE2-CG 3.48Å; Y697-M700 HydrophobicContact CE2-SD 3.84Å; Y697-M700 HydrophobicContact CG-CG 3.67Å; Y697-M700 WeakPolarHBondContact O-CB 3.37Å; Y697-M700 PolarHBondContact O-N 3.14Å; Y697-M700 WeakPolarHBondContact OH-CE 3.49Å; Y697-M700 PolarHBondContact OH-SD 3.33Å; M700-I713 HydrophobicContact CE-CB 4.23Å; M700-I713 HydrophobicContact CE-CG1 3.9Å; M700-I713 HydrophobicContact CE-CG2 4.1Å; M700-I713 HydrophobicContact CG-CG1 4.45Å; M700-I713 HydrophobicContact CG-CG2 4.48Å; M700-I713 HydrophobicContact SD-CD1 4.44Å; M700-I713 HydrophobicContact SD-CG1 3.88Å; M700-D716 HydrophobicContact CE-CB 4.35Å |
| 701 | L | 69.7 | Low | 83 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 137.9 | 166.5 | -75.1 | 166.2 | 0 | 0 | 0 | 110.9 | I395 I703 T709 | I395-L701 HydrophobicContact CB-CD1 4.05Å; I395-L701 HydrophobicContact CG2-CD1 3.63Å; I395-L701 HydrophobicContact CG2-CD2 4.09Å; I395-L701 HydrophobicContact CG2-CG 4.12Å; L701-I703 PolarHBondContact O-N 3.29Å; L701-T709 HydrophobicContact CB-CG2 4.24Å; L701-T709 HydrophobicContact CD1-CG2 4.44Å |
| 702 | P | 74.1 | Confident | 83.3 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 56% | 0.558 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 127.4 | 168.3 | 28.5 | -32.8 | 0 | 0 | 0 | 108.6 | N704 | P702-N704 VanDerWaalsContact C-N 3.25Å; P702-N704 PolarHBondContact O-N 3.42Å |
| 703 | I | 79.5 | Confident | 83.4 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | trans | -63.3 | -34.3 | -177 | -66.7 | 158.8 | 0 | 0 | 0 | 110.8 | I689 A692 E693 L701 D705 N706 A710 I713 | I689-I703 HydrophobicContact CG1-CG2 4.45Å; I689-I703 HydrophobicContact CG2-CG2 4.11Å; A692-I703 HydrophobicContact CB-CD1 3.76Å; E693-I703 HydrophobicContact CB-CD1 4.3Å; E693-I703 HydrophobicContact CG-CD1 3.52Å; L701-I703 PolarHBondContact O-N 3.29Å; I703-D705 PolarHBondContact O-N 3.04Å; I703-D705 VanDerWaalsContact O-N 3.12Å; I703-N706 WeakPolarHBondContact O-CB 3.44Å; I703-N706 PolarHBondContact O-N 3.25Å; I703-A710 HydrophobicContact CG2-CB 4.19Å; I703-I713 HydrophobicContact CD1-CD1 4.26Å; I703-I713 HydrophobicContact CG1-CD1 3.55Å | ||
| 704 | N | 80.7 | Confident | 83.6 | Confident | 131 Ų | 131 | 46.4 Ų | 46.4 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 40.3 | 177.1 | -67.1 | -23 | 0 | 0 | 0 | 113.3 | P702 N706 | P702-N704 VanDerWaalsContact C-N 3.25Å; P702-N704 PolarHBondContact O-N 3.42Å; N704-N706 PolarHBondContact O-N 3.42Å |
| 705 | D | 76.4 | Confident | 83.8 | Confident | 130 Ų | 130 | 41.8 Ų | 41.8 | 70% | 0.695 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 15.2 | -174.1 | -58.6 | -31.9 | 0 | 0 | 0 | 115.6 | I689 I703 V707 | I689-D705 HydrophobicContact CD1-CB 4.43Å; I703-D705 PolarHBondContact O-N 3.04Å; I703-D705 VanDerWaalsContact O-N 3.12Å; D705-V707 PolarHBondContact O-N 3.01Å |
| 706 | N | 87.3 | Confident | 84.2 | Confident | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | trans | -83.2 | 107.9 | 175.1 | -175.4 | -2.9 | 0 | 0 | 0 | 110.6 | I703 N704 L708 T709 A710 | I703-N706 WeakPolarHBondContact O-CB 3.44Å; I703-N706 PolarHBondContact O-N 3.25Å; N704-N706 PolarHBondContact O-N 3.42Å; N706-L708 VanDerWaalsContact C-N 3.26Å; N706-L708 PolarHBondContact O-N 2.89Å; N706-L708 PolarHBondContact OD1-N 3.23Å; N706-T709 WeakPolarHBondContact CB-OG1 3.24Å; N706-T709 VanDerWaalsContact CG-OG1 3.25Å; N706-T709 PolarHBondContact ND2-OG1 3.47Å; N706-T709 WeakPolarHBondContact O-CB 3.38Å; N706-T709 PolarHBondContact O-N 2.75Å; N706-T709 VanDerWaalsContact O-N 3.16Å; N706-A710 PolarHBondContact O-N 3.18Å | ||
| 707 | V | 89 | Confident | 84.6 | Confident | 23 Ų | 23 | 40 Ų | 40 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -33.6 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | Y685 L688 I689 D705 A710 V711 | Y685-V707 HydrophobicContact CD1-CB 4.22Å; Y685-V707 HydrophobicContact CD1-CG1 3.86Å; Y685-V707 HydrophobicContact CD1-CG2 3.43Å; Y685-V707 VanDerWaalsContact CD1-CG2 3.43Å; Y685-V707 HydrophobicContact CE1-CG1 4.13Å; Y685-V707 HydrophobicContact CE1-CG2 4.05Å; Y685-V707 HydrophobicContact CG-CG2 4.31Å; L688-V707 HydrophobicContact CD1-CG1 4.39Å; I689-V707 HydrophobicContact CD1-CG2 4.16Å; I689-V707 HydrophobicContact CG1-CG2 4.49Å; D705-V707 PolarHBondContact O-N 3.01Å; V707-A710 WeakPolarHBondContact O-CB 3.4Å; V707-A710 PolarHBondContact O-N 2.72Å; V707-V711 WeakPolarHBondContact O-CG2 3.33Å; V707-V711 PolarHBondContact O-N 3.09Å |
| 708 | L | 91 | Very high | 85.3 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.6 | -34.5 | 178.6 | -59.8 | -179.8 | 0 | 0 | 0 | 111.8 | V385 L389 E392 N706 S712 | V385-L708 HydrophobicContact CG1-CD1 4.31Å; V385-L708 HydrophobicContact CG1-CD2 4.23Å; L389-L708 HydrophobicContact CB-CD1 4.41Å; L389-L708 HydrophobicContact CB-CD2 4.33Å; L389-L708 HydrophobicContact CD1-CB 4.12Å; L389-L708 HydrophobicContact CD1-CD2 4.33Å; E392-L708 HydrophobicContact CG-CB 4.39Å; N706-L708 VanDerWaalsContact C-N 3.26Å; N706-L708 PolarHBondContact O-N 2.89Å; N706-L708 PolarHBondContact OD1-N 3.23Å; L708-S712 WeakPolarHBondContact O-CB 3.4Å; L708-S712 PolarHBondContact O-N 3.33Å; L708-S712 PolarHBondContact O-OG 2.69Å |
| 709 | T | 91 | Very high | 86.6 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 168.5 | -54 | 0 | 0 | 0 | 0 | 110 | E392 L701 N706 S712 I713 | E392-T709 WeakPolarHBondContact OE2-CB 3.38Å; E392-T709 PolarHBondContact OE2-OG1 3.16Å; L701-T709 HydrophobicContact CB-CG2 4.24Å; L701-T709 HydrophobicContact CD1-CG2 4.44Å; N706-T709 WeakPolarHBondContact CB-OG1 3.24Å; N706-T709 VanDerWaalsContact CG-OG1 3.25Å; N706-T709 PolarHBondContact ND2-OG1 3.47Å; N706-T709 WeakPolarHBondContact O-CB 3.38Å; N706-T709 PolarHBondContact O-N 2.75Å; N706-T709 VanDerWaalsContact O-N 3.16Å; T709-S712 WeakPolarHBondContact O-CB 3.4Å; T709-S712 PolarHBondContact O-N 3.3Å; T709-I713 HydrophobicContact CG2-CD1 3.89Å; T709-I713 HydrophobicContact CG2-CG1 4.45Å; T709-I713 WeakPolarHBondContact O-CG1 3.38Å; T709-I713 PolarHBondContact O-N 2.96Å |
| 710 | A | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I689 A692 I703 N706 V707 S712 I713 I714 | I689-A710 HydrophobicContact CG1-CB 4.27Å; A692-A710 HydrophobicContact CB-CB 3.55Å; I703-A710 HydrophobicContact CG2-CB 4.19Å; N706-A710 PolarHBondContact O-N 3.18Å; V707-A710 WeakPolarHBondContact O-CB 3.4Å; V707-A710 PolarHBondContact O-N 2.72Å; A710-S712 VanDerWaalsContact C-N 3.3Å; A710-S712 PolarHBondContact O-N 2.8Å; A710-I713 PolarHBondContact O-N 2.94Å; A710-I714 VanDerWaalsContact O-CG1 3.3Å; A710-I714 WeakPolarHBondContact O-CG1 3.32Å; A710-I714 PolarHBondContact O-N 3.34Å |
| 711 | V | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.8 | -42.8 | 175.1 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | L389 L666 L669 V707 I714 Q715 | L389-V711 HydrophobicContact CD1-CG1 4.33Å; L666-V711 HydrophobicContact CB-CG1 4.13Å; L669-V711 HydrophobicContact CB-CG2 4.15Å; L669-V711 HydrophobicContact CD1-CG1 4.25Å; V707-V711 WeakPolarHBondContact O-CG2 3.33Å; V707-V711 PolarHBondContact O-N 3.09Å; V711-I714 PolarHBondContact O-N 2.77Å; V711-Q715 WeakPolarHBondContact O-CB 3.41Å; V711-Q715 PolarHBondContact O-N 3.3Å |
| 712 | S | 93 | Very high | 90.2 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | L389 E392 R393 L708 T709 A710 Q715 D716 | L389-S712 WeakPolarHBondContact CD1-OG 3.48Å; E392-S712 WeakPolarHBondContact CB-OG 3.23Å; R393-S712 WeakPolarHBondContact CD-OG 3.2Å; R393-S712 PolarHBondContact N-OG 3.29Å; R393-S712 PolarHBondContact NH1-O 3.21Å; L708-S712 WeakPolarHBondContact O-CB 3.4Å; L708-S712 PolarHBondContact O-N 3.33Å; L708-S712 PolarHBondContact O-OG 2.69Å; T709-S712 WeakPolarHBondContact O-CB 3.4Å; T709-S712 PolarHBondContact O-N 3.3Å; A710-S712 VanDerWaalsContact C-N 3.3Å; A710-S712 PolarHBondContact O-N 2.8Å; S712-Q715 PolarHBondContact O-N 3.01Å; S712-D716 PolarHBondContact O-N 3.18Å; S712-D716 VanDerWaalsContact O-N 3.09Å |
| 713 | I | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 177.7 | -71 | 169.7 | 0 | 0 | 0 | 111.3 | A692 A696 M700 I703 T709 A710 Q715 D716 S717 | A692-I713 HydrophobicContact CB-CB 4.45Å; A692-I713 HydrophobicContact CB-CG2 4.37Å; A696-I713 HydrophobicContact CB-CG2 4.02Å; M700-I713 HydrophobicContact CE-CB 4.23Å; M700-I713 HydrophobicContact CE-CG1 3.9Å; M700-I713 HydrophobicContact CE-CG2 4.1Å; M700-I713 HydrophobicContact CG-CG1 4.45Å; M700-I713 HydrophobicContact CG-CG2 4.48Å; M700-I713 HydrophobicContact SD-CD1 4.44Å; M700-I713 HydrophobicContact SD-CG1 3.88Å; I703-I713 HydrophobicContact CD1-CD1 4.26Å; I703-I713 HydrophobicContact CG1-CD1 3.55Å; T709-I713 HydrophobicContact CG2-CD1 3.89Å; T709-I713 HydrophobicContact CG2-CG1 4.45Å; T709-I713 WeakPolarHBondContact O-CG1 3.38Å; T709-I713 PolarHBondContact O-N 2.96Å; A710-I713 PolarHBondContact O-N 2.94Å; I713-Q715 VanDerWaalsContact C-N 3.33Å; I713-Q715 PolarHBondContact O-N 3Å; I713-D716 PolarHBondContact O-N 3Å; I713-S717 VanDerWaalsContact O-CB 3.29Å; I713-S717 WeakPolarHBondContact O-CB 3.06Å; I713-S717 PolarHBondContact O-N 3.37Å; I713-S717 PolarHBondContact O-OG 3.35Å |
| 714 | I | 92.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58 | -48.4 | 177.9 | -69.7 | 166.4 | 0 | 0 | 0 | 110 | T482 V506 L688 E691 A692 A710 V711 D716 S717 F718 | T482-I714 HydrophobicContact CG2-CG2 3.62Å; V506-I714 HydrophobicContact CG2-CG2 4.21Å; L688-I714 HydrophobicContact CD2-CD1 4.1Å; E691-I714 HydrophobicContact CB-CD1 4.25Å; E691-I714 HydrophobicContact CG-CD1 4.12Å; E691-I714 HydrophobicContact CG-CG1 4.38Å; A692-I714 HydrophobicContact CB-CD1 4.12Å; A692-I714 HydrophobicContact CB-CG1 3.9Å; A710-I714 VanDerWaalsContact O-CG1 3.3Å; A710-I714 WeakPolarHBondContact O-CG1 3.32Å; A710-I714 PolarHBondContact O-N 3.34Å; V711-I714 PolarHBondContact O-N 2.77Å; I714-D716 PolarHBondContact O-N 3.41Å; I714-S717 PolarHBondContact O-N 2.87Å; I714-F718 VanDerWaalsContact O-CB 3.3Å; I714-F718 WeakPolarHBondContact O-CB 3.31Å; I714-F718 PolarHBondContact O-N 3.38Å |
| 715 | Q | 94.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 3% | 0.028 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 178.8 | 178.9 | 65.8 | 38.9 | 0 | 0 | 112.2 | V506 T510 V711 S712 I713 F718 N719 | V506-Q715 PolarHBondContact O-NE2 2.64Å; V506-Q715 PolarHBondContact O-OE1 2.79Å; T510-Q715 PolarHBondContact OG1-NE2 2.65Å; V711-Q715 WeakPolarHBondContact O-CB 3.41Å; V711-Q715 PolarHBondContact O-N 3.3Å; S712-Q715 PolarHBondContact O-N 3.01Å; I713-Q715 VanDerWaalsContact C-N 3.33Å; I713-Q715 PolarHBondContact O-N 3Å; Q715-F718 PolarHBondContact O-N 2.71Å; Q715-N719 PolarHBondContact NE2-OD1 3.36Å; Q715-N719 WeakPolarHBondContact O-CB 3.48Å; Q715-N719 PolarHBondContact O-N 2.93Å; Q715-N719 PolarHBondContact O-ND2 3Å |
| 716 | D | 94.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.016 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -74.4 | -33.1 | -177.1 | -77.7 | -13 | 0 | 0 | 0 | 113.3 | R393 S396 M397 T400 M700 S712 I713 I714 F718 Y720 | R393-D716 IonicContact CZ-OD1 3.99Å; R393-D716 VanDerWaalsContact CZ-OD1 3.23Å; R393-D716 IonicContact CZ-OD2 2.81Å; R393-D716 IonicContact NH1-OD1 2.64Å; R393-D716 PolarHBondContact NH1-OD1 2.86Å; R393-D716 IonicContact NH1-OD2 3.27Å; R393-D716 PolarHBondContact NH1-OD2 3.39Å; R393-D716 IonicContact NH2-OD1 3.97Å; R393-D716 PolarHBondContact NH2-OD1 2.98Å; R393-D716 IonicContact NH2-OD2 3.19Å; S396-D716 WeakPolarHBondContact CB-OD2 3.44Å; S396-D716 PolarHBondContact OG-OD2 3.24Å; M397-D716 PolarHBondContact N-OD2 3.47Å; M397-D716 VanDerWaalsContact N-OD2 3.12Å; T400-D716 WeakPolarHBondContact OG1-CB 3.27Å; M700-D716 HydrophobicContact CE-CB 4.35Å; S712-D716 PolarHBondContact O-N 3.18Å; S712-D716 VanDerWaalsContact O-N 3.09Å; I713-D716 PolarHBondContact O-N 3Å; I714-D716 PolarHBondContact O-N 3.41Å; D716-F718 VanDerWaalsContact C-N 3.34Å; D716-Y720 WeakPolarHBondContact O-CB 3.32Å; D716-Y720 PolarHBondContact O-N 2.74Å |
| 717 | S | 93.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 4.6 Ų | 4.6 | 3% | 0.028 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 170.7 | -80.5 | 0 | 0 | 0 | 0 | 111.6 | S695 I713 I714 R721 | S695-S717 WeakPolarHBondContact O-CB 3.48Å; S695-S717 PolarHBondContact O-OG 2.96Å; I713-S717 VanDerWaalsContact O-CB 3.29Å; I713-S717 WeakPolarHBondContact O-CB 3.06Å; I713-S717 PolarHBondContact O-N 3.37Å; I713-S717 PolarHBondContact O-OG 3.35Å; I714-S717 PolarHBondContact O-N 2.87Å; S717-R721 VanDerWaalsContact O-CB 3.31Å; S717-R721 WeakPolarHBondContact O-CB 3.48Å; S717-R721 PolarHBondContact O-N 3.31Å; S717-R721 VanDerWaalsContact O-N 3.09Å |
| 718 | F | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -64.8 | -50.6 | 174 | -168.5 | -82.4 | 0 | 0 | 0 | 111.7 | L475 M478 A479 V506 A507 T510 I714 Q715 D716 Y720 R721 H722 W780 | L475-F718 HydrophobicContact CB-CE2 4.47Å; L475-F718 HydrophobicContact CD2-CD1 4.46Å; L475-F718 HydrophobicContact CD2-CD2 4Å; L475-F718 HydrophobicContact CD2-CE1 4.27Å; L475-F718 HydrophobicContact CD2-CE2 3.78Å; L475-F718 HydrophobicContact CD2-CG 4.33Å; L475-F718 HydrophobicContact CD2-CZ 3.92Å; L475-F718 WeakPolarHBondContact O-CE2 3.46Å; M478-F718 HydrophobicContact CB-CD2 3.78Å; M478-F718 HydrophobicContact CB-CE2 4.1Å; M478-F718 HydrophobicContact CE-CB 4.06Å; M478-F718 HydrophobicContact CE-CD2 4.18Å; A479-F718 HydrophobicContact CB-CE2 3.85Å; A479-F718 HydrophobicContact CB-CZ 4.15Å; V506-F718 HydrophobicContact CG1-CB 3.6Å; V506-F718 HydrophobicContact CG1-CD1 3.96Å; V506-F718 HydrophobicContact CG1-CD2 4.06Å; V506-F718 HydrophobicContact CG1-CG 3.59Å; A507-F718 HydrophobicContact CB-CE1 4.11Å; A507-F718 HydrophobicContact CB-CZ 3.82Å; T510-F718 HydrophobicContact CG2-CD1 3.77Å; T510-F718 HydrophobicContact CG2-CE1 3.89Å; T510-F718 WeakPolarHBondContact OG1-CD1 3.49Å; I714-F718 VanDerWaalsContact O-CB 3.3Å; I714-F718 WeakPolarHBondContact O-CB 3.31Å; I714-F718 PolarHBondContact O-N 3.38Å; Q715-F718 PolarHBondContact O-N 2.71Å; D716-F718 VanDerWaalsContact C-N 3.34Å; F718-Y720 PolarHBondContact O-N 3.44Å; F718-R721 PolarHBondContact O-N 3.39Å; F718-H722 HydrophobicContact CE1-CB 4.46Å; F718-H722 VanDerWaalsContact O-CB 3.29Å; F718-H722 WeakPolarHBondContact O-CB 3.19Å; F718-H722 PolarHBondContact O-N 3.01Å; F718-W780 HydrophobicContact CE1-CZ2 4.07Å; F718-W780 AromaticContact CZ-CH2 3.73Å; F718-W780 HydrophobicContact CZ-CH2 3.73Å; F718-W780 AromaticContact CZ-CZ2 3.49Å; F718-W780 HydrophobicContact CZ-CZ2 3.49Å; F718-W780 VanDerWaalsContact CZ-CZ2 3.49Å; F718-W780 HydrophobicContact CZ-CZ3 4.41Å |
| 719 | N | 95.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 2.9 Ų | 2.9 | 6% | 0.064 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -51.9 | -53.3 | 177 | -77.4 | -16.9 | 0 | 0 | 0 | 111.5 | T510 Q715 R721 H722 H723 | T510-N719 VanDerWaalsContact CB-OD1 3.32Å; T510-N719 WeakPolarHBondContact CB-OD1 3.49Å; T510-N719 WeakPolarHBondContact CG2-OD1 3.48Å; T510-N719 PolarHBondContact OG1-OD1 3.29Å; Q715-N719 PolarHBondContact NE2-OD1 3.36Å; Q715-N719 WeakPolarHBondContact O-CB 3.48Å; Q715-N719 PolarHBondContact O-N 2.93Å; Q715-N719 PolarHBondContact O-ND2 3Å; N719-R721 PolarHBondContact O-N 3.48Å; N719-H722 WeakPolarHBondContact O-CB 3.48Å; N719-H722 PolarHBondContact O-N 3.11Å; N719-H723 VanDerWaalsContact O-CG 3.22Å; N719-H723 PolarHBondContact O-N 3.48Å; N719-H723 PolarHBondContact O-ND1 3.38Å |
| 720 | Y | 96.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 0% | 0.004 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | -178.2 | -176 | -77.4 | 0 | 0 | 0 | 111.7 | T400 R403 Y404 N407 D431 F432 L465 D716 F718 H722 H723 A724 | T400-Y720 HydrophobicContact CG2-CD2 4.44Å; R403-Y720 HydrophobicContact CB-CE2 4.42Å; R403-Y720 HydrophobicContact CG-CE2 3.75Å; Y404-Y720 AromaticContact CD1-CD2 3.82Å; Y404-Y720 HydrophobicContact CD1-CD2 3.82Å; Y404-Y720 AromaticContact CD1-CE2 3.84Å; Y404-Y720 HydrophobicContact CD1-CE2 3.84Å; Y404-Y720 AromaticContact CE1-CD2 3.23Å; Y404-Y720 HydrophobicContact CE1-CD2 3.23Å; Y404-Y720 AromaticContact CE1-CE2 3.72Å; Y404-Y720 HydrophobicContact CE1-CE2 3.72Å; Y404-Y720 HydrophobicContact CE1-CG 4.07Å; N407-Y720 PolarHBondContact ND2-OH 2.94Å; D431-Y720 HydrophobicContact CB-CE1 4.15Å; D431-Y720 WeakPolarHBondContact CB-OH 3.28Å; D431-Y720 WeakPolarHBondContact OD2-CE1 3.33Å; D431-Y720 PolarHBondContact OD2-OH 2.97Å; F432-Y720 HydrophobicContact CE2-CE1 4.47Å; F432-Y720 AromaticContact CE2-CE2 3.97Å; F432-Y720 HydrophobicContact CE2-CE2 3.97Å; F432-Y720 AromaticContact CE2-CZ 3.88Å; F432-Y720 HydrophobicContact CZ-CE2 4.36Å; L465-Y720 HydrophobicContact CD1-CE1 3.94Å; L465-Y720 HydrophobicContact CD2-CD1 3.73Å; L465-Y720 HydrophobicContact CD2-CE1 3.9Å; D716-Y720 WeakPolarHBondContact O-CB 3.32Å; D716-Y720 PolarHBondContact O-N 2.74Å; F718-Y720 PolarHBondContact O-N 3.44Å; Y720-H722 VanDerWaalsContact C-N 3.32Å; Y720-H722 PolarHBondContact O-N 2.98Å; Y720-H723 PolarHBondContact O-N 2.97Å; Y720-A724 HydrophobicContact CE1-CB 4.46Å; Y720-A724 WeakPolarHBondContact O-CB 3.37Å; Y720-A724 PolarHBondContact O-N 3.2Å |
| 721 | R | 96.7 | Very high | 96.1 | Very high | 7 Ų | 7 | 2.7 Ų | 2.7 | 3% | 0.026 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 179.6 | -175.9 | -179 | -79.2 | -99.6 | 8.5 | 110.8 | L465 H469 L475 S717 F718 N719 A724 C725 D777 | L465-R721 HydrophobicContact CB-CG 3.95Å; L465-R721 HydrophobicContact CD2-CB 3.9Å; L465-R721 HydrophobicContact CD2-CG 4.07Å; H469-R721 PolarHBondContact O-NH2 2.7Å; L475-R721 HydrophobicContact CD1-CG 4.38Å; L475-R721 HydrophobicContact CD2-CB 3.98Å; L475-R721 HydrophobicContact CD2-CG 3.83Å; L475-R721 HydrophobicContact CG-CG 3.92Å; S717-R721 VanDerWaalsContact O-CB 3.31Å; S717-R721 WeakPolarHBondContact O-CB 3.48Å; S717-R721 PolarHBondContact O-N 3.31Å; S717-R721 VanDerWaalsContact O-N 3.09Å; F718-R721 PolarHBondContact O-N 3.39Å; N719-R721 PolarHBondContact O-N 3.48Å; R721-A724 PolarHBondContact O-N 3.1Å; R721-C725 WeakPolarHBondContact O-CB 3.46Å; R721-C725 PolarHBondContact O-N 2.95Å; R721-C725 PolarHBondContact O-SG 3.29Å; R721-D777 WeakPolarHBondContact CD-OD1 3.38Å; R721-D777 IonicContact CZ-OD2 2.97Å; R721-D777 IonicContact NH1-OD1 3.84Å; R721-D777 PolarHBondContact NH1-OD1 2.82Å; R721-D777 IonicContact NH1-OD2 3.88Å; R721-D777 PolarHBondContact NH1-OD2 3.02Å |
| 722 | H | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 2.7 Ų | 2.7 | 1% | 0.014 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -57.9 | -54.2 | 174.5 | 175.8 | 69.3 | 0 | 0 | 0 | 111.4 | L475 T510 F718 N719 Y720 A724 C725 V726 W780 Y784 | L475-H722 HydrophobicContact CD2-CB 4.2Å; T510-H722 HydrophobicContact CG2-CB 3.86Å; F718-H722 HydrophobicContact CE1-CB 4.46Å; F718-H722 VanDerWaalsContact O-CB 3.29Å; F718-H722 WeakPolarHBondContact O-CB 3.19Å; F718-H722 PolarHBondContact O-N 3.01Å; N719-H722 WeakPolarHBondContact O-CB 3.48Å; N719-H722 PolarHBondContact O-N 3.11Å; Y720-H722 VanDerWaalsContact C-N 3.32Å; Y720-H722 PolarHBondContact O-N 2.98Å; H722-A724 VanDerWaalsContact C-N 3.35Å; H722-A724 PolarHBondContact O-N 3.25Å; H722-C725 PolarHBondContact O-N 3.38Å; H722-V726 WeakPolarHBondContact O-CB 3.48Å; H722-V726 VanDerWaalsContact O-CG2 3.29Å; H722-V726 WeakPolarHBondContact O-CG2 3.42Å; H722-V726 PolarHBondContact O-N 2.96Å; H722-W780 AromaticContact CE1-NE1 3.8Å; H722-W780 AromaticContact ND1-CD1 3.86Å; H722-W780 AromaticContact ND1-NE1 3.26Å; H722-W780 PolarHBondContact ND1-NE1 3.25Å; H722-Y784 AromaticContact CE1-CD1 3.86Å; H722-Y784 AromaticContact CE1-CD2 3.73Å; H722-Y784 AromaticContact CE1-CE1 3.88Å; H722-Y784 AromaticContact CE1-CE2 3.75Å; H722-Y784 AromaticContact CE1-CG 3.78Å; H722-Y784 AromaticContact CE1-CZ 3.82Å; H722-Y784 AromaticContact NE2-CE1 3.9Å; H722-Y784 AromaticContact NE2-CE2 3.94Å; H722-Y784 AromaticContact NE2-CZ 3.69Å |
| 723 | H | 97.9 | Very high | 96.7 | Very high | 9 Ų | 9 | 2.7 Ų | 2.7 | 4% | 0.042 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | -178.8 | -64.8 | 153.2 | 0 | 0 | 0 | 113.1 | Y361 L365 E369 Y404 F432 N719 Y720 C727 | Y361-H723 HydrophobicContact CE1-CB 4.42Å; L365-H723 HydrophobicContact CD2-CB 3.93Å; E369-H723 IonicContact OE1-CE1 3.48Å; E369-H723 PolarHBondContact OE1-CE1 3.23Å; Y404-H723 AromaticContact CZ-ND1 3.7Å; Y404-H723 PolarHBondContact OH-ND1 3.08Å; F432-H723 HydrophobicContact CE1-CB 3.97Å; F432-H723 HydrophobicContact CZ-CB 4.33Å; N719-H723 VanDerWaalsContact O-CG 3.22Å; N719-H723 PolarHBondContact O-N 3.48Å; N719-H723 PolarHBondContact O-ND1 3.38Å; Y720-H723 PolarHBondContact O-N 2.97Å; H723-C727 VanDerWaalsContact O-CB 3.22Å; H723-C727 WeakPolarHBondContact O-CB 3.4Å; H723-C727 PolarHBondContact O-N 3.04Å |
| 724 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -64.2 | -50 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F432 L465 Y720 R721 H722 V726 C727 Q728 | F432-A724 HydrophobicContact CE1-CB 4.37Å; F432-A724 HydrophobicContact CE2-CB 4.45Å; F432-A724 HydrophobicContact CZ-CB 4.32Å; L465-A724 HydrophobicContact CD1-CB 4.19Å; Y720-A724 HydrophobicContact CE1-CB 4.46Å; Y720-A724 WeakPolarHBondContact O-CB 3.37Å; Y720-A724 PolarHBondContact O-N 3.2Å; R721-A724 PolarHBondContact O-N 3.1Å; H722-A724 VanDerWaalsContact C-N 3.35Å; H722-A724 PolarHBondContact O-N 3.25Å; A724-V726 PolarHBondContact O-N 2.9Å; A724-C727 PolarHBondContact O-N 2.87Å; A724-Q728 VanDerWaalsContact O-CG 3.31Å; A724-Q728 WeakPolarHBondContact O-CG 3.36Å; A724-Q728 PolarHBondContact O-N 3.34Å |
| 725 | C | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -65.3 | -41.8 | -178.6 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | L475 R721 H722 Q728 L729 A781 | L475-C725 HydrophobicContact CD1-CB 4.25Å; R721-C725 WeakPolarHBondContact O-CB 3.46Å; R721-C725 PolarHBondContact O-N 2.95Å; R721-C725 PolarHBondContact O-SG 3.29Å; H722-C725 PolarHBondContact O-N 3.38Å; C725-Q728 PolarHBondContact O-N 3.47Å; C725-L729 WeakPolarHBondContact O-CB 3.28Å; C725-L729 PolarHBondContact O-N 3.29Å; C725-A781 HydrophobicContact CB-CB 4.07Å |
| 726 | V | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 1% | 0.006 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111 | H722 A724 Q728 L729 L730 Y784 | H722-V726 WeakPolarHBondContact O-CB 3.48Å; H722-V726 VanDerWaalsContact O-CG2 3.29Å; H722-V726 WeakPolarHBondContact O-CG2 3.42Å; H722-V726 PolarHBondContact O-N 2.96Å; A724-V726 PolarHBondContact O-N 2.9Å; V726-Q728 PolarHBondContact O-N 3.31Å; V726-L729 WeakPolarHBondContact O-CB 3.49Å; V726-L729 PolarHBondContact O-N 3.24Å; V726-L730 HydrophobicContact CG1-CD1 3.6Å; V726-L730 HydrophobicContact CG1-CG 4.02Å; V726-L730 WeakPolarHBondContact O-CB 3.24Å; V726-L730 WeakPolarHBondContact O-CG 3.27Å; V726-L730 PolarHBondContact O-N 3.41Å; V726-Y784 HydrophobicContact CG1-CD1 4.19Å; V726-Y784 HydrophobicContact CG1-CE1 4.14Å; V726-Y784 HydrophobicContact CG2-CD1 3.63Å; V726-Y784 HydrophobicContact CG2-CE1 4.06Å; V726-Y784 HydrophobicContact CG2-CG 4.36Å |
| 727 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | Y361 F432 H723 A724 L729 L730 T731 | Y361-C727 HydrophobicContact CD1-CB 3.81Å; Y361-C727 HydrophobicContact CE1-CB 3.86Å; Y361-C727 HydrophobicContact CG-CB 4.2Å; F432-C727 HydrophobicContact CB-CB 4.47Å; F432-C727 HydrophobicContact CD1-CB 3.72Å; F432-C727 PolarHBondContact O-SG 3.48Å; F432-C727 VanDerWaalsContact O-SG 3.4Å; H723-C727 VanDerWaalsContact O-CB 3.22Å; H723-C727 WeakPolarHBondContact O-CB 3.4Å; H723-C727 PolarHBondContact O-N 3.04Å; A724-C727 PolarHBondContact O-N 2.87Å; C727-L729 VanDerWaalsContact C-N 3.33Å; C727-L729 PolarHBondContact O-N 3.48Å; C727-L730 PolarHBondContact O-N 3.31Å; C727-T731 WeakPolarHBondContact O-CB 3.31Å; C727-T731 PolarHBondContact O-N 3.45Å; C727-T731 PolarHBondContact O-OG1 2.73Å |
| 728 | Q | 98.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 2.7 Ų | 2.7 | 2% | 0.023 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 176.6 | -66.6 | 172.9 | 26.2 | 0 | 0 | 111.7 | D431 P434 F463 S464 A724 C725 V726 S732 | D431-Q728 PolarHBondContact O-NE2 3.36Å; P434-Q728 HydrophobicContact CB-CB 4.24Å; F463-Q728 VanDerWaalsContact CA-OE1 3.28Å; F463-Q728 HydrophobicContact CB-CB 4.47Å; F463-Q728 HydrophobicContact CD1-CB 4.02Å; S464-Q728 PolarHBondContact O-NE2 2.96Å; S464-Q728 PolarHBondContact O-OE1 2.9Å; A724-Q728 VanDerWaalsContact O-CG 3.31Å; A724-Q728 WeakPolarHBondContact O-CG 3.36Å; A724-Q728 PolarHBondContact O-N 3.34Å; C725-Q728 PolarHBondContact O-N 3.47Å; V726-Q728 PolarHBondContact O-N 3.31Å; Q728-S732 PolarHBondContact O-N 2.92Å; Q728-S732 PolarHBondContact O-OG 3.01Å |
| 729 | L | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 1% | 0.005 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -60.9 | -52.9 | 175.3 | 169.3 | 69.3 | 0 | 0 | 0 | 111.7 | F463 C725 V726 C727 T731 S732 V733 F761 A781 I782 L785 | F463-L729 HydrophobicContact CD1-CB 4.34Å; F463-L729 HydrophobicContact CD2-CB 4.08Å; F463-L729 HydrophobicContact CD2-CD1 3.8Å; F463-L729 HydrophobicContact CE2-CB 4.37Å; F463-L729 HydrophobicContact CE2-CD1 3.42Å; F463-L729 VanDerWaalsContact CE2-CD1 3.42Å; F463-L729 HydrophobicContact CE2-CG 4.5Å; F463-L729 HydrophobicContact CG-CB 4.06Å; F463-L729 HydrophobicContact CZ-CD1 3.91Å; C725-L729 WeakPolarHBondContact O-CB 3.28Å; C725-L729 PolarHBondContact O-N 3.29Å; V726-L729 WeakPolarHBondContact O-CB 3.49Å; V726-L729 PolarHBondContact O-N 3.24Å; C727-L729 VanDerWaalsContact C-N 3.33Å; C727-L729 PolarHBondContact O-N 3.48Å; L729-T731 VanDerWaalsContact C-N 3.32Å; L729-T731 PolarHBondContact O-N 3.46Å; L729-S732 WeakPolarHBondContact O-CA 3.38Å; L729-S732 WeakPolarHBondContact O-CB 3.25Å; L729-S732 PolarHBondContact O-N 3.47Å; L729-V733 HydrophobicContact CD1-CG2 3.8Å; L729-V733 HydrophobicContact CG-CG2 4.29Å; L729-V733 WeakPolarHBondContact O-CG2 3.4Å; L729-V733 PolarHBondContact O-N 3.36Å; L729-F761 HydrophobicContact CD1-CD1 4.35Å; L729-F761 HydrophobicContact CD1-CE1 3.4Å; L729-F761 HydrophobicContact CD1-CZ 3.55Å; L729-A781 HydrophobicContact CB-CB 4.35Å; L729-A781 HydrophobicContact CD2-CB 3.98Å; L729-A781 WeakPolarHBondContact CD2-O 3.49Å; L729-I782 HydrophobicContact CD1-CG1 3.96Å; L729-L785 HydrophobicContact CD2-CB 4.16Å; L729-L785 HydrophobicContact CD2-CD1 4.09Å; L729-L785 HydrophobicContact CG-CD1 4.4Å |
| 730 | L | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 3.7 Ų | 3.7 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | -176.5 | -70 | 173.3 | 0 | 0 | 0 | 111.6 | F357 Y361 V726 C727 S732 V733 L734 L785 Y788 | F357-L730 HydrophobicContact CE1-CB 3.63Å; F357-L730 HydrophobicContact CE1-CD1 4.35Å; F357-L730 HydrophobicContact CZ-CB 3.78Å; F357-L730 HydrophobicContact CZ-CD1 4.15Å; Y361-L730 HydrophobicContact CD2-CD1 4.46Å; Y361-L730 HydrophobicContact CE2-CD1 4.1Å; V726-L730 HydrophobicContact CG1-CD1 3.6Å; V726-L730 HydrophobicContact CG1-CG 4.02Å; V726-L730 WeakPolarHBondContact O-CB 3.24Å; V726-L730 WeakPolarHBondContact O-CG 3.27Å; V726-L730 PolarHBondContact O-N 3.41Å; C727-L730 PolarHBondContact O-N 3.31Å; L730-S732 PolarHBondContact O-N 2.76Å; L730-V733 PolarHBondContact O-N 2.95Å; L730-L734 VanDerWaalsContact O-CB 3.28Å; L730-L734 WeakPolarHBondContact O-CB 3.37Å; L730-L734 WeakPolarHBondContact O-CG 3.44Å; L730-L734 PolarHBondContact O-N 3.18Å; L730-L785 HydrophobicContact CD2-CD1 3.71Å; L730-Y788 HydrophobicContact CD1-CD2 3.89Å; L730-Y788 HydrophobicContact CD1-CE1 4.47Å; L730-Y788 HydrophobicContact CD1-CE2 3.27Å; L730-Y788 HydrophobicContact CD2-CD1 3.65Å; L730-Y788 HydrophobicContact CD2-CD2 3.59Å; L730-Y788 HydrophobicContact CD2-CE1 3.7Å; L730-Y788 HydrophobicContact CD2-CE2 3.63Å; L730-Y788 HydrophobicContact CD2-CG 3.6Å; L730-Y788 HydrophobicContact CG-CD2 4.37Å; L730-Y788 HydrophobicContact CG-CE2 4.09Å |
| 731 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -55.1 | -43.2 | 174 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | L353 F357 P434 L437 C727 L729 T735 | L353-T731 HydrophobicContact CB-CG2 4.25Å; L353-T731 WeakPolarHBondContact O-CG2 3.45Å; F357-T731 HydrophobicContact CB-CG2 4.42Å; F357-T731 VanDerWaalsContact CD1-OG1 3.25Å; F357-T731 WeakPolarHBondContact CD1-OG1 3.46Å; P434-T731 HydrophobicContact CG-CG2 3.86Å; L437-T731 HydrophobicContact CD2-CG2 3.79Å; C727-T731 WeakPolarHBondContact O-CB 3.31Å; C727-T731 PolarHBondContact O-N 3.45Å; C727-T731 PolarHBondContact O-OG1 2.73Å; L729-T731 VanDerWaalsContact C-N 3.32Å; L729-T731 PolarHBondContact O-N 3.46Å; T731-T735 WeakPolarHBondContact O-CB 3.3Å; T731-T735 PolarHBondContact O-N 2.77Å; T731-T735 PolarHBondContact O-OG1 3.32Å |
| 732 | S | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -71.9 | -42.7 | -178.3 | -52.3 | 0 | 0 | 0 | 0 | 112.3 | F463 Q728 L729 L730 T735 A736 | F463-S732 WeakPolarHBondContact CE1-OG 3.44Å; Q728-S732 PolarHBondContact O-N 2.92Å; Q728-S732 PolarHBondContact O-OG 3.01Å; L729-S732 WeakPolarHBondContact O-CA 3.38Å; L729-S732 WeakPolarHBondContact O-CB 3.25Å; L729-S732 PolarHBondContact O-N 3.47Å; L730-S732 PolarHBondContact O-N 2.76Å; S732-T735 WeakPolarHBondContact O-CB 3.25Å; S732-T735 PolarHBondContact O-N 2.98Å; S732-A736 PolarHBondContact O-N 2.8Å |
| 733 | V | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.006 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -70.8 | -38.8 | 179 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | L729 L730 T735 A736 L737 F761 L785 L866 L961 | L729-V733 HydrophobicContact CD1-CG2 3.8Å; L729-V733 HydrophobicContact CG-CG2 4.29Å; L729-V733 WeakPolarHBondContact O-CG2 3.4Å; L729-V733 PolarHBondContact O-N 3.36Å; L730-V733 PolarHBondContact O-N 2.95Å; V733-T735 VanDerWaalsContact C-N 3.3Å; V733-T735 PolarHBondContact O-N 3.06Å; V733-A736 WeakPolarHBondContact O-CB 3.5Å; V733-A736 PolarHBondContact O-N 3.05Å; V733-L737 HydrophobicContact CG1-CD1 4.24Å; V733-L737 HydrophobicContact CG1-CG 4.41Å; V733-L737 WeakPolarHBondContact O-CB 3.07Å; V733-L737 WeakPolarHBondContact O-CG 3.44Å; V733-L737 PolarHBondContact O-N 3.1Å; V733-F761 HydrophobicContact CG2-CE1 3.88Å; V733-F761 HydrophobicContact CG2-CZ 3.52Å; V733-L785 HydrophobicContact CG1-CD2 4.43Å; V733-L785 HydrophobicContact CG2-CD2 3.96Å; V733-L866 HydrophobicContact CG1-CD1 3.63Å; V733-L866 HydrophobicContact CG1-CD2 3.78Å; V733-L866 HydrophobicContact CG1-CG 4.34Å; V733-L961 HydrophobicContact CG1-CD1 4.18Å |
| 734 | L | 97.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.01 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -67.1 | -34.7 | 175 | -68.2 | 172.1 | 0 | 0 | 0 | 111.4 | L353 F357 L730 L737 S738 V790 L842 | L353-L734 HydrophobicContact CD1-CB 3.81Å; F357-L734 HydrophobicContact CD2-CD1 3.49Å; F357-L734 VanDerWaalsContact CD2-CD1 3.49Å; F357-L734 HydrophobicContact CE1-CD1 4.49Å; F357-L734 HydrophobicContact CE2-CD1 3.17Å; F357-L734 HydrophobicContact CG-CD1 4.28Å; F357-L734 HydrophobicContact CZ-CD1 3.73Å; L730-L734 VanDerWaalsContact O-CB 3.28Å; L730-L734 WeakPolarHBondContact O-CB 3.37Å; L730-L734 WeakPolarHBondContact O-CG 3.44Å; L730-L734 PolarHBondContact O-N 3.18Å; L734-L737 HydrophobicContact CD2-CD1 4.14Å; L734-S738 VanDerWaalsContact O-CB 3.31Å; L734-S738 WeakPolarHBondContact O-CB 3.05Å; L734-S738 PolarHBondContact O-N 2.86Å; L734-S738 PolarHBondContact O-OG 3.39Å; L734-V790 HydrophobicContact CD2-CG1 4.28Å; L734-V790 HydrophobicContact CD2-CG2 4.19Å; L734-L842 HydrophobicContact CD2-CD2 4.42Å |
| 735 | T | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60 | -49.7 | 169.4 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | V323 S351 V439 I458 T731 S732 V733 L737 S738 V739 | V323-T735 HydrophobicContact CG1-CG2 4.17Å; S351-T735 WeakPolarHBondContact OG-CG2 3.42Å; S351-T735 PolarHBondContact OG-OG1 3.17Å; V439-T735 HydrophobicContact CG2-CG2 3.6Å; I458-T735 HydrophobicContact CD1-CG2 4.26Å; T731-T735 WeakPolarHBondContact O-CB 3.3Å; T731-T735 PolarHBondContact O-N 2.77Å; T731-T735 PolarHBondContact O-OG1 3.32Å; S732-T735 WeakPolarHBondContact O-CB 3.25Å; S732-T735 PolarHBondContact O-N 2.98Å; V733-T735 VanDerWaalsContact C-N 3.3Å; V733-T735 PolarHBondContact O-N 3.06Å; T735-L737 PolarHBondContact O-N 3.24Å; T735-S738 PolarHBondContact O-N 2.89Å; T735-V739 WeakPolarHBondContact O-CG2 3.08Å; T735-V739 PolarHBondContact O-N 3.34Å |
| 736 | A | 96.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 5% | 0.05 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I458 S732 V733 S738 V739 Q740 L961 I963 | I458-A736 HydrophobicContact CD1-CB 4.45Å; I458-A736 HydrophobicContact CG1-CB 3.61Å; S732-A736 PolarHBondContact O-N 2.8Å; V733-A736 WeakPolarHBondContact O-CB 3.5Å; V733-A736 PolarHBondContact O-N 3.05Å; A736-S738 PolarHBondContact O-N 3.47Å; A736-V739 PolarHBondContact O-N 2.89Å; A736-Q740 WeakPolarHBondContact O-CB 3.4Å; A736-Q740 PolarHBondContact O-N 3.29Å; A736-L961 HydrophobicContact CB-CB 4.12Å; A736-L961 HydrophobicContact CB-CD1 4.06Å; A736-L961 HydrophobicContact CB-CD2 4.24Å; A736-L961 HydrophobicContact CB-CG 4.36Å; A736-I963 HydrophobicContact CB-CD1 4.45Å; A736-I963 HydrophobicContact CB-CG1 4.47Å |
