| 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 | 22.5 | Very low | 60.2 | Low | 240 Ų | 240 | 94.7 Ų | 94.7 | 100% | 1.182 | 50% | 0.5 | S | S | * | . | 0 | 106.5 | 0 | -74.4 | 176.3 | 158.9 | 0 | 0 | 106.9 | |||||
| 2 | T | 28.4 | Very low | 61.6 | Low | 133 Ų | 133 | 100.4 Ų | 100.4 | 82% | 0.816 | 51% | 0.509 | S | S | * | . | trans | -63.9 | 128.1 | 166.2 | 39.4 | 0 | 0 | 0 | 0 | 107.1 | E4 | T2-E4 PolarHBondContact O-N 2.65Š| ||
| 3 | P | 31.9 | Very low | 62.7 | Low | 115 Ų | 115 | 100.4 Ų | 100.4 | 75% | 0.747 | 51% | 0.511 | S | S | * | . | trans | -54.7 | 138.2 | 176.1 | 22.2 | -30.6 | 0 | 0 | 0 | 108.8 | R5 | P3-R5 PolarHBondContact O-N 3.22Š| ||
| 4 | E | 34.7 | Very low | 63.7 | Low | 195 Ų | 195 | 99.1 Ų | 99.1 | 91% | 0.911 | 52% | 0.516 | S | S | * | . | trans | -53.4 | 114.7 | 173.9 | -74.2 | -176.3 | 155.5 | 0 | 0 | 107.9 | T2 G6 | T2-E4 PolarHBondContact O-N 2.65Å; E4-G6 PolarHBondContact O-N 3.45Å | ||
| 5 | R | 51.5 | Low | 65.1 | Low | 146 Ų | 146 | 95.4 Ų | 95.4 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | trans | -63.9 | 129.9 | -179.7 | -72.1 | -177.4 | 175.3 | 179.5 | -4.5 | 108.8 | P3 I154 N155 | P3-R5 PolarHBondContact O-N 3.22Å; R5-I154 WeakPolarHBondContact O-CD1 3.5Å; R5-N155 PolarHBondContact NH1-OD1 3.3Å | ||
| 6 | G | 72.9 | Confident | 66.6 | Low | 25 Ų | 25 | 90.3 Ų | 90.3 | 26% | 0.258 | 47% | 0.471 | S | S | . | . | trans | -102.2 | -174.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E4 D122 | E4-G6 PolarHBondContact O-N 3.45Å; G6-D122 WeakPolarHBondContact CA-OD2 3.41Å; G6-D122 VanDerWaalsContact N-CG 3.33Å; G6-D122 PolarHBondContact N-OD1 3.29Å; G6-D122 PolarHBondContact N-OD2 3.35Å | ||
| 7 | I | 81.1 | Confident | 68.1 | Low | 52 Ų | 52 | 85.2 Ų | 85.2 | 27% | 0.267 | 45% | 0.445 | S | S | . | . | trans | -126 | 127.9 | 163.7 | -57.5 | 171.1 | 0 | 0 | 0 | 105.8 | L9 P123 L125 L147 I154 L157 | I7-L9 HydrophobicContact CB-CD2 4.49Å; I7-L9 HydrophobicContact CG2-CD2 3.54Å; I7-L9 HydrophobicContact CG2-CG 4.32Å; I7-P123 HydrophobicContact CG1-CG 4.23Å; I7-P123 HydrophobicContact CG2-CG 4.34Å; I7-L125 HydrophobicContact CG2-CD1 4Å; I7-L125 HydrophobicContact CG2-CG 4.08Å; I7-L147 HydrophobicContact CD1-CD1 3.8Å; I7-I154 HydrophobicContact CD1-CG1 4.09Å; I7-I154 HydrophobicContact CG1-CD1 4.15Å; I7-I154 HydrophobicContact CG1-CG1 3.93Å; I7-I154 HydrophobicContact CG1-CG2 4.29Å; I7-L157 HydrophobicContact CD1-CD2 3.68Å; I7-L157 HydrophobicContact CG1-CD2 4.01Å; I7-L157 HydrophobicContact CG2-CD2 4.11Å | ||
| 8 | C | 86.3 | Confident | 69.4 | Low | 29 Ų | 29 | 81.9 Ų | 81.9 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 112.1 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | T119 P123 I124 L125 | C8-T119 HydrophobicContact CB-CG2 4.33Å; C8-P123 PolarHBondContact N-O 3.48Å; C8-I124 HydrophobicContact CB-CG1 4.28Å; C8-I124 WeakPolarHBondContact O-CA 3.28Å; C8-L125 PolarHBondContact O-N 3.36Å |
| 9 | L | 88.1 | Confident | 70.4 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 18% | 0.183 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.2 | 178.1 | -55.4 | -178.8 | 0 | 0 | 0 | 110 | I7 L125 T127 S140 L143 K144 | I7-L9 HydrophobicContact CB-CD2 4.49Å; I7-L9 HydrophobicContact CG2-CD2 3.54Å; I7-L9 HydrophobicContact CG2-CG 4.32Å; L9-L125 WeakPolarHBondContact CA-O 3.45Å; L9-L125 HydrophobicContact CD2-CB 3.92Å; L9-L125 HydrophobicContact CD2-CD1 4.33Å; L9-T127 HydrophobicContact CB-CG2 4.3Å; L9-T127 HydrophobicContact CD2-CG2 3.81Å; L9-T127 HydrophobicContact CG-CG2 4.46Å; L9-S140 VanDerWaalsContact CD1-OG 3.26Å; L9-S140 WeakPolarHBondContact CD1-OG 2.9Å; L9-L143 HydrophobicContact CD2-CD2 3.84Å; L9-K144 HydrophobicContact CD1-CD 4.45Å; L9-K144 VanDerWaalsContact CD1-CE 3.45Å; L9-K144 HydrophobicContact CD1-CG 4.23Å |
| 10 | I | 87.2 | Confident | 71.2 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 106.4 | 173.7 | -55.7 | 171.9 | 0 | 0 | 0 | 107.4 | N15 L17 H18 I124 L125 F126 T127 L182 | I10-N15 HydrophobicContact CG2-CB 4.3Å; I10-L17 HydrophobicContact CD1-CB 3.6Å; I10-L17 HydrophobicContact CD1-CD1 4.25Å; I10-L17 HydrophobicContact CG1-CB 4.27Å; I10-H18 HydrophobicContact CG2-CB 3.93Å; I10-I124 HydrophobicContact CD1-CG2 3.52Å; I10-I124 HydrophobicContact CG1-CG2 4.18Å; I10-L125 PolarHBondContact N-O 2.9Å; I10-F126 HydrophobicContact CB-CD2 3.77Å; I10-F126 HydrophobicContact CB-CE2 4.2Å; I10-F126 HydrophobicContact CD1-CD2 4.41Å; I10-F126 HydrophobicContact CG2-CD2 3.64Å; I10-F126 HydrophobicContact CG2-CE2 3.53Å; I10-T127 PolarHBondContact O-N 3.14Å; I10-T127 PolarHBondContact O-OG1 3.45Å; I10-L182 HydrophobicContact CD1-CD1 3.59Å |
| 11 | D | 78 | Confident | 72 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 38% | 0.38 | 39% | 0.385 | S | S | . | . | trans | -119.7 | -26.8 | -173.6 | 65.7 | -20 | 0 | 0 | 0 | 114.2 | T127 | D11-T127 WeakPolarHBondContact CB-OG1 3.48Š| ||
| 12 | R | 77.2 | Confident | 74.9 | Confident | 163 Ų | 163 | 69.1 Ų | 69.1 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -123.7 | 146.8 | -175.5 | -64.1 | 178.3 | -171.1 | -164.1 | -0.9 | 111.6 | S14 N15 H18 | R12-S14 WeakPolarHBondContact CB-OG 3.35Å; R12-S14 PolarHBondContact O-N 3.5Å; R12-S14 VanDerWaalsContact O-N 3.1Å; R12-N15 VanDerWaalsContact O-CB 3.27Å; R12-N15 WeakPolarHBondContact O-CB 3.37Å; R12-N15 PolarHBondContact O-N 3.43Å; R12-H18 PolarHBondContact O-CD2 2.84Å |
| 13 | N | 75.2 | Confident | 77.6 | Confident | 100 Ų | 100 | 63.7 Ų | 63.7 | 54% | 0.535 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.3 | 172.4 | 63.8 | -2.4 | 0 | 0 | 0 | 114.4 | N15 A20 | N13-N15 VanDerWaalsContact C-N 3.28Å; N13-A20 HydrophobicContact CB-CB 4.15Å |
| 14 | S | 76.6 | Confident | 80.1 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16.2 | 170.3 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | R12 Y21 | R12-S14 WeakPolarHBondContact CB-OG 3.35Å; R12-S14 PolarHBondContact O-N 3.5Å; R12-S14 VanDerWaalsContact O-N 3.1Å; S14-Y21 WeakPolarHBondContact O-CE2 3.45Å |
| 15 | N | 85.5 | Confident | 82.8 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -73.6 | 129.2 | 175.8 | -173.6 | -38.3 | 0 | 0 | 0 | 109.3 | I10 R12 N13 L17 H18 Y21 | I10-N15 HydrophobicContact CG2-CB 4.3Å; R12-N15 VanDerWaalsContact O-CB 3.27Å; R12-N15 WeakPolarHBondContact O-CB 3.37Å; R12-N15 PolarHBondContact O-N 3.43Å; N13-N15 VanDerWaalsContact C-N 3.28Å; N15-L17 PolarHBondContact O-N 3.31Å; N15-L17 VanDerWaalsContact O-N 3.12Å; N15-L17 PolarHBondContact OD1-N 2.96Å; N15-H18 HydrophobicContact CB-CB 4.37Å; N15-H18 WeakPolarHBondContact O-CB 3.41Å; N15-H18 PolarHBondContact O-N 3.13Å; N15-Y21 WeakPolarHBondContact O-CB 3.49Å; N15-Y21 WeakPolarHBondContact O-CD2 3.44Å |
| 16 | V | 89.1 | Confident | 84.6 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 9% | 0.085 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -35.2 | -178.8 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | H18 Y21 R105 Q111 F112 E115 | V16-H18 VanDerWaalsContact C-N 3.29Å; V16-H18 PolarHBondContact O-N 3.11Å; V16-Y21 HydrophobicContact CB-CE2 4.46Å; V16-Y21 HydrophobicContact CG1-CE1 4.38Å; V16-Y21 HydrophobicContact CG2-CE1 4.44Å; V16-Y21 HydrophobicContact CG2-CE2 3.98Å; V16-R105 PolarHBondContact O-NH1 3.2Å; V16-R105 PolarHBondContact O-NH2 2.66Å; V16-Q111 HydrophobicContact CG1-CG 4.18Å; V16-Q111 HydrophobicContact CG2-CG 4.4Å; V16-F112 HydrophobicContact CG1-CB 4.13Å; V16-F112 HydrophobicContact CG1-CD2 4.43Å; V16-E115 HydrophobicContact CB-CG 4.15Å; V16-E115 HydrophobicContact CG1-CB 4.49Å; V16-E115 HydrophobicContact CG1-CG 4.2Å; V16-E115 HydrophobicContact CG2-CG 4.26Å |
| 17 | L | 91.7 | Very high | 85.3 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -9.2 | -178.5 | -58.1 | -177.4 | 0 | 0 | 0 | 114.2 | I10 N15 F112 E115 L116 T119 L182 | I10-L17 HydrophobicContact CD1-CB 3.6Å; I10-L17 HydrophobicContact CD1-CD1 4.25Å; I10-L17 HydrophobicContact CG1-CB 4.27Å; N15-L17 PolarHBondContact O-N 3.31Å; N15-L17 VanDerWaalsContact O-N 3.12Å; N15-L17 PolarHBondContact OD1-N 2.96Å; L17-F112 HydrophobicContact CD2-CD2 3.73Å; L17-F112 HydrophobicContact CD2-CE2 3.64Å; L17-F112 HydrophobicContact CD2-CG 4.47Å; L17-F112 HydrophobicContact CD2-CZ 4.29Å; L17-E115 HydrophobicContact CD2-CB 4.17Å; L17-L116 HydrophobicContact CD1-CD1 4.39Å; L17-L116 HydrophobicContact CD2-CB 3.83Å; L17-L116 HydrophobicContact CD2-CD1 4.3Å; L17-T119 HydrophobicContact CD1-CG2 3.95Å; L17-L182 HydrophobicContact CB-CD1 4.25Å |
| 18 | H | 91.2 | Very high | 85.4 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 12% | 0.116 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -71.8 | 142.7 | -178.8 | -169.3 | -79.6 | 0 | 0 | 0 | 111.4 | I10 R12 N15 V16 A20 Y21 F126 | I10-H18 HydrophobicContact CG2-CB 3.93Å; R12-H18 PolarHBondContact O-CD2 2.84Å; N15-H18 HydrophobicContact CB-CB 4.37Å; N15-H18 WeakPolarHBondContact O-CB 3.41Å; N15-H18 PolarHBondContact O-N 3.13Å; V16-H18 VanDerWaalsContact C-N 3.29Å; V16-H18 PolarHBondContact O-N 3.11Å; H18-A20 VanDerWaalsContact C-N 3.3Å; H18-A20 WeakPolarHBondContact ND1-CB 3.39Å; H18-A20 PolarHBondContact ND1-N 3.47Å; H18-A20 PolarHBondContact O-N 3.16Å; H18-Y21 VanDerWaalsContact O-CB 3.26Å; H18-Y21 WeakPolarHBondContact O-CB 3.47Å; H18-Y21 PolarHBondContact O-N 3.36Å; H18-F126 AromaticContact CD2-CE2 3.54Å; H18-F126 AromaticContact CD2-CZ 3.46Å; H18-F126 VanDerWaalsContact CD2-CZ 3.46Å; H18-F126 WeakPolarHBondContact CD2-CZ 3.49Å; H18-F126 AromaticContact NE2-CE2 3.95Å; H18-F126 AromaticContact NE2-CZ 3.35Å; H18-F126 WeakPolarHBondContact NE2-CZ 3.43Å |
| 19 | P | 89.2 | Confident | 85.2 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -33.2 | -176.7 | 21.3 | -30.1 | 0 | 0 | 0 | 113.3 | Y21 S34 V35 D36 M98 Y102 F126 L178 | P19-Y21 VanDerWaalsContact C-N 3.31Å; P19-Y21 PolarHBondContact O-N 2.85Å; P19-S34 WeakPolarHBondContact O-CB 3.49Å; P19-V35 HydrophobicContact CB-CB 4.23Å; P19-V35 HydrophobicContact CB-CG1 4.03Å; P19-V35 WeakPolarHBondContact O-CB 3.21Å; P19-V35 PolarHBondContact O-N 3.47Å; P19-V35 VanDerWaalsContact O-N 3.08Å; P19-D36 HydrophobicContact CB-CB 4.39Å; P19-D36 PolarHBondContact O-N 3.29Å; P19-M98 HydrophobicContact CB-CE 4.5Å; P19-M98 HydrophobicContact CB-SD 4.07Å; P19-Y102 WeakPolarHBondContact CB-OH 3.38Å; P19-Y102 WeakPolarHBondContact CD-OH 3.16Å; P19-F126 VanDerWaalsContact CD-CE2 3.5Å; P19-F126 HydrophobicContact CG-CE2 4.29Å; P19-F126 HydrophobicContact CG-CZ 4.12Å; P19-L178 HydrophobicContact CG-CD1 4.43Å |
| 20 | A | 85.8 | Confident | 85.1 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 5.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | N13 H18 K22 F62 | N13-A20 HydrophobicContact CB-CB 4.15Å; H18-A20 VanDerWaalsContact C-N 3.3Å; H18-A20 WeakPolarHBondContact ND1-CB 3.39Å; H18-A20 PolarHBondContact ND1-N 3.47Å; H18-A20 PolarHBondContact O-N 3.16Å; A20-K22 PolarHBondContact O-N 3.36Å; A20-F62 HydrophobicContact CB-CE2 4.34Å |
| 21 | Y | 87.6 | Confident | 85.1 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | trans | -65.4 | 126.9 | 176.4 | -176.7 | -91.8 | 0 | 0 | 0 | 110.4 | S14 N15 V16 H18 P19 C23 | S14-Y21 WeakPolarHBondContact O-CE2 3.45Å; N15-Y21 WeakPolarHBondContact O-CB 3.49Å; N15-Y21 WeakPolarHBondContact O-CD2 3.44Å; V16-Y21 HydrophobicContact CB-CE2 4.46Å; V16-Y21 HydrophobicContact CG1-CE1 4.38Å; V16-Y21 HydrophobicContact CG2-CE1 4.44Å; V16-Y21 HydrophobicContact CG2-CE2 3.98Å; H18-Y21 VanDerWaalsContact O-CB 3.26Å; H18-Y21 WeakPolarHBondContact O-CB 3.47Å; H18-Y21 PolarHBondContact O-N 3.36Å; P19-Y21 VanDerWaalsContact C-N 3.31Å; P19-Y21 PolarHBondContact O-N 2.85Å; Y21-C23 HydrophobicContact CD1-CB 4.17Å; Y21-C23 HydrophobicContact CE1-CB 4.42Å; Y21-C23 PolarHBondContact O-N 3.43Å; Y21-C23 PolarHBondContact O-SG 2.78Å | ||
| 22 | K | 84.1 | Confident | 85.6 | Confident | 141 Ų | 141 | 57.2 Ų | 57.2 | 61% | 0.613 | 33% | 0.326 | S | S | * | . | trans | -69.1 | 114.4 | -177.9 | -69.9 | -167.7 | 178.3 | -171.1 | 0 | 110.8 | A20 C33 | A20-K22 PolarHBondContact O-N 3.36Å; K22-C33 CarbonylContact C-O 3.55Å; K22-C33 WeakPolarHBondContact CA-O 3.47Å | ||
| 23 | C | 83.9 | Confident | 86 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 13% | 0.128 | 32% | 0.318 | C | S | . | . | trans | -155.5 | 148.9 | 178.3 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | Y21 F32 C33 R105 | Y21-C23 HydrophobicContact CD1-CB 4.17Å; Y21-C23 HydrophobicContact CE1-CB 4.42Å; Y21-C23 PolarHBondContact O-N 3.43Å; Y21-C23 PolarHBondContact O-SG 2.78Å; C23-F32 VanDerWaalsContact O-O 3.13Å; C23-C33 PolarHBondContact N-O 3.49Å; C23-C33 CarbonylContact O-C 3.44Å; C23-C33 WeakPolarHBondContact O-CA 3.31Å; C23-R105 VanDerWaalsContact SG-CZ 3.5Å; C23-R105 PolarHBondContact SG-NE 2.95Å | ||
| 24 | S | 85.2 | Confident | 86.7 | Confident | 97 Ų | 97 | 48.1 Ų | 48.1 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | trans | -98.4 | 120.9 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | F32 | S24-F32 WeakPolarHBondContact CA-O 3.13Š| ||
| 25 | F | 90.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 162.2 | 169 | 64.8 | -83.9 | 0 | 0 | 0 | 109.6 | V31 F32 S34 V35 A101 M104 Q108 | F25-V31 WeakPolarHBondContact O-CA 3.45Å; F25-F32 HydrophobicContact CE1-CB 4.36Å; F25-F32 HydrophobicContact CE2-CB 4.3Å; F25-F32 HydrophobicContact CZ-CB 4.04Å; F25-F32 PolarHBondContact N-O 3.34Å; F25-F32 VanDerWaalsContact N-O 3.15Å; F25-F32 PolarHBondContact O-N 3.38Å; F25-S34 VanDerWaalsContact CE1-C 3.42Å; F25-S34 WeakPolarHBondContact CE1-O 3.5Å; F25-S34 WeakPolarHBondContact CZ-O 3.18Å; F25-V35 HydrophobicContact CE1-CG2 4.24Å; F25-V35 HydrophobicContact CZ-CG2 4.28Å; F25-A101 HydrophobicContact CE2-CB 4.36Å; F25-A101 HydrophobicContact CZ-CB 4.31Å; F25-M104 HydrophobicContact CD2-CB 4.21Å; F25-M104 HydrophobicContact CD2-CE 4.48Å; F25-M104 HydrophobicContact CE2-CE 4.1Å; F25-Q108 HydrophobicContact CB-CB 4.43Å |
| 26 | S | 89 | Confident | 87.5 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147.3 | -175.4 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | G28 R30 Q108 | S26-G28 VanDerWaalsContact C-N 3.31Å; S26-G28 PolarHBondContact OG-N 3.31Å; S26-R30 WeakPolarHBondContact CA-O 3.39Å; S26-R30 VanDerWaalsContact CB-O 3.3Å; S26-R30 WeakPolarHBondContact CB-O 3.41Å; S26-R30 PolarHBondContact OG-O 2.97Å; S26-Q108 PolarHBondContact O-NE2 3.34Å; S26-Q108 PolarHBondContact O-OE1 3.05Å |
| 27 | D | 88.7 | Confident | 87.5 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | trans | -91.2 | 6.3 | 167.5 | 69.4 | -0.5 | 0 | 0 | 0 | 113 | S29 R30 F32 Y38 M104 | D27-S29 WeakPolarHBondContact OD1-CA 3.07Å; D27-S29 WeakPolarHBondContact OD1-CB 3.5Å; D27-S29 PolarHBondContact OD1-N 3.12Å; D27-S29 PolarHBondContact OD1-OG 2.87Å; D27-S29 PolarHBondContact OD2-OG 2.83Å; D27-R30 PolarHBondContact N-O 3.1Å; D27-R30 PolarHBondContact OD1-N 3.02Å; D27-F32 HydrophobicContact CB-CE2 4.21Å; D27-F32 WeakPolarHBondContact OD2-CE2 3.33Å; D27-Y38 HydrophobicContact CB-CE2 4.09Å; D27-M104 HydrophobicContact CB-CE 4.29Å; D27-M104 HydrophobicContact CB-SD 3.79Å | ||
| 28 | G | 82.7 | Confident | 87.5 | Confident | 75 Ų | 75 | 44.5 Ų | 44.5 | 77% | 0.773 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 93.5 | -18.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S26 | S26-G28 VanDerWaalsContact C-N 3.31Å; S26-G28 PolarHBondContact OG-N 3.31Å |
| 29 | S | 82.8 | Confident | 87.4 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 71% | 0.713 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -106.2 | -38.3 | 177.8 | 74.2 | 0 | 0 | 0 | 0 | 112.6 | D27 | D27-S29 WeakPolarHBondContact OD1-CA 3.07Å; D27-S29 WeakPolarHBondContact OD1-CB 3.5Å; D27-S29 PolarHBondContact OD1-N 3.12Å; D27-S29 PolarHBondContact OD1-OG 2.87Å; D27-S29 PolarHBondContact OD2-OG 2.83Å |
| 30 | R | 85.2 | Confident | 87.3 | Confident | 83 Ų | 83 | 43.4 Ų | 43.4 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | trans | -139.5 | 162.6 | -178.9 | -127.7 | 178.9 | -175.1 | 165.1 | 4.9 | 111.1 | S26 D27 F32 Y41 D54 | S26-R30 WeakPolarHBondContact CA-O 3.39Å; S26-R30 VanDerWaalsContact CB-O 3.3Å; S26-R30 WeakPolarHBondContact CB-O 3.41Å; S26-R30 PolarHBondContact OG-O 2.97Å; D27-R30 PolarHBondContact N-O 3.1Å; D27-R30 PolarHBondContact OD1-N 3.02Å; R30-F32 HydrophobicContact CB-CE2 3.93Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; R30-Y41 PolarHBondContact NH1-OH 3Å; R30-D54 IonicContact CZ-OD1 2.85Å; R30-D54 IonicContact NH1-OD1 2.69Å; R30-D54 PolarHBondContact NH1-OD1 3.39Å; R30-D54 IonicContact NH2-OD1 3.51Å | ||
| 31 | V | 86.8 | Confident | 87.4 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.6 | 172.3 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | F25 | F25-V31 WeakPolarHBondContact O-CA 3.45Å |
| 32 | F | 90 | Very high | 87.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.4 | 178.7 | -58.4 | -87.2 | 0 | 0 | 0 | 109.4 | C23 S24 F25 D27 R30 Y38 Y41 | C23-F32 VanDerWaalsContact O-O 3.13Å; S24-F32 WeakPolarHBondContact CA-O 3.13Å; F25-F32 HydrophobicContact CE1-CB 4.36Å; F25-F32 HydrophobicContact CE2-CB 4.3Å; F25-F32 HydrophobicContact CZ-CB 4.04Å; F25-F32 PolarHBondContact N-O 3.34Å; F25-F32 VanDerWaalsContact N-O 3.15Å; F25-F32 PolarHBondContact O-N 3.38Å; D27-F32 HydrophobicContact CB-CE2 4.21Å; D27-F32 WeakPolarHBondContact OD2-CE2 3.33Å; R30-F32 HydrophobicContact CB-CE2 3.93Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; F32-Y38 HydrophobicContact CD1-CD2 4.22Å; F32-Y38 AromaticContact CD2-CD2 3.71Å; F32-Y38 HydrophobicContact CD2-CD2 3.71Å; F32-Y38 HydrophobicContact CE1-CD2 4.04Å; F32-Y38 AromaticContact CE2-CD2 3.54Å; F32-Y38 HydrophobicContact CE2-CD2 3.54Å; F32-Y38 HydrophobicContact CE2-CE2 4.03Å; F32-Y38 HydrophobicContact CG-CD2 4.05Å; F32-Y38 AromaticContact CZ-CD2 3.7Å; F32-Y38 HydrophobicContact CZ-CD2 3.7Å; F32-Y38 HydrophobicContact CZ-CE2 4.21Å; F32-Y41 AromaticContact CE1-CD1 3.87Å; F32-Y41 HydrophobicContact CE1-CD1 3.87Å; F32-Y41 AromaticContact CE1-CG 3.87Å; F32-Y41 HydrophobicContact CE1-CG 3.87Å; F32-Y41 HydrophobicContact CZ-CD1 4.09Å |
| 33 | C | 86 | Confident | 87.6 | Confident | 65 Ų | 65 | 36.3 Ų | 36.3 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -96 | -4.9 | -177.6 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | K22 C23 E37 | K22-C33 CarbonylContact C-O 3.55Å; K22-C33 WeakPolarHBondContact CA-O 3.47Å; C23-C33 PolarHBondContact N-O 3.49Å; C23-C33 CarbonylContact O-C 3.44Å; C23-C33 WeakPolarHBondContact O-CA 3.31Å; C33-E37 WeakPolarHBondContact CA-OE2 3.33Å; C33-E37 WeakPolarHBondContact CB-OE2 3.49Å; C33-E37 PolarHBondContact N-OE2 3.12Å |
| 34 | S | 89.1 | Confident | 87.6 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | trans | -164.8 | 162.4 | 172.9 | 65 | 0 | 0 | 0 | 0 | 111.7 | P19 F25 D36 E37 Y38 | P19-S34 WeakPolarHBondContact O-CB 3.49Å; F25-S34 VanDerWaalsContact CE1-C 3.42Å; F25-S34 WeakPolarHBondContact CE1-O 3.5Å; F25-S34 WeakPolarHBondContact CZ-O 3.18Å; S34-D36 VanDerWaalsContact C-N 3.28Å; S34-D36 PolarHBondContact O-N 2.85Å; S34-E37 PolarHBondContact O-N 2.97Å; S34-E37 VanDerWaalsContact OG-CB 3.31Å; S34-E37 WeakPolarHBondContact OG-CB 3.48Å; S34-E37 PolarHBondContact OG-N 3.41Å; S34-Y38 PolarHBondContact O-N 3.44Å | ||
| 35 | V | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 174.1 | 164.5 | 0 | 0 | 0 | 0 | 110.3 | P19 F25 E37 Y38 C39 M98 A101 Y102 R105 | P19-V35 HydrophobicContact CB-CB 4.23Å; P19-V35 HydrophobicContact CB-CG1 4.03Å; P19-V35 WeakPolarHBondContact O-CB 3.21Å; P19-V35 PolarHBondContact O-N 3.47Å; P19-V35 VanDerWaalsContact O-N 3.08Å; F25-V35 HydrophobicContact CE1-CG2 4.24Å; F25-V35 HydrophobicContact CZ-CG2 4.28Å; V35-E37 PolarHBondContact O-N 3.13Å; V35-Y38 PolarHBondContact O-N 3.3Å; V35-C39 PolarHBondContact O-N 3.47Å; V35-C39 VanDerWaalsContact O-N 3.12Å; V35-C39 PolarHBondContact O-SG 2.97Å; V35-M98 HydrophobicContact CG1-SD 3.69Å; V35-A101 HydrophobicContact CB-CB 4.2Å; V35-A101 HydrophobicContact CG1-CB 3.74Å; V35-A101 HydrophobicContact CG2-CB 4.14Å; V35-Y102 HydrophobicContact CB-CE1 4.49Å; V35-Y102 HydrophobicContact CG1-CD1 4.35Å; V35-Y102 HydrophobicContact CG1-CD2 4.2Å; V35-Y102 HydrophobicContact CG1-CE1 4.21Å; V35-Y102 HydrophobicContact CG1-CE2 4.03Å; V35-Y102 HydrophobicContact CG1-CG 4.35Å; V35-Y102 HydrophobicContact CG2-CD1 3.96Å; V35-Y102 HydrophobicContact CG2-CE1 4.11Å; V35-Y102 HydrophobicContact CG2-CG 4.49Å; V35-R105 HydrophobicContact CG2-CB 4.45Å |
| 36 | D | 88.2 | Confident | 87.1 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 177.4 | 178.1 | 70.9 | 0 | 0 | 0 | 112.8 | P19 S34 C39 K40 F62 | P19-D36 HydrophobicContact CB-CB 4.39Å; P19-D36 PolarHBondContact O-N 3.29Å; S34-D36 VanDerWaalsContact C-N 3.28Å; S34-D36 PolarHBondContact O-N 2.85Å; D36-C39 PolarHBondContact O-N 3.42Å; D36-K40 WeakPolarHBondContact O-CG 3.43Å; D36-K40 PolarHBondContact O-N 3.31Å; D36-K40 WeakPolarHBondContact OD1-CE 3.43Å; D36-K40 IonicContact OD1-NZ 3.55Å; D36-K40 WeakPolarHBondContact OD2-CE 3.39Å; D36-K40 IonicContact OD2-NZ 3.37Å; D36-K40 PolarHBondContact OD2-NZ 3.31Å; D36-F62 WeakPolarHBondContact OD2-CE2 3.43Å |
| 37 | E | 87.8 | Confident | 86.6 | Confident | 23 Ų | 23 | 39 Ų | 39 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 177 | -175.8 | -174 | -177.6 | 0 | 0 | 112.2 | C33 S34 V35 C39 K40 Y41 L56 | C33-E37 WeakPolarHBondContact CA-OE2 3.33Å; C33-E37 WeakPolarHBondContact CB-OE2 3.49Å; C33-E37 PolarHBondContact N-OE2 3.12Å; S34-E37 PolarHBondContact O-N 2.97Å; S34-E37 VanDerWaalsContact OG-CB 3.31Å; S34-E37 WeakPolarHBondContact OG-CB 3.48Å; S34-E37 PolarHBondContact OG-N 3.41Å; V35-E37 PolarHBondContact O-N 3.13Å; E37-C39 VanDerWaalsContact C-N 3.27Å; E37-C39 PolarHBondContact O-N 3Å; E37-K40 PolarHBondContact O-N 3.06Å; E37-Y41 WeakPolarHBondContact O-CB 3.46Å; E37-Y41 PolarHBondContact O-N 2.76Å; E37-L56 HydrophobicContact CG-CD2 4.31Å |
| 38 | Y | 91.6 | Very high | 86 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | 175.1 | 174.3 | -90.3 | 0 | 0 | 0 | 111.1 | D27 F32 S34 V35 Y41 Q42 H97 A101 M104 | D27-Y38 HydrophobicContact CB-CE2 4.09Å; F32-Y38 HydrophobicContact CD1-CD2 4.22Å; F32-Y38 AromaticContact CD2-CD2 3.71Å; F32-Y38 HydrophobicContact CD2-CD2 3.71Å; F32-Y38 HydrophobicContact CE1-CD2 4.04Å; F32-Y38 AromaticContact CE2-CD2 3.54Å; F32-Y38 HydrophobicContact CE2-CD2 3.54Å; F32-Y38 HydrophobicContact CE2-CE2 4.03Å; F32-Y38 HydrophobicContact CG-CD2 4.05Å; F32-Y38 AromaticContact CZ-CD2 3.7Å; F32-Y38 HydrophobicContact CZ-CD2 3.7Å; F32-Y38 HydrophobicContact CZ-CE2 4.21Å; S34-Y38 PolarHBondContact O-N 3.44Å; V35-Y38 PolarHBondContact O-N 3.3Å; Y38-Y41 PolarHBondContact O-N 3.43Å; Y38-Q42 HydrophobicContact CD1-CG 4.07Å; Y38-Q42 HydrophobicContact CD2-CG 4.31Å; Y38-Q42 HydrophobicContact CE1-CG 3.65Å; Y38-Q42 HydrophobicContact CE2-CG 3.87Å; Y38-Q42 HydrophobicContact CG-CG 4.41Å; Y38-Q42 WeakPolarHBondContact O-CG 3.25Å; Y38-Q42 PolarHBondContact O-N 2.98Å; Y38-H97 HydrophobicContact CE1-CB 4.39Å; Y38-A101 HydrophobicContact CD1-CB 3.57Å; Y38-A101 HydrophobicContact CE1-CB 4.16Å; Y38-A101 HydrophobicContact CG-CB 4.07Å; Y38-M104 HydrophobicContact CD1-CE 4.44Å; Y38-M104 HydrophobicContact CD2-CE 4.01Å; Y38-M104 HydrophobicContact CE1-CE 4.02Å; Y38-M104 HydrophobicContact CE2-CE 3.59Å; Y38-M104 HydrophobicContact CG-CE 4.41Å |
| 39 | C | 89.5 | Confident | 86 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -45.8 | -178.6 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | V35 D36 E37 Y41 Q42 T43 L94 H97 M98 | V35-C39 PolarHBondContact O-N 3.47Å; V35-C39 VanDerWaalsContact O-N 3.12Å; V35-C39 PolarHBondContact O-SG 2.97Å; D36-C39 PolarHBondContact O-N 3.42Å; E37-C39 VanDerWaalsContact C-N 3.27Å; E37-C39 PolarHBondContact O-N 3Å; C39-Y41 VanDerWaalsContact C-N 3.33Å; C39-Y41 PolarHBondContact O-N 3.25Å; C39-Q42 PolarHBondContact O-N 3.14Å; C39-T43 VanDerWaalsContact O-CB 3.3Å; C39-T43 WeakPolarHBondContact O-CB 3.35Å; C39-T43 PolarHBondContact O-N 3.38Å; C39-T43 PolarHBondContact O-OG1 3.48Å; C39-L94 HydrophobicContact CB-CD1 4.03Å; C39-H97 HydrophobicContact CB-CB 4.16Å; C39-M98 HydrophobicContact CB-CE 3.89Å; C39-M98 HydrophobicContact CB-CG 4.4Å; C39-M98 HydrophobicContact CB-SD 4.33Å; C39-M98 WeakPolarHBondContact SG-CA 3.19Å; C39-M98 VanDerWaalsContact SG-CG 3.51Å; C39-M98 PolarHBondContact SG-N 3.19Å; C39-M98 PolarHBondContact SG-SD 3.14Å |
| 40 | K | 87.2 | Confident | 86.2 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 176.1 | -72.5 | 170.9 | 177.1 | 167.4 | 0 | 111.8 | D36 E37 T43 L44 L56 Y69 | D36-K40 WeakPolarHBondContact O-CG 3.43Å; D36-K40 PolarHBondContact O-N 3.31Å; D36-K40 WeakPolarHBondContact OD1-CE 3.43Å; D36-K40 IonicContact OD1-NZ 3.55Å; D36-K40 WeakPolarHBondContact OD2-CE 3.39Å; D36-K40 IonicContact OD2-NZ 3.37Å; D36-K40 PolarHBondContact OD2-NZ 3.31Å; E37-K40 PolarHBondContact O-N 3.06Å; K40-T43 PolarHBondContact O-N 3Å; K40-L44 WeakPolarHBondContact O-CG 3.5Å; K40-L44 PolarHBondContact O-N 3.06Å; K40-L56 HydrophobicContact CB-CD1 4.23Å; K40-L56 HydrophobicContact CB-CD2 4.4Å; K40-Y69 HydrophobicContact CB-CD2 3.82Å; K40-Y69 HydrophobicContact CB-CE2 3.68Å; K40-Y69 HydrophobicContact CB-CG 4.4Å; K40-Y69 HydrophobicContact CD-CD1 4.28Å; K40-Y69 HydrophobicContact CD-CD2 4.44Å; K40-Y69 HydrophobicContact CD-CG 4.2Å; K40-Y69 HydrophobicContact CG-CD1 4.15Å; K40-Y69 HydrophobicContact CG-CD2 3.98Å; K40-Y69 HydrophobicContact CG-CE1 3.98Å; K40-Y69 HydrophobicContact CG-CE2 3.83Å; K40-Y69 HydrophobicContact CG-CG 4.13Å |
| 41 | Y | 89.2 | Confident | 86.2 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.2 | -56.4 | 176.6 | -178.2 | -95 | 0 | 0 | 0 | 111.3 | R30 F32 E37 Y38 C39 T43 L44 V45 Q50 A53 D54 A57 | R30-Y41 PolarHBondContact NH1-OH 3Å; F32-Y41 AromaticContact CE1-CD1 3.87Å; F32-Y41 HydrophobicContact CE1-CD1 3.87Å; F32-Y41 AromaticContact CE1-CG 3.87Å; F32-Y41 HydrophobicContact CE1-CG 3.87Å; F32-Y41 HydrophobicContact CZ-CD1 4.09Å; E37-Y41 WeakPolarHBondContact O-CB 3.46Å; E37-Y41 PolarHBondContact O-N 2.76Å; Y38-Y41 PolarHBondContact O-N 3.43Å; C39-Y41 VanDerWaalsContact C-N 3.33Å; C39-Y41 PolarHBondContact O-N 3.25Å; Y41-T43 VanDerWaalsContact C-N 3.26Å; Y41-T43 PolarHBondContact O-N 3.01Å; Y41-L44 PolarHBondContact O-N 3.44Å; Y41-L44 VanDerWaalsContact O-N 3.11Å; Y41-V45 HydrophobicContact CD1-CG2 4.09Å; Y41-V45 HydrophobicContact CE1-CG2 3.68Å; Y41-V45 WeakPolarHBondContact O-CG2 3.47Å; Y41-V45 PolarHBondContact O-N 3.33Å; Y41-Q50 PolarHBondContact OH-NE2 3.03Å; Y41-A53 HydrophobicContact CD2-CB 3.66Å; Y41-A53 VanDerWaalsContact CD2-O 3.28Å; Y41-A53 WeakPolarHBondContact CD2-O 3.42Å; Y41-A53 VanDerWaalsContact CE2-C 3.47Å; Y41-A53 HydrophobicContact CE2-CB 3.51Å; Y41-A53 WeakPolarHBondContact CE2-O 2.97Å; Y41-A53 HydrophobicContact CG-CB 4.41Å; Y41-D54 WeakPolarHBondContact CE2-OD1 3.46Å; Y41-D54 PolarHBondContact OH-OD1 3.03Å; Y41-A57 HydrophobicContact CD2-CB 4.09Å; Y41-A57 HydrophobicContact CE2-CB 4.28Å |
| 42 | Q | 89.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -38.1 | -178.7 | -68.5 | -63.7 | -14.8 | 0 | 0 | 112.2 | Y38 C39 L44 V45 E46 H97 | Y38-Q42 HydrophobicContact CD1-CG 4.07Å; Y38-Q42 HydrophobicContact CD2-CG 4.31Å; Y38-Q42 HydrophobicContact CE1-CG 3.65Å; Y38-Q42 HydrophobicContact CE2-CG 3.87Å; Y38-Q42 HydrophobicContact CG-CG 4.41Å; Y38-Q42 WeakPolarHBondContact O-CG 3.25Å; Y38-Q42 PolarHBondContact O-N 2.98Å; C39-Q42 PolarHBondContact O-N 3.14Å; Q42-L44 VanDerWaalsContact C-N 3.34Å; Q42-L44 PolarHBondContact O-N 3.37Å; Q42-V45 PolarHBondContact O-N 2.95Å; Q42-E46 WeakPolarHBondContact O-CG 3.41Å; Q42-E46 PolarHBondContact O-N 3.46Å; Q42-H97 WeakPolarHBondContact CB-CD2 3.49Å |
| 43 | T | 84.2 | Confident | 86 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 177 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | C39 K40 Y41 E46 L47 F90 | C39-T43 VanDerWaalsContact O-CB 3.3Å; C39-T43 WeakPolarHBondContact O-CB 3.35Å; C39-T43 PolarHBondContact O-N 3.38Å; C39-T43 PolarHBondContact O-OG1 3.48Å; K40-T43 PolarHBondContact O-N 3Å; Y41-T43 VanDerWaalsContact C-N 3.26Å; Y41-T43 PolarHBondContact O-N 3.01Å; T43-E46 PolarHBondContact O-N 3.43Å; T43-L47 HydrophobicContact CG2-CD1 4.22Å; T43-L47 WeakPolarHBondContact O-CB 3.26Å; T43-L47 WeakPolarHBondContact O-CG 3.34Å; T43-L47 PolarHBondContact O-N 3.29Å; T43-F90 HydrophobicContact CG2-CD2 3.41Å; T43-F90 VanDerWaalsContact CG2-CD2 3.41Å; T43-F90 HydrophobicContact CG2-CE2 3.06Å; T43-F90 HydrophobicContact CG2-CG 4.38Å; T43-F90 HydrophobicContact CG2-CZ 3.78Å |
| 44 | L | 84.3 | Confident | 86 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.2 | -38.2 | 175.1 | -72.2 | 176.6 | 0 | 0 | 0 | 112.1 | K40 Y41 Q42 L47 G48 Q49 A53 L56 Y69 L72 | K40-L44 WeakPolarHBondContact O-CG 3.5Å; K40-L44 PolarHBondContact O-N 3.06Å; Y41-L44 PolarHBondContact O-N 3.44Å; Y41-L44 VanDerWaalsContact O-N 3.11Å; Q42-L44 VanDerWaalsContact C-N 3.34Å; Q42-L44 PolarHBondContact O-N 3.37Å; L44-L47 CarbonylContact O-C 3.38Å; L44-L47 PolarHBondContact O-N 3.05Å; L44-G48 PolarHBondContact O-N 2.83Å; L44-Q49 HydrophobicContact CB-CB 4.3Å; L44-Q49 HydrophobicContact CD2-CB 4.27Å; L44-Q49 WeakPolarHBondContact O-CA 3.42Å; L44-Q49 PolarHBondContact O-N 3.44Å; L44-A53 HydrophobicContact CB-CB 3.73Å; L44-A53 HydrophobicContact CD1-CB 4.34Å; L44-L56 HydrophobicContact CD1-CB 4.32Å; L44-L56 HydrophobicContact CD1-CD1 3.86Å; L44-Y69 HydrophobicContact CD1-CD2 3.96Å; L44-Y69 HydrophobicContact CD1-CE2 4.36Å; L44-Y69 HydrophobicContact CD2-CD2 4.26Å; L44-Y69 HydrophobicContact CD2-CE2 4.2Å; L44-Y69 HydrophobicContact CG-CD2 4.01Å; L44-Y69 HydrophobicContact CG-CE2 3.92Å; L44-L72 HydrophobicContact CD1-CD1 3.94Å; L44-L72 HydrophobicContact CD2-CB 4.33Å; L44-L72 HydrophobicContact CD2-CD1 4.3Å |
| 45 | V | 84.9 | Confident | 85.9 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | Y41 Q42 L47 G48 A53 | Y41-V45 HydrophobicContact CD1-CG2 4.09Å; Y41-V45 HydrophobicContact CE1-CG2 3.68Å; Y41-V45 WeakPolarHBondContact O-CG2 3.47Å; Y41-V45 PolarHBondContact O-N 3.33Å; Q42-V45 PolarHBondContact O-N 2.95Å; V45-L47 VanDerWaalsContact C-N 3.25Å; V45-L47 PolarHBondContact O-N 3.48Å; V45-G48 WeakPolarHBondContact O-CA 3.31Å; V45-G48 PolarHBondContact O-N 3.47Å; V45-A53 HydrophobicContact CG2-CB 3.87Å |
| 46 | E | 80.9 | Confident | 85.7 | Confident | 117 Ų | 117 | 39.9 Ų | 39.9 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -34.7 | 176.3 | -76.1 | -167.1 | 157.1 | 0 | 0 | 112.9 | Q42 T43 G48 S93 H97 | Q42-E46 WeakPolarHBondContact O-CG 3.41Å; Q42-E46 PolarHBondContact O-N 3.46Å; T43-E46 PolarHBondContact O-N 3.43Å; E46-G48 PolarHBondContact O-N 3.1Å; E46-S93 VanDerWaalsContact OE2-CB 3.3Å; E46-S93 WeakPolarHBondContact OE2-CB 3.34Å; E46-S93 PolarHBondContact OE2-OG 3.02Å; E46-H97 IonicContact OE1-CE1 3.49Å; E46-H97 PolarHBondContact OE1-CE1 3.45Å; E46-H97 IonicContact OE1-NE2 2.77Å; E46-H97 IonicContact OE2-CE1 3.21Å; E46-H97 PolarHBondContact OE2-CE1 2.91Å |