| 737 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 177 | -82 | 171.9 | 0 | 0 | 0 | 111.6 | V733 L734 T735 V739 Q740 I741 V757 V790 L842 I864 L866 L961 | V733-L737 HydrophobicContact CG1-CD1 4.24Å; V733-L737 HydrophobicContact CG1-CG 4.41Å; V733-L737 WeakPolarHBondContact O-CB 3.07Å; V733-L737 WeakPolarHBondContact O-CG 3.44Å; V733-L737 PolarHBondContact O-N 3.1Å; L734-L737 HydrophobicContact CD2-CD1 4.14Å; T735-L737 PolarHBondContact O-N 3.24Å; L737-V739 PolarHBondContact O-N 3.22Å; L737-Q740 PolarHBondContact O-N 2.92Å; L737-Q740 VanDerWaalsContact O-N 3.11Å; L737-I741 HydrophobicContact CB-CD1 4.11Å; L737-I741 HydrophobicContact CD2-CD1 4.42Å; L737-I741 WeakPolarHBondContact O-CB 3.49Å; L737-I741 WeakPolarHBondContact O-CD1 3.33Å; L737-I741 WeakPolarHBondContact O-CG1 3.41Å; L737-I741 PolarHBondContact O-N 2.87Å; L737-V757 HydrophobicContact CD2-CB 4.42Å; L737-V757 HydrophobicContact CD2-CG1 4.09Å; L737-V757 HydrophobicContact CD2-CG2 4.22Å; L737-V790 HydrophobicContact CD1-CG1 4.47Å; L737-V790 HydrophobicContact CD1-CG2 4.21Å; L737-L842 HydrophobicContact CB-CD2 4.3Å; L737-I864 HydrophobicContact CD2-CD1 4.22Å; L737-L866 HydrophobicContact CD1-CD2 3.96Å; L737-L866 HydrophobicContact CD2-CD2 4.28Å; L737-L866 HydrophobicContact CG-CD2 4.32Å; L737-L961 HydrophobicContact CD2-CD1 3.81Å; L737-L961 HydrophobicContact CD2-CD2 4.44Å; L737-L961 HydrophobicContact CG-CD1 3.77Å |
| 738 | S | 93.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.4 | -28.9 | -176.9 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | S319 L734 T735 A736 P742 | S319-S738 PolarHBondContact OG-O 2.93Å; L734-S738 VanDerWaalsContact O-CB 3.31Å; L734-S738 WeakPolarHBondContact O-CB 3.05Å; L734-S738 PolarHBondContact O-N 2.86Å; L734-S738 PolarHBondContact O-OG 3.39Å; T735-S738 PolarHBondContact O-N 2.89Å; A736-S738 PolarHBondContact O-N 3.47Å; S738-P742 WeakPolarHBondContact O-CD 3.32Å; S738-P742 WeakPolarHBondContact O-CG 3.41Å |
| 739 | V | 92 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -78.8 | -34 | 173.9 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | S319 L320 V323 V439 N456 T735 A736 L737 | S319-V739 PolarHBondContact OG-O 2.99Å; L320-V739 HydrophobicContact CD2-CG1 3.8Å; L320-V739 HydrophobicContact CD2-CG2 4.12Å; V323-V739 HydrophobicContact CB-CG2 4.12Å; V323-V739 HydrophobicContact CG1-CG2 3.88Å; V323-V739 HydrophobicContact CG2-CG2 4.25Å; V439-V739 HydrophobicContact CG1-CG1 4.26Å; V439-V739 HydrophobicContact CG1-CG2 3.98Å; V439-V739 HydrophobicContact CG2-CG2 3.92Å; N456-V739 HydrophobicContact CB-CG1 4.24Å; N456-V739 VanDerWaalsContact ND2-CG1 3.29Å; N456-V739 WeakPolarHBondContact ND2-CG1 3.45Å; T735-V739 WeakPolarHBondContact O-CG2 3.08Å; T735-V739 PolarHBondContact O-N 3.34Å; A736-V739 PolarHBondContact O-N 2.89Å; L737-V739 PolarHBondContact O-N 3.22Å |
| 740 | Q | 91.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 26.2 Ų | 26.2 | 15% | 0.15 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -86.1 | -42.6 | -174 | -169.8 | 69.2 | -6.2 | 0 | 0 | 113.6 | A736 L737 P742 R743 H959 L961 | A736-Q740 WeakPolarHBondContact O-CB 3.4Å; A736-Q740 PolarHBondContact O-N 3.29Å; L737-Q740 PolarHBondContact O-N 2.92Å; L737-Q740 VanDerWaalsContact O-N 3.11Å; Q740-P742 VanDerWaalsContact C-CD 3.43Å; Q740-P742 VanDerWaalsContact C-N 3.27Å; Q740-R743 WeakPolarHBondContact O-CB 3.4Å; Q740-R743 PolarHBondContact O-N 2.48Å; Q740-H959 PolarHBondContact NE2-O 3.12Å; Q740-H959 VanDerWaalsContact NE2-O 3.12Å; Q740-L961 HydrophobicContact CB-CD2 3.61Å; Q740-L961 HydrophobicContact CG-CD2 3.85Å |
| 741 | I | 91.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -52.8 | -39.5 | -176 | -69.6 | 161.8 | 0 | 0 | 0 | 112.5 | L737 R743 W744 W749 L792 L842 V844 | L737-I741 HydrophobicContact CB-CD1 4.11Å; L737-I741 HydrophobicContact CD2-CD1 4.42Å; L737-I741 WeakPolarHBondContact O-CB 3.49Å; L737-I741 WeakPolarHBondContact O-CD1 3.33Å; L737-I741 WeakPolarHBondContact O-CG1 3.41Å; L737-I741 PolarHBondContact O-N 2.87Å; I741-R743 PolarHBondContact O-N 2.95Å; I741-W744 HydrophobicContact CB-CD2 4.45Å; I741-W744 HydrophobicContact CB-CE3 4.46Å; I741-W744 HydrophobicContact CG1-CD2 4.25Å; I741-W744 HydrophobicContact CG1-CE3 4.12Å; I741-W744 HydrophobicContact CG1-CH2 3.85Å; I741-W744 HydrophobicContact CG1-CZ2 3.99Å; I741-W744 HydrophobicContact CG1-CZ3 3.93Å; I741-W744 HydrophobicContact CG2-CE3 4.24Å; I741-W744 WeakPolarHBondContact O-CB 3.42Å; I741-W744 PolarHBondContact O-N 2.77Å; I741-W749 HydrophobicContact CG2-CH2 4.12Å; I741-W749 HydrophobicContact CG2-CZ2 4.03Å; I741-L792 HydrophobicContact CD1-CD1 3.95Å; I741-L792 HydrophobicContact CD1-CD2 3.68Å; I741-L792 HydrophobicContact CD1-CG 4.49Å; I741-L792 HydrophobicContact CG1-CD1 4.47Å; I741-L842 HydrophobicContact CD1-CD2 3.98Å; I741-V844 HydrophobicContact CG2-CB 4.36Å; I741-V844 HydrophobicContact CG2-CG1 3.55Å; I741-V844 HydrophobicContact CG2-CG2 3.91Å |
| 742 | P | 87 | Confident | 93.4 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 5% | 0.045 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -60.9 | -20.7 | -178.1 | -31.2 | 41.9 | 0 | 0 | 0 | 114.8 | A315 S319 S738 Q740 P845 S848 | A315-P742 WeakPolarHBondContact CB-O 3.48Å; S319-P742 WeakPolarHBondContact OG-CG 3Å; S738-P742 WeakPolarHBondContact O-CD 3.32Å; S738-P742 WeakPolarHBondContact O-CG 3.41Å; Q740-P742 VanDerWaalsContact C-CD 3.43Å; Q740-P742 VanDerWaalsContact C-N 3.27Å; P742-P845 HydrophobicContact CG-CG 4.07Å; P742-S848 WeakPolarHBondContact CA-OG 3.23Å; P742-S848 PolarHBondContact O-OG 3.33Å; P742-S848 VanDerWaalsContact O-OG 3.07Å |
| 743 | R | 84.7 | Confident | 93.2 | Very high | 44 Ų | 44 | 29.6 Ų | 29.6 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -91.6 | -6.5 | -179 | -50 | -177.7 | 173.5 | -154 | -18.8 | 113.8 | N316 S454 N456 Q740 I741 D745 | N316-R743 PolarHBondContact O-NH2 2.8Å; N316-R743 VanDerWaalsContact OD1-CD 3.24Å; N316-R743 WeakPolarHBondContact OD1-CD 3.42Å; N316-R743 VanDerWaalsContact OD1-CG 3.3Å; N316-R743 WeakPolarHBondContact OD1-CG 3.49Å; N316-R743 VanDerWaalsContact OD1-CZ 3.32Å; N316-R743 PolarHBondContact OD1-NE 2.81Å; N316-R743 VanDerWaalsContact OD1-NE 3.08Å; S454-R743 PolarHBondContact O-NH1 2.86Å; S454-R743 PolarHBondContact OG-NH1 3.39Å; S454-R743 PolarHBondContact OG-NH2 2.88Å; N456-R743 PolarHBondContact ND2-NE 3.1Å; N456-R743 PolarHBondContact ND2-NH1 2.88Å; Q740-R743 WeakPolarHBondContact O-CB 3.4Å; Q740-R743 PolarHBondContact O-N 2.48Å; I741-R743 PolarHBondContact O-N 2.95Å; R743-D745 PolarHBondContact O-N 3.48Å |
| 744 | W | 90.3 | Very high | 93 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 3% | 0.034 | 16% | 0.162 | C | C | . | . | trans | -67.7 | 124.1 | -175.4 | -75.7 | -3.6 | 0 | 0 | 0 | 111.5 | I741 D748 W749 A752 V757 L792 I864 | I741-W744 HydrophobicContact CB-CD2 4.45Å; I741-W744 HydrophobicContact CB-CE3 4.46Å; I741-W744 HydrophobicContact CG1-CD2 4.25Å; I741-W744 HydrophobicContact CG1-CE3 4.12Å; I741-W744 HydrophobicContact CG1-CH2 3.85Å; I741-W744 HydrophobicContact CG1-CZ2 3.99Å; I741-W744 HydrophobicContact CG1-CZ3 3.93Å; I741-W744 HydrophobicContact CG2-CE3 4.24Å; I741-W744 WeakPolarHBondContact O-CB 3.42Å; I741-W744 PolarHBondContact O-N 2.77Å; W744-D748 WeakPolarHBondContact CA-OD2 3.01Å; W744-D748 HydrophobicContact CB-CB 3.66Å; W744-D748 HydrophobicContact CD2-CB 4.28Å; W744-D748 HydrophobicContact CG-CB 3.63Å; W744-W749 AromaticContact CE3-CD2 3.77Å; W744-W749 HydrophobicContact CE3-CD2 3.77Å; W744-W749 AromaticContact CE3-CE2 3.91Å; W744-W749 AromaticContact CE3-CE3 3.86Å; W744-W749 HydrophobicContact CE3-CE3 3.86Å; W744-W749 HydrophobicContact CE3-CG 4.33Å; W744-W749 HydrophobicContact CE3-CH2 4.22Å; W744-W749 HydrophobicContact CE3-CZ2 4.14Å; W744-W749 HydrophobicContact CE3-CZ3 4.08Å; W744-W749 HydrophobicContact CZ3-CD2 4.39Å; W744-W749 HydrophobicContact CZ3-CE3 4Å; W744-W749 HydrophobicContact CZ3-CH2 4.42Å; W744-W749 HydrophobicContact CZ3-CZ3 4.02Å; W744-A752 HydrophobicContact CE3-CB 4.48Å; W744-A752 HydrophobicContact CH2-CB 3.6Å; W744-A752 HydrophobicContact CZ2-CB 4.21Å; W744-A752 HydrophobicContact CZ3-CB 3.75Å; W744-V757 HydrophobicContact CH2-CG2 3.53Å; W744-V757 HydrophobicContact CZ2-CG1 4.31Å; W744-V757 HydrophobicContact CZ2-CG2 3.65Å; W744-L792 HydrophobicContact CH2-CD1 4.46Å; W744-L792 HydrophobicContact CZ3-CD1 3.93Å; W744-I864 HydrophobicContact CH2-CD1 4.17Å | ||
| 745 | D | 89.9 | Confident | 92.9 | Very high | 72 Ų | 72 | 32.8 Ų | 32.8 | 39% | 0.385 | 16% | 0.162 | S | C | . | . | trans | -82.5 | -179 | 165.1 | 78.5 | 13.5 | 0 | 0 | 0 | 110.9 | R743 K747 D748 W749 | R743-D745 PolarHBondContact O-N 3.48Å; D745-K747 VanDerWaalsContact C-N 3.28Å; D745-K747 PolarHBondContact O-N 3.37Å; D745-K747 WeakPolarHBondContact OD1-CA 3.49Å; D745-K747 VanDerWaalsContact OD1-CB 3.31Å; D745-K747 WeakPolarHBondContact OD1-CB 3.4Å; D745-K747 PolarHBondContact OD1-N 3.48Å; D745-D748 PolarHBondContact N-OD2 3.04Å; D745-D748 WeakPolarHBondContact O-CB 3.09Å; D745-D748 PolarHBondContact O-N 2.9Å; D745-D748 PolarHBondContact OD1-N 3.29Å; D745-W749 PolarHBondContact O-N 2.66Å; D745-W749 VanDerWaalsContact O-N 3.09Å | ||
| 746 | R | 92.6 | Very high | 92.9 | Very high | 139 Ų | 139 | 33 Ų | 33 | 53% | 0.525 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.4 | -38.4 | 179.4 | -178.3 | 173.9 | 175.9 | 158.6 | 5.4 | 113.1 | W749 E750 H851 | R746-W749 PolarHBondContact O-N 3.24Å; R746-E750 WeakPolarHBondContact CG-OE1 3.47Å; R746-E750 IonicContact CZ-OE1 2.72Å; R746-E750 IonicContact NE-OE1 3.23Å; R746-E750 PolarHBondContact NE-OE1 3.18Å; R746-E750 IonicContact NH2-OE1 3.93Å; R746-E750 WeakPolarHBondContact O-CG 3.38Å; R746-E750 PolarHBondContact O-N 2.97Å; R746-H851 WeakPolarHBondContact CA-O 3.47Å |
| 747 | K | 91.6 | Very high | 92.9 | Very high | 151 Ų | 151 | 33 Ų | 33 | 66% | 0.657 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -69 | -38.9 | 179.4 | -67.6 | -177.3 | 177.1 | 178.9 | 0 | 110.8 | D745 W749 E750 Q751 | D745-K747 VanDerWaalsContact C-N 3.28Å; D745-K747 PolarHBondContact O-N 3.37Å; D745-K747 WeakPolarHBondContact OD1-CA 3.49Å; D745-K747 VanDerWaalsContact OD1-CB 3.31Å; D745-K747 WeakPolarHBondContact OD1-CB 3.4Å; D745-K747 PolarHBondContact OD1-N 3.48Å; K747-W749 VanDerWaalsContact C-N 3.33Å; K747-W749 PolarHBondContact O-N 3.08Å; K747-E750 PolarHBondContact O-N 3.26Å; K747-Q751 VanDerWaalsContact O-CB 3.29Å; K747-Q751 WeakPolarHBondContact O-CB 3.5Å; K747-Q751 PolarHBondContact O-N 3.37Å |
| 748 | D | 93.6 | Very high | 93 | Very high | 14 Ų | 14 | 33 Ų | 33 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.8 | -63 | -46.3 | 0 | 0 | 0 | 111.3 | W744 D745 Q751 A752 H959 | W744-D748 WeakPolarHBondContact CA-OD2 3.01Å; W744-D748 HydrophobicContact CB-CB 3.66Å; W744-D748 HydrophobicContact CD2-CB 4.28Å; W744-D748 HydrophobicContact CG-CB 3.63Å; D745-D748 PolarHBondContact N-OD2 3.04Å; D745-D748 WeakPolarHBondContact O-CB 3.09Å; D745-D748 PolarHBondContact O-N 2.9Å; D745-D748 PolarHBondContact OD1-N 3.29Å; D748-Q751 PolarHBondContact O-N 3.28Å; D748-A752 VanDerWaalsContact O-CB 3.29Å; D748-A752 WeakPolarHBondContact O-CB 3.17Å; D748-A752 PolarHBondContact O-N 3.07Å; D748-H959 IonicContact OD1-CE1 2.8Å; D748-H959 IonicContact OD1-CG 2.73Å; D748-H959 IonicContact OD1-ND1 3.34Å; D748-H959 PolarHBondContact OD1-ND1 2.84Å; D748-H959 IonicContact OD2-ND1 2.65Å |
| 749 | W | 95.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 174.6 | -79.8 | 107.4 | 0 | 0 | 0 | 112.6 | I741 W744 D745 R746 K747 A752 A753 L792 V844 S848 W849 A852 V862 | I741-W749 HydrophobicContact CG2-CH2 4.12Å; I741-W749 HydrophobicContact CG2-CZ2 4.03Å; W744-W749 AromaticContact CE3-CD2 3.77Å; W744-W749 HydrophobicContact CE3-CD2 3.77Å; W744-W749 AromaticContact CE3-CE2 3.91Å; W744-W749 AromaticContact CE3-CE3 3.86Å; W744-W749 HydrophobicContact CE3-CE3 3.86Å; W744-W749 HydrophobicContact CE3-CG 4.33Å; W744-W749 HydrophobicContact CE3-CH2 4.22Å; W744-W749 HydrophobicContact CE3-CZ2 4.14Å; W744-W749 HydrophobicContact CE3-CZ3 4.08Å; W744-W749 HydrophobicContact CZ3-CD2 4.39Å; W744-W749 HydrophobicContact CZ3-CE3 4Å; W744-W749 HydrophobicContact CZ3-CH2 4.42Å; W744-W749 HydrophobicContact CZ3-CZ3 4.02Å; D745-W749 PolarHBondContact O-N 2.66Å; D745-W749 VanDerWaalsContact O-N 3.09Å; R746-W749 PolarHBondContact O-N 3.24Å; K747-W749 VanDerWaalsContact C-N 3.33Å; K747-W749 PolarHBondContact O-N 3.08Å; W749-A752 PolarHBondContact O-N 3.41Å; W749-A753 WeakPolarHBondContact O-CB 3.41Å; W749-A753 PolarHBondContact O-N 3.06Å; W749-L792 HydrophobicContact CH2-CD1 3.92Å; W749-L792 HydrophobicContact CZ3-CD1 3.65Å; W749-V844 HydrophobicContact CH2-CG1 4.17Å; W749-V844 HydrophobicContact CH2-CG2 4.43Å; W749-V844 HydrophobicContact CZ2-CG1 4.14Å; W749-S848 PolarHBondContact NE1-O 3.07Å; W749-W849 HydrophobicContact CH2-CE3 4.02Å; W749-W849 HydrophobicContact CH2-CZ3 4.12Å; W749-W849 HydrophobicContact CZ3-CZ3 4.41Å; W749-A852 HydrophobicContact CB-CB 4.49Å; W749-A852 HydrophobicContact CD2-CB 3.71Å; W749-A852 HydrophobicContact CE3-CB 4.09Å; W749-A852 HydrophobicContact CG-CB 3.9Å; W749-A852 HydrophobicContact CZ2-CB 4.48Å; W749-V862 HydrophobicContact CE3-CG1 4.37Å; W749-V862 HydrophobicContact CZ3-CG1 3.77Å |
| 750 | E | 94.6 | Very high | 93.6 | Very high | 60 Ų | 60 | 32.7 Ų | 32.7 | 28% | 0.28 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.5 | -71.5 | 171.5 | -173 | 0 | 0 | 111 | R746 K747 A753 V754 P853 F913 | R746-E750 WeakPolarHBondContact CG-OE1 3.47Å; R746-E750 IonicContact CZ-OE1 2.72Å; R746-E750 IonicContact NE-OE1 3.23Å; R746-E750 PolarHBondContact NE-OE1 3.18Å; R746-E750 IonicContact NH2-OE1 3.93Å; R746-E750 WeakPolarHBondContact O-CG 3.38Å; R746-E750 PolarHBondContact O-N 2.97Å; K747-E750 PolarHBondContact O-N 3.26Å; E750-A753 PolarHBondContact O-N 3.18Å; E750-V754 WeakPolarHBondContact O-CB 3.36Å; E750-V754 WeakPolarHBondContact O-CG2 3.25Å; E750-V754 PolarHBondContact O-N 2.97Å; E750-P853 HydrophobicContact CG-CG 3.51Å; E750-F913 HydrophobicContact CB-CE1 4.27Å; E750-F913 HydrophobicContact CB-CZ 4.29Å |
| 751 | Q | 95 | Very high | 93.9 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 9% | 0.093 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.2 | 175.1 | -177 | -43.7 | 0 | 0 | 111.2 | K747 D748 A753 V754 C755 G756 Y905 Y909 F913 F958 | K747-Q751 VanDerWaalsContact O-CB 3.29Å; K747-Q751 WeakPolarHBondContact O-CB 3.5Å; K747-Q751 PolarHBondContact O-N 3.37Å; D748-Q751 PolarHBondContact O-N 3.28Å; Q751-A753 VanDerWaalsContact C-N 3.28Å; Q751-A753 PolarHBondContact O-N 2.96Å; Q751-V754 PolarHBondContact O-N 3.1Å; Q751-C755 HydrophobicContact CG-CB 4.39Å; Q751-C755 WeakPolarHBondContact O-CA 3.48Å; Q751-C755 WeakPolarHBondContact O-CB 3.18Å; Q751-C755 PolarHBondContact O-N 3.41Å; Q751-G756 PolarHBondContact O-N 2.65Å; Q751-Y905 PolarHBondContact NE2-OH 2.76Å; Q751-Y909 HydrophobicContact CG-CD2 4.2Å; Q751-Y909 HydrophobicContact CG-CE2 4.15Å; Q751-Y909 VanDerWaalsContact OE1-CE2 3.29Å; Q751-F913 HydrophobicContact CB-CE2 4.35Å; Q751-F913 HydrophobicContact CB-CZ 4.31Å; Q751-F958 PolarHBondContact NE2-O 3.17Å |
| 752 | A | 95.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -36.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W744 D748 W749 G756 V757 I864 | W744-A752 HydrophobicContact CE3-CB 4.48Å; W744-A752 HydrophobicContact CH2-CB 3.6Å; W744-A752 HydrophobicContact CZ2-CB 4.21Å; W744-A752 HydrophobicContact CZ3-CB 3.75Å; D748-A752 VanDerWaalsContact O-CB 3.29Å; D748-A752 WeakPolarHBondContact O-CB 3.17Å; D748-A752 PolarHBondContact O-N 3.07Å; W749-A752 PolarHBondContact O-N 3.41Å; A752-G756 VanDerWaalsContact O-CA 3.25Å; A752-G756 WeakPolarHBondContact O-CA 3.38Å; A752-G756 PolarHBondContact O-N 2.73Å; A752-V757 HydrophobicContact CB-CG2 3.81Å; A752-I864 HydrophobicContact CB-CG2 4.41Å |
| 753 | A | 93.9 | Very high | 94.8 | Very high | 50 Ų | 50 | 30.9 Ų | 30.9 | 41% | 0.413 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.6 | -39 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W749 E750 Q751 I856 | W749-A753 WeakPolarHBondContact O-CB 3.41Å; W749-A753 PolarHBondContact O-N 3.06Å; E750-A753 PolarHBondContact O-N 3.18Å; Q751-A753 VanDerWaalsContact C-N 3.28Å; Q751-A753 PolarHBondContact O-N 2.96Å; A753-I856 HydrophobicContact CB-CD1 4.22Å |
| 754 | V | 94.1 | Very high | 95.4 | Very high | 68 Ų | 68 | 28.8 Ų | 28.8 | 41% | 0.412 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -89.1 | -50.4 | -175.1 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | E750 Q751 H912 F913 | E750-V754 WeakPolarHBondContact O-CB 3.36Å; E750-V754 WeakPolarHBondContact O-CG2 3.25Å; E750-V754 PolarHBondContact O-N 2.97Å; Q751-V754 PolarHBondContact O-N 3.1Å; V754-H912 HydrophobicContact CG1-CB 4Å; V754-F913 HydrophobicContact CB-CE2 4.2Å; V754-F913 HydrophobicContact CB-CZ 4.31Å; V754-F913 HydrophobicContact CG1-CE2 4.28Å; V754-F913 HydrophobicContact CG2-CZ 4.46Å |
| 755 | C | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -25.7 | -174 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | Q751 Y905 R908 | Q751-C755 HydrophobicContact CG-CB 4.39Å; Q751-C755 WeakPolarHBondContact O-CA 3.48Å; Q751-C755 WeakPolarHBondContact O-CB 3.18Å; Q751-C755 PolarHBondContact O-N 3.41Å; C755-Y905 HydrophobicContact CB-CE2 3.88Å; C755-R908 PolarHBondContact O-NH1 2.91Å |
| 756 | G | 96.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | trans | 86.5 | 171.1 | -160.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q751 A752 R865 Y905 | Q751-G756 PolarHBondContact O-N 2.65Å; A752-G756 VanDerWaalsContact O-CA 3.25Å; A752-G756 WeakPolarHBondContact O-CA 3.38Å; A752-G756 PolarHBondContact O-N 2.73Å; G756-R865 CarbonylContact C-O 3.53Å; G756-R865 WeakPolarHBondContact CA-O 3.35Å; G756-Y905 PolarHBondContact O-OH 2.8Å | ||
| 757 | V | 97.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.5 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 109 | L737 W744 A752 A759 I864 R865 L866 H867 L961 | L737-V757 HydrophobicContact CD2-CB 4.42Å; L737-V757 HydrophobicContact CD2-CG1 4.09Å; L737-V757 HydrophobicContact CD2-CG2 4.22Å; W744-V757 HydrophobicContact CH2-CG2 3.53Å; W744-V757 HydrophobicContact CZ2-CG1 4.31Å; W744-V757 HydrophobicContact CZ2-CG2 3.65Å; A752-V757 HydrophobicContact CB-CG2 3.81Å; V757-A759 PolarHBondContact O-N 2.78Å; V757-I864 HydrophobicContact CG2-CD1 3.92Å; V757-R865 PolarHBondContact N-O 2.78Å; V757-L866 HydrophobicContact CB-CD2 4.23Å; V757-H867 PolarHBondContact O-N 2.99Å; V757-L961 HydrophobicContact CG1-CD1 3.94Å; V757-L961 HydrophobicContact CG1-CD2 4.23Å; V757-L961 HydrophobicContact CG1-CG 3.79Å |
| 758 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 125.1 | 172.6 | -176.6 | 65.9 | 0 | 0 | 0 | 109.6 | V869 L902 Y905 T955 F958 G960 L961 | L758-V869 HydrophobicContact CD1-CB 4.36Å; L758-V869 HydrophobicContact CD1-CG2 3.59Å; L758-L902 HydrophobicContact CD1-CD1 4.17Å; L758-L902 HydrophobicContact CD2-CD1 4.25Å; L758-Y905 HydrophobicContact CB-CD1 4.4Å; L758-Y905 HydrophobicContact CB-CD2 4.39Å; L758-Y905 HydrophobicContact CB-CE1 4Å; L758-Y905 HydrophobicContact CB-CE2 3.96Å; L758-Y905 HydrophobicContact CD1-CD1 4.14Å; L758-Y905 HydrophobicContact CD1-CD2 4.2Å; L758-Y905 HydrophobicContact CD1-CG 3.94Å; L758-Y905 HydrophobicContact CD2-CD1 4.23Å; L758-Y905 HydrophobicContact CD2-CE1 4.22Å; L758-T955 HydrophobicContact CD2-CG2 4.21Å; L758-F958 HydrophobicContact CD2-CB 3.91Å; L758-F958 HydrophobicContact CD2-CD2 3.73Å; L758-F958 HydrophobicContact CD2-CG 4.19Å; L758-G960 CarbonylContact O-C 3.59Å; L758-G960 VanDerWaalsContact O-CA 3.27Å; L758-G960 WeakPolarHBondContact O-CA 3.49Å; L758-L961 PolarHBondContact O-N 2.77Å |
| 759 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 107.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V757 F761 H867 P868 V869 L961 | V757-A759 PolarHBondContact O-N 2.78Å; A759-F761 HydrophobicContact CB-CE2 3.83Å; A759-F761 HydrophobicContact CB-CZ 4.23Å; A759-F761 WeakPolarHBondContact O-CD2 3.47Å; A759-F761 WeakPolarHBondContact O-CE2 3.22Å; A759-H867 PolarHBondContact N-O 2.94Å; A759-P868 CarbonylContact O-C 3.47Å; A759-P868 WeakPolarHBondContact O-CA 3.29Å; A759-V869 PolarHBondContact O-N 2.92Å; A759-L961 HydrophobicContact CB-CB 4.25Å; A759-L961 HydrophobicContact CB-CD1 4.18Å |
| 760 | Q | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.5 | 178 | -169 | -81.1 | -3.6 | 0 | 0 | 110.5 | V869 A951 T955 L961 I963 | Q760-V869 CarbonylContact C-O 3.47Å; Q760-V869 VanDerWaalsContact CA-O 3.29Å; Q760-V869 WeakPolarHBondContact CA-O 3.42Å; Q760-A951 HydrophobicContact CG-CB 4.49Å; Q760-T955 HydrophobicContact CB-CG2 3.83Å; Q760-T955 WeakPolarHBondContact CB-OG1 3.37Å; Q760-L961 PolarHBondContact N-O 3.4Å; Q760-I963 WeakPolarHBondContact O-CD1 3.45Å; Q760-I963 PolarHBondContact O-N 3.46Å |
| 761 | F | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116.1 | 176.2 | -59.8 | -92.6 | 0 | 0 | 0 | 109.8 | F463 L729 V733 A759 W778 I782 L785 P868 V869 S870 F871 I963 | F463-F761 AromaticContact CE2-CD1 3.79Å; F463-F761 HydrophobicContact CE2-CD1 3.79Å; F463-F761 AromaticContact CE2-CE1 3.84Å; F463-F761 HydrophobicContact CE2-CE1 3.84Å; F463-F761 HydrophobicContact CZ-CD1 4.24Å; F463-F761 HydrophobicContact CZ-CE1 4.13Å; L729-F761 HydrophobicContact CD1-CD1 4.35Å; L729-F761 HydrophobicContact CD1-CE1 3.4Å; L729-F761 HydrophobicContact CD1-CZ 3.55Å; V733-F761 HydrophobicContact CG2-CE1 3.88Å; V733-F761 HydrophobicContact CG2-CZ 3.52Å; A759-F761 HydrophobicContact CB-CE2 3.83Å; A759-F761 HydrophobicContact CB-CZ 4.23Å; A759-F761 WeakPolarHBondContact O-CD2 3.47Å; A759-F761 WeakPolarHBondContact O-CE2 3.22Å; F761-W778 HydrophobicContact CB-CH2 4.08Å; F761-W778 HydrophobicContact CB-CZ2 3.58Å; F761-I782 HydrophobicContact CB-CD1 3.52Å; F761-I782 HydrophobicContact CB-CG1 4.36Å; F761-I782 HydrophobicContact CD1-CD1 3.8Å; F761-I782 HydrophobicContact CD1-CG1 3.94Å; F761-I782 HydrophobicContact CD2-CB 4.42Å; F761-I782 HydrophobicContact CD2-CD1 4.06Å; F761-I782 HydrophobicContact CD2-CG1 3.99Å; F761-I782 HydrophobicContact CD2-CG2 3.54Å; F761-I782 HydrophobicContact CE1-CG1 4.18Å; F761-I782 HydrophobicContact CE2-CG1 4.24Å; F761-I782 HydrophobicContact CE2-CG2 3.83Å; F761-I782 HydrophobicContact CG-CD1 3.52Å; F761-I782 HydrophobicContact CG-CG1 3.83Å; F761-I782 HydrophobicContact CG-CG2 4.16Å; F761-I782 HydrophobicContact CZ-CG1 4.32Å; F761-L785 HydrophobicContact CE2-CD2 4.15Å; F761-L785 HydrophobicContact CZ-CD2 3.97Å; F761-P868 HydrophobicContact CE2-CB 4.09Å; F761-V869 PolarHBondContact N-O 3.24Å; F761-S870 WeakPolarHBondContact O-CA 3.38Å; F761-F871 PolarHBondContact O-N 3.36Å; F761-I963 WeakPolarHBondContact CA-O 3.49Å; F761-I963 HydrophobicContact CD1-CB 3.81Å; F761-I963 HydrophobicContact CD1-CD1 4.28Å; F761-I963 HydrophobicContact CD1-CG1 4.3Å; F761-I963 HydrophobicContact CD1-CG2 3.97Å; F761-I963 HydrophobicContact CE1-CB 4.12Å; F761-I963 HydrophobicContact CE1-CD1 3.97Å; F761-I963 HydrophobicContact CE1-CG1 4.11Å; F761-I963 HydrophobicContact CE1-CG2 4.26Å; F761-I963 HydrophobicContact CZ-CD1 4.21Å |
| 762 | E | 98.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.5 | 172.5 | 174.7 | 175.7 | 127 | 0 | 0 | 109.9 | L764 L948 R962 I963 T964 T965 S976 | E762-L764 HydrophobicContact CG-CD2 4.15Å; E762-L948 HydrophobicContact CG-CB 4.42Å; E762-L948 HydrophobicContact CG-CD1 3.83Å; E762-L948 HydrophobicContact CG-CD2 3.97Å; E762-L948 HydrophobicContact CG-CG 4.28Å; E762-R962 IonicContact OE2-NH2 3.78Å; E762-I963 PolarHBondContact N-O 2.83Å; E762-T964 HydrophobicContact CG-CG2 4.43Å; E762-T965 WeakPolarHBondContact O-CA 3.08Å; E762-T965 PolarHBondContact O-N 2.85Å; E762-T965 PolarHBondContact O-OG1 2.89Å; E762-S976 VanDerWaalsContact OE1-CB 3.25Å; E762-S976 WeakPolarHBondContact OE1-CB 3.33Å; E762-S976 PolarHBondContact OE1-OG 2.83Å |
| 763 | G | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F871 V872 V873 | G763-F871 PolarHBondContact N-O 3.18Å; G763-V872 CarbonylContact O-C 3.59Å; G763-V872 VanDerWaalsContact O-CA 3.28Å; G763-V872 WeakPolarHBondContact O-CA 3.44Å; G763-V873 PolarHBondContact O-N 3.21Å |
| 764 | L | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -106.7 | 18.1 | 177.5 | -51 | 175.1 | 0 | 0 | 0 | 113.2 | E762 V873 I875 L948 T964 T965 C966 R972 Y1035 | E762-L764 HydrophobicContact CG-CD2 4.15Å; L764-V873 WeakPolarHBondContact CA-O 3.48Å; L764-I875 HydrophobicContact CB-CG1 4.35Å; L764-I875 HydrophobicContact CD2-CG1 3.74Å; L764-I875 PolarHBondContact O-N 2.81Å; L764-L948 HydrophobicContact CD2-CD1 3.78Å; L764-T964 HydrophobicContact CD1-CG2 4.3Å; L764-T965 WeakPolarHBondContact CB-O 3.5Å; L764-T965 WeakPolarHBondContact CG-O 3.21Å; L764-T965 PolarHBondContact N-O 3.05Å; L764-C966 HydrophobicContact CB-CB 3.92Å; L764-C966 HydrophobicContact CD1-CB 4.4Å; L764-R972 HydrophobicContact CD1-CB 4.21Å; L764-R972 WeakPolarHBondContact CD1-O 3.29Å; L764-R972 PolarHBondContact O-NH1 3.25Å; L764-Y1035 HydrophobicContact CD2-CE1 4.44Å | ||
| 765 | L | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -78.4 | 143.4 | -178.1 | -65.3 | 166.5 | 0 | 0 | 0 | 111.1 | A462 E771 M774 I775 V872 G874 K967 | A462-L765 HydrophobicContact CB-CD1 3.82Å; A462-L765 HydrophobicContact CB-CD2 4.18Å; A462-L765 HydrophobicContact CB-CG 4.47Å; L765-E771 HydrophobicContact CD2-CB 4.44Å; L765-E771 HydrophobicContact CD2-CG 4.23Å; L765-M774 HydrophobicContact CD1-CB 3.97Å; L765-M774 HydrophobicContact CD2-CB 4.26Å; L765-M774 HydrophobicContact CD2-SD 4.17Å; L765-I775 HydrophobicContact CB-CD1 3.9Å; L765-I775 HydrophobicContact CB-CG1 3.53Å; L765-I775 HydrophobicContact CD1-CG1 3.77Å; L765-I775 HydrophobicContact CG-CG1 4.31Å; L765-V872 HydrophobicContact CB-CG2 4.37Å; L765-G874 WeakPolarHBondContact O-CA 3.34Å; L765-G874 PolarHBondContact O-N 2.85Å; L765-K967 HydrophobicContact CD2-CB 4.11Å | ||
| 766 | S | 94.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -86.9 | 151.3 | 174.7 | 59 | 0 | 0 | 0 | 0 | 112 | Y768 E771 I775 Q879 | S766-Y768 PolarHBondContact O-N 3.02Å; S766-E771 WeakPolarHBondContact CB-OE2 3.43Å; S766-E771 PolarHBondContact N-OE2 2.66Å; S766-E771 CarbonylContact O-C 3.52Å; S766-E771 WeakPolarHBondContact O-CB 3.33Å; S766-E771 PolarHBondContact OG-OE2 3.32Å; S766-I775 WeakPolarHBondContact O-CD1 3.44Å; S766-Q879 VanDerWaalsContact CA-OE1 3.3Å | ||
| 767 | C | 92.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -82.2 | 34.1 | 176.3 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | A882 K887 Q891 | C767-A882 HydrophobicContact CB-CB 4.1Å; C767-K887 WeakPolarHBondContact CB-O 3.45Å; C767-Q891 WeakPolarHBondContact SG-CB 3.42Å |
| 768 | Y | 89.4 | Confident | 96 | Very high | 85 Ų | 85 | 13.1 Ų | 13.1 | 33% | 0.333 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -133.2 | 138.3 | -174.2 | -165 | -91.3 | 0 | 0 | 0 | 112.1 | S766 E771 L878 V881 L885 | S766-Y768 PolarHBondContact O-N 3.02Å; Y768-E771 PolarHBondContact O-N 3.22Å; Y768-L878 HydrophobicContact CD1-CB 4.35Å; Y768-L878 HydrophobicContact CD1-CD1 4.37Å; Y768-L878 HydrophobicContact CD1-CD2 3.99Å; Y768-L878 HydrophobicContact CD1-CG 4.47Å; Y768-L878 HydrophobicContact CE1-CD2 4.33Å; Y768-L878 HydrophobicContact CG-CB 4.46Å; Y768-V881 HydrophobicContact CD2-CG1 4.12Å; Y768-V881 HydrophobicContact CE2-CG1 3.81Å; Y768-L885 HydrophobicContact CE2-CD1 3.96Å |
| 769 | G | 90 | Very high | 96 | Very high | 49 Ų | 49 | 13.3 Ų | 13.3 | 51% | 0.505 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -139.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E771 Q772 | G769-E771 PolarHBondContact O-N 3.38Å; G769-E771 VanDerWaalsContact O-N 3.14Å; G769-Q772 WeakPolarHBondContact O-CB 3.5Å; G769-Q772 PolarHBondContact O-N 3.08Å; G769-Q772 VanDerWaalsContact O-N 3.09Å |
| 770 | D | 92.4 | Very high | 96 | Very high | 75 Ų | 75 | 13.3 Ų | 13.3 | 40% | 0.401 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -56.8 | -27.9 | -179.6 | -73 | -9.4 | 0 | 0 | 0 | 113.9 | Y470 Q772 G773 M774 | Y470-D770 HydrophobicContact CD2-CB 3.58Å; Y470-D770 VanDerWaalsContact CD2-O 3.31Å; Y470-D770 WeakPolarHBondContact CD2-O 3.5Å; Y470-D770 HydrophobicContact CE2-CB 4.11Å; D770-Q772 VanDerWaalsContact C-N 3.27Å; D770-Q772 PolarHBondContact O-N 3.32Å; D770-G773 PolarHBondContact O-N 3.15Å; D770-M774 WeakPolarHBondContact O-CG 3.17Å; D770-M774 PolarHBondContact O-N 3.29Å; D770-M774 VanDerWaalsContact O-N 3.1Å |
| 771 | E | 94.6 | Very high | 96 | Very high | 10 Ų | 10 | 13.3 Ų | 13.3 | 5% | 0.047 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.4 | -24.3 | -179.6 | -68.7 | -165.4 | 171.8 | 0 | 0 | 112.6 | L765 S766 Y768 G769 M774 I775 K967 R972 | L765-E771 HydrophobicContact CD2-CB 4.44Å; L765-E771 HydrophobicContact CD2-CG 4.23Å; S766-E771 WeakPolarHBondContact CB-OE2 3.43Å; S766-E771 PolarHBondContact N-OE2 2.66Å; S766-E771 CarbonylContact O-C 3.52Å; S766-E771 WeakPolarHBondContact O-CB 3.33Å; S766-E771 PolarHBondContact OG-OE2 3.32Å; Y768-E771 PolarHBondContact O-N 3.22Å; G769-E771 PolarHBondContact O-N 3.38Å; G769-E771 VanDerWaalsContact O-N 3.14Å; E771-M774 HydrophobicContact CG-SD 4.23Å; E771-M774 WeakPolarHBondContact O-CB 3.38Å; E771-M774 PolarHBondContact O-N 2.91Å; E771-I775 WeakPolarHBondContact O-CG1 3.42Å; E771-I775 PolarHBondContact O-N 3.29Å; E771-K967 HydrophobicContact CG-CD 4.35Å; E771-K967 WeakPolarHBondContact OE1-CD 3.37Å; E771-R972 IonicContact OE1-CZ 3.6Å; E771-R972 IonicContact OE1-NH1 3.77Å; E771-R972 PolarHBondContact OE1-NH1 3.38Å; E771-R972 IonicContact OE1-NH2 3.52Å; E771-R972 PolarHBondContact OE1-NH2 2.85Å; E771-R972 IonicContact OE2-CZ 3.11Å; E771-R972 IonicContact OE2-NH1 2.78Å; E771-R972 PolarHBondContact OE2-NH1 3.45Å; E771-R972 IonicContact OE2-NH2 2.67Å |
| 772 | Q | 94.5 | Very high | 96 | Very high | 46 Ų | 46 | 13.3 Ų | 13.3 | 22% | 0.215 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 172.4 | -170.3 | -173.1 | -53 | 0 | 0 | 110.7 | G769 D770 M774 I775 E776 V890 | G769-Q772 WeakPolarHBondContact O-CB 3.5Å; G769-Q772 PolarHBondContact O-N 3.08Å; G769-Q772 VanDerWaalsContact O-N 3.09Å; D770-Q772 VanDerWaalsContact C-N 3.27Å; D770-Q772 PolarHBondContact O-N 3.32Å; Q772-M774 VanDerWaalsContact C-N 3.27Å; Q772-M774 PolarHBondContact O-N 2.88Å; Q772-I775 WeakPolarHBondContact O-CB 3.49Å; Q772-I775 PolarHBondContact O-N 3.07Å; Q772-I775 VanDerWaalsContact O-N 3.13Å; Q772-E776 PolarHBondContact NE2-OE1 2.85Å; Q772-E776 WeakPolarHBondContact O-CG 3.4Å; Q772-E776 PolarHBondContact O-N 2.91Å; Q772-E776 VanDerWaalsContact O-N 3.08Å; Q772-V890 HydrophobicContact CG-CB 4.49Å; Q772-V890 HydrophobicContact CG-CG2 4.1Å |
| 773 | G | 95.2 | Very high | 96 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.8 | -30.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | Y470 G474 D770 E776 D777 | Y470-G773 VanDerWaalsContact CD1-CA 3.47Å; Y470-G773 VanDerWaalsContact CE1-C 3.47Å; G474-G773 WeakPolarHBondContact CA-O 3.4Å; D770-G773 PolarHBondContact O-N 3.15Å; G773-E776 PolarHBondContact O-N 3.27Å; G773-D777 PolarHBondContact O-N 3.28Å; G773-D777 VanDerWaalsContact O-N 3.08Å |
| 774 | M | 97.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.015 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 170.6 | -71 | 178 | 154.9 | 0 | 0 | 112.4 | A462 A466 Y470 L765 D770 E771 Q772 E776 D777 W778 K967 | A462-M774 HydrophobicContact CB-CB 4.47Å; A466-M774 HydrophobicContact CB-CE 4.07Å; Y470-M774 HydrophobicContact CE1-CG 3.94Å; Y470-M774 HydrophobicContact CE2-CE 3.95Å; Y470-M774 HydrophobicContact CE2-CG 3.72Å; Y470-M774 WeakPolarHBondContact OH-CE 3.2Å; Y470-M774 WeakPolarHBondContact OH-CG 3.42Å; L765-M774 HydrophobicContact CD1-CB 3.97Å; L765-M774 HydrophobicContact CD2-CB 4.26Å; L765-M774 HydrophobicContact CD2-SD 4.17Å; D770-M774 WeakPolarHBondContact O-CG 3.17Å; D770-M774 PolarHBondContact O-N 3.29Å; D770-M774 VanDerWaalsContact O-N 3.1Å; E771-M774 HydrophobicContact CG-SD 4.23Å; E771-M774 WeakPolarHBondContact O-CB 3.38Å; E771-M774 PolarHBondContact O-N 2.91Å; Q772-M774 VanDerWaalsContact C-N 3.27Å; Q772-M774 PolarHBondContact O-N 2.88Å; M774-E776 VanDerWaalsContact C-N 3.27Å; M774-E776 PolarHBondContact O-N 3.1Å; M774-D777 PolarHBondContact O-N 2.83Å; M774-W778 WeakPolarHBondContact O-CB 3.5Å; M774-W778 PolarHBondContact O-N 2.88Å; M774-K967 HydrophobicContact CE-CG 4.01Å; M774-K967 HydrophobicContact SD-CB 4.36Å; M774-K967 HydrophobicContact SD-CD 4.3Å; M774-K967 HydrophobicContact SD-CG 3.9Å |
| 775 | I | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.1 | -66.9 | 165.9 | 0 | 0 | 0 | 109.9 | L765 S766 E771 Q772 W778 A779 V872 V890 V894 | L765-I775 HydrophobicContact CB-CD1 3.9Å; L765-I775 HydrophobicContact CB-CG1 3.53Å; L765-I775 HydrophobicContact CD1-CG1 3.77Å; L765-I775 HydrophobicContact CG-CG1 4.31Å; S766-I775 WeakPolarHBondContact O-CD1 3.44Å; E771-I775 WeakPolarHBondContact O-CG1 3.42Å; E771-I775 PolarHBondContact O-N 3.29Å; Q772-I775 WeakPolarHBondContact O-CB 3.49Å; Q772-I775 PolarHBondContact O-N 3.07Å; Q772-I775 VanDerWaalsContact O-N 3.13Å; I775-W778 PolarHBondContact O-N 3.2Å; I775-A779 VanDerWaalsContact O-CB 3.24Å; I775-A779 WeakPolarHBondContact O-CB 3.26Å; I775-A779 PolarHBondContact O-N 3.23Å; I775-V872 HydrophobicContact CD1-CG2 4.13Å; I775-V872 HydrophobicContact CG1-CG2 4.21Å; I775-V872 HydrophobicContact CG2-CG1 4.48Å; I775-V890 HydrophobicContact CB-CG1 4.31Å; I775-V890 HydrophobicContact CG2-CG1 3.69Å; I775-V894 HydrophobicContact CG2-CG2 3.97Å |
| 776 | E | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 179.5 | -68.1 | 169.1 | 172.6 | 0 | 0 | 112.3 | G474 F476 R477 Y490 Q772 G773 M774 W780 V890 | G474-E776 PolarHBondContact N-OE2 2.85Å; F476-E776 HydrophobicContact CB-CB 4.09Å; F476-E776 HydrophobicContact CB-CG 4.28Å; F476-E776 VanDerWaalsContact CD2-O 3.25Å; F476-E776 WeakPolarHBondContact CD2-O 3.25Å; R477-E776 VanDerWaalsContact CB-OE2 3.29Å; R477-E776 WeakPolarHBondContact CB-OE2 2.86Å; Y490-E776 WeakPolarHBondContact CE1-OE1 3.37Å; Y490-E776 VanDerWaalsContact OH-CG 3.23Å; Y490-E776 WeakPolarHBondContact OH-CG 3.27Å; Y490-E776 PolarHBondContact OH-OE1 2.84Å; Q772-E776 PolarHBondContact NE2-OE1 2.85Å; Q772-E776 WeakPolarHBondContact O-CG 3.4Å; Q772-E776 PolarHBondContact O-N 2.91Å; Q772-E776 VanDerWaalsContact O-N 3.08Å; G773-E776 PolarHBondContact O-N 3.27Å; M774-E776 VanDerWaalsContact C-N 3.27Å; M774-E776 PolarHBondContact O-N 3.1Å; E776-W780 VanDerWaalsContact O-CB 3.25Å; E776-W780 WeakPolarHBondContact O-CB 3.3Å; E776-W780 PolarHBondContact O-N 3.23Å; E776-V890 HydrophobicContact CG-CG1 4.3Å |
| 777 | D | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -48.5 | 172.2 | -76.9 | -3 | 0 | 0 | 0 | 112.2 | F463 L465 G474 L475 R721 G773 M774 W780 A781 | F463-D777 CarbonylContact O-C 3.54Å; F463-D777 WeakPolarHBondContact O-CB 3.35Å; L465-D777 PolarHBondContact N-OD2 3.37Å; G474-D777 WeakPolarHBondContact CA-OD1 3.39Å; L475-D777 WeakPolarHBondContact CG-OD1 3.49Å; L475-D777 PolarHBondContact N-OD1 3.05Å; R721-D777 WeakPolarHBondContact CD-OD1 3.38Å; R721-D777 IonicContact CZ-OD2 2.97Å; R721-D777 IonicContact NH1-OD1 3.84Å; R721-D777 PolarHBondContact NH1-OD1 2.82Å; R721-D777 IonicContact NH1-OD2 3.88Å; R721-D777 PolarHBondContact NH1-OD2 3.02Å; G773-D777 PolarHBondContact O-N 3.28Å; G773-D777 VanDerWaalsContact O-N 3.08Å; M774-D777 PolarHBondContact O-N 2.83Å; D777-W780 PolarHBondContact O-N 3.45Å; D777-A781 WeakPolarHBondContact O-CB 3.39Å; D777-A781 PolarHBondContact O-N 2.85Å |
| 778 | W | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | -174.2 | 174.5 | 87.6 | 0 | 0 | 0 | 111.5 | F463 F761 M774 I775 A781 I782 S870 V872 V894 T965 | F463-W778 AromaticContact CD2-CD1 3.44Å; F463-W778 VanDerWaalsContact CD2-CD1 3.44Å; F463-W778 HydrophobicContact CD2-CG 4.33Å; F463-W778 AromaticContact CD2-NE1 3.85Å; F463-W778 AromaticContact CE2-CD1 3.93Å; F463-W778 AromaticContact CE2-NE1 3.84Å; F463-W778 WeakPolarHBondContact O-CA 3.48Å; F463-W778 PolarHBondContact O-N 3.38Å; F761-W778 HydrophobicContact CB-CH2 4.08Å; F761-W778 HydrophobicContact CB-CZ2 3.58Å; M774-W778 WeakPolarHBondContact O-CB 3.5Å; M774-W778 PolarHBondContact O-N 2.88Å; I775-W778 PolarHBondContact O-N 3.2Å; W778-A781 PolarHBondContact O-N 3.35Å; W778-I782 HydrophobicContact CD2-CD1 3.41Å; W778-I782 VanDerWaalsContact CD2-CD1 3.41Å; W778-I782 HydrophobicContact CE3-CD1 3.84Å; W778-I782 HydrophobicContact CG-CD1 3.97Å; W778-I782 HydrophobicContact CH2-CD1 3.83Å; W778-I782 HydrophobicContact CZ2-CD1 3.41Å; W778-I782 VanDerWaalsContact CZ2-CD1 3.41Å; W778-I782 HydrophobicContact CZ3-CD1 4.02Å; W778-I782 WeakPolarHBondContact O-CD1 3.13Å; W778-I782 VanDerWaalsContact O-CG1 3.28Å; W778-I782 WeakPolarHBondContact O-CG1 3.47Å; W778-I782 PolarHBondContact O-N 2.95Å; W778-I782 VanDerWaalsContact O-N 3.08Å; W778-S870 VanDerWaalsContact CH2-CB 3.48Å; W778-V872 HydrophobicContact CZ3-CB 4.37Å; W778-V894 HydrophobicContact CZ3-CG1 4.02Å; W778-T965 PolarHBondContact NE1-OG1 3.16Å |
| 779 | A | 98.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.3 | -37.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F476 I775 I782 D783 V894 | F476-A779 HydrophobicContact CD2-CB 4.25Å; F476-A779 HydrophobicContact CE2-CB 3.68Å; I775-A779 VanDerWaalsContact O-CB 3.24Å; I775-A779 WeakPolarHBondContact O-CB 3.26Å; I775-A779 PolarHBondContact O-N 3.23Å; A779-I782 PolarHBondContact O-N 3.05Å; A779-D783 PolarHBondContact O-N 2.85Å; A779-V894 HydrophobicContact CB-CG1 4.18Å; A779-V894 HydrophobicContact CB-CG2 3.64Å |
| 780 | W | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.4 | -52.2 | 175.1 | 178.5 | -74.1 | 0 | 0 | 0 | 111.2 | L475 F476 A479 Y497 I500 A507 F718 H722 E776 D777 I782 D783 Y784 | L475-W780 HydrophobicContact CB-CB 3.75Å; L475-W780 HydrophobicContact CB-CD2 3.72Å; L475-W780 HydrophobicContact CB-CE3 4.06Å; L475-W780 HydrophobicContact CB-CG 3.56Å; L475-W780 HydrophobicContact CD1-CB 4.07Å; L475-W780 HydrophobicContact CD1-CG 3.75Å; L475-W780 HydrophobicContact CG-CG 4.26Å; F476-W780 AromaticContact CD1-CE3 3.46Å; F476-W780 HydrophobicContact CD1-CE3 3.46Å; F476-W780 VanDerWaalsContact CD1-CE3 3.46Å; F476-W780 AromaticContact CD1-CZ3 3.85Å; F476-W780 HydrophobicContact CD1-CZ3 3.85Å; F476-W780 HydrophobicContact CD2-CB 4.09Å; F476-W780 HydrophobicContact CD2-CE3 4.49Å; F476-W780 AromaticContact CE1-CE3 3.66Å; F476-W780 HydrophobicContact CE1-CE3 3.66Å; F476-W780 HydrophobicContact CE1-CZ3 4.1Å; F476-W780 HydrophobicContact CE2-CB 4.01Å; F476-W780 AromaticContact CG-CE3 3.91Å; F476-W780 HydrophobicContact CG-CE3 3.91Å; F476-W780 HydrophobicContact CZ-CB 4.39Å; F476-W780 HydrophobicContact CZ-CE3 4.27Å; A479-W780 HydrophobicContact CB-CH2 3.67Å; A479-W780 HydrophobicContact CB-CZ3 3.48Å; A479-W780 VanDerWaalsContact CB-CZ3 3.48Å; Y497-W780 HydrophobicContact CD2-CD2 4.18Å; Y497-W780 AromaticContact CD2-CE2 3.57Å; Y497-W780 HydrophobicContact CD2-CE3 4.5Å; Y497-W780 AromaticContact CD2-CH2 3.7Å; Y497-W780 HydrophobicContact CD2-CH2 3.7Å; Y497-W780 AromaticContact CD2-CZ2 3.32Å; Y497-W780 HydrophobicContact CD2-CZ2 3.32Å; Y497-W780 HydrophobicContact CD2-CZ3 4.28Å; Y497-W780 HydrophobicContact CE2-CH2 4.12Å; Y497-W780 AromaticContact CE2-CZ2 3.56Å; Y497-W780 HydrophobicContact CE2-CZ2 3.56Å; I500-W780 HydrophobicContact CG2-CZ3 4Å; A507-W780 HydrophobicContact CB-CH2 3.66Å; A507-W780 HydrophobicContact CB-CZ2 4.13Å; F718-W780 HydrophobicContact CE1-CZ2 4.07Å; F718-W780 AromaticContact CZ-CH2 3.73Å; F718-W780 HydrophobicContact CZ-CH2 3.73Å; F718-W780 AromaticContact CZ-CZ2 3.49Å; F718-W780 HydrophobicContact CZ-CZ2 3.49Å; F718-W780 VanDerWaalsContact CZ-CZ2 3.49Å; F718-W780 HydrophobicContact CZ-CZ3 4.41Å; H722-W780 AromaticContact CE1-NE1 3.8Å; H722-W780 AromaticContact ND1-CD1 3.86Å; H722-W780 AromaticContact ND1-NE1 3.26Å; H722-W780 PolarHBondContact ND1-NE1 3.25Å; E776-W780 VanDerWaalsContact O-CB 3.25Å; E776-W780 WeakPolarHBondContact O-CB 3.3Å; E776-W780 PolarHBondContact O-N 3.23Å; D777-W780 PolarHBondContact O-N 3.45Å; W780-I782 VanDerWaalsContact C-N 3.31Å; W780-I782 PolarHBondContact O-N 3.43Å; W780-D783 PolarHBondContact O-N 3.48Å; W780-Y784 WeakPolarHBondContact O-CB 3.5Å; W780-Y784 PolarHBondContact O-N 3.48Å |
| 781 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F463 C725 L729 D777 W778 D783 Y784 L785 | F463-A781 HydrophobicContact CB-CB 4.44Å; C725-A781 HydrophobicContact CB-CB 4.07Å; L729-A781 HydrophobicContact CB-CB 4.35Å; L729-A781 HydrophobicContact CD2-CB 3.98Å; L729-A781 WeakPolarHBondContact CD2-O 3.49Å; D777-A781 WeakPolarHBondContact O-CB 3.39Å; D777-A781 PolarHBondContact O-N 2.85Å; W778-A781 PolarHBondContact O-N 3.35Å; A781-D783 PolarHBondContact O-N 2.85Å; A781-Y784 WeakPolarHBondContact O-CB 3.42Å; A781-Y784 PolarHBondContact O-N 3.42Å; A781-L785 PolarHBondContact O-N 2.96Å |
| 782 | I | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | -179.5 | -72.9 | 163.8 | 0 | 0 | 0 | 111.5 | F463 L729 F761 W778 A779 W780 Y784 L785 P868 | F463-I782 HydrophobicContact CD2-CD1 4.26Å; F463-I782 HydrophobicContact CD2-CG1 4.12Å; F463-I782 HydrophobicContact CE2-CD1 4.15Å; F463-I782 HydrophobicContact CE2-CG1 4.08Å; L729-I782 HydrophobicContact CD1-CG1 3.96Å; F761-I782 HydrophobicContact CB-CD1 3.52Å; F761-I782 HydrophobicContact CB-CG1 4.36Å; F761-I782 HydrophobicContact CD1-CD1 3.8Å; F761-I782 HydrophobicContact CD1-CG1 3.94Å; F761-I782 HydrophobicContact CD2-CB 4.42Å; F761-I782 HydrophobicContact CD2-CD1 4.06Å; F761-I782 HydrophobicContact CD2-CG1 3.99Å; F761-I782 HydrophobicContact CD2-CG2 3.54Å; F761-I782 HydrophobicContact CE1-CG1 4.18Å; F761-I782 HydrophobicContact CE2-CG1 4.24Å; F761-I782 HydrophobicContact CE2-CG2 3.83Å; F761-I782 HydrophobicContact CG-CD1 3.52Å; F761-I782 HydrophobicContact CG-CG1 3.83Å; F761-I782 HydrophobicContact CG-CG2 4.16Å; F761-I782 HydrophobicContact CZ-CG1 4.32Å; W778-I782 HydrophobicContact CD2-CD1 3.41Å; W778-I782 VanDerWaalsContact CD2-CD1 3.41Å; W778-I782 HydrophobicContact CE3-CD1 3.84Å; W778-I782 HydrophobicContact CG-CD1 3.97Å; W778-I782 HydrophobicContact CH2-CD1 3.83Å; W778-I782 HydrophobicContact CZ2-CD1 3.41Å; W778-I782 VanDerWaalsContact CZ2-CD1 3.41Å; W778-I782 HydrophobicContact CZ3-CD1 4.02Å; W778-I782 WeakPolarHBondContact O-CD1 3.13Å; W778-I782 VanDerWaalsContact O-CG1 3.28Å; W778-I782 WeakPolarHBondContact O-CG1 3.47Å; W778-I782 PolarHBondContact O-N 2.95Å; W778-I782 VanDerWaalsContact O-N 3.08Å; A779-I782 PolarHBondContact O-N 3.05Å; W780-I782 VanDerWaalsContact C-N 3.31Å; W780-I782 PolarHBondContact O-N 3.43Å; I782-Y784 VanDerWaalsContact C-N 3.32Å; I782-Y784 PolarHBondContact O-N 3.05Å; I782-L785 WeakPolarHBondContact O-CB 3.37Å; I782-L785 PolarHBondContact O-N 2.91Å; I782-L785 VanDerWaalsContact O-N 3.15Å; I782-P868 HydrophobicContact CG2-CB 3.6Å; I782-P868 VanDerWaalsContact O-CB 3.29Å; I782-P868 WeakPolarHBondContact O-CB 3.15Å; I782-P868 VanDerWaalsContact O-CG 3.27Å; I782-P868 WeakPolarHBondContact O-CG 3.25Å |
| 783 | D | 97.7 | Very high | 96.7 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 3% | 0.032 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.1 | -35 | -179.8 | -163.3 | 41.5 | 0 | 0 | 0 | 111.8 | Y497 A779 W780 A781 L785 L786 H897 | Y497-D783 VanDerWaalsContact CB-OD2 3.3Å; Y497-D783 WeakPolarHBondContact CB-OD2 3.35Å; Y497-D783 PolarHBondContact N-OD2 3.38Å; A779-D783 PolarHBondContact O-N 2.85Å; W780-D783 PolarHBondContact O-N 3.48Å; A781-D783 PolarHBondContact O-N 2.85Å; D783-L785 PolarHBondContact O-N 2.84Å; D783-L785 VanDerWaalsContact O-N 3.13Å; D783-L786 WeakPolarHBondContact O-CB 3.49Å; D783-L786 PolarHBondContact O-N 2.99Å; D783-L786 WeakPolarHBondContact OD1-CD1 3.45Å; D783-H897 IonicContact OD1-CD2 2.96Å; D783-H897 IonicContact OD1-CE1 3.81Å; D783-H897 IonicContact OD1-NE2 3.45Å; D783-H897 PolarHBondContact OD1-NE2 3.18Å; D783-H897 IonicContact OD2-CE1 3.78Å; D783-H897 IonicContact OD2-NE2 3.35Å; D783-H897 PolarHBondContact OD2-NE2 2.88Å |
| 784 | Y | 96.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 15.9 Ų | 15.9 | 7% | 0.067 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.8 | -24.5 | 173.3 | -177.2 | -98.6 | 0 | 0 | 0 | 113.1 | Y497 C511 H722 V726 W780 A781 I782 L786 T787 | Y497-Y784 HydrophobicContact CD1-CD2 4.32Å; Y497-Y784 HydrophobicContact CD2-CD2 4.38Å; Y497-Y784 AromaticContact CE1-CD2 3.88Å; Y497-Y784 HydrophobicContact CE1-CD2 3.88Å; Y497-Y784 AromaticContact CE2-CD2 3.95Å; Y497-Y784 HydrophobicContact CE2-CD2 3.95Å; Y497-Y784 AromaticContact CZ-CD2 3.7Å; C511-Y784 HydrophobicContact CB-CD2 4.4Å; C511-Y784 HydrophobicContact CB-CE2 3.89Å; H722-Y784 AromaticContact CE1-CD1 3.86Å; H722-Y784 AromaticContact CE1-CD2 3.73Å; H722-Y784 AromaticContact CE1-CE1 3.88Å; H722-Y784 AromaticContact CE1-CE2 3.75Å; H722-Y784 AromaticContact CE1-CG 3.78Å; H722-Y784 AromaticContact CE1-CZ 3.82Å; H722-Y784 AromaticContact NE2-CE1 3.9Å; H722-Y784 AromaticContact NE2-CE2 3.94Å; H722-Y784 AromaticContact NE2-CZ 3.69Å; V726-Y784 HydrophobicContact CG1-CD1 4.19Å; V726-Y784 HydrophobicContact CG1-CE1 4.14Å; V726-Y784 HydrophobicContact CG2-CD1 3.63Å; V726-Y784 HydrophobicContact CG2-CE1 4.06Å; V726-Y784 HydrophobicContact CG2-CG 4.36Å; W780-Y784 WeakPolarHBondContact O-CB 3.5Å; W780-Y784 PolarHBondContact O-N 3.48Å; A781-Y784 WeakPolarHBondContact O-CB 3.42Å; A781-Y784 PolarHBondContact O-N 3.42Å; I782-Y784 VanDerWaalsContact C-N 3.32Å; I782-Y784 PolarHBondContact O-N 3.05Å; Y784-L786 PolarHBondContact O-N 2.7Å; Y784-T787 HydrophobicContact CD2-CG2 4.25Å; Y784-T787 HydrophobicContact CE2-CG2 4.22Å; Y784-T787 WeakPolarHBondContact O-CB 3.24Å; Y784-T787 WeakPolarHBondContact O-CG2 3.43Å; Y784-T787 PolarHBondContact O-N 2.84Å; Y784-T787 PolarHBondContact O-OG1 3.23Å |
| 785 | L | 96.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -56.6 | -24.8 | 177.8 | -164.2 | 64.1 | 0 | 0 | 0 | 113.6 | L729 L730 V733 F761 A781 I782 D783 T787 Y788 L866 P868 | L729-L785 HydrophobicContact CD2-CB 4.16Å; L729-L785 HydrophobicContact CD2-CD1 4.09Å; L729-L785 HydrophobicContact CG-CD1 4.4Å; L730-L785 HydrophobicContact CD2-CD1 3.71Å; V733-L785 HydrophobicContact CG1-CD2 4.43Å; V733-L785 HydrophobicContact CG2-CD2 3.96Å; F761-L785 HydrophobicContact CE2-CD2 4.15Å; F761-L785 HydrophobicContact CZ-CD2 3.97Å; A781-L785 PolarHBondContact O-N 2.96Å; I782-L785 WeakPolarHBondContact O-CB 3.37Å; I782-L785 PolarHBondContact O-N 2.91Å; I782-L785 VanDerWaalsContact O-N 3.15Å; D783-L785 PolarHBondContact O-N 2.84Å; D783-L785 VanDerWaalsContact O-N 3.13Å; L785-T787 PolarHBondContact O-N 3.41Å; L785-T787 VanDerWaalsContact O-N 3.14Å; L785-Y788 WeakPolarHBondContact O-CB 3.5Å; L785-Y788 PolarHBondContact O-N 2.86Å; L785-L866 HydrophobicContact CD1-CD1 3.67Å; L785-L866 HydrophobicContact CD2-CB 3.97Å; L785-L866 HydrophobicContact CD2-CD1 4.03Å; L785-L866 HydrophobicContact CG-CB 3.88Å; L785-L866 HydrophobicContact CG-CD1 3.83Å; L785-P868 HydrophobicContact CB-CB 4.34Å; L785-P868 HydrophobicContact CB-CG 4.15Å; L785-P868 HydrophobicContact CD2-CB 4.25Å |
| 786 | L | 94.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 21.8 Ų | 21.8 | 37% | 0.372 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | -55.5 | -28.4 | 173.7 | -75.2 | 169.2 | 0 | 0 | 0 | 113.1 | D783 Y784 R789 P868 | D783-L786 WeakPolarHBondContact O-CB 3.49Å; D783-L786 PolarHBondContact O-N 2.99Å; D783-L786 WeakPolarHBondContact OD1-CD1 3.45Å; Y784-L786 PolarHBondContact O-N 2.7Å; L786-R789 PolarHBondContact O-NH1 3.33Å; L786-R789 PolarHBondContact O-NH2 3.29Å; L786-P868 HydrophobicContact CD2-CG 4.07Å; L786-P868 HydrophobicContact CG-CG 3.73Å |
| 787 | T | 93.1 | Very high | 92.4 | Very high | 44 Ų | 44 | 28.5 Ų | 28.5 | 27% | 0.27 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -80.2 | -22 | 179.4 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | Y497 Y784 L785 | Y497-T787 HydrophobicContact CE1-CG2 4.15Å; Y784-T787 HydrophobicContact CD2-CG2 4.25Å; Y784-T787 HydrophobicContact CE2-CG2 4.22Å; Y784-T787 WeakPolarHBondContact O-CB 3.24Å; Y784-T787 WeakPolarHBondContact O-CG2 3.43Å; Y784-T787 PolarHBondContact O-N 2.84Å; Y784-T787 PolarHBondContact O-OG1 3.23Å; L785-T787 PolarHBondContact O-N 3.41Å; L785-T787 VanDerWaalsContact O-N 3.14Å |
| 788 | Y | 95 | Very high | 89.7 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | trans | -77.8 | 147.3 | -172.7 | -152.1 | -95.4 | 0 | 0 | 0 | 112.2 | L730 L785 V790 L837 N838 C840 | L730-Y788 HydrophobicContact CD1-CD2 3.89Å; L730-Y788 HydrophobicContact CD1-CE1 4.47Å; L730-Y788 HydrophobicContact CD1-CE2 3.27Å; L730-Y788 HydrophobicContact CD2-CD1 3.65Å; L730-Y788 HydrophobicContact CD2-CD2 3.59Å; L730-Y788 HydrophobicContact CD2-CE1 3.7Å; L730-Y788 HydrophobicContact CD2-CE2 3.63Å; L730-Y788 HydrophobicContact CD2-CG 3.6Å; L730-Y788 HydrophobicContact CG-CD2 4.37Å; L730-Y788 HydrophobicContact CG-CE2 4.09Å; L785-Y788 WeakPolarHBondContact O-CB 3.5Å; L785-Y788 PolarHBondContact O-N 2.86Å; Y788-V790 HydrophobicContact CD1-CG2 4.07Å; Y788-V790 HydrophobicContact CE1-CG2 4.23Å; Y788-L837 VanDerWaalsContact CE2-O 3.27Å; Y788-L837 WeakPolarHBondContact CE2-O 3.37Å; Y788-N838 WeakPolarHBondContact CA-O 3.41Å; Y788-N838 HydrophobicContact CD2-CB 4.43Å; Y788-N838 WeakPolarHBondContact CD2-O 3.5Å; Y788-N838 VanDerWaalsContact CE2-C 3.46Å; Y788-C840 HydrophobicContact CE1-CB 4.2Å; Y788-C840 WeakPolarHBondContact OH-CB 3.24Å | ||
| 789 | R | 95.7 | Very high | 86.8 | Confident | 59 Ų | 59 | 40 Ų | 40 | 22% | 0.223 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.7 | 177.3 | -56.8 | -66.9 | 173 | -112.8 | 0.4 | 110.6 | L786 N838 E839 C840 R863 | L786-R789 PolarHBondContact O-NH1 3.33Å; L786-R789 PolarHBondContact O-NH2 3.29Å; R789-N838 PolarHBondContact N-O 3.47Å; R789-E839 HydrophobicContact CB-CG 4.21Å; R789-E839 WeakPolarHBondContact O-CA 3.37Å; R789-C840 PolarHBondContact O-N 3.37Å; R789-C840 VanDerWaalsContact O-N 3.14Å; R789-R863 HydrophobicContact CB-CG 4.23Å |
| 790 | V | 97.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.1 | 176.6 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | L734 L737 Y788 L792 L842 R863 I864 L866 | L734-V790 HydrophobicContact CD2-CG1 4.28Å; L734-V790 HydrophobicContact CD2-CG2 4.19Å; L737-V790 HydrophobicContact CD1-CG1 4.47Å; L737-V790 HydrophobicContact CD1-CG2 4.21Å; Y788-V790 HydrophobicContact CD1-CG2 4.07Å; Y788-V790 HydrophobicContact CE1-CG2 4.23Å; V790-L792 HydrophobicContact CG1-CD2 3.87Å; V790-L842 HydrophobicContact CG1-CB 4.12Å; V790-R863 WeakPolarHBondContact O-CA 3.2Å; V790-I864 HydrophobicContact CB-CD1 4.37Å; V790-I864 HydrophobicContact CB-CG1 3.93Å; V790-I864 HydrophobicContact CG1-CG1 4.5Å; V790-I864 PolarHBondContact N-O 3Å; V790-I864 WeakPolarHBondContact O-CG1 3.11Å; V790-I864 PolarHBondContact O-N 3.3Å; V790-L866 HydrophobicContact CG2-CD1 4.1Å |
| 791 | T | 96.9 | Very high | 80.2 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 115.4 | 174.6 | -57.6 | 0 | 0 | 0 | 0 | 108.8 | C840 E841 L842 R861 V862 | T791-C840 PolarHBondContact N-O 3.12Å; T791-E841 HydrophobicContact CG2-CG 4.45Å; T791-E841 CarbonylContact O-C 3.51Å; T791-E841 VanDerWaalsContact O-CA 3.25Å; T791-E841 WeakPolarHBondContact O-CA 3.48Å; T791-L842 PolarHBondContact O-N 3.04Å; T791-R861 HydrophobicContact CG2-CB 4.22Å; T791-V862 CarbonylContact C-O 3.32Å; T791-V862 WeakPolarHBondContact CA-O 3.42Å |
| 792 | L | 96 | Very high | 77 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 136.5 | 177 | -56.3 | -176.7 | 0 | 0 | 0 | 110 | I741 W744 W749 V790 L842 V844 W849 R861 V862 I864 | I741-L792 HydrophobicContact CD1-CD1 3.95Å; I741-L792 HydrophobicContact CD1-CD2 3.68Å; I741-L792 HydrophobicContact CD1-CG 4.49Å; I741-L792 HydrophobicContact CG1-CD1 4.47Å; W744-L792 HydrophobicContact CH2-CD1 4.46Å; W744-L792 HydrophobicContact CZ3-CD1 3.93Å; W749-L792 HydrophobicContact CH2-CD1 3.92Å; W749-L792 HydrophobicContact CZ3-CD1 3.65Å; V790-L792 HydrophobicContact CG1-CD2 3.87Å; L792-L842 WeakPolarHBondContact CA-O 3.36Å; L792-L842 HydrophobicContact CD2-CB 3.97Å; L792-L842 HydrophobicContact CD2-CD2 4.11Å; L792-L842 HydrophobicContact CD2-CG 4.47Å; L792-V844 HydrophobicContact CB-CG2 3.89Å; L792-V844 HydrophobicContact CD1-CG2 4.4Å; L792-V844 HydrophobicContact CD2-CG2 4.12Å; L792-V844 HydrophobicContact CG-CG2 4.35Å; L792-W849 HydrophobicContact CB-CZ3 4.19Å; L792-R861 VanDerWaalsContact O-CA 3.27Å; L792-R861 WeakPolarHBondContact O-CA 3.24Å; L792-V862 HydrophobicContact CB-CG1 3.88Å; L792-V862 HydrophobicContact CD1-CG1 4.31Å; L792-V862 HydrophobicContact CG-CG1 4.43Å; L792-V862 PolarHBondContact N-O 3.22Å; L792-V862 PolarHBondContact O-N 2.79Å; L792-I864 HydrophobicContact CD1-CD1 3.82Å; L792-I864 HydrophobicContact CD1-CG1 4.29Å; L792-I864 HydrophobicContact CD1-CG2 4.22Å; L792-I864 HydrophobicContact CD2-CD1 4.31Å; L792-I864 HydrophobicContact CG-CD1 4.11Å; L792-I864 HydrophobicContact CG-CG1 4.22Å |
| 793 | R | 93 | Very high | 73.5 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 33% | 0.328 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.8 | 174.6 | -71 | -169 | 178.5 | 154.1 | 6 | 111 | E841 L842 S843 V844 R861 | R793-E841 VanDerWaalsContact CZ-CD 3.43Å; R793-E841 IonicContact CZ-OE1 2.83Å; R793-E841 IonicContact CZ-OE2 2.73Å; R793-E841 VanDerWaalsContact CZ-OE2 3.28Å; R793-E841 IonicContact NE-OE1 3.62Å; R793-E841 IonicContact NH1-OE1 3.11Å; R793-E841 PolarHBondContact NH1-OE1 3.23Å; R793-E841 IonicContact NH1-OE2 3.28Å; R793-E841 PolarHBondContact NH1-OE2 2.98Å; R793-E841 IonicContact NH2-OE1 2.86Å; R793-E841 PolarHBondContact NH2-OE1 2.86Å; R793-E841 IonicContact NH2-OE2 3.3Å; R793-L842 PolarHBondContact N-O 3.09Å; R793-S843 CarbonylContact O-C 3.53Å; R793-S843 VanDerWaalsContact O-CA 3.31Å; R793-S843 WeakPolarHBondContact O-CA 3.29Å; R793-V844 PolarHBondContact O-N 2.6Å; R793-R861 HydrophobicContact CG-CB 3.87Å |
| 794 | P | 91.1 | Very high | 70.2 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 148.3 | 172.8 | 26.4 | -30.1 | 0 | 0 | 0 | 111.4 | V844 W846 W849 G860 | P794-V844 CarbonylContact C-O 3.57Å; P794-V844 WeakPolarHBondContact CA-O 3.31Å; P794-W846 HydrophobicContact CB-CE3 3.58Å; P794-W846 HydrophobicContact CB-CZ3 3.61Å; P794-W846 HydrophobicContact CG-CE3 4.4Å; P794-W846 HydrophobicContact CG-CZ3 3.95Å; P794-W849 HydrophobicContact CB-CB 4.22Å; P794-W849 HydrophobicContact CB-CD2 3.83Å; P794-W849 HydrophobicContact CB-CE3 4.31Å; P794-W849 HydrophobicContact CB-CG 3.76Å; P794-W849 HydrophobicContact CG-CD2 4.06Å; P794-W849 HydrophobicContact CG-CG 4.31Å; P794-W849 HydrophobicContact CG-CZ2 4.36Å; P794-G860 VanDerWaalsContact CD-O 3.25Å; P794-G860 WeakPolarHBondContact CD-O 3.34Å |
| 795 | Y | 82 | Confident | 66.9 | Low | 78 Ų | 78 | 76.4 Ų | 76.4 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -77 | 137.4 | 169 | -172.8 | -95.7 | 0 | 0 | 0 | 110.6 | F828 H829 V844 | Y795-F828 HydrophobicContact CD1-CD2 4Å; Y795-F828 AromaticContact CD2-CD2 3.67Å; Y795-F828 HydrophobicContact CD2-CD2 3.67Å; Y795-F828 AromaticContact CD2-CE2 3.7Å; Y795-F828 HydrophobicContact CD2-CE2 3.7Å; Y795-F828 HydrophobicContact CE2-CD2 4.28Å; Y795-F828 AromaticContact CG-CD2 3.51Å; Y795-F828 HydrophobicContact CG-CD2 3.51Å; Y795-F828 AromaticContact CG-CE2 3.82Å; Y795-F828 HydrophobicContact CG-CE2 3.82Å; Y795-H829 HydrophobicContact CE2-CB 4.33Å; Y795-H829 VanDerWaalsContact CE2-O 3.23Å; Y795-H829 WeakPolarHBondContact CE2-O 3.36Å; Y795-V844 WeakPolarHBondContact CB-O 3.33Å; Y795-V844 PolarHBondContact N-O 3.4Å |
| 796 | G | 73.5 | Confident | 63.6 | Low | 49 Ų | 49 | 82.4 Ų | 82.4 | 51% | 0.505 | 45% | 0.453 | S | S | . | . | S | Bend | trans | 97.5 | 126.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 797 | N | 50.1 | Low | 60.7 | Low | 143 Ų | 143 | 88.1 Ų | 88.1 | 77% | 0.765 | 48% | 0.478 | S | S | * | . | trans | -78.2 | 121 | -175.5 | -81 | -20.1 | 0 | 0 | 0 | 111.9 | S799 | N797-S799 PolarHBondContact O-N 2.96Š| ||
| 798 | F | 42.9 | Very low | 57.5 | Low | 155 Ų | 155 | 96.5 Ų | 96.5 | 68% | 0.68 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 13.4 | 162.7 | -102.9 | -87.9 | 0 | 0 | 0 | 113.9 | W846 | F798-W846 HydrophobicContact CD2-CH2 4.01Å; F798-W846 HydrophobicContact CD2-CZ3 4.06Å; F798-W846 AromaticContact CE2-CH2 3.27Å; F798-W846 HydrophobicContact CE2-CH2 3.27Å; F798-W846 AromaticContact CE2-CZ2 3.89Å; F798-W846 HydrophobicContact CE2-CZ2 3.89Å; F798-W846 AromaticContact CE2-CZ3 3.69Å; F798-W846 HydrophobicContact CE2-CZ3 3.69Å; F798-W846 HydrophobicContact CZ-CH2 4.1Å; F798-W846 HydrophobicContact CZ-CZ2 4.42Å |
| 799 | S | 36.7 | Very low | 54.3 | Low | 87 Ų | 87 | 104 Ų | 104 | 61% | 0.608 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -2.9 | -172.6 | 80.9 | 0 | 0 | 0 | 0 | 117 | N797 | N797-S799 PolarHBondContact O-N 2.96Š|
| 800 | N | 29.4 | Very low | 51.3 | Low | 148 Ų | 148 | 106.7 Ų | 106.7 | 79% | 0.791 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -127.7 | 10.4 | -174.3 | -85 | 14.7 | 0 | 0 | 0 | 116.7 | ||
| 801 | S | 29.5 | Very low | 48 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 67% | 0.671 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -112.4 | 7.9 | 176.9 | 64.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 802 | V | 30.2 | Very low | 45 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 71% | 0.709 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -108.4 | 6.8 | 178.1 | -170.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 803 | I | 26.9 | Very low | 41.8 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 80% | 0.795 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -125.8 | 64.3 | 169 | -45.2 | 178.5 | 0 | 0 | 0 | 109.2 | ||
| 804 | D | 26.5 | Very low | 38.8 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 83% | 0.829 | 70% | 0.703 | S | S | * | * | trans | -140.1 | 55.6 | 151.1 | -103.9 | -21.5 | 0 | 0 | 0 | 108.4 | N806 | D804-N806 VanDerWaalsContact C-N 3.34Š| ||
| 805 | T | 28.5 | Very low | 35.8 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | -94.2 | 70.9 | 156.2 | 51.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 806 | N | 27.9 | Very low | 33.2 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | trans | -162.8 | 44.6 | 170.7 | -100.1 | -18.9 | 0 | 0 | 0 | 116.1 | D804 | D804-N806 VanDerWaalsContact C-N 3.34Š| ||
| 807 | E | 32 | Very low | 31.1 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -139.8 | 88.4 | 154.5 | -70.5 | -166.9 | 159.9 | 0 | 0 | 108 | ||||
| 808 | R | 26.9 | Very low | 30 | Very low | 219 Ų | 219 | 140 Ų | 140 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | 52.5 | 103.2 | 89 | -72.6 | -171 | -176.7 | -177.8 | 2.1 | 114.8 | |||||
| 809 | N | 28.3 | Very low | 29.2 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 56.4 | 93.9 | 141.9 | -58.6 | -7.5 | 0 | 0 | 0 | 118.1 | ||||
| 810 | S | 32.5 | Very low | 28.8 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -145.4 | 123 | 129.7 | 42.8 | 0 | 0 | 0 | 0 | 108.9 | D812 | S810-D812 PolarHBondContact O-N 2.88Š| |||
| 811 | E | 28 | Very low | 28.8 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -63.1 | 110.1 | 163.3 | -64.9 | 171.8 | 154.9 | 0 | 0 | 106.7 | ||||
| 812 | D | 32.4 | Very low | 28.7 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -163.7 | 119.3 | 151.4 | -97.5 | -32.7 | 0 | 0 | 0 | 111.2 | S810 | S810-D812 PolarHBondContact O-N 2.88Š| ||
| 813 | T | 29.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | 9.4 | 138.6 | 152.4 | -5.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 814 | D | 29.7 | Very low | 29.4 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | trans | 77.3 | 100.4 | 155.3 | -66.4 | -20.7 | 0 | 0 | 0 | 120.2 | N816 | D814-N816 PolarHBondContact O-N 3.16Š| ||
| 815 | S | 29 | Very low | 30.1 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 30.3 | 66 | 134.7 | 65.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 816 | N | 27.1 | Very low | 31.2 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -102.4 | 92.2 | 158.7 | -81 | -34.6 | 0 | 0 | 0 | 109.1 | D814 | D814-N816 PolarHBondContact O-N 3.16Š| ||
| 817 | V | 28.7 | Very low | 32.9 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | -54.4 | 124.5 | 155.4 | 175.6 | 0 | 0 | 0 | 0 | 106.3 | T819 | V817-T819 VanDerWaalsContact C-N 3.3Å; V817-T819 PolarHBondContact O-N 2.95Å | ||
| 818 | P | 27.7 | Very low | 35 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | -71.1 | 90.9 | -178.9 | 27.2 | -30.8 | 0 | 0 | 0 | 108.8 | S820 | P818-S820 PolarHBondContact O-N 3.01Š| ||
| 819 | T | 25.2 | Very low | 37.5 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | trans | -65.9 | 89.9 | 160.7 | 40.8 | 0 | 0 | 0 | 0 | 107.5 | V817 N821 | V817-T819 VanDerWaalsContact C-N 3.3Å; V817-T819 PolarHBondContact O-N 2.95Å; T819-N821 PolarHBondContact O-N 3.07Å | ||
| 820 | S | 30.1 | Very low | 40.2 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | trans | -68.5 | 67.8 | 167.1 | 62.1 | 0 | 0 | 0 | 0 | 109.9 | P818 R822 | P818-S820 PolarHBondContact O-N 3.01Å; S820-R822 PolarHBondContact O-N 2.69Å | ||
| 821 | N | 28 | Very low | 42.9 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 69% | 0.69 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 30.1 | 176.3 | -91.9 | 13.8 | 0 | 0 | 0 | 112.7 | T819 | T819-N821 PolarHBondContact O-N 3.07Š|
| 822 | R | 29 | Very low | 46 | Very low | 235 Ų | 235 | 111.3 Ų | 111.3 | 89% | 0.887 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 5.6 | 179.7 | -87.4 | -167.3 | 177.8 | -171.5 | 1.1 | 115.6 | S820 | S820-R822 PolarHBondContact O-N 2.69Š|
| 823 | C | 34 | Very low | 48.9 | Very low | 111 Ų | 111 | 110 Ų | 110 | 75% | 0.75 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -102.3 | -1.4 | -178.2 | -69.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 824 | D | 36.8 | Very low | 52.1 | Low | 122 Ų | 122 | 104.9 Ų | 104.9 | 65% | 0.652 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -88.5 | -7.4 | -170.7 | -72 | -35.1 | 0 | 0 | 0 | 115.7 | ||
| 825 | A | 41.1 | Very low | 55 | Low | 98 Ų | 98 | 100.9 Ų | 100.9 | 81% | 0.81 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -119.3 | -6.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | E827 | A825-E827 PolarHBondContact O-N 2.81Š|
| 826 | E | 51.3 | Low | 57.8 | Low | 162 Ų | 162 | 100 Ų | 100 | 76% | 0.757 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -79.7 | 117.3 | 175.5 | -71.4 | -173.6 | 176.3 | 0 | 0 | 110.2 | F828 | E826-F828 PolarHBondContact O-N 2.53Š|
| 827 | E | 64.2 | Low | 60.6 | Low | 121 Ų | 121 | 93.7 Ų | 93.7 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 120.2 | 178.4 | -167.4 | 174 | -169.4 | 0 | 0 | 109.8 | A825 H829 | A825-E827 PolarHBondContact O-N 2.81Å; E827-H829 PolarHBondContact O-CD2 2.96Å; E827-H829 PolarHBondContact O-N 3.46Å |
| 828 | F | 75.4 | Confident | 63.6 | Low | 29 Ų | 29 | 89.9 Ų | 89.9 | 13% | 0.127 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 120.9 | 178.4 | 164.5 | -105.1 | 0 | 0 | 0 | 110.3 | S322 Y795 E826 L830 P845 | S322-F828 VanDerWaalsContact CB-O 3.25Å; S322-F828 WeakPolarHBondContact CB-O 3.39Å; S322-F828 WeakPolarHBondContact OG-CD1 3.45Å; Y795-F828 HydrophobicContact CD1-CD2 4Å; Y795-F828 AromaticContact CD2-CD2 3.67Å; Y795-F828 HydrophobicContact CD2-CD2 3.67Å; Y795-F828 AromaticContact CD2-CE2 3.7Å; Y795-F828 HydrophobicContact CD2-CE2 3.7Å; Y795-F828 HydrophobicContact CE2-CD2 4.28Å; Y795-F828 AromaticContact CG-CD2 3.51Å; Y795-F828 HydrophobicContact CG-CD2 3.51Å; Y795-F828 AromaticContact CG-CE2 3.82Å; Y795-F828 HydrophobicContact CG-CE2 3.82Å; E826-F828 PolarHBondContact O-N 2.53Å; F828-L830 HydrophobicContact CE1-CB 4.44Å; F828-L830 HydrophobicContact CE1-CD1 4.31Å; F828-L830 HydrophobicContact CZ-CD1 4.09Å; F828-P845 HydrophobicContact CD1-CB 4.44Å; F828-P845 HydrophobicContact CD1-CG 3.64Å; F828-P845 HydrophobicContact CD2-CB 4.33Å; F828-P845 HydrophobicContact CD2-CG 4.15Å; F828-P845 HydrophobicContact CE1-CG 3.65Å; F828-P845 HydrophobicContact CE2-CG 4.15Å; F828-P845 HydrophobicContact CG-CB 4.23Å; F828-P845 HydrophobicContact CG-CG 3.91Å; F828-P845 HydrophobicContact CZ-CG 3.9Å |
| 829 | H | 79.5 | Confident | 66.7 | Low | 108 Ų | 108 | 85.9 Ų | 85.9 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 126.3 | 172 | -65.3 | -63.6 | 0 | 0 | 0 | 110.7 | Y795 E827 G831 | Y795-H829 HydrophobicContact CE2-CB 4.33Å; Y795-H829 VanDerWaalsContact CE2-O 3.23Å; Y795-H829 WeakPolarHBondContact CE2-O 3.36Å; E827-H829 PolarHBondContact O-CD2 2.96Å; E827-H829 PolarHBondContact O-N 3.46Å; H829-G831 PolarHBondContact O-N 2.92Å |