| 47 | L | 77.8 | Confident | 85.4 | Confident | 45 Ų | 45 | 39.9 Ų | 39.9 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 1.8 | 174.4 | -71 | 176.8 | 0 | 0 | 0 | 113.4 | T43 L44 V45 Q49 L73 M76 L86 F90 | T43-L47 HydrophobicContact CG2-CD1 4.22Å; T43-L47 WeakPolarHBondContact O-CB 3.26Å; T43-L47 WeakPolarHBondContact O-CG 3.34Å; T43-L47 PolarHBondContact O-N 3.29Å; L44-L47 CarbonylContact O-C 3.38Å; L44-L47 PolarHBondContact O-N 3.05Å; V45-L47 VanDerWaalsContact C-N 3.25Å; V45-L47 PolarHBondContact O-N 3.48Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 2.86Å; L47-L73 HydrophobicContact CD1-CD2 3.72Å; L47-M76 HydrophobicContact CB-CE 3.81Å; L47-M76 HydrophobicContact CB-SD 4.08Å; L47-M76 HydrophobicContact CD1-CE 4.31Å; L47-M76 HydrophobicContact CD1-SD 4.07Å; L47-M76 HydrophobicContact CD2-CE 4.19Å; L47-M76 HydrophobicContact CG-CE 4.33Å; L47-L86 HydrophobicContact CD2-CD2 3.68Å; L47-F90 HydrophobicContact CD1-CD2 4.01Å; L47-F90 HydrophobicContact CD1-CE2 3.98Å |
| 48 | G | 77.8 | Confident | 85 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 61% | 0.608 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 14.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L44 V45 E46 Q50 | L44-G48 PolarHBondContact O-N 2.83Å; V45-G48 WeakPolarHBondContact O-CA 3.31Å; V45-G48 PolarHBondContact O-N 3.47Å; E46-G48 PolarHBondContact O-N 3.1Å; G48-Q50 PolarHBondContact O-N 3.02Å |
| 49 | Q | 82.1 | Confident | 84.4 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | trans | -96.1 | 58.6 | 178.6 | -67.5 | -62.2 | -49.8 | 0 | 0 | 111.5 | L44 L47 E51 G52 A53 M76 | L44-Q49 HydrophobicContact CB-CB 4.3Å; L44-Q49 HydrophobicContact CD2-CB 4.27Å; L44-Q49 WeakPolarHBondContact O-CA 3.42Å; L44-Q49 PolarHBondContact O-N 3.44Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 2.86Å; Q49-E51 PolarHBondContact O-N 2.97Å; Q49-G52 PolarHBondContact O-N 3.27Å; Q49-A53 WeakPolarHBondContact O-CB 3.3Å; Q49-A53 PolarHBondContact O-N 3.43Å; Q49-M76 HydrophobicContact CG-CE 4.4Å; Q49-M76 HydrophobicContact CG-SD 3.56Å; Q49-M76 VanDerWaalsContact CG-SD 3.56Å | ||
| 50 | Q | 85.9 | Confident | 83.6 | Confident | 87 Ų | 87 | 52.5 Ų | 52.5 | 41% | 0.407 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.5 | -46.2 | -177.3 | -172.1 | 66.1 | 36 | 0 | 0 | 112.6 | Y41 G48 G52 A53 D54 | Y41-Q50 PolarHBondContact OH-NE2 3.03Å; G48-Q50 PolarHBondContact O-N 3.02Å; Q50-G52 VanDerWaalsContact C-N 3.33Å; Q50-G52 PolarHBondContact O-N 2.8Å; Q50-A53 WeakPolarHBondContact O-CB 3.47Å; Q50-A53 PolarHBondContact O-N 3.26Å; Q50-D54 PolarHBondContact NE2-OD2 2.97Å; Q50-D54 PolarHBondContact O-N 2.92Å |
| 51 | E | 85.3 | Confident | 82.9 | Confident | 173 Ų | 173 | 56.8 Ų | 56.8 | 81% | 0.808 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 177.6 | -67.1 | -177.5 | 175.1 | 0 | 0 | 111.9 | Q49 D54 A55 | Q49-E51 PolarHBondContact O-N 2.97Å; E51-D54 PolarHBondContact O-N 3.08Å; E51-A55 VanDerWaalsContact O-CB 3.29Å; E51-A55 WeakPolarHBondContact O-CB 3.45Å; E51-A55 PolarHBondContact O-N 3.07Å |
| 52 | G | 86.2 | Confident | 81.9 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q49 Q50 A55 L56 | Q49-G52 PolarHBondContact O-N 3.27Å; Q50-G52 VanDerWaalsContact C-N 3.33Å; Q50-G52 PolarHBondContact O-N 2.8Å; G52-A55 PolarHBondContact O-N 3.34Å; G52-L56 WeakPolarHBondContact O-CB 3.43Å; G52-L56 PolarHBondContact O-N 3.46Å |
| 53 | A | 86.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y41 L44 V45 Q49 Q50 L56 A57 | Y41-A53 HydrophobicContact CD2-CB 3.66Å; Y41-A53 VanDerWaalsContact CD2-O 3.28Å; Y41-A53 WeakPolarHBondContact CD2-O 3.42Å; Y41-A53 VanDerWaalsContact CE2-C 3.47Å; Y41-A53 HydrophobicContact CE2-CB 3.51Å; Y41-A53 WeakPolarHBondContact CE2-O 2.97Å; Y41-A53 HydrophobicContact CG-CB 4.41Å; L44-A53 HydrophobicContact CB-CB 3.73Å; L44-A53 HydrophobicContact CD1-CB 4.34Å; V45-A53 HydrophobicContact CG2-CB 3.87Å; Q49-A53 WeakPolarHBondContact O-CB 3.3Å; Q49-A53 PolarHBondContact O-N 3.43Å; Q50-A53 WeakPolarHBondContact O-CB 3.47Å; Q50-A53 PolarHBondContact O-N 3.26Å; A53-L56 PolarHBondContact O-N 3.35Å; A53-A57 PolarHBondContact O-N 3.28Å |
| 54 | D | 87.5 | Confident | 80.7 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.6 | -36.4 | 178.2 | -67.3 | -28.8 | 0 | 0 | 0 | 112 | R30 Y41 Q50 E51 A57 S58 | R30-D54 IonicContact CZ-OD1 2.85Å; R30-D54 IonicContact NH1-OD1 2.69Å; R30-D54 PolarHBondContact NH1-OD1 3.39Å; R30-D54 IonicContact NH2-OD1 3.51Å; Y41-D54 WeakPolarHBondContact CE2-OD1 3.46Å; Y41-D54 PolarHBondContact OH-OD1 3.03Å; Q50-D54 PolarHBondContact NE2-OD2 2.97Å; Q50-D54 PolarHBondContact O-N 2.92Å; E51-D54 PolarHBondContact O-N 3.08Å; D54-A57 PolarHBondContact O-N 2.85Å; D54-S58 PolarHBondContact O-N 3.21Å; D54-S58 VanDerWaalsContact O-N 3.15Å |
| 55 | A | 86.1 | Confident | 80.3 | Confident | 38 Ų | 38 | 65 Ų | 65 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | E51 G52 S58 L68 | E51-A55 VanDerWaalsContact O-CB 3.29Å; E51-A55 WeakPolarHBondContact O-CB 3.45Å; E51-A55 PolarHBondContact O-N 3.07Å; G52-A55 PolarHBondContact O-N 3.34Å; A55-S58 PolarHBondContact O-N 3.39Å; A55-S58 PolarHBondContact O-OG 2.97Å; A55-L68 HydrophobicContact CB-CD2 4.08Å |
| 56 | L | 86.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -46.7 | 175.4 | -176.7 | 150.1 | 0 | 0 | 0 | 111.3 | E37 K40 L44 G52 A53 S58 K59 L68 Y69 | E37-L56 HydrophobicContact CG-CD2 4.31Å; K40-L56 HydrophobicContact CB-CD1 4.23Å; K40-L56 HydrophobicContact CB-CD2 4.4Å; L44-L56 HydrophobicContact CD1-CB 4.32Å; L44-L56 HydrophobicContact CD1-CD1 3.86Å; G52-L56 WeakPolarHBondContact O-CB 3.43Å; G52-L56 PolarHBondContact O-N 3.46Å; A53-L56 PolarHBondContact O-N 3.35Å; L56-S58 PolarHBondContact O-N 3.04Å; L56-K59 WeakPolarHBondContact O-CB 3.45Å; L56-K59 PolarHBondContact O-N 3.41Å; L56-K59 VanDerWaalsContact O-N 3.08Å; L56-L68 HydrophobicContact CB-CD2 4.27Å; L56-Y69 HydrophobicContact CD1-CD2 3.71Å; L56-Y69 HydrophobicContact CD1-CG 4.11Å |
| 57 | A | 81.8 | Confident | 79.7 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 22% | 0.223 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.8 | -17.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y41 A53 D54 | Y41-A57 HydrophobicContact CD2-CB 4.09Å; Y41-A57 HydrophobicContact CE2-CB 4.28Å; A53-A57 PolarHBondContact O-N 3.28Å; D54-A57 PolarHBondContact O-N 2.85Å |
| 58 | S | 80.6 | Confident | 79.9 | Confident | 85 Ų | 85 | 63 Ų | 63 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -7.4 | 175 | 77.5 | 0 | 0 | 0 | 0 | 113.9 | D54 A55 L56 | D54-S58 PolarHBondContact O-N 3.21Å; D54-S58 VanDerWaalsContact O-N 3.15Å; A55-S58 PolarHBondContact O-N 3.39Å; A55-S58 PolarHBondContact O-OG 2.97Å; L56-S58 PolarHBondContact O-N 3.04Å |
| 59 | K | 79.5 | Confident | 80.2 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | trans | -82.3 | 128.2 | 179.8 | -62 | -58.6 | -175.6 | 176.4 | 0 | 111 | L56 D64 L68 | L56-K59 WeakPolarHBondContact O-CB 3.45Å; L56-K59 PolarHBondContact O-N 3.41Å; L56-K59 VanDerWaalsContact O-N 3.08Å; K59-D64 HydrophobicContact CB-CB 4.44Å; K59-D64 HydrophobicContact CD-CB 4.26Å; K59-D64 HydrophobicContact CG-CB 4.44Å; K59-L68 HydrophobicContact CG-CD2 4.36Å | ||
| 60 | V | 72.7 | Confident | 80 | Confident | 129 Ų | 129 | 61.9 Ų | 61.9 | 78% | 0.782 | 34% | 0.342 | S | S | * | . | trans | -82.6 | -35.8 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 61 | E | 72.3 | Confident | 79.8 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -93.2 | 136 | -178.8 | -70 | -59 | 153.4 | 0 | 0 | 112.5 | S63 D64 S65 | E61-S63 VanDerWaalsContact C-N 3.32Å; E61-S63 PolarHBondContact O-N 3.17Å; E61-D64 HydrophobicContact CB-CB 4.35Å; E61-D64 PolarHBondContact O-N 3.35Å; E61-S65 PolarHBondContact O-N 3.46Å; E61-S65 VanDerWaalsContact O-N 3.08Å |
| 62 | F | 67.8 | Low | 79.7 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | -178.9 | 175.2 | -95.9 | 0 | 0 | 0 | 111.8 | A20 D36 D64 S65 L66 | A20-F62 HydrophobicContact CB-CE2 4.34Å; D36-F62 WeakPolarHBondContact OD2-CE2 3.43Å; F62-D64 PolarHBondContact O-N 3.1Å; F62-S65 PolarHBondContact O-N 3.47Å; F62-S65 PolarHBondContact O-OG 3.18Å; F62-L66 HydrophobicContact CE1-CD2 4.08Å; F62-L66 HydrophobicContact CZ-CD2 4.46Å; F62-L66 WeakPolarHBondContact O-CB 3.29Å; F62-L66 PolarHBondContact O-N 3.35Å |
| 63 | S | 72.7 | Confident | 79.3 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 44% | 0.441 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.3 | -39.9 | 177.2 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | E61 S67 | E61-S63 VanDerWaalsContact C-N 3.32Å; E61-S63 PolarHBondContact O-N 3.17Å; S63-S67 WeakPolarHBondContact O-CB 3.4Å; S63-S67 PolarHBondContact O-N 2.97Å; S63-S67 PolarHBondContact O-OG 3.06Å |
| 64 | D | 76.5 | Confident | 78.7 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 42% | 0.422 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75.2 | -40.8 | -176.5 | -62.4 | 2.5 | 0 | 0 | 0 | 110.2 | K59 E61 F62 S67 L68 | K59-D64 HydrophobicContact CB-CB 4.44Å; K59-D64 HydrophobicContact CD-CB 4.26Å; K59-D64 HydrophobicContact CG-CB 4.44Å; E61-D64 HydrophobicContact CB-CB 4.35Å; E61-D64 PolarHBondContact O-N 3.35Å; F62-D64 PolarHBondContact O-N 3.1Å; D64-S67 PolarHBondContact O-N 3.38Å; D64-L68 WeakPolarHBondContact O-CB 3.38Å; D64-L68 PolarHBondContact O-N 3.32Å |
| 65 | S | 74.6 | Confident | 78.2 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.1 | 76.2 | 0 | 0 | 0 | 0 | 112 | E61 F62 Y69 | E61-S65 PolarHBondContact O-N 3.46Å; E61-S65 VanDerWaalsContact O-N 3.08Å; F62-S65 PolarHBondContact O-N 3.47Å; F62-S65 PolarHBondContact O-OG 3.18Å; S65-Y69 WeakPolarHBondContact O-CB 3.27Å; S65-Y69 PolarHBondContact O-N 3.23Å |
| 66 | L | 74.8 | Confident | 77.4 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.5 | -43.2 | 179.3 | 179.3 | 64.2 | 0 | 0 | 0 | 111.3 | F62 Y69 I70 | F62-L66 HydrophobicContact CE1-CD2 4.08Å; F62-L66 HydrophobicContact CZ-CD2 4.46Å; F62-L66 WeakPolarHBondContact O-CB 3.29Å; F62-L66 PolarHBondContact O-N 3.35Å; L66-Y69 WeakPolarHBondContact O-CB 3.39Å; L66-Y69 PolarHBondContact O-N 2.82Å; L66-I70 HydrophobicContact CD1-CD1 3.91Å; L66-I70 HydrophobicContact CD1-CG1 4.24Å; L66-I70 HydrophobicContact CG-CD1 3.88Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.38Å |
| 67 | S | 79 | Confident | 76.5 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 51% | 0.51 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 178.5 | -59.1 | 0 | 0 | 0 | 0 | 111 | S63 D64 Y69 I70 E71 | S63-S67 WeakPolarHBondContact O-CB 3.4Å; S63-S67 PolarHBondContact O-N 2.97Å; S63-S67 PolarHBondContact O-OG 3.06Å; D64-S67 PolarHBondContact O-N 3.38Å; S67-Y69 PolarHBondContact O-N 3.01Å; S67-I70 PolarHBondContact O-N 3.48Å; S67-E71 WeakPolarHBondContact O-CB 3.44Å; S67-E71 PolarHBondContact O-N 3.47Å |
| 68 | L | 82.7 | Confident | 75.9 | Confident | 33 Ų | 33 | 71.9 Ų | 71.9 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 176 | -179.7 | 61.8 | 0 | 0 | 0 | 111.7 | A55 L56 K59 D64 E71 L72 | A55-L68 HydrophobicContact CB-CD2 4.08Å; L56-L68 HydrophobicContact CB-CD2 4.27Å; K59-L68 HydrophobicContact CG-CD2 4.36Å; D64-L68 WeakPolarHBondContact O-CB 3.38Å; D64-L68 PolarHBondContact O-N 3.32Å; L68-E71 PolarHBondContact O-N 2.88Å; L68-L72 HydrophobicContact CD1-CD1 4.22Å; L68-L72 HydrophobicContact CD1-CG 4.23Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 VanDerWaalsContact O-CG 3.29Å; L68-L72 WeakPolarHBondContact O-CG 3.14Å; L68-L72 PolarHBondContact O-N 3.22Å |
| 69 | Y | 82.5 | Confident | 75.1 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 7% | 0.071 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 176.9 | -174 | -109.7 | 0 | 0 | 0 | 112.3 | K40 L44 L56 S65 L66 S67 E71 L72 L73 F90 | K40-Y69 HydrophobicContact CB-CD2 3.82Å; K40-Y69 HydrophobicContact CB-CE2 3.68Å; K40-Y69 HydrophobicContact CB-CG 4.4Å; K40-Y69 HydrophobicContact CD-CD1 4.28Å; K40-Y69 HydrophobicContact CD-CD2 4.44Å; K40-Y69 HydrophobicContact CD-CG 4.2Å; K40-Y69 HydrophobicContact CG-CD1 4.15Å; K40-Y69 HydrophobicContact CG-CD2 3.98Å; K40-Y69 HydrophobicContact CG-CE1 3.98Å; K40-Y69 HydrophobicContact CG-CE2 3.83Å; K40-Y69 HydrophobicContact CG-CG 4.13Å; L44-Y69 HydrophobicContact CD1-CD2 3.96Å; L44-Y69 HydrophobicContact CD1-CE2 4.36Å; L44-Y69 HydrophobicContact CD2-CD2 4.26Å; L44-Y69 HydrophobicContact CD2-CE2 4.2Å; L44-Y69 HydrophobicContact CG-CD2 4.01Å; L44-Y69 HydrophobicContact CG-CE2 3.92Å; L56-Y69 HydrophobicContact CD1-CD2 3.71Å; L56-Y69 HydrophobicContact CD1-CG 4.11Å; S65-Y69 WeakPolarHBondContact O-CB 3.27Å; S65-Y69 PolarHBondContact O-N 3.23Å; L66-Y69 WeakPolarHBondContact O-CB 3.39Å; L66-Y69 PolarHBondContact O-N 2.82Å; S67-Y69 PolarHBondContact O-N 3.01Å; Y69-E71 VanDerWaalsContact C-N 3.33Å; Y69-E71 PolarHBondContact O-N 3.42Å; Y69-L72 PolarHBondContact O-N 3.15Å; Y69-L73 HydrophobicContact CD1-CD1 3.8Å; Y69-L73 HydrophobicContact CE1-CD1 3.31Å; Y69-L73 HydrophobicContact CE1-CG 4.34Å; Y69-L73 HydrophobicContact CE2-CD1 4.21Å; Y69-L73 HydrophobicContact CG-CD1 4.44Å; Y69-L73 WeakPolarHBondContact O-CG 3.12Å; Y69-L73 PolarHBondContact O-N 3.37Å; Y69-F90 HydrophobicContact CE1-CZ 4.5Å; Y69-F90 WeakPolarHBondContact OH-CZ 3.33Å |
| 70 | I | 78.3 | Confident | 74.1 | Confident | 89 Ų | 89 | 72.6 Ų | 72.6 | 46% | 0.456 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 179.2 | -68.1 | 169.5 | 0 | 0 | 0 | 110.7 | L66 S67 S74 | L66-I70 HydrophobicContact CD1-CD1 3.91Å; L66-I70 HydrophobicContact CD1-CG1 4.24Å; L66-I70 HydrophobicContact CG-CD1 3.88Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.38Å; S67-I70 PolarHBondContact O-N 3.48Å; I70-S74 WeakPolarHBondContact O-CB 3.41Å; I70-S74 PolarHBondContact O-N 3.46Å; I70-S74 PolarHBondContact O-OG 3.41Å |
| 71 | E | 82.3 | Confident | 73.1 | Confident | 118 Ų | 118 | 69.8 Ų | 69.8 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.5 | -49.6 | 177.2 | -176.3 | 178.5 | -176.6 | 0 | 0 | 111.5 | S67 L68 Y69 S74 Q75 | S67-E71 WeakPolarHBondContact O-CB 3.44Å; S67-E71 PolarHBondContact O-N 3.47Å; L68-E71 PolarHBondContact O-N 2.88Å; Y69-E71 VanDerWaalsContact C-N 3.33Å; Y69-E71 PolarHBondContact O-N 3.42Å; E71-S74 PolarHBondContact O-N 2.64Å; E71-Q75 WeakPolarHBondContact O-CB 3.48Å; E71-Q75 PolarHBondContact O-N 3.3Å |
| 72 | L | 82.1 | Confident | 71.7 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 178.7 | -72 | 171.9 | 0 | 0 | 0 | 111.4 | L44 L68 Y69 S74 Q75 M76 | L44-L72 HydrophobicContact CD1-CD1 3.94Å; L44-L72 HydrophobicContact CD2-CB 4.33Å; L44-L72 HydrophobicContact CD2-CD1 4.3Å; L68-L72 HydrophobicContact CD1-CD1 4.22Å; L68-L72 HydrophobicContact CD1-CG 4.23Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 VanDerWaalsContact O-CG 3.29Å; L68-L72 WeakPolarHBondContact O-CG 3.14Å; L68-L72 PolarHBondContact O-N 3.22Å; Y69-L72 PolarHBondContact O-N 3.15Å; L72-S74 PolarHBondContact O-N 2.98Å; L72-Q75 WeakPolarHBondContact O-CB 3.25Å; L72-Q75 PolarHBondContact O-N 2.87Å; L72-M76 WeakPolarHBondContact O-CG 3.33Å; L72-M76 PolarHBondContact O-N 3.2Å |
| 73 | L | 78.8 | Confident | 70.8 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.6 | -70 | 179.1 | 0 | 0 | 0 | 112.2 | L47 Y69 Q75 M76 V77 F90 | L47-L73 HydrophobicContact CD1-CD2 3.72Å; Y69-L73 HydrophobicContact CD1-CD1 3.8Å; Y69-L73 HydrophobicContact CE1-CD1 3.31Å; Y69-L73 HydrophobicContact CE1-CG 4.34Å; Y69-L73 HydrophobicContact CE2-CD1 4.21Å; Y69-L73 HydrophobicContact CG-CD1 4.44Å; Y69-L73 WeakPolarHBondContact O-CG 3.12Å; Y69-L73 PolarHBondContact O-N 3.37Å; L73-Q75 VanDerWaalsContact C-N 3.28Å; L73-Q75 PolarHBondContact O-N 3.49Å; L73-M76 PolarHBondContact O-N 3.39Å; L73-M76 VanDerWaalsContact O-N 3.16Å; L73-V77 WeakPolarHBondContact O-CG2 3.38Å; L73-V77 PolarHBondContact O-N 2.92Å; L73-F90 HydrophobicContact CD1-CE2 4.05Å; L73-F90 HydrophobicContact CD1-CZ 3.67Å; L73-F90 HydrophobicContact CD2-CE2 3.63Å; L73-F90 HydrophobicContact CD2-CZ 4.14Å |
| 74 | S | 74.7 | Confident | 69.6 | Low | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.8 | -35.1 | 177.6 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | I70 E71 L72 R78 | I70-S74 WeakPolarHBondContact O-CB 3.41Å; I70-S74 PolarHBondContact O-N 3.46Å; I70-S74 PolarHBondContact O-OG 3.41Å; E71-S74 PolarHBondContact O-N 2.64Å; L72-S74 PolarHBondContact O-N 2.98Å; S74-R78 WeakPolarHBondContact O-CB 3.12Å; S74-R78 VanDerWaalsContact O-CG 3.28Å; S74-R78 WeakPolarHBondContact O-CG 3.34Å; S74-R78 PolarHBondContact O-N 3.49Å; S74-R78 VanDerWaalsContact O-N 3.13Å; S74-R78 PolarHBondContact O-NE 3.05Å; S74-R78 VanDerWaalsContact O-NE 3.1Å |
| 75 | Q | 75.9 | Confident | 67.9 | Low | 92 Ų | 92 | 72.2 Ų | 72.2 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 172.2 | -172.1 | 178.9 | 3.4 | 0 | 0 | 111.3 | E71 L72 L73 R78 L79 | E71-Q75 WeakPolarHBondContact O-CB 3.48Å; E71-Q75 PolarHBondContact O-N 3.3Å; L72-Q75 WeakPolarHBondContact O-CB 3.25Å; L72-Q75 PolarHBondContact O-N 2.87Å; L73-Q75 VanDerWaalsContact C-N 3.28Å; L73-Q75 PolarHBondContact O-N 3.49Å; Q75-R78 PolarHBondContact O-N 3.43Å; Q75-L79 HydrophobicContact CG-CD1 3.93Å; Q75-L79 HydrophobicContact CG-CG 4.47Å; Q75-L79 WeakPolarHBondContact O-CB 3.3Å; Q75-L79 WeakPolarHBondContact O-CG 3.23Å; Q75-L79 PolarHBondContact O-N 3.21Å |
| 76 | M | 69.3 | Low | 66.6 | Low | 36 Ų | 36 | 73.8 Ų | 73.8 | 18% | 0.177 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 177.8 | -70.2 | -170.2 | 69.1 | 0 | 0 | 112.6 | L47 Q49 L72 L73 R78 L79 A80 | L47-M76 HydrophobicContact CB-CE 3.81Å; L47-M76 HydrophobicContact CB-SD 4.08Å; L47-M76 HydrophobicContact CD1-CE 4.31Å; L47-M76 HydrophobicContact CD1-SD 4.07Å; L47-M76 HydrophobicContact CD2-CE 4.19Å; L47-M76 HydrophobicContact CG-CE 4.33Å; Q49-M76 HydrophobicContact CG-CE 4.4Å; Q49-M76 HydrophobicContact CG-SD 3.56Å; Q49-M76 VanDerWaalsContact CG-SD 3.56Å; L72-M76 WeakPolarHBondContact O-CG 3.33Å; L72-M76 PolarHBondContact O-N 3.2Å; L73-M76 PolarHBondContact O-N 3.39Å; L73-M76 VanDerWaalsContact O-N 3.16Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 2.99Å; M76-L79 PolarHBondContact O-N 3.26Å; M76-A80 WeakPolarHBondContact O-CB 3.44Å; M76-A80 PolarHBondContact O-N 3.15Å |
| 77 | V | 68.5 | Low | 65.8 | Low | 63 Ų | 63 | 73.7 Ų | 73.7 | 38% | 0.382 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.5 | 171 | 0 | 0 | 0 | 0 | 110.8 | L73 G81 | L73-V77 WeakPolarHBondContact O-CG2 3.38Å; L73-V77 PolarHBondContact O-N 2.92Å; V77-G81 PolarHBondContact O-N 2.97Å |
| 78 | R | 68.3 | Low | 64.8 | Low | 182 Ų | 182 | 75.7 Ų | 75.7 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 175.5 | -78.9 | -179.2 | -67.7 | -175 | 2 | 112.5 | S74 Q75 M76 | S74-R78 WeakPolarHBondContact O-CB 3.12Å; S74-R78 VanDerWaalsContact O-CG 3.28Å; S74-R78 WeakPolarHBondContact O-CG 3.34Å; S74-R78 PolarHBondContact O-N 3.49Å; S74-R78 VanDerWaalsContact O-N 3.13Å; S74-R78 PolarHBondContact O-NE 3.05Å; S74-R78 VanDerWaalsContact O-NE 3.1Å; Q75-R78 PolarHBondContact O-N 3.43Å; M76-R78 VanDerWaalsContact C-N 3.32Å; M76-R78 PolarHBondContact O-N 2.99Å |
| 79 | L | 63.4 | Low | 63.5 | Low | 139 Ų | 139 | 77.1 Ų | 77.1 | 73% | 0.728 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -73 | -35.5 | -177.2 | -71.7 | 172.7 | 0 | 0 | 0 | 113 | Q75 M76 G81 | Q75-L79 HydrophobicContact CG-CD1 3.93Å; Q75-L79 HydrophobicContact CG-CG 4.47Å; Q75-L79 WeakPolarHBondContact O-CB 3.3Å; Q75-L79 WeakPolarHBondContact O-CG 3.23Å; Q75-L79 PolarHBondContact O-N 3.21Å; M76-L79 PolarHBondContact O-N 3.26Å; L79-G81 VanDerWaalsContact C-N 3.34Å |
| 80 | A | 58.9 | Low | 62.7 | Low | 52 Ų | 52 | 78.3 Ų | 78.3 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -75.3 | -22 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M76 V82 L86 | M76-A80 WeakPolarHBondContact O-CB 3.44Å; M76-A80 PolarHBondContact O-N 3.15Å; A80-V82 WeakPolarHBondContact O-CG2 3.38Å; A80-V82 PolarHBondContact O-N 2.91Å; A80-L86 HydrophobicContact CB-CD1 4.06Å |
| 81 | G | 50.9 | Low | 62.2 | Low | 71 Ų | 71 | 77.6 Ų | 77.6 | 73% | 0.732 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 62.2 | 11.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V77 L79 | V77-G81 PolarHBondContact O-N 2.97Å; L79-G81 VanDerWaalsContact C-N 3.34Å |
| 82 | V | 43.7 | Very low | 61.6 | Low | 60 Ų | 60 | 75.1 Ų | 75.1 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | trans | -128.4 | 70.5 | -172.6 | -157 | 0 | 0 | 0 | 0 | 111.2 | A80 N84 R85 | A80-V82 WeakPolarHBondContact O-CG2 3.38Å; A80-V82 PolarHBondContact O-N 2.91Å; V82-N84 VanDerWaalsContact C-N 3.33Å; V82-N84 PolarHBondContact O-N 3.23Å; V82-R85 HydrophobicContact CG1-CB 3.66Å; V82-R85 HydrophobicContact CG1-CG 3.66Å | ||
| 83 | G | 48.2 | Very low | 61.2 | Low | 31 Ų | 31 | 74.8 Ų | 74.8 | 32% | 0.32 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.1 | -39.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 84 | N | 47.6 | Very low | 61.3 | Low | 137 Ų | 137 | 74.9 Ų | 74.9 | 73% | 0.733 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -85.5 | -14.9 | -169 | -64.9 | -23 | 0 | 0 | 0 | 115.9 | V82 | V82-N84 VanDerWaalsContact C-N 3.33Å; V82-N84 PolarHBondContact O-N 3.23Å |
| 85 | R | 41.7 | Very low | 61.6 | Low | 144 Ų | 144 | 74.1 Ų | 74.1 | 54% | 0.543 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -95.6 | -29.6 | -176.3 | -69.7 | -171.1 | 178.5 | -178.2 | -9.9 | 113.9 | V82 D87 S286 | V82-R85 HydrophobicContact CG1-CB 3.66Å; V82-R85 HydrophobicContact CG1-CG 3.66Å; R85-D87 VanDerWaalsContact C-N 3.35Å; R85-S286 PolarHBondContact NH1-O 2.88Å; R85-S286 PolarHBondContact NH2-O 3.35Å |
| 86 | L | 46.4 | Very low | 62.1 | Low | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 172 | -87 | 152.6 | 0 | 0 | 0 | 109.4 | L47 A80 E88 A89 F90 | L47-L86 HydrophobicContact CD2-CD2 3.68Å; A80-L86 HydrophobicContact CB-CD1 4.06Å; L86-E88 PolarHBondContact O-N 3.37Å; L86-A89 PolarHBondContact O-N 3.28Å; L86-F90 WeakPolarHBondContact O-CB 3.49Å; L86-F90 PolarHBondContact O-N 3.26Å |
| 87 | D | 59.3 | Low | 63.1 | Low | 57 Ų | 57 | 73 Ų | 73 | 31% | 0.305 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -34 | -58.5 | 175.3 | -94.6 | 21.6 | 0 | 0 | 0 | 117 | R85 R91 | R85-D87 VanDerWaalsContact C-N 3.35Å; D87-R91 WeakPolarHBondContact O-CB 3.41Å; D87-R91 VanDerWaalsContact O-CD 3.3Å; D87-R91 WeakPolarHBondContact O-CD 3.32Å; D87-R91 WeakPolarHBondContact O-CG 3.38Å; D87-R91 PolarHBondContact O-N 3.45Å; D87-R91 IonicContact OD1-NH2 3.21Å; D87-R91 IonicContact OD2-CZ 3.37Å; D87-R91 IonicContact OD2-NH1 3.12Å; D87-R91 IonicContact OD2-NH2 2.75Å; D87-R91 PolarHBondContact OD2-NH2 3.48Å |
| 88 | E | 56.4 | Low | 64.1 | Low | 115 Ų | 115 | 70.3 Ų | 70.3 | 54% | 0.537 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -79.1 | -42.7 | -173 | -170 | 62.8 | -163.8 | 0 | 0 | 114 | L86 F90 R91 S92 | L86-E88 PolarHBondContact O-N 3.37Å; E88-F90 VanDerWaalsContact C-N 3.31Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-R91 IonicContact OE2-NH1 2.62Å; E88-R91 PolarHBondContact OE2-NH1 3.15Å; E88-S92 PolarHBondContact O-N 3.5Å |
| 89 | A | 55.4 | Low | 65.2 | Low | 63 Ų | 63 | 66.2 Ų | 66.2 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | L86 S92 S93 | L86-A89 PolarHBondContact O-N 3.28Å; A89-S92 PolarHBondContact O-N 2.88Å; A89-S92 PolarHBondContact O-OG 3.28Å; A89-S93 WeakPolarHBondContact O-CB 3.44Å; A89-S93 PolarHBondContact O-N 3.08Å |
| 90 | F | 66.6 | Low | 66.5 | Low | 43 Ų | 43 | 62.4 Ų | 62.4 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58 | -45.3 | 173.1 | -177.9 | -87.8 | 0 | 0 | 0 | 112.2 | T43 L47 Y69 L73 L86 E88 S93 L94 | T43-F90 HydrophobicContact CG2-CD2 3.41Å; T43-F90 VanDerWaalsContact CG2-CD2 3.41Å; T43-F90 HydrophobicContact CG2-CE2 3.06Å; T43-F90 HydrophobicContact CG2-CG 4.38Å; T43-F90 HydrophobicContact CG2-CZ 3.78Å; L47-F90 HydrophobicContact CD1-CD2 4.01Å; L47-F90 HydrophobicContact CD1-CE2 3.98Å; Y69-F90 HydrophobicContact CE1-CZ 4.5Å; Y69-F90 WeakPolarHBondContact OH-CZ 3.33Å; L73-F90 HydrophobicContact CD1-CE2 4.05Å; L73-F90 HydrophobicContact CD1-CZ 3.67Å; L73-F90 HydrophobicContact CD2-CE2 3.63Å; L73-F90 HydrophobicContact CD2-CZ 4.14Å; L86-F90 WeakPolarHBondContact O-CB 3.49Å; L86-F90 PolarHBondContact O-N 3.26Å; E88-F90 VanDerWaalsContact C-N 3.31Å; F90-S93 PolarHBondContact O-N 3.4Å; F90-L94 WeakPolarHBondContact O-CB 3.08Å; F90-L94 PolarHBondContact O-N 3.39Å |
| 91 | R | 67.9 | Low | 68.1 | Low | 75 Ų | 75 | 59.9 Ų | 59.9 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.1 | -78.3 | 166 | -165.9 | 126.1 | 14.7 | 113.2 | D87 E88 S93 L94 L95 E133 | D87-R91 WeakPolarHBondContact O-CB 3.41Å; D87-R91 VanDerWaalsContact O-CD 3.3Å; D87-R91 WeakPolarHBondContact O-CD 3.32Å; D87-R91 WeakPolarHBondContact O-CG 3.38Å; D87-R91 PolarHBondContact O-N 3.45Å; D87-R91 IonicContact OD1-NH2 3.21Å; D87-R91 IonicContact OD2-CZ 3.37Å; D87-R91 IonicContact OD2-NH1 3.12Å; D87-R91 IonicContact OD2-NH2 2.75Å; D87-R91 PolarHBondContact OD2-NH2 3.48Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-R91 IonicContact OE2-NH1 2.62Å; E88-R91 PolarHBondContact OE2-NH1 3.15Å; R91-S93 VanDerWaalsContact C-N 3.33Å; R91-S93 PolarHBondContact O-N 3.3Å; R91-L94 PolarHBondContact O-N 2.88Å; R91-L95 PolarHBondContact O-N 3.2Å; R91-E133 WeakPolarHBondContact CB-OE1 3.34Å; R91-E133 WeakPolarHBondContact CD-OE1 3.36Å; R91-E133 VanDerWaalsContact CG-OE1 3.25Å; R91-E133 WeakPolarHBondContact CG-OE1 3.26Å; R91-E133 IonicContact NE-OE2 3.69Å |
| 92 | S | 68.6 | Low | 70.2 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 179.2 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | E88 A89 T96 | E88-S92 PolarHBondContact O-N 3.5Å; A89-S92 PolarHBondContact O-N 2.88Å; A89-S92 PolarHBondContact O-OG 3.28Å; S92-T96 PolarHBondContact O-N 3.37Å; S92-T96 PolarHBondContact O-OG1 3.18Å |
| 93 | S | 74.2 | Confident | 72.5 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 174.1 | 162 | 0 | 0 | 0 | 0 | 110.9 | E46 A89 F90 R91 L95 T96 H97 | E46-S93 VanDerWaalsContact OE2-CB 3.3Å; E46-S93 WeakPolarHBondContact OE2-CB 3.34Å; E46-S93 PolarHBondContact OE2-OG 3.02Å; A89-S93 WeakPolarHBondContact O-CB 3.44Å; A89-S93 PolarHBondContact O-N 3.08Å; F90-S93 PolarHBondContact O-N 3.4Å; R91-S93 VanDerWaalsContact C-N 3.33Å; R91-S93 PolarHBondContact O-N 3.3Å; S93-L95 VanDerWaalsContact C-N 3.35Å; S93-L95 PolarHBondContact O-N 3.1Å; S93-T96 WeakPolarHBondContact O-CB 3.31Å; S93-T96 PolarHBondContact O-N 3.06Å; S93-H97 PolarHBondContact O-N 3.03Å; S93-H97 PolarHBondContact O-ND1 3.37Å; S93-H97 PolarHBondContact OG-CE1 3.15Å; S93-H97 PolarHBondContact OG-ND1 3.11Å |
| 94 | L | 81.1 | Confident | 74.7 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.7 | -47.1 | -178.6 | -176.4 | 68 | 0 | 0 | 0 | 112.5 | C39 F90 R91 T96 H97 M98 L134 | C39-L94 HydrophobicContact CB-CD1 4.03Å; F90-L94 WeakPolarHBondContact O-CB 3.08Å; F90-L94 PolarHBondContact O-N 3.39Å; R91-L94 PolarHBondContact O-N 2.88Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.42Å; L94-H97 PolarHBondContact O-N 3.46Å; L94-M98 HydrophobicContact CD1-CE 4.26Å; L94-M98 WeakPolarHBondContact O-CB 3.41Å; L94-M98 VanDerWaalsContact O-CG 3.23Å; L94-M98 WeakPolarHBondContact O-CG 3.38Å; L94-M98 PolarHBondContact O-N 3.44Å; L94-L134 HydrophobicContact CD2-CD1 4.19Å |
| 95 | L | 82.3 | Confident | 76.8 | Confident | 39 Ų | 39 | 50 Ų | 50 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 178.3 | -174.6 | 70 | 0 | 0 | 0 | 112.3 | R91 S93 M98 R99 L134 R177 | R91-L95 PolarHBondContact O-N 3.2Å; S93-L95 VanDerWaalsContact C-N 3.35Å; S93-L95 PolarHBondContact O-N 3.1Å; L95-M98 PolarHBondContact O-N 3.12Å; L95-R99 PolarHBondContact O-N 3.48Å; L95-L134 HydrophobicContact CD1-CD2 4.04Å; L95-R177 HydrophobicContact CD1-CB 3.79Å; L95-R177 HydrophobicContact CD2-CB 4.41Å |
| 96 | T | 85.7 | Confident | 79.2 | Confident | 86 Ų | 86 | 43.6 Ų | 43.6 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 178.5 | -54.9 | 0 | 0 | 0 | 0 | 111 | S92 S93 L94 R99 T100 | S92-T96 PolarHBondContact O-N 3.37Å; S92-T96 PolarHBondContact O-OG1 3.18Å; S93-T96 WeakPolarHBondContact O-CB 3.31Å; S93-T96 PolarHBondContact O-N 3.06Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 3.42Å; T96-R99 PolarHBondContact O-N 3.49Å; T96-T100 PolarHBondContact O-N 3.05Å; T96-T100 VanDerWaalsContact O-N 3.09Å; T96-T100 PolarHBondContact O-OG1 2.83Å |
| 97 | H | 89.9 | Confident | 81.3 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | 173.4 | -67.2 | 105.8 | 0 | 0 | 0 | 112 | Y38 C39 Q42 E46 S93 L94 R99 T100 A101 | Y38-H97 HydrophobicContact CE1-CB 4.39Å; C39-H97 HydrophobicContact CB-CB 4.16Å; Q42-H97 WeakPolarHBondContact CB-CD2 3.49Å; E46-H97 IonicContact OE1-CE1 3.49Å; E46-H97 PolarHBondContact OE1-CE1 3.45Å; E46-H97 IonicContact OE1-NE2 2.77Å; E46-H97 IonicContact OE2-CE1 3.21Å; E46-H97 PolarHBondContact OE2-CE1 2.91Å; S93-H97 PolarHBondContact O-N 3.03Å; S93-H97 PolarHBondContact O-ND1 3.37Å; S93-H97 PolarHBondContact OG-CE1 3.15Å; S93-H97 PolarHBondContact OG-ND1 3.11Å; L94-H97 PolarHBondContact O-N 3.46Å; H97-R99 VanDerWaalsContact C-N 3.35Å; H97-R99 PolarHBondContact O-N 3.13Å; H97-T100 PolarHBondContact O-N 3.36Å; H97-A101 WeakPolarHBondContact O-CB 3.3Å; H97-A101 PolarHBondContact O-N 3.49Å |
| 98 | M | 90.3 | Very high | 82.9 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 176.6 | -74.1 | -78.8 | 177.3 | 0 | 0 | 111.1 | P19 V35 C39 L94 L95 T100 A101 Y102 L178 | P19-M98 HydrophobicContact CB-CE 4.5Å; P19-M98 HydrophobicContact CB-SD 4.07Å; V35-M98 HydrophobicContact CG1-SD 3.69Å; C39-M98 HydrophobicContact CB-CE 3.89Å; C39-M98 HydrophobicContact CB-CG 4.4Å; C39-M98 HydrophobicContact CB-SD 4.33Å; C39-M98 WeakPolarHBondContact SG-CA 3.19Å; C39-M98 VanDerWaalsContact SG-CG 3.51Å; C39-M98 PolarHBondContact SG-N 3.19Å; C39-M98 PolarHBondContact SG-SD 3.14Å; L94-M98 HydrophobicContact CD1-CE 4.26Å; L94-M98 WeakPolarHBondContact O-CB 3.41Å; L94-M98 VanDerWaalsContact O-CG 3.23Å; L94-M98 WeakPolarHBondContact O-CG 3.38Å; L94-M98 PolarHBondContact O-N 3.44Å; L95-M98 PolarHBondContact O-N 3.12Å; M98-T100 PolarHBondContact O-N 3.43Å; M98-A101 PolarHBondContact O-N 3.31Å; M98-Y102 HydrophobicContact CB-CE2 4.5Å; M98-Y102 WeakPolarHBondContact O-CD2 3.18Å; M98-Y102 PolarHBondContact O-N 3.37Å; M98-L178 HydrophobicContact CB-CD2 4.31Å; M98-L178 HydrophobicContact CG-CD2 4.34Å; M98-L178 HydrophobicContact SD-CD2 4.38Å |
| 99 | R | 90.4 | Very high | 84.5 | Confident | 96 Ų | 96 | 44 Ų | 44 | 36% | 0.362 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 177.2 | -178 | 175.4 | -172.7 | 134.4 | 12.5 | 112.2 | L95 T96 H97 A101 Y102 Q103 T181 E184 | L95-R99 PolarHBondContact O-N 3.48Å; T96-R99 PolarHBondContact O-N 3.49Å; H97-R99 VanDerWaalsContact C-N 3.35Å; H97-R99 PolarHBondContact O-N 3.13Å; R99-A101 VanDerWaalsContact C-N 3.35Å; R99-A101 PolarHBondContact O-N 3.07Å; R99-Y102 PolarHBondContact O-N 3.14Å; R99-Q103 PolarHBondContact O-N 3.26Å; R99-T181 HydrophobicContact CB-CG2 3.92Å; R99-T181 HydrophobicContact CG-CG2 3.92Å; R99-E184 IonicContact CZ-OE2 3.44Å; R99-E184 IonicContact NH1-OE2 3.15Å; R99-E184 PolarHBondContact NH1-OE2 2.88Å; R99-E184 IonicContact NH2-OE2 3.19Å; R99-E184 PolarHBondContact NH2-OE2 2.81Å |