| 830 | L | 85.3 | Confident | 70.1 | Confident | 29 Ų | 29 | 80.6 Ų | 80.6 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | trans | -64.3 | 106.3 | 177.2 | -175.4 | 65.9 | 0 | 0 | 0 | 111 | V323 L353 F828 L842 | V323-L830 HydrophobicContact CB-CD2 4.48Å; V323-L830 HydrophobicContact CG1-CD2 4.2Å; V323-L830 HydrophobicContact CG2-CD2 4.24Å; L353-L830 HydrophobicContact CD1-CD2 3.97Å; L353-L830 HydrophobicContact CD2-CD2 3.74Å; L353-L830 HydrophobicContact CD2-CG 4.46Å; L353-L830 HydrophobicContact CG-CD2 3.81Å; F828-L830 HydrophobicContact CE1-CB 4.44Å; F828-L830 HydrophobicContact CE1-CD1 4.31Å; F828-L830 HydrophobicContact CZ-CD1 4.09Å; L830-L842 HydrophobicContact CD1-CD1 3.89Å | ||
| 831 | G | 88.7 | Confident | 73.3 | Confident | 31 Ų | 31 | 77.4 Ų | 77.4 | 32% | 0.32 | 40% | 0.395 | S | S | . | . | trans | -96.4 | 138.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | H829 S843 | H829-G831 PolarHBondContact O-N 2.92Å; G831-S843 WeakPolarHBondContact CA-OG 3.28Å; G831-S843 PolarHBondContact N-OG 2.99Å; G831-S843 WeakPolarHBondContact O-CB 3.26Å; G831-S843 PolarHBondContact O-N 3.34Å; G831-S843 PolarHBondContact O-OG 3.32Å | ||
| 832 | F | 93.7 | Very high | 76.5 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.7 | 171.6 | 63.6 | -85.2 | 0 | 0 | 0 | 109.9 | L353 A356 F357 E360 E841 L842 | L353-F832 HydrophobicContact CD2-CD1 3.27Å; L353-F832 HydrophobicContact CD2-CE1 3.32Å; L353-F832 HydrophobicContact CD2-CG 4.12Å; L353-F832 HydrophobicContact CD2-CZ 4.19Å; A356-F832 VanDerWaalsContact C-CZ 3.44Å; A356-F832 HydrophobicContact CB-CE1 4Å; A356-F832 HydrophobicContact CB-CZ 3.69Å; A356-F832 WeakPolarHBondContact O-CZ 3.22Å; F357-F832 HydrophobicContact CB-CE2 4.05Å; F357-F832 HydrophobicContact CB-CZ 4.29Å; F357-F832 AromaticContact CD2-CD2 3.82Å; F357-F832 HydrophobicContact CD2-CD2 3.82Å; F357-F832 HydrophobicContact CD2-CE2 4.03Å; F357-F832 HydrophobicContact CG-CE2 4.49Å; E360-F832 HydrophobicContact CB-CE2 3.96Å; E360-F832 HydrophobicContact CG-CE2 3.76Å; E360-F832 HydrophobicContact CG-CZ 4.32Å; F832-E841 CarbonylContact C-O 3.59Å; F832-E841 WeakPolarHBondContact CA-O 3.28Å; F832-L842 HydrophobicContact CB-CD1 4.04Å |
| 833 | K | 93.8 | Very high | 79.5 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 53% | 0.53 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 126.1 | 175.4 | -178 | 177.2 | -178.8 | 175 | 0 | 110 | T835 C840 E841 | K833-T835 HydrophobicContact CD-CG2 4.41Å; K833-T835 HydrophobicContact CG-CG2 4.3Å; K833-T835 PolarHBondContact O-N 3.09Å; K833-C840 CarbonylContact O-C 3.6Å; K833-C840 VanDerWaalsContact O-CA 3.28Å; K833-C840 WeakPolarHBondContact O-CA 3.19Å; K833-C840 WeakPolarHBondContact O-CB 3.31Å; K833-E841 HydrophobicContact CB-CB 4.35Å; K833-E841 PolarHBondContact N-O 2.97Å; K833-E841 PolarHBondContact O-N 3.29Å |
| 834 | V | 95.2 | Very high | 82.2 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 112 | 169.1 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | F357 E360 T364 R836 | F357-V834 HydrophobicContact CD2-CG2 4.27Å; F357-V834 HydrophobicContact CE2-CG2 3.68Å; F357-V834 HydrophobicContact CZ-CG2 4.11Å; E360-V834 HydrophobicContact CB-CG2 4.11Å; T364-V834 HydrophobicContact CG2-CG1 3.99Å; V834-R836 WeakPolarHBondContact CG1-O 3.19Å |
| 835 | T | 90.8 | Very high | 84.5 | Confident | 47 Ų | 47 | 51 Ų | 51 | 29% | 0.288 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -33.5 | -179 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | K833 E839 E841 | K833-T835 HydrophobicContact CD-CG2 4.41Å; K833-T835 HydrophobicContact CG-CG2 4.3Å; K833-T835 PolarHBondContact O-N 3.09Å; T835-E839 PolarHBondContact N-O 2.87Å; T835-E839 WeakPolarHBondContact OG1-CB 3.38Å; T835-E839 PolarHBondContact OG1-O 3.19Å; T835-E841 HydrophobicContact CG2-CB 4.5Å; T835-E841 HydrophobicContact CG2-CG 3.69Å |
| 836 | R | 87.8 | Confident | 86.6 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 164.2 | 172.9 | -60 | -175.9 | 176.7 | -161 | -4.6 | 108.2 | V834 N838 E839 | V834-R836 WeakPolarHBondContact CG1-O 3.19Å; R836-N838 PolarHBondContact O-N 3.35Å; R836-E839 HydrophobicContact CB-CB 4.08Å; R836-E839 HydrophobicContact CB-CG 4.38Å; R836-E839 PolarHBondContact N-O 3.23Å; R836-E839 CarbonylContact O-C 3.46Å; R836-E839 PolarHBondContact O-N 3.45Å |
| 837 | L | 87.4 | Confident | 88 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.2 | 177.6 | -68 | 178.6 | 0 | 0 | 0 | 113.9 | Y361 T364 L365 Y526 Y788 | Y361-L837 HydrophobicContact CE2-CD2 4.22Å; T364-L837 HydrophobicContact CG2-CD2 4.47Å; L365-L837 HydrophobicContact CB-CD2 3.9Å; L365-L837 HydrophobicContact CD1-CD1 3.74Å; L365-L837 HydrophobicContact CD1-CD2 3.93Å; Y526-L837 HydrophobicContact CE1-CD1 4.49Å; Y788-L837 VanDerWaalsContact CE2-O 3.27Å; Y788-L837 WeakPolarHBondContact CE2-O 3.37Å |
| 838 | N | 90.6 | Very high | 89 | Confident | 39 Ų | 39 | 43 Ų | 43 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 8.1 | 175.7 | 65.3 | -18.6 | 0 | 0 | 0 | 114.3 | Y788 R789 R836 | Y788-N838 WeakPolarHBondContact CA-O 3.41Å; Y788-N838 HydrophobicContact CD2-CB 4.43Å; Y788-N838 WeakPolarHBondContact CD2-O 3.5Å; Y788-N838 VanDerWaalsContact CE2-C 3.46Å; R789-N838 PolarHBondContact N-O 3.47Å; R836-N838 PolarHBondContact O-N 3.35Å |
| 839 | E | 93.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 41.7 Ų | 41.7 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 126.3 | -178.7 | -56.2 | -169.9 | -164.1 | 0 | 0 | 112.4 | R789 T835 R836 R863 | R789-E839 HydrophobicContact CB-CG 4.21Å; R789-E839 WeakPolarHBondContact O-CA 3.37Å; T835-E839 PolarHBondContact N-O 2.87Å; T835-E839 WeakPolarHBondContact OG1-CB 3.38Å; T835-E839 PolarHBondContact OG1-O 3.19Å; R836-E839 HydrophobicContact CB-CB 4.08Å; R836-E839 HydrophobicContact CB-CG 4.38Å; R836-E839 PolarHBondContact N-O 3.23Å; R836-E839 CarbonylContact O-C 3.46Å; R836-E839 PolarHBondContact O-N 3.45Å; E839-R863 IonicContact OE2-CZ 3.35Å; E839-R863 IonicContact OE2-NH2 3.9Å; E839-R863 PolarHBondContact OE2-NH2 3.07Å |
| 840 | C | 96.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 160.8 | 169.4 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | Y788 R789 T791 K833 | Y788-C840 HydrophobicContact CE1-CB 4.2Å; Y788-C840 WeakPolarHBondContact OH-CB 3.24Å; R789-C840 PolarHBondContact O-N 3.37Å; R789-C840 VanDerWaalsContact O-N 3.14Å; T791-C840 PolarHBondContact N-O 3.12Å; K833-C840 CarbonylContact O-C 3.6Å; K833-C840 VanDerWaalsContact O-CA 3.28Å; K833-C840 WeakPolarHBondContact O-CA 3.19Å; K833-C840 WeakPolarHBondContact O-CB 3.31Å |
| 841 | E | 95.9 | Very high | 90.4 | Very high | 37 Ų | 37 | 43 Ų | 43 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.1 | 167.4 | -65.6 | -176.4 | 166.1 | 0 | 0 | 109 | T791 R793 F832 K833 T835 | T791-E841 HydrophobicContact CG2-CG 4.45Å; T791-E841 CarbonylContact O-C 3.51Å; T791-E841 VanDerWaalsContact O-CA 3.25Å; T791-E841 WeakPolarHBondContact O-CA 3.48Å; R793-E841 VanDerWaalsContact CZ-CD 3.43Å; R793-E841 IonicContact CZ-OE1 2.83Å; R793-E841 IonicContact CZ-OE2 2.73Å; R793-E841 VanDerWaalsContact CZ-OE2 3.28Å; R793-E841 IonicContact NE-OE1 3.62Å; R793-E841 IonicContact NH1-OE1 3.11Å; R793-E841 PolarHBondContact NH1-OE1 3.23Å; R793-E841 IonicContact NH1-OE2 3.28Å; R793-E841 PolarHBondContact NH1-OE2 2.98Å; R793-E841 IonicContact NH2-OE1 2.86Å; R793-E841 PolarHBondContact NH2-OE1 2.86Å; R793-E841 IonicContact NH2-OE2 3.3Å; F832-E841 CarbonylContact C-O 3.59Å; F832-E841 WeakPolarHBondContact CA-O 3.28Å; K833-E841 HydrophobicContact CB-CB 4.35Å; K833-E841 PolarHBondContact N-O 2.97Å; K833-E841 PolarHBondContact O-N 3.29Å; T835-E841 HydrophobicContact CG2-CB 4.5Å; T835-E841 HydrophobicContact CG2-CG 3.69Å |
| 842 | L | 95.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.8 | 178 | -173.1 | 68.5 | 0 | 0 | 0 | 109.2 | L734 L737 I741 V790 T791 L792 R793 L830 F832 | L734-L842 HydrophobicContact CD2-CD2 4.42Å; L737-L842 HydrophobicContact CB-CD2 4.3Å; I741-L842 HydrophobicContact CD1-CD2 3.98Å; V790-L842 HydrophobicContact CG1-CB 4.12Å; T791-L842 PolarHBondContact O-N 3.04Å; L792-L842 WeakPolarHBondContact CA-O 3.36Å; L792-L842 HydrophobicContact CD2-CB 3.97Å; L792-L842 HydrophobicContact CD2-CD2 4.11Å; L792-L842 HydrophobicContact CD2-CG 4.47Å; R793-L842 PolarHBondContact N-O 3.09Å; L830-L842 HydrophobicContact CD1-CD1 3.89Å; F832-L842 HydrophobicContact CB-CD1 4.04Å |
| 843 | S | 92.4 | Very high | 90.7 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 143.2 | 175.5 | 68 | 0 | 0 | 0 | 0 | 111.1 | R793 G831 | R793-S843 CarbonylContact O-C 3.53Å; R793-S843 VanDerWaalsContact O-CA 3.31Å; R793-S843 WeakPolarHBondContact O-CA 3.29Å; G831-S843 WeakPolarHBondContact CA-OG 3.28Å; G831-S843 PolarHBondContact N-OG 2.99Å; G831-S843 WeakPolarHBondContact O-CB 3.26Å; G831-S843 PolarHBondContact O-N 3.34Å; G831-S843 PolarHBondContact O-OG 3.32Å |
| 844 | V | 90.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.7 | 179.7 | 178 | 0 | 0 | 0 | 0 | 108.8 | I741 W749 L792 R793 P794 Y795 W846 W849 | I741-V844 HydrophobicContact CG2-CB 4.36Å; I741-V844 HydrophobicContact CG2-CG1 3.55Å; I741-V844 HydrophobicContact CG2-CG2 3.91Å; W749-V844 HydrophobicContact CH2-CG1 4.17Å; W749-V844 HydrophobicContact CH2-CG2 4.43Å; W749-V844 HydrophobicContact CZ2-CG1 4.14Å; L792-V844 HydrophobicContact CB-CG2 3.89Å; L792-V844 HydrophobicContact CD1-CG2 4.4Å; L792-V844 HydrophobicContact CD2-CG2 4.12Å; L792-V844 HydrophobicContact CG-CG2 4.35Å; R793-V844 PolarHBondContact O-N 2.6Å; P794-V844 CarbonylContact C-O 3.57Å; P794-V844 WeakPolarHBondContact CA-O 3.31Å; Y795-V844 WeakPolarHBondContact CB-O 3.33Å; Y795-V844 PolarHBondContact N-O 3.4Å; V844-W846 PolarHBondContact O-N 3.4Å; V844-W849 HydrophobicContact CB-CE3 4.2Å; V844-W849 HydrophobicContact CG1-CE3 4.35Å |
| 845 | P | 86.6 | Confident | 90.4 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 13% | 0.13 | 22% | 0.216 | C | C | . | . | trans | -54.5 | 138.8 | 174 | -22.7 | 30.8 | 0 | 0 | 0 | 112 | P742 F828 K847 S848 W849 | P742-P845 HydrophobicContact CG-CG 4.07Å; F828-P845 HydrophobicContact CD1-CB 4.44Å; F828-P845 HydrophobicContact CD1-CG 3.64Å; F828-P845 HydrophobicContact CD2-CB 4.33Å; F828-P845 HydrophobicContact CD2-CG 4.15Å; F828-P845 HydrophobicContact CE1-CG 3.65Å; F828-P845 HydrophobicContact CE2-CG 4.15Å; F828-P845 HydrophobicContact CG-CB 4.23Å; F828-P845 HydrophobicContact CG-CG 3.91Å; F828-P845 HydrophobicContact CZ-CG 3.9Å; P845-K847 VanDerWaalsContact C-N 3.26Å; P845-K847 PolarHBondContact O-N 3.31Å; P845-S848 PolarHBondContact O-N 3.15Å; P845-W849 PolarHBondContact O-N 2.86Å; P845-W849 VanDerWaalsContact O-N 3.07Å | ||
| 846 | W | 85.2 | Confident | 90.5 | Very high | 107 Ų | 107 | 41.9 Ų | 41.9 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57 | -41.2 | 179.4 | -172.6 | -96.9 | 0 | 0 | 0 | 112.2 | P794 F798 V844 S848 W849 V850 | P794-W846 HydrophobicContact CB-CE3 3.58Å; P794-W846 HydrophobicContact CB-CZ3 3.61Å; P794-W846 HydrophobicContact CG-CE3 4.4Å; P794-W846 HydrophobicContact CG-CZ3 3.95Å; F798-W846 HydrophobicContact CD2-CH2 4.01Å; F798-W846 HydrophobicContact CD2-CZ3 4.06Å; F798-W846 AromaticContact CE2-CH2 3.27Å; F798-W846 HydrophobicContact CE2-CH2 3.27Å; F798-W846 AromaticContact CE2-CZ2 3.89Å; F798-W846 HydrophobicContact CE2-CZ2 3.89Å; F798-W846 AromaticContact CE2-CZ3 3.69Å; F798-W846 HydrophobicContact CE2-CZ3 3.69Å; F798-W846 HydrophobicContact CZ-CH2 4.1Å; F798-W846 HydrophobicContact CZ-CZ2 4.42Å; V844-W846 PolarHBondContact O-N 3.4Å; W846-S848 PolarHBondContact O-N 3.48Å; W846-S848 VanDerWaalsContact O-N 3.1Å; W846-W849 WeakPolarHBondContact O-CB 3.16Å; W846-W849 PolarHBondContact O-N 3.14Å; W846-V850 PolarHBondContact O-N 3.11Å |
| 847 | K | 79.7 | Confident | 90.7 | Very high | 99 Ų | 99 | 40.7 Ų | 40.7 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -55.9 | -26.2 | 176.4 | -66.4 | -172.6 | 177 | -175.1 | 0 | 113.7 | D314 P845 V850 H851 | D314-K847 IonicContact OD2-NZ 3.99Å; P845-K847 VanDerWaalsContact C-N 3.26Å; P845-K847 PolarHBondContact O-N 3.31Å; K847-V850 WeakPolarHBondContact O-CG2 3.43Å; K847-H851 PolarHBondContact O-CD2 3.36Å |
| 848 | S | 86.2 | Confident | 90.9 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -94.7 | -30 | 177.2 | -48.7 | 0 | 0 | 0 | 0 | 111.9 | P742 W749 P845 W846 V850 H851 | P742-S848 WeakPolarHBondContact CA-OG 3.23Å; P742-S848 PolarHBondContact O-OG 3.33Å; P742-S848 VanDerWaalsContact O-OG 3.07Å; W749-S848 PolarHBondContact NE1-O 3.07Å; P845-S848 PolarHBondContact O-N 3.15Å; W846-S848 PolarHBondContact O-N 3.48Å; W846-S848 VanDerWaalsContact O-N 3.1Å; S848-V850 VanDerWaalsContact C-N 3.3Å; S848-V850 PolarHBondContact O-N 3.35Å; S848-H851 PolarHBondContact O-N 3.04Å |
| 849 | W | 89.6 | Confident | 91 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.011 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 177.4 | -169.8 | -96.3 | 0 | 0 | 0 | 112.9 | W749 L792 P794 V844 P845 W846 H851 A852 I856 V862 | W749-W849 HydrophobicContact CH2-CE3 4.02Å; W749-W849 HydrophobicContact CH2-CZ3 4.12Å; W749-W849 HydrophobicContact CZ3-CZ3 4.41Å; L792-W849 HydrophobicContact CB-CZ3 4.19Å; P794-W849 HydrophobicContact CB-CB 4.22Å; P794-W849 HydrophobicContact CB-CD2 3.83Å; P794-W849 HydrophobicContact CB-CE3 4.31Å; P794-W849 HydrophobicContact CB-CG 3.76Å; P794-W849 HydrophobicContact CG-CD2 4.06Å; P794-W849 HydrophobicContact CG-CG 4.31Å; P794-W849 HydrophobicContact CG-CZ2 4.36Å; V844-W849 HydrophobicContact CB-CE3 4.2Å; V844-W849 HydrophobicContact CG1-CE3 4.35Å; P845-W849 PolarHBondContact O-N 2.86Å; P845-W849 VanDerWaalsContact O-N 3.07Å; W846-W849 WeakPolarHBondContact O-CB 3.16Å; W846-W849 PolarHBondContact O-N 3.14Å; W849-H851 PolarHBondContact O-N 3.27Å; W849-H851 VanDerWaalsContact O-N 3.16Å; W849-A852 VanDerWaalsContact O-CB 3.28Å; W849-A852 WeakPolarHBondContact O-CB 3.44Å; W849-A852 PolarHBondContact O-N 2.89Å; W849-I856 HydrophobicContact CH2-CG2 3.86Å; W849-I856 HydrophobicContact CZ2-CG2 3.84Å; W849-V862 HydrophobicContact CH2-CG1 4.15Å; W849-V862 HydrophobicContact CZ3-CG1 4.29Å |
| 850 | V | 89.8 | Confident | 90.9 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 38% | 0.382 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.4 | 178 | -64.8 | 0 | 0 | 0 | 0 | 113.8 | W846 K847 S848 Q857 | W846-V850 PolarHBondContact O-N 3.11Å; K847-V850 WeakPolarHBondContact O-CG2 3.43Å; S848-V850 VanDerWaalsContact C-N 3.3Å; S848-V850 PolarHBondContact O-N 3.35Å; V850-Q857 PolarHBondContact O-NE2 2.85Å |
| 851 | H | 90.3 | Very high | 90.8 | Very high | 101 Ų | 101 | 57.7 Ų | 57.7 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -12.5 | 175.4 | -62.3 | -55.8 | 0 | 0 | 0 | 113.4 | R746 K847 S848 W849 | R746-H851 WeakPolarHBondContact CA-O 3.47Å; K847-H851 PolarHBondContact O-CD2 3.36Å; S848-H851 PolarHBondContact O-N 3.04Å; W849-H851 PolarHBondContact O-N 3.27Å; W849-H851 VanDerWaalsContact O-N 3.16Å |
| 852 | A | 93.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -66 | 152.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | W749 W849 I856 Q857 | W749-A852 HydrophobicContact CB-CB 4.49Å; W749-A852 HydrophobicContact CD2-CB 3.71Å; W749-A852 HydrophobicContact CE3-CB 4.09Å; W749-A852 HydrophobicContact CG-CB 3.9Å; W749-A852 HydrophobicContact CZ2-CB 4.48Å; W849-A852 VanDerWaalsContact O-CB 3.28Å; W849-A852 WeakPolarHBondContact O-CB 3.44Å; W849-A852 PolarHBondContact O-N 2.89Å; A852-I856 HydrophobicContact CB-CB 4.22Å; A852-I856 HydrophobicContact CB-CG2 3.8Å; A852-Q857 HydrophobicContact CB-CG 4.24Å; A852-Q857 PolarHBondContact O-NE2 3.22Å |
| 853 | P | 94 | Very high | 90.7 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | trans | -50.8 | 145.5 | 171.1 | -30 | 34.8 | 0 | 0 | 0 | 113.4 | E750 E855 I856 Q857 | E750-P853 HydrophobicContact CG-CG 3.51Å; P853-E855 VanDerWaalsContact CB-OE2 3.31Å; P853-E855 WeakPolarHBondContact CB-OE2 3.39Å; P853-E855 PolarHBondContact O-N 3.1Å; P853-E855 VanDerWaalsContact O-N 3.11Å; P853-I856 HydrophobicContact CB-CD1 4.42Å; P853-I856 HydrophobicContact CG-CD1 4.14Å; P853-I856 WeakPolarHBondContact O-CA 3.29Å; P853-I856 WeakPolarHBondContact O-CB 3.31Å; P853-I856 PolarHBondContact O-N 3.15Å; P853-Q857 PolarHBondContact O-N 3.38Å | ||
| 854 | S | 92.6 | Very high | 90.9 | Very high | 78 Ų | 78 | 62.7 Ų | 62.7 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.3 | -30.6 | -176.6 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | I856 Q857 A858 | S854-I856 VanDerWaalsContact C-N 3.33Å; S854-I856 PolarHBondContact O-N 3.23Å; S854-Q857 PolarHBondContact O-N 3.47Å; S854-A858 VanDerWaalsContact O-CB 3.29Å; S854-A858 WeakPolarHBondContact O-CB 3.48Å; S854-A858 PolarHBondContact O-N 3.39Å |
| 855 | E | 91.4 | Very high | 91.1 | Very high | 123 Ų | 123 | 69.7 Ų | 69.7 | 58% | 0.575 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.3 | -33.7 | 176 | -55.7 | 77.5 | -171.4 | 0 | 0 | 112.3 | P853 R859 | P853-E855 VanDerWaalsContact CB-OE2 3.31Å; P853-E855 WeakPolarHBondContact CB-OE2 3.39Å; P853-E855 PolarHBondContact O-N 3.1Å; P853-E855 VanDerWaalsContact O-N 3.11Å; E855-R859 WeakPolarHBondContact O-CD 3.49Å; E855-R859 VanDerWaalsContact O-CG 3.28Å; E855-R859 WeakPolarHBondContact O-CG 3.36Å; E855-R859 PolarHBondContact O-N 2.72Å |
| 856 | I | 92.5 | Very high | 91.6 | Very high | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.087 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.1 | -44.9 | 174.9 | -75 | 166.7 | 0 | 0 | 0 | 109.7 | A753 W849 A852 P853 S854 A858 R859 G860 V862 | A753-I856 HydrophobicContact CB-CD1 4.22Å; W849-I856 HydrophobicContact CH2-CG2 3.86Å; W849-I856 HydrophobicContact CZ2-CG2 3.84Å; A852-I856 HydrophobicContact CB-CB 4.22Å; A852-I856 HydrophobicContact CB-CG2 3.8Å; P853-I856 HydrophobicContact CB-CD1 4.42Å; P853-I856 HydrophobicContact CG-CD1 4.14Å; P853-I856 WeakPolarHBondContact O-CA 3.29Å; P853-I856 WeakPolarHBondContact O-CB 3.31Å; P853-I856 PolarHBondContact O-N 3.15Å; S854-I856 VanDerWaalsContact C-N 3.33Å; S854-I856 PolarHBondContact O-N 3.23Å; I856-A858 PolarHBondContact O-N 3.27Å; I856-R859 PolarHBondContact O-N 3.37Å; I856-G860 PolarHBondContact O-N 2.72Å; I856-V862 HydrophobicContact CD1-CB 4.35Å; I856-V862 HydrophobicContact CD1-CG2 3.93Å; I856-V862 HydrophobicContact CG1-CB 4.12Å; I856-V862 HydrophobicContact CG1-CG2 4.01Å; I856-V862 HydrophobicContact CG2-CB 3.77Å; I856-V862 HydrophobicContact CG2-CG1 3.88Å |
| 857 | Q | 92.7 | Very high | 92.2 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 178.3 | -63.9 | -172.1 | 37.2 | 0 | 0 | 111.5 | V850 A852 P853 S854 R859 G860 | V850-Q857 PolarHBondContact O-NE2 2.85Å; A852-Q857 HydrophobicContact CB-CG 4.24Å; A852-Q857 PolarHBondContact O-NE2 3.22Å; P853-Q857 PolarHBondContact O-N 3.38Å; S854-Q857 PolarHBondContact O-N 3.47Å; Q857-R859 PolarHBondContact O-N 3.29Å; Q857-G860 PolarHBondContact O-N 3.11Å |
| 858 | A | 91.6 | Very high | 93.1 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 74% | 0.744 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.1 | -30.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S854 I856 G860 | S854-A858 VanDerWaalsContact O-CB 3.29Å; S854-A858 WeakPolarHBondContact O-CB 3.48Å; S854-A858 PolarHBondContact O-N 3.39Å; I856-A858 PolarHBondContact O-N 3.27Å; A858-G860 VanDerWaalsContact C-N 3.32Å |
| 859 | R | 91.6 | Very high | 93.7 | Very high | 195 Ų | 195 | 59.5 Ų | 59.5 | 74% | 0.736 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -77 | -17.1 | 175.9 | -73.5 | 174.6 | -179.7 | -172.9 | 2.8 | 113.4 | E855 I856 Q857 R861 | E855-R859 WeakPolarHBondContact O-CD 3.49Å; E855-R859 VanDerWaalsContact O-CG 3.28Å; E855-R859 WeakPolarHBondContact O-CG 3.36Å; E855-R859 PolarHBondContact O-N 2.72Å; I856-R859 PolarHBondContact O-N 3.37Å; Q857-R859 PolarHBondContact O-N 3.29Å; R859-R861 PolarHBondContact O-N 3.48Å |
| 860 | G | 92 | Very high | 94.1 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 6.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | P794 I856 Q857 A858 | P794-G860 VanDerWaalsContact CD-O 3.25Å; P794-G860 WeakPolarHBondContact CD-O 3.34Å; I856-G860 PolarHBondContact O-N 2.72Å; Q857-G860 PolarHBondContact O-N 3.11Å; A858-G860 VanDerWaalsContact C-N 3.32Å |
| 861 | R | 93.4 | Very high | 94.5 | Very high | 136 Ų | 136 | 56.6 Ų | 56.6 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | trans | -162.2 | 151.5 | 177.7 | 67.7 | -176.9 | -175.4 | 179.1 | -0.7 | 111.1 | T791 L792 R793 R859 | T791-R861 HydrophobicContact CG2-CB 4.22Å; L792-R861 VanDerWaalsContact O-CA 3.27Å; L792-R861 WeakPolarHBondContact O-CA 3.24Å; R793-R861 HydrophobicContact CG-CB 3.87Å; R859-R861 PolarHBondContact O-N 3.48Å | ||
| 862 | V | 95 | Very high | 94.8 | Very high | 17 Ų | 17 | 51.8 Ų | 51.8 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.4 | 169.7 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | W749 T791 L792 W849 I856 I864 | W749-V862 HydrophobicContact CE3-CG1 4.37Å; W749-V862 HydrophobicContact CZ3-CG1 3.77Å; T791-V862 CarbonylContact C-O 3.32Å; T791-V862 WeakPolarHBondContact CA-O 3.42Å; L792-V862 HydrophobicContact CB-CG1 3.88Å; L792-V862 HydrophobicContact CD1-CG1 4.31Å; L792-V862 HydrophobicContact CG-CG1 4.43Å; L792-V862 PolarHBondContact N-O 3.22Å; L792-V862 PolarHBondContact O-N 2.79Å; W849-V862 HydrophobicContact CH2-CG1 4.15Å; W849-V862 HydrophobicContact CZ3-CG1 4.29Å; I856-V862 HydrophobicContact CD1-CB 4.35Å; I856-V862 HydrophobicContact CD1-CG2 3.93Å; I856-V862 HydrophobicContact CG1-CB 4.12Å; I856-V862 HydrophobicContact CG1-CG2 4.01Å; I856-V862 HydrophobicContact CG2-CB 3.77Å; I856-V862 HydrophobicContact CG2-CG1 3.88Å; V862-I864 HydrophobicContact CG1-CG2 4.47Å; V862-I864 HydrophobicContact CG2-CG2 4.31Å |
| 863 | R | 95.1 | Very high | 94.9 | Very high | 145 Ų | 145 | 51.6 Ų | 51.6 | 55% | 0.547 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117 | 175.2 | -177.6 | 179.7 | -73.1 | 171.4 | -16.4 | 108.9 | R789 V790 E839 | R789-R863 HydrophobicContact CB-CG 4.23Å; V790-R863 WeakPolarHBondContact O-CA 3.2Å; E839-R863 IonicContact OE2-CZ 3.35Å; E839-R863 IonicContact OE2-NH2 3.9Å; E839-R863 PolarHBondContact OE2-NH2 3.07Å |
| 864 | I | 95.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 159.2 | 178.1 | 62.4 | 164.5 | 0 | 0 | 0 | 111.1 | L737 W744 A752 V757 V790 L792 V862 | L737-I864 HydrophobicContact CD2-CD1 4.22Å; W744-I864 HydrophobicContact CH2-CD1 4.17Å; A752-I864 HydrophobicContact CB-CG2 4.41Å; V757-I864 HydrophobicContact CG2-CD1 3.92Å; V790-I864 HydrophobicContact CB-CD1 4.37Å; V790-I864 HydrophobicContact CB-CG1 3.93Å; V790-I864 HydrophobicContact CG1-CG1 4.5Å; V790-I864 PolarHBondContact N-O 3Å; V790-I864 WeakPolarHBondContact O-CG1 3.11Å; V790-I864 PolarHBondContact O-N 3.3Å; L792-I864 HydrophobicContact CD1-CD1 3.82Å; L792-I864 HydrophobicContact CD1-CG1 4.29Å; L792-I864 HydrophobicContact CD1-CG2 4.22Å; L792-I864 HydrophobicContact CD2-CD1 4.31Å; L792-I864 HydrophobicContact CG-CD1 4.11Å; L792-I864 HydrophobicContact CG-CG1 4.22Å; V862-I864 HydrophobicContact CG1-CG2 4.47Å; V862-I864 HydrophobicContact CG2-CG2 4.31Å |
| 865 | R | 96 | Very high | 94.7 | Very high | 147 Ų | 147 | 47.5 Ų | 47.5 | 56% | 0.555 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 152 | 172.7 | -59.7 | -173.8 | -179.1 | 144 | -0.3 | 109.5 | G756 V757 | G756-R865 CarbonylContact C-O 3.53Å; G756-R865 WeakPolarHBondContact CA-O 3.35Å; V757-R865 PolarHBondContact N-O 2.78Å |
| 866 | L | 97.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136 | 171.3 | -68.2 | 164.7 | 0 | 0 | 0 | 108.4 | V733 L737 V757 L785 V790 P868 L961 | V733-L866 HydrophobicContact CG1-CD1 3.63Å; V733-L866 HydrophobicContact CG1-CD2 3.78Å; V733-L866 HydrophobicContact CG1-CG 4.34Å; L737-L866 HydrophobicContact CD1-CD2 3.96Å; L737-L866 HydrophobicContact CD2-CD2 4.28Å; L737-L866 HydrophobicContact CG-CD2 4.32Å; V757-L866 HydrophobicContact CB-CD2 4.23Å; L785-L866 HydrophobicContact CD1-CD1 3.67Å; L785-L866 HydrophobicContact CD2-CB 3.97Å; L785-L866 HydrophobicContact CD2-CD1 4.03Å; L785-L866 HydrophobicContact CG-CB 3.88Å; L785-L866 HydrophobicContact CG-CD1 3.83Å; V790-L866 HydrophobicContact CG2-CD1 4.1Å; L866-P868 WeakPolarHBondContact O-CD 3.23Å; L866-L961 HydrophobicContact CD2-CD1 4.38Å |
| 867 | H | 97.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 92.2 | 176.1 | -164.7 | 108.4 | 0 | 0 | 0 | 108.6 | V757 A759 S901 Y905 R908 | V757-H867 PolarHBondContact O-N 2.99Å; A759-H867 PolarHBondContact N-O 2.94Å; H867-S901 PolarHBondContact NE2-O 3Å; H867-S901 PolarHBondContact NE2-OG 3.45Å; H867-Y905 HydrophobicContact CB-CD2 3.75Å; H867-Y905 HydrophobicContact CB-CE2 4.16Å; H867-Y905 AromaticContact CD2-CD2 3.9Å; H867-Y905 AromaticContact CG-CD2 3.56Å; H867-Y905 AromaticContact ND1-CD2 3.9Å; H867-R908 PolarHBondContact ND1-NH1 3.15Å |
| 868 | P | 98.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 139.7 | -177.7 | 29.4 | -35 | 0 | 0 | 0 | 112.4 | A759 F761 I782 L785 L786 L866 S901 | A759-P868 CarbonylContact O-C 3.47Å; A759-P868 WeakPolarHBondContact O-CA 3.29Å; F761-P868 HydrophobicContact CE2-CB 4.09Å; I782-P868 HydrophobicContact CG2-CB 3.6Å; I782-P868 VanDerWaalsContact O-CB 3.29Å; I782-P868 WeakPolarHBondContact O-CB 3.15Å; I782-P868 VanDerWaalsContact O-CG 3.27Å; I782-P868 WeakPolarHBondContact O-CG 3.25Å; L785-P868 HydrophobicContact CB-CB 4.34Å; L785-P868 HydrophobicContact CB-CG 4.15Å; L785-P868 HydrophobicContact CD2-CB 4.25Å; L786-P868 HydrophobicContact CD2-CG 4.07Å; L786-P868 HydrophobicContact CG-CG 3.73Å; L866-P868 WeakPolarHBondContact O-CD 3.23Å; P868-S901 PolarHBondContact O-OG 3.23Å |
| 869 | V | 98.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 126.4 | 169.7 | 172.1 | 0 | 0 | 0 | 0 | 108 | L758 A759 Q760 F761 F871 L902 | L758-V869 HydrophobicContact CD1-CB 4.36Å; L758-V869 HydrophobicContact CD1-CG2 3.59Å; A759-V869 PolarHBondContact O-N 2.92Å; Q760-V869 CarbonylContact C-O 3.47Å; Q760-V869 VanDerWaalsContact CA-O 3.29Å; Q760-V869 WeakPolarHBondContact CA-O 3.42Å; F761-V869 PolarHBondContact N-O 3.24Å; V869-F871 HydrophobicContact CG1-CD2 4.04Å; V869-F871 HydrophobicContact CG1-CE2 3.52Å; V869-F871 HydrophobicContact CG1-CZ 4.36Å; V869-L902 HydrophobicContact CG1-CB 3.93Å; V869-L902 HydrophobicContact CG1-CD1 4.28Å; V869-L902 HydrophobicContact CG1-CD2 4.48Å; V869-L902 HydrophobicContact CG1-CG 4.45Å; V869-L902 HydrophobicContact CG2-CB 3.99Å; V869-L902 HydrophobicContact CG2-CD1 4.02Å |
| 870 | S | 98.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.9 | -178.4 | 43.9 | 0 | 0 | 0 | 0 | 112.1 | F761 W778 G898 | F761-S870 WeakPolarHBondContact O-CA 3.38Å; W778-S870 VanDerWaalsContact CH2-CB 3.48Å; S870-G898 WeakPolarHBondContact O-CA 3.32Å |
| 871 | F | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.2 | 168 | -68 | -80.1 | 0 | 0 | 0 | 109.6 | F761 G763 V869 N895 L899 L902 I932 L936 V947 L948 A951 | F761-F871 PolarHBondContact O-N 3.36Å; G763-F871 PolarHBondContact N-O 3.18Å; V869-F871 HydrophobicContact CG1-CD2 4.04Å; V869-F871 HydrophobicContact CG1-CE2 3.52Å; V869-F871 HydrophobicContact CG1-CZ 4.36Å; F871-N895 VanDerWaalsContact CA-OD1 3.28Å; F871-N895 WeakPolarHBondContact CA-OD1 3.31Å; F871-N895 HydrophobicContact CD1-CB 4.14Å; F871-N895 WeakPolarHBondContact CE1-O 3.36Å; F871-L899 HydrophobicContact CE1-CB 4.3Å; F871-L899 HydrophobicContact CZ-CB 4.38Å; F871-L902 HydrophobicContact CE2-CD2 4.22Å; F871-L902 HydrophobicContact CZ-CD2 4.43Å; F871-I932 HydrophobicContact CE1-CG2 4.04Å; F871-I932 HydrophobicContact CZ-CG2 4.19Å; F871-L936 HydrophobicContact CE1-CD1 4.26Å; F871-V947 HydrophobicContact CB-CG1 4.18Å; F871-V947 HydrophobicContact CD1-CG1 3.42Å; F871-V947 VanDerWaalsContact CD1-CG1 3.42Å; F871-V947 HydrophobicContact CE1-CG1 3.9Å; F871-V947 HydrophobicContact CG-CG1 3.83Å; F871-L948 HydrophobicContact CB-CD2 3.72Å; F871-A951 HydrophobicContact CD2-CB 3.58Å; F871-A951 HydrophobicContact CE2-CB 3.7Å; F871-A951 HydrophobicContact CG-CB 4.5Å |
| 872 | V | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.4 | 178.6 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | G763 L765 I775 W778 Q891 V894 N895 | G763-V872 CarbonylContact O-C 3.59Å; G763-V872 VanDerWaalsContact O-CA 3.28Å; G763-V872 WeakPolarHBondContact O-CA 3.44Å; L765-V872 HydrophobicContact CB-CG2 4.37Å; I775-V872 HydrophobicContact CD1-CG2 4.13Å; I775-V872 HydrophobicContact CG1-CG2 4.21Å; I775-V872 HydrophobicContact CG2-CG1 4.48Å; W778-V872 HydrophobicContact CZ3-CB 4.37Å; V872-Q891 HydrophobicContact CG1-CB 3.84Å; V872-Q891 HydrophobicContact CG1-CG 3.86Å; V872-Q891 VanDerWaalsContact O-CG 3.31Å; V872-Q891 WeakPolarHBondContact O-CG 3.37Å; V872-V894 HydrophobicContact CG1-CB 4.03Å; V872-V894 HydrophobicContact CG1-CG1 3.98Å; V872-N895 PolarHBondContact N-OD1 3.07Å; V872-N895 PolarHBondContact O-ND2 2.99Å; V872-N895 PolarHBondContact O-OD1 2.73Å |
| 873 | V | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -138.6 | 114 | 171.1 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | G763 L764 I875 K943 P944 V945 L948 | G763-V873 PolarHBondContact O-N 3.21Å; L764-V873 WeakPolarHBondContact CA-O 3.48Å; V873-I875 HydrophobicContact CG1-CD1 3.97Å; V873-I875 WeakPolarHBondContact O-CG1 3.44Å; V873-I875 PolarHBondContact O-N 3.4Å; V873-I875 VanDerWaalsContact O-N 3.1Å; V873-K943 HydrophobicContact CG1-CB 4.02Å; V873-P944 HydrophobicContact CG2-CG 4.25Å; V873-V945 HydrophobicContact CG1-CG1 4.11Å; V873-L948 HydrophobicContact CB-CD1 3.99Å; V873-L948 HydrophobicContact CB-CG 4.28Å; V873-L948 HydrophobicContact CG2-CD1 4.18Å; V873-L948 HydrophobicContact CG2-CD2 3.95Å; V873-L948 HydrophobicContact CG2-CG 3.89Å | ||
| 874 | G | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -65.3 | 110 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | L765 N876 Q879 K943 | L765-G874 WeakPolarHBondContact O-CA 3.34Å; L765-G874 PolarHBondContact O-N 2.85Å; G874-N876 PolarHBondContact O-N 2.9Å; G874-Q879 WeakPolarHBondContact O-CB 3.38Å; G874-Q879 WeakPolarHBondContact O-CG 3.33Å; G874-K943 WeakPolarHBondContact O-CD 3.29Å; G874-K943 WeakPolarHBondContact O-CE 3.45Å; G874-K943 WeakPolarHBondContact O-CG 3.42Å | ||
| 875 | I | 89.4 | Confident | 91.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -97.1 | 63.9 | 175.8 | -48.4 | -56.3 | 0 | 0 | 0 | 109.8 | L764 V873 V945 R972 F1031 P1032 Y1035 | L764-I875 HydrophobicContact CB-CG1 4.35Å; L764-I875 HydrophobicContact CD2-CG1 3.74Å; L764-I875 PolarHBondContact O-N 2.81Å; V873-I875 HydrophobicContact CG1-CD1 3.97Å; V873-I875 WeakPolarHBondContact O-CG1 3.44Å; V873-I875 PolarHBondContact O-N 3.4Å; V873-I875 VanDerWaalsContact O-N 3.1Å; I875-V945 HydrophobicContact CD1-CG1 3.43Å; I875-V945 VanDerWaalsContact CD1-CG1 3.43Å; I875-R972 WeakPolarHBondContact O-CD 3.25Å; I875-F1031 HydrophobicContact CG2-CD1 3.68Å; I875-F1031 HydrophobicContact CG2-CE1 3.82Å; I875-F1031 HydrophobicContact CG2-CG 4.21Å; I875-F1031 HydrophobicContact CG2-CZ 4.45Å; I875-F1031 WeakPolarHBondContact O-CZ 3.26Å; I875-P1032 HydrophobicContact CD1-CG 4.26Å; I875-Y1035 HydrophobicContact CG1-CD1 4.19Å; I875-Y1035 HydrophobicContact CG1-CE1 4.17Å; I875-Y1035 HydrophobicContact CG2-CD1 3.91Å; I875-Y1035 HydrophobicContact CG2-CG 4.06Å | ||
| 876 | N | 85.3 | Confident | 91 | Very high | 17 Ų | 17 | 30 Ų | 30 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -150.5 | 166.6 | 176 | -156.6 | 38.3 | 0 | 0 | 0 | 112.7 | G874 L878 Q879 K943 | G874-N876 PolarHBondContact O-N 2.9Å; N876-L878 VanDerWaalsContact C-N 3.25Å; N876-L878 PolarHBondContact O-N 3.17Å; N876-Q879 WeakPolarHBondContact O-CB 3.27Å; N876-Q879 PolarHBondContact O-N 3.37Å; N876-Q879 VanDerWaalsContact O-N 3.17Å; N876-K943 WeakPolarHBondContact O-CE 3.35Å; N876-K943 PolarHBondContact O-NZ 3.27Å |
| 877 | E | 85 | Confident | 90.5 | Very high | 50 Ų | 50 | 35 Ų | 35 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 173.9 | 67.4 | -73.9 | 173.8 | 0 | 0 | 112.4 | Q879 S880 V881 Q1027 S1030 | E877-Q879 PolarHBondContact O-N 3.36Å; E877-S880 WeakPolarHBondContact O-CB 3.35Å; E877-S880 PolarHBondContact O-N 2.89Å; E877-V881 PolarHBondContact O-N 3.39Å; E877-V881 VanDerWaalsContact O-N 3.13Å; E877-Q1027 HydrophobicContact CG-CG 4.24Å; E877-Q1027 PolarHBondContact OE1-NE2 3.12Å; E877-Q1027 WeakPolarHBondContact OE2-CB 3.36Å; E877-Q1027 WeakPolarHBondContact OE2-CG 3.42Å; E877-Q1027 PolarHBondContact OE2-NE2 2.88Å; E877-S1030 WeakPolarHBondContact CA-OG 3.48Å; E877-S1030 PolarHBondContact N-OG 2.95Å |
| 878 | L | 87.5 | Confident | 90.1 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.6 | -24.6 | 178.2 | -63.8 | -179.2 | 0 | 0 | 0 | 112.5 | Y768 N876 V881 A882 | Y768-L878 HydrophobicContact CD1-CB 4.35Å; Y768-L878 HydrophobicContact CD1-CD1 4.37Å; Y768-L878 HydrophobicContact CD1-CD2 3.99Å; Y768-L878 HydrophobicContact CD1-CG 4.47Å; Y768-L878 HydrophobicContact CE1-CD2 4.33Å; Y768-L878 HydrophobicContact CG-CB 4.46Å; N876-L878 VanDerWaalsContact C-N 3.25Å; N876-L878 PolarHBondContact O-N 3.17Å; L878-V881 WeakPolarHBondContact O-CB 2.85Å; L878-V881 PolarHBondContact O-N 3.39Å; L878-A882 PolarHBondContact O-N 2.84Å |