| 100 | T | 91.3 | Very high | 86.1 | Confident | 59 Ų | 59 | 44.2 Ų | 44.2 | 36% | 0.362 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 178.9 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | T96 H97 M98 Q103 M104 | T96-T100 PolarHBondContact O-N 3.05Å; T96-T100 VanDerWaalsContact O-N 3.09Å; T96-T100 PolarHBondContact O-OG1 2.83Å; H97-T100 PolarHBondContact O-N 3.36Å; M98-T100 PolarHBondContact O-N 3.43Å; T100-Q103 PolarHBondContact O-N 3.23Å; T100-M104 HydrophobicContact CG2-CE 4.22Å; T100-M104 WeakPolarHBondContact O-CG 3.43Å; T100-M104 PolarHBondContact O-N 3.45Å |
| 101 | A | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F25 V35 Y38 H97 M98 R99 Q103 M104 R105 | F25-A101 HydrophobicContact CE2-CB 4.36Å; F25-A101 HydrophobicContact CZ-CB 4.31Å; V35-A101 HydrophobicContact CB-CB 4.2Å; V35-A101 HydrophobicContact CG1-CB 3.74Å; V35-A101 HydrophobicContact CG2-CB 4.14Å; Y38-A101 HydrophobicContact CD1-CB 3.57Å; Y38-A101 HydrophobicContact CE1-CB 4.16Å; Y38-A101 HydrophobicContact CG-CB 4.07Å; H97-A101 WeakPolarHBondContact O-CB 3.3Å; H97-A101 PolarHBondContact O-N 3.49Å; M98-A101 PolarHBondContact O-N 3.31Å; R99-A101 VanDerWaalsContact C-N 3.35Å; R99-A101 PolarHBondContact O-N 3.07Å; A101-Q103 VanDerWaalsContact C-N 3.31Å; A101-Q103 PolarHBondContact O-N 3.01Å; A101-M104 HydrophobicContact CB-CE 4.45Å; A101-M104 PolarHBondContact O-N 2.98Å; A101-R105 WeakPolarHBondContact O-CB 3.31Å; A101-R105 PolarHBondContact O-N 3.16Å |
| 102 | Y | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -38 | 174.5 | -79.8 | -59.9 | 0 | 0 | 0 | 112.5 | P19 V35 M98 R99 R105 F106 F112 L178 T181 L182 | P19-Y102 WeakPolarHBondContact CB-OH 3.38Å; P19-Y102 WeakPolarHBondContact CD-OH 3.16Å; V35-Y102 HydrophobicContact CB-CE1 4.49Å; V35-Y102 HydrophobicContact CG1-CD1 4.35Å; V35-Y102 HydrophobicContact CG1-CD2 4.2Å; V35-Y102 HydrophobicContact CG1-CE1 4.21Å; V35-Y102 HydrophobicContact CG1-CE2 4.03Å; V35-Y102 HydrophobicContact CG1-CG 4.35Å; V35-Y102 HydrophobicContact CG2-CD1 3.96Å; V35-Y102 HydrophobicContact CG2-CE1 4.11Å; V35-Y102 HydrophobicContact CG2-CG 4.49Å; M98-Y102 HydrophobicContact CB-CE2 4.5Å; M98-Y102 WeakPolarHBondContact O-CD2 3.18Å; M98-Y102 PolarHBondContact O-N 3.37Å; R99-Y102 PolarHBondContact O-N 3.14Å; Y102-R105 PolarHBondContact O-N 2.78Å; Y102-F106 WeakPolarHBondContact O-CB 3.38Å; Y102-F106 PolarHBondContact O-N 3.49Å; Y102-F112 AromaticContact CD1-CE2 3.91Å; Y102-F112 HydrophobicContact CD1-CE2 3.91Å; Y102-F112 AromaticContact CD1-CZ 3.6Å; Y102-F112 HydrophobicContact CD1-CZ 3.6Å; Y102-F112 HydrophobicContact CE1-CE2 4.08Å; Y102-F112 HydrophobicContact CE1-CZ 4.2Å; Y102-L178 HydrophobicContact CE2-CD2 3.96Å; Y102-T181 HydrophobicContact CD2-CG2 4.24Å; Y102-L182 HydrophobicContact CD1-CD2 3.73Å; Y102-L182 HydrophobicContact CE1-CD2 3.83Å; Y102-L182 HydrophobicContact CG-CD2 4.13Å |
| 103 | Q | 92.4 | Very high | 89.7 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.8 | -48.8 | 176.3 | -171.5 | 63.8 | 46.9 | 0 | 0 | 111 | R99 T100 A101 R105 F106 D107 | R99-Q103 PolarHBondContact O-N 3.26Å; T100-Q103 PolarHBondContact O-N 3.23Å; A101-Q103 VanDerWaalsContact C-N 3.31Å; A101-Q103 PolarHBondContact O-N 3.01Å; Q103-R105 VanDerWaalsContact C-N 3.27Å; Q103-R105 PolarHBondContact O-N 3.29Å; Q103-F106 WeakPolarHBondContact O-CB 3.23Å; Q103-F106 PolarHBondContact O-N 2.94Å; Q103-F106 VanDerWaalsContact O-N 3.14Å; Q103-D107 PolarHBondContact O-N 2.79Å; Q103-D107 VanDerWaalsContact O-N 3.1Å |
| 104 | M | 93.1 | Very high | 90.4 | Very high | 30 Ų | 30 | 51 Ų | 51 | 15% | 0.148 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 176 | -70 | -173.4 | -65.1 | 0 | 0 | 111.7 | F25 D27 Y38 T100 A101 D107 Q108 | F25-M104 HydrophobicContact CD2-CB 4.21Å; F25-M104 HydrophobicContact CD2-CE 4.48Å; F25-M104 HydrophobicContact CE2-CE 4.1Å; D27-M104 HydrophobicContact CB-CE 4.29Å; D27-M104 HydrophobicContact CB-SD 3.79Å; Y38-M104 HydrophobicContact CD1-CE 4.44Å; Y38-M104 HydrophobicContact CD2-CE 4.01Å; Y38-M104 HydrophobicContact CE1-CE 4.02Å; Y38-M104 HydrophobicContact CE2-CE 3.59Å; Y38-M104 HydrophobicContact CG-CE 4.41Å; T100-M104 HydrophobicContact CG2-CE 4.22Å; T100-M104 WeakPolarHBondContact O-CG 3.43Å; T100-M104 PolarHBondContact O-N 3.45Å; A101-M104 HydrophobicContact CB-CE 4.45Å; A101-M104 PolarHBondContact O-N 2.98Å; M104-D107 PolarHBondContact O-N 3.34Å; M104-Q108 WeakPolarHBondContact O-CB 3.47Å; M104-Q108 VanDerWaalsContact O-CG 3.26Å; M104-Q108 WeakPolarHBondContact O-CG 3.45Å; M104-Q108 PolarHBondContact O-N 3.36Å |
| 105 | R | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 176.6 | -172.3 | 175.6 | 176.8 | -157.7 | -4.8 | 112.3 | V16 C23 V35 A101 Y102 Q103 D107 Q108 D109 F112 | V16-R105 PolarHBondContact O-NH1 3.2Å; V16-R105 PolarHBondContact O-NH2 2.66Å; C23-R105 VanDerWaalsContact SG-CZ 3.5Å; C23-R105 PolarHBondContact SG-NE 2.95Å; V35-R105 HydrophobicContact CG2-CB 4.45Å; A101-R105 WeakPolarHBondContact O-CB 3.31Å; A101-R105 PolarHBondContact O-N 3.16Å; Y102-R105 PolarHBondContact O-N 2.78Å; Q103-R105 VanDerWaalsContact C-N 3.27Å; Q103-R105 PolarHBondContact O-N 3.29Å; R105-D107 PolarHBondContact O-N 2.99Å; R105-Q108 PolarHBondContact O-N 3.29Å; R105-D109 HydrophobicContact CG-CB 3.73Å; R105-D109 IonicContact CZ-OD2 3.01Å; R105-D109 IonicContact NE-OD2 3.49Å; R105-D109 PolarHBondContact NE-OD2 3.5Å; R105-D109 IonicContact NH2-OD2 2.57Å; R105-D109 PolarHBondContact NH2-OD2 3.37Å; R105-D109 VanDerWaalsContact NH2-OD2 3.15Å; R105-D109 WeakPolarHBondContact O-CA 3.31Å; R105-D109 VanDerWaalsContact O-CB 3.3Å; R105-D109 WeakPolarHBondContact O-CB 3.47Å; R105-D109 PolarHBondContact O-N 3.34Å; R105-F112 HydrophobicContact CG-CB 4.13Å; R105-F112 HydrophobicContact CG-CD1 4.07Å; R105-F112 HydrophobicContact CG-CD2 4.34Å; R105-F112 HydrophobicContact CG-CG 3.93Å |
| 106 | F | 92.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -37.1 | 174.5 | -175.5 | -98.2 | 0 | 0 | 0 | 112.4 | Y102 Q103 F112 K113 L116 I117 I185 | Y102-F106 WeakPolarHBondContact O-CB 3.38Å; Y102-F106 PolarHBondContact O-N 3.49Å; Q103-F106 WeakPolarHBondContact O-CB 3.23Å; Q103-F106 PolarHBondContact O-N 2.94Å; Q103-F106 VanDerWaalsContact O-N 3.14Å; F106-F112 HydrophobicContact CB-CD1 4.29Å; F106-F112 HydrophobicContact CB-CE1 4Å; F106-F112 HydrophobicContact CD2-CD1 4.39Å; F106-F112 HydrophobicContact CD2-CE1 4.19Å; F106-K113 HydrophobicContact CD2-CB 4.28Å; F106-K113 HydrophobicContact CD2-CG 4.11Å; F106-K113 HydrophobicContact CE1-CD 4.33Å; F106-K113 HydrophobicContact CE1-CG 4.4Å; F106-K113 HydrophobicContact CE2-CB 4.32Å; F106-K113 HydrophobicContact CE2-CD 4.49Å; F106-K113 HydrophobicContact CE2-CG 3.72Å; F106-K113 HydrophobicContact CZ-CD 4.25Å; F106-K113 HydrophobicContact CZ-CG 3.89Å; F106-L116 HydrophobicContact CD2-CD2 3.78Å; F106-L116 HydrophobicContact CE2-CD2 3.99Å; F106-I117 HydrophobicContact CE2-CD1 4.46Å; F106-I117 HydrophobicContact CE2-CG1 4.31Å; F106-I117 HydrophobicContact CZ-CD1 4.29Å; F106-I117 HydrophobicContact CZ-CG1 4.47Å; F106-I185 HydrophobicContact CB-CG2 3.86Å; F106-I185 HydrophobicContact CD1-CG2 4.08Å; F106-I185 HydrophobicContact CD2-CG2 3.76Å; F106-I185 HydrophobicContact CE2-CG2 4.26Å; F106-I185 HydrophobicContact CG-CG2 3.63Å |
| 107 | D | 89.5 | Confident | 91.4 | Very high | 105 Ų | 105 | 51.2 Ų | 51.2 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -78.7 | -31 | -179.8 | -65 | -32.2 | 0 | 0 | 0 | 113 | Q103 M104 R105 | Q103-D107 PolarHBondContact O-N 2.79Å; Q103-D107 VanDerWaalsContact O-N 3.1Å; M104-D107 PolarHBondContact O-N 3.34Å; R105-D107 PolarHBondContact O-N 2.99Å |
| 108 | Q | 92.7 | Very high | 91.1 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -105.5 | -29.1 | -170.2 | -62.7 | 174.8 | 38.6 | 0 | 0 | 114.6 | F25 S26 M104 R105 | F25-Q108 HydrophobicContact CB-CB 4.43Å; S26-Q108 PolarHBondContact O-NE2 3.34Å; S26-Q108 PolarHBondContact O-OE1 3.05Å; M104-Q108 WeakPolarHBondContact O-CB 3.47Å; M104-Q108 VanDerWaalsContact O-CG 3.26Å; M104-Q108 WeakPolarHBondContact O-CG 3.45Å; M104-Q108 PolarHBondContact O-N 3.36Å; R105-Q108 PolarHBondContact O-N 3.29Å |
| 109 | D | 91 | Very high | 90.9 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | trans | -102.9 | 98.9 | -177.7 | 178.5 | -5.9 | 0 | 0 | 0 | 110.3 | R105 Q111 F112 K113 | R105-D109 HydrophobicContact CG-CB 3.73Å; R105-D109 IonicContact CZ-OD2 3.01Å; R105-D109 IonicContact NE-OD2 3.49Å; R105-D109 PolarHBondContact NE-OD2 3.5Å; R105-D109 IonicContact NH2-OD2 2.57Å; R105-D109 PolarHBondContact NH2-OD2 3.37Å; R105-D109 VanDerWaalsContact NH2-OD2 3.15Å; R105-D109 WeakPolarHBondContact O-CA 3.31Å; R105-D109 VanDerWaalsContact O-CB 3.3Å; R105-D109 WeakPolarHBondContact O-CB 3.47Å; R105-D109 PolarHBondContact O-N 3.34Å; D109-Q111 PolarHBondContact O-N 3.37Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.39Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.36Å; D109-Q111 PolarHBondContact OD1-N 2.97Å; D109-F112 HydrophobicContact CB-CB 3.9Å; D109-F112 VanDerWaalsContact CG-CB 3.49Å; D109-F112 PolarHBondContact O-N 3.35Å; D109-F112 PolarHBondContact OD1-N 2.85Å; D109-F112 WeakPolarHBondContact OD2-CB 3.41Å; D109-K113 PolarHBondContact O-N 3.08Å | ||
| 110 | A | 88.5 | Confident | 90.4 | Very high | 67 Ų | 67 | 50.8 Ų | 50.8 | 55% | 0.554 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.4 | -21.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R114 | A110-R114 WeakPolarHBondContact O-CB 3.46Å; A110-R114 WeakPolarHBondContact O-CG 3.42Å; A110-R114 PolarHBondContact O-N 3.15Å; A110-R114 PolarHBondContact O-NE 3.21Å; A110-R114 VanDerWaalsContact O-NE 3.1Å |
| 111 | Q | 91.9 | Very high | 89.7 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -75.1 | -50.4 | 173.7 | -175.4 | -177.4 | -9 | 0 | 0 | 109.7 | V16 D109 K113 R114 E115 | V16-Q111 HydrophobicContact CG1-CG 4.18Å; V16-Q111 HydrophobicContact CG2-CG 4.4Å; D109-Q111 PolarHBondContact O-N 3.37Å; D109-Q111 WeakPolarHBondContact OD1-CA 3.39Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.36Å; D109-Q111 PolarHBondContact OD1-N 2.97Å; Q111-K113 VanDerWaalsContact C-N 3.33Å; Q111-K113 PolarHBondContact O-N 2.73Å; Q111-R114 PolarHBondContact O-N 3.44Å; Q111-E115 WeakPolarHBondContact O-CG 3.41Å; Q111-E115 PolarHBondContact O-N 3.3Å |
| 112 | F | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.8 | -46 | 175.9 | 176.2 | -91 | 0 | 0 | 0 | 112.2 | V16 L17 Y102 R105 F106 D109 R114 E115 L116 L182 | V16-F112 HydrophobicContact CG1-CB 4.13Å; V16-F112 HydrophobicContact CG1-CD2 4.43Å; L17-F112 HydrophobicContact CD2-CD2 3.73Å; L17-F112 HydrophobicContact CD2-CE2 3.64Å; L17-F112 HydrophobicContact CD2-CG 4.47Å; L17-F112 HydrophobicContact CD2-CZ 4.29Å; Y102-F112 AromaticContact CD1-CE2 3.91Å; Y102-F112 HydrophobicContact CD1-CE2 3.91Å; Y102-F112 AromaticContact CD1-CZ 3.6Å; Y102-F112 HydrophobicContact CD1-CZ 3.6Å; Y102-F112 HydrophobicContact CE1-CE2 4.08Å; Y102-F112 HydrophobicContact CE1-CZ 4.2Å; R105-F112 HydrophobicContact CG-CB 4.13Å; R105-F112 HydrophobicContact CG-CD1 4.07Å; R105-F112 HydrophobicContact CG-CD2 4.34Å; R105-F112 HydrophobicContact CG-CG 3.93Å; F106-F112 HydrophobicContact CB-CD1 4.29Å; F106-F112 HydrophobicContact CB-CE1 4Å; F106-F112 HydrophobicContact CD2-CD1 4.39Å; F106-F112 HydrophobicContact CD2-CE1 4.19Å; D109-F112 HydrophobicContact CB-CB 3.9Å; D109-F112 VanDerWaalsContact CG-CB 3.49Å; D109-F112 PolarHBondContact O-N 3.35Å; D109-F112 PolarHBondContact OD1-N 2.85Å; D109-F112 WeakPolarHBondContact OD2-CB 3.41Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-R114 PolarHBondContact O-N 3.02Å; F112-E115 PolarHBondContact O-N 3.04Å; F112-L116 HydrophobicContact CE1-CD2 3.99Å; F112-L116 HydrophobicContact CZ-CD2 4.22Å; F112-L116 WeakPolarHBondContact O-CB 3.47Å; F112-L116 PolarHBondContact O-N 3.21Å; F112-L182 HydrophobicContact CE2-CD2 4.07Å; F112-L182 HydrophobicContact CZ-CD2 3.55Å |
| 113 | K | 92.2 | Very high | 88.6 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 176.9 | -176.3 | 169.7 | -168.7 | 161.2 | 0 | 112.4 | F106 D109 Q111 I117 | F106-K113 HydrophobicContact CD2-CB 4.28Å; F106-K113 HydrophobicContact CD2-CG 4.11Å; F106-K113 HydrophobicContact CE1-CD 4.33Å; F106-K113 HydrophobicContact CE1-CG 4.4Å; F106-K113 HydrophobicContact CE2-CB 4.32Å; F106-K113 HydrophobicContact CE2-CD 4.49Å; F106-K113 HydrophobicContact CE2-CG 3.72Å; F106-K113 HydrophobicContact CZ-CD 4.25Å; F106-K113 HydrophobicContact CZ-CG 3.89Å; D109-K113 PolarHBondContact O-N 3.08Å; Q111-K113 VanDerWaalsContact C-N 3.33Å; Q111-K113 PolarHBondContact O-N 2.73Å; K113-I117 HydrophobicContact CG-CD1 3.86Å; K113-I117 WeakPolarHBondContact O-CB 3.48Å; K113-I117 VanDerWaalsContact O-CG1 3.27Å; K113-I117 WeakPolarHBondContact O-CG1 3.38Å; K113-I117 PolarHBondContact O-N 3.16Å |
| 114 | R | 89.6 | Confident | 88.5 | Confident | 179 Ų | 179 | 51.4 Ų | 51.4 | 68% | 0.675 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66 | -44.6 | 178.8 | -80.7 | -175.9 | -65.6 | 163.5 | 1.6 | 112.3 | A110 Q111 F112 G118 | A110-R114 WeakPolarHBondContact O-CB 3.46Å; A110-R114 WeakPolarHBondContact O-CG 3.42Å; A110-R114 PolarHBondContact O-N 3.15Å; A110-R114 PolarHBondContact O-NE 3.21Å; A110-R114 VanDerWaalsContact O-NE 3.1Å; Q111-R114 PolarHBondContact O-N 3.44Å; F112-R114 VanDerWaalsContact C-N 3.34Å; F112-R114 PolarHBondContact O-N 3.02Å; R114-G118 WeakPolarHBondContact O-CA 3.32Å; R114-G118 PolarHBondContact O-N 3.01Å |
| 115 | E | 89.7 | Confident | 88.2 | Confident | 102 Ų | 102 | 50.3 Ų | 50.3 | 48% | 0.477 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.4 | -69.2 | -65 | 158.3 | 0 | 0 | 111.4 | V16 L17 Q111 F112 G118 T119 | V16-E115 HydrophobicContact CB-CG 4.15Å; V16-E115 HydrophobicContact CG1-CB 4.49Å; V16-E115 HydrophobicContact CG1-CG 4.2Å; V16-E115 HydrophobicContact CG2-CG 4.26Å; L17-E115 HydrophobicContact CD2-CB 4.17Å; Q111-E115 WeakPolarHBondContact O-CG 3.41Å; Q111-E115 PolarHBondContact O-N 3.3Å; F112-E115 PolarHBondContact O-N 3.04Å; E115-G118 WeakPolarHBondContact O-CA 3.47Å; E115-G118 PolarHBondContact O-N 2.79Å; E115-T119 WeakPolarHBondContact O-CG2 3.47Å; E115-T119 PolarHBondContact O-N 2.68Å |
| 116 | L | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -46.9 | 179.8 | -177.3 | 58.7 | 0 | 0 | 0 | 111.6 | L17 F106 F112 G118 T119 I124 L182 I185 R186 | L17-L116 HydrophobicContact CD1-CD1 4.39Å; L17-L116 HydrophobicContact CD2-CB 3.83Å; L17-L116 HydrophobicContact CD2-CD1 4.3Å; F106-L116 HydrophobicContact CD2-CD2 3.78Å; F106-L116 HydrophobicContact CE2-CD2 3.99Å; F112-L116 HydrophobicContact CE1-CD2 3.99Å; F112-L116 HydrophobicContact CZ-CD2 4.22Å; F112-L116 WeakPolarHBondContact O-CB 3.47Å; F112-L116 PolarHBondContact O-N 3.21Å; L116-G118 VanDerWaalsContact C-N 3.26Å; L116-G118 PolarHBondContact O-N 3.3Å; L116-T119 WeakPolarHBondContact O-CB 3.31Å; L116-T119 PolarHBondContact O-N 3.3Å; L116-T119 PolarHBondContact O-OG1 2.89Å; L116-I124 HydrophobicContact CD1-CD1 3.56Å; L116-L182 HydrophobicContact CD1-CB 3.9Å; L116-L182 HydrophobicContact CD1-CD2 4.27Å; L116-L182 HydrophobicContact CD2-CD2 4.34Å; L116-I185 HydrophobicContact CD2-CB 4.37Å; L116-I185 HydrophobicContact CD2-CG2 4.08Å; L116-R186 HydrophobicContact CD1-CB 4.22Å; L116-R186 HydrophobicContact CD2-CB 4.28Å; L116-R186 HydrophobicContact CG-CB 3.97Å; L116-R186 HydrophobicContact CG-CG 4.43Å |
| 117 | I | 88.1 | Confident | 87.5 | Confident | 60 Ų | 60 | 50.5 Ų | 50.5 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 173.5 | -67.6 | 171.4 | 0 | 0 | 0 | 110.5 | F106 K113 T119 G120 | F106-I117 HydrophobicContact CE2-CD1 4.46Å; F106-I117 HydrophobicContact CE2-CG1 4.31Å; F106-I117 HydrophobicContact CZ-CD1 4.29Å; F106-I117 HydrophobicContact CZ-CG1 4.47Å; K113-I117 HydrophobicContact CG-CD1 3.86Å; K113-I117 WeakPolarHBondContact O-CB 3.48Å; K113-I117 VanDerWaalsContact O-CG1 3.27Å; K113-I117 WeakPolarHBondContact O-CG1 3.38Å; K113-I117 PolarHBondContact O-N 3.16Å; I117-T119 PolarHBondContact O-N 2.96Å; I117-G120 PolarHBondContact O-N 3.34Å |
| 118 | G | 83.8 | Confident | 86.9 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.3 | -21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R114 E115 L116 G120 | R114-G118 WeakPolarHBondContact O-CA 3.32Å; R114-G118 PolarHBondContact O-N 3.01Å; E115-G118 WeakPolarHBondContact O-CA 3.47Å; E115-G118 PolarHBondContact O-N 2.79Å; L116-G118 VanDerWaalsContact C-N 3.26Å; L116-G118 PolarHBondContact O-N 3.3Å; G118-G120 PolarHBondContact O-N 2.88Å |
| 119 | T | 85.6 | Confident | 85.8 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.8 | 171 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | C8 L17 E115 L116 I117 V121 D122 I124 R186 | C8-T119 HydrophobicContact CB-CG2 4.33Å; L17-T119 HydrophobicContact CD1-CG2 3.95Å; E115-T119 WeakPolarHBondContact O-CG2 3.47Å; E115-T119 PolarHBondContact O-N 2.68Å; L116-T119 WeakPolarHBondContact O-CB 3.31Å; L116-T119 PolarHBondContact O-N 3.3Å; L116-T119 PolarHBondContact O-OG1 2.89Å; I117-T119 PolarHBondContact O-N 2.96Å; T119-V121 PolarHBondContact O-N 3.21Å; T119-D122 WeakPolarHBondContact O-CB 3.5Å; T119-D122 PolarHBondContact O-N 2.81Å; T119-I124 HydrophobicContact CG2-CD1 4.18Å; T119-I124 HydrophobicContact CG2-CG1 4.38Å; T119-R186 VanDerWaalsContact OG1-CD 3.29Å; T119-R186 WeakPolarHBondContact OG1-CD 3.23Å; T119-R186 PolarHBondContact OG1-NH1 3.18Å |
| 120 | G | 79.9 | Confident | 84.8 | Confident | 35 Ų | 35 | 52 Ų | 52 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -121.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | I117 G118 R186 | I117-G120 PolarHBondContact O-N 3.34Å; G118-G120 PolarHBondContact O-N 2.88Å; G120-R186 VanDerWaalsContact O-CD 3.26Å; G120-R186 WeakPolarHBondContact O-CD 3.43Å; G120-R186 PolarHBondContact O-NE 3.38Å; G120-R186 VanDerWaalsContact O-NE 3.15Å; G120-R186 PolarHBondContact O-NH1 3.13Å; G120-R186 VanDerWaalsContact O-NH1 3.12Å |
| 121 | V | 76.7 | Confident | 84.1 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 56% | 0.558 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 7.2 | 177.6 | -64 | 0 | 0 | 0 | 0 | 112.6 | T119 | T119-V121 PolarHBondContact O-N 3.21Š|
| 122 | D | 81.5 | Confident | 83.2 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 141.7 | -176.2 | -69.1 | -16 | 0 | 0 | 0 | 110.2 | G6 T119 I124 R186 | G6-D122 WeakPolarHBondContact CA-OD2 3.41Å; G6-D122 VanDerWaalsContact N-CG 3.33Å; G6-D122 PolarHBondContact N-OD1 3.29Å; G6-D122 PolarHBondContact N-OD2 3.35Å; T119-D122 WeakPolarHBondContact O-CB 3.5Å; T119-D122 PolarHBondContact O-N 2.81Å; D122-I124 PolarHBondContact O-N 2.7Å; D122-R186 PolarHBondContact O-NH1 2.94Å |
| 123 | P | 83.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 132.8 | 175 | 25.5 | -31.8 | 0 | 0 | 0 | 110.1 | I7 C8 I154 L157 M158 | I7-P123 HydrophobicContact CG1-CG 4.23Å; I7-P123 HydrophobicContact CG2-CG 4.34Å; C8-P123 PolarHBondContact N-O 3.48Å; P123-I154 HydrophobicContact CG-CG2 4.01Å; P123-L157 HydrophobicContact CB-CD2 4.26Å; P123-L157 HydrophobicContact CG-CD2 3.85Å; P123-M158 HydrophobicContact CB-CG 4.4Å; P123-M158 HydrophobicContact CB-SD 4.11Å; P123-M158 HydrophobicContact CG-CG 4.19Å; P123-M158 HydrophobicContact CG-SD 4.3Å |
| 124 | I | 89.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118 | 177.1 | -54 | 175.2 | 0 | 0 | 0 | 108.4 | C8 I10 L116 T119 D122 N176 G179 L182 M183 | C8-I124 HydrophobicContact CB-CG1 4.28Å; C8-I124 WeakPolarHBondContact O-CA 3.28Å; I10-I124 HydrophobicContact CD1-CG2 3.52Å; I10-I124 HydrophobicContact CG1-CG2 4.18Å; L116-I124 HydrophobicContact CD1-CD1 3.56Å; T119-I124 HydrophobicContact CG2-CD1 4.18Å; T119-I124 HydrophobicContact CG2-CG1 4.38Å; D122-I124 PolarHBondContact O-N 2.7Å; I124-N176 PolarHBondContact O-ND2 3.25Å; I124-G179 VanDerWaalsContact O-CA 3.29Å; I124-G179 WeakPolarHBondContact O-CA 3.41Å; I124-L182 HydrophobicContact CD1-CB 3.89Å; I124-L182 HydrophobicContact CG2-CD1 4.06Å; I124-M183 HydrophobicContact CB-CG 4.01Å; I124-M183 HydrophobicContact CB-SD 4.46Å; I124-M183 HydrophobicContact CD1-CG 3.83Å; I124-M183 HydrophobicContact CG1-CG 3.81Å; I124-M183 PolarHBondContact N-SD 2.75Å |
| 125 | L | 87.7 | Confident | 81.5 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.5 | 179 | -60.8 | -170.7 | 0 | 0 | 0 | 111.3 | I7 C8 L9 I10 V136 L143 L157 N176 | I7-L125 HydrophobicContact CG2-CD1 4Å; I7-L125 HydrophobicContact CG2-CG 4.08Å; C8-L125 PolarHBondContact O-N 3.36Å; L9-L125 WeakPolarHBondContact CA-O 3.45Å; L9-L125 HydrophobicContact CD2-CB 3.92Å; L9-L125 HydrophobicContact CD2-CD1 4.33Å; I10-L125 PolarHBondContact N-O 2.9Å; L125-V136 HydrophobicContact CB-CG2 4.12Å; L125-V136 HydrophobicContact CD1-CG2 4.48Å; L125-V136 HydrophobicContact CD2-CG2 4.35Å; L125-L143 HydrophobicContact CD1-CD2 3.7Å; L125-L157 HydrophobicContact CD1-CD1 4.49Å; L125-L157 HydrophobicContact CD1-CD2 3.64Å; L125-L157 HydrophobicContact CD1-CG 4.35Å; L125-L157 HydrophobicContact CG-CD2 4.28Å; L125-N176 WeakPolarHBondContact CA-OD1 3Å; L125-N176 HydrophobicContact CD2-CB 4.48Å; L125-N176 WeakPolarHBondContact CD2-ND2 3.45Å |
| 126 | F | 86.9 | Confident | 81.2 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 109.7 | 174.6 | -158.3 | -96.2 | 0 | 0 | 0 | 109.6 | I10 H18 P19 D128 G135 V136 N176 L178 | I10-F126 HydrophobicContact CB-CD2 3.77Å; I10-F126 HydrophobicContact CB-CE2 4.2Å; I10-F126 HydrophobicContact CD1-CD2 4.41Å; I10-F126 HydrophobicContact CG2-CD2 3.64Å; I10-F126 HydrophobicContact CG2-CE2 3.53Å; H18-F126 AromaticContact CD2-CE2 3.54Å; H18-F126 AromaticContact CD2-CZ 3.46Å; H18-F126 VanDerWaalsContact CD2-CZ 3.46Å; H18-F126 WeakPolarHBondContact CD2-CZ 3.49Å; H18-F126 AromaticContact NE2-CE2 3.95Å; H18-F126 AromaticContact NE2-CZ 3.35Å; H18-F126 WeakPolarHBondContact NE2-CZ 3.43Å; P19-F126 VanDerWaalsContact CD-CE2 3.5Å; P19-F126 HydrophobicContact CG-CE2 4.29Å; P19-F126 HydrophobicContact CG-CZ 4.12Å; F126-D128 HydrophobicContact CD1-CB 4.01Å; F126-D128 HydrophobicContact CE1-CB 3.85Å; F126-D128 PolarHBondContact O-N 3.41Å; F126-G135 WeakPolarHBondContact O-CA 3.39Å; F126-V136 WeakPolarHBondContact O-CB 3.42Å; F126-V136 PolarHBondContact O-N 3.34Å; F126-N176 PolarHBondContact N-OD1 2.88Å; F126-L178 HydrophobicContact CB-CB 4.43Å; F126-L178 HydrophobicContact CD1-CD1 4.04Å; F126-L178 HydrophobicContact CD2-CD1 4.17Å; F126-L178 HydrophobicContact CE1-CD1 4.09Å; F126-L178 HydrophobicContact CE2-CD1 4.24Å; F126-L178 HydrophobicContact CG-CB 4.47Å; F126-L178 HydrophobicContact CG-CD1 4.07Å; F126-L178 HydrophobicContact CZ-CD1 4.18Å |
| 127 | T | 84.1 | Confident | 80.7 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | trans | -104.8 | 54.1 | -171.1 | 58.4 | 0 | 0 | 0 | 0 | 112 | L9 I10 D11 M138 L143 | L9-T127 HydrophobicContact CB-CG2 4.3Å; L9-T127 HydrophobicContact CD2-CG2 3.81Å; L9-T127 HydrophobicContact CG-CG2 4.46Å; I10-T127 PolarHBondContact O-N 3.14Å; I10-T127 PolarHBondContact O-OG1 3.45Å; D11-T127 WeakPolarHBondContact CB-OG1 3.48Å; T127-M138 CarbonylContact C-O 3.21Å; T127-M138 VanDerWaalsContact C-O 3.24Å; T127-M138 VanDerWaalsContact CA-O 3.26Å; T127-M138 WeakPolarHBondContact CA-O 3.45Å; T127-M138 VanDerWaalsContact CB-O 3.3Å; T127-M138 WeakPolarHBondContact CB-O 3.26Å; T127-L143 HydrophobicContact CG2-CD2 3.54Å | ||
| 128 | D | 76.2 | Confident | 80.3 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | trans | -76 | 134.6 | 164.3 | -163.2 | -18 | 0 | 0 | 0 | 108.8 | F126 D130 D131 G137 M138 | F126-D128 HydrophobicContact CD1-CB 4.01Å; F126-D128 HydrophobicContact CE1-CB 3.85Å; F126-D128 PolarHBondContact O-N 3.41Å; D128-D130 VanDerWaalsContact C-N 3.29Å; D128-D130 PolarHBondContact O-N 2.88Å; D128-D130 PolarHBondContact OD1-N 3.47Å; D128-D131 HydrophobicContact CB-CB 4.25Å; D128-G137 CarbonylContact O-C 3.39Å; D128-G137 WeakPolarHBondContact O-CA 3.49Å; D128-G137 PolarHBondContact O-N 2.68Å; D128-M138 PolarHBondContact O-N 2.72Å; D128-M138 VanDerWaalsContact O-N 3.1Å | ||
| 129 | G | 70 | Confident | 80.3 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -68.1 | -30.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G137 | G129-G137 CarbonylContact O-C 2.88Š|
| 130 | D | 68.9 | Low | 80.3 | Confident | 157 Ų | 157 | 38.6 Ų | 38.6 | 84% | 0.84 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -105.9 | -17.5 | -169.2 | -63.6 | -35.3 | 0 | 0 | 0 | 113.4 | D128 | D128-D130 VanDerWaalsContact C-N 3.29Å; D128-D130 PolarHBondContact O-N 2.88Å; D128-D130 PolarHBondContact OD1-N 3.47Å |
| 131 | D | 74 | Confident | 80.5 | Confident | 44 Ų | 44 | 42.1 Ų | 42.1 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | trans | -103.2 | 96.5 | -175 | -165.5 | -20.6 | 0 | 0 | 0 | 112.7 | D128 E133 L134 G135 G137 | D128-D131 HydrophobicContact CB-CB 4.25Å; D131-E133 WeakPolarHBondContact OD1-CA 3.36Å; D131-E133 PolarHBondContact OD1-N 3.09Å; D131-L134 PolarHBondContact OD1-N 2.86Å; D131-L134 WeakPolarHBondContact OD2-CB 3.47Å; D131-G135 CarbonylContact O-C 3.53Å; D131-G135 VanDerWaalsContact O-CA 3.24Å; D131-G135 WeakPolarHBondContact O-CA 3.48Å; D131-G135 PolarHBondContact O-N 3.2Å; D131-G137 WeakPolarHBondContact O-CA 3.36Å; D131-G137 PolarHBondContact O-N 3.45Å | ||
| 132 | R | 74.4 | Confident | 80.8 | Confident | 132 Ų | 132 | 43.3 Ų | 43.3 | 50% | 0.498 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -9.3 | 172.6 | -69 | -177.7 | 97.8 | -176.3 | 0.1 | 113.7 | G135 T171 I172 G174 E175 | R132-G135 CarbonylContact C-O 3.43Å; R132-T171 PolarHBondContact NH2-O 3.1Å; R132-I172 PolarHBondContact NH2-O 3.3Å; R132-G174 CarbonylContact O-C 3.24Å; R132-G174 WeakPolarHBondContact O-CA 3.04Å; R132-E175 PolarHBondContact O-N 3.4Å |
| 133 | E | 74.4 | Confident | 80.9 | Confident | 68 Ų | 68 | 41.4 Ų | 41.4 | 32% | 0.318 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -51.8 | -173.9 | -171.3 | 178.8 | 167.2 | 0 | 0 | 110.8 | R91 D131 | R91-E133 WeakPolarHBondContact CB-OE1 3.34Å; R91-E133 WeakPolarHBondContact CD-OE1 3.36Å; R91-E133 VanDerWaalsContact CG-OE1 3.25Å; R91-E133 WeakPolarHBondContact CG-OE1 3.26Å; R91-E133 IonicContact NE-OE2 3.69Å; D131-E133 WeakPolarHBondContact OD1-CA 3.36Å; D131-E133 PolarHBondContact OD1-N 3.09Å |
| 134 | L | 81 | Confident | 80.9 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -31.1 | 176.1 | -64.7 | -179.5 | 0 | 0 | 0 | 112 | L94 L95 D131 N176 R177 L178 | L94-L134 HydrophobicContact CD2-CD1 4.19Å; L95-L134 HydrophobicContact CD1-CD2 4.04Å; D131-L134 PolarHBondContact OD1-N 2.86Å; D131-L134 WeakPolarHBondContact OD2-CB 3.47Å; L134-N176 CarbonylContact O-C 3.41Å; L134-N176 WeakPolarHBondContact O-CA 3.45Å; L134-R177 PolarHBondContact O-N 2.87Å; L134-L178 HydrophobicContact CB-CD1 3.78Å; L134-L178 HydrophobicContact CB-CG 3.87Å; L134-L178 HydrophobicContact CD1-CD1 4.45Å; L134-L178 PolarHBondContact O-N 2.97Å |
| 135 | G | 84.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -114.5 | -161.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F126 D131 R132 G174 E175 N176 | F126-G135 WeakPolarHBondContact O-CA 3.39Å; D131-G135 CarbonylContact O-C 3.53Å; D131-G135 VanDerWaalsContact O-CA 3.24Å; D131-G135 WeakPolarHBondContact O-CA 3.48Å; D131-G135 PolarHBondContact O-N 3.2Å; R132-G135 CarbonylContact C-O 3.43Å; G135-G174 CarbonylContact O-C 3.14Å; G135-G174 VanDerWaalsContact O-CA 3.27Å; G135-G174 WeakPolarHBondContact O-CA 3.42Å; G135-E175 PolarHBondContact O-N 3.45Å; G135-N176 PolarHBondContact O-N 3.07Å |
| 136 | V | 82.5 | Confident | 80 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | trans | -87.1 | -16.2 | 179.3 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | L125 F126 M138 L143 L173 G174 N176 | L125-V136 HydrophobicContact CB-CG2 4.12Å; L125-V136 HydrophobicContact CD1-CG2 4.48Å; L125-V136 HydrophobicContact CD2-CG2 4.35Å; F126-V136 WeakPolarHBondContact O-CB 3.42Å; F126-V136 PolarHBondContact O-N 3.34Å; V136-M138 VanDerWaalsContact C-N 3.27Å; V136-M138 HydrophobicContact CG1-CB 4.27Å; V136-M138 PolarHBondContact O-N 2.82Å; V136-L143 HydrophobicContact CG1-CD1 4.09Å; V136-L143 HydrophobicContact CG1-CD2 4.37Å; V136-L173 HydrophobicContact CG1-CB 3.89Å; V136-L173 HydrophobicContact CG1-CD1 4.01Å; V136-L173 HydrophobicContact CG1-CD2 3.73Å; V136-L173 HydrophobicContact CG1-CG 4.07Å; V136-G174 PolarHBondContact O-N 2.96Å; V136-N176 HydrophobicContact CG2-CB 3.94Å | ||
| 137 | G | 81.1 | Confident | 79.7 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 55.8 | 39.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D128 G129 D131 | D128-G137 CarbonylContact O-C 3.39Å; D128-G137 WeakPolarHBondContact O-CA 3.49Å; D128-G137 PolarHBondContact O-N 2.68Å; G129-G137 CarbonylContact O-C 2.88Å; D131-G137 WeakPolarHBondContact O-CA 3.36Å; D131-G137 PolarHBondContact O-N 3.45Å |
| 138 | M | 81.1 | Confident | 79.3 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -143.9 | 139.7 | 169.5 | -68.5 | -171.4 | -179.7 | 0 | 0 | 107 | T127 D128 V136 M142 L143 W146 L173 | T127-M138 CarbonylContact C-O 3.21Å; T127-M138 VanDerWaalsContact C-O 3.24Å; T127-M138 VanDerWaalsContact CA-O 3.26Å; T127-M138 WeakPolarHBondContact CA-O 3.45Å; T127-M138 VanDerWaalsContact CB-O 3.3Å; T127-M138 WeakPolarHBondContact CB-O 3.26Å; D128-M138 PolarHBondContact O-N 2.72Å; D128-M138 VanDerWaalsContact O-N 3.1Å; V136-M138 VanDerWaalsContact C-N 3.27Å; V136-M138 HydrophobicContact CG1-CB 4.27Å; V136-M138 PolarHBondContact O-N 2.82Å; M138-M142 HydrophobicContact CB-CB 4.28Å; M138-L143 HydrophobicContact CB-CB 4.27Å; M138-L143 HydrophobicContact SD-CD1 4.46Å; M138-W146 HydrophobicContact CE-CG 4.42Å; M138-W146 HydrophobicContact SD-CB 4.32Å; M138-W146 HydrophobicContact SD-CG 4.37Å; M138-L173 HydrophobicContact CE-CD2 3.61Å; M138-L173 HydrophobicContact CG-CD2 4.35Å; M138-L173 HydrophobicContact SD-CD2 3.46Å; M138-L173 WeakPolarHBondContact SD-CD2 3.34Å |
| 139 | S | 84 | Confident | 79.2 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | trans | -63.7 | 158.2 | 170.1 | 71 | 0 | 0 | 0 | 0 | 110.8 | D141 M142 L143 | S139-D141 PolarHBondContact O-N 3Å; S139-M142 PolarHBondContact O-N 3.31Å; S139-M142 VanDerWaalsContact O-N 3.14Å; S139-M142 WeakPolarHBondContact OG-CG 3.29Å; S139-M142 PolarHBondContact OG-N 3.16Å; S139-L143 WeakPolarHBondContact O-CB 3.37Å; S139-L143 PolarHBondContact O-N 3.36Å | ||
| 140 | S | 84.9 | Confident | 79.3 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 8% | 0.077 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -50.4 | -42.4 | 177.2 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | L9 K144 | L9-S140 VanDerWaalsContact CD1-OG 3.26Å; L9-S140 WeakPolarHBondContact CD1-OG 2.9Å; S140-K144 WeakPolarHBondContact O-CB 3.45Å; S140-K144 VanDerWaalsContact O-CG 3.22Å; S140-K144 WeakPolarHBondContact O-CG 3.4Å; S140-K144 PolarHBondContact O-N 3.27Å; S140-K144 WeakPolarHBondContact OG-CE 3.39Å; S140-K144 PolarHBondContact OG-NZ 3.09Å |
| 141 | D | 84.4 | Confident | 79.5 | Confident | 108 Ų | 108 | 67.2 Ų | 67.2 | 58% | 0.578 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71 | -42.6 | -179.9 | -64.2 | -33.3 | 0 | 0 | 0 | 112.5 | S139 K144 Q145 | S139-D141 PolarHBondContact O-N 3Å; D141-K144 PolarHBondContact O-N 3.5Å; D141-Q145 WeakPolarHBondContact O-CG 3.46Å; D141-Q145 PolarHBondContact O-N 3.12Å |