| 879 | Q | 88.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.5 | -38.9 | 171.4 | -179.3 | 64.6 | 19 | 0 | 0 | 111.3 | S766 G874 N876 E877 V881 A882 E883 K943 | S766-Q879 VanDerWaalsContact CA-OE1 3.3Å; G874-Q879 WeakPolarHBondContact O-CB 3.38Å; G874-Q879 WeakPolarHBondContact O-CG 3.33Å; N876-Q879 WeakPolarHBondContact O-CB 3.27Å; N876-Q879 PolarHBondContact O-N 3.37Å; N876-Q879 VanDerWaalsContact O-N 3.17Å; E877-Q879 PolarHBondContact O-N 3.36Å; Q879-V881 PolarHBondContact O-N 2.88Å; Q879-A882 WeakPolarHBondContact O-CB 3.5Å; Q879-A882 PolarHBondContact O-N 2.75Å; Q879-A882 VanDerWaalsContact O-N 3.12Å; Q879-E883 HydrophobicContact CG-CG 4.47Å; Q879-E883 WeakPolarHBondContact O-CG 3.19Å; Q879-E883 PolarHBondContact O-N 3.22Å; Q879-K943 HydrophobicContact CG-CG 4.13Å |
| 880 | S | 87 | Confident | 89.7 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 22% | 0.217 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.4 | -33.8 | 174.6 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | E877 T884 K943 | E877-S880 WeakPolarHBondContact O-CB 3.35Å; E877-S880 PolarHBondContact O-N 2.89Å; S880-T884 WeakPolarHBondContact O-CB 3.29Å; S880-T884 PolarHBondContact O-N 3.5Å; S880-T884 PolarHBondContact O-OG1 2.81Å; S880-K943 WeakPolarHBondContact OG-CE 3.44Å; S880-K943 PolarHBondContact OG-NZ 3.04Å |
| 881 | V | 86.3 | Confident | 89.5 | Confident | 56 Ų | 56 | 37.8 Ų | 37.8 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 170.2 | 178.9 | 0 | 0 | 0 | 0 | 111 | Y768 E877 L878 Q879 E883 T884 L885 | Y768-V881 HydrophobicContact CD2-CG1 4.12Å; Y768-V881 HydrophobicContact CE2-CG1 3.81Å; E877-V881 PolarHBondContact O-N 3.39Å; E877-V881 VanDerWaalsContact O-N 3.13Å; L878-V881 WeakPolarHBondContact O-CB 2.85Å; L878-V881 PolarHBondContact O-N 3.39Å; Q879-V881 PolarHBondContact O-N 2.88Å; V881-E883 PolarHBondContact O-N 3.4Å; V881-T884 PolarHBondContact O-N 2.98Å; V881-L885 HydrophobicContact CG1-CD1 3.82Å; V881-L885 HydrophobicContact CG1-CG 4.37Å; V881-L885 WeakPolarHBondContact O-CB 3.36Å; V881-L885 WeakPolarHBondContact O-CG 3.41Å; V881-L885 PolarHBondContact O-N 3Å |
| 882 | A | 85.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C767 L878 Q879 L885 D886 K887 | C767-A882 HydrophobicContact CB-CB 4.1Å; L878-A882 PolarHBondContact O-N 2.84Å; Q879-A882 WeakPolarHBondContact O-CB 3.5Å; Q879-A882 PolarHBondContact O-N 2.75Å; Q879-A882 VanDerWaalsContact O-N 3.12Å; A882-L885 CarbonylContact O-C 3.58Å; A882-L885 PolarHBondContact O-N 3Å; A882-D886 PolarHBondContact O-N 3.08Å; A882-K887 HydrophobicContact CB-CB 4.35Å; A882-K887 PolarHBondContact O-N 2.95Å |
| 883 | E | 87.3 | Confident | 89.3 | Confident | 46 Ų | 46 | 40.8 Ų | 40.8 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 174.7 | -71.8 | 165.7 | 176.2 | 0 | 0 | 111.6 | Q879 V881 L885 D886 T888 S942 K943 | Q879-E883 HydrophobicContact CG-CG 4.47Å; Q879-E883 WeakPolarHBondContact O-CG 3.19Å; Q879-E883 PolarHBondContact O-N 3.22Å; V881-E883 PolarHBondContact O-N 3.4Å; E883-L885 PolarHBondContact O-N 3.07Å; E883-D886 PolarHBondContact O-N 2.78Å; E883-D886 VanDerWaalsContact O-N 3.15Å; E883-T888 HydrophobicContact CB-CG2 4.38Å; E883-T888 HydrophobicContact CG-CG2 3.75Å; E883-S942 WeakPolarHBondContact OE2-CB 3.35Å; E883-S942 PolarHBondContact OE2-OG 2.89Å; E883-K943 WeakPolarHBondContact OE1-CG 3.14Å; E883-K943 PolarHBondContact OE1-N 3.37Å |
| 884 | T | 85 | Confident | 89.4 | Confident | 122 Ų | 122 | 41 Ų | 41 | 75% | 0.748 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.8 | -32.5 | 178.4 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | S880 V881 | S880-T884 WeakPolarHBondContact O-CB 3.29Å; S880-T884 PolarHBondContact O-N 3.5Å; S880-T884 PolarHBondContact O-OG1 2.81Å; V881-T884 PolarHBondContact O-N 2.98Å |
| 885 | L | 86.1 | Confident | 89.6 | Confident | 92 Ų | 92 | 41 Ų | 41 | 48% | 0.482 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 7 | 179.4 | -63.8 | 177.9 | 0 | 0 | 0 | 113.5 | Y768 V881 A882 E883 K887 | Y768-L885 HydrophobicContact CE2-CD1 3.96Å; V881-L885 HydrophobicContact CG1-CD1 3.82Å; V881-L885 HydrophobicContact CG1-CG 4.37Å; V881-L885 WeakPolarHBondContact O-CB 3.36Å; V881-L885 WeakPolarHBondContact O-CG 3.41Å; V881-L885 PolarHBondContact O-N 3Å; A882-L885 CarbonylContact O-C 3.58Å; A882-L885 PolarHBondContact O-N 3Å; E883-L885 PolarHBondContact O-N 3.07Å; L885-K887 HydrophobicContact CB-CD 4.41Å; L885-K887 HydrophobicContact CB-CG 4.13Å; L885-K887 PolarHBondContact O-N 2.96Å |
| 886 | D | 84.6 | Confident | 90 | Very high | 135 Ų | 135 | 43.2 Ų | 43.2 | 72% | 0.722 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 35.1 | -174.9 | -160.8 | 24.5 | 0 | 0 | 0 | 114.3 | A882 E883 T888 | A882-D886 PolarHBondContact O-N 3.08Å; E883-D886 PolarHBondContact O-N 2.78Å; E883-D886 VanDerWaalsContact O-N 3.15Å; D886-T888 PolarHBondContact O-N 3.16Å |
| 887 | K | 86.3 | Confident | 90.6 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 48% | 0.478 | 24% | 0.239 | S | C | . | . | trans | -97.4 | 38.6 | 177.6 | -67.5 | -169.8 | 174.3 | -172.8 | 0 | 112.2 | C767 A882 L885 | C767-K887 WeakPolarHBondContact CB-O 3.45Å; A882-K887 HydrophobicContact CB-CB 4.35Å; A882-K887 PolarHBondContact O-N 2.95Å; L885-K887 HydrophobicContact CB-CD 4.41Å; L885-K887 HydrophobicContact CB-CG 4.13Å; L885-K887 PolarHBondContact O-N 2.96Å | ||
| 888 | T | 90.1 | Very high | 91.2 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | trans | -101.2 | 1 | -179 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | E883 D886 V890 Q891 N892 | E883-T888 HydrophobicContact CB-CG2 4.38Å; E883-T888 HydrophobicContact CG-CG2 3.75Å; D886-T888 PolarHBondContact O-N 3.16Å; T888-V890 VanDerWaalsContact C-N 3.29Å; T888-V890 PolarHBondContact O-N 2.98Å; T888-Q891 WeakPolarHBondContact O-CB 3.36Å; T888-Q891 PolarHBondContact O-N 2.88Å; T888-N892 PolarHBondContact O-N 2.89Å; T888-N892 PolarHBondContact OG1-ND2 3.22Å | ||
| 889 | A | 92.3 | Very high | 91.7 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.8 | -39.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P491 N892 A893 | P491-A889 HydrophobicContact CG-CB 3.64Å; A889-N892 PolarHBondContact O-N 2.91Å; A889-A893 WeakPolarHBondContact O-CB 3.36Å; A889-A893 PolarHBondContact O-N 3.02Å |
| 890 | V | 94.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 178.3 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | Y490 P491 L495 Q772 I775 E776 T888 N892 A893 V894 | Y490-V890 HydrophobicContact CE1-CG2 4.11Å; P491-V890 HydrophobicContact CB-CG2 4.36Å; P491-V890 HydrophobicContact CG-CG2 3.96Å; L495-V890 HydrophobicContact CD1-CG1 3.9Å; Q772-V890 HydrophobicContact CG-CB 4.49Å; Q772-V890 HydrophobicContact CG-CG2 4.1Å; I775-V890 HydrophobicContact CB-CG1 4.31Å; I775-V890 HydrophobicContact CG2-CG1 3.69Å; E776-V890 HydrophobicContact CG-CG1 4.3Å; T888-V890 VanDerWaalsContact C-N 3.29Å; T888-V890 PolarHBondContact O-N 2.98Å; V890-N892 VanDerWaalsContact C-N 3.34Å; V890-N892 PolarHBondContact O-N 3.39Å; V890-A893 PolarHBondContact O-N 3.39Å; V890-V894 WeakPolarHBondContact O-CG2 3.12Å; V890-V894 PolarHBondContact O-N 2.88Å |
| 891 | Q | 94.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 175 | 158.2 | 173.6 | -43.6 | 0 | 0 | 111.5 | C767 V872 T888 A893 V894 N895 | C767-Q891 WeakPolarHBondContact SG-CB 3.42Å; V872-Q891 HydrophobicContact CG1-CB 3.84Å; V872-Q891 HydrophobicContact CG1-CG 3.86Å; V872-Q891 VanDerWaalsContact O-CG 3.31Å; V872-Q891 WeakPolarHBondContact O-CG 3.37Å; T888-Q891 WeakPolarHBondContact O-CB 3.36Å; T888-Q891 PolarHBondContact O-N 2.88Å; Q891-A893 VanDerWaalsContact C-N 3.33Å; Q891-A893 PolarHBondContact O-N 2.82Å; Q891-V894 PolarHBondContact O-N 3.31Å; Q891-N895 WeakPolarHBondContact O-CB 3.16Å; Q891-N895 VanDerWaalsContact O-CG 3.23Å; Q891-N895 PolarHBondContact O-N 3.48Å; Q891-N895 PolarHBondContact O-ND2 3.47Å |
| 892 | N | 94.5 | Very high | 93.2 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 33% | 0.332 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 179 | -63.4 | -19.3 | 0 | 0 | 0 | 110.9 | T888 A889 V890 V894 N895 N896 | T888-N892 PolarHBondContact O-N 2.89Å; T888-N892 PolarHBondContact OG1-ND2 3.22Å; A889-N892 PolarHBondContact O-N 2.91Å; V890-N892 VanDerWaalsContact C-N 3.34Å; V890-N892 PolarHBondContact O-N 3.39Å; N892-V894 PolarHBondContact O-N 3.31Å; N892-N895 PolarHBondContact O-N 3.21Å; N892-N896 WeakPolarHBondContact O-CB 3.29Å; N892-N896 PolarHBondContact O-N 3.46Å; N892-N896 PolarHBondContact O-ND2 3.09Å |
| 893 | A | 96.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P491 P492 S493 E494 L495 A889 V890 Q891 H897 | P491-A893 HydrophobicContact CB-CB 4.25Å; P491-A893 HydrophobicContact CG-CB 4.37Å; P492-A893 WeakPolarHBondContact O-CB 3.24Å; S493-A893 WeakPolarHBondContact O-CA 3.34Å; E494-A893 WeakPolarHBondContact CA-O 3.3Å; L495-A893 HydrophobicContact CB-CB 4.29Å; L495-A893 HydrophobicContact CD1-CB 4.02Å; L495-A893 HydrophobicContact CG-CB 3.72Å; L495-A893 PolarHBondContact N-O 3.36Å; L495-A893 VanDerWaalsContact N-O 3.13Å; A889-A893 WeakPolarHBondContact O-CB 3.36Å; A889-A893 PolarHBondContact O-N 3.02Å; V890-A893 PolarHBondContact O-N 3.39Å; Q891-A893 VanDerWaalsContact C-N 3.33Å; Q891-A893 PolarHBondContact O-N 2.82Å; A893-H897 WeakPolarHBondContact O-CB 3.47Å; A893-H897 PolarHBondContact O-N 2.86Å |
| 894 | V | 97.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.3 | -46.8 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L495 I775 W778 A779 V872 V890 Q891 N892 N896 H897 G898 | L495-V894 HydrophobicContact CB-CG2 4.38Å; L495-V894 HydrophobicContact CD1-CG2 3.86Å; I775-V894 HydrophobicContact CG2-CG2 3.97Å; W778-V894 HydrophobicContact CZ3-CG1 4.02Å; A779-V894 HydrophobicContact CB-CG1 4.18Å; A779-V894 HydrophobicContact CB-CG2 3.64Å; V872-V894 HydrophobicContact CG1-CB 4.03Å; V872-V894 HydrophobicContact CG1-CG1 3.98Å; V890-V894 WeakPolarHBondContact O-CG2 3.12Å; V890-V894 PolarHBondContact O-N 2.88Å; Q891-V894 PolarHBondContact O-N 3.31Å; N892-V894 PolarHBondContact O-N 3.31Å; V894-N896 PolarHBondContact O-N 3.49Å; V894-H897 PolarHBondContact O-N 2.78Å; V894-G898 PolarHBondContact O-N 3.19Å |
| 895 | N | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.8 | -38.2 | -177.7 | -71.8 | -15.2 | 0 | 0 | 0 | 112.8 | F871 V872 Q891 N892 G898 L899 L936 | F871-N895 VanDerWaalsContact CA-OD1 3.28Å; F871-N895 WeakPolarHBondContact CA-OD1 3.31Å; F871-N895 HydrophobicContact CD1-CB 4.14Å; F871-N895 WeakPolarHBondContact CE1-O 3.36Å; V872-N895 PolarHBondContact N-OD1 3.07Å; V872-N895 PolarHBondContact O-ND2 2.99Å; V872-N895 PolarHBondContact O-OD1 2.73Å; Q891-N895 WeakPolarHBondContact O-CB 3.16Å; Q891-N895 VanDerWaalsContact O-CG 3.23Å; Q891-N895 PolarHBondContact O-N 3.48Å; Q891-N895 PolarHBondContact O-ND2 3.47Å; N892-N895 PolarHBondContact O-N 3.21Å; N895-G898 PolarHBondContact O-N 2.8Å; N895-L899 PolarHBondContact O-N 2.83Å; N895-L936 HydrophobicContact CB-CD1 4Å; N895-L936 HydrophobicContact CB-CD2 3.63Å; N895-L936 HydrophobicContact CB-CG 4.49Å |
| 896 | N | 97.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 174 | -71.5 | -21.2 | 0 | 0 | 0 | 110.9 | S493 E494 N892 V894 G898 L899 T900 | S493-N896 WeakPolarHBondContact O-CB 3.28Å; S493-N896 PolarHBondContact O-ND2 2.79Å; E494-N896 HydrophobicContact CG-CB 3.92Å; N892-N896 WeakPolarHBondContact O-CB 3.29Å; N892-N896 PolarHBondContact O-N 3.46Å; N892-N896 PolarHBondContact O-ND2 3.09Å; V894-N896 PolarHBondContact O-N 3.49Å; N896-G898 VanDerWaalsContact C-N 3.33Å; N896-G898 PolarHBondContact O-N 3.2Å; N896-L899 PolarHBondContact O-N 2.82Å; N896-T900 PolarHBondContact O-N 2.65Å; N896-T900 PolarHBondContact O-OG1 2.72Å |
| 897 | H | 97.7 | Very high | 96 | Very high | 23 Ų | 23 | 31 Ų | 31 | 11% | 0.106 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -42 | 175.2 | -175 | 67.6 | 0 | 0 | 0 | 111.9 | E494 D783 A893 V894 L899 T900 S901 | E494-H897 HydrophobicContact CB-CB 4.17Å; D783-H897 IonicContact OD1-CD2 2.96Å; D783-H897 IonicContact OD1-CE1 3.81Å; D783-H897 IonicContact OD1-NE2 3.45Å; D783-H897 PolarHBondContact OD1-NE2 3.18Å; D783-H897 IonicContact OD2-CE1 3.78Å; D783-H897 IonicContact OD2-NE2 3.35Å; D783-H897 PolarHBondContact OD2-NE2 2.88Å; A893-H897 WeakPolarHBondContact O-CB 3.47Å; A893-H897 PolarHBondContact O-N 2.86Å; V894-H897 PolarHBondContact O-N 2.78Å; H897-L899 PolarHBondContact O-N 3.36Å; H897-T900 PolarHBondContact O-N 2.91Å; H897-S901 WeakPolarHBondContact O-CB 3.21Å; H897-S901 PolarHBondContact O-N 3.24Å |
| 898 | G | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S870 V894 N895 N896 S901 L902 | S870-G898 WeakPolarHBondContact O-CA 3.32Å; V894-G898 PolarHBondContact O-N 3.19Å; N895-G898 PolarHBondContact O-N 2.8Å; N896-G898 VanDerWaalsContact C-N 3.33Å; N896-G898 PolarHBondContact O-N 3.2Å; G898-S901 PolarHBondContact O-N 3.15Å; G898-L902 WeakPolarHBondContact O-CB 3.39Å; G898-L902 PolarHBondContact O-N 2.9Å |
| 899 | L | 98.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.7 | 177.7 | 60 | 0 | 0 | 0 | 111.8 | F871 N895 N896 H897 L902 R903 L929 I932 T933 L936 | F871-L899 HydrophobicContact CE1-CB 4.3Å; F871-L899 HydrophobicContact CZ-CB 4.38Å; N895-L899 PolarHBondContact O-N 2.83Å; N896-L899 PolarHBondContact O-N 2.82Å; H897-L899 PolarHBondContact O-N 3.36Å; L899-L902 PolarHBondContact O-N 2.91Å; L899-R903 HydrophobicContact CD1-CG 4.3Å; L899-R903 WeakPolarHBondContact O-CB 3.33Å; L899-R903 WeakPolarHBondContact O-CG 3.4Å; L899-R903 PolarHBondContact O-N 2.89Å; L899-L929 HydrophobicContact CD1-CD2 4.13Å; L899-I932 HydrophobicContact CD1-CB 4.46Å; L899-I932 HydrophobicContact CD1-CG2 3.93Å; L899-T933 HydrophobicContact CD2-CG2 4.36Å; L899-L936 HydrophobicContact CB-CD1 4.28Å; L899-L936 HydrophobicContact CD2-CD1 4.17Å |
| 900 | T | 97.8 | Very high | 96.9 | Very high | 61 Ų | 61 | 30.6 Ų | 30.6 | 37% | 0.374 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60 | -45.1 | 175.5 | -68 | 0 | 0 | 0 | 0 | 111.1 | E494 N896 H897 R903 A904 | E494-T900 PolarHBondContact OE1-OG1 3Å; N896-T900 PolarHBondContact O-N 2.65Å; N896-T900 PolarHBondContact O-OG1 2.72Å; H897-T900 PolarHBondContact O-N 2.91Å; T900-R903 PolarHBondContact O-N 3.16Å; T900-A904 PolarHBondContact O-N 2.81Å |
| 901 | S | 97.8 | Very high | 97 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.1 | -176 | 0 | 0 | 0 | 0 | 112.5 | H867 P868 H897 G898 A904 Y905 | H867-S901 PolarHBondContact NE2-O 3Å; H867-S901 PolarHBondContact NE2-OG 3.45Å; P868-S901 PolarHBondContact O-OG 3.23Å; H897-S901 WeakPolarHBondContact O-CB 3.21Å; H897-S901 PolarHBondContact O-N 3.24Å; G898-S901 PolarHBondContact O-N 3.15Å; S901-A904 WeakPolarHBondContact O-CB 3.44Å; S901-A904 PolarHBondContact O-N 2.79Å; S901-Y905 PolarHBondContact O-N 3.11Å |
| 902 | L | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | -179.6 | -172.5 | 60.5 | 0 | 0 | 0 | 111.9 | L758 V869 F871 G898 L899 A904 Y905 F906 L929 I932 I954 | L758-L902 HydrophobicContact CD1-CD1 4.17Å; L758-L902 HydrophobicContact CD2-CD1 4.25Å; V869-L902 HydrophobicContact CG1-CB 3.93Å; V869-L902 HydrophobicContact CG1-CD1 4.28Å; V869-L902 HydrophobicContact CG1-CD2 4.48Å; V869-L902 HydrophobicContact CG1-CG 4.45Å; V869-L902 HydrophobicContact CG2-CB 3.99Å; V869-L902 HydrophobicContact CG2-CD1 4.02Å; F871-L902 HydrophobicContact CE2-CD2 4.22Å; F871-L902 HydrophobicContact CZ-CD2 4.43Å; G898-L902 WeakPolarHBondContact O-CB 3.39Å; G898-L902 PolarHBondContact O-N 2.9Å; L899-L902 PolarHBondContact O-N 2.91Å; L902-A904 VanDerWaalsContact C-N 3.32Å; L902-A904 PolarHBondContact O-N 3.49Å; L902-Y905 PolarHBondContact O-N 3.3Å; L902-F906 PolarHBondContact O-N 3.48Å; L902-L929 HydrophobicContact CB-CD2 4.41Å; L902-L929 HydrophobicContact CD2-CD2 3.64Å; L902-L929 HydrophobicContact CG-CD2 3.83Å; L902-I932 HydrophobicContact CD2-CD1 4.38Å; L902-I954 HydrophobicContact CD1-CG2 3.95Å; L902-I954 HydrophobicContact CD2-CD1 3.89Å; L902-I954 HydrophobicContact CD2-CG2 4.15Å; L902-I954 HydrophobicContact CG-CG2 4.37Å |
| 903 | R | 97.9 | Very high | 97 | Very high | 88 Ų | 88 | 44 Ų | 44 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 172.5 | -74.6 | 174 | 174.9 | 176.3 | -2.8 | 111.9 | L899 T900 Y905 F906 N907 L929 T933 | L899-R903 HydrophobicContact CD1-CG 4.3Å; L899-R903 WeakPolarHBondContact O-CB 3.33Å; L899-R903 WeakPolarHBondContact O-CG 3.4Å; L899-R903 PolarHBondContact O-N 2.89Å; T900-R903 PolarHBondContact O-N 3.16Å; R903-Y905 VanDerWaalsContact C-N 3.32Å; R903-Y905 PolarHBondContact O-N 3.03Å; R903-F906 PolarHBondContact O-N 2.79Å; R903-N907 WeakPolarHBondContact O-CB 3.29Å; R903-N907 PolarHBondContact O-N 2.92Å; R903-N907 PolarHBondContact O-ND2 2.57Å; R903-L929 HydrophobicContact CG-CD1 4.44Å; R903-L929 HydrophobicContact CG-CD2 4.28Å; R903-T933 PolarHBondContact NH2-OG1 3.47Å |
| 904 | A | 97.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T900 S901 L902 R908 | T900-A904 PolarHBondContact O-N 2.81Å; S901-A904 WeakPolarHBondContact O-CB 3.44Å; S901-A904 PolarHBondContact O-N 2.79Å; L902-A904 VanDerWaalsContact C-N 3.32Å; L902-A904 PolarHBondContact O-N 3.49Å; A904-R908 WeakPolarHBondContact O-CB 3.39Å; A904-R908 PolarHBondContact O-N 2.85Å; A904-R908 VanDerWaalsContact O-N 3.14Å |
| 905 | Y | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -49.9 | 173.1 | -172.5 | -92.1 | 0 | 0 | 0 | 111.7 | Q751 C755 G756 L758 H867 S901 L902 R903 N907 R908 Y909 F958 | Q751-Y905 PolarHBondContact NE2-OH 2.76Å; C755-Y905 HydrophobicContact CB-CE2 3.88Å; G756-Y905 PolarHBondContact O-OH 2.8Å; L758-Y905 HydrophobicContact CB-CD1 4.4Å; L758-Y905 HydrophobicContact CB-CD2 4.39Å; L758-Y905 HydrophobicContact CB-CE1 4Å; L758-Y905 HydrophobicContact CB-CE2 3.96Å; L758-Y905 HydrophobicContact CD1-CD1 4.14Å; L758-Y905 HydrophobicContact CD1-CD2 4.2Å; L758-Y905 HydrophobicContact CD1-CG 3.94Å; L758-Y905 HydrophobicContact CD2-CD1 4.23Å; L758-Y905 HydrophobicContact CD2-CE1 4.22Å; H867-Y905 HydrophobicContact CB-CD2 3.75Å; H867-Y905 HydrophobicContact CB-CE2 4.16Å; H867-Y905 AromaticContact CD2-CD2 3.9Å; H867-Y905 AromaticContact CG-CD2 3.56Å; H867-Y905 AromaticContact ND1-CD2 3.9Å; S901-Y905 PolarHBondContact O-N 3.11Å; L902-Y905 PolarHBondContact O-N 3.3Å; R903-Y905 VanDerWaalsContact C-N 3.32Å; R903-Y905 PolarHBondContact O-N 3.03Å; Y905-N907 VanDerWaalsContact C-N 3.33Å; Y905-N907 PolarHBondContact O-N 3.19Å; Y905-R908 WeakPolarHBondContact O-CB 3.41Å; Y905-R908 PolarHBondContact O-N 3.47Å; Y905-R908 VanDerWaalsContact O-N 3.09Å; Y905-Y909 PolarHBondContact O-N 3.27Å; Y905-F958 HydrophobicContact CD1-CD2 4.2Å; Y905-F958 HydrophobicContact CD1-CE2 4.22Å; Y905-F958 HydrophobicContact CD1-CG 4.36Å; Y905-F958 HydrophobicContact CD1-CZ 4.39Å; Y905-F958 HydrophobicContact CE1-CB 4.14Å; Y905-F958 AromaticContact CE1-CD1 3.82Å; Y905-F958 HydrophobicContact CE1-CD1 3.82Å; Y905-F958 HydrophobicContact CE1-CD2 4.04Å; Y905-F958 HydrophobicContact CE1-CE1 4.18Å; Y905-F958 HydrophobicContact CE1-CE2 4.38Å; Y905-F958 AromaticContact CE1-CG 3.74Å; Y905-F958 HydrophobicContact CE1-CG 3.74Å; Y905-F958 HydrophobicContact CE1-CZ 4.44Å |
| 906 | F | 97.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 10% | 0.101 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.4 | -49.2 | 177 | 171.8 | -96.8 | 0 | 0 | 0 | 111.5 | L902 R903 R908 Y909 T910 P916 V925 W926 L929 F958 | L902-F906 PolarHBondContact O-N 3.48Å; R903-F906 PolarHBondContact O-N 2.79Å; F906-R908 VanDerWaalsContact C-N 3.31Å; F906-R908 PolarHBondContact O-N 2.74Å; F906-Y909 PolarHBondContact O-N 2.99Å; F906-T910 HydrophobicContact CD1-CG2 4.3Å; F906-T910 HydrophobicContact CD2-CG2 4.04Å; F906-T910 HydrophobicContact CE1-CG2 3.91Å; F906-T910 HydrophobicContact CE2-CG2 3.62Å; F906-T910 HydrophobicContact CG-CG2 4.36Å; F906-T910 HydrophobicContact CZ-CG2 3.56Å; F906-T910 WeakPolarHBondContact O-CG2 3.34Å; F906-T910 PolarHBondContact O-N 3.31Å; F906-T910 PolarHBondContact O-OG1 3.31Å; F906-P916 HydrophobicContact CE2-CG 4.27Å; F906-V925 HydrophobicContact CD2-CB 4.25Å; F906-V925 HydrophobicContact CD2-CG1 3.56Å; F906-V925 HydrophobicContact CE2-CB 4.05Å; F906-V925 HydrophobicContact CE2-CG1 3.86Å; F906-W926 AromaticContact CD1-CE3 3.98Å; F906-W926 HydrophobicContact CD1-CE3 3.98Å; F906-W926 HydrophobicContact CD1-CZ3 4.2Å; F906-W926 HydrophobicContact CE1-CD2 4.43Å; F906-W926 AromaticContact CE1-CE3 3.44Å; F906-W926 HydrophobicContact CE1-CE3 3.44Å; F906-W926 VanDerWaalsContact CE1-CE3 3.44Å; F906-W926 AromaticContact CE1-CZ3 3.96Å; F906-W926 HydrophobicContact CE1-CZ3 3.96Å; F906-W926 HydrophobicContact CZ-CB 4.17Å; F906-W926 HydrophobicContact CZ-CE3 4.02Å; F906-L929 HydrophobicContact CB-CD1 4.03Å; F906-L929 HydrophobicContact CD1-CD1 4.12Å; F906-L929 HydrophobicContact CD2-CD1 4.2Å; F906-L929 HydrophobicContact CG-CD1 3.85Å; F906-F958 HydrophobicContact CD2-CZ 4.04Å |
| 907 | N | 97.1 | Very high | 94.9 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 178.8 | -70.7 | -21.1 | 0 | 0 | 0 | 112.8 | R903 Y905 T910 K911 | R903-N907 WeakPolarHBondContact O-CB 3.29Å; R903-N907 PolarHBondContact O-N 2.92Å; R903-N907 PolarHBondContact O-ND2 2.57Å; Y905-N907 VanDerWaalsContact C-N 3.33Å; Y905-N907 PolarHBondContact O-N 3.19Å; N907-T910 WeakPolarHBondContact CA-OG1 3.46Å; N907-T910 PolarHBondContact O-OG1 2.86Å; N907-K911 WeakPolarHBondContact O-CB 3.23Å; N907-K911 PolarHBondContact O-N 3.06Å |
| 908 | R | 96.5 | Very high | 93.7 | Very high | 96 Ų | 96 | 57.6 Ų | 57.6 | 36% | 0.362 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 175.6 | -172.8 | -176.8 | -61.5 | 148.7 | 7.1 | 110.7 | C755 H867 A904 Y905 F906 H912 | C755-R908 PolarHBondContact O-NH1 2.91Å; H867-R908 PolarHBondContact ND1-NH1 3.15Å; A904-R908 WeakPolarHBondContact O-CB 3.39Å; A904-R908 PolarHBondContact O-N 2.85Å; A904-R908 VanDerWaalsContact O-N 3.14Å; Y905-R908 WeakPolarHBondContact O-CB 3.41Å; Y905-R908 PolarHBondContact O-N 3.47Å; Y905-R908 VanDerWaalsContact O-N 3.09Å; F906-R908 VanDerWaalsContact C-N 3.31Å; F906-R908 PolarHBondContact O-N 2.74Å; R908-H912 PolarHBondContact O-CD2 2.7Å; R908-H912 VanDerWaalsContact O-CD2 3.28Å |
| 909 | Y | 96.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 11% | 0.114 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -52.2 | 177.9 | -178.7 | -84.3 | 0 | 0 | 0 | 111.2 | Q751 Y905 F906 K911 H912 F913 G914 P916 F958 | Q751-Y909 HydrophobicContact CG-CD2 4.2Å; Q751-Y909 HydrophobicContact CG-CE2 4.15Å; Q751-Y909 VanDerWaalsContact OE1-CE2 3.29Å; Y905-Y909 PolarHBondContact O-N 3.27Å; F906-Y909 PolarHBondContact O-N 2.99Å; Y909-K911 VanDerWaalsContact C-N 3.26Å; Y909-K911 PolarHBondContact O-N 2.99Å; Y909-H912 PolarHBondContact O-N 2.73Å; Y909-F913 HydrophobicContact CD1-CB 4.18Å; Y909-F913 HydrophobicContact CD2-CB 4.42Å; Y909-F913 AromaticContact CD2-CD2 3.85Å; Y909-F913 HydrophobicContact CD2-CD2 3.85Å; Y909-F913 HydrophobicContact CD2-CG 4.43Å; Y909-F913 HydrophobicContact CE1-CB 3.72Å; Y909-F913 HydrophobicContact CE2-CB 3.99Å; Y909-F913 AromaticContact CE2-CD2 3.89Å; Y909-F913 HydrophobicContact CE2-CD2 3.89Å; Y909-F913 HydrophobicContact CE2-CG 4.07Å; Y909-F913 HydrophobicContact CG-CD2 4.35Å; Y909-F913 PolarHBondContact O-N 2.89Å; Y909-G914 WeakPolarHBondContact CD1-O 3.38Å; Y909-G914 WeakPolarHBondContact CE1-O 3.28Å; Y909-P916 HydrophobicContact CD1-CB 4.4Å; Y909-P916 HydrophobicContact CE1-CB 3.85Å; Y909-F958 HydrophobicContact CD1-CD1 4.45Å; Y909-F958 AromaticContact CD1-CE1 3.66Å; Y909-F958 HydrophobicContact CD1-CE1 3.66Å; Y909-F958 AromaticContact CD2-CD1 3.93Å; Y909-F958 HydrophobicContact CD2-CD1 3.93Å; Y909-F958 AromaticContact CD2-CE1 3.86Å; Y909-F958 HydrophobicContact CD2-CE1 3.86Å; Y909-F958 HydrophobicContact CE1-CE1 4.06Å; Y909-F958 HydrophobicContact CE2-CD1 4.1Å; Y909-F958 HydrophobicContact CE2-CE1 4.24Å; Y909-F958 HydrophobicContact CG-CD1 4.1Å; Y909-F958 AromaticContact CG-CE1 3.54Å; Y909-F958 HydrophobicContact CG-CE1 3.54Å |
| 910 | T | 95.9 | Very high | 92 | Very high | 43 Ų | 43 | 61.1 Ų | 61.1 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -33 | -176.2 | 53 | 0 | 0 | 0 | 0 | 113.3 | F906 N907 H912 G914 | F906-T910 HydrophobicContact CD1-CG2 4.3Å; F906-T910 HydrophobicContact CD2-CG2 4.04Å; F906-T910 HydrophobicContact CE1-CG2 3.91Å; F906-T910 HydrophobicContact CE2-CG2 3.62Å; F906-T910 HydrophobicContact CG-CG2 4.36Å; F906-T910 HydrophobicContact CZ-CG2 3.56Å; F906-T910 WeakPolarHBondContact O-CG2 3.34Å; F906-T910 PolarHBondContact O-N 3.31Å; F906-T910 PolarHBondContact O-OG1 3.31Å; N907-T910 WeakPolarHBondContact CA-OG1 3.46Å; N907-T910 PolarHBondContact O-OG1 2.86Å; T910-H912 PolarHBondContact O-N 3.38Å; T910-G914 VanDerWaalsContact CA-O 3.3Å; T910-G914 WeakPolarHBondContact CA-O 3.43Å; T910-G914 WeakPolarHBondContact O-CA 3.48Å; T910-G914 PolarHBondContact O-N 3.36Å; T910-G914 VanDerWaalsContact O-N 3.1Å |
| 911 | K | 96.2 | Very high | 91.2 | Very high | 171 Ų | 171 | 60.6 Ų | 60.6 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.8 | -31.2 | 172.7 | -177.5 | 177.2 | 178.3 | 180 | 0 | 113.4 | N907 Y909 | N907-K911 WeakPolarHBondContact O-CB 3.23Å; N907-K911 PolarHBondContact O-N 3.06Å; Y909-K911 VanDerWaalsContact C-N 3.26Å; Y909-K911 PolarHBondContact O-N 2.99Å |
| 912 | H | 94.7 | Very high | 90.5 | Very high | 111 Ų | 111 | 64.8 Ų | 64.8 | 51% | 0.514 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -105.2 | -36.4 | -173.7 | -75.6 | -75 | 0 | 0 | 0 | 113.9 | V754 R908 Y909 T910 | V754-H912 HydrophobicContact CG1-CB 4Å; R908-H912 PolarHBondContact O-CD2 2.7Å; R908-H912 VanDerWaalsContact O-CD2 3.28Å; Y909-H912 PolarHBondContact O-N 2.73Å; T910-H912 PolarHBondContact O-N 3.38Å |
| 913 | F | 94.1 | Very high | 90 | Very high | 71 Ų | 71 | 68.2 Ų | 68.2 | 31% | 0.311 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -117.5 | -5.8 | -171.8 | -62.4 | -79.5 | 0 | 0 | 0 | 113.6 | E750 Q751 V754 Y909 | E750-F913 HydrophobicContact CB-CE1 4.27Å; E750-F913 HydrophobicContact CB-CZ 4.29Å; Q751-F913 HydrophobicContact CB-CE2 4.35Å; Q751-F913 HydrophobicContact CB-CZ 4.31Å; V754-F913 HydrophobicContact CB-CE2 4.2Å; V754-F913 HydrophobicContact CB-CZ 4.31Å; V754-F913 HydrophobicContact CG1-CE2 4.28Å; V754-F913 HydrophobicContact CG2-CZ 4.46Å; Y909-F913 HydrophobicContact CD1-CB 4.18Å; Y909-F913 HydrophobicContact CD2-CB 4.42Å; Y909-F913 AromaticContact CD2-CD2 3.85Å; Y909-F913 HydrophobicContact CD2-CD2 3.85Å; Y909-F913 HydrophobicContact CD2-CG 4.43Å; Y909-F913 HydrophobicContact CE1-CB 3.72Å; Y909-F913 HydrophobicContact CE2-CB 3.99Å; Y909-F913 AromaticContact CE2-CD2 3.89Å; Y909-F913 HydrophobicContact CE2-CD2 3.89Å; Y909-F913 HydrophobicContact CE2-CG 4.07Å; Y909-F913 HydrophobicContact CG-CD2 4.35Å; Y909-F913 PolarHBondContact O-N 2.89Å |
| 914 | G | 92.4 | Very high | 89.6 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | trans | 77 | -161.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y909 T910 | Y909-G914 WeakPolarHBondContact CD1-O 3.38Å; Y909-G914 WeakPolarHBondContact CE1-O 3.28Å; T910-G914 VanDerWaalsContact CA-O 3.3Å; T910-G914 WeakPolarHBondContact CA-O 3.43Å; T910-G914 WeakPolarHBondContact O-CA 3.48Å; T910-G914 PolarHBondContact O-N 3.36Å; T910-G914 VanDerWaalsContact O-N 3.1Å | ||
| 915 | A | 87.6 | Confident | 89.5 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 69% | 0.686 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -61.6 | 134.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 916 | P | 87.5 | Confident | 89.3 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 12% | 0.117 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -60 | 162.4 | 172.8 | 26 | -32.7 | 0 | 0 | 0 | 110.9 | F906 Y909 V925 F958 | F906-P916 HydrophobicContact CE2-CG 4.27Å; Y909-P916 HydrophobicContact CD1-CB 4.4Å; Y909-P916 HydrophobicContact CE1-CB 3.85Å; P916-V925 HydrophobicContact CB-CG2 4.23Å; P916-V925 HydrophobicContact CG-CB 3.78Å; P916-V925 HydrophobicContact CG-CG1 4.45Å; P916-V925 HydrophobicContact CG-CG2 3.49Å; P916-V925 VanDerWaalsContact CG-CG2 3.49Å; P916-F958 HydrophobicContact CB-CD1 4.34Å; P916-F958 HydrophobicContact CB-CE1 3.72Å; P916-F958 HydrophobicContact CB-CZ 4.19Å; P916-F958 HydrophobicContact CG-CE1 4.09Å; P916-F958 HydrophobicContact CG-CZ 4.09Å |
| 917 | G | 78.1 | Confident | 89.2 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 157.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T919 | G917-T919 PolarHBondContact O-N 3.32Š|
| 918 | R | 71.2 | Confident | 89.1 | Confident | 179 Ų | 179 | 71.1 Ų | 71.1 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 140.7 | 176.8 | -66.8 | -160.6 | 179.1 | -166.2 | -6.6 | 110.3 | N922 | R918-N922 WeakPolarHBondContact CD-OD1 3.44Å; R918-N922 PolarHBondContact NH1-ND2 3.02Å; R918-N922 PolarHBondContact NH1-OD1 2.83Å |
| 919 | T | 82.5 | Confident | 89.1 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 172.5 | 179.8 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | G917 S921 N922 Q923 V925 L928 E953 A957 | G917-T919 PolarHBondContact O-N 3.32Å; T919-S921 VanDerWaalsContact C-N 3.25Å; T919-S921 PolarHBondContact O-N 2.97Å; T919-N922 WeakPolarHBondContact O-CA 3.36Å; T919-N922 PolarHBondContact O-N 2.86Å; T919-Q923 VanDerWaalsContact CG2-O 3.27Å; T919-Q923 WeakPolarHBondContact CG2-O 3.49Å; T919-Q923 PolarHBondContact N-O 2.9Å; T919-Q923 PolarHBondContact OG1-N 3.02Å; T919-Q923 VanDerWaalsContact OG1-N 3.09Å; T919-Q923 PolarHBondContact OG1-O 2.73Å; T919-Q923 VanDerWaalsContact OG1-O 3.04Å; T919-V925 HydrophobicContact CG2-CG2 3.67Å; T919-L928 HydrophobicContact CG2-CD1 3.56Å; T919-E953 WeakPolarHBondContact CB-OE1 3.43Å; T919-E953 HydrophobicContact CG2-CG 4.28Å; T919-E953 PolarHBondContact OG1-OE1 3.14Å; T919-A957 HydrophobicContact CG2-CB 4.05Å |
| 920 | V | 77.7 | Confident | 89.1 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -40.6 | 174.1 | 156.4 | 0 | 0 | 0 | 0 | 112.8 | N922 E953 | V920-N922 PolarHBondContact O-N 3.13Å; V920-E953 HydrophobicContact CB-CG 4.28Å |
| 921 | S | 81 | Confident | 89 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 8.8 | 176.2 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | T919 Q923 E953 | T919-S921 VanDerWaalsContact C-N 3.25Å; T919-S921 PolarHBondContact O-N 2.97Å; S921-Q923 PolarHBondContact O-N 3.26Å; S921-Q923 WeakPolarHBondContact OG-CG 3.18Å; S921-Q923 PolarHBondContact OG-NE2 2.66Å; S921-E953 WeakPolarHBondContact CA-OE1 3.35Å; S921-E953 WeakPolarHBondContact CB-OE1 3.46Å; S921-E953 PolarHBondContact N-OE1 2.7Å; S921-E953 PolarHBondContact OG-OE1 3.28Å; S921-E953 PolarHBondContact OG-OE2 2.83Å |
| 922 | N | 82.8 | Confident | 89 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 62.4 | 25.8 | -178.8 | -158.7 | 36.4 | 0 | 0 | 0 | 113.2 | R918 T919 V920 | R918-N922 WeakPolarHBondContact CD-OD1 3.44Å; R918-N922 PolarHBondContact NH1-ND2 3.02Å; R918-N922 PolarHBondContact NH1-OD1 2.83Å; T919-N922 WeakPolarHBondContact O-CA 3.36Å; T919-N922 PolarHBondContact O-N 2.86Å; V920-N922 PolarHBondContact O-N 3.13Å |
| 923 | Q | 87.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 34% | 0.341 | 32% | 0.319 | S | S | . | . | trans | -100.2 | 159.8 | 178.5 | -69.4 | -175.3 | 67.6 | 0 | 0 | 111.1 | T919 S921 L928 | T919-Q923 VanDerWaalsContact CG2-O 3.27Å; T919-Q923 WeakPolarHBondContact CG2-O 3.49Å; T919-Q923 PolarHBondContact N-O 2.9Å; T919-Q923 PolarHBondContact OG1-N 3.02Å; T919-Q923 VanDerWaalsContact OG1-N 3.09Å; T919-Q923 PolarHBondContact OG1-O 2.73Å; T919-Q923 VanDerWaalsContact OG1-O 3.04Å; S921-Q923 PolarHBondContact O-N 3.26Å; S921-Q923 WeakPolarHBondContact OG-CG 3.18Å; S921-Q923 PolarHBondContact OG-NE2 2.66Å; Q923-L928 HydrophobicContact CB-CD2 3.99Å; Q923-L928 HydrophobicContact CB-CG 4.34Å | ||
| 924 | D | 91.3 | Very high | 89.1 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 49% | 0.492 | 33% | 0.33 | S | S | . | . | trans | -76.6 | 139.9 | 171.7 | -72.9 | -35.6 | 0 | 0 | 0 | 110 | W926 D927 L928 | D924-W926 PolarHBondContact O-N 2.76Å; D924-W926 VanDerWaalsContact O-N 3.11Å; D924-D927 WeakPolarHBondContact O-CB 3.36Å; D924-D927 PolarHBondContact O-N 3Å; D924-L928 PolarHBondContact O-N 3.33Å | ||