| 142 | M | 82.2 | Confident | 79.4 | Confident | 117 Ų | 117 | 67 Ų | 67 | 58% | 0.576 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 175.6 | -74.9 | -171.7 | -162.2 | 0 | 0 | 111.4 | M138 S139 Q145 W146 | M138-M142 HydrophobicContact CB-CB 4.28Å; S139-M142 PolarHBondContact O-N 3.31Å; S139-M142 VanDerWaalsContact O-N 3.14Å; S139-M142 WeakPolarHBondContact OG-CG 3.29Å; S139-M142 PolarHBondContact OG-N 3.16Å; M142-Q145 PolarHBondContact O-N 2.9Å; M142-W146 VanDerWaalsContact O-CB 3.3Å; M142-W146 WeakPolarHBondContact O-CB 3.42Å; M142-W146 PolarHBondContact O-N 3.11Å |
| 143 | L | 83.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 178.4 | 179.6 | 63.1 | 0 | 0 | 0 | 111 | L9 L125 T127 V136 M138 S139 Q145 W146 L147 L173 | L9-L143 HydrophobicContact CD2-CD2 3.84Å; L125-L143 HydrophobicContact CD1-CD2 3.7Å; T127-L143 HydrophobicContact CG2-CD2 3.54Å; V136-L143 HydrophobicContact CG1-CD1 4.09Å; V136-L143 HydrophobicContact CG1-CD2 4.37Å; M138-L143 HydrophobicContact CB-CB 4.27Å; M138-L143 HydrophobicContact SD-CD1 4.46Å; S139-L143 WeakPolarHBondContact O-CB 3.37Å; S139-L143 PolarHBondContact O-N 3.36Å; L143-Q145 VanDerWaalsContact C-N 3.35Å; L143-Q145 PolarHBondContact O-N 3.33Å; L143-W146 HydrophobicContact CD1-CE3 4.28Å; L143-W146 PolarHBondContact O-N 3.04Å; L143-L147 HydrophobicContact CD1-CD1 4.16Å; L143-L147 HydrophobicContact CD1-CG 4.05Å; L143-L147 HydrophobicContact CG-CD1 3.95Å; L143-L147 HydrophobicContact CG-CG 4.28Å; L143-L147 WeakPolarHBondContact O-CB 3.14Å; L143-L147 VanDerWaalsContact O-CG 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.11Å; L143-L147 PolarHBondContact O-N 2.96Å; L143-L173 HydrophobicContact CD1-CD1 3.71Å; L143-L173 HydrophobicContact CD1-CD2 3.85Å; L143-L173 HydrophobicContact CD1-CG 4.48Å |
| 144 | K | 83.1 | Confident | 78.8 | Confident | 112 Ų | 112 | 62.1 Ų | 62.1 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 176.1 | -73.9 | 169 | -170.9 | 168.5 | 0 | 111.8 | L9 S140 D141 S148 | L9-K144 HydrophobicContact CD1-CD 4.45Å; L9-K144 VanDerWaalsContact CD1-CE 3.45Å; L9-K144 HydrophobicContact CD1-CG 4.23Å; S140-K144 WeakPolarHBondContact O-CB 3.45Å; S140-K144 VanDerWaalsContact O-CG 3.22Å; S140-K144 WeakPolarHBondContact O-CG 3.4Å; S140-K144 PolarHBondContact O-N 3.27Å; S140-K144 WeakPolarHBondContact OG-CE 3.39Å; S140-K144 PolarHBondContact OG-NZ 3.09Å; D141-K144 PolarHBondContact O-N 3.5Å; K144-S148 WeakPolarHBondContact O-CB 3.28Å; K144-S148 PolarHBondContact O-N 3.31Å |
| 145 | Q | 79.2 | Confident | 78 | Confident | 141 Ų | 141 | 65.2 Ų | 65.2 | 66% | 0.659 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 175.4 | -74.5 | 178.7 | 8.1 | 0 | 0 | 111.6 | D141 M142 L143 S148 A149 | D141-Q145 WeakPolarHBondContact O-CG 3.46Å; D141-Q145 PolarHBondContact O-N 3.12Å; M142-Q145 PolarHBondContact O-N 2.9Å; L143-Q145 VanDerWaalsContact C-N 3.35Å; L143-Q145 PolarHBondContact O-N 3.33Å; Q145-S148 PolarHBondContact O-N 3.44Å; Q145-A149 WeakPolarHBondContact O-CB 3.37Å; Q145-A149 PolarHBondContact O-N 2.86Å |
| 146 | W | 79.6 | Confident | 77.1 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 20% | 0.197 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -44.4 | -180 | -177 | 86.2 | 0 | 0 | 0 | 112.3 | M138 M142 L143 S148 A149 N150 I152 F169 I172 L173 | M138-W146 HydrophobicContact CE-CG 4.42Å; M138-W146 HydrophobicContact SD-CB 4.32Å; M138-W146 HydrophobicContact SD-CG 4.37Å; M142-W146 VanDerWaalsContact O-CB 3.3Å; M142-W146 WeakPolarHBondContact O-CB 3.42Å; M142-W146 PolarHBondContact O-N 3.11Å; L143-W146 HydrophobicContact CD1-CE3 4.28Å; L143-W146 PolarHBondContact O-N 3.04Å; W146-S148 VanDerWaalsContact C-N 3.33Å; W146-S148 PolarHBondContact O-N 2.93Å; W146-A149 PolarHBondContact O-N 3.06Å; W146-N150 PolarHBondContact NE1-ND2 2.89Å; W146-N150 VanDerWaalsContact NE1-ND2 3.19Å; W146-N150 WeakPolarHBondContact O-CB 3.49Å; W146-N150 PolarHBondContact O-N 3.23Å; W146-N150 PolarHBondContact O-ND2 2.8Å; W146-I152 HydrophobicContact CE3-CD1 3.86Å; W146-I152 HydrophobicContact CH2-CD1 3.12Å; W146-I152 HydrophobicContact CZ2-CD1 3.88Å; W146-I152 HydrophobicContact CZ3-CD1 3.11Å; W146-F169 HydrophobicContact CH2-CE1 4.29Å; W146-F169 HydrophobicContact CH2-CZ 4.09Å; W146-F169 HydrophobicContact CZ3-CE1 4.14Å; W146-F169 HydrophobicContact CZ3-CZ 4.1Å; W146-I172 HydrophobicContact CH2-CG2 4.13Å; W146-I172 HydrophobicContact CZ2-CB 4.44Å; W146-I172 HydrophobicContact CZ2-CG2 3.43Å; W146-I172 VanDerWaalsContact CZ2-CG2 3.43Å; W146-L173 HydrophobicContact CD2-CD2 4.33Å; W146-L173 HydrophobicContact CE3-CD1 4.29Å; W146-L173 HydrophobicContact CE3-CD2 3.98Å; W146-L173 HydrophobicContact CE3-CG 4.38Å; W146-L173 HydrophobicContact CH2-CD1 4.39Å; W146-L173 HydrophobicContact CH2-CD2 4.41Å; W146-L173 HydrophobicContact CH2-CG 4.15Å; W146-L173 HydrophobicContact CZ3-CD1 3.74Å; W146-L173 HydrophobicContact CZ3-CD2 3.99Å; W146-L173 HydrophobicContact CZ3-CG 3.89Å |
| 147 | L | 80.4 | Confident | 76.3 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.1 | -71 | 172.9 | 0 | 0 | 0 | 111.6 | I7 L143 R151 I152 L157 | I7-L147 HydrophobicContact CD1-CD1 3.8Å; L143-L147 HydrophobicContact CD1-CD1 4.16Å; L143-L147 HydrophobicContact CD1-CG 4.05Å; L143-L147 HydrophobicContact CG-CD1 3.95Å; L143-L147 HydrophobicContact CG-CG 4.28Å; L143-L147 WeakPolarHBondContact O-CB 3.14Å; L143-L147 VanDerWaalsContact O-CG 3.27Å; L143-L147 WeakPolarHBondContact O-CG 3.11Å; L143-L147 PolarHBondContact O-N 2.96Å; L147-R151 PolarHBondContact O-N 3.41Å; L147-R151 VanDerWaalsContact O-N 3.08Å; L147-I152 HydrophobicContact CD2-CB 3.87Å; L147-I152 HydrophobicContact CD2-CD1 4.11Å; L147-I152 HydrophobicContact CD2-CG2 3.79Å; L147-I152 PolarHBondContact O-N 2.99Å; L147-I152 VanDerWaalsContact O-N 3.16Å; L147-L157 HydrophobicContact CD2-CD1 3.71Å |
| 148 | S | 76.1 | Confident | 75.2 | Confident | 93 Ų | 93 | 71 Ų | 71 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.2 | -49.6 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 112 | K144 Q145 W146 N150 R151 | K144-S148 WeakPolarHBondContact O-CB 3.28Å; K144-S148 PolarHBondContact O-N 3.31Å; Q145-S148 PolarHBondContact O-N 3.44Å; W146-S148 VanDerWaalsContact C-N 3.33Å; W146-S148 PolarHBondContact O-N 2.93Å; S148-N150 VanDerWaalsContact C-N 3.3Å; S148-N150 PolarHBondContact O-N 3.47Å; S148-R151 PolarHBondContact O-N 2.84Å |
| 149 | A | 73.7 | Confident | 74.1 | Confident | 82 Ų | 82 | 74.4 Ų | 74.4 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.4 | -36.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q145 W146 | Q145-A149 WeakPolarHBondContact O-CB 3.37Å; Q145-A149 PolarHBondContact O-N 2.86Å; W146-A149 PolarHBondContact O-N 3.06Å |
| 150 | N | 72.9 | Confident | 72.8 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 47% | 0.465 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 1.7 | -178.7 | -66.7 | -82.2 | 0 | 0 | 0 | 113.8 | W146 S148 I152 | W146-N150 PolarHBondContact NE1-ND2 2.89Å; W146-N150 VanDerWaalsContact NE1-ND2 3.19Å; W146-N150 WeakPolarHBondContact O-CB 3.49Å; W146-N150 PolarHBondContact O-N 3.23Å; W146-N150 PolarHBondContact O-ND2 2.8Å; S148-N150 VanDerWaalsContact C-N 3.3Å; S148-N150 PolarHBondContact O-N 3.47Å; N150-I152 VanDerWaalsContact C-N 3.27Å; N150-I152 HydrophobicContact CB-CD1 3.67Å; N150-I152 HydrophobicContact CB-CG1 3.81Å; N150-I152 PolarHBondContact O-N 3.48Å |
| 151 | R | 73.6 | Confident | 71.2 | Confident | 233 Ų | 233 | 75.4 Ų | 75.4 | 88% | 0.879 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 43.4 | -179.3 | -58.9 | -176.5 | 178.4 | -178.2 | -0.5 | 113.4 | L147 S148 | L147-R151 PolarHBondContact O-N 3.41Å; L147-R151 VanDerWaalsContact O-N 3.08Å; S148-R151 PolarHBondContact O-N 2.84Å |
| 152 | I | 70.7 | Confident | 69.7 | Low | 39 Ų | 39 | 74.9 Ų | 74.9 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | trans | -82 | 126.6 | -176.2 | -67.7 | 169 | 0 | 0 | 0 | 109.8 | W146 L147 N150 L157 F169 | W146-I152 HydrophobicContact CE3-CD1 3.86Å; W146-I152 HydrophobicContact CH2-CD1 3.12Å; W146-I152 HydrophobicContact CZ2-CD1 3.88Å; W146-I152 HydrophobicContact CZ3-CD1 3.11Å; L147-I152 HydrophobicContact CD2-CB 3.87Å; L147-I152 HydrophobicContact CD2-CD1 4.11Å; L147-I152 HydrophobicContact CD2-CG2 3.79Å; L147-I152 PolarHBondContact O-N 2.99Å; L147-I152 VanDerWaalsContact O-N 3.16Å; N150-I152 VanDerWaalsContact C-N 3.27Å; N150-I152 HydrophobicContact CB-CD1 3.67Å; N150-I152 HydrophobicContact CB-CG1 3.81Å; N150-I152 PolarHBondContact O-N 3.48Å; I152-L157 HydrophobicContact CG2-CD1 4.3Å; I152-F169 HydrophobicContact CD1-CE2 4.45Å; I152-F169 HydrophobicContact CD1-CZ 3.99Å; I152-F169 HydrophobicContact CG2-CE2 4.4Å; I152-F169 HydrophobicContact CG2-CZ 3.83Å | ||
| 153 | S | 70.4 | Confident | 68.1 | Low | 50 Ų | 50 | 71.6 Ų | 71.6 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | trans | -78.3 | 150.4 | 174.6 | 76.4 | 0 | 0 | 0 | 0 | 111.8 | N155 N156 L157 | S153-N155 PolarHBondContact O-N 2.93Å; S153-N156 WeakPolarHBondContact O-CB 3.35Å; S153-N156 PolarHBondContact O-N 3.21Å; S153-N156 VanDerWaalsContact O-N 3.11Å; S153-N156 PolarHBondContact OG-N 3.27Å; S153-N156 PolarHBondContact OG-OD1 3.25Å; S153-L157 PolarHBondContact O-N 2.94Å; S153-L157 VanDerWaalsContact O-N 3.12Å | ||
| 154 | I | 65.7 | Low | 66.2 | Low | 47 Ų | 47 | 75.2 Ų | 75.2 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.6 | -34 | 175.8 | -60.6 | 173.9 | 0 | 0 | 0 | 111.2 | R5 I7 P123 N156 L157 M158 | R5-I154 WeakPolarHBondContact O-CD1 3.5Å; I7-I154 HydrophobicContact CD1-CG1 4.09Å; I7-I154 HydrophobicContact CG1-CD1 4.15Å; I7-I154 HydrophobicContact CG1-CG1 3.93Å; I7-I154 HydrophobicContact CG1-CG2 4.29Å; P123-I154 HydrophobicContact CG-CG2 4.01Å; I154-N156 VanDerWaalsContact C-N 3.35Å; I154-N156 PolarHBondContact O-N 2.96Å; I154-L157 VanDerWaalsContact O-CB 3.24Å; I154-L157 WeakPolarHBondContact O-CB 3.1Å; I154-L157 PolarHBondContact O-N 3.11Å; I154-M158 PolarHBondContact O-N 3.03Å |
| 155 | N | 64.6 | Low | 64.4 | Low | 84 Ų | 84 | 73.6 Ų | 73.6 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 176.4 | -71.1 | -16.3 | 0 | 0 | 0 | 112.1 | R5 S153 L157 M158 V159 | R5-N155 PolarHBondContact NH1-OD1 3.3Å; S153-N155 PolarHBondContact O-N 2.93Å; N155-L157 VanDerWaalsContact C-N 3.31Å; N155-M158 WeakPolarHBondContact O-CB 3.47Å; N155-M158 PolarHBondContact O-N 3.35Å; N155-V159 WeakPolarHBondContact O-CG2 3.15Å; N155-V159 PolarHBondContact O-N 3.06Å; N155-V159 VanDerWaalsContact O-N 3.14Å |
| 156 | N | 65.9 | Low | 63 | Low | 90 Ų | 90 | 68.2 Ų | 68.2 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 173.9 | -70.1 | -1.7 | 0 | 0 | 0 | 110.5 | S153 I154 M158 H160 | S153-N156 WeakPolarHBondContact O-CB 3.35Å; S153-N156 PolarHBondContact O-N 3.21Å; S153-N156 VanDerWaalsContact O-N 3.11Å; S153-N156 PolarHBondContact OG-N 3.27Å; S153-N156 PolarHBondContact OG-OD1 3.25Å; I154-N156 VanDerWaalsContact C-N 3.35Å; I154-N156 PolarHBondContact O-N 2.96Å; N156-M158 PolarHBondContact O-N 2.99Å; N156-H160 PolarHBondContact O-CD2 2.73Å; N156-H160 PolarHBondContact O-N 3.22Å |
| 157 | L | 66.5 | Low | 61.5 | Low | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 174.5 | -150.8 | 86.3 | 0 | 0 | 0 | 111.8 | I7 P123 L125 L147 I152 S153 I154 N155 H160 S161 F169 | I7-L157 HydrophobicContact CD1-CD2 3.68Å; I7-L157 HydrophobicContact CG1-CD2 4.01Å; I7-L157 HydrophobicContact CG2-CD2 4.11Å; P123-L157 HydrophobicContact CB-CD2 4.26Å; P123-L157 HydrophobicContact CG-CD2 3.85Å; L125-L157 HydrophobicContact CD1-CD1 4.49Å; L125-L157 HydrophobicContact CD1-CD2 3.64Å; L125-L157 HydrophobicContact CD1-CG 4.35Å; L125-L157 HydrophobicContact CG-CD2 4.28Å; L147-L157 HydrophobicContact CD2-CD1 3.71Å; I152-L157 HydrophobicContact CG2-CD1 4.3Å; S153-L157 PolarHBondContact O-N 2.94Å; S153-L157 VanDerWaalsContact O-N 3.12Å; I154-L157 VanDerWaalsContact O-CB 3.24Å; I154-L157 WeakPolarHBondContact O-CB 3.1Å; I154-L157 PolarHBondContact O-N 3.11Å; N155-L157 VanDerWaalsContact C-N 3.31Å; L157-H160 CarbonylContact O-C 3.35Å; L157-H160 PolarHBondContact O-N 3.36Å; L157-S161 WeakPolarHBondContact O-CB 3.43Å; L157-S161 PolarHBondContact O-N 3.19Å; L157-S161 PolarHBondContact O-OG 3.22Å; L157-F169 HydrophobicContact CD1-CE1 3.51Å; L157-F169 HydrophobicContact CD1-CZ 3.79Å |
| 158 | M | 58 | Low | 60 | Low | 43 Ų | 43 | 70.9 Ų | 70.9 | 21% | 0.212 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 179.4 | -86.4 | -79.9 | -50.4 | 0 | 0 | 113.4 | P123 I154 N155 N156 H160 S161 H162 | P123-M158 HydrophobicContact CB-CG 4.4Å; P123-M158 HydrophobicContact CB-SD 4.11Å; P123-M158 HydrophobicContact CG-CG 4.19Å; P123-M158 HydrophobicContact CG-SD 4.3Å; I154-M158 PolarHBondContact O-N 3.03Å; N155-M158 WeakPolarHBondContact O-CB 3.47Å; N155-M158 PolarHBondContact O-N 3.35Å; N156-M158 PolarHBondContact O-N 2.99Å; M158-H160 PolarHBondContact O-N 3.39Å; M158-S161 WeakPolarHBondContact CA-OG 3.38Å; M158-S161 PolarHBondContact O-N 3.46Å; M158-S161 VanDerWaalsContact O-N 3.16Å; M158-S161 PolarHBondContact O-OG 3.25Å; M158-H162 WeakPolarHBondContact CE-NE2 3.08Å; M158-H162 PolarHBondContact O-CD2 3.26Å; M158-H162 VanDerWaalsContact O-CD2 3.31Å; M158-H162 PolarHBondContact O-N 3.36Å |
| 159 | V | 57.5 | Low | 58.8 | Low | 107 Ų | 107 | 68 Ų | 68 | 65% | 0.648 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.8 | -32.7 | 179.1 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | N155 | N155-V159 WeakPolarHBondContact O-CG2 3.15Å; N155-V159 PolarHBondContact O-N 3.06Å; N155-V159 VanDerWaalsContact O-N 3.14Å |
| 160 | H | 55.6 | Low | 57.9 | Low | 64 Ų | 64 | 65.1 Ų | 65.1 | 30% | 0.296 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -87.5 | -26.3 | 178.4 | -67.1 | -49 | 0 | 0 | 0 | 114.3 | N156 L157 M158 H162 S163 F169 | N156-H160 PolarHBondContact O-CD2 2.73Å; N156-H160 PolarHBondContact O-N 3.22Å; L157-H160 CarbonylContact O-C 3.35Å; L157-H160 PolarHBondContact O-N 3.36Å; M158-H160 PolarHBondContact O-N 3.39Å; H160-H162 VanDerWaalsContact C-N 3.34Å; H160-S163 PolarHBondContact O-N 3.41Å; H160-F169 HydrophobicContact CB-CB 3.71Å; H160-F169 HydrophobicContact CB-CD1 4.42Å; H160-F169 HydrophobicContact CB-CD2 4.11Å; H160-F169 HydrophobicContact CB-CG 3.83Å; H160-F169 AromaticContact CD2-CD2 3.24Å; H160-F169 WeakPolarHBondContact CD2-CD2 3.24Å; H160-F169 AromaticContact CD2-CE2 3.77Å; H160-F169 AromaticContact CD2-CG 3.89Å; H160-F169 AromaticContact CG-CD2 3.77Å; H160-F169 AromaticContact CG-CG 3.95Å; H160-F169 AromaticContact NE2-CD2 3.95Å |
| 161 | S | 52.9 | Low | 57.2 | Low | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.6 | -25.4 | 178.2 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | L157 M158 Q180 | L157-S161 WeakPolarHBondContact O-CB 3.43Å; L157-S161 PolarHBondContact O-N 3.19Å; L157-S161 PolarHBondContact O-OG 3.22Å; M158-S161 WeakPolarHBondContact CA-OG 3.38Å; M158-S161 PolarHBondContact O-N 3.46Å; M158-S161 VanDerWaalsContact O-N 3.16Å; M158-S161 PolarHBondContact O-OG 3.25Å; S161-Q180 WeakPolarHBondContact O-CG 3.49Å; S161-Q180 PolarHBondContact O-NE2 3.35Å |
| 162 | H | 52.5 | Low | 56.7 | Low | 97 Ų | 97 | 57 Ų | 57 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -89.7 | -8.9 | 171.4 | -67.5 | -72.8 | 0 | 0 | 0 | 114 | M158 H160 A164 D187 | M158-H162 WeakPolarHBondContact CE-NE2 3.08Å; M158-H162 PolarHBondContact O-CD2 3.26Å; M158-H162 VanDerWaalsContact O-CD2 3.31Å; M158-H162 PolarHBondContact O-N 3.36Å; H160-H162 VanDerWaalsContact C-N 3.34Å; H162-A164 PolarHBondContact O-N 3.27Å; H162-D187 IonicContact CE1-OD2 2.89Å |
| 163 | S | 48.3 | Very low | 56.6 | Low | 48 Ų | 48 | 55.4 Ų | 55.4 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -75.4 | 115.6 | -179 | 176.9 | 0 | 0 | 0 | 0 | 110 | H160 T165 | H160-S163 PolarHBondContact O-N 3.41Å; S163-T165 PolarHBondContact O-N 3.14Å |
| 164 | A | 43 | Very low | 56.7 | Low | 76 Ų | 76 | 53.4 Ų | 53.4 | 63% | 0.628 | 32% | 0.319 | S | S | * | . | trans | -47.6 | 140.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | H162 | H162-A164 PolarHBondContact O-N 3.27Š| ||
| 165 | T | 46.4 | Very low | 57.3 | Low | 78 Ų | 78 | 53.9 Ų | 53.9 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 2.7 | 118.3 | 176 | 48.2 | 0 | 0 | 0 | 0 | 116.9 | S163 R548 | S163-T165 PolarHBondContact O-N 3.14Å; T165-R548 PolarHBondContact O-NH2 2.91Å |
| 166 | G | 48 | Very low | 58.3 | Low | 28 Ų | 28 | 50.2 Ų | 50.2 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | trans | 69.1 | 55.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 167 | S | 49.4 | Very low | 59.3 | Low | 19 Ų | 19 | 48.4 Ų | 48.4 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | trans | -61.4 | 159.5 | 146 | 73.5 | 0 | 0 | 0 | 0 | 110.6 | F169 G170 | S167-F169 PolarHBondContact O-N 3.03Å; S167-F169 VanDerWaalsContact O-N 3.08Å; S167-F169 VanDerWaalsContact OG-CB 3.26Å; S167-F169 WeakPolarHBondContact OG-CB 3.22Å; S167-F169 PolarHBondContact OG-N 2.87Å; S167-G170 PolarHBondContact O-N 2.97Å; S167-G170 PolarHBondContact OG-N 2.97Å | ||
| 168 | V | 47.9 | Very low | 60.3 | Low | 111 Ų | 111 | 48.4 Ų | 48.4 | 67% | 0.673 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -51.3 | -31.9 | 169.8 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | T171 I172 | V168-T171 PolarHBondContact O-N 3.43Å; V168-T171 PolarHBondContact O-OG1 3.1Å; V168-I172 HydrophobicContact CG1-CD1 4.42Å |
| 169 | F | 51.7 | Low | 61.8 | Low | 32 Ų | 32 | 46.3 Ų | 46.3 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 175.1 | -122 | -95.9 | 0 | 0 | 0 | 112.7 | W146 I152 L157 H160 S167 T171 I172 L173 | W146-F169 HydrophobicContact CH2-CE1 4.29Å; W146-F169 HydrophobicContact CH2-CZ 4.09Å; W146-F169 HydrophobicContact CZ3-CE1 4.14Å; W146-F169 HydrophobicContact CZ3-CZ 4.1Å; I152-F169 HydrophobicContact CD1-CE2 4.45Å; I152-F169 HydrophobicContact CD1-CZ 3.99Å; I152-F169 HydrophobicContact CG2-CE2 4.4Å; I152-F169 HydrophobicContact CG2-CZ 3.83Å; L157-F169 HydrophobicContact CD1-CE1 3.51Å; L157-F169 HydrophobicContact CD1-CZ 3.79Å; H160-F169 HydrophobicContact CB-CB 3.71Å; H160-F169 HydrophobicContact CB-CD1 4.42Å; H160-F169 HydrophobicContact CB-CD2 4.11Å; H160-F169 HydrophobicContact CB-CG 3.83Å; H160-F169 AromaticContact CD2-CD2 3.24Å; H160-F169 WeakPolarHBondContact CD2-CD2 3.24Å; H160-F169 AromaticContact CD2-CE2 3.77Å; H160-F169 AromaticContact CD2-CG 3.89Å; H160-F169 AromaticContact CG-CD2 3.77Å; H160-F169 AromaticContact CG-CG 3.95Å; H160-F169 AromaticContact NE2-CD2 3.95Å; S167-F169 PolarHBondContact O-N 3.03Å; S167-F169 VanDerWaalsContact O-N 3.08Å; S167-F169 VanDerWaalsContact OG-CB 3.26Å; S167-F169 WeakPolarHBondContact OG-CB 3.22Å; S167-F169 PolarHBondContact OG-N 2.87Å; F169-T171 PolarHBondContact O-N 3.23Å; F169-I172 PolarHBondContact O-N 3.18Å; F169-L173 HydrophobicContact CD1-CB 4.34Å; F169-L173 HydrophobicContact CD1-CD1 3.77Å; F169-L173 HydrophobicContact CD1-CG 4.2Å; F169-L173 HydrophobicContact CE1-CD1 3.45Å; F169-L173 VanDerWaalsContact CE1-CD1 3.45Å; F169-L173 HydrophobicContact CE1-CG 4.19Å; F169-L173 PolarHBondContact O-N 3.37Å |
| 170 | G | 55 | Low | 63.1 | Low | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -15.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S167 L173 | S167-G170 PolarHBondContact O-N 2.97Å; S167-G170 PolarHBondContact OG-N 2.97Å; G170-L173 CarbonylContact C-O 3.51Å; G170-L173 WeakPolarHBondContact CA-O 3.19Å |
| 171 | T | 58.7 | Low | 64.7 | Low | 74 Ų | 74 | 40.4 Ų | 40.4 | 45% | 0.454 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -85.6 | -24.9 | 172.2 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | R132 V168 F169 | R132-T171 PolarHBondContact NH2-O 3.1Å; V168-T171 PolarHBondContact O-N 3.43Å; V168-T171 PolarHBondContact O-OG1 3.1Å; F169-T171 PolarHBondContact O-N 3.23Å |
| 172 | I | 63.1 | Low | 66.6 | Low | 75 Ų | 75 | 40 Ų | 40 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -99.1 | -48.1 | -178 | -58.8 | 170.1 | 0 | 0 | 0 | 110.5 | R132 W146 V168 F169 | R132-I172 PolarHBondContact NH2-O 3.3Å; W146-I172 HydrophobicContact CH2-CG2 4.13Å; W146-I172 HydrophobicContact CZ2-CB 4.44Å; W146-I172 HydrophobicContact CZ2-CG2 3.43Å; W146-I172 VanDerWaalsContact CZ2-CG2 3.43Å; V168-I172 HydrophobicContact CG1-CD1 4.42Å; F169-I172 PolarHBondContact O-N 3.18Å |
| 173 | L | 67.8 | Low | 68.3 | Low | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -98.8 | 145 | 167.3 | -67.5 | -165.3 | 0 | 0 | 0 | 107.8 | V136 M138 L143 W146 F169 G170 | V136-L173 HydrophobicContact CG1-CB 3.89Å; V136-L173 HydrophobicContact CG1-CD1 4.01Å; V136-L173 HydrophobicContact CG1-CD2 3.73Å; V136-L173 HydrophobicContact CG1-CG 4.07Å; M138-L173 HydrophobicContact CE-CD2 3.61Å; M138-L173 HydrophobicContact CG-CD2 4.35Å; M138-L173 HydrophobicContact SD-CD2 3.46Å; M138-L173 WeakPolarHBondContact SD-CD2 3.34Å; L143-L173 HydrophobicContact CD1-CD1 3.71Å; L143-L173 HydrophobicContact CD1-CD2 3.85Å; L143-L173 HydrophobicContact CD1-CG 4.48Å; W146-L173 HydrophobicContact CD2-CD2 4.33Å; W146-L173 HydrophobicContact CE3-CD1 4.29Å; W146-L173 HydrophobicContact CE3-CD2 3.98Å; W146-L173 HydrophobicContact CE3-CG 4.38Å; W146-L173 HydrophobicContact CH2-CD1 4.39Å; W146-L173 HydrophobicContact CH2-CD2 4.41Å; W146-L173 HydrophobicContact CH2-CG 4.15Å; W146-L173 HydrophobicContact CZ3-CD1 3.74Å; W146-L173 HydrophobicContact CZ3-CD2 3.99Å; W146-L173 HydrophobicContact CZ3-CG 3.89Å; F169-L173 HydrophobicContact CD1-CB 4.34Å; F169-L173 HydrophobicContact CD1-CD1 3.77Å; F169-L173 HydrophobicContact CD1-CG 4.2Å; F169-L173 HydrophobicContact CE1-CD1 3.45Å; F169-L173 VanDerWaalsContact CE1-CD1 3.45Å; F169-L173 HydrophobicContact CE1-CG 4.19Å; F169-L173 PolarHBondContact O-N 3.37Å; G170-L173 CarbonylContact C-O 3.51Å; G170-L173 WeakPolarHBondContact CA-O 3.19Å |
| 174 | G | 72.6 | Confident | 70.1 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | trans | -55.3 | 169.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R132 G135 V136 N176 | R132-G174 CarbonylContact O-C 3.24Å; R132-G174 WeakPolarHBondContact O-CA 3.04Å; G135-G174 CarbonylContact O-C 3.14Å; G135-G174 VanDerWaalsContact O-CA 3.27Å; G135-G174 WeakPolarHBondContact O-CA 3.42Å; V136-G174 PolarHBondContact O-N 2.96Å; G174-N176 PolarHBondContact O-N 3.49Å | ||
| 175 | E | 79 | Confident | 72.3 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | trans | -69.8 | -14.6 | -169.5 | -62.7 | -165 | 173.3 | 0 | 0 | 114.4 | R132 G135 R177 Q180 | R132-E175 PolarHBondContact O-N 3.4Å; G135-E175 PolarHBondContact O-N 3.45Å; E175-R177 HydrophobicContact CB-CG 3.94Å; E175-R177 PolarHBondContact O-N 3Å; E175-R177 VanDerWaalsContact O-N 3.16Å; E175-R177 IonicContact OE1-NH2 3.53Å; E175-R177 IonicContact OE2-CZ 3.79Å; E175-R177 IonicContact OE2-NE 2.77Å; E175-R177 PolarHBondContact OE2-NE 2.83Å; E175-R177 IonicContact OE2-NH2 3.85Å; E175-R177 PolarHBondContact OE2-NH2 2.91Å; E175-Q180 PolarHBondContact O-NE2 3.28Å | ||
| 176 | N | 85.7 | Confident | 74.2 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | trans | 51.2 | 37.4 | 177.4 | -171 | 53.9 | 0 | 0 | 0 | 114.1 | I124 L125 F126 L134 G135 V136 G174 L178 G179 Q180 | I124-N176 PolarHBondContact O-ND2 3.25Å; L125-N176 WeakPolarHBondContact CA-OD1 3Å; L125-N176 HydrophobicContact CD2-CB 4.48Å; L125-N176 WeakPolarHBondContact CD2-ND2 3.45Å; F126-N176 PolarHBondContact N-OD1 2.88Å; L134-N176 CarbonylContact O-C 3.41Å; L134-N176 WeakPolarHBondContact O-CA 3.45Å; G135-N176 PolarHBondContact O-N 3.07Å; V136-N176 HydrophobicContact CG2-CB 3.94Å; G174-N176 PolarHBondContact O-N 3.49Å; N176-L178 PolarHBondContact O-N 2.94Å; N176-G179 PolarHBondContact O-N 3.32Å; N176-G179 VanDerWaalsContact O-N 3.15Å; N176-Q180 WeakPolarHBondContact O-CG 3.18Å; N176-Q180 PolarHBondContact O-N 3.35Å | ||
| 177 | R | 85 | Confident | 75.8 | Confident | 53 Ų | 53 | 31 Ų | 31 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -31.4 | -176.4 | -63.6 | -175.3 | 175.7 | -178.8 | 3.4 | 113.3 | L95 L134 E175 T181 | L95-R177 HydrophobicContact CD1-CB 3.79Å; L95-R177 HydrophobicContact CD2-CB 4.41Å; L134-R177 PolarHBondContact O-N 2.87Å; E175-R177 HydrophobicContact CB-CG 3.94Å; E175-R177 PolarHBondContact O-N 3Å; E175-R177 VanDerWaalsContact O-N 3.16Å; E175-R177 IonicContact OE1-NH2 3.53Å; E175-R177 IonicContact OE2-CZ 3.79Å; E175-R177 IonicContact OE2-NE 2.77Å; E175-R177 PolarHBondContact OE2-NE 2.83Å; E175-R177 IonicContact OE2-NH2 3.85Å; E175-R177 PolarHBondContact OE2-NH2 2.91Å; R177-T181 WeakPolarHBondContact O-CB 3.26Å; R177-T181 PolarHBondContact O-N 3.47Å; R177-T181 PolarHBondContact O-OG1 2.6Å |
| 178 | L | 87.7 | Confident | 77.1 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.6 | -45.4 | 176.3 | -66.9 | 174.9 | 0 | 0 | 0 | 111.8 | P19 M98 Y102 F126 L134 N176 Q180 T181 L182 | P19-L178 HydrophobicContact CG-CD1 4.43Å; M98-L178 HydrophobicContact CB-CD2 4.31Å; M98-L178 HydrophobicContact CG-CD2 4.34Å; M98-L178 HydrophobicContact SD-CD2 4.38Å; Y102-L178 HydrophobicContact CE2-CD2 3.96Å; F126-L178 HydrophobicContact CB-CB 4.43Å; F126-L178 HydrophobicContact CD1-CD1 4.04Å; F126-L178 HydrophobicContact CD2-CD1 4.17Å; F126-L178 HydrophobicContact CE1-CD1 4.09Å; F126-L178 HydrophobicContact CE2-CD1 4.24Å; F126-L178 HydrophobicContact CG-CB 4.47Å; F126-L178 HydrophobicContact CG-CD1 4.07Å; F126-L178 HydrophobicContact CZ-CD1 4.18Å; L134-L178 HydrophobicContact CB-CD1 3.78Å; L134-L178 HydrophobicContact CB-CG 3.87Å; L134-L178 HydrophobicContact CD1-CD1 4.45Å; L134-L178 PolarHBondContact O-N 2.97Å; N176-L178 PolarHBondContact O-N 2.94Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 2.88Å; L178-T181 WeakPolarHBondContact O-CB 3.14Å; L178-T181 PolarHBondContact O-N 2.9Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.29Å |
| 179 | G | 89.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I124 N176 L182 M183 | I124-G179 VanDerWaalsContact O-CA 3.29Å; I124-G179 WeakPolarHBondContact O-CA 3.41Å; N176-G179 PolarHBondContact O-N 3.32Å; N176-G179 VanDerWaalsContact O-N 3.15Å; G179-L182 PolarHBondContact O-N 3.04Å; G179-M183 WeakPolarHBondContact O-CE 3.34Å; G179-M183 WeakPolarHBondContact O-CG 3.45Å; G179-M183 PolarHBondContact O-N 3.15Å |
| 180 | Q | 86.3 | Confident | 77.9 | Confident | 38 Ų | 38 | 36.8 Ų | 36.8 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | 173.1 | -70.4 | 178.9 | 4.5 | 0 | 0 | 112.3 | S161 E175 N176 L178 L182 M183 E184 | S161-Q180 WeakPolarHBondContact O-CG 3.49Å; S161-Q180 PolarHBondContact O-NE2 3.35Å; E175-Q180 PolarHBondContact O-NE2 3.28Å; N176-Q180 WeakPolarHBondContact O-CG 3.18Å; N176-Q180 PolarHBondContact O-N 3.35Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 2.88Å; Q180-L182 VanDerWaalsContact C-N 3.3Å; Q180-L182 PolarHBondContact O-N 3.44Å; Q180-M183 HydrophobicContact CG-CE 4.37Å; Q180-M183 PolarHBondContact O-N 3.33Å; Q180-E184 WeakPolarHBondContact O-CG 3.49Å; Q180-E184 PolarHBondContact O-N 3.15Å |
| 181 | T | 88.8 | Confident | 77.1 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.8 | -44.2 | 178.6 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | R99 Y102 R177 L178 E184 I185 | R99-T181 HydrophobicContact CB-CG2 3.92Å; R99-T181 HydrophobicContact CG-CG2 3.92Å; Y102-T181 HydrophobicContact CD2-CG2 4.24Å; R177-T181 WeakPolarHBondContact O-CB 3.26Å; R177-T181 PolarHBondContact O-N 3.47Å; R177-T181 PolarHBondContact O-OG1 2.6Å; L178-T181 WeakPolarHBondContact O-CB 3.14Å; L178-T181 PolarHBondContact O-N 2.9Å; T181-E184 PolarHBondContact O-N 2.77Å; T181-I185 HydrophobicContact CG2-CD1 4.08Å; T181-I185 VanDerWaalsContact O-CG1 3.29Å; T181-I185 WeakPolarHBondContact O-CG1 3.42Å; T181-I185 PolarHBondContact O-N 2.96Å |
| 182 | L | 91.5 | Very high | 76 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.9 | -71.6 | 174.3 | 0 | 0 | 0 | 112.4 | I10 L17 Y102 F112 L116 I124 L178 G179 Q180 I185 R186 | I10-L182 HydrophobicContact CD1-CD1 3.59Å; L17-L182 HydrophobicContact CB-CD1 4.25Å; Y102-L182 HydrophobicContact CD1-CD2 3.73Å; Y102-L182 HydrophobicContact CE1-CD2 3.83Å; Y102-L182 HydrophobicContact CG-CD2 4.13Å; F112-L182 HydrophobicContact CE2-CD2 4.07Å; F112-L182 HydrophobicContact CZ-CD2 3.55Å; L116-L182 HydrophobicContact CD1-CB 3.9Å; L116-L182 HydrophobicContact CD1-CD2 4.27Å; L116-L182 HydrophobicContact CD2-CD2 4.34Å; I124-L182 HydrophobicContact CD1-CB 3.89Å; I124-L182 HydrophobicContact CG2-CD1 4.06Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.29Å; G179-L182 PolarHBondContact O-N 3.04Å; Q180-L182 VanDerWaalsContact C-N 3.3Å; Q180-L182 PolarHBondContact O-N 3.44Å; L182-I185 PolarHBondContact O-N 3.36Å; L182-R186 WeakPolarHBondContact O-CB 3.42Å; L182-R186 PolarHBondContact O-N 2.84Å |
| 183 | M | 89.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 176.3 | -70.6 | -176 | -65.9 | 0 | 0 | 111.9 | I124 G179 Q180 R186 D187 | I124-M183 HydrophobicContact CB-CG 4.01Å; I124-M183 HydrophobicContact CB-SD 4.46Å; I124-M183 HydrophobicContact CD1-CG 3.83Å; I124-M183 HydrophobicContact CG1-CG 3.81Å; I124-M183 PolarHBondContact N-SD 2.75Å; G179-M183 WeakPolarHBondContact O-CE 3.34Å; G179-M183 WeakPolarHBondContact O-CG 3.45Å; G179-M183 PolarHBondContact O-N 3.15Å; Q180-M183 HydrophobicContact CG-CE 4.37Å; Q180-M183 PolarHBondContact O-N 3.33Å; M183-R186 WeakPolarHBondContact O-CB 3.2Å; M183-R186 PolarHBondContact O-N 2.98Å; M183-D187 VanDerWaalsContact O-CB 3.27Å; M183-D187 WeakPolarHBondContact O-CB 3.42Å; M183-D187 PolarHBondContact O-N 3.5Å |
| 184 | E | 86.2 | Confident | 73.1 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 175.5 | -75.1 | 179.4 | -163.6 | 0 | 0 | 111.9 | R99 Q180 T181 R186 D187 Q188 | R99-E184 IonicContact CZ-OE2 3.44Å; R99-E184 IonicContact NH1-OE2 3.15Å; R99-E184 PolarHBondContact NH1-OE2 2.88Å; R99-E184 IonicContact NH2-OE2 3.19Å; R99-E184 PolarHBondContact NH2-OE2 2.81Å; Q180-E184 WeakPolarHBondContact O-CG 3.49Å; Q180-E184 PolarHBondContact O-N 3.15Å; T181-E184 PolarHBondContact O-N 2.77Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.46Å; E184-D187 PolarHBondContact O-N 3.02Å; E184-Q188 WeakPolarHBondContact O-CB 3.13Å; E184-Q188 WeakPolarHBondContact O-CG 3.32Å; E184-Q188 PolarHBondContact O-N 3.28Å |
| 185 | I | 88.8 | Confident | 71.1 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 177.2 | -66.4 | 169.8 | 0 | 0 | 0 | 110.5 | F106 L116 T181 L182 | F106-I185 HydrophobicContact CB-CG2 3.86Å; F106-I185 HydrophobicContact CD1-CG2 4.08Å; F106-I185 HydrophobicContact CD2-CG2 3.76Å; F106-I185 HydrophobicContact CE2-CG2 4.26Å; F106-I185 HydrophobicContact CG-CG2 3.63Å; L116-I185 HydrophobicContact CD2-CB 4.37Å; L116-I185 HydrophobicContact CD2-CG2 4.08Å; T181-I185 HydrophobicContact CG2-CD1 4.08Å; T181-I185 VanDerWaalsContact O-CG1 3.29Å; T181-I185 WeakPolarHBondContact O-CG1 3.42Å; T181-I185 PolarHBondContact O-N 2.96Å; L182-I185 PolarHBondContact O-N 3.36Å |
| 186 | R | 85.9 | Confident | 68.8 | Low | 3 Ų | 3 | 61.4 Ų | 61.4 | 1% | 0.011 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.7 | -52.7 | 174.9 | -177.4 | -167.4 | 68.1 | -168.6 | -0.9 | 111.4 | L116 T119 G120 D122 L182 M183 E184 S189 H190 | L116-R186 HydrophobicContact CD1-CB 4.22Å; L116-R186 HydrophobicContact CD2-CB 4.28Å; L116-R186 HydrophobicContact CG-CB 3.97Å; L116-R186 HydrophobicContact CG-CG 4.43Å; T119-R186 VanDerWaalsContact OG1-CD 3.29Å; T119-R186 WeakPolarHBondContact OG1-CD 3.23Å; T119-R186 PolarHBondContact OG1-NH1 3.18Å; G120-R186 VanDerWaalsContact O-CD 3.26Å; G120-R186 WeakPolarHBondContact O-CD 3.43Å; G120-R186 PolarHBondContact O-NE 3.38Å; G120-R186 VanDerWaalsContact O-NE 3.15Å; G120-R186 PolarHBondContact O-NH1 3.13Å; G120-R186 VanDerWaalsContact O-NH1 3.12Å; D122-R186 PolarHBondContact O-NH1 2.94Å; L182-R186 WeakPolarHBondContact O-CB 3.42Å; L182-R186 PolarHBondContact O-N 2.84Å; M183-R186 WeakPolarHBondContact O-CB 3.2Å; M183-R186 PolarHBondContact O-N 2.98Å; E184-R186 VanDerWaalsContact C-N 3.34Å; E184-R186 PolarHBondContact O-N 3.46Å; R186-S189 WeakPolarHBondContact O-CB 3.39Å; R186-S189 PolarHBondContact O-N 2.6Å; R186-S189 VanDerWaalsContact O-N 3.16Å; R186-S189 PolarHBondContact O-OG 3.14Å; R186-H190 PolarHBondContact O-CD2 3.44Å |
| 187 | D | 80.6 | Confident | 66.1 | Low | 55 Ų | 55 | 65.2 Ų | 65.2 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.5 | -32.9 | -170.7 | -64.3 | -10.5 | 0 | 0 | 0 | 111.9 | H162 M183 E184 S189 H190 M191 | H162-D187 IonicContact CE1-OD2 2.89Å; M183-D187 VanDerWaalsContact O-CB 3.27Å; M183-D187 WeakPolarHBondContact O-CB 3.42Å; M183-D187 PolarHBondContact O-N 3.5Å; E184-D187 PolarHBondContact O-N 3.02Å; D187-S189 PolarHBondContact O-N 3.23Å; D187-H190 PolarHBondContact O-N 2.65Å; D187-H190 VanDerWaalsContact O-N 3.08Å; D187-M191 PolarHBondContact O-N 2.69Å |
| 188 | Q | 78.1 | Confident | 63.4 | Low | 119 Ų | 119 | 67.9 Ų | 67.9 | 56% | 0.556 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.6 | -30.8 | 171.5 | -78.3 | 178.8 | 9.5 | 0 | 0 | 112.4 | E184 | E184-Q188 WeakPolarHBondContact O-CB 3.13Å; E184-Q188 WeakPolarHBondContact O-CG 3.32Å; E184-Q188 PolarHBondContact O-N 3.28Å |
| 189 | S | 63.3 | Low | 60.4 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 38% | 0.378 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -79.5 | -22 | 177.5 | 78.1 | 0 | 0 | 0 | 0 | 114.2 | R186 D187 | R186-S189 WeakPolarHBondContact O-CB 3.39Å; R186-S189 PolarHBondContact O-N 2.6Å; R186-S189 VanDerWaalsContact O-N 3.16Å; R186-S189 PolarHBondContact O-OG 3.14Å; D187-S189 PolarHBondContact O-N 3.23Å |
| 190 | H | 53.4 | Low | 57.6 | Low | 111 Ų | 111 | 78.2 Ų | 78.2 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -91 | -5.2 | -179.8 | -79.3 | -71.2 | 0 | 0 | 0 | 114.3 | R186 D187 P192 | R186-H190 PolarHBondContact O-CD2 3.44Å; D187-H190 PolarHBondContact O-N 2.65Å; D187-H190 VanDerWaalsContact O-N 3.08Å; H190-P192 VanDerWaalsContact C-CD 3.43Å; H190-P192 WeakPolarHBondContact O-CD 3.16Å |
| 191 | M | 37.3 | Very low | 54.6 | Low | 122 Ų | 122 | 79.9 Ų | 79.9 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | trans | -92.6 | 88.4 | 177.2 | -89.2 | -86.4 | 166.8 | 0 | 0 | 112.3 | D187 I194 | D187-M191 PolarHBondContact O-N 2.69Å; M191-I194 HydrophobicContact CE-CB 4.01Å; M191-I194 HydrophobicContact CE-CD1 4.15Å; M191-I194 HydrophobicContact CE-CG1 4.32Å; M191-I194 HydrophobicContact SD-CB 4.17Å | ||
| 192 | P | 36.1 | Very low | 51.6 | Low | 104 Ų | 104 | 86.6 Ų | 86.6 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -114.7 | 130.4 | 134.5 | 25.6 | -13.6 | 0 | 0 | 0 | 110 | H190 | H190-P192 VanDerWaalsContact C-CD 3.43Å; H190-P192 WeakPolarHBondContact O-CD 3.16Å |
| 193 | Q | 37.7 | Very low | 48.6 | Very low | 186 Ų | 186 | 92.9 Ų | 92.9 | 87% | 0.869 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 98.3 | 25.5 | 167.8 | -53 | -170.4 | -15.3 | 0 | 0 | 121.4 | ||
| 194 | I | 32.6 | Very low | 45.6 | Very low | 128 Ų | 128 | 98.7 Ų | 98.7 | 66% | 0.656 | 61% | 0.607 | S | S | * | * | trans | -128.7 | 42.4 | 165.6 | -40.4 | 178.9 | 0 | 0 | 0 | 112.4 | M191 | M191-I194 HydrophobicContact CE-CB 4.01Å; M191-I194 HydrophobicContact CE-CD1 4.15Å; M191-I194 HydrophobicContact CE-CG1 4.32Å; M191-I194 HydrophobicContact SD-CB 4.17Å | ||
| 195 | A | 29.4 | Very low | 43 | Very low | 104 Ų | 104 | 100.1 Ų | 100.1 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | trans | -109.3 | 24.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 196 | S | 30.4 | Very low | 40 | Very low | 114 Ų | 114 | 105.3 Ų | 105.3 | 80% | 0.797 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -114.4 | 13.1 | -178.9 | 49.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 197 | A | 30.5 | Very low | 37.2 | Very low | 87 Ų | 87 | 106.4 Ų | 106.4 | 72% | 0.719 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -144 | 57.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 198 | S | 27.9 | Very low | 34.8 | Very low | 109 Ų | 109 | 105.7 Ų | 105.7 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | trans | -161.2 | 53.6 | 162.8 | 26.7 | 0 | 0 | 0 | 0 | 111.4 | S200 | S198-S200 PolarHBondContact O-N 3.11Š| ||
| 199 | S | 24.7 | Very low | 32.3 | Very low | 119 Ų | 119 | 105.2 Ų | 105.2 | 83% | 0.832 | 66% | 0.656 | S | S | * | * | trans | -82.8 | 68.8 | 161 | 50.2 | 0 | 0 | 0 | 0 | 109.8 | G201 | S199-G201 PolarHBondContact O-N 3.33Š| ||
| 200 | S | 29.3 | Very low | 30.6 | Very low | 100 Ų | 100 | 104.9 Ų | 104.9 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | trans | -67.8 | 115.8 | 152.9 | 52.9 | 0 | 0 | 0 | 0 | 106.3 | S198 N202 | S198-S200 PolarHBondContact O-N 3.11Å; S200-N202 PolarHBondContact O-N 3.13Å | ||
| 201 | G | 25.3 | Very low | 29.4 | Very low | 74 Ų | 74 | 108 Ų | 108 | 76% | 0.763 | 66% | 0.657 | S | S | * | * | trans | -48.7 | 101 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S199 V203 | S199-G201 PolarHBondContact O-N 3.33Å; G201-V203 VanDerWaalsContact C-N 3.33Å; G201-V203 PolarHBondContact O-N 3.26Å | ||
| 202 | N | 25.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 110 Ų | 110 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | trans | -61.5 | 102.7 | 153.6 | -78.1 | -21.3 | 0 | 0 | 0 | 105.7 | S200 P204 | S200-N202 PolarHBondContact O-N 3.13Å; N202-P204 VanDerWaalsContact O-CD 3.27Å; N202-P204 WeakPolarHBondContact O-CD 3.45Å; N202-P204 VanDerWaalsContact O-N 3.17Å | ||
| 203 | V | 28.1 | Very low | 28.6 | Very low | 132 Ų | 132 | 107.8 Ų | 107.8 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | trans | -56.8 | 118.5 | 156.8 | 179.6 | 0 | 0 | 0 | 0 | 105.1 | G201 F205 | G201-V203 VanDerWaalsContact C-N 3.33Å; G201-V203 PolarHBondContact O-N 3.26Å; V203-F205 PolarHBondContact O-N 2.66Å | ||
| 204 | P | 26 | Very low | 28 | Very low | 121 Ų | 121 | 102.6 Ų | 102.6 | 79% | 0.786 | 63% | 0.627 | S | S | * | * | trans | -65.2 | 105.6 | -178 | -14.6 | 28.2 | 0 | 0 | 0 | 108.1 | N202 D206 | N202-P204 VanDerWaalsContact O-CD 3.27Å; N202-P204 WeakPolarHBondContact O-CD 3.45Å; N202-P204 VanDerWaalsContact O-N 3.17Å; P204-D206 PolarHBondContact O-N 2.88Å | ||
| 205 | F | 32.5 | Very low | 27.9 | Very low | 107 Ų | 107 | 100 Ų | 100 | 47% | 0.469 | 62% | 0.621 | S | S | . | * | trans | -78 | 97.1 | 168.4 | -178.7 | -104.7 | 0 | 0 | 0 | 107.4 | V203 G207 M210 | V203-F205 PolarHBondContact O-N 2.66Å; F205-G207 PolarHBondContact O-N 3.07Å; F205-M210 HydrophobicContact CZ-CB 4.22Å | ||
| 206 | D | 26.6 | Very low | 28 | Very low | 112 Ų | 112 | 99.3 Ų | 99.3 | 60% | 0.599 | 61% | 0.605 | S | S | * | * | trans | -72.3 | 106.1 | 161.2 | -171.8 | -4.1 | 0 | 0 | 0 | 107.2 | P204 A208 N209 | P204-D206 PolarHBondContact O-N 2.88Å; D206-A208 PolarHBondContact O-N 2.81Å; D206-A208 WeakPolarHBondContact OD1-CB 3.39Å; D206-A208 PolarHBondContact OD1-N 3.04Å; D206-N209 PolarHBondContact O-N 3.48Å; D206-N209 VanDerWaalsContact O-N 3.07Å | ||
| 207 | G | 27.2 | Very low | 28.8 | Very low | 26 Ų | 26 | 99.4 Ų | 99.4 | 27% | 0.268 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.3 | -17.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F205 N209 Y211 | F205-G207 PolarHBondContact O-N 3.07Å; G207-N209 VanDerWaalsContact C-N 3.29Å; G207-N209 PolarHBondContact O-N 3.45Å; G207-Y211 WeakPolarHBondContact O-CD2 3.37Å |
| 208 | A | 28.5 | Very low | 29.9 | Very low | 41 Ų | 41 | 95.6 Ų | 95.6 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.9 | -31.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D206 M210 Y211 F212 | D206-A208 PolarHBondContact O-N 2.81Å; D206-A208 WeakPolarHBondContact OD1-CB 3.39Å; D206-A208 PolarHBondContact OD1-N 3.04Å; A208-M210 PolarHBondContact O-N 2.69Å; A208-Y211 CarbonylContact O-C 3.08Å; A208-Y211 WeakPolarHBondContact O-CA 3.4Å; A208-Y211 WeakPolarHBondContact O-CB 3.48Å; A208-Y211 PolarHBondContact O-N 3.41Å; A208-F212 PolarHBondContact O-N 2.82Å |
| 209 | N | 27.2 | Very low | 30.9 | Very low | 109 Ų | 109 | 92 Ų | 92 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -78 | -22 | -173.3 | -88.1 | -11.5 | 0 | 0 | 0 | 114.7 | D206 G207 F212 I213 | D206-N209 PolarHBondContact O-N 3.48Å; D206-N209 VanDerWaalsContact O-N 3.07Å; G207-N209 VanDerWaalsContact C-N 3.29Å; G207-N209 PolarHBondContact O-N 3.45Å; N209-F212 CarbonylContact O-C 3.6Å; N209-F212 PolarHBondContact O-N 2.8Å; N209-I213 PolarHBondContact O-N 2.77Å |
| 210 | M | 27.8 | Very low | 31.9 | Very low | 47 Ų | 47 | 92 Ų | 92 | 23% | 0.232 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -80.7 | -26.6 | 167.7 | -151.3 | -174.8 | 76.4 | 0 | 0 | 111.7 | F205 A208 F212 I213 A330 Y416 | F205-M210 HydrophobicContact CZ-CB 4.22Å; A208-M210 PolarHBondContact O-N 2.69Å; M210-F212 PolarHBondContact O-N 2.7Å; M210-I213 HydrophobicContact CG-CD1 4.08Å; M210-I213 PolarHBondContact O-N 2.77Å; M210-A330 HydrophobicContact CE-CB 2.98Å; M210-A330 HydrophobicContact SD-CB 3.39Å; M210-A330 WeakPolarHBondContact SD-CB 3.39Å; M210-Y416 HydrophobicContact SD-CE2 4.22Å |
| 211 | Y | 27.3 | Very low | 33 | Very low | 176 Ų | 176 | 89.8 Ų | 89.8 | 69% | 0.69 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.5 | -18.6 | 163.5 | -66.9 | -74.7 | 0 | 0 | 0 | 112.3 | G207 A208 | G207-Y211 WeakPolarHBondContact O-CD2 3.37Å; A208-Y211 CarbonylContact O-C 3.08Å; A208-Y211 WeakPolarHBondContact O-CA 3.4Å; A208-Y211 WeakPolarHBondContact O-CB 3.48Å; A208-Y211 PolarHBondContact O-N 3.41Å |
| 212 | F | 26.1 | Very low | 34.2 | Very low | 164 Ų | 164 | 90.9 Ų | 90.9 | 72% | 0.719 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -6 | 176.3 | -115.8 | -83.2 | 0 | 0 | 0 | 115.1 | A208 N209 M210 P214 | A208-F212 PolarHBondContact O-N 2.82Å; N209-F212 CarbonylContact O-C 3.6Å; N209-F212 PolarHBondContact O-N 2.8Å; M210-F212 PolarHBondContact O-N 2.7Å; F212-P214 VanDerWaalsContact C-N 3.35Å; F212-P214 WeakPolarHBondContact O-CD 3.49Å; F212-P214 VanDerWaalsContact O-N 3.12Å |
| 213 | I | 29.6 | Very low | 35.5 | Very low | 58 Ų | 58 | 91.4 Ų | 91.4 | 30% | 0.297 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -70.2 | 103.9 | 153.3 | -54.5 | 174.3 | 0 | 0 | 0 | 103.1 | N209 M210 S215 Y419 | N209-I213 PolarHBondContact O-N 2.77Å; M210-I213 HydrophobicContact CG-CD1 4.08Å; M210-I213 PolarHBondContact O-N 2.77Å; I213-S215 PolarHBondContact O-N 3.43Å; I213-Y419 HydrophobicContact CD1-CD2 3.39Å; I213-Y419 HydrophobicContact CD1-CE2 3.75Å; I213-Y419 HydrophobicContact CD1-CG 3.84Å; I213-Y419 HydrophobicContact CG1-CD2 4.34Å; I213-Y419 HydrophobicContact CG1-CE2 4.47Å |
| 214 | P | 26.3 | Very low | 36.7 | Very low | 77 Ų | 77 | 87.1 Ų | 87.1 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | trans | -58.6 | 125.3 | -167.5 | -19.6 | 32.9 | 0 | 0 | 0 | 107.2 | F212 V216 | F212-P214 VanDerWaalsContact C-N 3.35Å; F212-P214 WeakPolarHBondContact O-CD 3.49Å; F212-P214 VanDerWaalsContact O-N 3.12Å; P214-V216 HydrophobicContact CB-CB 3.74Å; P214-V216 HydrophobicContact CB-CG2 3.36Å; P214-V216 PolarHBondContact O-N 2.83Å | ||
| 215 | S | 30.9 | Very low | 38.2 | Very low | 74 Ų | 74 | 82.5 Ų | 82.5 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | trans | -62.9 | 7.7 | 167 | 94 | 0 | 0 | 0 | 0 | 111.7 | I213 Y217 | I213-S215 PolarHBondContact O-N 3.43Å; S215-Y217 VanDerWaalsContact C-N 3.34Å; S215-Y217 PolarHBondContact O-N 3.47Å | ||
| 216 | V | 31.6 | Very low | 39.5 | Very low | 89 Ų | 89 | 81.2 Ų | 81.2 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -58.6 | 94.1 | 171.3 | -176.5 | 0 | 0 | 0 | 0 | 108 | P214 W218 | P214-V216 HydrophobicContact CB-CB 3.74Å; P214-V216 HydrophobicContact CB-CG2 3.36Å; P214-V216 PolarHBondContact O-N 2.83Å; V216-W218 VanDerWaalsContact C-N 3.33Å; V216-W218 PolarHBondContact O-N 2.93Å |
| 217 | Y | 46.9 | Very low | 41.4 | Very low | 115 Ų | 115 | 81.1 Ų | 81.1 | 45% | 0.451 | 44% | 0.439 | S | S | . | . | trans | 30.9 | 61.2 | 151.4 | -63.3 | -90.8 | 0 | 0 | 0 | 114.3 | S215 E219 N220 N221 H319 | S215-Y217 VanDerWaalsContact C-N 3.34Å; S215-Y217 PolarHBondContact O-N 3.47Å; Y217-E219 PolarHBondContact O-N 2.75Å; Y217-N220 CarbonylContact O-C 3.56Å; Y217-N220 PolarHBondContact O-N 3.45Å; Y217-N221 PolarHBondContact O-N 2.95Å; Y217-H319 HydrophobicContact CD1-CB 4.32Å; Y217-H319 HydrophobicContact CE1-CB 3.32Å; Y217-H319 VanDerWaalsContact OH-CB 3.29Å; Y217-H319 WeakPolarHBondContact OH-CB 3.44Å | ||
| 218 | W | 52.2 | Low | 43.7 | Very low | 7 Ų | 7 | 80.7 Ų | 80.7 | 3% | 0.027 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -63.7 | -26.1 | 177.6 | 63.2 | -95.6 | 0 | 0 | 0 | 111.5 | V216 N220 N221 V224 F228 I322 Y408 L411 K415 | V216-W218 VanDerWaalsContact C-N 3.33Å; V216-W218 PolarHBondContact O-N 2.93Å; W218-N220 PolarHBondContact O-N 3.1Å; W218-N221 PolarHBondContact O-N 3.23Å; W218-V224 HydrophobicContact CB-CB 3.83Å; W218-V224 HydrophobicContact CB-CG1 3.67Å; W218-V224 HydrophobicContact CB-CG2 3.96Å; W218-V224 HydrophobicContact CG-CG1 4.43Å; W218-F228 HydrophobicContact CE3-CZ 4.48Å; W218-F228 HydrophobicContact CZ3-CZ 4.36Å; W218-I322 HydrophobicContact CZ2-CG2 4.43Å; W218-Y408 AromaticContact CH2-CD1 3.94Å; W218-Y408 HydrophobicContact CH2-CD1 3.94Å; W218-Y408 AromaticContact CH2-CE1 3.72Å; W218-Y408 HydrophobicContact CH2-CE1 3.72Å; W218-Y408 AromaticContact CZ2-CD1 3.89Å; W218-Y408 HydrophobicContact CZ2-CD1 3.89Å; W218-Y408 AromaticContact CZ2-CE1 3.8Å; W218-Y408 HydrophobicContact CZ2-CE1 3.8Å; W218-L411 HydrophobicContact CH2-CB 3.58Å; W218-L411 HydrophobicContact CH2-CD1 3.85Å; W218-L411 HydrophobicContact CH2-CG 4.37Å; W218-L411 HydrophobicContact CZ2-CB 4.42Å; W218-L411 HydrophobicContact CZ3-CB 4.21Å; W218-L411 HydrophobicContact CZ3-CD1 4.21Å; W218-K415 HydrophobicContact CG-CD 4.23Å |
| 219 | E | 49 | Very low | 45.7 | Very low | 33 Ų | 33 | 81.5 Ų | 81.5 | 15% | 0.154 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -50.2 | -42.9 | 169 | -176 | -178.2 | -161.8 | 0 | 0 | 111.4 | Y217 R318 Y408 | Y217-E219 PolarHBondContact O-N 2.75Å; E219-R318 IonicContact OE1-CZ 2.76Å; E219-R318 IonicContact OE1-NH1 2.95Å; E219-R318 PolarHBondContact OE1-NH1 3.1Å; E219-Y408 WeakPolarHBondContact CG-OH 3.47Å; E219-Y408 PolarHBondContact OE1-OH 3.09Å; E219-Y408 PolarHBondContact OE2-OH 2.97Å |
| 220 | N | 46.3 | Very low | 48.2 | Very low | 120 Ų | 120 | 78.6 Ų | 78.6 | 64% | 0.642 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -98.6 | 3.1 | 179.9 | -64.7 | -30.1 | 0 | 0 | 0 | 113.2 | Y217 W218 P222 | Y217-N220 CarbonylContact O-C 3.56Å; Y217-N220 PolarHBondContact O-N 3.45Å; W218-N220 PolarHBondContact O-N 3.1Å; N220-P222 WeakPolarHBondContact O-CD 3.47Å |
| 221 | N | 51.8 | Low | 50.6 | Low | 53 Ų | 53 | 78.2 Ų | 78.2 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | trans | -101.9 | 93.2 | 179.7 | -165.5 | -20 | 0 | 0 | 0 | 109.4 | Y217 W218 K223 V224 V225 | Y217-N221 PolarHBondContact O-N 2.95Å; W218-N221 PolarHBondContact O-N 3.23Å; N221-K223 PolarHBondContact O-N 2.84Å; N221-K223 VanDerWaalsContact OD1-CB 3.25Å; N221-K223 WeakPolarHBondContact OD1-CB 3.32Å; N221-K223 PolarHBondContact OD1-N 3.46Å; N221-K223 VanDerWaalsContact OD1-N 3.1Å; N221-V224 HydrophobicContact CB-CB 4.48Å; N221-V224 HydrophobicContact CB-CG2 4.01Å; N221-V224 PolarHBondContact O-N 2.91Å; N221-V225 PolarHBondContact O-N 2.81Å | ||
| 222 | P | 51.7 | Low | 52.8 | Low | 98 Ų | 98 | 71.6 Ų | 71.6 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.4 | -20.9 | 178.8 | 21.1 | -32.2 | 0 | 0 | 0 | 112.5 | N220 A226 | N220-P222 WeakPolarHBondContact O-CD 3.47Å; P222-A226 WeakPolarHBondContact O-CB 3.41Å; P222-A226 PolarHBondContact O-N 3.25Å |
| 223 | K | 51 | Low | 55.3 | Low | 161 Ų | 161 | 64.1 Ų | 64.1 | 70% | 0.7 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -70 | -35 | 174.9 | -58.5 | -176.7 | 176.7 | -179.1 | 0 | 113.6 | N221 N227 | N221-K223 PolarHBondContact O-N 2.84Å; N221-K223 VanDerWaalsContact OD1-CB 3.25Å; N221-K223 WeakPolarHBondContact OD1-CB 3.32Å; N221-K223 PolarHBondContact OD1-N 3.46Å; N221-K223 VanDerWaalsContact OD1-N 3.1Å; K223-N227 VanDerWaalsContact O-CG 3.27Å; K223-N227 PolarHBondContact O-ND2 3.28Å; K223-N227 PolarHBondContact O-OD1 2.84Å |
| 224 | V | 54.1 | Low | 57.9 | Low | 41 Ų | 41 | 62 Ų | 62 | 25% | 0.248 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.9 | -43.5 | 179 | 180 | 0 | 0 | 0 | 0 | 109.7 | W218 N221 N227 | W218-V224 HydrophobicContact CB-CB 3.83Å; W218-V224 HydrophobicContact CB-CG1 3.67Å; W218-V224 HydrophobicContact CB-CG2 3.96Å; W218-V224 HydrophobicContact CG-CG1 4.43Å; N221-V224 HydrophobicContact CB-CB 4.48Å; N221-V224 HydrophobicContact CB-CG2 4.01Å; N221-V224 PolarHBondContact O-N 2.91Å; V224-N227 WeakPolarHBondContact O-CB 3.36Å; V224-N227 PolarHBondContact O-N 3.41Å |
| 225 | V | 58.6 | Low | 60.8 | Low | 25 Ų | 25 | 58.5 Ų | 58.5 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | N221 N227 F228 I391 | N221-V225 PolarHBondContact O-N 2.81Å; V225-N227 PolarHBondContact O-N 2.81Å; V225-N227 VanDerWaalsContact O-N 3.1Å; V225-F228 WeakPolarHBondContact O-CB 3.26Å; V225-F228 PolarHBondContact O-N 3.03Å; V225-I391 HydrophobicContact CB-CD1 4.48Å; V225-I391 HydrophobicContact CB-CG2 4.45Å; V225-I391 HydrophobicContact CG1-CD1 3.27Å; V225-I391 HydrophobicContact CG1-CG1 3.96Å; V225-I391 HydrophobicContact CG1-CG2 3.96Å; V225-I391 HydrophobicContact CG2-CD1 4.47Å; V225-I391 HydrophobicContact CG2-CG1 4.28Å; V225-I391 HydrophobicContact CG2-CG2 3.79Å |
| 226 | A | 58.8 | Low | 63.6 | Low | 80 Ų | 80 | 55.1 Ų | 55.1 | 66% | 0.661 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | P222 | P222-A226 WeakPolarHBondContact O-CB 3.41Å; P222-A226 PolarHBondContact O-N 3.25Å |
| 227 | N | 65.9 | Low | 66.5 | Low | 110 Ų | 110 | 50.9 Ų | 50.9 | 59% | 0.588 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7.3 | 175.2 | -67.2 | -17.9 | 0 | 0 | 0 | 113.3 | K223 V224 V225 T229 | K223-N227 VanDerWaalsContact O-CG 3.27Å; K223-N227 PolarHBondContact O-ND2 3.28Å; K223-N227 PolarHBondContact O-OD1 2.84Å; V224-N227 WeakPolarHBondContact O-CB 3.36Å; V224-N227 PolarHBondContact O-N 3.41Å; V225-N227 PolarHBondContact O-N 2.81Å; V225-N227 VanDerWaalsContact O-N 3.1Å; N227-T229 PolarHBondContact O-N 3.25Å |
| 228 | F | 75.9 | Confident | 68.4 | Low | 17 Ų | 17 | 46.2 Ų | 46.2 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | trans | -67.2 | 108.3 | 172.9 | -67.8 | -17.8 | 0 | 0 | 0 | 109.4 | W218 V225 I230 L387 L411 M414 K415 E418 | W218-F228 HydrophobicContact CE3-CZ 4.48Å; W218-F228 HydrophobicContact CZ3-CZ 4.36Å; V225-F228 WeakPolarHBondContact O-CB 3.26Å; V225-F228 PolarHBondContact O-N 3.03Å; F228-I230 PolarHBondContact O-N 3.36Å; F228-L387 HydrophobicContact CD2-CD1 4.24Å; F228-L411 HydrophobicContact CE2-CD2 4.24Å; F228-M414 HydrophobicContact CB-CE 4.26Å; F228-M414 HydrophobicContact CD1-CB 4.45Å; F228-M414 HydrophobicContact CD2-CE 4.31Å; F228-M414 HydrophobicContact CE1-CB 4.35Å; F228-M414 HydrophobicContact CG-CE 4.29Å; F228-K415 HydrophobicContact CE1-CB 3.97Å; F228-K415 HydrophobicContact CZ-CB 4.29Å; F228-E418 HydrophobicContact CD1-CG 4.45Å | ||
| 229 | T | 71 | Confident | 69.9 | Low | 57 Ų | 57 | 46.6 Ų | 46.6 | 35% | 0.35 | 27% | 0.266 | S | S | . | . | trans | -74.7 | 115.9 | 163.9 | 52 | 0 | 0 | 0 | 0 | 107.8 | N227 D348 R417 E418 R421 | N227-T229 PolarHBondContact O-N 3.25Å; T229-D348 PolarHBondContact OG1-OD1 3.01Å; T229-R417 PolarHBondContact O-NH2 3.12Å; T229-E418 PolarHBondContact OG1-OE1 3.35Å; T229-E418 VanDerWaalsContact OG1-OE1 3.04Å; T229-R421 PolarHBondContact OG1-NH1 2.98Å | ||
| 230 | I | 79.5 | Confident | 71.7 | Confident | 49 Ų | 49 | 45.7 Ų | 45.7 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | trans | -118.9 | 134.4 | 177.8 | -174.8 | 163.3 | 0 | 0 | 0 | 110 | F228 D348 L350 A383 L387 | F228-I230 PolarHBondContact O-N 3.36Å; I230-D348 CarbonylContact C-O 3.41Å; I230-D348 VanDerWaalsContact CA-O 3.25Å; I230-D348 WeakPolarHBondContact CA-O 3.3Å; I230-L350 HydrophobicContact CD1-CB 3.83Å; I230-L350 HydrophobicContact CD1-CD1 4.01Å; I230-L350 HydrophobicContact CD1-CG 4.32Å; I230-L350 HydrophobicContact CG1-CB 4.38Å; I230-A383 HydrophobicContact CD1-CB 4.09Å; I230-A383 HydrophobicContact CG1-CB 4.47Å; I230-L387 HydrophobicContact CB-CD2 4.13Å; I230-L387 HydrophobicContact CD1-CB 3.78Å; I230-L387 HydrophobicContact CD1-CD2 3.53Å; I230-L387 HydrophobicContact CD1-CG 4.2Å; I230-L387 HydrophobicContact CG1-CD2 4.43Å; I230-L387 HydrophobicContact CG2-CD2 4.04Å | ||
| 231 | S | 77.8 | Confident | 73.9 | Confident | 38 Ų | 38 | 40 Ų | 40 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | trans | -102.7 | 173 | 165.1 | 73.7 | 0 | 0 | 0 | 0 | 110.1 | Q233 D348 | S231-Q233 PolarHBondContact O-N 2.98Å; S231-Q233 WeakPolarHBondContact OG-CB 3.44Å; S231-Q233 PolarHBondContact OG-N 2.88Å; S231-D348 PolarHBondContact N-O 3.25Å; S231-D348 PolarHBondContact OG-O 3.36Å | ||
| 232 | E | 74.4 | Confident | 75.7 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -73.6 | 2.5 | 173.4 | -69.5 | -64.2 | 136.6 | 0 | 0 | 113.4 | S382 A383 S384 A636 V702 | E232-S382 WeakPolarHBondContact OE2-CB 3.49Å; E232-A383 PolarHBondContact OE2-N 2.86Å; E232-S384 PolarHBondContact OE1-OG 3.49Å; E232-A636 HydrophobicContact CB-CB 4.33Å; E232-V702 HydrophobicContact CB-CG1 3.7Å; E232-V702 HydrophobicContact CG-CG1 3.95Å |
| 233 | Q | 78.8 | Confident | 77.6 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | trans | -76.7 | 136.4 | 171.8 | -68.2 | -177.1 | -2.8 | 0 | 0 | 110.8 | S231 S349 L350 R634 L635 A636 | S231-Q233 PolarHBondContact O-N 2.98Å; S231-Q233 WeakPolarHBondContact OG-CB 3.44Å; S231-Q233 PolarHBondContact OG-N 2.88Å; Q233-S349 WeakPolarHBondContact CB-OG 3.32Å; Q233-S349 CarbonylContact O-C 3.59Å; Q233-S349 VanDerWaalsContact O-CA 3.3Å; Q233-S349 WeakPolarHBondContact O-CA 2.78Å; Q233-S349 PolarHBondContact OE1-OG 3.47Å; Q233-S349 VanDerWaalsContact OE1-OG 3.1Å; Q233-L350 PolarHBondContact O-N 3.1Å; Q233-R634 PolarHBondContact NE2-O 2.92Å; Q233-L635 PolarHBondContact NE2-O 3.47Å; Q233-A636 HydrophobicContact CG-CB 4.02Å | ||
| 234 | V | 83.9 | Confident | 79.7 | Confident | 15 Ų | 15 | 26.1 Ų | 26.1 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 122.7 | 173.3 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | L350 V352 L372 L376 A383 | V234-L350 WeakPolarHBondContact CA-O 3.4Å; V234-L350 HydrophobicContact CG1-CD2 4.42Å; V234-L350 HydrophobicContact CG2-CB 4.3Å; V234-L350 HydrophobicContact CG2-CD2 4.3Å; V234-V352 HydrophobicContact CG1-CB 4.38Å; V234-V352 HydrophobicContact CG1-CG2 3.53Å; V234-L372 HydrophobicContact CG1-CD2 4.08Å; V234-L376 HydrophobicContact CB-CD1 3.89Å; V234-L376 HydrophobicContact CG1-CD1 4.08Å; V234-L376 HydrophobicContact CG2-CD1 3.8Å; V234-L376 HydrophobicContact CG2-CD2 4.13Å; V234-A383 HydrophobicContact CG2-CB 3.78Å |
| 235 | V | 87.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 114.6 | -178 | 170.1 | 0 | 0 | 0 | 0 | 109.5 | F241 S349 L350 L351 V352 Y631 | V235-F241 HydrophobicContact CG1-CB 4.35Å; V235-F241 HydrophobicContact CG1-CD1 4.26Å; V235-F241 HydrophobicContact CG1-CD2 3.42Å; V235-F241 VanDerWaalsContact CG1-CD2 3.42Å; V235-F241 HydrophobicContact CG1-CE1 4.44Å; V235-F241 HydrophobicContact CG1-CE2 3.63Å; V235-F241 HydrophobicContact CG1-CG 3.75Å; V235-F241 HydrophobicContact CG1-CZ 4.14Å; V235-S349 VanDerWaalsContact CG2-CB 3.46Å; V235-S349 WeakPolarHBondContact CG2-OG 3.46Å; V235-L350 PolarHBondContact N-O 3.37Å; V235-L351 HydrophobicContact CB-CD2 4.03Å; V235-L351 HydrophobicContact CG1-CD2 4.22Å; V235-V352 PolarHBondContact O-N 3.41Å; V235-Y631 HydrophobicContact CG2-CE1 3.78Å |
| 236 | S | 89.9 | Confident | 83.3 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 138.5 | 170 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | T238 V352 S595 | S236-T238 VanDerWaalsContact CB-OG1 3.23Å; S236-T238 WeakPolarHBondContact CB-OG1 3.37Å; S236-T238 PolarHBondContact O-N 3.1Å; S236-V352 CarbonylContact C-O 3.49Å; S236-V352 VanDerWaalsContact CA-O 3.26Å; S236-V352 WeakPolarHBondContact CA-O 3.12Å; S236-S595 WeakPolarHBondContact O-CB 3.29Å |
| 237 | L | 92.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -77.6 | 43.3 | 176.5 | -57.7 | -177.6 | 0 | 0 | 0 | 112.2 | F242 L244 L351 V352 E353 I355 L413 | L237-F242 WeakPolarHBondContact O-CA 3.46Å; L237-L244 HydrophobicContact CD2-CB 4.17Å; L237-L244 HydrophobicContact CD2-CD1 4.49Å; L237-L351 HydrophobicContact CD2-CB 4.32Å; L237-V352 PolarHBondContact N-O 3.42Å; L237-E353 HydrophobicContact CD1-CB 4.05Å; L237-I355 WeakPolarHBondContact O-CD1 3.05Å; L237-L413 HydrophobicContact CD1-CD1 3.54Å; L237-L413 HydrophobicContact CD2-CD1 3.94Å; L237-L413 HydrophobicContact CG-CD1 4.41Å |
| 238 | T | 86.5 | Confident | 86.2 | Confident | 18 Ų | 18 | 14.1 Ų | 14.1 | 11% | 0.11 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -117.1 | 173.8 | 178.3 | 34.8 | 0 | 0 | 0 | 0 | 109.1 | S236 T240 F241 F242 T354 I355 E369 S595 | S236-T238 VanDerWaalsContact CB-OG1 3.23Å; S236-T238 WeakPolarHBondContact CB-OG1 3.37Å; S236-T238 PolarHBondContact O-N 3.1Å; T238-T240 PolarHBondContact O-N 2.89Å; T238-F241 CarbonylContact O-C 3.44Å; T238-F241 WeakPolarHBondContact O-CA 2.94Å; T238-F241 PolarHBondContact O-N 2.87Å; T238-F242 PolarHBondContact O-N 2.81Å; T238-F242 VanDerWaalsContact O-N 3.15Å; T238-T354 WeakPolarHBondContact CG2-OG1 3.43Å; T238-I355 HydrophobicContact CG2-CG1 3.74Å; T238-E369 PolarHBondContact OG1-OE2 3.12Å; T238-S595 WeakPolarHBondContact CB-OG 3.22Å; T238-S595 PolarHBondContact OG1-OG 3.31Å |
| 239 | G | 84.1 | Confident | 86.7 | Confident | 14 Ų | 14 | 13.8 Ų | 13.8 | 14% | 0.144 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | 62 | -128.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | F241 F242 | G239-F241 PolarHBondContact O-N 3.45Å; G239-F242 WeakPolarHBondContact O-CB 3.36Å; G239-F242 PolarHBondContact O-N 3.23Å; G239-F242 VanDerWaalsContact O-N 3.11Å |
| 240 | T | 86.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 11.5 Ų | 11.5 | 9% | 0.086 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -59.1 | -30.6 | 175.9 | -67.3 | 0 | 0 | 0 | 0 | 112 | T238 P243 L342 N553 S595 W596 | T238-T240 PolarHBondContact O-N 2.89Å; T240-P243 WeakPolarHBondContact O-CD 3.38Å; T240-L342 HydrophobicContact CG2-CD1 4.36Å; T240-N553 HydrophobicContact CG2-CB 4.16Å; T240-S595 PolarHBondContact N-O 3.39Å; T240-W596 PolarHBondContact N-O 3.14Å; T240-W596 PolarHBondContact OG1-O 3.03Å |
| 241 | F | 91.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 14.4 Ų | 14.4 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -92.1 | -2.9 | -179.9 | -54.7 | -69.8 | 0 | 0 | 0 | 113.7 | V235 T238 G239 P243 L244 L342 T346 L456 P598 Y631 | V235-F241 HydrophobicContact CG1-CB 4.35Å; V235-F241 HydrophobicContact CG1-CD1 4.26Å; V235-F241 HydrophobicContact CG1-CD2 3.42Å; V235-F241 VanDerWaalsContact CG1-CD2 3.42Å; V235-F241 HydrophobicContact CG1-CE1 4.44Å; V235-F241 HydrophobicContact CG1-CE2 3.63Å; V235-F241 HydrophobicContact CG1-CG 3.75Å; V235-F241 HydrophobicContact CG1-CZ 4.14Å; T238-F241 CarbonylContact O-C 3.44Å; T238-F241 WeakPolarHBondContact O-CA 2.94Å; T238-F241 PolarHBondContact O-N 2.87Å; G239-F241 PolarHBondContact O-N 3.45Å; F241-P243 VanDerWaalsContact C-N 3.29Å; F241-L244 HydrophobicContact CB-CD1 4.35Å; F241-L244 HydrophobicContact CD1-CD1 4.26Å; F241-L244 VanDerWaalsContact O-CB 3.29Å; F241-L244 WeakPolarHBondContact O-CB 3.36Å; F241-L244 PolarHBondContact O-N 3.39Å; F241-L342 HydrophobicContact CD1-CD1 4.05Å; F241-L342 HydrophobicContact CD1-CG 4.46Å; F241-L342 HydrophobicContact CE1-CD1 4.26Å; F241-T346 HydrophobicContact CD1-CG2 3.95Å; F241-T346 HydrophobicContact CE1-CG2 3.84Å; F241-L456 HydrophobicContact CE1-CD1 4.42Å; F241-L456 HydrophobicContact CE1-CD2 3.79Å; F241-L456 HydrophobicContact CZ-CD1 3.91Å; F241-L456 HydrophobicContact CZ-CD2 4.12Å; F241-P598 HydrophobicContact CE2-CG 3.99Å; F241-P598 HydrophobicContact CZ-CG 4.19Å; F241-Y631 HydrophobicContact CZ-CD1 4.32Å; F241-Y631 HydrophobicContact CZ-CE1 4.11Å |
| 242 | F | 89.9 | Confident | 87.9 | Confident | 15 Ų | 15 | 12.7 Ų | 12.7 | 7% | 0.066 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -50.7 | -40.1 | 178.1 | -179.5 | -145.2 | 0 | 0 | 0 | 113.8 | L237 T238 G239 L244 S245 Y248 I355 R540 | L237-F242 WeakPolarHBondContact O-CA 3.46Å; T238-F242 PolarHBondContact O-N 2.81Å; T238-F242 VanDerWaalsContact O-N 3.15Å; G239-F242 WeakPolarHBondContact O-CB 3.36Å; G239-F242 PolarHBondContact O-N 3.23Å; G239-F242 VanDerWaalsContact O-N 3.11Å; F242-L244 PolarHBondContact O-N 2.91Å; F242-S245 VanDerWaalsContact O-CB 3.25Å; F242-S245 WeakPolarHBondContact O-CB 3.48Å; F242-S245 PolarHBondContact O-N 2.93Å; F242-Y248 AromaticContact CD1-CD2 3.63Å; F242-Y248 HydrophobicContact CD1-CD2 3.63Å; F242-Y248 AromaticContact CD1-CE2 3.98Å; F242-Y248 HydrophobicContact CD1-CE2 3.98Å; F242-Y248 HydrophobicContact CD2-CD2 4.05Å; F242-Y248 AromaticContact CE1-CD2 3.48Å; F242-Y248 HydrophobicContact CE1-CD2 3.48Å; F242-Y248 VanDerWaalsContact CE1-CD2 3.48Å; F242-Y248 AromaticContact CE1-CE2 3.91Å; F242-Y248 HydrophobicContact CE1-CE2 3.91Å; F242-Y248 AromaticContact CE2-CD2 3.88Å; F242-Y248 HydrophobicContact CE2-CD2 3.88Å; F242-Y248 HydrophobicContact CE2-CG 4.44Å; F242-Y248 AromaticContact CG-CD2 3.94Å; F242-Y248 HydrophobicContact CG-CD2 3.94Å; F242-Y248 AromaticContact CZ-CD2 3.63Å; F242-Y248 HydrophobicContact CZ-CD2 3.63Å; F242-Y248 HydrophobicContact CZ-CE2 4.46Å; F242-Y248 WeakPolarHBondContact O-CB 3.3Å; F242-I355 HydrophobicContact CD2-CD1 3.47Å; F242-I355 VanDerWaalsContact CD2-CD1 3.47Å; F242-I355 HydrophobicContact CD2-CG1 4.44Å; F242-I355 HydrophobicContact CE2-CD1 3.46Å; F242-I355 VanDerWaalsContact CE2-CD1 3.46Å; F242-I355 HydrophobicContact CE2-CG1 4.46Å; F242-R540 HydrophobicContact CD1-CG 4.46Å; F242-R540 HydrophobicContact CE1-CB 4.32Å; F242-R540 HydrophobicContact CE1-CG 3.77Å; F242-R540 HydrophobicContact CZ-CB 4.45Å; F242-R540 HydrophobicContact CZ-CG 4.01Å |
| 243 | P | 92.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 15.1 Ų | 15.1 | 3% | 0.026 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -58.9 | -18.8 | 176.6 | -26.6 | 37.3 | 0 | 0 | 0 | 114.9 | T240 F241 Y248 K332 L339 L342 L549 | T240-P243 WeakPolarHBondContact O-CD 3.38Å; F241-P243 VanDerWaalsContact C-N 3.29Å; P243-Y248 HydrophobicContact CB-CD1 4.38Å; P243-Y248 HydrophobicContact CB-CE1 4.25Å; P243-K332 WeakPolarHBondContact O-CE 3.47Å; P243-K332 PolarHBondContact O-NZ 3.49Å; P243-L339 HydrophobicContact CB-CD2 3.58Å; P243-L342 HydrophobicContact CB-CD2 4.27Å; P243-L342 HydrophobicContact CG-CD2 4.43Å; P243-L549 HydrophobicContact CG-CD2 3.76Å; P243-L549 HydrophobicContact CG-CG 4.36Å |