| 925 | V | 93.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.5 | -30.1 | 178.5 | 169.2 | 0 | 0 | 0 | 0 | 112 | F906 P916 T919 L928 L929 I954 A957 F958 | F906-V925 HydrophobicContact CD2-CB 4.25Å; F906-V925 HydrophobicContact CD2-CG1 3.56Å; F906-V925 HydrophobicContact CE2-CB 4.05Å; F906-V925 HydrophobicContact CE2-CG1 3.86Å; P916-V925 HydrophobicContact CB-CG2 4.23Å; P916-V925 HydrophobicContact CG-CB 3.78Å; P916-V925 HydrophobicContact CG-CG1 4.45Å; P916-V925 HydrophobicContact CG-CG2 3.49Å; P916-V925 VanDerWaalsContact CG-CG2 3.49Å; T919-V925 HydrophobicContact CG2-CG2 3.67Å; V925-L928 PolarHBondContact O-N 2.98Å; V925-L929 HydrophobicContact CG1-CD1 4.31Å; V925-L929 VanDerWaalsContact O-CG 3.32Å; V925-L929 WeakPolarHBondContact O-CG 3.4Å; V925-L929 PolarHBondContact O-N 2.86Å; V925-I954 HydrophobicContact CG1-CG1 4.21Å; V925-I954 HydrophobicContact CG1-CG2 3.79Å; V925-A957 HydrophobicContact CG2-CB 4.02Å; V925-F958 HydrophobicContact CG1-CE2 4.01Å; V925-F958 HydrophobicContact CG1-CZ 4.16Å |
| 926 | W | 93.7 | Very high | 89.4 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 49% | 0.489 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 176.3 | -175.6 | -102.3 | 0 | 0 | 0 | 113.2 | F906 D924 L929 T930 | F906-W926 AromaticContact CD1-CE3 3.98Å; F906-W926 HydrophobicContact CD1-CE3 3.98Å; F906-W926 HydrophobicContact CD1-CZ3 4.2Å; F906-W926 HydrophobicContact CE1-CD2 4.43Å; F906-W926 AromaticContact CE1-CE3 3.44Å; F906-W926 HydrophobicContact CE1-CE3 3.44Å; F906-W926 VanDerWaalsContact CE1-CE3 3.44Å; F906-W926 AromaticContact CE1-CZ3 3.96Å; F906-W926 HydrophobicContact CE1-CZ3 3.96Å; F906-W926 HydrophobicContact CZ-CB 4.17Å; F906-W926 HydrophobicContact CZ-CE3 4.02Å; D924-W926 PolarHBondContact O-N 2.76Å; D924-W926 VanDerWaalsContact O-N 3.11Å; W926-L929 HydrophobicContact CE3-CD1 4.11Å; W926-L929 WeakPolarHBondContact O-CB 3.37Å; W926-L929 PolarHBondContact O-N 2.72Å; W926-T930 PolarHBondContact O-N 3.46Å; W926-T930 PolarHBondContact O-OG1 2.82Å |
| 927 | D | 94.4 | Very high | 89.4 | Confident | 75 Ų | 75 | 61.2 Ų | 61.2 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 176.7 | -64.9 | -23.9 | 0 | 0 | 0 | 109.8 | D924 L929 T930 D931 | D924-D927 WeakPolarHBondContact O-CB 3.36Å; D924-D927 PolarHBondContact O-N 3Å; D927-L929 VanDerWaalsContact C-N 3.28Å; D927-L929 PolarHBondContact O-N 2.66Å; D927-T930 CarbonylContact O-C 3.54Å; D927-T930 WeakPolarHBondContact O-CA 3.49Å; D927-T930 VanDerWaalsContact O-CB 3.3Å; D927-T930 WeakPolarHBondContact O-CB 3.43Å; D927-T930 PolarHBondContact O-N 3.49Å; D927-D931 PolarHBondContact O-N 2.99Å |
| 928 | L | 95.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -37.1 | 174.3 | -56.8 | -175 | 0 | 0 | 0 | 112.5 | T919 Q923 D924 V925 T930 D931 I932 L950 E953 I954 | T919-L928 HydrophobicContact CG2-CD1 3.56Å; Q923-L928 HydrophobicContact CB-CD2 3.99Å; Q923-L928 HydrophobicContact CB-CG 4.34Å; D924-L928 PolarHBondContact O-N 3.33Å; V925-L928 PolarHBondContact O-N 2.98Å; L928-T930 VanDerWaalsContact C-N 3.31Å; L928-D931 PolarHBondContact O-N 2.62Å; L928-I932 WeakPolarHBondContact O-CG1 3.47Å; L928-I932 PolarHBondContact O-N 3.29Å; L928-L950 HydrophobicContact CD2-CD2 3.71Å; L928-E953 HydrophobicContact CD1-CB 4.17Å; L928-E953 HydrophobicContact CD1-CG 3.69Å; L928-I954 HydrophobicContact CB-CD1 3.76Å; L928-I954 HydrophobicContact CB-CG1 3.77Å; L928-I954 HydrophobicContact CD1-CG1 3.78Å; L928-I954 HydrophobicContact CG-CG1 4.45Å |
| 929 | L | 96.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 173.2 | -76.3 | 170.6 | 0 | 0 | 0 | 112 | L899 L902 R903 F906 V925 W926 D927 T933 I954 | L899-L929 HydrophobicContact CD1-CD2 4.13Å; L902-L929 HydrophobicContact CB-CD2 4.41Å; L902-L929 HydrophobicContact CD2-CD2 3.64Å; L902-L929 HydrophobicContact CG-CD2 3.83Å; R903-L929 HydrophobicContact CG-CD1 4.44Å; R903-L929 HydrophobicContact CG-CD2 4.28Å; F906-L929 HydrophobicContact CB-CD1 4.03Å; F906-L929 HydrophobicContact CD1-CD1 4.12Å; F906-L929 HydrophobicContact CD2-CD1 4.2Å; F906-L929 HydrophobicContact CG-CD1 3.85Å; V925-L929 HydrophobicContact CG1-CD1 4.31Å; V925-L929 VanDerWaalsContact O-CG 3.32Å; V925-L929 WeakPolarHBondContact O-CG 3.4Å; V925-L929 PolarHBondContact O-N 2.86Å; W926-L929 HydrophobicContact CE3-CD1 4.11Å; W926-L929 WeakPolarHBondContact O-CB 3.37Å; W926-L929 PolarHBondContact O-N 2.72Å; D927-L929 VanDerWaalsContact C-N 3.28Å; D927-L929 PolarHBondContact O-N 2.66Å; L929-T933 PolarHBondContact O-N 3.16Å; L929-T933 VanDerWaalsContact O-N 3.07Å; L929-T933 PolarHBondContact O-OG1 3.46Å; L929-I954 HydrophobicContact CD2-CD1 3.97Å; L929-I954 HydrophobicContact CG-CD1 4.05Å |
| 930 | T | 96.2 | Very high | 88.5 | Confident | 68 Ų | 68 | 64.4 Ų | 64.4 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | W926 D927 L928 T933 H934 | W926-T930 PolarHBondContact O-N 3.46Å; W926-T930 PolarHBondContact O-OG1 2.82Å; D927-T930 CarbonylContact O-C 3.54Å; D927-T930 WeakPolarHBondContact O-CA 3.49Å; D927-T930 VanDerWaalsContact O-CB 3.3Å; D927-T930 WeakPolarHBondContact O-CB 3.43Å; D927-T930 PolarHBondContact O-N 3.49Å; L928-T930 VanDerWaalsContact C-N 3.31Å; T930-T933 WeakPolarHBondContact O-CA 3.4Å; T930-T933 VanDerWaalsContact O-CB 3.26Å; T930-T933 WeakPolarHBondContact O-CB 3.44Å; T930-T933 PolarHBondContact O-N 3.09Å; T930-T933 VanDerWaalsContact O-N 3.16Å; T930-H934 PolarHBondContact O-N 3.18Å |
| 931 | D | 95.3 | Very high | 88 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.1 | -72.8 | -17.1 | 0 | 0 | 0 | 112.3 | D927 L928 T933 H934 H935 L950 | D927-D931 PolarHBondContact O-N 2.99Å; L928-D931 PolarHBondContact O-N 2.62Å; D931-T933 VanDerWaalsContact C-N 3.25Å; D931-T933 PolarHBondContact O-N 3.22Å; D931-H934 PolarHBondContact O-N 2.85Å; D931-H935 WeakPolarHBondContact O-CB 3.22Å; D931-H935 PolarHBondContact O-CD2 3Å; D931-H935 PolarHBondContact O-N 3.23Å; D931-L950 HydrophobicContact CB-CD1 3.75Å |
| 932 | I | 96.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57 | -44.1 | 172 | -70 | 170.9 | 0 | 0 | 0 | 110.2 | F871 L899 L902 L928 H934 H935 L936 V947 L950 A951 I954 | F871-I932 HydrophobicContact CE1-CG2 4.04Å; F871-I932 HydrophobicContact CZ-CG2 4.19Å; L899-I932 HydrophobicContact CD1-CB 4.46Å; L899-I932 HydrophobicContact CD1-CG2 3.93Å; L902-I932 HydrophobicContact CD2-CD1 4.38Å; L928-I932 WeakPolarHBondContact O-CG1 3.47Å; L928-I932 PolarHBondContact O-N 3.29Å; I932-H934 VanDerWaalsContact C-N 3.34Å; I932-H934 PolarHBondContact O-N 3.48Å; I932-H935 PolarHBondContact O-N 3.04Å; I932-L936 HydrophobicContact CG2-CD1 3.98Å; I932-L936 HydrophobicContact CG2-CG 4.33Å; I932-L936 WeakPolarHBondContact O-CG 3.44Å; I932-L936 PolarHBondContact O-N 2.96Å; I932-V947 HydrophobicContact CG2-CG1 4.13Å; I932-L950 HydrophobicContact CD1-CB 3.89Å; I932-L950 HydrophobicContact CG1-CB 3.62Å; I932-L950 HydrophobicContact CG1-CD1 3.88Å; I932-L950 HydrophobicContact CG1-CG 4.42Å; I932-A951 HydrophobicContact CD1-CB 4.4Å; I932-I954 HydrophobicContact CD1-CD1 3.67Å |
| 933 | T | 96.1 | Very high | 88 | Confident | 26 Ų | 26 | 62 Ų | 62 | 16% | 0.16 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 178.4 | -52 | 0 | 0 | 0 | 0 | 111.2 | L899 R903 L929 T930 D931 L936 N937 | L899-T933 HydrophobicContact CD2-CG2 4.36Å; R903-T933 PolarHBondContact NH2-OG1 3.47Å; L929-T933 PolarHBondContact O-N 3.16Å; L929-T933 VanDerWaalsContact O-N 3.07Å; L929-T933 PolarHBondContact O-OG1 3.46Å; T930-T933 WeakPolarHBondContact O-CA 3.4Å; T930-T933 VanDerWaalsContact O-CB 3.26Å; T930-T933 WeakPolarHBondContact O-CB 3.44Å; T930-T933 PolarHBondContact O-N 3.09Å; T930-T933 VanDerWaalsContact O-N 3.16Å; D931-T933 VanDerWaalsContact C-N 3.25Å; D931-T933 PolarHBondContact O-N 3.22Å; T933-L936 PolarHBondContact O-N 2.88Å; T933-N937 WeakPolarHBondContact O-CB 3.34Å; T933-N937 PolarHBondContact O-N 2.88Å; T933-N937 VanDerWaalsContact O-N 3.12Å; T933-N937 PolarHBondContact O-ND2 3.26Å |
| 934 | H | 94.6 | Very high | 88.1 | Confident | 117 Ų | 117 | 59.1 Ų | 59.1 | 54% | 0.542 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177 | -179.9 | 68.4 | 0 | 0 | 0 | 111.6 | T930 D931 I932 L936 N937 T938 | T930-H934 PolarHBondContact O-N 3.18Å; D931-H934 PolarHBondContact O-N 2.85Å; I932-H934 VanDerWaalsContact C-N 3.34Å; I932-H934 PolarHBondContact O-N 3.48Å; H934-L936 PolarHBondContact O-N 2.95Å; H934-N937 PolarHBondContact O-N 3.01Å; H934-T938 PolarHBondContact O-N 2.7Å; H934-T938 PolarHBondContact O-OG1 3.37Å |
| 935 | H | 93.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 178.7 | -73.1 | -47.3 | 0 | 0 | 0 | 113.5 | D931 I932 R941 V947 | D931-H935 WeakPolarHBondContact O-CB 3.22Å; D931-H935 PolarHBondContact O-CD2 3Å; D931-H935 PolarHBondContact O-N 3.23Å; I932-H935 PolarHBondContact O-N 3.04Å; H935-R941 PolarHBondContact CE1-NH1 3.13Å; H935-R941 PolarHBondContact ND1-NH1 2.85Å; H935-R941 VanDerWaalsContact ND1-NH1 3.15Å; H935-V947 HydrophobicContact CB-CG2 3.64Å |
| 936 | L | 91.8 | Very high | 88.2 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.3 | -31 | 177.6 | -68.4 | 180 | 0 | 0 | 0 | 113.2 | F871 N895 L899 I932 T933 H934 V947 | F871-L936 HydrophobicContact CE1-CD1 4.26Å; N895-L936 HydrophobicContact CB-CD1 4Å; N895-L936 HydrophobicContact CB-CD2 3.63Å; N895-L936 HydrophobicContact CB-CG 4.49Å; L899-L936 HydrophobicContact CB-CD1 4.28Å; L899-L936 HydrophobicContact CD2-CD1 4.17Å; I932-L936 HydrophobicContact CG2-CD1 3.98Å; I932-L936 HydrophobicContact CG2-CG 4.33Å; I932-L936 WeakPolarHBondContact O-CG 3.44Å; I932-L936 PolarHBondContact O-N 2.96Å; T933-L936 PolarHBondContact O-N 2.88Å; H934-L936 PolarHBondContact O-N 2.95Å; L936-V947 HydrophobicContact CD2-CG1 4.36Å; L936-V947 HydrophobicContact CD2-CG2 3.96Å; L936-V947 HydrophobicContact CG-CG2 4.24Å |
| 937 | N | 88.8 | Confident | 88.3 | Confident | 115 Ų | 115 | 51.5 Ų | 51.5 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -86.5 | -5.8 | -179.5 | -70.7 | -26.1 | 0 | 0 | 0 | 114 | T933 H934 P939 | T933-N937 WeakPolarHBondContact O-CB 3.34Å; T933-N937 PolarHBondContact O-N 2.88Å; T933-N937 VanDerWaalsContact O-N 3.12Å; T933-N937 PolarHBondContact O-ND2 3.26Å; H934-N937 PolarHBondContact O-N 3.01Å; N937-P939 VanDerWaalsContact O-CD 3.26Å; N937-P939 WeakPolarHBondContact O-CD 3.27Å |
| 938 | T | 82.9 | Confident | 88.4 | Confident | 45 Ų | 45 | 48 Ų | 48 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | trans | -82.9 | 111.6 | -177.6 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | H934 V940 R941 | H934-T938 PolarHBondContact O-N 2.7Å; H934-T938 PolarHBondContact O-OG1 3.37Å; T938-V940 VanDerWaalsContact C-N 3.29Å; T938-V940 PolarHBondContact O-N 3.3Å; T938-R941 HydrophobicContact CG2-CB 4.4Å | ||
| 939 | P | 67 | Low | 88.4 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 83% | 0.825 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -18.3 | -171.8 | 25.1 | -32 | 0 | 0 | 0 | 114.7 | N937 | N937-P939 VanDerWaalsContact O-CD 3.26Å; N937-P939 WeakPolarHBondContact O-CD 3.27Å |
| 940 | V | 61.7 | Low | 88.4 | Confident | 135 Ų | 135 | 51.1 Ų | 51.1 | 82% | 0.818 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1.1 | -170 | -170.2 | 0 | 0 | 0 | 0 | 113.1 | T938 S942 | T938-V940 VanDerWaalsContact C-N 3.29Å; T938-V940 PolarHBondContact O-N 3.3Å; V940-S942 PolarHBondContact O-N 3.22Å |
| 941 | R | 67.8 | Low | 88.4 | Confident | 97 Ų | 97 | 47.9 Ų | 47.9 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | trans | -92.5 | 109 | -172.7 | -160.6 | 175.2 | -167.6 | 122.7 | 2.9 | 111.9 | H935 T938 P944 E946 | H935-R941 PolarHBondContact CE1-NH1 3.13Å; H935-R941 PolarHBondContact ND1-NH1 2.85Å; H935-R941 VanDerWaalsContact ND1-NH1 3.15Å; T938-R941 HydrophobicContact CG2-CB 4.4Å; R941-P944 HydrophobicContact CG-CB 4.37Å; R941-E946 IonicContact CZ-OE1 3.2Å; R941-E946 IonicContact CZ-OE2 2.67Å; R941-E946 VanDerWaalsContact CZ-OE2 3.27Å; R941-E946 IonicContact NE-OE1 3.31Å; R941-E946 IonicContact NE-OE2 3.16Å; R941-E946 PolarHBondContact NE-OE2 3.4Å; R941-E946 IonicContact NH2-OE1 3.29Å; R941-E946 PolarHBondContact NH2-OE1 3.24Å; R941-E946 IonicContact NH2-OE2 2.68Å; R941-E946 PolarHBondContact NH2-OE2 3.15Å | ||
| 942 | S | 77.7 | Confident | 88.4 | Confident | 71 Ų | 71 | 45.3 Ų | 45.3 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -68.3 | 131.1 | 165 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | E883 V940 | E883-S942 WeakPolarHBondContact OE2-CB 3.35Å; E883-S942 PolarHBondContact OE2-OG 2.89Å; V940-S942 PolarHBondContact O-N 3.22Å |
| 943 | K | 86.2 | Confident | 88.3 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 45.5 | 76.5 | 176.3 | -59.2 | 174.1 | -173.9 | 166.7 | 0 | 113.7 | V873 G874 N876 Q879 S880 E883 V945 S1030 P1032 | V873-K943 HydrophobicContact CG1-CB 4.02Å; G874-K943 WeakPolarHBondContact O-CD 3.29Å; G874-K943 WeakPolarHBondContact O-CE 3.45Å; G874-K943 WeakPolarHBondContact O-CG 3.42Å; N876-K943 WeakPolarHBondContact O-CE 3.35Å; N876-K943 PolarHBondContact O-NZ 3.27Å; Q879-K943 HydrophobicContact CG-CG 4.13Å; S880-K943 WeakPolarHBondContact OG-CE 3.44Å; S880-K943 PolarHBondContact OG-NZ 3.04Å; E883-K943 WeakPolarHBondContact OE1-CG 3.14Å; E883-K943 PolarHBondContact OE1-N 3.37Å; K943-V945 HydrophobicContact CB-CG1 4.44Å; K943-V945 WeakPolarHBondContact O-CG1 3.3Å; K943-V945 PolarHBondContact O-N 2.88Å; K943-S1030 PolarHBondContact NZ-O 2.8Å; K943-P1032 HydrophobicContact CB-CG 4.34Å; K943-P1032 HydrophobicContact CD-CG 4.27Å |
| 944 | P | 89.6 | Confident | 88.3 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | trans | -70.6 | 66.2 | -178.2 | 32.5 | -38.7 | 0 | 0 | 0 | 112.6 | V873 R941 E946 V947 | V873-P944 HydrophobicContact CG2-CG 4.25Å; R941-P944 HydrophobicContact CG-CB 4.37Å; P944-E946 PolarHBondContact O-N 3.33Å; P944-E946 VanDerWaalsContact O-N 3.15Å; P944-V947 HydrophobicContact CB-CG2 4.17Å; P944-V947 WeakPolarHBondContact O-CB 3.3Å; P944-V947 WeakPolarHBondContact O-CG2 3.49Å; P944-V947 PolarHBondContact O-N 3.21Å; P944-V947 VanDerWaalsContact O-N 3.11Å | ||
| 945 | V | 93.6 | Very high | 88.3 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.4 | -174.8 | -64.8 | 0 | 0 | 0 | 0 | 113.8 | V873 I875 K943 V947 L948 Q949 P1032 Y1035 | V873-V945 HydrophobicContact CG1-CG1 4.11Å; I875-V945 HydrophobicContact CD1-CG1 3.43Å; I875-V945 VanDerWaalsContact CD1-CG1 3.43Å; K943-V945 HydrophobicContact CB-CG1 4.44Å; K943-V945 WeakPolarHBondContact O-CG1 3.3Å; K943-V945 PolarHBondContact O-N 2.88Å; V945-V947 PolarHBondContact O-N 3.1Å; V945-L948 WeakPolarHBondContact O-CB 3.35Å; V945-L948 PolarHBondContact O-N 3.39Å; V945-L948 VanDerWaalsContact O-N 3.1Å; V945-Q949 PolarHBondContact O-N 3.02Å; V945-P1032 HydrophobicContact CG1-CB 4.39Å; V945-P1032 HydrophobicContact CG1-CG 3.77Å; V945-Y1035 HydrophobicContact CB-CE2 3.92Å; V945-Y1035 HydrophobicContact CG1-CD2 4.43Å; V945-Y1035 HydrophobicContact CG1-CE2 3.88Å; V945-Y1035 HydrophobicContact CG2-CE2 4.28Å |
| 946 | E | 94 | Very high | 88.3 | Confident | 54 Ų | 54 | 40.4 Ų | 40.4 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.4 | -32.1 | 175.6 | -63.6 | 77 | -177.2 | 0 | 0 | 111.2 | R941 P944 L948 Q949 L950 | R941-E946 IonicContact CZ-OE1 3.2Å; R941-E946 IonicContact CZ-OE2 2.67Å; R941-E946 VanDerWaalsContact CZ-OE2 3.27Å; R941-E946 IonicContact NE-OE1 3.31Å; R941-E946 IonicContact NE-OE2 3.16Å; R941-E946 PolarHBondContact NE-OE2 3.4Å; R941-E946 IonicContact NH2-OE1 3.29Å; R941-E946 PolarHBondContact NH2-OE1 3.24Å; R941-E946 IonicContact NH2-OE2 2.68Å; R941-E946 PolarHBondContact NH2-OE2 3.15Å; P944-E946 PolarHBondContact O-N 3.33Å; P944-E946 VanDerWaalsContact O-N 3.15Å; E946-L948 PolarHBondContact O-N 2.75Å; E946-Q949 PolarHBondContact O-N 3.12Å; E946-Q949 VanDerWaalsContact O-N 3.14Å; E946-L950 WeakPolarHBondContact O-CB 3.44Å; E946-L950 VanDerWaalsContact O-CG 3.24Å; E946-L950 WeakPolarHBondContact O-CG 3.4Å; E946-L950 PolarHBondContact O-N 3.2Å |
| 947 | V | 95.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | F871 I932 H935 L936 P944 V945 A951 | F871-V947 HydrophobicContact CB-CG1 4.18Å; F871-V947 HydrophobicContact CD1-CG1 3.42Å; F871-V947 VanDerWaalsContact CD1-CG1 3.42Å; F871-V947 HydrophobicContact CE1-CG1 3.9Å; F871-V947 HydrophobicContact CG-CG1 3.83Å; I932-V947 HydrophobicContact CG2-CG1 4.13Å; H935-V947 HydrophobicContact CB-CG2 3.64Å; L936-V947 HydrophobicContact CD2-CG1 4.36Å; L936-V947 HydrophobicContact CD2-CG2 3.96Å; L936-V947 HydrophobicContact CG-CG2 4.24Å; P944-V947 HydrophobicContact CB-CG2 4.17Å; P944-V947 WeakPolarHBondContact O-CB 3.3Å; P944-V947 WeakPolarHBondContact O-CG2 3.49Å; P944-V947 PolarHBondContact O-N 3.21Å; P944-V947 VanDerWaalsContact O-N 3.11Å; V945-V947 PolarHBondContact O-N 3.1Å; V947-A951 WeakPolarHBondContact O-CB 3.21Å; V947-A951 PolarHBondContact O-N 2.83Å |
| 948 | L | 96.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 179.7 | -56.3 | -176.4 | 0 | 0 | 0 | 111.5 | E762 L764 F871 V873 V945 E946 S952 | E762-L948 HydrophobicContact CG-CB 4.42Å; E762-L948 HydrophobicContact CG-CD1 3.83Å; E762-L948 HydrophobicContact CG-CD2 3.97Å; E762-L948 HydrophobicContact CG-CG 4.28Å; L764-L948 HydrophobicContact CD2-CD1 3.78Å; F871-L948 HydrophobicContact CB-CD2 3.72Å; V873-L948 HydrophobicContact CB-CD1 3.99Å; V873-L948 HydrophobicContact CB-CG 4.28Å; V873-L948 HydrophobicContact CG2-CD1 4.18Å; V873-L948 HydrophobicContact CG2-CD2 3.95Å; V873-L948 HydrophobicContact CG2-CG 3.89Å; V945-L948 WeakPolarHBondContact O-CB 3.35Å; V945-L948 PolarHBondContact O-N 3.39Å; V945-L948 VanDerWaalsContact O-N 3.1Å; E946-L948 PolarHBondContact O-N 2.75Å; L948-S952 WeakPolarHBondContact O-CB 3.3Å; L948-S952 PolarHBondContact O-N 3.43Å |
| 949 | Q | 94.5 | Very high | 89 | Confident | 47 Ų | 47 | 37.1 Ų | 37.1 | 22% | 0.22 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -48.4 | 179.3 | -64.1 | 176.5 | -17.6 | 0 | 0 | 111.4 | V945 E946 A951 S952 E953 | V945-Q949 PolarHBondContact O-N 3.02Å; E946-Q949 PolarHBondContact O-N 3.12Å; E946-Q949 VanDerWaalsContact O-N 3.14Å; Q949-A951 VanDerWaalsContact C-N 3.35Å; Q949-A951 PolarHBondContact O-N 2.9Å; Q949-S952 WeakPolarHBondContact O-CA 3.48Å; Q949-S952 VanDerWaalsContact O-CB 3.28Å; Q949-S952 WeakPolarHBondContact O-CB 3.33Å; Q949-S952 PolarHBondContact O-N 2.91Å; Q949-S952 VanDerWaalsContact O-N 3.1Å; Q949-E953 PolarHBondContact O-N 3.25Å |
| 950 | L | 96.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 177 | -65.6 | 168.8 | 0 | 0 | 0 | 111.1 | L928 D931 I932 E946 S952 E953 I954 | L928-L950 HydrophobicContact CD2-CD2 3.71Å; D931-L950 HydrophobicContact CB-CD1 3.75Å; I932-L950 HydrophobicContact CD1-CB 3.89Å; I932-L950 HydrophobicContact CG1-CB 3.62Å; I932-L950 HydrophobicContact CG1-CD1 3.88Å; I932-L950 HydrophobicContact CG1-CG 4.42Å; E946-L950 WeakPolarHBondContact O-CB 3.44Å; E946-L950 VanDerWaalsContact O-CG 3.24Å; E946-L950 WeakPolarHBondContact O-CG 3.4Å; E946-L950 PolarHBondContact O-N 3.2Å; L950-S952 VanDerWaalsContact C-N 3.28Å; L950-S952 PolarHBondContact O-N 3.39Å; L950-E953 PolarHBondContact O-N 2.95Å; L950-I954 VanDerWaalsContact O-CG1 3.31Å; L950-I954 WeakPolarHBondContact O-CG1 3.23Å; L950-I954 PolarHBondContact O-N 2.99Å |
| 951 | A | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -34.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q760 F871 I932 V947 Q949 T955 | Q760-A951 HydrophobicContact CG-CB 4.49Å; F871-A951 HydrophobicContact CD2-CB 3.58Å; F871-A951 HydrophobicContact CE2-CB 3.7Å; F871-A951 HydrophobicContact CG-CB 4.5Å; I932-A951 HydrophobicContact CD1-CB 4.4Å; V947-A951 WeakPolarHBondContact O-CB 3.21Å; V947-A951 PolarHBondContact O-N 2.83Å; Q949-A951 VanDerWaalsContact C-N 3.35Å; Q949-A951 PolarHBondContact O-N 2.9Å; A951-T955 WeakPolarHBondContact O-CB 3.31Å; A951-T955 PolarHBondContact O-N 2.82Å; A951-T955 PolarHBondContact O-OG1 2.87Å |
| 952 | S | 95.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61 | -50.2 | 172.1 | -164.2 | 0 | 0 | 0 | 0 | 112.7 | L948 Q949 L950 I954 T955 Q956 R962 E980 | L948-S952 WeakPolarHBondContact O-CB 3.3Å; L948-S952 PolarHBondContact O-N 3.43Å; Q949-S952 WeakPolarHBondContact O-CA 3.48Å; Q949-S952 VanDerWaalsContact O-CB 3.28Å; Q949-S952 WeakPolarHBondContact O-CB 3.33Å; Q949-S952 PolarHBondContact O-N 2.91Å; Q949-S952 VanDerWaalsContact O-N 3.1Å; L950-S952 VanDerWaalsContact C-N 3.28Å; L950-S952 PolarHBondContact O-N 3.39Å; S952-I954 PolarHBondContact O-N 3.21Å; S952-T955 WeakPolarHBondContact O-CB 3.3Å; S952-T955 PolarHBondContact O-N 3.47Å; S952-T955 VanDerWaalsContact O-N 3.11Å; S952-Q956 WeakPolarHBondContact O-CG 3.43Å; S952-Q956 PolarHBondContact O-N 3.23Å; S952-Q956 PolarHBondContact OG-NE2 3.1Å; S952-R962 VanDerWaalsContact CA-CZ 3.4Å; S952-R962 VanDerWaalsContact CB-NH2 3.27Å; S952-R962 PolarHBondContact OG-NE 3.25Å; S952-R962 PolarHBondContact OG-NH2 3.34Å; S952-E980 PolarHBondContact OG-OE1 2.81Å; S952-E980 PolarHBondContact OG-OE2 2.87Å; S952-E980 VanDerWaalsContact OG-OE2 3.08Å |
| 953 | E | 94.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 17.7 Ų | 17.7 | 13% | 0.131 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 179.3 | -177.6 | 170 | 173.1 | 0 | 0 | 112.5 | T919 V920 S921 L928 Q949 L950 T955 Q956 A957 | T919-E953 WeakPolarHBondContact CB-OE1 3.43Å; T919-E953 HydrophobicContact CG2-CG 4.28Å; T919-E953 PolarHBondContact OG1-OE1 3.14Å; V920-E953 HydrophobicContact CB-CG 4.28Å; S921-E953 WeakPolarHBondContact CA-OE1 3.35Å; S921-E953 WeakPolarHBondContact CB-OE1 3.46Å; S921-E953 PolarHBondContact N-OE1 2.7Å; S921-E953 PolarHBondContact OG-OE1 3.28Å; S921-E953 PolarHBondContact OG-OE2 2.83Å; L928-E953 HydrophobicContact CD1-CB 4.17Å; L928-E953 HydrophobicContact CD1-CG 3.69Å; Q949-E953 PolarHBondContact O-N 3.25Å; L950-E953 PolarHBondContact O-N 2.95Å; E953-T955 VanDerWaalsContact C-N 3.31Å; E953-T955 PolarHBondContact O-N 2.78Å; E953-Q956 PolarHBondContact O-N 3.06Å; E953-A957 PolarHBondContact O-N 2.85Å |
| 954 | I | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.4 | -64.8 | 169 | 0 | 0 | 0 | 110.7 | L902 V925 L928 L929 I932 L950 S952 Q956 A957 F958 | L902-I954 HydrophobicContact CD1-CG2 3.95Å; L902-I954 HydrophobicContact CD2-CD1 3.89Å; L902-I954 HydrophobicContact CD2-CG2 4.15Å; L902-I954 HydrophobicContact CG-CG2 4.37Å; V925-I954 HydrophobicContact CG1-CG1 4.21Å; V925-I954 HydrophobicContact CG1-CG2 3.79Å; L928-I954 HydrophobicContact CB-CD1 3.76Å; L928-I954 HydrophobicContact CB-CG1 3.77Å; L928-I954 HydrophobicContact CD1-CG1 3.78Å; L928-I954 HydrophobicContact CG-CG1 4.45Å; L929-I954 HydrophobicContact CD2-CD1 3.97Å; L929-I954 HydrophobicContact CG-CD1 4.05Å; I932-I954 HydrophobicContact CD1-CD1 3.67Å; L950-I954 VanDerWaalsContact O-CG1 3.31Å; L950-I954 WeakPolarHBondContact O-CG1 3.23Å; L950-I954 PolarHBondContact O-N 2.99Å; S952-I954 PolarHBondContact O-N 3.21Å; I954-Q956 VanDerWaalsContact C-N 3.33Å; I954-Q956 PolarHBondContact O-N 2.88Å; I954-A957 PolarHBondContact O-N 3.19Å; I954-F958 HydrophobicContact CG2-CD2 3.86Å; I954-F958 HydrophobicContact CG2-CE2 3.62Å; I954-F958 WeakPolarHBondContact O-CD2 3.33Å; I954-F958 PolarHBondContact O-N 2.98Å |
| 955 | T | 95.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | -179.7 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | L758 Q760 A951 S952 E953 F958 H959 G960 R962 | L758-T955 HydrophobicContact CD2-CG2 4.21Å; Q760-T955 HydrophobicContact CB-CG2 3.83Å; Q760-T955 WeakPolarHBondContact CB-OG1 3.37Å; A951-T955 WeakPolarHBondContact O-CB 3.31Å; A951-T955 PolarHBondContact O-N 2.82Å; A951-T955 PolarHBondContact O-OG1 2.87Å; S952-T955 WeakPolarHBondContact O-CB 3.3Å; S952-T955 PolarHBondContact O-N 3.47Å; S952-T955 VanDerWaalsContact O-N 3.11Å; E953-T955 VanDerWaalsContact C-N 3.31Å; E953-T955 PolarHBondContact O-N 2.78Å; T955-F958 CarbonylContact O-C 3.52Å; T955-F958 PolarHBondContact O-N 3.4Å; T955-H959 PolarHBondContact O-N 3.37Å; T955-G960 PolarHBondContact O-N 3.42Å; T955-R962 HydrophobicContact CG2-CG 4.38Å; T955-R962 PolarHBondContact OG1-NH1 3.33Å |
| 956 | Q | 92.5 | Very high | 95.6 | Very high | 41 Ų | 41 | 16.2 Ų | 16.2 | 19% | 0.192 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 176.2 | -70.9 | 177.7 | 32.5 | 0 | 0 | 111.4 | S952 E953 I954 F958 H959 | S952-Q956 WeakPolarHBondContact O-CG 3.43Å; S952-Q956 PolarHBondContact O-N 3.23Å; S952-Q956 PolarHBondContact OG-NE2 3.1Å; E953-Q956 PolarHBondContact O-N 3.06Å; I954-Q956 VanDerWaalsContact C-N 3.33Å; I954-Q956 PolarHBondContact O-N 2.88Å; Q956-F958 PolarHBondContact O-N 2.79Å; Q956-F958 VanDerWaalsContact O-N 3.11Å; Q956-H959 PolarHBondContact O-CD2 2.57Å; Q956-H959 PolarHBondContact O-N 3.13Å |
| 957 | A | 92.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 16.3 Ų | 16.3 | 17% | 0.174 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.7 | -21.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T919 V925 E953 I954 | T919-A957 HydrophobicContact CG2-CB 4.05Å; V925-A957 HydrophobicContact CG2-CB 4.02Å; E953-A957 PolarHBondContact O-N 2.85Å; I954-A957 PolarHBondContact O-N 3.19Å |
| 958 | F | 94.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 7.7 | 175.1 | -69.1 | -58.7 | 0 | 0 | 0 | 114.3 | Q751 L758 Y905 F906 Y909 P916 V925 I954 T955 Q956 G960 | Q751-F958 PolarHBondContact NE2-O 3.17Å; L758-F958 HydrophobicContact CD2-CB 3.91Å; L758-F958 HydrophobicContact CD2-CD2 3.73Å; L758-F958 HydrophobicContact CD2-CG 4.19Å; Y905-F958 HydrophobicContact CD1-CD2 4.2Å; Y905-F958 HydrophobicContact CD1-CE2 4.22Å; Y905-F958 HydrophobicContact CD1-CG 4.36Å; Y905-F958 HydrophobicContact CD1-CZ 4.39Å; Y905-F958 HydrophobicContact CE1-CB 4.14Å; Y905-F958 AromaticContact CE1-CD1 3.82Å; Y905-F958 HydrophobicContact CE1-CD1 3.82Å; Y905-F958 HydrophobicContact CE1-CD2 4.04Å; Y905-F958 HydrophobicContact CE1-CE1 4.18Å; Y905-F958 HydrophobicContact CE1-CE2 4.38Å; Y905-F958 AromaticContact CE1-CG 3.74Å; Y905-F958 HydrophobicContact CE1-CG 3.74Å; Y905-F958 HydrophobicContact CE1-CZ 4.44Å; F906-F958 HydrophobicContact CD2-CZ 4.04Å; Y909-F958 HydrophobicContact CD1-CD1 4.45Å; Y909-F958 AromaticContact CD1-CE1 3.66Å; Y909-F958 HydrophobicContact CD1-CE1 3.66Å; Y909-F958 AromaticContact CD2-CD1 3.93Å; Y909-F958 HydrophobicContact CD2-CD1 3.93Å; Y909-F958 AromaticContact CD2-CE1 3.86Å; Y909-F958 HydrophobicContact CD2-CE1 3.86Å; Y909-F958 HydrophobicContact CE1-CE1 4.06Å; Y909-F958 HydrophobicContact CE2-CD1 4.1Å; Y909-F958 HydrophobicContact CE2-CE1 4.24Å; Y909-F958 HydrophobicContact CG-CD1 4.1Å; Y909-F958 AromaticContact CG-CE1 3.54Å; Y909-F958 HydrophobicContact CG-CE1 3.54Å; P916-F958 HydrophobicContact CB-CD1 4.34Å; P916-F958 HydrophobicContact CB-CE1 3.72Å; P916-F958 HydrophobicContact CB-CZ 4.19Å; P916-F958 HydrophobicContact CG-CE1 4.09Å; P916-F958 HydrophobicContact CG-CZ 4.09Å; V925-F958 HydrophobicContact CG1-CE2 4.01Å; V925-F958 HydrophobicContact CG1-CZ 4.16Å; I954-F958 HydrophobicContact CG2-CD2 3.86Å; I954-F958 HydrophobicContact CG2-CE2 3.62Å; I954-F958 WeakPolarHBondContact O-CD2 3.33Å; I954-F958 PolarHBondContact O-N 2.98Å; T955-F958 CarbonylContact O-C 3.52Å; T955-F958 PolarHBondContact O-N 3.4Å; Q956-F958 PolarHBondContact O-N 2.79Å; Q956-F958 VanDerWaalsContact O-N 3.11Å; F958-G960 PolarHBondContact O-N 2.67Å; F958-G960 VanDerWaalsContact O-N 3.1Å |
| 959 | H | 91.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 16.9 Ų | 16.9 | 45% | 0.454 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32.2 | -174.1 | -59.2 | -178.6 | 0 | 0 | 0 | 113 | Q740 D748 T955 Q956 | Q740-H959 PolarHBondContact NE2-O 3.12Å; Q740-H959 VanDerWaalsContact NE2-O 3.12Å; D748-H959 IonicContact OD1-CE1 2.8Å; D748-H959 IonicContact OD1-CG 2.73Å; D748-H959 IonicContact OD1-ND1 3.34Å; D748-H959 PolarHBondContact OD1-ND1 2.84Å; D748-H959 IonicContact OD2-ND1 2.65Å; T955-H959 PolarHBondContact O-N 3.37Å; Q956-H959 PolarHBondContact O-CD2 2.57Å; Q956-H959 PolarHBondContact O-N 3.13Å |
| 960 | G | 95.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 14.6 Ų | 14.6 | 9% | 0.093 | 8% | 0.076 | C | C | . | . | trans | -77.5 | 169.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L758 T955 F958 | L758-G960 CarbonylContact O-C 3.59Å; L758-G960 VanDerWaalsContact O-CA 3.27Å; L758-G960 WeakPolarHBondContact O-CA 3.49Å; T955-G960 PolarHBondContact O-N 3.42Å; F958-G960 PolarHBondContact O-N 2.67Å; F958-G960 VanDerWaalsContact O-N 3.1Å | ||
| 961 | L | 97.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 136.2 | 178.7 | -47.8 | 176.1 | 0 | 0 | 0 | 110.4 | V733 A736 L737 Q740 V757 L758 A759 Q760 L866 I963 | V733-L961 HydrophobicContact CG1-CD1 4.18Å; A736-L961 HydrophobicContact CB-CB 4.12Å; A736-L961 HydrophobicContact CB-CD1 4.06Å; A736-L961 HydrophobicContact CB-CD2 4.24Å; A736-L961 HydrophobicContact CB-CG 4.36Å; L737-L961 HydrophobicContact CD2-CD1 3.81Å; L737-L961 HydrophobicContact CD2-CD2 4.44Å; L737-L961 HydrophobicContact CG-CD1 3.77Å; Q740-L961 HydrophobicContact CB-CD2 3.61Å; Q740-L961 HydrophobicContact CG-CD2 3.85Å; V757-L961 HydrophobicContact CG1-CD1 3.94Å; V757-L961 HydrophobicContact CG1-CD2 4.23Å; V757-L961 HydrophobicContact CG1-CG 3.79Å; L758-L961 PolarHBondContact O-N 2.77Å; A759-L961 HydrophobicContact CB-CB 4.25Å; A759-L961 HydrophobicContact CB-CD1 4.18Å; Q760-L961 PolarHBondContact N-O 3.4Å; L866-L961 HydrophobicContact CD2-CD1 4.38Å; L961-I963 HydrophobicContact CB-CD1 3.87Å |
| 962 | R | 97.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 3% | 0.034 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119 | 177.1 | -65.3 | -63 | -59.4 | 165.4 | 5.4 | 111 | I458 E762 S952 T955 E980 | I458-R962 PolarHBondContact N-O 3.09Å; E762-R962 IonicContact OE2-NH2 3.78Å; S952-R962 VanDerWaalsContact CA-CZ 3.4Å; S952-R962 VanDerWaalsContact CB-NH2 3.27Å; S952-R962 PolarHBondContact OG-NE 3.25Å; S952-R962 PolarHBondContact OG-NH2 3.34Å; T955-R962 HydrophobicContact CG2-CG 4.38Å; T955-R962 PolarHBondContact OG1-NH1 3.33Å; R962-E980 IonicContact CZ-OE2 3.58Å; R962-E980 IonicContact NE-OE1 2.91Å; R962-E980 PolarHBondContact NE-OE1 3Å; R962-E980 IonicContact NE-OE2 2.74Å; R962-E980 PolarHBondContact NE-OE2 3.33Å; R962-E980 IonicContact NH2-OE2 3.36Å; R962-E980 PolarHBondContact NH2-OE2 3.37Å |
| 963 | I | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 115.6 | 178.5 | -55.2 | 91.3 | 0 | 0 | 0 | 110 | I458 V460 F463 A736 Q760 F761 E762 L961 T965 | I458-I963 HydrophobicContact CB-CG1 4.12Å; I458-I963 HydrophobicContact CB-CG2 4.42Å; I458-I963 HydrophobicContact CG2-CG2 4.42Å; I458-I963 CarbonylContact O-C 3.54Å; I458-I963 WeakPolarHBondContact O-CA 3.47Å; V460-I963 HydrophobicContact CG1-CG2 3.68Å; F463-I963 HydrophobicContact CZ-CG2 4.35Å; A736-I963 HydrophobicContact CB-CD1 4.45Å; A736-I963 HydrophobicContact CB-CG1 4.47Å; Q760-I963 WeakPolarHBondContact O-CD1 3.45Å; Q760-I963 PolarHBondContact O-N 3.46Å; F761-I963 WeakPolarHBondContact CA-O 3.49Å; F761-I963 HydrophobicContact CD1-CB 3.81Å; F761-I963 HydrophobicContact CD1-CD1 4.28Å; F761-I963 HydrophobicContact CD1-CG1 4.3Å; F761-I963 HydrophobicContact CD1-CG2 3.97Å; F761-I963 HydrophobicContact CE1-CB 4.12Å; F761-I963 HydrophobicContact CE1-CD1 3.97Å; F761-I963 HydrophobicContact CE1-CG1 4.11Å; F761-I963 HydrophobicContact CE1-CG2 4.26Å; F761-I963 HydrophobicContact CZ-CD1 4.21Å; E762-I963 PolarHBondContact N-O 2.83Å; L961-I963 HydrophobicContact CB-CD1 3.87Å; I963-T965 HydrophobicContact CG2-CG2 4.06Å |
| 964 | T | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128 | 179.6 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | I457 I458 V460 E762 L764 T973 S976 V977 | I457-T964 WeakPolarHBondContact CG2-OG1 3.46Å; I458-T964 PolarHBondContact O-N 3.32Å; V460-T964 PolarHBondContact N-O 3.39Å; V460-T964 VanDerWaalsContact N-O 3.09Å; E762-T964 HydrophobicContact CG-CG2 4.43Å; L764-T964 HydrophobicContact CD1-CG2 4.3Å; T964-T973 HydrophobicContact CG2-CG2 3.96Å; T964-S976 WeakPolarHBondContact CG2-OG 3.43Å; T964-V977 HydrophobicContact CG2-CG2 4.39Å |
| 965 | T | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.6 | -173.8 | 70.3 | 0 | 0 | 0 | 0 | 114.1 | V460 F463 E762 L764 W778 I963 | V460-T965 HydrophobicContact CG1-CG2 3.72Å; V460-T965 WeakPolarHBondContact O-CA 3.35Å; V460-T965 WeakPolarHBondContact O-CB 3.44Å; F463-T965 HydrophobicContact CE2-CG2 4.45Å; F463-T965 HydrophobicContact CZ-CG2 4.25Å; E762-T965 WeakPolarHBondContact O-CA 3.08Å; E762-T965 PolarHBondContact O-N 2.85Å; E762-T965 PolarHBondContact O-OG1 2.89Å; L764-T965 WeakPolarHBondContact CB-O 3.5Å; L764-T965 WeakPolarHBondContact CG-O 3.21Å; L764-T965 PolarHBondContact N-O 3.05Å; W778-T965 PolarHBondContact NE1-OG1 3.16Å; I963-T965 HydrophobicContact CG2-CG2 4.06Å |