| 244 | L | 94.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -76.5 | -30.1 | 175.4 | -58.8 | 179.6 | 0 | 0 | 0 | 112.1 | L237 F241 F242 K332 F333 L339 L342 L343 T346 L413 | L237-L244 HydrophobicContact CD2-CB 4.17Å; L237-L244 HydrophobicContact CD2-CD1 4.49Å; F241-L244 HydrophobicContact CB-CD1 4.35Å; F241-L244 HydrophobicContact CD1-CD1 4.26Å; F241-L244 VanDerWaalsContact O-CB 3.29Å; F241-L244 WeakPolarHBondContact O-CB 3.36Å; F241-L244 PolarHBondContact O-N 3.39Å; F242-L244 PolarHBondContact O-N 2.91Å; L244-K332 PolarHBondContact O-NZ 2.57Å; L244-F333 HydrophobicContact CD2-CE1 4.31Å; L244-F333 HydrophobicContact CD2-CZ 3.84Å; L244-L339 HydrophobicContact CD2-CB 4.38Å; L244-L339 HydrophobicContact CD2-CD2 4.41Å; L244-L342 HydrophobicContact CD1-CD2 4.47Å; L244-L342 HydrophobicContact CD1-CG 4.18Å; L244-L342 HydrophobicContact CD2-CB 4.22Å; L244-L342 HydrophobicContact CD2-CD2 4Å; L244-L342 HydrophobicContact CD2-CG 4.07Å; L244-L342 HydrophobicContact CG-CD2 3.91Å; L244-L342 HydrophobicContact CG-CG 4.1Å; L244-L343 HydrophobicContact CD1-CD1 4.29Å; L244-L343 HydrophobicContact CD2-CB 4.09Å; L244-T346 HydrophobicContact CD1-CG2 4.15Å; L244-L413 HydrophobicContact CB-CD1 4Å |
| 245 | S | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -53.1 | 145.5 | -176.3 | 172 | 0 | 0 | 0 | 0 | 113.9 | F242 F247 Y248 K332 E353 I355 | F242-S245 VanDerWaalsContact O-CB 3.25Å; F242-S245 WeakPolarHBondContact O-CB 3.48Å; F242-S245 PolarHBondContact O-N 2.93Å; S245-F247 PolarHBondContact O-N 3.45Å; S245-F247 PolarHBondContact OG-N 3.41Å; S245-Y248 PolarHBondContact O-N 3.35Å; S245-K332 PolarHBondContact O-NZ 2.79Å; S245-E353 WeakPolarHBondContact CB-OE2 3.3Å; S245-E353 PolarHBondContact OG-OE1 3.27Å; S245-E353 PolarHBondContact OG-OE2 2.93Å; S245-I355 VanDerWaalsContact CB-CD1 3.46Å; S245-I355 WeakPolarHBondContact OG-CD1 3.49Å |
| 246 | S | 94.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.2 | 170 | -61.5 | 0 | 0 | 0 | 0 | 113 | A263 S409 | S246-A263 WeakPolarHBondContact O-CB 3.43Å; S246-A263 PolarHBondContact O-N 3.4Å; S246-S409 WeakPolarHBondContact CB-OG 3.39Å; S246-S409 PolarHBondContact N-OG 3.03Å; S246-S409 PolarHBondContact OG-OG 3.11Å |
| 247 | F | 93 | Very high | 88.4 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 1.4 | 179.4 | -61 | -78.8 | 0 | 0 | 0 | 113.5 | S245 A249 A263 F267 P290 P294 E353 I355 C356 L363 | S245-F247 PolarHBondContact O-N 3.45Å; S245-F247 PolarHBondContact OG-N 3.41Å; F247-A249 PolarHBondContact O-N 2.95Å; F247-A263 HydrophobicContact CD1-CB 3.68Å; F247-A263 HydrophobicContact CE1-CB 3.79Å; F247-A263 HydrophobicContact CG-CB 4.43Å; F247-F267 HydrophobicContact CE1-CE2 4.02Å; F247-F267 HydrophobicContact CZ-CE2 4.38Å; F247-P290 HydrophobicContact CB-CB 4.32Å; F247-P290 HydrophobicContact CD1-CB 4.41Å; F247-P290 VanDerWaalsContact CD1-O 3.3Å; F247-P290 WeakPolarHBondContact CD1-O 3.4Å; F247-P290 VanDerWaalsContact O-CB 3.27Å; F247-P290 WeakPolarHBondContact O-CB 3.35Å; F247-P290 WeakPolarHBondContact O-CG 3.45Å; F247-P294 HydrophobicContact CE1-CG 3.9Å; F247-P294 HydrophobicContact CZ-CG 4.05Å; F247-E353 HydrophobicContact CD2-CG 4.06Å; F247-E353 HydrophobicContact CE2-CG 4.03Å; F247-I355 HydrophobicContact CB-CD1 4.39Å; F247-I355 HydrophobicContact CB-CG2 4.4Å; F247-C356 WeakPolarHBondContact CZ-SG 3.49Å; F247-L363 HydrophobicContact CE1-CD1 4.44Å; F247-L363 HydrophobicContact CE2-CB 3.86Å; F247-L363 HydrophobicContact CE2-CD1 4.14Å; F247-L363 HydrophobicContact CZ-CB 3.98Å; F247-L363 HydrophobicContact CZ-CD1 3.73Å; F247-L363 HydrophobicContact CZ-CG 4.46Å |
| 248 | Y | 91.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -70.4 | 124.7 | 169.5 | -179.1 | -110.2 | 0 | 0 | 0 | 110.3 | F242 P243 S245 C250 S261 P544 V546 L549 | F242-Y248 AromaticContact CD1-CD2 3.63Å; F242-Y248 HydrophobicContact CD1-CD2 3.63Å; F242-Y248 AromaticContact CD1-CE2 3.98Å; F242-Y248 HydrophobicContact CD1-CE2 3.98Å; F242-Y248 HydrophobicContact CD2-CD2 4.05Å; F242-Y248 AromaticContact CE1-CD2 3.48Å; F242-Y248 HydrophobicContact CE1-CD2 3.48Å; F242-Y248 VanDerWaalsContact CE1-CD2 3.48Å; F242-Y248 AromaticContact CE1-CE2 3.91Å; F242-Y248 HydrophobicContact CE1-CE2 3.91Å; F242-Y248 AromaticContact CE2-CD2 3.88Å; F242-Y248 HydrophobicContact CE2-CD2 3.88Å; F242-Y248 HydrophobicContact CE2-CG 4.44Å; F242-Y248 AromaticContact CG-CD2 3.94Å; F242-Y248 HydrophobicContact CG-CD2 3.94Å; F242-Y248 AromaticContact CZ-CD2 3.63Å; F242-Y248 HydrophobicContact CZ-CD2 3.63Å; F242-Y248 HydrophobicContact CZ-CE2 4.46Å; F242-Y248 WeakPolarHBondContact O-CB 3.3Å; P243-Y248 HydrophobicContact CB-CD1 4.38Å; P243-Y248 HydrophobicContact CB-CE1 4.25Å; S245-Y248 PolarHBondContact O-N 3.35Å; Y248-C250 HydrophobicContact CD1-CB 3.5Å; Y248-C250 HydrophobicContact CE1-CB 3.67Å; Y248-C250 PolarHBondContact O-N 3.25Å; Y248-S261 VanDerWaalsContact O-CB 3.28Å; Y248-S261 WeakPolarHBondContact O-CB 3.07Å; Y248-P544 PolarHBondContact OH-O 2.95Å; Y248-V546 HydrophobicContact CE1-CG2 3.63Å; Y248-L549 HydrophobicContact CE2-CD2 4.1Å |
| 249 | A | 88.1 | Confident | 88.3 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | trans | -75.1 | 104.2 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | F247 R260 P290 F543 | F247-A249 PolarHBondContact O-N 2.95Å; A249-R260 CarbonylContact C-O 3.49Å; A249-R260 WeakPolarHBondContact CA-O 3.2Å; A249-R260 HydrophobicContact CB-CG 4.01Å; A249-P290 HydrophobicContact CB-CG 3.81Å; A249-F543 HydrophobicContact CB-CB 4.27Å; A249-F543 HydrophobicContact CB-CD1 3.18Å; A249-F543 HydrophobicContact CB-CD2 4.21Å; A249-F543 HydrophobicContact CB-CE1 3.32Å; A249-F543 HydrophobicContact CB-CE2 4.35Å; A249-F543 HydrophobicContact CB-CG 3.63Å; A249-F543 HydrophobicContact CB-CZ 3.94Å | ||
| 250 | C | 85.1 | Confident | 88.6 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | trans | -143.7 | 107.3 | -177.3 | 167.3 | 0 | 0 | 0 | 0 | 105.3 | Y248 T252 R260 H336 | Y248-C250 HydrophobicContact CD1-CB 3.5Å; Y248-C250 HydrophobicContact CE1-CB 3.67Å; Y248-C250 PolarHBondContact O-N 3.25Å; C250-T252 PolarHBondContact O-N 3.02Å; C250-T252 PolarHBondContact O-OG1 3.36Å; C250-R260 CarbonylContact C-O 3.33Å; C250-R260 VanDerWaalsContact C-O 3.3Å; C250-R260 PolarHBondContact N-O 3.27Å; C250-H336 PolarHBondContact SG-CD2 3.5Å; C250-H336 PolarHBondContact SG-NE2 2.68Å | ||
| 251 | Y | 84.1 | Confident | 88.9 | Confident | 111 Ų | 111 | 43.7 Ų | 43.7 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | trans | -60.4 | 111.5 | -175 | -75 | -75 | 0 | 0 | 0 | 109.9 | Q258 Y259 R260 | Y251-Q258 VanDerWaalsContact CB-NE2 3.3Å; Y251-Q258 HydrophobicContact CD1-CG 3.9Å; Y251-Q258 HydrophobicContact CG-CG 4.26Å; Y251-Y259 CarbonylContact C-O 3.33Å; Y251-Y259 VanDerWaalsContact CA-O 3.24Å; Y251-Y259 WeakPolarHBondContact CA-O 2.9Å; Y251-R260 HydrophobicContact CD1-CB 4.41Å; Y251-R260 HydrophobicContact CE1-CB 4.13Å; Y251-R260 HydrophobicContact CE1-CG 4.47Å; Y251-R260 PolarHBondContact OH-NH1 3.08Å; Y251-R260 VanDerWaalsContact OH-NH1 3.08Å; Y251-R260 PolarHBondContact OH-NH2 2.67Å | ||
| 252 | T | 83 | Confident | 89 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.8 | -176.7 | -52.9 | 0 | 0 | 0 | 0 | 108.3 | C250 V254 Y259 K332 | C250-T252 PolarHBondContact O-N 3.02Å; C250-T252 PolarHBondContact O-OG1 3.36Å; T252-V254 HydrophobicContact CG2-CG2 3.9Å; T252-Y259 PolarHBondContact N-O 3.2Å; T252-Y259 PolarHBondContact O-N 2.82Å; T252-K332 HydrophobicContact CG2-CB 4.04Å |
| 253 | L | 87.1 | Confident | 89.2 | Confident | 89 Ų | 89 | 43 Ų | 43 | 47% | 0.466 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.1 | 171.2 | -168.5 | 74.5 | 0 | 0 | 0 | 109.3 | K257 Q258 Q335 | L253-K257 WeakPolarHBondContact CA-O 3.45Å; L253-Q258 HydrophobicContact CD1-CB 4.45Å; L253-Q335 PolarHBondContact O-NE2 2.99Å |
| 254 | V | 85.4 | Confident | 89.3 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 125 | 173.1 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | T252 K256 K257 Y259 Y265 V327 | T252-V254 HydrophobicContact CG2-CG2 3.9Å; V254-K256 VanDerWaalsContact C-N 3.29Å; V254-K256 PolarHBondContact O-N 3.37Å; V254-K257 PolarHBondContact N-O 2.91Å; V254-K257 PolarHBondContact O-N 2.73Å; V254-K257 VanDerWaalsContact O-O 3.09Å; V254-Y259 HydrophobicContact CB-CD2 4.24Å; V254-Y259 HydrophobicContact CB-CE2 4.19Å; V254-Y259 HydrophobicContact CG2-CD2 4.42Å; V254-Y265 HydrophobicContact CB-CD2 3.91Å; V254-Y265 HydrophobicContact CB-CE2 3.68Å; V254-Y265 HydrophobicContact CG1-CD2 4.1Å; V254-Y265 HydrophobicContact CG1-CE2 3.39Å; V254-Y265 HydrophobicContact CG2-CD2 4.01Å; V254-Y265 HydrophobicContact CG2-CE2 4.15Å; V254-Y265 HydrophobicContact CG2-CG 4.45Å; V254-V327 HydrophobicContact CG1-CG1 3.79Å |
| 255 | N | 84.2 | Confident | 89.3 | Confident | 128 Ų | 128 | 43.5 Ų | 43.5 | 68% | 0.684 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 46.7 | -179 | -61.5 | -21.8 | 0 | 0 | 0 | 113.2 | K257 | N255-K257 PolarHBondContact O-N 2.97Å; N255-K257 VanDerWaalsContact O-N 3.12Å |
| 256 | K | 81.1 | Confident | 89.2 | Confident | 198 Ų | 198 | 43.5 Ų | 43.5 | 86% | 0.861 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 8 | -177.7 | -51 | 179.5 | 179.6 | -179 | 0 | 115.4 | V254 | V254-K256 VanDerWaalsContact C-N 3.29Å; V254-K256 PolarHBondContact O-N 3.37Å |
| 257 | K | 86.8 | Confident | 89.1 | Confident | 128 Ų | 128 | 43.6 Ų | 43.6 | 56% | 0.557 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.1 | 173 | -70.1 | -175.1 | 179.7 | -178.4 | 0 | 110.1 | L253 V254 N255 Y259 | L253-K257 WeakPolarHBondContact CA-O 3.45Å; V254-K257 PolarHBondContact N-O 2.91Å; V254-K257 PolarHBondContact O-N 2.73Å; V254-K257 VanDerWaalsContact O-O 3.09Å; N255-K257 PolarHBondContact O-N 2.97Å; N255-K257 VanDerWaalsContact O-N 3.12Å; K257-Y259 HydrophobicContact CB-CD2 4.39Å; K257-Y259 HydrophobicContact CB-CE2 3.57Å; K257-Y259 WeakPolarHBondContact O-CD2 3.26Å; K257-Y259 WeakPolarHBondContact O-CE2 3.46Å |
| 258 | Q | 87.8 | Confident | 89 | Confident | 134 Ų | 134 | 43.5 Ų | 43.5 | 63% | 0.626 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.6 | -179.4 | -163.4 | -179.7 | 13.4 | 0 | 0 | 110 | Y251 L253 | Y251-Q258 VanDerWaalsContact CB-NE2 3.3Å; Y251-Q258 HydrophobicContact CD1-CG 3.9Å; Y251-Q258 HydrophobicContact CG-CG 4.26Å; L253-Q258 HydrophobicContact CD1-CB 4.45Å |
| 259 | Y | 90.5 | Very high | 89 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.8 | 179.2 | -65.3 | -94.2 | 0 | 0 | 0 | 109.7 | Y251 T252 V254 K257 S261 Y265 S268 F285 | Y251-Y259 CarbonylContact C-O 3.33Å; Y251-Y259 VanDerWaalsContact CA-O 3.24Å; Y251-Y259 WeakPolarHBondContact CA-O 2.9Å; T252-Y259 PolarHBondContact N-O 3.2Å; T252-Y259 PolarHBondContact O-N 2.82Å; V254-Y259 HydrophobicContact CB-CD2 4.24Å; V254-Y259 HydrophobicContact CB-CE2 4.19Å; V254-Y259 HydrophobicContact CG2-CD2 4.42Å; K257-Y259 HydrophobicContact CB-CD2 4.39Å; K257-Y259 HydrophobicContact CB-CE2 3.57Å; K257-Y259 WeakPolarHBondContact O-CD2 3.26Å; K257-Y259 WeakPolarHBondContact O-CE2 3.46Å; Y259-S261 PolarHBondContact O-N 3.44Å; Y259-Y265 HydrophobicContact CD1-CD2 4.09Å; Y259-Y265 AromaticContact CD2-CD2 3.68Å; Y259-Y265 HydrophobicContact CD2-CD2 3.68Å; Y259-Y265 HydrophobicContact CD2-CG 4.5Å; Y259-Y265 AromaticContact CE1-CD2 3.88Å; Y259-Y265 HydrophobicContact CE1-CD2 3.88Å; Y259-Y265 AromaticContact CE2-CD2 3.48Å; Y259-Y265 HydrophobicContact CE2-CD2 3.48Å; Y259-Y265 VanDerWaalsContact CE2-CD2 3.48Å; Y259-Y265 HydrophobicContact CE2-CE2 4.01Å; Y259-Y265 AromaticContact CG-CD2 3.99Å; Y259-Y265 HydrophobicContact CG-CD2 3.99Å; Y259-Y265 HydrophobicContact CG-CG 4.45Å; Y259-Y265 AromaticContact CZ-CD2 3.57Å; Y259-S268 WeakPolarHBondContact CE1-OG 3.38Å; Y259-F285 AromaticContact CD1-CE1 3.8Å; Y259-F285 HydrophobicContact CD1-CE1 3.8Å; Y259-F285 HydrophobicContact CD1-CZ 4.19Å; Y259-F285 AromaticContact CE1-CE1 3.93Å; Y259-F285 HydrophobicContact CE1-CE1 3.93Å; Y259-F285 AromaticContact CE1-CZ 3.85Å; Y259-F285 HydrophobicContact CE1-CZ 3.85Å |
| 260 | R | 89.4 | Confident | 89 | Confident | 68 Ų | 68 | 44.8 Ų | 44.8 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -59.8 | -31.9 | -176.9 | 178.7 | 179.1 | -61.2 | -71.9 | -7.1 | 113.7 | A249 C250 Y251 | A249-R260 CarbonylContact C-O 3.49Å; A249-R260 WeakPolarHBondContact CA-O 3.2Å; A249-R260 HydrophobicContact CB-CG 4.01Å; C250-R260 CarbonylContact C-O 3.33Å; C250-R260 VanDerWaalsContact C-O 3.3Å; C250-R260 PolarHBondContact N-O 3.27Å; Y251-R260 HydrophobicContact CD1-CB 4.41Å; Y251-R260 HydrophobicContact CE1-CB 4.13Å; Y251-R260 HydrophobicContact CE1-CG 4.47Å; Y251-R260 PolarHBondContact OH-NH1 3.08Å; Y251-R260 VanDerWaalsContact OH-NH1 3.08Å; Y251-R260 PolarHBondContact OH-NH2 2.67Å |
| 261 | S | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -154.2 | 169.6 | 174.6 | 70.6 | 0 | 0 | 0 | 0 | 110.7 | Y248 Y259 A263 H264 Y265 | Y248-S261 VanDerWaalsContact O-CB 3.28Å; Y248-S261 WeakPolarHBondContact O-CB 3.07Å; Y259-S261 PolarHBondContact O-N 3.44Å; S261-A263 VanDerWaalsContact C-N 3.27Å; S261-A263 PolarHBondContact O-N 3.22Å; S261-A263 PolarHBondContact OG-N 3.28Å; S261-H264 WeakPolarHBondContact O-CB 3.39Å; S261-H264 PolarHBondContact O-N 3.42Å; S261-H264 VanDerWaalsContact O-N 3.15Å; S261-H264 PolarHBondContact OG-N 3Å; S261-H264 VanDerWaalsContact OG-N 3.16Å; S261-H264 PolarHBondContact OG-ND1 3.43Å; S261-Y265 PolarHBondContact O-N 2.87Å; S261-Y265 VanDerWaalsContact O-N 3.14Å |
| 262 | V | 94.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.8 | -45.2 | 170.4 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | H264 Y265 A266 L325 A328 I329 K332 | V262-H264 PolarHBondContact O-N 2.9Å; V262-Y265 WeakPolarHBondContact O-CB 3.27Å; V262-Y265 PolarHBondContact O-N 3.42Å; V262-A266 PolarHBondContact O-N 2.9Å; V262-L325 HydrophobicContact CG1-CD1 3.55Å; V262-A328 HydrophobicContact CB-CB 4.27Å; V262-A328 HydrophobicContact CG1-CB 3.89Å; V262-A328 HydrophobicContact CG2-CB 4.2Å; V262-I329 HydrophobicContact CG1-CG1 3.77Å; V262-I329 HydrophobicContact CG2-CG1 4.28Å; V262-K332 HydrophobicContact CG2-CB 4.19Å; V262-K332 HydrophobicContact CG2-CD 3.65Å |
| 263 | A | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S246 F247 S261 Y265 A266 F267 L293 | S246-A263 WeakPolarHBondContact O-CB 3.43Å; S246-A263 PolarHBondContact O-N 3.4Å; F247-A263 HydrophobicContact CD1-CB 3.68Å; F247-A263 HydrophobicContact CE1-CB 3.79Å; F247-A263 HydrophobicContact CG-CB 4.43Å; S261-A263 VanDerWaalsContact C-N 3.27Å; S261-A263 PolarHBondContact O-N 3.22Å; S261-A263 PolarHBondContact OG-N 3.28Å; A263-Y265 VanDerWaalsContact C-N 3.31Å; A263-Y265 PolarHBondContact O-N 3.29Å; A263-A266 PolarHBondContact O-N 3.02Å; A263-F267 HydrophobicContact CB-CD2 4.02Å; A263-F267 HydrophobicContact CB-CE2 4.02Å; A263-F267 WeakPolarHBondContact O-CB 3.35Å; A263-F267 WeakPolarHBondContact O-CD2 3.43Å; A263-F267 PolarHBondContact O-N 2.85Å; A263-L293 HydrophobicContact CB-CD1 3.79Å |
| 264 | H | 94 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 176 | -78 | 84.8 | 0 | 0 | 0 | 111.9 | S261 V262 S268 L284 V287 | S261-H264 WeakPolarHBondContact O-CB 3.39Å; S261-H264 PolarHBondContact O-N 3.42Å; S261-H264 VanDerWaalsContact O-N 3.15Å; S261-H264 PolarHBondContact OG-N 3Å; S261-H264 VanDerWaalsContact OG-N 3.16Å; S261-H264 PolarHBondContact OG-ND1 3.43Å; V262-H264 PolarHBondContact O-N 2.9Å; H264-S268 WeakPolarHBondContact O-CB 3.43Å; H264-S268 PolarHBondContact O-N 2.8Å; H264-S268 PolarHBondContact O-OG 3.07Å; H264-S268 VanDerWaalsContact O-OG 3.13Å; H264-L284 HydrophobicContact CB-CD2 4.47Å; H264-V287 PolarHBondContact NE2-O 2.87Å |
| 265 | Y | 94.6 | Very high | 89 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -58 | 175.7 | 174.4 | -95.1 | 0 | 0 | 0 | 111.3 | V254 Y259 S261 V262 A263 F267 S268 N269 W324 A328 | V254-Y265 HydrophobicContact CB-CD2 3.91Å; V254-Y265 HydrophobicContact CB-CE2 3.68Å; V254-Y265 HydrophobicContact CG1-CD2 4.1Å; V254-Y265 HydrophobicContact CG1-CE2 3.39Å; V254-Y265 HydrophobicContact CG2-CD2 4.01Å; V254-Y265 HydrophobicContact CG2-CE2 4.15Å; V254-Y265 HydrophobicContact CG2-CG 4.45Å; Y259-Y265 HydrophobicContact CD1-CD2 4.09Å; Y259-Y265 AromaticContact CD2-CD2 3.68Å; Y259-Y265 HydrophobicContact CD2-CD2 3.68Å; Y259-Y265 HydrophobicContact CD2-CG 4.5Å; Y259-Y265 AromaticContact CE1-CD2 3.88Å; Y259-Y265 HydrophobicContact CE1-CD2 3.88Å; Y259-Y265 AromaticContact CE2-CD2 3.48Å; Y259-Y265 HydrophobicContact CE2-CD2 3.48Å; Y259-Y265 VanDerWaalsContact CE2-CD2 3.48Å; Y259-Y265 HydrophobicContact CE2-CE2 4.01Å; Y259-Y265 AromaticContact CG-CD2 3.99Å; Y259-Y265 HydrophobicContact CG-CD2 3.99Å; Y259-Y265 HydrophobicContact CG-CG 4.45Å; Y259-Y265 AromaticContact CZ-CD2 3.57Å; S261-Y265 PolarHBondContact O-N 2.87Å; S261-Y265 VanDerWaalsContact O-N 3.14Å; V262-Y265 WeakPolarHBondContact O-CB 3.27Å; V262-Y265 PolarHBondContact O-N 3.42Å; A263-Y265 VanDerWaalsContact C-N 3.31Å; A263-Y265 PolarHBondContact O-N 3.29Å; Y265-F267 PolarHBondContact O-N 3.13Å; Y265-S268 PolarHBondContact O-N 3.35Å; Y265-S268 PolarHBondContact O-OG 3.42Å; Y265-N269 VanDerWaalsContact CE1-ND2 3.28Å; Y265-N269 WeakPolarHBondContact CE1-ND2 3.22Å; Y265-N269 WeakPolarHBondContact CE2-ND2 3.23Å; Y265-N269 PolarHBondContact O-N 3.36Å; Y265-N269 VanDerWaalsContact O-N 3.1Å; Y265-N269 PolarHBondContact OH-ND2 3.13Å; Y265-W324 HydrophobicContact CD1-CB 4.25Å; Y265-W324 WeakPolarHBondContact CD1-O 3.45Å; Y265-W324 HydrophobicContact CE1-CB 3.75Å; Y265-W324 HydrophobicContact CE1-CG 4.41Å; Y265-W324 WeakPolarHBondContact CE1-O 3.33Å; Y265-A328 HydrophobicContact CD1-CB 3.47Å; Y265-A328 VanDerWaalsContact CD1-CB 3.47Å; Y265-A328 HydrophobicContact CE1-CB 4.11Å; Y265-A328 HydrophobicContact CG-CB 3.94Å |
| 266 | A | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V262 A263 S268 N269 W270 F321 | V262-A266 PolarHBondContact O-N 2.9Å; A263-A266 PolarHBondContact O-N 3.02Å; A266-S268 PolarHBondContact O-N 3.08Å; A266-N269 PolarHBondContact O-N 3.26Å; A266-W270 PolarHBondContact O-N 3.16Å; A266-F321 HydrophobicContact CB-CE1 3.9Å; A266-F321 HydrophobicContact CB-CE2 4.14Å; A266-F321 HydrophobicContact CB-CZ 3.59Å |
| 267 | F | 91.9 | Very high | 88.9 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -33.7 | 177.8 | -69.5 | -56.3 | 0 | 0 | 0 | 113 | F247 A263 Y265 N269 W270 V271 L284 L293 L297 L313 F321 L363 | F247-F267 HydrophobicContact CE1-CE2 4.02Å; F247-F267 HydrophobicContact CZ-CE2 4.38Å; A263-F267 HydrophobicContact CB-CD2 4.02Å; A263-F267 HydrophobicContact CB-CE2 4.02Å; A263-F267 WeakPolarHBondContact O-CB 3.35Å; A263-F267 WeakPolarHBondContact O-CD2 3.43Å; A263-F267 PolarHBondContact O-N 2.85Å; Y265-F267 PolarHBondContact O-N 3.13Å; F267-N269 VanDerWaalsContact C-N 3.31Å; F267-N269 PolarHBondContact O-N 3.03Å; F267-W270 AromaticContact CD1-CE3 3.98Å; F267-W270 HydrophobicContact CD1-CE3 3.98Å; F267-W270 HydrophobicContact CD1-CZ3 4.46Å; F267-W270 WeakPolarHBondContact O-CB 3.42Å; F267-W270 PolarHBondContact O-N 3.11Å; F267-V271 VanDerWaalsContact O-CG2 3.32Å; F267-V271 WeakPolarHBondContact O-CG2 3.4Å; F267-V271 PolarHBondContact O-N 2.97Å; F267-L284 HydrophobicContact CB-CD1 3.89Å; F267-L293 HydrophobicContact CD2-CB 4.12Å; F267-L293 HydrophobicContact CD2-CD1 4.1Å; F267-L293 HydrophobicContact CE2-CB 4.22Å; F267-L297 HydrophobicContact CB-CD1 3.69Å; F267-L297 HydrophobicContact CD1-CD1 3.3Å; F267-L297 HydrophobicContact CD2-CD1 3.75Å; F267-L297 HydrophobicContact CE1-CD1 3.74Å; F267-L297 HydrophobicContact CE2-CD1 4.14Å; F267-L297 HydrophobicContact CG-CD1 3.31Å; F267-L297 HydrophobicContact CZ-CD1 4.14Å; F267-L313 HydrophobicContact CE1-CD1 4.34Å; F267-F321 AromaticContact CD1-CE2 3.65Å; F267-F321 HydrophobicContact CD1-CE2 3.65Å; F267-F321 AromaticContact CD1-CZ 3.89Å; F267-F321 HydrophobicContact CD1-CZ 3.89Å; F267-F321 AromaticContact CE1-CE2 3.9Å; F267-F321 HydrophobicContact CE1-CE2 3.9Å; F267-F321 AromaticContact CE1-CZ 3.83Å; F267-F321 HydrophobicContact CE1-CZ 3.83Å; F267-F321 HydrophobicContact CG-CE2 4.46Å; F267-F321 HydrophobicContact CZ-CZ 4.41Å; F267-L363 HydrophobicContact CE2-CD1 3.94Å; F267-L363 HydrophobicContact CZ-CD1 3.79Å |
| 268 | S | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -34.8 | 175.8 | 76.5 | 0 | 0 | 0 | 0 | 112.6 | Y259 H264 Y265 A266 R272 | Y259-S268 WeakPolarHBondContact CE1-OG 3.38Å; H264-S268 WeakPolarHBondContact O-CB 3.43Å; H264-S268 PolarHBondContact O-N 2.8Å; H264-S268 PolarHBondContact O-OG 3.07Å; H264-S268 VanDerWaalsContact O-OG 3.13Å; Y265-S268 PolarHBondContact O-N 3.35Å; Y265-S268 PolarHBondContact O-OG 3.42Å; A266-S268 PolarHBondContact O-N 3.08Å; S268-R272 VanDerWaalsContact C-NH1 3.35Å; S268-R272 WeakPolarHBondContact O-CG 3.4Å; S268-R272 PolarHBondContact O-N 3.17Å; S268-R272 VanDerWaalsContact O-N 3.09Å; S268-R272 PolarHBondContact O-NH1 3.2Å; S268-R272 PolarHBondContact OG-NH1 3.04Å |
| 269 | N | 91.2 | Very high | 88.6 | Confident | 23 Ų | 23 | 40.4 Ų | 40.4 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.1 | -35.4 | 174.1 | -71.4 | -29.2 | 0 | 0 | 0 | 111.6 | Y265 A266 F267 R272 S273 W324 | Y265-N269 VanDerWaalsContact CE1-ND2 3.28Å; Y265-N269 WeakPolarHBondContact CE1-ND2 3.22Å; Y265-N269 WeakPolarHBondContact CE2-ND2 3.23Å; Y265-N269 PolarHBondContact O-N 3.36Å; Y265-N269 VanDerWaalsContact O-N 3.1Å; Y265-N269 PolarHBondContact OH-ND2 3.13Å; A266-N269 PolarHBondContact O-N 3.26Å; F267-N269 VanDerWaalsContact C-N 3.31Å; F267-N269 PolarHBondContact O-N 3.03Å; N269-R272 PolarHBondContact O-N 2.96Å; N269-R272 PolarHBondContact OD1-NH1 2.82Å; N269-R272 VanDerWaalsContact OD1-NH1 3.1Å; N269-S273 WeakPolarHBondContact O-CB 3.07Å; N269-S273 PolarHBondContact O-N 2.83Å; N269-W324 HydrophobicContact CB-CD2 3.38Å; N269-W324 HydrophobicContact CB-CE3 3.5Å; N269-W324 HydrophobicContact CB-CG 3.88Å; N269-W324 HydrophobicContact CB-CH2 4.22Å; N269-W324 HydrophobicContact CB-CZ2 4.06Å; N269-W324 HydrophobicContact CB-CZ3 3.96Å |
| 270 | W | 88.2 | Confident | 88.4 | Confident | 15 Ų | 15 | 41.8 Ų | 41.8 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -51.2 | 170.7 | -179 | 55 | 0 | 0 | 0 | 111.5 | A266 F267 R272 S273 W274 L297 V301 R311 L313 F321 W324 | A266-W270 PolarHBondContact O-N 3.16Å; F267-W270 AromaticContact CD1-CE3 3.98Å; F267-W270 HydrophobicContact CD1-CE3 3.98Å; F267-W270 HydrophobicContact CD1-CZ3 4.46Å; F267-W270 WeakPolarHBondContact O-CB 3.42Å; F267-W270 PolarHBondContact O-N 3.11Å; W270-R272 VanDerWaalsContact C-N 3.29Å; W270-R272 PolarHBondContact O-N 3.1Å; W270-S273 WeakPolarHBondContact O-CB 3.41Å; W270-S273 PolarHBondContact O-N 2.93Å; W270-S273 PolarHBondContact O-OG 2.87Å; W270-W274 AromaticContact CD2-NE1 3.76Å; W270-W274 AromaticContact CE2-NE1 3.82Å; W270-W274 PolarHBondContact O-NE1 3.2Å; W270-W274 VanDerWaalsContact O-NE1 3.14Å; W270-L297 HydrophobicContact CE3-CD1 4.41Å; W270-L297 HydrophobicContact CE3-CD2 4.3Å; W270-L297 HydrophobicContact CZ3-CB 4.22Å; W270-L297 HydrophobicContact CZ3-CD1 4.12Å; W270-L297 HydrophobicContact CZ3-CD2 4Å; W270-L297 HydrophobicContact CZ3-CG 4.34Å; W270-V301 HydrophobicContact CH2-CG2 4.2Å; W270-R311 WeakPolarHBondContact CZ2-O 3.44Å; W270-L313 HydrophobicContact CD2-CD2 4.09Å; W270-L313 HydrophobicContact CD2-CG 4.38Å; W270-L313 HydrophobicContact CG-CD2 4.08Å; W270-L313 HydrophobicContact CH2-CD1 4.4Å; W270-L313 HydrophobicContact CH2-CG 4.33Å; W270-L313 HydrophobicContact CZ2-CD1 4.17Å; W270-L313 HydrophobicContact CZ2-CD2 4.11Å; W270-L313 HydrophobicContact CZ2-CG 3.64Å; W270-F321 HydrophobicContact CB-CD2 3.87Å; W270-F321 HydrophobicContact CB-CE2 3.99Å; W270-F321 HydrophobicContact CG-CD2 4.11Å; W270-F321 HydrophobicContact CG-CE2 4.37Å; W270-W324 VanDerWaalsContact CA-CZ3 3.5Å; W270-W324 HydrophobicContact CB-CZ3 4.03Å; W270-W324 VanDerWaalsContact N-CZ3 3.33Å |
| 271 | V | 88.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.5 | -42.8 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | F267 S273 W274 G276 Q280 I281 L284 L297 M300 | F267-V271 VanDerWaalsContact O-CG2 3.32Å; F267-V271 WeakPolarHBondContact O-CG2 3.4Å; F267-V271 PolarHBondContact O-N 2.97Å; V271-S273 VanDerWaalsContact C-N 3.3Å; V271-S273 PolarHBondContact O-N 3.19Å; V271-W274 HydrophobicContact CB-CZ2 4.12Å; V271-W274 HydrophobicContact CG1-CH2 4.25Å; V271-W274 HydrophobicContact CG1-CZ2 4.02Å; V271-W274 HydrophobicContact CG2-CZ2 3.81Å; V271-G276 WeakPolarHBondContact O-CA 3.45Å; V271-G276 PolarHBondContact O-N 3.33Å; V271-Q280 HydrophobicContact CG1-CB 4.25Å; V271-I281 HydrophobicContact CB-CG1 4.43Å; V271-I281 HydrophobicContact CG1-CG1 3.75Å; V271-L284 HydrophobicContact CG2-CD1 3.81Å; V271-L297 HydrophobicContact CG2-CD2 3.84Å; V271-M300 HydrophobicContact CG2-SD 4.43Å |
| 272 | R | 88.2 | Confident | 87.9 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 31% | 0.306 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.8 | -33.9 | 175.3 | -73.7 | 176.4 | -168 | 98.5 | 13.4 | 113.1 | S268 N269 W270 W274 Q275 I281 | S268-R272 VanDerWaalsContact C-NH1 3.35Å; S268-R272 WeakPolarHBondContact O-CG 3.4Å; S268-R272 PolarHBondContact O-N 3.17Å; S268-R272 VanDerWaalsContact O-N 3.09Å; S268-R272 PolarHBondContact O-NH1 3.2Å; S268-R272 PolarHBondContact OG-NH1 3.04Å; N269-R272 PolarHBondContact O-N 2.96Å; N269-R272 PolarHBondContact OD1-NH1 2.82Å; N269-R272 VanDerWaalsContact OD1-NH1 3.1Å; W270-R272 VanDerWaalsContact C-N 3.29Å; W270-R272 PolarHBondContact O-N 3.1Å; R272-W274 VanDerWaalsContact C-N 3.3Å; R272-W274 PolarHBondContact O-N 3.2Å; R272-Q275 PolarHBondContact O-N 3.04Å; R272-I281 HydrophobicContact CG-CD1 3.45Å; R272-I281 VanDerWaalsContact CG-CD1 3.45Å; R272-I281 HydrophobicContact CG-CG1 4.35Å; R272-I281 VanDerWaalsContact NH2-CG2 3.33Å |
| 273 | S | 84.5 | Confident | 87.6 | Confident | 38 Ų | 38 | 47 Ų | 47 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.8 | -27.3 | -174.1 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | N269 W270 V271 | N269-S273 WeakPolarHBondContact O-CB 3.07Å; N269-S273 PolarHBondContact O-N 2.83Å; W270-S273 WeakPolarHBondContact O-CB 3.41Å; W270-S273 PolarHBondContact O-N 2.93Å; W270-S273 PolarHBondContact O-OG 2.87Å; V271-S273 VanDerWaalsContact C-N 3.3Å; V271-S273 PolarHBondContact O-N 3.19Å |
| 274 | W | 81.1 | Confident | 87.3 | Confident | 15 Ų | 15 | 47 Ų | 47 | 6% | 0.057 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 27.6 | 170.9 | 50.6 | -93.9 | 0 | 0 | 0 | 112.2 | W270 V271 R272 G276 M300 V301 R311 | W270-W274 AromaticContact CD2-NE1 3.76Å; W270-W274 AromaticContact CE2-NE1 3.82Å; W270-W274 PolarHBondContact O-NE1 3.2Å; W270-W274 VanDerWaalsContact O-NE1 3.14Å; V271-W274 HydrophobicContact CB-CZ2 4.12Å; V271-W274 HydrophobicContact CG1-CH2 4.25Å; V271-W274 HydrophobicContact CG1-CZ2 4.02Å; V271-W274 HydrophobicContact CG2-CZ2 3.81Å; R272-W274 VanDerWaalsContact C-N 3.3Å; R272-W274 PolarHBondContact O-N 3.2Å; W274-G276 VanDerWaalsContact C-N 3.26Å; W274-G276 PolarHBondContact O-N 3.38Å; W274-M300 HydrophobicContact CH2-CG 4.44Å; W274-M300 HydrophobicContact CH2-SD 4Å; W274-M300 HydrophobicContact CZ2-SD 4.41Å; W274-V301 HydrophobicContact CZ2-CG2 4.32Å; W274-R311 HydrophobicContact CB-CG 4.18Å; W274-R311 HydrophobicContact CD2-CG 3.93Å; W274-R311 HydrophobicContact CE3-CG 4.1Å; W274-R311 HydrophobicContact CG-CG 4Å |
| 275 | Q | 81.5 | Confident | 87 | Confident | 179 Ų | 179 | 50.7 Ų | 50.7 | 84% | 0.836 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 32.3 | 176.2 | -53.5 | -178.6 | 3.3 | 0 | 0 | 114.3 | R272 T277 | R272-Q275 PolarHBondContact O-N 3.04Å; Q275-T277 PolarHBondContact O-N 3.42Å |
| 276 | G | 80.3 | Confident | 86.6 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | trans | -54.5 | 139.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V271 W274 | V271-G276 WeakPolarHBondContact O-CA 3.45Å; V271-G276 PolarHBondContact O-N 3.33Å; W274-G276 VanDerWaalsContact C-N 3.26Å; W274-G276 PolarHBondContact O-N 3.38Å | ||
| 277 | T | 83.7 | Confident | 86.3 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | trans | -61.6 | 155 | -177.3 | 64 | 0 | 0 | 0 | 0 | 111.9 | Q275 R279 Q280 I281 | Q275-T277 PolarHBondContact O-N 3.42Å; T277-R279 PolarHBondContact O-N 3.11Å; T277-Q280 WeakPolarHBondContact O-CB 3.42Å; T277-Q280 PolarHBondContact O-N 2.82Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.37Å; T277-Q280 VanDerWaalsContact OG1-CG 3.29Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.44Å; T277-Q280 PolarHBondContact OG1-N 3.11Å; T277-Q280 VanDerWaalsContact OG1-N 3.15Å; T277-Q280 PolarHBondContact OG1-OE1 3.21Å; T277-Q280 VanDerWaalsContact OG1-OE1 3.04Å; T277-I281 PolarHBondContact O-N 3.22Å | ||
| 278 | V | 83 | Confident | 85.8 | Confident | 103 Ų | 103 | 54.5 Ų | 54.5 | 62% | 0.624 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -54.8 | -36.4 | 173.5 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | I281 Q282 | V278-I281 PolarHBondContact O-N 3.41Å; V278-Q282 HydrophobicContact CG1-CG 4.29Å; V278-Q282 WeakPolarHBondContact O-CB 3.06Å; V278-Q282 VanDerWaalsContact O-CG 3.28Å; V278-Q282 WeakPolarHBondContact O-CG 3.05Å; V278-Q282 PolarHBondContact O-N 2.71Å |
| 279 | R | 85.8 | Confident | 85.4 | Confident | 207 Ų | 207 | 57.3 Ų | 57.3 | 78% | 0.781 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.8 | -41.7 | 175.9 | -68.4 | -176.7 | -177.6 | 169.6 | 0.8 | 112.6 | T277 I281 Q282 S283 | T277-R279 PolarHBondContact O-N 3.11Å; R279-I281 VanDerWaalsContact C-N 3.35Å; R279-Q282 PolarHBondContact O-N 2.83Å; R279-S283 WeakPolarHBondContact O-CB 3.25Å; R279-S283 PolarHBondContact O-N 2.66Å; R279-S283 PolarHBondContact O-OG 2.95Å |
| 280 | Q | 85.4 | Confident | 85.4 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 20% | 0.201 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.2 | -77.6 | 166.6 | -44.2 | 0 | 0 | 112.1 | V271 T277 S283 L284 M300 | V271-Q280 HydrophobicContact CG1-CB 4.25Å; T277-Q280 WeakPolarHBondContact O-CB 3.42Å; T277-Q280 PolarHBondContact O-N 2.82Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.37Å; T277-Q280 VanDerWaalsContact OG1-CG 3.29Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.44Å; T277-Q280 PolarHBondContact OG1-N 3.11Å; T277-Q280 VanDerWaalsContact OG1-N 3.15Å; T277-Q280 PolarHBondContact OG1-OE1 3.21Å; T277-Q280 VanDerWaalsContact OG1-OE1 3.04Å; Q280-S283 WeakPolarHBondContact CA-OG 3.37Å; Q280-S283 PolarHBondContact O-OG 3.1Å; Q280-L284 PolarHBondContact O-N 3.08Å; Q280-L284 VanDerWaalsContact O-N 3.08Å; Q280-M300 HydrophobicContact CB-CE 4.1Å; Q280-M300 HydrophobicContact CB-SD 3.74Å; Q280-M300 HydrophobicContact CG-CE 4.36Å; Q280-M300 HydrophobicContact CG-CG 4.13Å; Q280-M300 HydrophobicContact CG-SD 3.8Å; Q280-M300 WeakPolarHBondContact O-CE 3.35Å |
| 281 | I | 85.1 | Confident | 85.4 | Confident | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.108 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 176.1 | -64.9 | 167.9 | 0 | 0 | 0 | 110.8 | V271 R272 T277 V278 R279 S283 L284 F285 | V271-I281 HydrophobicContact CB-CG1 4.43Å; V271-I281 HydrophobicContact CG1-CG1 3.75Å; R272-I281 HydrophobicContact CG-CD1 3.45Å; R272-I281 VanDerWaalsContact CG-CD1 3.45Å; R272-I281 HydrophobicContact CG-CG1 4.35Å; R272-I281 VanDerWaalsContact NH2-CG2 3.33Å; T277-I281 PolarHBondContact O-N 3.22Å; V278-I281 PolarHBondContact O-N 3.41Å; R279-I281 VanDerWaalsContact C-N 3.35Å; I281-S283 VanDerWaalsContact C-N 3.35Å; I281-L284 WeakPolarHBondContact O-CB 3.2Å; I281-L284 PolarHBondContact O-N 2.91Å; I281-F285 HydrophobicContact CG2-CD2 4.09Å; I281-F285 HydrophobicContact CG2-CE2 3.5Å; I281-F285 VanDerWaalsContact CG2-CE2 3.5Å; I281-F285 HydrophobicContact CG2-CZ 4.08Å; I281-F285 VanDerWaalsContact O-CD2 3.28Å; I281-F285 WeakPolarHBondContact O-CD2 3.36Å; I281-F285 PolarHBondContact O-N 2.6Å |
| 282 | Q | 86.8 | Confident | 85.4 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 56% | 0.561 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 176 | -76.2 | 173 | -20.6 | 0 | 0 | 111.8 | V278 R279 L284 F285 S286 | V278-Q282 HydrophobicContact CG1-CG 4.29Å; V278-Q282 WeakPolarHBondContact O-CB 3.06Å; V278-Q282 VanDerWaalsContact O-CG 3.28Å; V278-Q282 WeakPolarHBondContact O-CG 3.05Å; V278-Q282 PolarHBondContact O-N 2.71Å; R279-Q282 PolarHBondContact O-N 2.83Å; Q282-L284 VanDerWaalsContact C-N 3.33Å; Q282-L284 PolarHBondContact O-N 3.41Å; Q282-F285 PolarHBondContact O-N 2.78Å; Q282-S286 PolarHBondContact O-N 2.77Å |
| 283 | S | 88 | Confident | 85.5 | Confident | 37 Ų | 37 | 56 Ų | 56 | 26% | 0.259 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67 | -35.4 | 177.9 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | R279 Q280 I281 F285 S286 V287 F296 | R279-S283 WeakPolarHBondContact O-CB 3.25Å; R279-S283 PolarHBondContact O-N 2.66Å; R279-S283 PolarHBondContact O-OG 2.95Å; Q280-S283 WeakPolarHBondContact CA-OG 3.37Å; Q280-S283 PolarHBondContact O-OG 3.1Å; I281-S283 VanDerWaalsContact C-N 3.35Å; S283-F285 PolarHBondContact O-N 2.71Å; S283-S286 WeakPolarHBondContact O-CA 3.36Å; S283-S286 WeakPolarHBondContact O-CB 3.34Å; S283-S286 PolarHBondContact O-N 2.93Å; S283-S286 PolarHBondContact O-OG 3.48Å; S283-V287 PolarHBondContact O-N 2.95Å; S283-F296 WeakPolarHBondContact OG-CZ 3.19Å |
| 284 | L | 88 | Confident | 85.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 170 | -172.5 | 155.4 | 0 | 0 | 0 | 111.9 | H264 F267 V271 Q280 I281 Q282 S286 V287 L293 F296 L297 | H264-L284 HydrophobicContact CB-CD2 4.47Å; F267-L284 HydrophobicContact CB-CD1 3.89Å; V271-L284 HydrophobicContact CG2-CD1 3.81Å; Q280-L284 PolarHBondContact O-N 3.08Å; Q280-L284 VanDerWaalsContact O-N 3.08Å; I281-L284 WeakPolarHBondContact O-CB 3.2Å; I281-L284 PolarHBondContact O-N 2.91Å; Q282-L284 VanDerWaalsContact C-N 3.33Å; Q282-L284 PolarHBondContact O-N 3.41Å; L284-S286 PolarHBondContact O-N 3.42Å; L284-V287 WeakPolarHBondContact O-CB 3.25Å; L284-V287 PolarHBondContact O-N 3.44Å; L284-L293 HydrophobicContact CD2-CD2 4.14Å; L284-L293 HydrophobicContact CG-CD2 3.96Å; L284-F296 HydrophobicContact CB-CE1 4.37Å; L284-L297 HydrophobicContact CD1-CD2 3.93Å |
| 285 | F | 87.7 | Confident | 85.8 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.8 | -16.6 | 175.8 | -62.9 | -42.1 | 0 | 0 | 0 | 113.9 | Y259 I281 Q282 S283 V287 | Y259-F285 AromaticContact CD1-CE1 3.8Å; Y259-F285 HydrophobicContact CD1-CE1 3.8Å; Y259-F285 HydrophobicContact CD1-CZ 4.19Å; Y259-F285 AromaticContact CE1-CE1 3.93Å; Y259-F285 HydrophobicContact CE1-CE1 3.93Å; Y259-F285 AromaticContact CE1-CZ 3.85Å; Y259-F285 HydrophobicContact CE1-CZ 3.85Å; I281-F285 HydrophobicContact CG2-CD2 4.09Å; I281-F285 HydrophobicContact CG2-CE2 3.5Å; I281-F285 VanDerWaalsContact CG2-CE2 3.5Å; I281-F285 HydrophobicContact CG2-CZ 4.08Å; I281-F285 VanDerWaalsContact O-CD2 3.28Å; I281-F285 WeakPolarHBondContact O-CD2 3.36Å; I281-F285 PolarHBondContact O-N 2.6Å; Q282-F285 PolarHBondContact O-N 2.78Å; S283-F285 PolarHBondContact O-N 2.71Å; F285-V287 VanDerWaalsContact C-N 3.32Å |
| 286 | S | 85.2 | Confident | 86 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 38% | 0.378 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.9 | 174.3 | 86.5 | 0 | 0 | 0 | 0 | 113.5 | R85 Q282 S283 L284 G288 | R85-S286 PolarHBondContact NH1-O 2.88Å; R85-S286 PolarHBondContact NH2-O 3.35Å; Q282-S286 PolarHBondContact O-N 2.77Å; S283-S286 WeakPolarHBondContact O-CA 3.36Å; S283-S286 WeakPolarHBondContact O-CB 3.34Å; S283-S286 PolarHBondContact O-N 2.93Å; S283-S286 PolarHBondContact O-OG 3.48Å; L284-S286 PolarHBondContact O-N 3.42Å; S286-G288 PolarHBondContact O-N 3.35Å |
| 287 | V | 86.9 | Confident | 86.2 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | trans | -72.1 | 115 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | H264 S283 L284 F285 E289 M292 L293 F296 | H264-V287 PolarHBondContact NE2-O 2.87Å; S283-V287 PolarHBondContact O-N 2.95Å; L284-V287 WeakPolarHBondContact O-CB 3.25Å; L284-V287 PolarHBondContact O-N 3.44Å; F285-V287 VanDerWaalsContact C-N 3.32Å; V287-E289 WeakPolarHBondContact CG1-O 3.31Å; V287-M292 HydrophobicContact CG1-CB 4.09Å; V287-L293 HydrophobicContact CB-CD2 3.81Å; V287-L293 HydrophobicContact CG1-CD2 4Å; V287-L293 HydrophobicContact CG1-CG 4.19Å; V287-L293 HydrophobicContact CG2-CD2 4Å; V287-F296 HydrophobicContact CG2-CB 4.17Å; V287-F296 HydrophobicContact CG2-CD1 3.62Å; V287-F296 HydrophobicContact CG2-CD2 4.18Å; V287-F296 HydrophobicContact CG2-CE1 4.01Å; V287-F296 HydrophobicContact CG2-CG 3.7Å; V287-F296 HydrophobicContact CG2-CZ 4.48Å | ||
| 288 | G | 80.9 | Confident | 86 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -72.5 | -48.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | S286 | S286-G288 PolarHBondContact O-N 3.35Š|
| 289 | E | 84.8 | Confident | 86 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -95.1 | 116.1 | 178 | -178.9 | 169.7 | -173.2 | 0 | 0 | 110 | V287 A291 M292 | V287-E289 WeakPolarHBondContact CG1-O 3.31Å; E289-A291 HydrophobicContact CG-CB 3.97Å; E289-A291 PolarHBondContact O-N 2.93Å; E289-A291 VanDerWaalsContact O-N 3.16Å; E289-M292 HydrophobicContact CB-CG 4.05Å; E289-M292 HydrophobicContact CG-CG 4.27Å; E289-M292 WeakPolarHBondContact O-CB 3.25Å; E289-M292 PolarHBondContact O-N 3.16Å |
| 290 | P | 89.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -60 | -28.9 | -177.5 | -20.5 | 29.4 | 0 | 0 | 0 | 113.8 | F247 A249 M292 L293 | F247-P290 HydrophobicContact CB-CB 4.32Å; F247-P290 HydrophobicContact CD1-CB 4.41Å; F247-P290 VanDerWaalsContact CD1-O 3.3Å; F247-P290 WeakPolarHBondContact CD1-O 3.4Å; F247-P290 VanDerWaalsContact O-CB 3.27Å; F247-P290 WeakPolarHBondContact O-CB 3.35Å; F247-P290 WeakPolarHBondContact O-CG 3.45Å; A249-P290 HydrophobicContact CB-CG 3.81Å; P290-M292 PolarHBondContact O-N 3.41Å; P290-M292 VanDerWaalsContact O-N 3.14Å; P290-L293 HydrophobicContact CB-CD1 4.15Å; P290-L293 VanDerWaalsContact O-CB 3.23Å; P290-L293 WeakPolarHBondContact O-CB 3.42Å; P290-L293 WeakPolarHBondContact O-CD1 3.44Å; P290-L293 VanDerWaalsContact O-CG 3.24Å; P290-L293 WeakPolarHBondContact O-CG 3.33Å; P290-L293 PolarHBondContact O-N 3.31Å |
| 291 | A | 87.9 | Confident | 85.1 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -60.1 | -21.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E289 P294 I355 C356 | E289-A291 HydrophobicContact CG-CB 3.97Å; E289-A291 PolarHBondContact O-N 2.93Å; E289-A291 VanDerWaalsContact O-N 3.16Å; A291-P294 VanDerWaalsContact O-CD 3.31Å; A291-P294 WeakPolarHBondContact O-CD 3.41Å; A291-I355 HydrophobicContact CB-CG2 3.57Å; A291-C356 PolarHBondContact O-SG 2.91Å; A291-C356 VanDerWaalsContact O-SG 3.39Å |
| 292 | M | 89.2 | Confident | 84.4 | Confident | 80 Ų | 80 | 43 Ų | 43 | 39% | 0.394 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -86.2 | -8.6 | 177.8 | -59.9 | -60.7 | -67.3 | 0 | 0 | 113.1 | V287 E289 P290 P294 Q295 F296 | V287-M292 HydrophobicContact CG1-CB 4.09Å; E289-M292 HydrophobicContact CB-CG 4.05Å; E289-M292 HydrophobicContact CG-CG 4.27Å; E289-M292 WeakPolarHBondContact O-CB 3.25Å; E289-M292 PolarHBondContact O-N 3.16Å; P290-M292 PolarHBondContact O-N 3.41Å; P290-M292 VanDerWaalsContact O-N 3.14Å; M292-P294 VanDerWaalsContact C-CD 3.5Å; M292-Q295 PolarHBondContact O-N 3.38Å; M292-F296 WeakPolarHBondContact O-CB 3.33Å; M292-F296 PolarHBondContact O-N 3.42Å |
| 293 | L | 90.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.3 | -44.4 | 179.4 | -72.9 | 167.7 | 0 | 0 | 0 | 113 | A263 F267 L284 V287 P290 Q295 F296 L297 | A263-L293 HydrophobicContact CB-CD1 3.79Å; F267-L293 HydrophobicContact CD2-CB 4.12Å; F267-L293 HydrophobicContact CD2-CD1 4.1Å; F267-L293 HydrophobicContact CE2-CB 4.22Å; L284-L293 HydrophobicContact CD2-CD2 4.14Å; L284-L293 HydrophobicContact CG-CD2 3.96Å; V287-L293 HydrophobicContact CB-CD2 3.81Å; V287-L293 HydrophobicContact CG1-CD2 4Å; V287-L293 HydrophobicContact CG1-CG 4.19Å; V287-L293 HydrophobicContact CG2-CD2 4Å; P290-L293 HydrophobicContact CB-CD1 4.15Å; P290-L293 VanDerWaalsContact O-CB 3.23Å; P290-L293 WeakPolarHBondContact O-CB 3.42Å; P290-L293 WeakPolarHBondContact O-CD1 3.44Å; P290-L293 VanDerWaalsContact O-CG 3.24Å; P290-L293 WeakPolarHBondContact O-CG 3.33Å; P290-L293 PolarHBondContact O-N 3.31Å; L293-Q295 PolarHBondContact O-N 2.89Å; L293-F296 PolarHBondContact O-N 2.94Å; L293-L297 VanDerWaalsContact O-CB 3.3Å; L293-L297 WeakPolarHBondContact O-CB 3.09Å; L293-L297 WeakPolarHBondContact O-CD1 3.43Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 2.82Å |
| 294 | P | 87.1 | Confident | 81.6 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.071 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 179.6 | -25.1 | 37.3 | 0 | 0 | 0 | 112.8 | F247 A291 M292 F296 L297 A298 C356 S359 D360 | F247-P294 HydrophobicContact CE1-CG 3.9Å; F247-P294 HydrophobicContact CZ-CG 4.05Å; A291-P294 VanDerWaalsContact O-CD 3.31Å; A291-P294 WeakPolarHBondContact O-CD 3.41Å; M292-P294 VanDerWaalsContact C-CD 3.5Å; P294-F296 PolarHBondContact O-N 3.34Å; P294-L297 PolarHBondContact O-N 3.29Å; P294-A298 WeakPolarHBondContact O-CB 3.1Å; P294-A298 PolarHBondContact O-N 3.43Å; P294-C356 HydrophobicContact CG-CB 4.45Å; P294-S359 VanDerWaalsContact CB-O 3.22Å; P294-S359 WeakPolarHBondContact CB-O 3.41Å; P294-D360 HydrophobicContact CB-CB 3.85Å; P294-D360 HydrophobicContact CG-CB 3.76Å |
| 295 | Q | 84.2 | Confident | 80.2 | Confident | 98 Ų | 98 | 47.6 Ų | 47.6 | 46% | 0.458 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 176.7 | -62 | -177.4 | 2.4 | 0 | 0 | 111.8 | M292 L293 A298 K299 S359 | M292-Q295 PolarHBondContact O-N 3.38Å; L293-Q295 PolarHBondContact O-N 2.89Å; Q295-A298 PolarHBondContact O-N 3.04Å; Q295-K299 PolarHBondContact O-N 2.76Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; Q295-S359 VanDerWaalsContact CG-CB 3.49Å |
| 296 | F | 86.2 | Confident | 78.3 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.8 | 177.1 | -103.7 | 0 | 0 | 0 | 112.1 | S283 L284 V287 M292 L293 P294 K299 M300 | S283-F296 WeakPolarHBondContact OG-CZ 3.19Å; L284-F296 HydrophobicContact CB-CE1 4.37Å; V287-F296 HydrophobicContact CG2-CB 4.17Å; V287-F296 HydrophobicContact CG2-CD1 3.62Å; V287-F296 HydrophobicContact CG2-CD2 4.18Å; V287-F296 HydrophobicContact CG2-CE1 4.01Å; V287-F296 HydrophobicContact CG2-CG 3.7Å; V287-F296 HydrophobicContact CG2-CZ 4.48Å; M292-F296 WeakPolarHBondContact O-CB 3.33Å; M292-F296 PolarHBondContact O-N 3.42Å; L293-F296 PolarHBondContact O-N 2.94Å; P294-F296 PolarHBondContact O-N 3.34Å; F296-K299 PolarHBondContact O-N 2.95Å; F296-M300 HydrophobicContact CD1-CE 4.06Å; F296-M300 HydrophobicContact CE1-CE 3.2Å; F296-M300 HydrophobicContact CZ-CE 3.65Å; F296-M300 WeakPolarHBondContact O-CB 3.37Å; F296-M300 PolarHBondContact O-N 3.17Å |
| 297 | L | 85.3 | Confident | 76.6 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 177.1 | -74.3 | 165.4 | 0 | 0 | 0 | 111.9 | F267 W270 V271 L284 L293 P294 K299 M300 V301 | F267-L297 HydrophobicContact CB-CD1 3.69Å; F267-L297 HydrophobicContact CD1-CD1 3.3Å; F267-L297 HydrophobicContact CD2-CD1 3.75Å; F267-L297 HydrophobicContact CE1-CD1 3.74Å; F267-L297 HydrophobicContact CE2-CD1 4.14Å; F267-L297 HydrophobicContact CG-CD1 3.31Å; F267-L297 HydrophobicContact CZ-CD1 4.14Å; W270-L297 HydrophobicContact CE3-CD1 4.41Å; W270-L297 HydrophobicContact CE3-CD2 4.3Å; W270-L297 HydrophobicContact CZ3-CB 4.22Å; W270-L297 HydrophobicContact CZ3-CD1 4.12Å; W270-L297 HydrophobicContact CZ3-CD2 4Å; W270-L297 HydrophobicContact CZ3-CG 4.34Å; V271-L297 HydrophobicContact CG2-CD2 3.84Å; L284-L297 HydrophobicContact CD1-CD2 3.93Å; L293-L297 VanDerWaalsContact O-CB 3.3Å; L293-L297 WeakPolarHBondContact O-CB 3.09Å; L293-L297 WeakPolarHBondContact O-CD1 3.43Å; L293-L297 WeakPolarHBondContact O-CG 3.39Å; L293-L297 PolarHBondContact O-N 2.82Å; P294-L297 PolarHBondContact O-N 3.29Å; L297-K299 VanDerWaalsContact C-N 3.3Å; L297-K299 PolarHBondContact O-N 2.89Å; L297-M300 HydrophobicContact CD2-SD 4.47Å; L297-M300 PolarHBondContact O-N 3.25Å; L297-V301 WeakPolarHBondContact O-CB 3.37Å; L297-V301 VanDerWaalsContact O-CG2 3.26Å; L297-V301 WeakPolarHBondContact O-CG2 3.39Å; L297-V301 PolarHBondContact O-N 2.77Å |
| 298 | A | 79 | Confident | 75.1 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.2 | -48.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P294 Q295 M300 V301 S302 M916 | P294-A298 WeakPolarHBondContact O-CB 3.1Å; P294-A298 PolarHBondContact O-N 3.43Å; Q295-A298 PolarHBondContact O-N 3.04Å; A298-M300 PolarHBondContact O-N 2.7Å; A298-V301 PolarHBondContact O-N 2.7Å; A298-S302 WeakPolarHBondContact O-CB 3.17Å; A298-S302 PolarHBondContact O-N 2.77Å; A298-S302 PolarHBondContact O-OG 2.88Å; A298-M916 HydrophobicContact CB-CE 3.93Å |
| 299 | K | 81.7 | Confident | 73.6 | Confident | 135 Ų | 135 | 59.8 Ų | 59.8 | 59% | 0.587 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.2 | -46.8 | 175.6 | -172.1 | -179.7 | 178.2 | -176.4 | 0 | 112.6 | Q295 F296 L297 V301 S302 E303 | Q295-K299 PolarHBondContact O-N 2.76Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; F296-K299 PolarHBondContact O-N 2.95Å; L297-K299 VanDerWaalsContact C-N 3.3Å; L297-K299 PolarHBondContact O-N 2.89Å; K299-V301 PolarHBondContact O-N 3.06Å; K299-S302 PolarHBondContact O-N 2.84Å; K299-E303 VanDerWaalsContact CE-OE1 3.26Å; K299-E303 WeakPolarHBondContact CE-OE1 3.39Å; K299-E303 WeakPolarHBondContact O-CG 3.45Å; K299-E303 PolarHBondContact O-N 3.5Å |
| 300 | M | 79.5 | Confident | 72 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.3 | -35.8 | 178.8 | -177.8 | -171.4 | -62.1 | 0 | 0 | 112.5 | V271 W274 Q280 F296 L297 A298 | V271-M300 HydrophobicContact CG2-SD 4.43Å; W274-M300 HydrophobicContact CH2-CG 4.44Å; W274-M300 HydrophobicContact CH2-SD 4Å; W274-M300 HydrophobicContact CZ2-SD 4.41Å; Q280-M300 HydrophobicContact CB-CE 4.1Å; Q280-M300 HydrophobicContact CB-SD 3.74Å; Q280-M300 HydrophobicContact CG-CE 4.36Å; Q280-M300 HydrophobicContact CG-CG 4.13Å; Q280-M300 HydrophobicContact CG-SD 3.8Å; Q280-M300 WeakPolarHBondContact O-CE 3.35Å; F296-M300 HydrophobicContact CD1-CE 4.06Å; F296-M300 HydrophobicContact CE1-CE 3.2Å; F296-M300 HydrophobicContact CZ-CE 3.65Å; F296-M300 WeakPolarHBondContact O-CB 3.37Å; F296-M300 PolarHBondContact O-N 3.17Å; L297-M300 HydrophobicContact CD2-SD 4.47Å; L297-M300 PolarHBondContact O-N 3.25Å; A298-M300 PolarHBondContact O-N 2.7Å |
| 301 | V | 73.5 | Confident | 70.5 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -79.8 | -36.7 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | W270 W274 L297 A298 K299 S304 L307 R311 | W270-V301 HydrophobicContact CH2-CG2 4.2Å; W274-V301 HydrophobicContact CZ2-CG2 4.32Å; L297-V301 WeakPolarHBondContact O-CB 3.37Å; L297-V301 VanDerWaalsContact O-CG2 3.26Å; L297-V301 WeakPolarHBondContact O-CG2 3.39Å; L297-V301 PolarHBondContact O-N 2.77Å; A298-V301 PolarHBondContact O-N 2.7Å; K299-V301 PolarHBondContact O-N 3.06Å; V301-S304 PolarHBondContact O-N 3.44Å; V301-S304 PolarHBondContact O-OG 2.75Å; V301-L307 HydrophobicContact CG1-CD1 3.52Å; V301-L307 HydrophobicContact CG1-CD2 3.81Å; V301-L307 HydrophobicContact CG1-CG 3.36Å; V301-R311 HydrophobicContact CG1-CB 4.08Å |
| 302 | S | 69.6 | Low | 69.1 | Low | 60 Ų | 60 | 66.3 Ų | 66.3 | 42% | 0.42 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.4 | -29.7 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | A298 K299 S304 G305 | A298-S302 WeakPolarHBondContact O-CB 3.17Å; A298-S302 PolarHBondContact O-N 2.77Å; A298-S302 PolarHBondContact O-OG 2.88Å; K299-S302 PolarHBondContact O-N 2.84Å; S302-S304 PolarHBondContact O-N 3.11Å; S302-S304 VanDerWaalsContact O-N 3.07Å; S302-G305 PolarHBondContact O-N 3.12Å |
| 303 | E | 61.3 | Low | 67.9 | Low | 140 Ų | 140 | 64.2 Ų | 64.2 | 65% | 0.654 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.9 | 177.3 | -80.5 | 173.4 | -172.3 | 0 | 0 | 113.5 | K299 | K299-E303 VanDerWaalsContact CE-OE1 3.26Å; K299-E303 WeakPolarHBondContact CE-OE1 3.39Å; K299-E303 WeakPolarHBondContact O-CG 3.45Å; K299-E303 PolarHBondContact O-N 3.5Å |
| 304 | S | 55.5 | Low | 66.5 | Low | 55 Ų | 55 | 66.2 Ų | 66.2 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 8.3 | 174.9 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | V301 S302 R311 | V301-S304 PolarHBondContact O-N 3.44Å; V301-S304 PolarHBondContact O-OG 2.75Å; S302-S304 PolarHBondContact O-N 3.11Å; S302-S304 VanDerWaalsContact O-N 3.07Å; S304-R311 VanDerWaalsContact CB-NH1 3.31Å; S304-R311 PolarHBondContact OG-NH1 3.44Å |
| 305 | G | 58.1 | Low | 65 | Low | 59 Ų | 59 | 68.2 Ų | 68.2 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 89.9 | -115.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S302 | S302-G305 PolarHBondContact O-N 3.12Š|
| 306 | E | 47.8 | Very low | 63.9 | Low | 175 Ų | 175 | 71.3 Ų | 71.3 | 82% | 0.818 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -71.4 | 142.2 | 174.1 | -70.5 | -178 | 170.8 | 0 | 0 | 110.8 | P308 | E306-P308 WeakPolarHBondContact O-CD 2.92Š|
| 307 | L | 50.7 | Low | 63.1 | Low | 85 Ų | 85 | 69 Ų | 69 | 45% | 0.445 | 37% | 0.372 | S | S | . | . | trans | -71 | 106.5 | 172.3 | -123.7 | 110.9 | 0 | 0 | 0 | 107.9 | V301 E309 C312 | V301-L307 HydrophobicContact CG1-CD1 3.52Å; V301-L307 HydrophobicContact CG1-CD2 3.81Å; V301-L307 HydrophobicContact CG1-CG 3.36Å; L307-E309 PolarHBondContact O-N 3.21Å; L307-C312 WeakPolarHBondContact CD2-SG 3.38Å | ||
| 308 | P | 54.4 | Low | 62.5 | Low | 50 Ų | 50 | 69.9 Ų | 69.9 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | trans | -63.1 | 141.5 | 173.6 | -14.2 | 31.6 | 0 | 0 | 0 | 108 | E306 E310 R311 | E306-P308 WeakPolarHBondContact O-CD 2.92Å; P308-E310 PolarHBondContact O-N 2.93Å; P308-R311 HydrophobicContact CG-CG 4.28Å; P308-R311 PolarHBondContact O-N 2.94Å | ||
| 309 | E | 50.1 | Low | 62.2 | Low | 121 Ų | 121 | 71.7 Ų | 71.7 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -47.2 | -35.5 | 177.8 | -73.4 | -171.6 | 173.3 | 0 | 0 | 112.1 | L307 R311 C312 R316 | L307-E309 PolarHBondContact O-N 3.21Å; E309-R311 PolarHBondContact O-N 3.12Å; E309-R311 VanDerWaalsContact O-N 3.17Å; E309-C312 WeakPolarHBondContact O-CB 3.34Å; E309-C312 PolarHBondContact O-N 2.77Å; E309-C312 VanDerWaalsContact O-N 3.09Å; E309-R316 IonicContact OE2-CZ 2.7Å; E309-R316 IonicContact OE2-NH1 3.38Å; E309-R316 PolarHBondContact OE2-NH1 3.4Å |
| 310 | E | 50.7 | Low | 62.1 | Low | 133 Ų | 133 | 69.3 Ų | 69.3 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -60.8 | -22.7 | 178.7 | -60 | 178.6 | 172.5 | 0 | 0 | 114.3 | P308 Q317 | P308-E310 PolarHBondContact O-N 2.93Å; E310-Q317 WeakPolarHBondContact O-CG 3.44Å; E310-Q317 PolarHBondContact O-NE2 2.91Å |
| 311 | R | 58.9 | Low | 62.4 | Low | 50 Ų | 50 | 68.8 Ų | 68.8 | 19% | 0.189 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -102.5 | 4.6 | 179 | -53.8 | -168.7 | -168.7 | 173.3 | 9.7 | 112.9 | W270 W274 V301 S304 P308 E309 | W270-R311 WeakPolarHBondContact CZ2-O 3.44Å; W274-R311 HydrophobicContact CB-CG 4.18Å; W274-R311 HydrophobicContact CD2-CG 3.93Å; W274-R311 HydrophobicContact CE3-CG 4.1Å; W274-R311 HydrophobicContact CG-CG 4Å; V301-R311 HydrophobicContact CG1-CB 4.08Å; S304-R311 VanDerWaalsContact CB-NH1 3.31Å; S304-R311 PolarHBondContact OG-NH1 3.44Å; P308-R311 HydrophobicContact CG-CG 4.28Å; P308-R311 PolarHBondContact O-N 2.94Å; E309-R311 PolarHBondContact O-N 3.12Å; E309-R311 VanDerWaalsContact O-N 3.17Å |
| 312 | C | 58.2 | Low | 62.9 | Low | 25 Ų | 25 | 69.2 Ų | 69.2 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -82.1 | 136.6 | 168.8 | -68 | 0 | 0 | 0 | 0 | 109.4 | L307 E309 D314 Q317 | L307-C312 WeakPolarHBondContact CD2-SG 3.38Å; E309-C312 WeakPolarHBondContact O-CB 3.34Å; E309-C312 PolarHBondContact O-N 2.77Å; E309-C312 VanDerWaalsContact O-N 3.09Å; C312-D314 HydrophobicContact CB-CB 4.09Å; C312-D314 PolarHBondContact O-N 3.35Å; C312-Q317 WeakPolarHBondContact O-CB 3.46Å; C312-Q317 VanDerWaalsContact O-CG 3.24Å; C312-Q317 WeakPolarHBondContact O-CG 3.46Å |
| 313 | L | 63.7 | Low | 63.7 | Low | 37 Ų | 37 | 67.9 Ų | 67.9 | 19% | 0.194 | 36% | 0.356 | C | S | . | . | trans | -78.3 | 56.6 | 165.8 | -73.9 | 170.6 | 0 | 0 | 0 | 110.5 | F267 W270 Q317 R318 F321 F362 | F267-L313 HydrophobicContact CE1-CD1 4.34Å; W270-L313 HydrophobicContact CD2-CD2 4.09Å; W270-L313 HydrophobicContact CD2-CG 4.38Å; W270-L313 HydrophobicContact CG-CD2 4.08Å; W270-L313 HydrophobicContact CH2-CD1 4.4Å; W270-L313 HydrophobicContact CH2-CG 4.33Å; W270-L313 HydrophobicContact CZ2-CD1 4.17Å; W270-L313 HydrophobicContact CZ2-CD2 4.11Å; W270-L313 HydrophobicContact CZ2-CG 3.64Å; L313-Q317 HydrophobicContact CD2-CB 4.34Å; L313-R318 PolarHBondContact O-NE 3.45Å; L313-F321 HydrophobicContact CD2-CB 4.24Å; L313-F321 HydrophobicContact CD2-CD2 3.6Å; L313-F321 HydrophobicContact CD2-CE2 4.22Å; L313-F321 HydrophobicContact CD2-CG 4.06Å; L313-F362 HydrophobicContact CB-CD2 4.21Å; L313-F362 HydrophobicContact CB-CE2 4.35Å; L313-F362 HydrophobicContact CB-CG 4.49Å; L313-F362 HydrophobicContact CD1-CD1 4.01Å; L313-F362 HydrophobicContact CD1-CE1 4.44Å; L313-F362 HydrophobicContact CD1-CG 4.16Å | ||
| 314 | D | 61 | Low | 65.1 | Low | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.219 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -86.6 | -172.2 | 178.3 | 76.7 | -18.4 | 0 | 0 | 0 | 111.6 | C312 R316 Q317 R318 | C312-D314 HydrophobicContact CB-CB 4.09Å; C312-D314 PolarHBondContact O-N 3.35Å; D314-R316 PolarHBondContact O-N 2.87Å; D314-R316 WeakPolarHBondContact OD1-CA 3.17Å; D314-R316 WeakPolarHBondContact OD1-CB 3.46Å; D314-R316 PolarHBondContact OD1-N 3.17Å; D314-Q317 PolarHBondContact O-N 2.93Å; D314-Q317 PolarHBondContact OD1-N 3.44Å; D314-R318 VanDerWaalsContact O-CB 3.29Å; D314-R318 WeakPolarHBondContact O-CB 3.46Å; D314-R318 WeakPolarHBondContact O-CG 3.36Å; D314-R318 PolarHBondContact O-N 3.46Å |
| 315 | G | 56.5 | Low | 66.8 | Low | 53 Ų | 53 | 61.2 Ų | 61.2 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.6 | -30.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 316 | R | 61.2 | Low | 68.3 | Low | 164 Ų | 164 | 59.8 Ų | 59.8 | 62% | 0.619 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -79.9 | -24.6 | 179.3 | -66.7 | -177.6 | 179.5 | 164.3 | 6.1 | 113.5 | E309 D314 H319 | E309-R316 IonicContact OE2-CZ 2.7Å; E309-R316 IonicContact OE2-NH1 3.38Å; E309-R316 PolarHBondContact OE2-NH1 3.4Å; D314-R316 PolarHBondContact O-N 2.87Å; D314-R316 WeakPolarHBondContact OD1-CA 3.17Å; D314-R316 WeakPolarHBondContact OD1-CB 3.46Å; D314-R316 PolarHBondContact OD1-N 3.17Å; R316-H319 PolarHBondContact O-CE1 3.1Å; R316-H319 PolarHBondContact O-ND1 3.15Å |
| 317 | Q | 67.8 | Low | 70.3 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -98.6 | -24.2 | 173.1 | -68.3 | -67.2 | -6.1 | 0 | 0 | 113.3 | E310 C312 L313 D314 H319 K320 F321 | E310-Q317 WeakPolarHBondContact O-CG 3.44Å; E310-Q317 PolarHBondContact O-NE2 2.91Å; C312-Q317 WeakPolarHBondContact O-CB 3.46Å; C312-Q317 VanDerWaalsContact O-CG 3.24Å; C312-Q317 WeakPolarHBondContact O-CG 3.46Å; L313-Q317 HydrophobicContact CD2-CB 4.34Å; D314-Q317 PolarHBondContact O-N 2.93Å; D314-Q317 PolarHBondContact OD1-N 3.44Å; Q317-H319 PolarHBondContact O-N 3.26Å; Q317-K320 PolarHBondContact O-N 3.04Å; Q317-F321 PolarHBondContact O-N 2.81Å |
| 318 | R | 73.2 | Confident | 72.3 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -51.3 | -42.4 | 176.1 | -83.8 | 173.2 | -158.2 | -169.3 | 7.2 | 113.2 | E219 L313 D314 K320 F321 I322 F362 | E219-R318 IonicContact OE1-CZ 2.76Å; E219-R318 IonicContact OE1-NH1 2.95Å; E219-R318 PolarHBondContact OE1-NH1 3.1Å; L313-R318 PolarHBondContact O-NE 3.45Å; D314-R318 VanDerWaalsContact O-CB 3.29Å; D314-R318 WeakPolarHBondContact O-CB 3.46Å; D314-R318 WeakPolarHBondContact O-CG 3.36Å; D314-R318 PolarHBondContact O-N 3.46Å; R318-K320 PolarHBondContact O-N 3.12Å; R318-F321 PolarHBondContact O-N 3.27Å; R318-I322 HydrophobicContact CB-CD1 4.43Å; R318-I322 WeakPolarHBondContact O-CG1 3.42Å; R318-I322 PolarHBondContact O-N 3.39Å; R318-F362 HydrophobicContact CG-CE2 3.66Å; R318-F362 HydrophobicContact CG-CZ 3.94Å |
| 319 | H | 72.4 | Confident | 74.1 | Confident | 70 Ų | 70 | 47 Ų | 47 | 32% | 0.324 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66 | -22.6 | -178.1 | 76.5 | -98.1 | 0 | 0 | 0 | 114.5 | Y217 R316 Q317 P323 | Y217-H319 HydrophobicContact CD1-CB 4.32Å; Y217-H319 HydrophobicContact CE1-CB 3.32Å; Y217-H319 VanDerWaalsContact OH-CB 3.29Å; Y217-H319 WeakPolarHBondContact OH-CB 3.44Å; R316-H319 PolarHBondContact O-CE1 3.1Å; R316-H319 PolarHBondContact O-ND1 3.15Å; Q317-H319 PolarHBondContact O-N 3.26Å; H319-P323 WeakPolarHBondContact O-CD 3.34Å; H319-P323 WeakPolarHBondContact O-CG 3.45Å |
| 320 | K | 79.4 | Confident | 76 | Confident | 84 Ų | 84 | 41.5 Ų | 41.5 | 37% | 0.365 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -89.2 | -38.6 | 172.8 | -58.6 | -177.2 | -175.6 | 166.4 | 0 | 111 | Q317 R318 P323 W324 | Q317-K320 PolarHBondContact O-N 3.04Å; R318-K320 PolarHBondContact O-N 3.12Å; K320-P323 WeakPolarHBondContact O-CD 3.23Å; K320-W324 HydrophobicContact CB-CH2 3.6Å; K320-W324 HydrophobicContact CB-CZ2 3.89Å; K320-W324 HydrophobicContact CB-CZ3 4.12Å |
| 321 | F | 85.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.2 | -47.3 | -175.2 | -165.7 | -78.2 | 0 | 0 | 0 | 113.5 | A266 F267 W270 L313 Q317 R318 W324 L325 F362 L363 | A266-F321 HydrophobicContact CB-CE1 3.9Å; A266-F321 HydrophobicContact CB-CE2 4.14Å; A266-F321 HydrophobicContact CB-CZ 3.59Å; F267-F321 AromaticContact CD1-CE2 3.65Å; F267-F321 HydrophobicContact CD1-CE2 3.65Å; F267-F321 AromaticContact CD1-CZ 3.89Å; F267-F321 HydrophobicContact CD1-CZ 3.89Å; F267-F321 AromaticContact CE1-CE2 3.9Å; F267-F321 HydrophobicContact CE1-CE2 3.9Å; F267-F321 AromaticContact CE1-CZ 3.83Å; F267-F321 HydrophobicContact CE1-CZ 3.83Å; F267-F321 HydrophobicContact CG-CE2 4.46Å; F267-F321 HydrophobicContact CZ-CZ 4.41Å; W270-F321 HydrophobicContact CB-CD2 3.87Å; W270-F321 HydrophobicContact CB-CE2 3.99Å; W270-F321 HydrophobicContact CG-CD2 4.11Å; W270-F321 HydrophobicContact CG-CE2 4.37Å; L313-F321 HydrophobicContact CD2-CB 4.24Å; L313-F321 HydrophobicContact CD2-CD2 3.6Å; L313-F321 HydrophobicContact CD2-CE2 4.22Å; L313-F321 HydrophobicContact CD2-CG 4.06Å; Q317-F321 PolarHBondContact O-N 2.81Å; R318-F321 PolarHBondContact O-N 3.27Å; F321-W324 HydrophobicContact CB-CE3 4.45Å; F321-W324 HydrophobicContact CD2-CE3 4.41Å; F321-W324 WeakPolarHBondContact O-CB 3.41Å; F321-W324 PolarHBondContact O-N 2.97Å; F321-L325 PolarHBondContact O-N 3.2Å; F321-F362 AromaticContact CD1-CE1 3.62Å; F321-F362 HydrophobicContact CD1-CE1 3.62Å; F321-F362 HydrophobicContact CD1-CZ 4.28Å; F321-F362 HydrophobicContact CE1-CD1 4.39Å; F321-F362 AromaticContact CE1-CE1 3.77Å; F321-F362 HydrophobicContact CE1-CE1 3.77Å; F321-F362 HydrophobicContact CG-CE1 4.2Å; F321-F362 HydrophobicContact CZ-CE1 4.44Å; F321-L363 HydrophobicContact CE1-CD2 3.93Å; F321-L363 HydrophobicContact CE1-CG 4.45Å; F321-L363 HydrophobicContact CZ-CD1 4.4Å |
| 322 | I | 85.2 | Confident | 79.6 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | -175.6 | -66.3 | 166.9 | 0 | 0 | 0 | 111.9 | W218 R318 W324 L325 D326 Y408 | W218-I322 HydrophobicContact CZ2-CG2 4.43Å; R318-I322 HydrophobicContact CB-CD1 4.43Å; R318-I322 WeakPolarHBondContact O-CG1 3.42Å; R318-I322 PolarHBondContact O-N 3.39Å; I322-W324 VanDerWaalsContact C-N 3.27Å; I322-W324 PolarHBondContact O-N 3.12Å; I322-L325 WeakPolarHBondContact O-CB 3.29Å; I322-L325 PolarHBondContact O-N 3.02Å; I322-L325 VanDerWaalsContact O-N 3.07Å; I322-D326 PolarHBondContact O-N 3.44Å; I322-Y408 HydrophobicContact CD1-CD1 4.12Å; I322-Y408 HydrophobicContact CD1-CE1 3.45Å; I322-Y408 VanDerWaalsContact CD1-CE1 3.45Å; I322-Y408 HydrophobicContact CG1-CD1 4.15Å; I322-Y408 HydrophobicContact CG1-CE1 4Å |
| 323 | P | 86.7 | Confident | 81.2 | Confident | 32 Ų | 32 | 33 Ų | 33 | 21% | 0.208 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.3 | -36.3 | 172.9 | -28.8 | 36 | 0 | 0 | 0 | 114.2 | H319 K320 D326 V327 | H319-P323 WeakPolarHBondContact O-CD 3.34Å; H319-P323 WeakPolarHBondContact O-CG 3.45Å; K320-P323 WeakPolarHBondContact O-CD 3.23Å; P323-D326 PolarHBondContact O-N 3.09Å; P323-V327 VanDerWaalsContact O-CG2 3.28Å; P323-V327 WeakPolarHBondContact O-CG2 3.27Å; P323-V327 PolarHBondContact O-N 3.28Å |
| 324 | W | 90.7 | Very high | 82.4 | Confident | 54 Ų | 54 | 34.9 Ų | 34.9 | 21% | 0.205 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.8 | -38.3 | 174.7 | -59.2 | -33 | 0 | 0 | 0 | 112 | Y265 N269 W270 K320 F321 I322 A328 | Y265-W324 HydrophobicContact CD1-CB 4.25Å; Y265-W324 WeakPolarHBondContact CD1-O 3.45Å; Y265-W324 HydrophobicContact CE1-CB 3.75Å; Y265-W324 HydrophobicContact CE1-CG 4.41Å; Y265-W324 WeakPolarHBondContact CE1-O 3.33Å; N269-W324 HydrophobicContact CB-CD2 3.38Å; N269-W324 HydrophobicContact CB-CE3 3.5Å; N269-W324 HydrophobicContact CB-CG 3.88Å; N269-W324 HydrophobicContact CB-CH2 4.22Å; N269-W324 HydrophobicContact CB-CZ2 4.06Å; N269-W324 HydrophobicContact CB-CZ3 3.96Å; W270-W324 VanDerWaalsContact CA-CZ3 3.5Å; W270-W324 HydrophobicContact CB-CZ3 4.03Å; W270-W324 VanDerWaalsContact N-CZ3 3.33Å; K320-W324 HydrophobicContact CB-CH2 3.6Å; K320-W324 HydrophobicContact CB-CZ2 3.89Å; K320-W324 HydrophobicContact CB-CZ3 4.12Å; F321-W324 HydrophobicContact CB-CE3 4.45Å; F321-W324 HydrophobicContact CD2-CE3 4.41Å; F321-W324 WeakPolarHBondContact O-CB 3.41Å; F321-W324 PolarHBondContact O-N 2.97Å; I322-W324 VanDerWaalsContact C-N 3.27Å; I322-W324 PolarHBondContact O-N 3.12Å; W324-A328 WeakPolarHBondContact O-CB 3.3Å; W324-A328 PolarHBondContact O-N 3.44Å; W324-A328 VanDerWaalsContact O-N 3.11Å |
| 325 | L | 91.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -48.6 | 174.1 | -176.8 | 63.6 | 0 | 0 | 0 | 111.1 | V262 F321 I322 V327 A328 I329 L363 T412 | V262-L325 HydrophobicContact CG1-CD1 3.55Å; F321-L325 PolarHBondContact O-N 3.2Å; I322-L325 WeakPolarHBondContact O-CB 3.29Å; I322-L325 PolarHBondContact O-N 3.02Å; I322-L325 VanDerWaalsContact O-N 3.07Å; L325-V327 PolarHBondContact O-N 3.19Å; L325-A328 PolarHBondContact O-N 3.21Å; L325-I329 HydrophobicContact CD1-CD1 3.86Å; L325-I329 HydrophobicContact CD1-CG1 4.31Å; L325-I329 HydrophobicContact CG-CD1 3.88Å; L325-I329 WeakPolarHBondContact O-CB 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.04Å; L325-I329 PolarHBondContact O-N 3.15Å; L325-L363 HydrophobicContact CD1-CD2 4.19Å; L325-L363 HydrophobicContact CD2-CD2 3.69Å; L325-T412 HydrophobicContact CD2-CG2 4.49Å; L325-T412 WeakPolarHBondContact CD2-OG1 3.29Å; L325-T412 HydrophobicContact CG-CG2 4.4Å |