| 966 | C | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | -172.3 | 163.6 | 79 | 0 | 0 | 0 | 0 | 108.7 | G461 A462 L764 S968 A969 R972 T973 | G461-C966 CarbonylContact C-O 3.45Å; G461-C966 WeakPolarHBondContact CA-O 3.41Å; A462-C966 PolarHBondContact N-O 3.29Å; L764-C966 HydrophobicContact CB-CB 3.92Å; L764-C966 HydrophobicContact CD1-CB 4.4Å; C966-S968 VanDerWaalsContact C-N 3.25Å; C966-S968 PolarHBondContact O-N 3.46Å; C966-S968 VanDerWaalsContact O-N 3.09Å; C966-A969 PolarHBondContact SG-N 3.25Å; C966-R972 HydrophobicContact CB-CB 4.03Å; C966-T973 WeakPolarHBondContact CB-OG1 3.43Å; C966-T973 PolarHBondContact N-OG1 3.31Å; C966-T973 PolarHBondContact SG-OG1 3.2Å |
| 967 | K | 95.7 | Very high | 96.2 | Very high | 56 Ų | 56 | 12 Ų | 12 | 24% | 0.243 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -50.8 | -37.9 | -179.4 | -180 | 167.3 | -180 | 172.3 | 0 | 115.2 | R425 L765 E771 M774 R972 | R425-K967 WeakPolarHBondContact CD-O 3.3Å; R425-K967 VanDerWaalsContact CZ-CE 3.42Å; R425-K967 VanDerWaalsContact NH2-CE 3.32Å; L765-K967 HydrophobicContact CD2-CB 4.11Å; E771-K967 HydrophobicContact CG-CD 4.35Å; E771-K967 WeakPolarHBondContact OE1-CD 3.37Å; M774-K967 HydrophobicContact CE-CG 4.01Å; M774-K967 HydrophobicContact SD-CB 4.36Å; M774-K967 HydrophobicContact SD-CD 4.3Å; M774-K967 HydrophobicContact SD-CG 3.9Å; K967-R972 VanDerWaalsContact CB-NH2 3.25Å |
| 968 | S | 94 | Very high | 96.4 | Very high | 12 Ų | 12 | 11 Ų | 11 | 8% | 0.084 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -139 | 6.8 | -175.9 | 59.9 | 0 | 0 | 0 | 0 | 115 | N436 C966 K970 | N436-S968 WeakPolarHBondContact CB-O 3.31Å; N436-S968 PolarHBondContact ND2-O 3.43Å; C966-S968 VanDerWaalsContact C-N 3.25Å; C966-S968 PolarHBondContact O-N 3.46Å; C966-S968 VanDerWaalsContact O-N 3.09Å; S968-K970 PolarHBondContact O-N 2.87Å; S968-K970 VanDerWaalsContact O-N 3.09Å |
| 969 | A | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 46.3 | 36.1 | -174 | 0 | 0 | 0 | 0 | 0 | 116.5 | N436 V460 G461 C966 T973 R1008 N1011 | N436-A969 HydrophobicContact CB-CB 3.88Å; V460-A969 WeakPolarHBondContact O-CB 3.43Å; G461-A969 VanDerWaalsContact N-CB 3.26Å; C966-A969 PolarHBondContact SG-N 3.25Å; A969-T973 WeakPolarHBondContact CA-OG1 3.02Å; A969-T973 HydrophobicContact CB-CG2 4.26Å; A969-R1008 PolarHBondContact O-NH2 2.89Å; A969-N1011 PolarHBondContact O-ND2 2.89Å; A969-N1011 VanDerWaalsContact O-ND2 3.14Å |
| 970 | K | 95.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -107.1 | -89.8 | 175.8 | -170.2 | 179 | 73.9 | -174.7 | 0 | 110.5 | S968 A974 V1012 N1015 T1016 S1048 | S968-K970 PolarHBondContact O-N 2.87Å; S968-K970 VanDerWaalsContact O-N 3.09Å; K970-A974 VanDerWaalsContact O-CB 3.25Å; K970-A974 WeakPolarHBondContact O-CB 3.39Å; K970-A974 PolarHBondContact O-N 3.19Å; K970-A974 VanDerWaalsContact O-N 3.08Å; K970-V1012 HydrophobicContact CD-CG1 4.32Å; K970-V1012 HydrophobicContact CG-CB 4.35Å; K970-V1012 HydrophobicContact CG-CG1 4.49Å; K970-V1012 HydrophobicContact CG-CG2 3.84Å; K970-N1015 HydrophobicContact CD-CB 3.71Å; K970-T1016 HydrophobicContact CD-CG2 3.97Å; K970-S1048 PolarHBondContact NZ-OXT 3.27Å |
| 971 | D | 94.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 6.2 Ų | 6.2 | 8% | 0.075 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -76.4 | -55.7 | -167.5 | -42.8 | -84.5 | 0 | 0 | 0 | 113.9 | A974 M975 Y1021 A1022 F1023 | D971-A974 WeakPolarHBondContact O-CB 3.46Å; D971-A974 PolarHBondContact O-N 2.64Å; D971-M975 PolarHBondContact O-N 3.23Å; D971-Y1021 HydrophobicContact CB-CD1 4.38Å; D971-Y1021 WeakPolarHBondContact OD1-CA 3.4Å; D971-A1022 PolarHBondContact OD1-N 3.16Å; D971-F1023 HydrophobicContact CB-CD2 4.49Å; D971-F1023 HydrophobicContact CB-CE1 3.97Å; D971-F1023 HydrophobicContact CB-CE2 3.68Å; D971-F1023 HydrophobicContact CB-CZ 3.37Å |
| 972 | R | 95.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 6 Ų | 6 | 9% | 0.087 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | -179.7 | -74.4 | 179 | -71.3 | -178.2 | -17.5 | 112.1 | L764 E771 I875 C966 K967 A974 M975 S976 F1023 F1031 | L764-R972 HydrophobicContact CD1-CB 4.21Å; L764-R972 WeakPolarHBondContact CD1-O 3.29Å; L764-R972 PolarHBondContact O-NH1 3.25Å; E771-R972 IonicContact OE1-CZ 3.6Å; E771-R972 IonicContact OE1-NH1 3.77Å; E771-R972 PolarHBondContact OE1-NH1 3.38Å; E771-R972 IonicContact OE1-NH2 3.52Å; E771-R972 PolarHBondContact OE1-NH2 2.85Å; E771-R972 IonicContact OE2-CZ 3.11Å; E771-R972 IonicContact OE2-NH1 2.78Å; E771-R972 PolarHBondContact OE2-NH1 3.45Å; E771-R972 IonicContact OE2-NH2 2.67Å; I875-R972 WeakPolarHBondContact O-CD 3.25Å; C966-R972 HydrophobicContact CB-CB 4.03Å; K967-R972 VanDerWaalsContact CB-NH2 3.25Å; R972-A974 VanDerWaalsContact C-N 3.29Å; R972-A974 PolarHBondContact O-N 3.26Å; R972-M975 WeakPolarHBondContact O-CB 3.47Å; R972-M975 PolarHBondContact O-N 2.84Å; R972-S976 PolarHBondContact O-N 2.94Å; R972-F1023 HydrophobicContact CG-CE1 4.14Å; R972-F1023 HydrophobicContact CG-CZ 4.21Å; R972-F1031 HydrophobicContact CG-CE1 4.25Å; R972-F1031 HydrophobicContact CG-CZ 4.24Å |
| 973 | T | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.1 | -35.3 | 175.3 | -61 | 0 | 0 | 0 | 0 | 111.8 | T964 C966 A969 M975 S976 V977 | T964-T973 HydrophobicContact CG2-CG2 3.96Å; C966-T973 WeakPolarHBondContact CB-OG1 3.43Å; C966-T973 PolarHBondContact N-OG1 3.31Å; C966-T973 PolarHBondContact SG-OG1 3.2Å; A969-T973 WeakPolarHBondContact CA-OG1 3.02Å; A969-T973 HydrophobicContact CB-CG2 4.26Å; T973-M975 VanDerWaalsContact C-N 3.27Å; T973-M975 PolarHBondContact O-N 3.23Å; T973-S976 PolarHBondContact O-N 3.02Å; T973-V977 HydrophobicContact CG2-CG2 3.77Å; T973-V977 WeakPolarHBondContact O-CB 3.49Å; T973-V977 VanDerWaalsContact O-CG2 3.25Å; T973-V977 WeakPolarHBondContact O-CG2 3.2Å; T973-V977 PolarHBondContact O-N 2.67Å |
| 974 | A | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.8 | -40 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K970 D971 R972 T978 R1008 Y1021 | K970-A974 VanDerWaalsContact O-CB 3.25Å; K970-A974 WeakPolarHBondContact O-CB 3.39Å; K970-A974 PolarHBondContact O-N 3.19Å; K970-A974 VanDerWaalsContact O-N 3.08Å; D971-A974 WeakPolarHBondContact O-CB 3.46Å; D971-A974 PolarHBondContact O-N 2.64Å; R972-A974 VanDerWaalsContact C-N 3.29Å; R972-A974 PolarHBondContact O-N 3.26Å; A974-T978 WeakPolarHBondContact O-CB 3.45Å; A974-T978 VanDerWaalsContact O-CG2 3.32Å; A974-T978 WeakPolarHBondContact O-CG2 3.3Å; A974-T978 PolarHBondContact O-N 2.96Å; A974-T978 VanDerWaalsContact O-N 3.12Å; A974-T978 PolarHBondContact O-OG1 2.98Å; A974-R1008 HydrophobicContact CB-CB 3.64Å; A974-R1008 HydrophobicContact CB-CG 4.18Å; A974-Y1021 HydrophobicContact CB-CD1 4.37Å; A974-Y1021 HydrophobicContact CB-CE1 3.58Å |
| 975 | M | 97 | Very high | 96.4 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.8 | -57.7 | -58.1 | 104.7 | 0 | 0 | 111.7 | D971 R972 T973 T978 L979 R1003 Y1021 F1023 Y1035 P1037 | D971-M975 PolarHBondContact O-N 3.23Å; R972-M975 WeakPolarHBondContact O-CB 3.47Å; R972-M975 PolarHBondContact O-N 2.84Å; T973-M975 VanDerWaalsContact C-N 3.27Å; T973-M975 PolarHBondContact O-N 3.23Å; M975-T978 PolarHBondContact O-OG1 3.01Å; M975-L979 VanDerWaalsContact O-CB 3.31Å; M975-L979 WeakPolarHBondContact O-CB 3.28Å; M975-L979 PolarHBondContact O-N 3.3Å; M975-R1003 HydrophobicContact CE-CG 4.44Å; M975-R1003 PolarHBondContact O-NH2 2.93Å; M975-Y1021 HydrophobicContact CE-CD1 4Å; M975-Y1021 HydrophobicContact CE-CD2 3.98Å; M975-Y1021 HydrophobicContact CE-CE1 3.73Å; M975-Y1021 HydrophobicContact CE-CE2 3.72Å; M975-Y1021 HydrophobicContact CE-CG 4.13Å; M975-F1023 HydrophobicContact CG-CE2 4.29Å; M975-F1023 HydrophobicContact CG-CZ 4.41Å; M975-Y1035 HydrophobicContact CB-CD1 4.17Å; M975-Y1035 VanDerWaalsContact CG-O 3.23Å; M975-Y1035 WeakPolarHBondContact CG-O 3.38Å; M975-P1037 HydrophobicContact CE-CB 4.1Å; M975-P1037 HydrophobicContact SD-CB 3.8Å; M975-P1037 HydrophobicContact SD-CG 4.44Å |
| 976 | S | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 3% | 0.028 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -70.1 | -52.3 | 176.5 | 167.7 | 0 | 0 | 0 | 0 | 112.7 | E762 T964 R972 T973 T978 L979 E980 | E762-S976 VanDerWaalsContact OE1-CB 3.25Å; E762-S976 WeakPolarHBondContact OE1-CB 3.33Å; E762-S976 PolarHBondContact OE1-OG 2.83Å; T964-S976 WeakPolarHBondContact CG2-OG 3.43Å; R972-S976 PolarHBondContact O-N 2.94Å; T973-S976 PolarHBondContact O-N 3.02Å; S976-T978 VanDerWaalsContact C-N 3.32Å; S976-T978 PolarHBondContact O-N 3.08Å; S976-L979 WeakPolarHBondContact O-CA 3.47Å; S976-L979 WeakPolarHBondContact O-CB 3.37Å; S976-L979 PolarHBondContact O-N 2.99Å; S976-E980 PolarHBondContact O-N 3.39Å |
| 977 | V | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | -177 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | N440 I457 T964 T973 L979 E980 Q981 R1008 | N440-V977 HydrophobicContact CB-CG1 3.85Å; I457-V977 HydrophobicContact CD1-CG1 4.16Å; I457-V977 HydrophobicContact CG2-CG2 4.02Å; T964-V977 HydrophobicContact CG2-CG2 4.39Å; T973-V977 HydrophobicContact CG2-CG2 3.77Å; T973-V977 WeakPolarHBondContact O-CB 3.49Å; T973-V977 VanDerWaalsContact O-CG2 3.25Å; T973-V977 WeakPolarHBondContact O-CG2 3.2Å; T973-V977 PolarHBondContact O-N 2.67Å; V977-L979 VanDerWaalsContact C-N 3.29Å; V977-L979 PolarHBondContact O-N 2.76Å; V977-E980 PolarHBondContact O-N 3.14Å; V977-Q981 HydrophobicContact CG1-CG 4.44Å; V977-Q981 WeakPolarHBondContact O-CB 3.31Å; V977-Q981 VanDerWaalsContact O-CG 3.25Å; V977-Q981 WeakPolarHBondContact O-CG 3.48Å; V977-Q981 PolarHBondContact O-N 3.26Å; V977-R1008 HydrophobicContact CG1-CG 4.45Å |
| 978 | T | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.6 | -28.6 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | A974 M975 S976 V982 L999 I1002 R1003 R1008 | A974-T978 WeakPolarHBondContact O-CB 3.45Å; A974-T978 VanDerWaalsContact O-CG2 3.32Å; A974-T978 WeakPolarHBondContact O-CG2 3.3Å; A974-T978 PolarHBondContact O-N 2.96Å; A974-T978 VanDerWaalsContact O-N 3.12Å; A974-T978 PolarHBondContact O-OG1 2.98Å; M975-T978 PolarHBondContact O-OG1 3.01Å; S976-T978 VanDerWaalsContact C-N 3.32Å; S976-T978 PolarHBondContact O-N 3.08Å; T978-V982 VanDerWaalsContact O-CG2 3.22Å; T978-V982 WeakPolarHBondContact O-CG2 3.45Å; T978-V982 PolarHBondContact O-N 3.41Å; T978-L999 WeakPolarHBondContact O-CD1 3.46Å; T978-I1002 HydrophobicContact CG2-CG2 3.74Å; T978-R1003 HydrophobicContact CG2-CG 4.06Å; T978-R1003 VanDerWaalsContact OG1-CG 3.28Å; T978-R1003 WeakPolarHBondContact OG1-CG 3.41Å; T978-R1003 PolarHBondContact OG1-NE 3.37Å; T978-R1008 HydrophobicContact CG2-CB 4.32Å; T978-R1008 HydrophobicContact CG2-CG 3.89Å |
| 979 | L | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -70.5 | -47.4 | 174 | -178.7 | 60.5 | 0 | 0 | 0 | 110.8 | M975 S976 V977 Q981 V982 Q983 F995 L999 L1034 Y1035 | M975-L979 VanDerWaalsContact O-CB 3.31Å; M975-L979 WeakPolarHBondContact O-CB 3.28Å; M975-L979 PolarHBondContact O-N 3.3Å; S976-L979 WeakPolarHBondContact O-CA 3.47Å; S976-L979 WeakPolarHBondContact O-CB 3.37Å; S976-L979 PolarHBondContact O-N 2.99Å; V977-L979 VanDerWaalsContact C-N 3.29Å; V977-L979 PolarHBondContact O-N 2.76Å; L979-Q981 VanDerWaalsContact C-N 3.34Å; L979-Q981 PolarHBondContact O-N 3.4Å; L979-V982 PolarHBondContact O-N 3.02Å; L979-Q983 HydrophobicContact CD1-CG 4.4Å; L979-Q983 WeakPolarHBondContact O-CB 3.41Å; L979-Q983 VanDerWaalsContact O-CG 3.29Å; L979-Q983 WeakPolarHBondContact O-CG 3.21Å; L979-Q983 PolarHBondContact O-N 3.23Å; L979-F995 HydrophobicContact CD1-CE1 4.38Å; L979-F995 HydrophobicContact CD1-CZ 3.92Å; L979-L999 HydrophobicContact CB-CD1 4.42Å; L979-L999 HydrophobicContact CD1-CD1 4.37Å; L979-L999 HydrophobicContact CD1-CD2 4.01Å; L979-L1034 HydrophobicContact CD1-CB 4.16Å; L979-L1034 HydrophobicContact CD1-CD1 4.36Å; L979-L1034 HydrophobicContact CD2-CB 4.05Å; L979-Y1035 HydrophobicContact CD2-CD2 4.19Å; L979-Y1035 HydrophobicContact CD2-CE2 3.73Å |
| 980 | E | 96.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.023 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 178 | -176 | 168.9 | 141.5 | 0 | 0 | 111.2 | H455 I457 S952 R962 S976 V977 V982 Q983 W984 | H455-E980 IonicContact CD2-OE1 3.75Å; H455-E980 IonicContact CE1-OE1 3.83Å; H455-E980 IonicContact NE2-OE1 3.02Å; H455-E980 PolarHBondContact NE2-OE1 2.73Å; I457-E980 HydrophobicContact CD1-CB 3.82Å; I457-E980 HydrophobicContact CD1-CG 3.79Å; I457-E980 HydrophobicContact CG1-CG 4.35Å; I457-E980 WeakPolarHBondContact CG1-OE1 3.44Å; S952-E980 PolarHBondContact OG-OE1 2.81Å; S952-E980 PolarHBondContact OG-OE2 2.87Å; S952-E980 VanDerWaalsContact OG-OE2 3.08Å; R962-E980 IonicContact CZ-OE2 3.58Å; R962-E980 IonicContact NE-OE1 2.91Å; R962-E980 PolarHBondContact NE-OE1 3Å; R962-E980 IonicContact NE-OE2 2.74Å; R962-E980 PolarHBondContact NE-OE2 3.33Å; R962-E980 IonicContact NH2-OE2 3.36Å; R962-E980 PolarHBondContact NH2-OE2 3.37Å; S976-E980 PolarHBondContact O-N 3.39Å; V977-E980 PolarHBondContact O-N 3.14Å; E980-V982 PolarHBondContact O-N 2.91Å; E980-Q983 PolarHBondContact O-N 2.89Å; E980-W984 WeakPolarHBondContact O-CB 3.49Å; E980-W984 PolarHBondContact O-N 3.28Å |
| 981 | Q | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.1 | -46.6 | 173.5 | -76.9 | 173.4 | -32.1 | 0 | 0 | 112.4 | E346 I442 I457 V977 L979 W984 L985 | E346-Q981 PolarHBondContact OE1-NE2 3.37Å; I442-Q981 HydrophobicContact CB-CB 4.26Å; I442-Q981 HydrophobicContact CB-CG 3.92Å; I442-Q981 HydrophobicContact CD1-CB 3.8Å; I442-Q981 HydrophobicContact CD1-CG 4.27Å; I442-Q981 HydrophobicContact CG2-CB 3.96Å; I442-Q981 HydrophobicContact CG2-CG 3.78Å; I457-Q981 HydrophobicContact CD1-CG 3.91Å; V977-Q981 HydrophobicContact CG1-CG 4.44Å; V977-Q981 WeakPolarHBondContact O-CB 3.31Å; V977-Q981 VanDerWaalsContact O-CG 3.25Å; V977-Q981 WeakPolarHBondContact O-CG 3.48Å; V977-Q981 PolarHBondContact O-N 3.26Å; L979-Q981 VanDerWaalsContact C-N 3.34Å; L979-Q981 PolarHBondContact O-N 3.4Å; Q981-W984 PolarHBondContact O-N 3.37Å; Q981-L985 WeakPolarHBondContact O-CG 3.36Å; Q981-L985 PolarHBondContact O-N 3.47Å |
| 982 | V | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.5 | -32.1 | -179.1 | 177 | 0 | 0 | 0 | 0 | 112 | T978 L979 E980 W984 L985 K986 M990 F995 A998 L999 I1002 | T978-V982 VanDerWaalsContact O-CG2 3.22Å; T978-V982 WeakPolarHBondContact O-CG2 3.45Å; T978-V982 PolarHBondContact O-N 3.41Å; L979-V982 PolarHBondContact O-N 3.02Å; E980-V982 PolarHBondContact O-N 2.91Å; V982-W984 VanDerWaalsContact C-N 3.34Å; V982-L985 PolarHBondContact O-N 2.85Å; V982-K986 PolarHBondContact O-N 3.32Å; V982-M990 HydrophobicContact CG1-CE 3.87Å; V982-F995 HydrophobicContact CB-CE2 4.47Å; V982-F995 HydrophobicContact CG1-CD2 3.67Å; V982-F995 HydrophobicContact CG1-CE2 3.7Å; V982-F995 HydrophobicContact CG1-CG 4.12Å; V982-F995 HydrophobicContact CG1-CZ 4.18Å; V982-A998 HydrophobicContact CG1-CB 4.13Å; V982-A998 HydrophobicContact CG2-CB 4.3Å; V982-L999 HydrophobicContact CB-CD1 4.37Å; V982-L999 HydrophobicContact CG1-CB 4.4Å; V982-L999 HydrophobicContact CG2-CB 4.29Å; V982-L999 HydrophobicContact CG2-CD1 4.03Å; V982-I1002 HydrophobicContact CG2-CD1 3.8Å |
| 983 | Q | 94.8 | Very high | 95.7 | Very high | 56 Ų | 56 | 27.8 Ų | 27.8 | 26% | 0.262 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 171.3 | -74.1 | 176.5 | -51.9 | 0 | 0 | 111.6 | L979 E980 K986 S987 F995 | L979-Q983 HydrophobicContact CD1-CG 4.4Å; L979-Q983 WeakPolarHBondContact O-CB 3.41Å; L979-Q983 VanDerWaalsContact O-CG 3.29Å; L979-Q983 WeakPolarHBondContact O-CG 3.21Å; L979-Q983 PolarHBondContact O-N 3.23Å; E980-Q983 PolarHBondContact O-N 2.89Å; Q983-K986 WeakPolarHBondContact O-CB 3.41Å; Q983-K986 PolarHBondContact O-N 2.88Å; Q983-S987 PolarHBondContact O-N 3.32Å; Q983-S987 VanDerWaalsContact O-N 3.07Å; Q983-F995 HydrophobicContact CG-CE2 4.02Å; Q983-F995 HydrophobicContact CG-CZ 4.12Å |
| 984 | W | 94.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 6% | 0.057 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 172.6 | 179.4 | 80.6 | 0 | 0 | 0 | 112 | I442 L444 S453 H455 E980 Q981 V982 K986 S987 E988 | I442-W984 HydrophobicContact CG2-CD2 4.28Å; I442-W984 HydrophobicContact CG2-CE3 3.51Å; I442-W984 HydrophobicContact CG2-CZ3 3.91Å; L444-W984 HydrophobicContact CD1-CH2 4.5Å; L444-W984 HydrophobicContact CG-CH2 3.98Å; L444-W984 HydrophobicContact CG-CZ3 4.17Å; S453-W984 WeakPolarHBondContact OG-CH2 3.3Å; S453-W984 WeakPolarHBondContact OG-CZ2 3.29Å; H455-W984 HydrophobicContact CB-CB 4.29Å; H455-W984 HydrophobicContact CB-CD2 3.53Å; H455-W984 HydrophobicContact CB-CE3 4.18Å; H455-W984 HydrophobicContact CB-CG 3.54Å; H455-W984 HydrophobicContact CB-CZ2 4.3Å; H455-W984 AromaticContact CG-CD1 3.88Å; H455-W984 AromaticContact CG-CG 3.9Å; E980-W984 WeakPolarHBondContact O-CB 3.49Å; E980-W984 PolarHBondContact O-N 3.28Å; Q981-W984 PolarHBondContact O-N 3.37Å; V982-W984 VanDerWaalsContact C-N 3.34Å; W984-K986 PolarHBondContact O-N 3.46Å; W984-S987 WeakPolarHBondContact CA-OG 3.28Å; W984-S987 WeakPolarHBondContact O-CA 3.34Å; W984-S987 WeakPolarHBondContact O-CB 3.37Å; W984-S987 PolarHBondContact O-N 2.9Å; W984-S987 PolarHBondContact O-OG 3.01Å; W984-E988 HydrophobicContact CD2-CG 3.93Å; W984-E988 HydrophobicContact CE3-CG 4.19Å; W984-E988 HydrophobicContact CH2-CG 3.79Å; W984-E988 HydrophobicContact CZ2-CG 3.46Å; W984-E988 VanDerWaalsContact CZ2-CG 3.46Å; W984-E988 HydrophobicContact CZ3-CG 4.14Å; W984-E988 WeakPolarHBondContact O-CG 3.4Å; W984-E988 PolarHBondContact O-N 2.9Å |
| 985 | L | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.5 | -38.7 | 174 | -70.6 | 176.6 | 0 | 0 | 0 | 112.6 | F334 I344 I442 L444 Q981 V982 S987 E988 G989 M990 I1002 | F334-L985 HydrophobicContact CD2-CD1 4.32Å; F334-L985 HydrophobicContact CE2-CD1 4.33Å; I344-L985 HydrophobicContact CD1-CD1 3.77Å; I344-L985 HydrophobicContact CD1-CD2 3.71Å; I344-L985 HydrophobicContact CD1-CG 4.37Å; I344-L985 HydrophobicContact CG1-CD1 4.49Å; I344-L985 HydrophobicContact CG1-CD2 3.72Å; I344-L985 HydrophobicContact CG2-CD1 4.46Å; I344-L985 HydrophobicContact CG2-CD2 4.2Å; I442-L985 HydrophobicContact CD1-CD1 3.64Å; I442-L985 HydrophobicContact CD1-CD2 4.1Å; I442-L985 HydrophobicContact CD1-CG 3.85Å; I442-L985 HydrophobicContact CG1-CD2 4.24Å; I442-L985 HydrophobicContact CG1-CG 4.47Å; L444-L985 HydrophobicContact CD2-CD2 3.9Å; Q981-L985 WeakPolarHBondContact O-CG 3.36Å; Q981-L985 PolarHBondContact O-N 3.47Å; V982-L985 PolarHBondContact O-N 2.85Å; L985-S987 VanDerWaalsContact C-N 3.32Å; L985-E988 PolarHBondContact O-N 3.22Å; L985-G989 PolarHBondContact O-N 3.06Å; L985-M990 HydrophobicContact CB-CB 4.18Å; L985-M990 HydrophobicContact CB-CE 4.03Å; L985-M990 HydrophobicContact CB-SD 4.01Å; L985-M990 HydrophobicContact CD1-SD 4.29Å; L985-M990 WeakPolarHBondContact O-CB 3.41Å; L985-M990 PolarHBondContact O-N 2.98Å; L985-I1002 HydrophobicContact CD1-CD1 4.47Å |
| 986 | K | 94.5 | Very high | 95.5 | Very high | 89 Ų | 89 | 33 Ų | 33 | 39% | 0.387 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 173.9 | 175.6 | 177.6 | 167.8 | 168.4 | 0 | 111.6 | V982 Q983 W984 E988 G989 M990 E992 F995 | V982-K986 PolarHBondContact O-N 3.32Å; Q983-K986 WeakPolarHBondContact O-CB 3.41Å; Q983-K986 PolarHBondContact O-N 2.88Å; W984-K986 PolarHBondContact O-N 3.46Å; K986-E988 VanDerWaalsContact C-N 3.29Å; K986-E988 PolarHBondContact O-N 3.04Å; K986-G989 PolarHBondContact O-N 3.32Å; K986-G989 VanDerWaalsContact O-N 3.15Å; K986-M990 HydrophobicContact CB-CE 4.3Å; K986-E992 VanDerWaalsContact CD-OE2 3.27Å; K986-E992 WeakPolarHBondContact CD-OE2 3.49Å; K986-E992 WeakPolarHBondContact CE-OE2 3.5Å; K986-E992 IonicContact NZ-OE1 2.93Å; K986-E992 PolarHBondContact NZ-OE1 3.46Å; K986-E992 IonicContact NZ-OE2 2.8Å; K986-E992 PolarHBondContact NZ-OE2 2.86Å; K986-F995 HydrophobicContact CB-CD2 4.33Å; K986-F995 HydrophobicContact CD-CD2 4.02Å; K986-F995 HydrophobicContact CD-CE2 4.37Å |
| 987 | S | 91.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.9 | -32.2 | 176.2 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | Q983 W984 L985 G989 | Q983-S987 PolarHBondContact O-N 3.32Å; Q983-S987 VanDerWaalsContact O-N 3.07Å; W984-S987 WeakPolarHBondContact CA-OG 3.28Å; W984-S987 WeakPolarHBondContact O-CA 3.34Å; W984-S987 WeakPolarHBondContact O-CB 3.37Å; W984-S987 PolarHBondContact O-N 2.9Å; W984-S987 PolarHBondContact O-OG 3.01Å; L985-S987 VanDerWaalsContact C-N 3.32Å; S987-G989 PolarHBondContact O-N 2.95Å |
| 988 | E | 91.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 36.4 Ų | 36.4 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.9 | 174.5 | -59.7 | -72 | 121.2 | 0 | 0 | 113.3 | M342 L444 S453 W984 L985 K986 | M342-E988 HydrophobicContact CE-CB 4.42Å; L444-E988 HydrophobicContact CD1-CB 3.57Å; L444-E988 HydrophobicContact CD1-CG 4Å; S453-E988 WeakPolarHBondContact CB-OE2 3.27Å; S453-E988 PolarHBondContact OG-OE2 3.4Å; W984-E988 HydrophobicContact CD2-CG 3.93Å; W984-E988 HydrophobicContact CE3-CG 4.19Å; W984-E988 HydrophobicContact CH2-CG 3.79Å; W984-E988 HydrophobicContact CZ2-CG 3.46Å; W984-E988 VanDerWaalsContact CZ2-CG 3.46Å; W984-E988 HydrophobicContact CZ3-CG 4.14Å; W984-E988 WeakPolarHBondContact O-CG 3.4Å; W984-E988 PolarHBondContact O-N 2.9Å; L985-E988 PolarHBondContact O-N 3.22Å; K986-E988 VanDerWaalsContact C-N 3.29Å; K986-E988 PolarHBondContact O-N 3.04Å |
| 989 | G | 93.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | 7.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | D336 S337 L985 K986 S987 H991 | D336-G989 CarbonylContact C-O 3.58Å; D336-G989 WeakPolarHBondContact CA-O 3.48Å; S337-G989 PolarHBondContact N-O 2.86Å; S337-G989 PolarHBondContact OG-O 2.81Å; L985-G989 PolarHBondContact O-N 3.06Å; K986-G989 PolarHBondContact O-N 3.32Å; K986-G989 VanDerWaalsContact O-N 3.15Å; S987-G989 PolarHBondContact O-N 2.95Å; G989-H991 PolarHBondContact O-N 2.77Å |
| 990 | M | 95.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -58.2 | 130.8 | 171.8 | -174.6 | -171.6 | 62.3 | 0 | 0 | 110.8 | F334 M342 V982 L985 K986 C994 F995 A998 | F334-M990 HydrophobicContact CB-CG 4.18Å; F334-M990 HydrophobicContact CB-SD 4.08Å; F334-M990 HydrophobicContact CD2-SD 3.98Å; F334-M990 HydrophobicContact CG-SD 4.11Å; M342-M990 HydrophobicContact CE-CB 4.35Å; M342-M990 WeakPolarHBondContact SD-CA 3.48Å; M342-M990 HydrophobicContact SD-CB 3.66Å; M342-M990 HydrophobicContact SD-CG 4.22Å; V982-M990 HydrophobicContact CG1-CE 3.87Å; L985-M990 HydrophobicContact CB-CB 4.18Å; L985-M990 HydrophobicContact CB-CE 4.03Å; L985-M990 HydrophobicContact CB-SD 4.01Å; L985-M990 HydrophobicContact CD1-SD 4.29Å; L985-M990 WeakPolarHBondContact O-CB 3.41Å; L985-M990 PolarHBondContact O-N 2.98Å; K986-M990 HydrophobicContact CB-CE 4.3Å; M990-C994 HydrophobicContact CG-CB 3.96Å; M990-C994 HydrophobicContact SD-CB 4.07Å; M990-F995 HydrophobicContact CE-CB 4.45Å; M990-F995 HydrophobicContact CE-CD2 4.36Å; M990-A998 HydrophobicContact CE-CB 4.34Å; M990-A998 HydrophobicContact SD-CB 3.88Å |
| 991 | H | 95.4 | Very high | 95.1 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | trans | -62.4 | 141.5 | -176.6 | -172.1 | -94.1 | 0 | 0 | 0 | 112.2 | Q335 D336 G989 S993 C994 | Q335-H991 PolarHBondContact O-N 3.36Å; D336-H991 WeakPolarHBondContact O-CB 3.38Å; G989-H991 PolarHBondContact O-N 2.77Å; H991-S993 PolarHBondContact CE1-OG 3.32Å; H991-S993 VanDerWaalsContact ND1-CB 3.34Å; H991-S993 WeakPolarHBondContact ND1-CB 3.42Å; H991-S993 PolarHBondContact ND1-N 2.76Å; H991-S993 VanDerWaalsContact ND1-N 3.12Å; H991-S993 PolarHBondContact ND1-OG 3.2Å; H991-S993 PolarHBondContact O-N 2.85Å; H991-S993 VanDerWaalsContact O-N 3.16Å; H991-C994 WeakPolarHBondContact O-CB 3.11Å; H991-C994 PolarHBondContact O-N 2.83Å | ||
| 992 | E | 93.9 | Very high | 95.1 | Very high | 111 Ų | 111 | 41.7 Ų | 41.7 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -56.2 | -37.7 | -175.8 | -170.6 | 66.7 | -176.4 | 0 | 0 | 113.1 | K986 C994 F995 | K986-E992 VanDerWaalsContact CD-OE2 3.27Å; K986-E992 WeakPolarHBondContact CD-OE2 3.49Å; K986-E992 WeakPolarHBondContact CE-OE2 3.5Å; K986-E992 IonicContact NZ-OE1 2.93Å; K986-E992 PolarHBondContact NZ-OE1 3.46Å; K986-E992 IonicContact NZ-OE2 2.8Å; K986-E992 PolarHBondContact NZ-OE2 2.86Å; E992-C994 PolarHBondContact O-N 2.95Å; E992-F995 VanDerWaalsContact O-CB 3.29Å; E992-F995 WeakPolarHBondContact O-CB 3.47Å; E992-F995 PolarHBondContact O-N 3.29Å; E992-F995 VanDerWaalsContact O-N 3.1Å |
| 993 | S | 94.3 | Very high | 95.1 | Very high | 81 Ų | 81 | 42 Ų | 42 | 57% | 0.566 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -63.3 | -24.4 | 178.1 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | H991 | H991-S993 PolarHBondContact CE1-OG 3.32Å; H991-S993 VanDerWaalsContact ND1-CB 3.34Å; H991-S993 WeakPolarHBondContact ND1-CB 3.42Å; H991-S993 PolarHBondContact ND1-N 2.76Å; H991-S993 VanDerWaalsContact ND1-N 3.12Å; H991-S993 PolarHBondContact ND1-OG 3.2Å; H991-S993 PolarHBondContact O-N 2.85Å; H991-S993 VanDerWaalsContact O-N 3.16Å |
| 994 | C | 95.4 | Very high | 95 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -80.5 | -17.6 | 177.9 | -71 | 0 | 0 | 0 | 0 | 112.7 | F334 M990 H991 E992 T996 K997 A998 | F334-C994 HydrophobicContact CB-CB 4.4Å; M990-C994 HydrophobicContact CG-CB 3.96Å; M990-C994 HydrophobicContact SD-CB 4.07Å; H991-C994 WeakPolarHBondContact O-CB 3.11Å; H991-C994 PolarHBondContact O-N 2.83Å; E992-C994 PolarHBondContact O-N 2.95Å; C994-T996 PolarHBondContact O-N 3.34Å; C994-K997 PolarHBondContact O-N 3.3Å; C994-K997 VanDerWaalsContact O-N 3.11Å; C994-A998 WeakPolarHBondContact O-CB 3.2Å; C994-A998 PolarHBondContact O-N 2.9Å |
| 995 | F | 96.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.4 | -52 | -171.6 | -174.9 | -86.5 | 0 | 0 | 0 | 113.2 | L979 V982 Q983 K986 M990 E992 A998 L999 L1034 | L979-F995 HydrophobicContact CD1-CE1 4.38Å; L979-F995 HydrophobicContact CD1-CZ 3.92Å; V982-F995 HydrophobicContact CB-CE2 4.47Å; V982-F995 HydrophobicContact CG1-CD2 3.67Å; V982-F995 HydrophobicContact CG1-CE2 3.7Å; V982-F995 HydrophobicContact CG1-CG 4.12Å; V982-F995 HydrophobicContact CG1-CZ 4.18Å; Q983-F995 HydrophobicContact CG-CE2 4.02Å; Q983-F995 HydrophobicContact CG-CZ 4.12Å; K986-F995 HydrophobicContact CB-CD2 4.33Å; K986-F995 HydrophobicContact CD-CD2 4.02Å; K986-F995 HydrophobicContact CD-CE2 4.37Å; M990-F995 HydrophobicContact CE-CB 4.45Å; M990-F995 HydrophobicContact CE-CD2 4.36Å; E992-F995 VanDerWaalsContact O-CB 3.29Å; E992-F995 WeakPolarHBondContact O-CB 3.47Å; E992-F995 PolarHBondContact O-N 3.29Å; E992-F995 VanDerWaalsContact O-N 3.1Å; F995-A998 PolarHBondContact O-N 2.94Å; F995-L999 HydrophobicContact CE1-CD2 4.39Å; F995-L999 WeakPolarHBondContact O-CB 3.28Å; F995-L999 PolarHBondContact O-N 3.34Å; F995-L1034 HydrophobicContact CE1-CD2 4.15Å |
| 996 | T | 95.7 | Very high | 94.8 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68 | -39.2 | -179.1 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | C994 L999 Q1000 | C994-T996 PolarHBondContact O-N 3.34Å; T996-L999 PolarHBondContact O-N 3.44Å; T996-Q1000 HydrophobicContact CG2-CG 4.47Å; T996-Q1000 WeakPolarHBondContact O-CB 3.41Å; T996-Q1000 VanDerWaalsContact O-CG 3.29Å; T996-Q1000 WeakPolarHBondContact O-CG 3.4Å; T996-Q1000 PolarHBondContact O-N 2.8Å |
| 997 | K | 94.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.3 | -46.3 | 178.1 | -169.4 | -172.4 | -173.5 | -157.3 | 0 | 111 | V219 S221 C994 Q1000 C1001 | V219-K997 PolarHBondContact O-NZ 3.33Å; S221-K997 WeakPolarHBondContact OG-CE 3.25Å; S221-K997 PolarHBondContact OG-NZ 2.84Å; C994-K997 PolarHBondContact O-N 3.3Å; C994-K997 VanDerWaalsContact O-N 3.11Å; K997-Q1000 PolarHBondContact O-N 2.99Å; K997-C1001 VanDerWaalsContact O-CB 3.28Å; K997-C1001 WeakPolarHBondContact O-CB 3.36Å; K997-C1001 PolarHBondContact O-N 2.65Å |
| 998 | A | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | F334 V982 M990 C994 F995 Q1000 C1001 I1002 | F334-A998 HydrophobicContact CD1-CB 4.01Å; F334-A998 HydrophobicContact CD2-CB 3.91Å; F334-A998 VanDerWaalsContact CE1-CA 3.46Å; F334-A998 HydrophobicContact CE1-CB 3.64Å; F334-A998 HydrophobicContact CE2-CB 3.59Å; F334-A998 HydrophobicContact CG-CB 4.17Å; F334-A998 VanDerWaalsContact CZ-CA 3.41Å; F334-A998 HydrophobicContact CZ-CB 3.47Å; F334-A998 VanDerWaalsContact CZ-CB 3.47Å; V982-A998 HydrophobicContact CG1-CB 4.13Å; V982-A998 HydrophobicContact CG2-CB 4.3Å; M990-A998 HydrophobicContact CE-CB 4.34Å; M990-A998 HydrophobicContact SD-CB 3.88Å; C994-A998 WeakPolarHBondContact O-CB 3.2Å; C994-A998 PolarHBondContact O-N 2.9Å; F995-A998 PolarHBondContact O-N 2.94Å; A998-Q1000 VanDerWaalsContact C-N 3.32Å; A998-Q1000 PolarHBondContact O-N 3.15Å; A998-C1001 PolarHBondContact O-N 3.14Å; A998-I1002 WeakPolarHBondContact O-CG1 3.43Å; A998-I1002 PolarHBondContact O-N 2.95Å |
| 999 | L | 97.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 177.9 | -170.1 | 60.8 | 0 | 0 | 0 | 112.6 | T978 L979 V982 F995 T996 R1003 L1034 | T978-L999 WeakPolarHBondContact O-CD1 3.46Å; L979-L999 HydrophobicContact CB-CD1 4.42Å; L979-L999 HydrophobicContact CD1-CD1 4.37Å; L979-L999 HydrophobicContact CD1-CD2 4.01Å; V982-L999 HydrophobicContact CB-CD1 4.37Å; V982-L999 HydrophobicContact CG1-CB 4.4Å; V982-L999 HydrophobicContact CG2-CB 4.29Å; V982-L999 HydrophobicContact CG2-CD1 4.03Å; F995-L999 HydrophobicContact CE1-CD2 4.39Å; F995-L999 WeakPolarHBondContact O-CB 3.28Å; F995-L999 PolarHBondContact O-N 3.34Å; T996-L999 PolarHBondContact O-N 3.44Å; L999-R1003 WeakPolarHBondContact O-CB 3.43Å; L999-R1003 VanDerWaalsContact O-CG 3.26Å; L999-R1003 WeakPolarHBondContact O-CG 3.47Å; L999-R1003 PolarHBondContact O-N 2.95Å; L999-L1034 HydrophobicContact CD2-CD2 4.45Å |
| 1000 | Q | 95.5 | Very high | 95.2 | Very high | 106 Ų | 106 | 30.8 Ų | 30.8 | 50% | 0.495 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69.1 | -42.4 | 176.6 | -71.9 | 174.7 | -11.5 | 0 | 0 | 112.4 | T996 K997 A998 S1004 P1038 | T996-Q1000 HydrophobicContact CG2-CG 4.47Å; T996-Q1000 WeakPolarHBondContact O-CB 3.41Å; T996-Q1000 VanDerWaalsContact O-CG 3.29Å; T996-Q1000 WeakPolarHBondContact O-CG 3.4Å; T996-Q1000 PolarHBondContact O-N 2.8Å; K997-Q1000 PolarHBondContact O-N 2.99Å; A998-Q1000 VanDerWaalsContact C-N 3.32Å; A998-Q1000 PolarHBondContact O-N 3.15Å; Q1000-S1004 VanDerWaalsContact O-CB 3.31Å; Q1000-S1004 WeakPolarHBondContact O-CB 3.49Å; Q1000-S1004 PolarHBondContact O-N 2.99Å; Q1000-S1004 PolarHBondContact O-OG 3.42Å; Q1000-P1038 HydrophobicContact CB-CG 4.21Å; Q1000-P1038 HydrophobicContact CG-CG 4.31Å |
| 1001 | C | 96.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -53 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | F334 K997 A998 R1003 S1004 T1005 | F334-C1001 HydrophobicContact CE1-CB 4.47Å; F334-C1001 HydrophobicContact CZ-CB 4.34Å; K997-C1001 VanDerWaalsContact O-CB 3.28Å; K997-C1001 WeakPolarHBondContact O-CB 3.36Å; K997-C1001 PolarHBondContact O-N 2.65Å; A998-C1001 PolarHBondContact O-N 3.14Å; C1001-R1003 PolarHBondContact O-N 2.82Å; C1001-S1004 PolarHBondContact O-N 2.87Å; C1001-S1004 PolarHBondContact O-OG 2.98Å; C1001-S1004 VanDerWaalsContact O-OG 3.08Å; C1001-T1005 PolarHBondContact O-N 3.33Å; C1001-T1005 PolarHBondContact O-OG1 2.89Å |
| 1002 | I | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | -178.8 | -62.8 | 174.2 | 0 | 0 | 0 | 110.6 | Y332 I442 T978 V982 L985 A998 S1004 G1006 | Y332-I1002 HydrophobicContact CD1-CG1 4.46Å; Y332-I1002 HydrophobicContact CD2-CG1 4.48Å; Y332-I1002 HydrophobicContact CE1-CG1 4.23Å; Y332-I1002 HydrophobicContact CE2-CG1 4.26Å; I442-I1002 HydrophobicContact CD1-CD1 4.17Å; T978-I1002 HydrophobicContact CG2-CG2 3.74Å; V982-I1002 HydrophobicContact CG2-CD1 3.8Å; L985-I1002 HydrophobicContact CD1-CD1 4.47Å; A998-I1002 WeakPolarHBondContact O-CG1 3.43Å; A998-I1002 PolarHBondContact O-N 2.95Å; I1002-S1004 VanDerWaalsContact C-N 3.34Å; I1002-S1004 PolarHBondContact O-N 3.23Å; I1002-G1006 WeakPolarHBondContact O-CA 3.45Å; I1002-G1006 PolarHBondContact O-N 3.1Å |
| 1003 | R | 96.2 | Very high | 94.9 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69 | -29.1 | 178.4 | -74.8 | 178.7 | 176.2 | 166.3 | 4.1 | 114.4 | M975 T978 L999 C1001 Y1021 L1034 R1036 P1038 | M975-R1003 HydrophobicContact CE-CG 4.44Å; M975-R1003 PolarHBondContact O-NH2 2.93Å; T978-R1003 HydrophobicContact CG2-CG 4.06Å; T978-R1003 VanDerWaalsContact OG1-CG 3.28Å; T978-R1003 WeakPolarHBondContact OG1-CG 3.41Å; T978-R1003 PolarHBondContact OG1-NE 3.37Å; L999-R1003 WeakPolarHBondContact O-CB 3.43Å; L999-R1003 VanDerWaalsContact O-CG 3.26Å; L999-R1003 WeakPolarHBondContact O-CG 3.47Å; L999-R1003 PolarHBondContact O-N 2.95Å; C1001-R1003 PolarHBondContact O-N 2.82Å; R1003-Y1021 WeakPolarHBondContact O-CE2 3.37Å; R1003-Y1021 PolarHBondContact O-OH 3.39Å; R1003-L1034 VanDerWaalsContact CZ-O 3.23Å; R1003-L1034 PolarHBondContact NH1-O 3.25Å; R1003-L1034 PolarHBondContact NH2-O 2.87Å; R1003-R1036 PolarHBondContact NH1-O 2.94Å; R1003-P1038 HydrophobicContact CB-CG 3.85Å |
| 1004 | S | 93.2 | Very high | 94.8 | Very high | 33 Ų | 33 | 24.3 Ų | 24.3 | 23% | 0.231 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -90.5 | -20.2 | -177.3 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | Q1000 C1001 I1002 L1009 | Q1000-S1004 VanDerWaalsContact O-CB 3.31Å; Q1000-S1004 WeakPolarHBondContact O-CB 3.49Å; Q1000-S1004 PolarHBondContact O-N 2.99Å; Q1000-S1004 PolarHBondContact O-OG 3.42Å; C1001-S1004 PolarHBondContact O-N 2.87Å; C1001-S1004 PolarHBondContact O-OG 2.98Å; C1001-S1004 VanDerWaalsContact O-OG 3.08Å; I1002-S1004 VanDerWaalsContact C-N 3.34Å; I1002-S1004 PolarHBondContact O-N 3.23Å; S1004-L1009 VanDerWaalsContact O-CD2 3.29Å; S1004-L1009 WeakPolarHBondContact O-CD2 3.04Å |
| 1005 | T | 92.6 | Very high | 94.6 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -134.1 | -10.2 | -173.2 | 66.3 | 0 | 0 | 0 | 0 | 115.3 | E210 K222 C1001 | E210-T1005 HydrophobicContact CB-CG2 3.68Å; K222-T1005 HydrophobicContact CD-CG2 4.08Å; C1001-T1005 PolarHBondContact O-N 3.33Å; C1001-T1005 PolarHBondContact O-OG1 2.89Å |
| 1006 | G | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -86.8 | 179.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y332 E346 I1002 R1008 L1009 | Y332-G1006 WeakPolarHBondContact OH-CA 3.4Å; Y332-G1006 PolarHBondContact OH-N 2.98Å; E346-G1006 WeakPolarHBondContact OE2-CA 3.37Å; I1002-G1006 WeakPolarHBondContact O-CA 3.45Å; I1002-G1006 PolarHBondContact O-N 3.1Å; G1006-R1008 PolarHBondContact O-N 2.77Å; G1006-L1009 WeakPolarHBondContact O-CB 3.21Å; G1006-L1009 PolarHBondContact O-N 3Å |
| 1007 | L | 95.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.1 | -24 | -165.6 | -66 | 177.2 | 0 | 0 | 0 | 113.4 | L328 K330 E346 M348 L1009 D1010 N1011 | L328-L1007 HydrophobicContact CB-CD1 4.25Å; L328-L1007 HydrophobicContact CB-CD2 3.53Å; L328-L1007 HydrophobicContact CD1-CD2 4.3Å; L328-L1007 WeakPolarHBondContact O-CD1 3.31Å; K330-L1007 HydrophobicContact CB-CG 4.35Å; K330-L1007 HydrophobicContact CD-CD2 4.43Å; K330-L1007 HydrophobicContact CG-CD2 3.58Å; K330-L1007 HydrophobicContact CG-CG 3.73Å; E346-L1007 HydrophobicContact CB-CD1 4.37Å; E346-L1007 HydrophobicContact CG-CD1 4Å; E346-L1007 HydrophobicContact CG-CG 4.36Å; E346-L1007 WeakPolarHBondContact O-CD1 3.31Å; E346-L1007 PolarHBondContact OE2-N 3.36Å; M348-L1007 HydrophobicContact CB-CB 3.77Å; M348-L1007 HydrophobicContact CB-CD1 3.65Å; M348-L1007 HydrophobicContact CB-CG 4.3Å; M348-L1007 HydrophobicContact CE-CB 4.28Å; M348-L1007 WeakPolarHBondContact CE-O 3.45Å; M348-L1007 VanDerWaalsContact N-CD1 3.25Å; M348-L1007 HydrophobicContact SD-CB 4.28Å; L1007-L1009 PolarHBondContact O-N 2.86Å; L1007-D1010 WeakPolarHBondContact O-CA 3.12Å; L1007-D1010 WeakPolarHBondContact O-CB 3.48Å; L1007-D1010 PolarHBondContact O-N 2.78Å; L1007-N1011 PolarHBondContact O-N 2.79Å |
| 1008 | R | 96.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -27.4 | 173.2 | -64.4 | -51.1 | -52.6 | 178.8 | -1.4 | 113.2 | N440 S459 A969 A974 V977 T978 G1006 N1011 V1012 | N440-R1008 VanDerWaalsContact OD1-CD 3.31Å; N440-R1008 WeakPolarHBondContact OD1-CD 3.45Å; N440-R1008 PolarHBondContact OD1-NH1 3.47Å; S459-R1008 PolarHBondContact OG-NH1 3.31Å; A969-R1008 PolarHBondContact O-NH2 2.89Å; A974-R1008 HydrophobicContact CB-CB 3.64Å; A974-R1008 HydrophobicContact CB-CG 4.18Å; V977-R1008 HydrophobicContact CG1-CG 4.45Å; T978-R1008 HydrophobicContact CG2-CB 4.32Å; T978-R1008 HydrophobicContact CG2-CG 3.89Å; G1006-R1008 PolarHBondContact O-N 2.77Å; R1008-N1011 PolarHBondContact NH2-ND2 3.38Å; R1008-V1012 WeakPolarHBondContact O-CG2 3.43Å; R1008-V1012 PolarHBondContact O-N 3.17Å |
| 1009 | L | 93.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -76.5 | -29.6 | 172.3 | -165.3 | 61.7 | 0 | 0 | 0 | 111.6 | S1004 G1006 L1007 V1012 M1013 R1019 Y1021 | S1004-L1009 VanDerWaalsContact O-CD2 3.29Å; S1004-L1009 WeakPolarHBondContact O-CD2 3.04Å; G1006-L1009 WeakPolarHBondContact O-CB 3.21Å; G1006-L1009 PolarHBondContact O-N 3Å; L1007-L1009 PolarHBondContact O-N 2.86Å; L1009-V1012 WeakPolarHBondContact O-CB 3.3Å; L1009-V1012 PolarHBondContact O-N 3.17Å; L1009-M1013 PolarHBondContact O-N 3.12Å; L1009-R1019 HydrophobicContact CD1-CB 4.33Å; L1009-R1019 HydrophobicContact CD2-CB 3.98Å; L1009-R1019 HydrophobicContact CG-CB 3.86Å; L1009-R1019 HydrophobicContact CG-CG 4.24Å; L1009-Y1021 HydrophobicContact CD1-CD2 4.24Å; L1009-Y1021 HydrophobicContact CD1-CE1 4.19Å; L1009-Y1021 HydrophobicContact CD1-CE2 3.84Å |
| 1010 | D | 92.6 | Very high | 92.3 | Very high | 14 Ų | 14 | 30.5 Ų | 30.5 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.9 | -37.9 | 173.2 | -63 | -10.7 | 0 | 0 | 0 | 110.9 | L328 L1007 V1012 M1013 K1014 R1019 | L328-D1010 HydrophobicContact CD1-CB 4.34Å; L1007-D1010 WeakPolarHBondContact O-CA 3.12Å; L1007-D1010 WeakPolarHBondContact O-CB 3.48Å; L1007-D1010 PolarHBondContact O-N 2.78Å; D1010-V1012 VanDerWaalsContact C-N 3.32Å; D1010-V1012 PolarHBondContact O-N 3.33Å; D1010-M1013 WeakPolarHBondContact O-CB 3.48Å; D1010-M1013 PolarHBondContact O-N 3.41Å; D1010-M1013 VanDerWaalsContact O-N 3.14Å; D1010-K1014 PolarHBondContact O-N 3.22Å; D1010-R1019 IonicContact OD1-CZ 3.72Å; D1010-R1019 IonicContact OD1-NE 3Å; D1010-R1019 IonicContact OD1-NH1 2.72Å; D1010-R1019 PolarHBondContact OD1-NH1 3.32Å; D1010-R1019 IonicContact OD1-NH2 3Å; D1010-R1019 PolarHBondContact OD1-NH2 3.16Å; D1010-R1019 IonicContact OD2-NH2 3.27Å |
| 1011 | N | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 169.6 | -177.9 | 32.5 | 0 | 0 | 0 | 112 | M348 H438 A969 L1007 R1008 M1013 K1014 N1015 | M348-N1011 HydrophobicContact CE-CB 3.97Å; M348-N1011 HydrophobicContact SD-CB 4.01Å; H438-N1011 PolarHBondContact NE2-OD1 3.11Å; A969-N1011 PolarHBondContact O-ND2 2.89Å; A969-N1011 VanDerWaalsContact O-ND2 3.14Å; L1007-N1011 PolarHBondContact O-N 2.79Å; R1008-N1011 PolarHBondContact NH2-ND2 3.38Å; N1011-M1013 VanDerWaalsContact C-N 3.29Å; N1011-M1013 PolarHBondContact O-N 2.98Å; N1011-K1014 PolarHBondContact O-N 3.29Å; N1011-N1015 WeakPolarHBondContact O-CB 3.38Å; N1011-N1015 PolarHBondContact O-N 2.95Å; N1011-N1015 PolarHBondContact O-ND2 3.42Å; N1011-N1015 PolarHBondContact OD1-ND2 3.28Å |
| 1012 | V | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | K970 R1008 L1009 D1010 N1015 T1016 K1018 K1020 Y1021 | K970-V1012 HydrophobicContact CD-CG1 4.32Å; K970-V1012 HydrophobicContact CG-CB 4.35Å; K970-V1012 HydrophobicContact CG-CG1 4.49Å; K970-V1012 HydrophobicContact CG-CG2 3.84Å; R1008-V1012 WeakPolarHBondContact O-CG2 3.43Å; R1008-V1012 PolarHBondContact O-N 3.17Å; L1009-V1012 WeakPolarHBondContact O-CB 3.3Å; L1009-V1012 PolarHBondContact O-N 3.17Å; D1010-V1012 VanDerWaalsContact C-N 3.32Å; D1010-V1012 PolarHBondContact O-N 3.33Å; V1012-N1015 PolarHBondContact O-N 3.08Å; V1012-T1016 HydrophobicContact CG1-CG2 4.42Å; V1012-T1016 WeakPolarHBondContact O-CB 3.24Å; V1012-T1016 PolarHBondContact O-N 2.87Å; V1012-T1016 PolarHBondContact O-OG1 3.17Å; V1012-K1018 CarbonylContact C-O 3.57Å; V1012-K1018 WeakPolarHBondContact CG1-O 3.38Å; V1012-K1020 WeakPolarHBondContact CG1-O 3.4Å; V1012-Y1021 HydrophobicContact CG2-CD1 3.56Å; V1012-Y1021 HydrophobicContact CG2-CE1 3.64Å |
| 1013 | M | 91.6 | Very high | 91.3 | Very high | 61 Ų | 61 | 26.7 Ų | 26.7 | 30% | 0.3 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 176.1 | -169.3 | 178 | -162.7 | 0 | 0 | 111.9 | T156 L1009 D1010 N1011 N1015 T1016 G1017 K1018 R1019 | T156-M1013 HydrophobicContact CG2-CE 4.32Å; L1009-M1013 PolarHBondContact O-N 3.12Å; D1010-M1013 WeakPolarHBondContact O-CB 3.48Å; D1010-M1013 PolarHBondContact O-N 3.41Å; D1010-M1013 VanDerWaalsContact O-N 3.14Å; N1011-M1013 VanDerWaalsContact C-N 3.29Å; N1011-M1013 PolarHBondContact O-N 2.98Å; M1013-N1015 PolarHBondContact O-N 2.8Å; M1013-T1016 PolarHBondContact O-N 3.22Å; M1013-G1017 VanDerWaalsContact O-CA 3.24Å; M1013-G1017 WeakPolarHBondContact O-CA 3.34Å; M1013-G1017 PolarHBondContact O-N 3.11Å; M1013-K1018 WeakPolarHBondContact CA-O 3.18Å; M1013-K1018 PolarHBondContact N-O 2.83Å; M1013-R1019 HydrophobicContact CB-CG 3.9Å; M1013-R1019 HydrophobicContact CG-CG 4.06Å; M1013-R1019 HydrophobicContact SD-CG 3.67Å; M1013-R1019 PolarHBondContact SD-NE 2.89Å |
| 1014 | K | 91 | Very high | 90.7 | Very high | 72 Ų | 72 | 28.7 Ų | 28.7 | 31% | 0.313 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.5 | -32.8 | 175.5 | -75 | -173.9 | 169.5 | -174.1 | 0 | 112.4 | E350 F419 D1010 N1011 | E350-K1014 IonicContact OE1-NZ 3.21Å; E350-K1014 PolarHBondContact OE1-NZ 3.07Å; F419-K1014 HydrophobicContact CE1-CD 4.21Å; F419-K1014 HydrophobicContact CZ-CB 3.99Å; F419-K1014 HydrophobicContact CZ-CD 4.43Å; D1010-K1014 PolarHBondContact O-N 3.22Å; N1011-K1014 PolarHBondContact O-N 3.29Å |
| 1015 | N | 91.8 | Very high | 90 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -84.9 | -31.3 | 180 | -82.6 | -94.8 | 0 | 0 | 0 | 114.7 | S421 S422 N436 K970 N1011 V1012 M1013 | S421-N1015 WeakPolarHBondContact CA-OD1 3.43Å; S422-N1015 WeakPolarHBondContact CB-OD1 3.46Å; S422-N1015 PolarHBondContact N-OD1 3.5Å; S422-N1015 PolarHBondContact OG-OD1 3.05Å; N436-N1015 PolarHBondContact ND2-ND2 3.44Å; N436-N1015 PolarHBondContact ND2-OD1 2.66Å; N436-N1015 PolarHBondContact OD1-ND2 3.48Å; N436-N1015 PolarHBondContact OD1-OD1 2.88Å; N436-N1015 VanDerWaalsContact OD1-OD1 3.13Å; K970-N1015 HydrophobicContact CD-CB 3.71Å; N1011-N1015 WeakPolarHBondContact O-CB 3.38Å; N1011-N1015 PolarHBondContact O-N 2.95Å; N1011-N1015 PolarHBondContact O-ND2 3.42Å; N1011-N1015 PolarHBondContact OD1-ND2 3.28Å; V1012-N1015 PolarHBondContact O-N 3.08Å; M1013-N1015 PolarHBondContact O-N 2.8Å |
| 1016 | T | 86.2 | Confident | 89.4 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -128.3 | -6.3 | -166.7 | 68 | 0 | 0 | 0 | 0 | 114.6 | K970 V1012 M1013 K1018 V1046 | K970-T1016 HydrophobicContact CD-CG2 3.97Å; V1012-T1016 HydrophobicContact CG1-CG2 4.42Å; V1012-T1016 WeakPolarHBondContact O-CB 3.24Å; V1012-T1016 PolarHBondContact O-N 2.87Å; V1012-T1016 PolarHBondContact O-OG1 3.17Å; M1013-T1016 PolarHBondContact O-N 3.22Å; T1016-K1018 PolarHBondContact O-N 2.91Å; T1016-K1018 PolarHBondContact OG1-N 3.3Å; T1016-K1018 PolarHBondContact OG1-O 2.91Å; T1016-V1046 HydrophobicContact CG2-CG1 3.8Å |
| 1017 | G | 85.5 | Confident | 88.8 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 71.5 | 2.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1013 | M1013-G1017 VanDerWaalsContact O-CA 3.24Å; M1013-G1017 WeakPolarHBondContact O-CA 3.34Å; M1013-G1017 PolarHBondContact O-N 3.11Å |
| 1018 | K | 84 | Confident | 88.4 | Confident | 105 Ų | 105 | 44.1 Ų | 44.1 | 46% | 0.457 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -130.9 | 139 | -175.8 | -62.5 | -178.6 | -175.1 | 176.1 | 0 | 112.1 | V1012 M1013 T1016 K1020 N1045 V1046 | V1012-K1018 CarbonylContact C-O 3.57Å; V1012-K1018 WeakPolarHBondContact CG1-O 3.38Å; M1013-K1018 WeakPolarHBondContact CA-O 3.18Å; M1013-K1018 PolarHBondContact N-O 2.83Å; T1016-K1018 PolarHBondContact O-N 2.91Å; T1016-K1018 PolarHBondContact OG1-N 3.3Å; T1016-K1018 PolarHBondContact OG1-O 2.91Å; K1018-K1020 PolarHBondContact O-N 2.9Å; K1018-K1020 VanDerWaalsContact O-N 3.1Å; K1018-N1045 PolarHBondContact NZ-O 2.97Å; K1018-V1046 HydrophobicContact CD-CG2 4.25Å |
| 1019 | R | 87 | Confident | 87.9 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 31% | 0.306 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -84.2 | 55.1 | 171.6 | -71.3 | -179.8 | 175.7 | -113 | 1.6 | 111.8 | L1009 D1010 M1013 | L1009-R1019 HydrophobicContact CD1-CB 4.33Å; L1009-R1019 HydrophobicContact CD2-CB 3.98Å; L1009-R1019 HydrophobicContact CG-CB 3.86Å; L1009-R1019 HydrophobicContact CG-CG 4.24Å; D1010-R1019 IonicContact OD1-CZ 3.72Å; D1010-R1019 IonicContact OD1-NE 3Å; D1010-R1019 IonicContact OD1-NH1 2.72Å; D1010-R1019 PolarHBondContact OD1-NH1 3.32Å; D1010-R1019 IonicContact OD1-NH2 3Å; D1010-R1019 PolarHBondContact OD1-NH2 3.16Å; D1010-R1019 IonicContact OD2-NH2 3.27Å; M1013-R1019 HydrophobicContact CB-CG 3.9Å; M1013-R1019 HydrophobicContact CG-CG 4.06Å; M1013-R1019 HydrophobicContact SD-CG 3.67Å; M1013-R1019 PolarHBondContact SD-NE 2.89Å |
| 1020 | K | 89.5 | Confident | 87.5 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -142.9 | 123.9 | 176 | -61.4 | -77.3 | 174.7 | 165.4 | 0 | 109.4 | V247 V1012 K1018 G1040 T1041 V1046 | V247-K1020 PolarHBondContact O-NZ 3.48Å; V1012-K1020 WeakPolarHBondContact CG1-O 3.4Å; K1018-K1020 PolarHBondContact O-N 2.9Å; K1018-K1020 VanDerWaalsContact O-N 3.1Å; K1020-G1040 WeakPolarHBondContact CD-O 3.37Å; K1020-G1040 WeakPolarHBondContact CE-O 3.49Å; K1020-G1040 PolarHBondContact NZ-O 3.31Å; K1020-T1041 CarbonylContact C-O 3.44Å; K1020-T1041 VanDerWaalsContact CA-O 3.25Å; K1020-T1041 WeakPolarHBondContact CA-O 3.28Å; K1020-V1046 HydrophobicContact CB-CG2 3.97Å |
| 1021 | Y | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -60 | 140.3 | 173 | -57.7 | -70.4 | 0 | 0 | 0 | 111 | D971 A974 M975 R1003 L1009 V1012 F1023 P1037 T1041 Y1042 S1043 | D971-Y1021 HydrophobicContact CB-CD1 4.38Å; D971-Y1021 WeakPolarHBondContact OD1-CA 3.4Å; A974-Y1021 HydrophobicContact CB-CD1 4.37Å; A974-Y1021 HydrophobicContact CB-CE1 3.58Å; M975-Y1021 HydrophobicContact CE-CD1 4Å; M975-Y1021 HydrophobicContact CE-CD2 3.98Å; M975-Y1021 HydrophobicContact CE-CE1 3.73Å; M975-Y1021 HydrophobicContact CE-CE2 3.72Å; M975-Y1021 HydrophobicContact CE-CG 4.13Å; R1003-Y1021 WeakPolarHBondContact O-CE2 3.37Å; R1003-Y1021 PolarHBondContact O-OH 3.39Å; L1009-Y1021 HydrophobicContact CD1-CD2 4.24Å; L1009-Y1021 HydrophobicContact CD1-CE1 4.19Å; L1009-Y1021 HydrophobicContact CD1-CE2 3.84Å; V1012-Y1021 HydrophobicContact CG2-CD1 3.56Å; V1012-Y1021 HydrophobicContact CG2-CE1 3.64Å; Y1021-F1023 VanDerWaalsContact C-N 3.27Å; Y1021-F1023 HydrophobicContact CG-CE2 4.35Å; Y1021-F1023 PolarHBondContact O-N 3.17Å; Y1021-P1037 HydrophobicContact CD2-CB 3.85Å; Y1021-P1037 HydrophobicContact CE2-CB 4.35Å; Y1021-T1041 VanDerWaalsContact CD2-O 3.24Å; Y1021-T1041 WeakPolarHBondContact CD2-O 3.48Å; Y1021-T1041 PolarHBondContact N-O 3.49Å; Y1021-Y1042 CarbonylContact O-C 3.54Å; Y1021-Y1042 WeakPolarHBondContact O-CA 3.37Å; Y1021-Y1042 WeakPolarHBondContact O-CB 3.23Å; Y1021-S1043 PolarHBondContact O-N 3.31Å |
| 1022 | A | 89.3 | Confident | 87.3 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -81.9 | 67.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D971 V1046 | D971-A1022 PolarHBondContact OD1-N 3.16Å; A1022-V1046 HydrophobicContact CB-CB 4.19Å; A1022-V1046 HydrophobicContact CB-CG1 4.37Å |
| 1023 | F | 87.1 | Confident | 87.2 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | trans | -126.2 | 151.1 | 175.1 | -58.9 | -62.5 | 0 | 0 | 0 | 111.5 | D971 R972 M975 Y1021 L1028 F1031 P1037 Y1042 S1043 | D971-F1023 HydrophobicContact CB-CD2 4.49Å; D971-F1023 HydrophobicContact CB-CE1 3.97Å; D971-F1023 HydrophobicContact CB-CE2 3.68Å; D971-F1023 HydrophobicContact CB-CZ 3.37Å; R972-F1023 HydrophobicContact CG-CE1 4.14Å; R972-F1023 HydrophobicContact CG-CZ 4.21Å; M975-F1023 HydrophobicContact CG-CE2 4.29Å; M975-F1023 HydrophobicContact CG-CZ 4.41Å; Y1021-F1023 VanDerWaalsContact C-N 3.27Å; Y1021-F1023 HydrophobicContact CG-CE2 4.35Å; Y1021-F1023 PolarHBondContact O-N 3.17Å; F1023-L1028 HydrophobicContact CB-CD1 4.21Å; F1023-L1028 HydrophobicContact CB-CD2 3.87Å; F1023-L1028 HydrophobicContact CB-CG 3.98Å; F1023-L1028 HydrophobicContact CD1-CD2 4.33Å; F1023-L1028 HydrophobicContact CD2-CD2 4.2Å; F1023-L1028 HydrophobicContact CG-CD2 3.9Å; F1023-F1031 HydrophobicContact CD1-CE1 4.35Å; F1023-F1031 HydrophobicContact CD1-CZ 4Å; F1023-F1031 AromaticContact CE1-CE1 3.73Å; F1023-F1031 HydrophobicContact CE1-CE1 3.73Å; F1023-F1031 AromaticContact CE1-CZ 3.56Å; F1023-F1031 HydrophobicContact CE1-CZ 3.56Å; F1023-F1031 AromaticContact CZ-CE1 3.95Å; F1023-F1031 HydrophobicContact CZ-CE1 3.95Å; F1023-F1031 HydrophobicContact CZ-CZ 4.26Å; F1023-P1037 HydrophobicContact CD2-CG 3.84Å; F1023-P1037 HydrophobicContact CE2-CG 4.3Å; F1023-Y1042 HydrophobicContact CB-CD2 4.5Å; F1023-Y1042 WeakPolarHBondContact O-CD2 3.24Å; F1023-S1043 CarbonylContact O-C 3.52Å | ||
| 1024 | N | 82.4 | Confident | 87.3 | Confident | 46 Ų | 46 | 61 Ų | 61 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | trans | -111 | 159.8 | 168.1 | 81 | 49.5 | 0 | 0 | 0 | 112 | L1026 Q1027 L1028 T1044 | N1024-L1026 VanDerWaalsContact C-N 3.29Å; N1024-L1026 PolarHBondContact O-N 3.28Å; N1024-L1026 WeakPolarHBondContact OD1-CA 3.3Å; N1024-L1026 WeakPolarHBondContact OD1-CB 3.41Å; N1024-L1026 PolarHBondContact OD1-N 2.84Å; N1024-Q1027 VanDerWaalsContact CG-OE1 3.3Å; N1024-Q1027 WeakPolarHBondContact ND2-CG 3.37Å; N1024-Q1027 PolarHBondContact ND2-OE1 3.25Å; N1024-Q1027 VanDerWaalsContact ND2-OE1 3.16Å; N1024-Q1027 WeakPolarHBondContact O-CB 3.28Å; N1024-Q1027 PolarHBondContact O-N 3.03Å; N1024-Q1027 WeakPolarHBondContact OD1-CG 3.32Å; N1024-Q1027 PolarHBondContact OD1-N 3.43Å; N1024-L1028 WeakPolarHBondContact O-CG 3.07Å; N1024-L1028 PolarHBondContact O-N 3.01Å; N1024-L1028 VanDerWaalsContact O-N 3.09Å; N1024-T1044 HydrophobicContact CB-CG2 3.32Å | ||
| 1025 | R | 79.9 | Confident | 87.5 | Confident | 179 Ų | 179 | 57.8 Ų | 57.8 | 68% | 0.675 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.3 | -35.8 | -174.4 | -171.2 | 178 | -178.4 | 177.2 | 2.1 | 112.8 | L1028 L1029 | R1025-L1028 PolarHBondContact O-N 3.48Å; R1025-L1029 PolarHBondContact O-N 3.36Å |
| 1026 | L | 78.7 | Confident | 87.6 | Confident | 140 Ų | 140 | 61.6 Ų | 61.6 | 73% | 0.733 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.8 | -41.9 | 179.1 | -71 | 166.4 | 0 | 0 | 0 | 111 | N1024 L1028 L1029 | N1024-L1026 VanDerWaalsContact C-N 3.29Å; N1024-L1026 PolarHBondContact O-N 3.28Å; N1024-L1026 WeakPolarHBondContact OD1-CA 3.3Å; N1024-L1026 WeakPolarHBondContact OD1-CB 3.41Å; N1024-L1026 PolarHBondContact OD1-N 2.84Å; L1026-L1028 VanDerWaalsContact C-N 3.34Å; L1026-L1028 PolarHBondContact O-N 2.97Å; L1026-L1029 HydrophobicContact CD2-CD1 4.36Å; L1026-L1029 WeakPolarHBondContact O-CB 3.35Å; L1026-L1029 PolarHBondContact O-N 3.02Å |
| 1027 | Q | 83.2 | Confident | 87.9 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 174.4 | -67.7 | 174.8 | -50.1 | 0 | 0 | 111 | E877 N1024 L1029 S1030 F1031 | E877-Q1027 HydrophobicContact CG-CG 4.24Å; E877-Q1027 PolarHBondContact OE1-NE2 3.12Å; E877-Q1027 WeakPolarHBondContact OE2-CB 3.36Å; E877-Q1027 WeakPolarHBondContact OE2-CG 3.42Å; E877-Q1027 PolarHBondContact OE2-NE2 2.88Å; N1024-Q1027 VanDerWaalsContact CG-OE1 3.3Å; N1024-Q1027 WeakPolarHBondContact ND2-CG 3.37Å; N1024-Q1027 PolarHBondContact ND2-OE1 3.25Å; N1024-Q1027 VanDerWaalsContact ND2-OE1 3.16Å; N1024-Q1027 WeakPolarHBondContact O-CB 3.28Å; N1024-Q1027 PolarHBondContact O-N 3.03Å; N1024-Q1027 WeakPolarHBondContact OD1-CG 3.32Å; N1024-Q1027 PolarHBondContact OD1-N 3.43Å; Q1027-L1029 PolarHBondContact O-N 2.93Å; Q1027-S1030 WeakPolarHBondContact O-CB 3.19Å; Q1027-S1030 PolarHBondContact O-N 3.33Å; Q1027-S1030 PolarHBondContact O-OG 2.71Å; Q1027-F1031 VanDerWaalsContact O-CD2 3.32Å; Q1027-F1031 WeakPolarHBondContact O-CD2 3.25Å |
| 1028 | L | 86.3 | Confident | 88.2 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -21.3 | -178.5 | -67.2 | 179.7 | 0 | 0 | 0 | 114 | F1023 N1024 R1025 L1026 S1030 F1031 R1036 P1037 Y1042 | F1023-L1028 HydrophobicContact CB-CD1 4.21Å; F1023-L1028 HydrophobicContact CB-CD2 3.87Å; F1023-L1028 HydrophobicContact CB-CG 3.98Å; F1023-L1028 HydrophobicContact CD1-CD2 4.33Å; F1023-L1028 HydrophobicContact CD2-CD2 4.2Å; F1023-L1028 HydrophobicContact CG-CD2 3.9Å; N1024-L1028 WeakPolarHBondContact O-CG 3.07Å; N1024-L1028 PolarHBondContact O-N 3.01Å; N1024-L1028 VanDerWaalsContact O-N 3.09Å; R1025-L1028 PolarHBondContact O-N 3.48Å; L1026-L1028 VanDerWaalsContact C-N 3.34Å; L1026-L1028 PolarHBondContact O-N 2.97Å; L1028-S1030 PolarHBondContact O-N 3.45Å; L1028-F1031 HydrophobicContact CD2-CD1 4.13Å; L1028-F1031 HydrophobicContact CD2-CD2 4.43Å; L1028-F1031 HydrophobicContact CD2-CE1 4.42Å; L1028-F1031 HydrophobicContact CD2-CG 4.15Å; L1028-F1031 PolarHBondContact O-N 3.11Å; L1028-F1031 VanDerWaalsContact O-N 3.14Å; L1028-R1036 PolarHBondContact O-NE 2.72Å; L1028-P1037 HydrophobicContact CD1-CG 3.85Å; L1028-P1037 VanDerWaalsContact CD2-CD 3.48Å; L1028-P1037 HydrophobicContact CD2-CG 4.05Å; L1028-Y1042 HydrophobicContact CD1-CD1 3.97Å; L1028-Y1042 HydrophobicContact CD1-CD2 3.89Å; L1028-Y1042 HydrophobicContact CD1-CE1 3.76Å; L1028-Y1042 HydrophobicContact CD1-CE2 3.69Å; L1028-Y1042 HydrophobicContact CD1-CG 4.02Å |
| 1029 | L | 86 | Confident | 88.1 | Confident | 115 Ų | 115 | 59 Ų | 59 | 60% | 0.602 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.4 | -31.5 | 171.8 | -68.2 | 175.2 | 0 | 0 | 0 | 111.7 | R1025 L1026 Q1027 F1031 R1036 | R1025-L1029 PolarHBondContact O-N 3.36Å; L1026-L1029 HydrophobicContact CD2-CD1 4.36Å; L1026-L1029 WeakPolarHBondContact O-CB 3.35Å; L1026-L1029 PolarHBondContact O-N 3.02Å; Q1027-L1029 PolarHBondContact O-N 2.93Å; L1029-F1031 VanDerWaalsContact C-N 3.33Å; L1029-R1036 PolarHBondContact O-NH2 3.27Å |
| 1030 | S | 85.7 | Confident | 87.8 | Confident | 29 Ų | 29 | 55.4 Ų | 55.4 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -15.9 | 175.7 | 79.2 | 0 | 0 | 0 | 0 | 113.3 | E877 K943 Q1027 L1028 | E877-S1030 WeakPolarHBondContact CA-OG 3.48Å; E877-S1030 PolarHBondContact N-OG 2.95Å; K943-S1030 PolarHBondContact NZ-O 2.8Å; Q1027-S1030 WeakPolarHBondContact O-CB 3.19Å; Q1027-S1030 PolarHBondContact O-N 3.33Å; Q1027-S1030 PolarHBondContact O-OG 2.71Å; L1028-S1030 PolarHBondContact O-N 3.45Å |
| 1031 | F | 90.6 | Very high | 87.7 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -77.7 | 141 | -177.3 | -81.8 | -133.6 | 0 | 0 | 0 | 110.3 | I875 R972 F1023 Q1027 L1028 L1029 R1036 | I875-F1031 HydrophobicContact CG2-CD1 3.68Å; I875-F1031 HydrophobicContact CG2-CE1 3.82Å; I875-F1031 HydrophobicContact CG2-CG 4.21Å; I875-F1031 HydrophobicContact CG2-CZ 4.45Å; I875-F1031 WeakPolarHBondContact O-CZ 3.26Å; R972-F1031 HydrophobicContact CG-CE1 4.25Å; R972-F1031 HydrophobicContact CG-CZ 4.24Å; F1023-F1031 HydrophobicContact CD1-CE1 4.35Å; F1023-F1031 HydrophobicContact CD1-CZ 4Å; F1023-F1031 AromaticContact CE1-CE1 3.73Å; F1023-F1031 HydrophobicContact CE1-CE1 3.73Å; F1023-F1031 AromaticContact CE1-CZ 3.56Å; F1023-F1031 HydrophobicContact CE1-CZ 3.56Å; F1023-F1031 AromaticContact CZ-CE1 3.95Å; F1023-F1031 HydrophobicContact CZ-CE1 3.95Å; F1023-F1031 HydrophobicContact CZ-CZ 4.26Å; Q1027-F1031 VanDerWaalsContact O-CD2 3.32Å; Q1027-F1031 WeakPolarHBondContact O-CD2 3.25Å; L1028-F1031 HydrophobicContact CD2-CD1 4.13Å; L1028-F1031 HydrophobicContact CD2-CD2 4.43Å; L1028-F1031 HydrophobicContact CD2-CE1 4.42Å; L1028-F1031 HydrophobicContact CD2-CG 4.15Å; L1028-F1031 PolarHBondContact O-N 3.11Å; L1028-F1031 VanDerWaalsContact O-N 3.14Å; L1029-F1031 VanDerWaalsContact C-N 3.33Å; F1031-R1036 HydrophobicContact CB-CG 3.96Å; F1031-R1036 PolarHBondContact O-NE 3.31Å; F1031-R1036 PolarHBondContact O-NH2 3.24Å |
| 1032 | P | 91.9 | Very high | 87.4 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 20% | 0.195 | 26% | 0.264 | C | S | . | . | trans | -55.3 | 145.4 | 167.1 | -22.9 | 33.9 | 0 | 0 | 0 | 110.8 | I875 K943 V945 L1034 Y1035 | I875-P1032 HydrophobicContact CD1-CG 4.26Å; K943-P1032 HydrophobicContact CB-CG 4.34Å; K943-P1032 HydrophobicContact CD-CG 4.27Å; V945-P1032 HydrophobicContact CG1-CB 4.39Å; V945-P1032 HydrophobicContact CG1-CG 3.77Å; P1032-L1034 VanDerWaalsContact C-N 3.31Å; P1032-L1034 PolarHBondContact O-N 3.33Å; P1032-Y1035 HydrophobicContact CB-CD2 4Å; P1032-Y1035 HydrophobicContact CG-CD2 4.36Å; P1032-Y1035 PolarHBondContact O-N 3.02Å | ||
| 1033 | R | 91.6 | Very high | 87 | Confident | 203 Ų | 203 | 56.6 Ų | 56.6 | 77% | 0.766 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -52.5 | -46.2 | -170.6 | -172.4 | -179.8 | 72.7 | 162.5 | 1.7 | 113 | Y1035 R1036 | R1033-Y1035 PolarHBondContact O-N 2.92Å; R1033-R1036 PolarHBondContact O-N 2.62Å |
| 1034 | L | 94.3 | Very high | 86.3 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -71.1 | -14.2 | -178.5 | -66.6 | 179.5 | 0 | 0 | 0 | 113.7 | L979 F995 L999 R1003 P1032 | L979-L1034 HydrophobicContact CD1-CB 4.16Å; L979-L1034 HydrophobicContact CD1-CD1 4.36Å; L979-L1034 HydrophobicContact CD2-CB 4.05Å; F995-L1034 HydrophobicContact CE1-CD2 4.15Å; L999-L1034 HydrophobicContact CD2-CD2 4.45Å; R1003-L1034 VanDerWaalsContact CZ-O 3.23Å; R1003-L1034 PolarHBondContact NH1-O 3.25Å; R1003-L1034 PolarHBondContact NH2-O 2.87Å; P1032-L1034 VanDerWaalsContact C-N 3.31Å; P1032-L1034 PolarHBondContact O-N 3.33Å |
| 1035 | Y | 94.9 | Very high | 85.2 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -95.7 | 6.7 | 178 | -75.6 | -100.9 | 0 | 0 | 0 | 112.9 | L764 I875 V945 M975 L979 P1032 R1033 | L764-Y1035 HydrophobicContact CD2-CE1 4.44Å; I875-Y1035 HydrophobicContact CG1-CD1 4.19Å; I875-Y1035 HydrophobicContact CG1-CE1 4.17Å; I875-Y1035 HydrophobicContact CG2-CD1 3.91Å; I875-Y1035 HydrophobicContact CG2-CG 4.06Å; V945-Y1035 HydrophobicContact CB-CE2 3.92Å; V945-Y1035 HydrophobicContact CG1-CD2 4.43Å; V945-Y1035 HydrophobicContact CG1-CE2 3.88Å; V945-Y1035 HydrophobicContact CG2-CE2 4.28Å; M975-Y1035 HydrophobicContact CB-CD1 4.17Å; M975-Y1035 VanDerWaalsContact CG-O 3.23Å; M975-Y1035 WeakPolarHBondContact CG-O 3.38Å; L979-Y1035 HydrophobicContact CD2-CD2 4.19Å; L979-Y1035 HydrophobicContact CD2-CE2 3.73Å; P1032-Y1035 HydrophobicContact CB-CD2 4Å; P1032-Y1035 HydrophobicContact CG-CD2 4.36Å; P1032-Y1035 PolarHBondContact O-N 3.02Å; R1033-Y1035 PolarHBondContact O-N 2.92Å |
| 1036 | R | 93.9 | Very high | 84.1 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 37% | 0.366 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 135 | 179.6 | -64.1 | 176.4 | -173.3 | 178.9 | -2.1 | 111.1 | R1003 L1028 L1029 F1031 R1033 | R1003-R1036 PolarHBondContact NH1-O 2.94Å; L1028-R1036 PolarHBondContact O-NE 2.72Å; L1029-R1036 PolarHBondContact O-NH2 3.27Å; F1031-R1036 HydrophobicContact CB-CG 3.96Å; F1031-R1036 PolarHBondContact O-NE 3.31Å; F1031-R1036 PolarHBondContact O-NH2 3.24Å; R1033-R1036 PolarHBondContact O-N 2.62Å |
| 1037 | P | 93.1 | Very high | 82.9 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 154.2 | 172.6 | 32.8 | -37.6 | 0 | 0 | 0 | 110.7 | M975 Y1021 F1023 L1028 Y1042 | M975-P1037 HydrophobicContact CE-CB 4.1Å; M975-P1037 HydrophobicContact SD-CB 3.8Å; M975-P1037 HydrophobicContact SD-CG 4.44Å; Y1021-P1037 HydrophobicContact CD2-CB 3.85Å; Y1021-P1037 HydrophobicContact CE2-CB 4.35Å; F1023-P1037 HydrophobicContact CD2-CG 3.84Å; F1023-P1037 HydrophobicContact CE2-CG 4.3Å; L1028-P1037 HydrophobicContact CD1-CG 3.85Å; L1028-P1037 VanDerWaalsContact CD2-CD 3.48Å; L1028-P1037 HydrophobicContact CD2-CG 4.05Å; P1037-Y1042 HydrophobicContact CB-CD1 4.28Å; P1037-Y1042 HydrophobicContact CG-CD1 3.65Å; P1037-Y1042 HydrophobicContact CG-CE1 4.37Å; P1037-Y1042 HydrophobicContact CG-CG 4.11Å |
| 1038 | P | 90 | Very high | 81.2 | Confident | 21 Ų | 21 | 57.7 Ų | 57.7 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 152.8 | 173.2 | -22.7 | 33.5 | 0 | 0 | 0 | 112.6 | Q1000 R1003 G1040 T1041 Y1042 | Q1000-P1038 HydrophobicContact CB-CG 4.21Å; Q1000-P1038 HydrophobicContact CG-CG 4.31Å; R1003-P1038 HydrophobicContact CB-CG 3.85Å; P1038-G1040 PolarHBondContact O-N 3.18Å; P1038-T1041 HydrophobicContact CB-CG2 3.97Å; P1038-T1041 WeakPolarHBondContact CD-OG1 3.43Å; P1038-T1041 HydrophobicContact CG-CG2 4.33Å; P1038-T1041 PolarHBondContact O-N 3.28Å; P1038-T1041 VanDerWaalsContact O-N 3.16Å; P1038-T1041 PolarHBondContact O-OG1 3.04Å; P1038-Y1042 WeakPolarHBondContact O-CD1 3.46Å |
| 1039 | M | 82.9 | Confident | 80.9 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 50% | 0.502 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 139.1 | 176 | -73.3 | -61.9 | -61.8 | 0 | 0 | 111.2 | T1041 Y1042 | M1039-T1041 PolarHBondContact O-N 2.65Å; M1039-Y1042 HydrophobicContact SD-CE1 4.1Å; M1039-Y1042 PolarHBondContact SD-OH 3.13Å |
| 1040 | G | 81.4 | Confident | 80.6 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -6.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1020 P1038 Y1042 | K1020-G1040 WeakPolarHBondContact CD-O 3.37Å; K1020-G1040 WeakPolarHBondContact CE-O 3.49Å; K1020-G1040 PolarHBondContact NZ-O 3.31Å; P1038-G1040 PolarHBondContact O-N 3.18Å; G1040-Y1042 VanDerWaalsContact C-N 3.34Å |
| 1041 | T | 87.2 | Confident | 80.3 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -89.6 | 2.7 | 175.3 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | K1020 Y1021 P1038 M1039 | K1020-T1041 CarbonylContact C-O 3.44Å; K1020-T1041 VanDerWaalsContact CA-O 3.25Å; K1020-T1041 WeakPolarHBondContact CA-O 3.28Å; Y1021-T1041 VanDerWaalsContact CD2-O 3.24Å; Y1021-T1041 WeakPolarHBondContact CD2-O 3.48Å; Y1021-T1041 PolarHBondContact N-O 3.49Å; P1038-T1041 HydrophobicContact CB-CG2 3.97Å; P1038-T1041 WeakPolarHBondContact CD-OG1 3.43Å; P1038-T1041 HydrophobicContact CG-CG2 4.33Å; P1038-T1041 PolarHBondContact O-N 3.28Å; P1038-T1041 VanDerWaalsContact O-N 3.16Å; P1038-T1041 PolarHBondContact O-OG1 3.04Å; M1039-T1041 PolarHBondContact O-N 2.65Å |
| 1042 | Y | 85.7 | Confident | 79.7 | Confident | 33 Ų | 33 | 62 Ų | 62 | 13% | 0.129 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -133.7 | 154.9 | -177.1 | 63.7 | -90.8 | 0 | 0 | 0 | 112.7 | Y1021 F1023 L1028 P1037 P1038 M1039 G1040 | Y1021-Y1042 CarbonylContact O-C 3.54Å; Y1021-Y1042 WeakPolarHBondContact O-CA 3.37Å; Y1021-Y1042 WeakPolarHBondContact O-CB 3.23Å; F1023-Y1042 HydrophobicContact CB-CD2 4.5Å; F1023-Y1042 WeakPolarHBondContact O-CD2 3.24Å; L1028-Y1042 HydrophobicContact CD1-CD1 3.97Å; L1028-Y1042 HydrophobicContact CD1-CD2 3.89Å; L1028-Y1042 HydrophobicContact CD1-CE1 3.76Å; L1028-Y1042 HydrophobicContact CD1-CE2 3.69Å; L1028-Y1042 HydrophobicContact CD1-CG 4.02Å; P1037-Y1042 HydrophobicContact CB-CD1 4.28Å; P1037-Y1042 HydrophobicContact CG-CD1 3.65Å; P1037-Y1042 HydrophobicContact CG-CE1 4.37Å; P1037-Y1042 HydrophobicContact CG-CG 4.11Å; P1038-Y1042 WeakPolarHBondContact O-CD1 3.46Å; M1039-Y1042 HydrophobicContact SD-CE1 4.1Å; M1039-Y1042 PolarHBondContact SD-OH 3.13Å; G1040-Y1042 VanDerWaalsContact C-N 3.34Å |
| 1043 | S | 81.1 | Confident | 79 | Confident | 41 Ų | 41 | 64 Ų | 64 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | trans | -154.2 | 150.6 | 179.6 | 177.9 | 0 | 0 | 0 | 0 | 112.9 | Y1021 F1023 N1045 | Y1021-S1043 PolarHBondContact O-N 3.31Å; F1023-S1043 CarbonylContact O-C 3.52Å; S1043-N1045 PolarHBondContact OG-N 2.99Å | ||
| 1044 | T | 71.1 | Confident | 78.1 | Confident | 96 Ų | 96 | 54.7 Ų | 54.7 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -26.9 | 174 | 48 | 0 | 0 | 0 | 0 | 113.5 | N1024 V1046 | N1024-T1044 HydrophobicContact CB-CG2 3.32Å; T1044-V1046 VanDerWaalsContact C-N 3.3Å; T1044-V1046 PolarHBondContact O-N 2.83Å |
| 1045 | N | 60.6 | Low | 77 | Confident | 125 Ų | 125 | 54.6 Ų | 54.6 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 26.1 | -168.6 | -62.4 | 0.1 | 0 | 0 | 0 | 112.7 | K1018 S1043 | K1018-N1045 PolarHBondContact NZ-O 2.97Å; S1043-N1045 PolarHBondContact OG-N 2.99Å |
| 1046 | V | 56.2 | Low | 75.6 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -102.2 | 112.1 | 172.9 | -174.3 | 0 | 0 | 0 | 0 | 105.9 | T1016 K1018 K1020 A1022 T1044 S1048 | T1016-V1046 HydrophobicContact CG2-CG1 3.8Å; K1018-V1046 HydrophobicContact CD-CG2 4.25Å; K1020-V1046 HydrophobicContact CB-CG2 3.97Å; A1022-V1046 HydrophobicContact CB-CB 4.19Å; A1022-V1046 HydrophobicContact CB-CG1 4.37Å; T1044-V1046 VanDerWaalsContact C-N 3.3Å; T1044-V1046 PolarHBondContact O-N 2.83Å; V1046-S1048 PolarHBondContact O-N 2.99Å |
| 1047 | S | 52.7 | Low | 74.1 | Confident | 98 Ų | 98 | 55.2 Ų | 55.2 | 69% | 0.685 | 33% | 0.334 | S | S | * | . | trans | -57.7 | 123.7 | 172.7 | 46.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1048 | S | 47.2 | Very low | 72.4 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 76% | 0.755 | 36% | 0.359 | S | S | * | . | trans | -69.6 | 0 | -177.6 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | S422 K970 V1046 | S422-S1048 PolarHBondContact OG-OXT 3.06Å; K970-S1048 PolarHBondContact NZ-OXT 3.27Å; V1046-S1048 PolarHBondContact O-N 2.99Å |
Retrieved 1,048 of 1,048 residues in 1019.6 ms
(Link to these results)