| 326 | D | 89.3 | Confident | 85.3 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 16% | 0.16 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.5 | -49.5 | 177.4 | -81.3 | -13.9 | 0 | 0 | 0 | 111.4 | I322 P323 A328 I329 A330 T412 K415 | I322-D326 PolarHBondContact O-N 3.44Å; P323-D326 PolarHBondContact O-N 3.09Å; D326-A328 PolarHBondContact O-N 3.24Å; D326-I329 PolarHBondContact O-N 3.18Å; D326-A330 WeakPolarHBondContact O-CB 3.41Å; D326-A330 PolarHBondContact O-N 2.78Å; D326-T412 WeakPolarHBondContact OD1-CG2 3.43Å; D326-K415 IonicContact OD1-NZ 3.65Å; D326-K415 IonicContact OD2-NZ 2.77Å; D326-K415 PolarHBondContact OD2-NZ 3.21Å |
| 327 | V | 90.2 | Very high | 86.5 | Confident | 37 Ų | 37 | 32.3 Ų | 32.3 | 22% | 0.224 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | -179.6 | 168.3 | 0 | 0 | 0 | 0 | 111.8 | V254 P323 L325 S331 | V254-V327 HydrophobicContact CG1-CG1 3.79Å; P323-V327 VanDerWaalsContact O-CG2 3.28Å; P323-V327 WeakPolarHBondContact O-CG2 3.27Å; P323-V327 PolarHBondContact O-N 3.28Å; L325-V327 PolarHBondContact O-N 3.19Å; V327-S331 WeakPolarHBondContact O-CB 3.25Å; V327-S331 PolarHBondContact O-N 2.87Å; V327-S331 PolarHBondContact O-OG 3.39Å |
| 328 | A | 91.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.2 | -40.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V262 Y265 W324 L325 D326 S331 K332 | V262-A328 HydrophobicContact CB-CB 4.27Å; V262-A328 HydrophobicContact CG1-CB 3.89Å; V262-A328 HydrophobicContact CG2-CB 4.2Å; Y265-A328 HydrophobicContact CD1-CB 3.47Å; Y265-A328 VanDerWaalsContact CD1-CB 3.47Å; Y265-A328 HydrophobicContact CE1-CB 4.11Å; Y265-A328 HydrophobicContact CG-CB 3.94Å; W324-A328 WeakPolarHBondContact O-CB 3.3Å; W324-A328 PolarHBondContact O-N 3.44Å; W324-A328 VanDerWaalsContact O-N 3.11Å; L325-A328 PolarHBondContact O-N 3.21Å; D326-A328 PolarHBondContact O-N 3.24Å; A328-S331 PolarHBondContact O-N 2.66Å; A328-K332 WeakPolarHBondContact O-CB 3.3Å; A328-K332 PolarHBondContact O-N 3.36Å |
| 329 | I | 92.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 175.4 | -73.7 | 174.4 | 0 | 0 | 0 | 109.8 | V262 L325 D326 S331 K332 F333 T412 L413 | V262-I329 HydrophobicContact CG1-CG1 3.77Å; V262-I329 HydrophobicContact CG2-CG1 4.28Å; L325-I329 HydrophobicContact CD1-CD1 3.86Å; L325-I329 HydrophobicContact CD1-CG1 4.31Å; L325-I329 HydrophobicContact CG-CD1 3.88Å; L325-I329 WeakPolarHBondContact O-CB 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.04Å; L325-I329 PolarHBondContact O-N 3.15Å; D326-I329 PolarHBondContact O-N 3.18Å; I329-S331 VanDerWaalsContact C-N 3.34Å; I329-S331 PolarHBondContact O-N 3.17Å; I329-K332 WeakPolarHBondContact O-CB 3.33Å; I329-K332 PolarHBondContact O-N 2.99Å; I329-K332 VanDerWaalsContact O-N 3.16Å; I329-F333 HydrophobicContact CG2-CD2 3.95Å; I329-F333 HydrophobicContact CG2-CE2 3.89Å; I329-F333 WeakPolarHBondContact O-CD2 3.48Å; I329-F333 PolarHBondContact O-N 2.75Å; I329-T412 HydrophobicContact CD1-CG2 3.51Å; I329-L413 HydrophobicContact CG2-CD2 4.23Å |
| 330 | A | 89.8 | Confident | 89.1 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M210 D326 K332 F333 E334 | M210-A330 HydrophobicContact CE-CB 2.98Å; M210-A330 HydrophobicContact SD-CB 3.39Å; M210-A330 WeakPolarHBondContact SD-CB 3.39Å; D326-A330 WeakPolarHBondContact O-CB 3.41Å; D326-A330 PolarHBondContact O-N 2.78Å; A330-K332 VanDerWaalsContact C-N 3.28Å; A330-K332 PolarHBondContact O-N 3.09Å; A330-F333 PolarHBondContact O-N 3Å; A330-F333 VanDerWaalsContact O-N 3.14Å; A330-E334 WeakPolarHBondContact O-CG 3.46Å; A330-E334 PolarHBondContact O-N 3.2Å |
| 331 | S | 90.9 | Very high | 89.4 | Confident | 27 Ų | 27 | 30 Ų | 30 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -40.5 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | V327 A328 I329 Q335 | V327-S331 WeakPolarHBondContact O-CB 3.25Å; V327-S331 PolarHBondContact O-N 2.87Å; V327-S331 PolarHBondContact O-OG 3.39Å; A328-S331 PolarHBondContact O-N 2.66Å; I329-S331 VanDerWaalsContact C-N 3.34Å; I329-S331 PolarHBondContact O-N 3.17Å; S331-Q335 WeakPolarHBondContact O-CB 2.97Å; S331-Q335 WeakPolarHBondContact O-CG 3.15Å; S331-Q335 PolarHBondContact O-N 2.98Å; S331-Q335 VanDerWaalsContact O-N 3.09Å; S331-Q335 PolarHBondContact O-NE2 3.19Å |
| 332 | K | 93.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 175.5 | 174.4 | -176.7 | 175.9 | -168.4 | 0 | 111.7 | P243 L244 S245 T252 V262 A328 I329 A330 Q335 H336 L339 | P243-K332 WeakPolarHBondContact O-CE 3.47Å; P243-K332 PolarHBondContact O-NZ 3.49Å; L244-K332 PolarHBondContact O-NZ 2.57Å; S245-K332 PolarHBondContact O-NZ 2.79Å; T252-K332 HydrophobicContact CG2-CB 4.04Å; V262-K332 HydrophobicContact CG2-CB 4.19Å; V262-K332 HydrophobicContact CG2-CD 3.65Å; A328-K332 WeakPolarHBondContact O-CB 3.3Å; A328-K332 PolarHBondContact O-N 3.36Å; I329-K332 WeakPolarHBondContact O-CB 3.33Å; I329-K332 PolarHBondContact O-N 2.99Å; I329-K332 VanDerWaalsContact O-N 3.16Å; A330-K332 VanDerWaalsContact C-N 3.28Å; A330-K332 PolarHBondContact O-N 3.09Å; K332-Q335 PolarHBondContact O-N 3.23Å; K332-H336 WeakPolarHBondContact O-CB 3.48Å; K332-H336 PolarHBondContact O-CD2 3.16Å; K332-H336 PolarHBondContact O-N 3.17Å; K332-L339 HydrophobicContact CD-CD1 4.23Å; K332-L339 HydrophobicContact CG-CD1 3.84Å |
| 333 | F | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.2 | -29 | -179.3 | -83.2 | -113.6 | 0 | 0 | 0 | 113.2 | L244 I329 A330 H336 L339 K340 L343 L413 Y416 | L244-F333 HydrophobicContact CD2-CE1 4.31Å; L244-F333 HydrophobicContact CD2-CZ 3.84Å; I329-F333 HydrophobicContact CG2-CD2 3.95Å; I329-F333 HydrophobicContact CG2-CE2 3.89Å; I329-F333 WeakPolarHBondContact O-CD2 3.48Å; I329-F333 PolarHBondContact O-N 2.75Å; A330-F333 PolarHBondContact O-N 3Å; A330-F333 VanDerWaalsContact O-N 3.14Å; F333-H336 CarbonylContact O-C 3.5Å; F333-H336 VanDerWaalsContact O-C 3.27Å; F333-L339 HydrophobicContact CD1-CB 3.79Å; F333-L339 HydrophobicContact CD2-CB 4.45Å; F333-L339 HydrophobicContact CD2-CD1 4.45Å; F333-L339 VanDerWaalsContact CE1-C 3.5Å; F333-L339 HydrophobicContact CE1-CB 3.77Å; F333-L339 VanDerWaalsContact CE1-O 3.3Å; F333-L339 WeakPolarHBondContact CE1-O 3.39Å; F333-L339 HydrophobicContact CE2-CB 4.41Å; F333-L339 HydrophobicContact CG-CB 4.19Å; F333-L339 HydrophobicContact CZ-CB 4.1Å; F333-K340 HydrophobicContact CB-CG 4.28Å; F333-K340 HydrophobicContact CD1-CB 4.42Å; F333-K340 HydrophobicContact CD1-CG 3.76Å; F333-K340 WeakPolarHBondContact O-CE 3.35Å; F333-L343 HydrophobicContact CE1-CB 3.87Å; F333-L343 HydrophobicContact CE1-CD2 3.68Å; F333-L343 HydrophobicContact CE1-CG 4.42Å; F333-L343 HydrophobicContact CZ-CB 4.35Å; F333-L343 HydrophobicContact CZ-CD2 3.97Å; F333-L413 HydrophobicContact CE2-CD2 3.8Å; F333-L413 HydrophobicContact CZ-CD2 3.61Å; F333-Y416 HydrophobicContact CB-CE1 3.72Å; F333-Y416 AromaticContact CD1-CD1 3.86Å; F333-Y416 HydrophobicContact CD1-CD1 3.86Å; F333-Y416 AromaticContact CD1-CE1 3.34Å; F333-Y416 HydrophobicContact CD1-CE1 3.34Å; F333-Y416 HydrophobicContact CD2-CE1 4.39Å; F333-Y416 AromaticContact CE1-CD1 3.98Å; F333-Y416 HydrophobicContact CE1-CD1 3.98Å; F333-Y416 AromaticContact CE1-CE1 3.93Å; F333-Y416 HydrophobicContact CE1-CE1 3.93Å; F333-Y416 HydrophobicContact CG-CD1 4.18Å; F333-Y416 AromaticContact CG-CE1 3.57Å; F333-Y416 HydrophobicContact CG-CE1 3.57Å; F333-Y416 HydrophobicContact CZ-CD1 4.43Å |
| 334 | E | 88.3 | Confident | 90.1 | Very high | 76 Ų | 76 | 29.9 Ų | 29.9 | 36% | 0.355 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -69 | -40.4 | 170.2 | -69.2 | -47.5 | 136.3 | 0 | 0 | 111.9 | A330 H336 K340 | A330-E334 WeakPolarHBondContact O-CG 3.46Å; A330-E334 PolarHBondContact O-N 3.2Å; E334-H336 VanDerWaalsContact C-N 3.31Å; E334-H336 PolarHBondContact O-N 3.08Å; E334-K340 IonicContact OE1-NZ 3.32Å; E334-K340 PolarHBondContact OE1-NZ 3.33Å; E334-K340 IonicContact OE2-NZ 3.94Å; E334-K340 PolarHBondContact OE2-NZ 3.22Å |
| 335 | Q | 88.1 | Confident | 89.8 | Confident | 75 Ų | 75 | 27.5 Ų | 27.5 | 35% | 0.35 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -72.1 | -25.6 | 176.2 | -74.6 | 165.4 | 76.3 | 0 | 0 | 112.9 | L253 S331 K332 | L253-Q335 PolarHBondContact O-NE2 2.99Å; S331-Q335 WeakPolarHBondContact O-CB 2.97Å; S331-Q335 WeakPolarHBondContact O-CG 3.15Å; S331-Q335 PolarHBondContact O-N 2.98Å; S331-Q335 VanDerWaalsContact O-N 3.09Å; S331-Q335 PolarHBondContact O-NE2 3.19Å; K332-Q335 PolarHBondContact O-N 3.23Å |
| 336 | H | 89.8 | Confident | 89.7 | Confident | 49 Ų | 49 | 27.5 Ų | 27.5 | 23% | 0.227 | 15% | 0.152 | C | C | . | . | trans | -130.7 | 78.5 | -179.7 | -57.7 | -64 | 0 | 0 | 0 | 111.7 | C250 K332 F333 E334 S338 L339 V546 | C250-H336 PolarHBondContact SG-CD2 3.5Å; C250-H336 PolarHBondContact SG-NE2 2.68Å; K332-H336 WeakPolarHBondContact O-CB 3.48Å; K332-H336 PolarHBondContact O-CD2 3.16Å; K332-H336 PolarHBondContact O-N 3.17Å; F333-H336 CarbonylContact O-C 3.5Å; F333-H336 VanDerWaalsContact O-C 3.27Å; E334-H336 VanDerWaalsContact C-N 3.31Å; E334-H336 PolarHBondContact O-N 3.08Å; H336-S338 PolarHBondContact O-N 3.3Å; H336-S338 VanDerWaalsContact O-N 3.09Å; H336-L339 HydrophobicContact CB-CD1 3.76Å; H336-L339 HydrophobicContact CB-CG 3.87Å; H336-L339 WeakPolarHBondContact O-CB 3.47Å; H336-L339 WeakPolarHBondContact O-CG 3.39Å; H336-L339 PolarHBondContact O-N 3.17Å; H336-V546 HydrophobicContact CB-CG1 4.3Å | ||
| 337 | P | 87.1 | Confident | 89.4 | Confident | 81 Ų | 81 | 26.1 Ų | 26.1 | 53% | 0.526 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.1 | -176.7 | -27.5 | 35.7 | 0 | 0 | 0 | 114.7 | L339 K340 | P337-L339 PolarHBondContact O-N 3.05Å; P337-K340 VanDerWaalsContact O-CB 3.29Å; P337-K340 WeakPolarHBondContact O-CB 3.25Å; P337-K340 PolarHBondContact O-N 2.95Å |
| 338 | S | 86 | Confident | 89.1 | Confident | 35 Ų | 35 | 25.9 Ų | 25.9 | 25% | 0.245 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -23.9 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | H336 K340 T341 L342 | H336-S338 PolarHBondContact O-N 3.3Å; H336-S338 VanDerWaalsContact O-N 3.09Å; S338-K340 VanDerWaalsContact C-N 3.32Å; S338-T341 WeakPolarHBondContact O-CB 3.39Å; S338-T341 PolarHBondContact O-N 3.25Å; S338-L342 PolarHBondContact O-N 3.4Å |
| 339 | L | 91.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.4 | -30.1 | 174.5 | -61.4 | -178.7 | 0 | 0 | 0 | 112.4 | P243 L244 K332 F333 H336 P337 T341 L342 L343 V546 | P243-L339 HydrophobicContact CB-CD2 3.58Å; L244-L339 HydrophobicContact CD2-CB 4.38Å; L244-L339 HydrophobicContact CD2-CD2 4.41Å; K332-L339 HydrophobicContact CD-CD1 4.23Å; K332-L339 HydrophobicContact CG-CD1 3.84Å; F333-L339 HydrophobicContact CD1-CB 3.79Å; F333-L339 HydrophobicContact CD2-CB 4.45Å; F333-L339 HydrophobicContact CD2-CD1 4.45Å; F333-L339 VanDerWaalsContact CE1-C 3.5Å; F333-L339 HydrophobicContact CE1-CB 3.77Å; F333-L339 VanDerWaalsContact CE1-O 3.3Å; F333-L339 WeakPolarHBondContact CE1-O 3.39Å; F333-L339 HydrophobicContact CE2-CB 4.41Å; F333-L339 HydrophobicContact CG-CB 4.19Å; F333-L339 HydrophobicContact CZ-CB 4.1Å; H336-L339 HydrophobicContact CB-CD1 3.76Å; H336-L339 HydrophobicContact CB-CG 3.87Å; H336-L339 WeakPolarHBondContact O-CB 3.47Å; H336-L339 WeakPolarHBondContact O-CG 3.39Å; H336-L339 PolarHBondContact O-N 3.17Å; P337-L339 PolarHBondContact O-N 3.05Å; L339-T341 VanDerWaalsContact C-N 3.32Å; L339-L342 HydrophobicContact CD2-CD2 4.38Å; L339-L342 PolarHBondContact O-N 3.2Å; L339-L343 WeakPolarHBondContact O-CB 3.49Å; L339-L343 PolarHBondContact O-N 2.97Å; L339-V546 HydrophobicContact CD2-CG1 3.61Å; L339-V546 HydrophobicContact CG-CG1 3.99Å |
| 340 | K | 90.7 | Very high | 88.6 | Confident | 48 Ų | 48 | 25.6 Ų | 25.6 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 173.8 | -62.8 | 175.7 | 176.5 | 178.7 | 0 | 109.6 | F333 E334 P337 S338 L343 L344 Y416 L420 | F333-K340 HydrophobicContact CB-CG 4.28Å; F333-K340 HydrophobicContact CD1-CB 4.42Å; F333-K340 HydrophobicContact CD1-CG 3.76Å; F333-K340 WeakPolarHBondContact O-CE 3.35Å; E334-K340 IonicContact OE1-NZ 3.32Å; E334-K340 PolarHBondContact OE1-NZ 3.33Å; E334-K340 IonicContact OE2-NZ 3.94Å; E334-K340 PolarHBondContact OE2-NZ 3.22Å; P337-K340 VanDerWaalsContact O-CB 3.29Å; P337-K340 WeakPolarHBondContact O-CB 3.25Å; P337-K340 PolarHBondContact O-N 2.95Å; S338-K340 VanDerWaalsContact C-N 3.32Å; K340-L343 PolarHBondContact O-N 3.25Å; K340-L344 WeakPolarHBondContact O-CG 3.5Å; K340-L344 PolarHBondContact O-N 2.84Å; K340-Y416 WeakPolarHBondContact CE-OH 3.38Å; K340-Y416 HydrophobicContact CG-CE1 4.49Å; K340-L420 HydrophobicContact CB-CD1 3.91Å; K340-L420 HydrophobicContact CB-CD2 4.48Å; K340-L420 HydrophobicContact CD-CD2 4.11Å; K340-L420 HydrophobicContact CG-CD1 4.13Å; K340-L420 HydrophobicContact CG-CD2 4.16Å |
| 341 | T | 86.6 | Confident | 88.8 | Confident | 57 Ų | 57 | 25.4 Ų | 25.4 | 35% | 0.35 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 174 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | S338 L339 L343 L344 A345 L454 | S338-T341 WeakPolarHBondContact O-CB 3.39Å; S338-T341 PolarHBondContact O-N 3.25Å; L339-T341 VanDerWaalsContact C-N 3.32Å; T341-L343 VanDerWaalsContact C-N 3.31Å; T341-L343 PolarHBondContact O-N 3.35Å; T341-L344 PolarHBondContact O-N 3.13Å; T341-A345 PolarHBondContact O-N 3.34Å; T341-L454 HydrophobicContact CG2-CB 3.72Å; T341-L454 HydrophobicContact CG2-CD1 3.32Å; T341-L454 HydrophobicContact CG2-CG 4.05Å; T341-L454 WeakPolarHBondContact OG1-CD1 3.49Å |
| 342 | L | 90.3 | Very high | 89 | Confident | 11 Ų | 11 | 24.1 Ų | 24.1 | 6% | 0.058 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 179.6 | -178.4 | 61.3 | 0 | 0 | 0 | 112 | T240 F241 P243 L244 S338 L339 A345 L456 | T240-L342 HydrophobicContact CG2-CD1 4.36Å; F241-L342 HydrophobicContact CD1-CD1 4.05Å; F241-L342 HydrophobicContact CD1-CG 4.46Å; F241-L342 HydrophobicContact CE1-CD1 4.26Å; P243-L342 HydrophobicContact CB-CD2 4.27Å; P243-L342 HydrophobicContact CG-CD2 4.43Å; L244-L342 HydrophobicContact CD1-CD2 4.47Å; L244-L342 HydrophobicContact CD1-CG 4.18Å; L244-L342 HydrophobicContact CD2-CB 4.22Å; L244-L342 HydrophobicContact CD2-CD2 4Å; L244-L342 HydrophobicContact CD2-CG 4.07Å; L244-L342 HydrophobicContact CG-CD2 3.91Å; L244-L342 HydrophobicContact CG-CG 4.1Å; S338-L342 PolarHBondContact O-N 3.4Å; L339-L342 HydrophobicContact CD2-CD2 4.38Å; L339-L342 PolarHBondContact O-N 3.2Å; L342-A345 PolarHBondContact O-N 3.44Å; L342-L456 HydrophobicContact CD1-CD2 4.13Å |
| 343 | L | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 176.7 | 179.7 | 61.5 | 0 | 0 | 0 | 111.9 | L244 F333 L339 K340 T341 A345 T346 L351 L413 Y416 R417 L420 | L244-L343 HydrophobicContact CD1-CD1 4.29Å; L244-L343 HydrophobicContact CD2-CB 4.09Å; F333-L343 HydrophobicContact CE1-CB 3.87Å; F333-L343 HydrophobicContact CE1-CD2 3.68Å; F333-L343 HydrophobicContact CE1-CG 4.42Å; F333-L343 HydrophobicContact CZ-CB 4.35Å; F333-L343 HydrophobicContact CZ-CD2 3.97Å; L339-L343 WeakPolarHBondContact O-CB 3.49Å; L339-L343 PolarHBondContact O-N 2.97Å; K340-L343 PolarHBondContact O-N 3.25Å; T341-L343 VanDerWaalsContact C-N 3.31Å; T341-L343 PolarHBondContact O-N 3.35Å; L343-A345 VanDerWaalsContact C-N 3.28Å; L343-A345 PolarHBondContact O-N 2.79Å; L343-T346 WeakPolarHBondContact O-CB 3.32Å; L343-T346 WeakPolarHBondContact O-CG2 3.29Å; L343-T346 PolarHBondContact O-N 3.49Å; L343-T346 PolarHBondContact O-OG1 3.18Å; L343-L351 HydrophobicContact CD1-CD1 3.56Å; L343-L413 HydrophobicContact CD1-CB 4.05Å; L343-L413 HydrophobicContact CD1-CD2 4.47Å; L343-Y416 HydrophobicContact CD2-CD1 3.71Å; L343-R417 HydrophobicContact CD1-CB 4.18Å; L343-R417 HydrophobicContact CD2-CB 4Å; L343-R417 HydrophobicContact CG-CB 3.89Å; L343-R417 HydrophobicContact CG-CG 4.25Å; L343-L420 HydrophobicContact CD2-CD1 4.13Å |
| 344 | L | 88.8 | Confident | 88.9 | Confident | 33 Ų | 33 | 24.3 Ų | 24.3 | 17% | 0.173 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 176.4 | -70.7 | 172.6 | 0 | 0 | 0 | 112.2 | K340 T341 T346 G347 R417 L420 R421 | K340-L344 WeakPolarHBondContact O-CG 3.5Å; K340-L344 PolarHBondContact O-N 2.84Å; T341-L344 PolarHBondContact O-N 3.13Å; L344-T346 PolarHBondContact O-N 3.17Å; L344-T346 VanDerWaalsContact O-N 3.14Å; L344-G347 PolarHBondContact O-N 3.01Å; L344-G347 VanDerWaalsContact O-N 3.16Å; L344-R417 HydrophobicContact CD2-CG 4.41Å; L344-L420 HydrophobicContact CD2-CB 4.08Å; L344-L420 HydrophobicContact CG-CD1 4.4Å; L344-R421 HydrophobicContact CD2-CG 3.8Å |
| 345 | A | 85.7 | Confident | 88.8 | Confident | 5 Ų | 5 | 22 Ų | 22 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | T341 L342 L343 G347 L454 L456 | T341-A345 PolarHBondContact O-N 3.34Å; L342-A345 PolarHBondContact O-N 3.44Å; L343-A345 VanDerWaalsContact C-N 3.28Å; L343-A345 PolarHBondContact O-N 2.79Å; A345-G347 PolarHBondContact O-N 2.95Å; A345-L454 WeakPolarHBondContact CB-O 3.2Å; A345-L456 HydrophobicContact CB-CD2 3.55Å; A345-L456 HydrophobicContact CB-CG 4.24Å |
| 346 | T | 87.2 | Confident | 88.6 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -9.1 | 174.7 | 69.2 | 0 | 0 | 0 | 0 | 114 | F241 L244 L343 L344 S349 L351 R417 | F241-T346 HydrophobicContact CD1-CG2 3.95Å; F241-T346 HydrophobicContact CE1-CG2 3.84Å; L244-T346 HydrophobicContact CD1-CG2 4.15Å; L343-T346 WeakPolarHBondContact O-CB 3.32Å; L343-T346 WeakPolarHBondContact O-CG2 3.29Å; L343-T346 PolarHBondContact O-N 3.49Å; L343-T346 PolarHBondContact O-OG1 3.18Å; L344-T346 PolarHBondContact O-N 3.17Å; L344-T346 VanDerWaalsContact O-N 3.14Å; T346-S349 WeakPolarHBondContact O-CB 3.43Å; T346-S349 PolarHBondContact O-N 3.09Å; T346-S349 PolarHBondContact O-OG 3.08Å; T346-L351 HydrophobicContact CG2-CD2 3.86Å; T346-R417 PolarHBondContact OG1-NH1 2.88Å |
| 347 | G | 83.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -139.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L344 A345 S349 R417 R421 | L344-G347 PolarHBondContact O-N 3.01Å; L344-G347 VanDerWaalsContact O-N 3.16Å; A345-G347 PolarHBondContact O-N 2.95Å; G347-S349 VanDerWaalsContact C-N 3.31Å; G347-R417 WeakPolarHBondContact O-CD 3.43Å; G347-R417 PolarHBondContact O-NE 3.4Å; G347-R417 PolarHBondContact O-NH1 3.12Å; G347-R421 PolarHBondContact O-NH2 3.3Å |
| 348 | D | 83.2 | Confident | 87.9 | Confident | 32 Ų | 32 | 20.9 Ų | 20.9 | 17% | 0.171 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 16.2 | 179.5 | -63.9 | -23.3 | 0 | 0 | 0 | 113 | T229 I230 S231 R421 | T229-D348 PolarHBondContact OG1-OD1 3.01Å; I230-D348 CarbonylContact C-O 3.41Å; I230-D348 VanDerWaalsContact CA-O 3.25Å; I230-D348 WeakPolarHBondContact CA-O 3.3Å; S231-D348 PolarHBondContact N-O 3.25Å; S231-D348 PolarHBondContact OG-O 3.36Å; D348-R421 IonicContact OD1-CZ 3.86Å; D348-R421 IonicContact OD1-NH1 3.04Å; D348-R421 PolarHBondContact OD1-NH1 2.74Å; D348-R421 IonicContact OD1-NH2 2.67Å; D348-R421 PolarHBondContact OD1-NH2 3.22Å |
| 349 | S | 86.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 145.8 | -179.9 | -49.9 | 0 | 0 | 0 | 0 | 112.2 | Q233 V235 T346 G347 L351 R417 | Q233-S349 WeakPolarHBondContact CB-OG 3.32Å; Q233-S349 CarbonylContact O-C 3.59Å; Q233-S349 VanDerWaalsContact O-CA 3.3Å; Q233-S349 WeakPolarHBondContact O-CA 2.78Å; Q233-S349 PolarHBondContact OE1-OG 3.47Å; Q233-S349 VanDerWaalsContact OE1-OG 3.1Å; V235-S349 VanDerWaalsContact CG2-CB 3.46Å; V235-S349 WeakPolarHBondContact CG2-OG 3.46Å; T346-S349 WeakPolarHBondContact O-CB 3.43Å; T346-S349 PolarHBondContact O-N 3.09Å; T346-S349 PolarHBondContact O-OG 3.08Å; G347-S349 VanDerWaalsContact C-N 3.31Å; S349-L351 PolarHBondContact O-N 3.38Å; S349-R417 PolarHBondContact O-NH1 3.37Å; S349-R417 PolarHBondContact O-NH2 3Å; S349-R417 VanDerWaalsContact O-NH2 3.12Å |
| 350 | L | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 117.7 | 162.6 | 178.4 | 63.1 | 0 | 0 | 0 | 108.8 | I230 Q233 V234 V235 V352 A383 L386 L387 M390 M414 | I230-L350 HydrophobicContact CD1-CB 3.83Å; I230-L350 HydrophobicContact CD1-CD1 4.01Å; I230-L350 HydrophobicContact CD1-CG 4.32Å; I230-L350 HydrophobicContact CG1-CB 4.38Å; Q233-L350 PolarHBondContact O-N 3.1Å; V234-L350 WeakPolarHBondContact CA-O 3.4Å; V234-L350 HydrophobicContact CG1-CD2 4.42Å; V234-L350 HydrophobicContact CG2-CB 4.3Å; V234-L350 HydrophobicContact CG2-CD2 4.3Å; V235-L350 PolarHBondContact N-O 3.37Å; L350-V352 HydrophobicContact CD2-CG2 4.04Å; L350-V352 HydrophobicContact CG-CG2 3.8Å; L350-A383 HydrophobicContact CB-CB 4.28Å; L350-A383 HydrophobicContact CD2-CB 4.25Å; L350-L386 HydrophobicContact CD2-CB 3.95Å; L350-L386 HydrophobicContact CD2-CD1 4.33Å; L350-L387 HydrophobicContact CD1-CB 4.22Å; L350-L387 HydrophobicContact CD1-CD1 4.15Å; L350-M390 HydrophobicContact CD1-SD 4.36Å; L350-M414 HydrophobicContact CD1-CE 4.26Å; L350-M414 HydrophobicContact CD1-SD 3.87Å |
| 351 | L | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.2 | 178.8 | -56.3 | -175.8 | 0 | 0 | 0 | 109.6 | V235 L237 L343 T346 S349 N407 G410 L413 M414 | V235-L351 HydrophobicContact CB-CD2 4.03Å; V235-L351 HydrophobicContact CG1-CD2 4.22Å; L237-L351 HydrophobicContact CD2-CB 4.32Å; L343-L351 HydrophobicContact CD1-CD1 3.56Å; T346-L351 HydrophobicContact CG2-CD2 3.86Å; S349-L351 PolarHBondContact O-N 3.38Å; L351-N407 PolarHBondContact O-ND2 3.38Å; L351-G410 WeakPolarHBondContact O-CA 3.34Å; L351-L413 HydrophobicContact CD1-CB 3.74Å; L351-M414 HydrophobicContact CB-CG 4.04Å; L351-M414 HydrophobicContact CB-SD 4.38Å; L351-M414 HydrophobicContact CD1-CG 3.91Å; L351-M414 HydrophobicContact CG-CG 3.8Å |
| 352 | V | 93.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.6 | -173.6 | -170.3 | 0 | 0 | 0 | 0 | 111.9 | V234 V235 S236 L237 L350 T354 V365 L372 N407 | V234-V352 HydrophobicContact CG1-CB 4.38Å; V234-V352 HydrophobicContact CG1-CG2 3.53Å; V235-V352 PolarHBondContact O-N 3.41Å; S236-V352 CarbonylContact C-O 3.49Å; S236-V352 VanDerWaalsContact CA-O 3.26Å; S236-V352 WeakPolarHBondContact CA-O 3.12Å; L237-V352 PolarHBondContact N-O 3.42Å; L350-V352 HydrophobicContact CD2-CG2 4.04Å; L350-V352 HydrophobicContact CG-CG2 3.8Å; V352-T354 HydrophobicContact CG1-CG2 4.11Å; V352-V365 HydrophobicContact CG1-CB 3.42Å; V352-V365 VanDerWaalsContact CG1-CB 3.42Å; V352-V365 HydrophobicContact CG1-CG1 3.39Å; V352-V365 HydrophobicContact CG1-CG2 3.91Å; V352-L372 HydrophobicContact CB-CD2 3.94Å; V352-L372 HydrophobicContact CG1-CD2 3.7Å; V352-L372 HydrophobicContact CG2-CD2 4.27Å; V352-N407 WeakPolarHBondContact CA-OD1 3.44Å |
| 353 | E | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -83.9 | 120.2 | 174.3 | 178.4 | 65.3 | -91.7 | 0 | 0 | 110.3 | L237 S245 F247 I355 L363 S364 V365 N407 S409 | L237-E353 HydrophobicContact CD1-CB 4.05Å; S245-E353 WeakPolarHBondContact CB-OE2 3.3Å; S245-E353 PolarHBondContact OG-OE1 3.27Å; S245-E353 PolarHBondContact OG-OE2 2.93Å; F247-E353 HydrophobicContact CD2-CG 4.06Å; F247-E353 HydrophobicContact CE2-CG 4.03Å; E353-I355 WeakPolarHBondContact OE1-CB 3.4Å; E353-I355 WeakPolarHBondContact OE1-CD1 3.15Å; E353-I355 VanDerWaalsContact OE1-CG1 3.3Å; E353-I355 WeakPolarHBondContact OE1-CG1 3.45Å; E353-I355 PolarHBondContact OE1-N 2.87Å; E353-L363 WeakPolarHBondContact CB-O 3.35Å; E353-S364 WeakPolarHBondContact O-CA 3.37Å; E353-S364 PolarHBondContact O-OG 2.85Å; E353-V365 WeakPolarHBondContact O-CG1 3.47Å; E353-V365 PolarHBondContact O-N 2.84Å; E353-N407 PolarHBondContact N-OD1 3.04Å; E353-S409 PolarHBondContact OE2-OG 3.29Å | ||
| 354 | T | 90.6 | Very high | 86.7 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.043 | 10% | 0.101 | C | C | . | . | trans | -125.4 | -5.6 | -173.8 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | T238 V352 C356 G357 V365 L367 L372 | T238-T354 WeakPolarHBondContact CG2-OG1 3.43Å; V352-T354 HydrophobicContact CG1-CG2 4.11Å; T354-C356 VanDerWaalsContact C-N 3.31Å; T354-C356 PolarHBondContact O-N 2.77Å; T354-G357 PolarHBondContact O-N 2.73Å; T354-V365 HydrophobicContact CG2-CG1 4.05Å; T354-L367 WeakPolarHBondContact CA-O 3.44Å; T354-L367 WeakPolarHBondContact CB-O 3.27Å; T354-L372 HydrophobicContact CG2-CD2 3.93Å | ||
| 355 | I | 86.5 | Confident | 86.7 | Confident | 28 Ų | 28 | 17 Ų | 17 | 14% | 0.144 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -39.5 | -170 | -68.8 | 164.5 | 0 | 0 | 0 | 112.4 | L237 T238 F242 S245 F247 A291 E353 G357 | L237-I355 WeakPolarHBondContact O-CD1 3.05Å; T238-I355 HydrophobicContact CG2-CG1 3.74Å; F242-I355 HydrophobicContact CD2-CD1 3.47Å; F242-I355 VanDerWaalsContact CD2-CD1 3.47Å; F242-I355 HydrophobicContact CD2-CG1 4.44Å; F242-I355 HydrophobicContact CE2-CD1 3.46Å; F242-I355 VanDerWaalsContact CE2-CD1 3.46Å; F242-I355 HydrophobicContact CE2-CG1 4.46Å; S245-I355 VanDerWaalsContact CB-CD1 3.46Å; S245-I355 WeakPolarHBondContact OG-CD1 3.49Å; F247-I355 HydrophobicContact CB-CD1 4.39Å; F247-I355 HydrophobicContact CB-CG2 4.4Å; A291-I355 HydrophobicContact CB-CG2 3.57Å; E353-I355 WeakPolarHBondContact OE1-CB 3.4Å; E353-I355 WeakPolarHBondContact OE1-CD1 3.15Å; E353-I355 VanDerWaalsContact OE1-CG1 3.3Å; E353-I355 WeakPolarHBondContact OE1-CG1 3.45Å; E353-I355 PolarHBondContact OE1-N 2.87Å; I355-G357 VanDerWaalsContact C-N 3.26Å; I355-G357 PolarHBondContact O-N 3.44Å |
| 356 | C | 84.2 | Confident | 86.7 | Confident | 11 Ų | 11 | 16.8 Ų | 16.8 | 7% | 0.074 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -8.5 | -179.4 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | F247 A291 P294 T354 Q358 S359 D360 | F247-C356 WeakPolarHBondContact CZ-SG 3.49Å; A291-C356 PolarHBondContact O-SG 2.91Å; A291-C356 VanDerWaalsContact O-SG 3.39Å; P294-C356 HydrophobicContact CG-CB 4.45Å; T354-C356 VanDerWaalsContact C-N 3.31Å; T354-C356 PolarHBondContact O-N 2.77Å; C356-Q358 PolarHBondContact O-N 3.28Å; C356-S359 WeakPolarHBondContact O-CB 3.35Å; C356-S359 PolarHBondContact O-N 3.16Å; C356-S359 PolarHBondContact O-OG 3.14Å; C356-D360 HydrophobicContact CB-CB 3.69Å |
| 357 | G | 82 | Confident | 86.6 | Confident | 15 Ų | 15 | 17.5 Ų | 17.5 | 16% | 0.155 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | 48.8 | -132.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T354 I355 S359 G366 | T354-G357 PolarHBondContact O-N 2.73Å; I355-G357 VanDerWaalsContact C-N 3.26Å; I355-G357 PolarHBondContact O-N 3.44Å; G357-S359 PolarHBondContact O-N 3.43Å; G357-G366 CarbonylContact C-O 3.46Å; G357-G366 CarbonylContact O-C 2.96Å; G357-G366 VanDerWaalsContact O-C 3.29Å; G357-G366 WeakPolarHBondContact O-CA 3.42Å |
| 358 | Q | 79.6 | Confident | 86.6 | Confident | 155 Ų | 155 | 19.3 Ų | 19.3 | 72% | 0.724 | 11% | 0.108 | S | C | * | . | G | 310 helix | trans | -71.1 | -10.8 | -179.4 | -64.7 | 176.5 | 4.9 | 0 | 0 | 114.5 | C356 D360 G366 | C356-Q358 PolarHBondContact O-N 3.28Å; Q358-D360 PolarHBondContact O-N 3.41Å; Q358-G366 VanDerWaalsContact CA-O 3.3Å; Q358-G366 WeakPolarHBondContact CA-O 3.19Å; Q358-G366 VanDerWaalsContact CG-O 3.27Å; Q358-G366 WeakPolarHBondContact CG-O 3.41Å; Q358-G366 PolarHBondContact N-O 2.86Å |
| 359 | S | 79 | Confident | 86.5 | Confident | 39 Ų | 39 | 19.5 Ų | 19.5 | 27% | 0.273 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -75.2 | -10.8 | -177.4 | 68.2 | 0 | 0 | 0 | 0 | 114.1 | P294 Q295 C356 G357 | P294-S359 VanDerWaalsContact CB-O 3.22Å; P294-S359 WeakPolarHBondContact CB-O 3.41Å; Q295-S359 VanDerWaalsContact CG-CB 3.49Å; C356-S359 WeakPolarHBondContact O-CB 3.35Å; C356-S359 PolarHBondContact O-N 3.16Å; C356-S359 PolarHBondContact O-OG 3.14Å; G357-S359 PolarHBondContact O-N 3.43Å |
| 360 | D | 83.6 | Confident | 85.9 | Confident | 13 Ų | 13 | 21.7 Ų | 21.7 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | trans | -141.4 | 122.9 | 175.6 | 177.4 | 41.4 | 0 | 0 | 0 | 110.7 | P294 C356 Q358 F362 L363 S364 G366 | P294-D360 HydrophobicContact CB-CB 3.85Å; P294-D360 HydrophobicContact CG-CB 3.76Å; C356-D360 HydrophobicContact CB-CB 3.69Å; Q358-D360 PolarHBondContact O-N 3.41Å; D360-F362 WeakPolarHBondContact OD1-CB 3.1Å; D360-F362 PolarHBondContact OD1-N 3.43Å; D360-L363 PolarHBondContact OD1-N 2.89Å; D360-L363 VanDerWaalsContact OD2-CA 3.29Å; D360-L363 WeakPolarHBondContact OD2-CA 3.48Å; D360-L363 WeakPolarHBondContact OD2-CB 3.45Å; D360-L363 PolarHBondContact OD2-N 3.28Å; D360-S364 VanDerWaalsContact O-CB 3.25Å; D360-S364 WeakPolarHBondContact O-CB 3.2Å; D360-S364 PolarHBondContact O-OG 2.93Å; D360-S364 VanDerWaalsContact OD2-CB 3.23Å; D360-S364 WeakPolarHBondContact OD2-CB 3.25Å; D360-S364 PolarHBondContact OD2-N 2.81Å; D360-G366 WeakPolarHBondContact O-CA 3.34Å; D360-G366 PolarHBondContact O-N 3.33Å | ||
| 361 | L | 82.6 | Confident | 85.5 | Confident | 35 Ų | 35 | 24.8 Ų | 24.8 | 18% | 0.183 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -107.2 | 4.9 | 174 | -60.1 | -178.8 | 0 | 0 | 0 | 111.8 | S364 G405 L406 N918 | L361-S364 CarbonylContact C-O 3.32Å; L361-G405 CarbonylContact O-C 3.41Å; L361-G405 WeakPolarHBondContact O-CA 3.33Å; L361-L406 PolarHBondContact O-N 2.7Å; L361-N918 HydrophobicContact CD1-CB 4.05Å |
| 362 | F | 86.1 | Confident | 85 | Confident | 16 Ų | 16 | 24.9 Ų | 24.9 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -104.1 | -66.2 | -176.5 | -173.9 | -99.5 | 0 | 0 | 0 | 112.3 | L313 R318 F321 D360 S364 L406 N407 Y408 | L313-F362 HydrophobicContact CB-CD2 4.21Å; L313-F362 HydrophobicContact CB-CE2 4.35Å; L313-F362 HydrophobicContact CB-CG 4.49Å; L313-F362 HydrophobicContact CD1-CD1 4.01Å; L313-F362 HydrophobicContact CD1-CE1 4.44Å; L313-F362 HydrophobicContact CD1-CG 4.16Å; R318-F362 HydrophobicContact CG-CE2 3.66Å; R318-F362 HydrophobicContact CG-CZ 3.94Å; F321-F362 AromaticContact CD1-CE1 3.62Å; F321-F362 HydrophobicContact CD1-CE1 3.62Å; F321-F362 HydrophobicContact CD1-CZ 4.28Å; F321-F362 HydrophobicContact CE1-CD1 4.39Å; F321-F362 AromaticContact CE1-CE1 3.77Å; F321-F362 HydrophobicContact CE1-CE1 3.77Å; F321-F362 HydrophobicContact CG-CE1 4.2Å; F321-F362 HydrophobicContact CZ-CE1 4.44Å; D360-F362 WeakPolarHBondContact OD1-CB 3.1Å; D360-F362 PolarHBondContact OD1-N 3.43Å; F362-S364 VanDerWaalsContact C-N 3.34Å; F362-L406 HydrophobicContact CD2-CD1 4.16Å; F362-L406 HydrophobicContact CE2-CD1 4.44Å; F362-N407 PolarHBondContact O-N 3.19Å; F362-Y408 HydrophobicContact CD1-CD2 4.43Å; F362-Y408 HydrophobicContact CD2-CD2 4.03Å; F362-Y408 HydrophobicContact CD2-CE2 4.27Å; F362-Y408 HydrophobicContact CE1-CD2 4.07Å; F362-Y408 HydrophobicContact CE1-CG 4.42Å; F362-Y408 AromaticContact CE2-CD2 3.62Å; F362-Y408 HydrophobicContact CE2-CD2 3.62Å; F362-Y408 AromaticContact CE2-CE2 3.63Å; F362-Y408 HydrophobicContact CE2-CE2 3.63Å; F362-Y408 HydrophobicContact CG-CD2 4.41Å; F362-Y408 AromaticContact CZ-CD2 3.64Å; F362-Y408 HydrophobicContact CZ-CD2 3.64Å; F362-Y408 AromaticContact CZ-CE2 3.91Å; F362-Y408 HydrophobicContact CZ-CE2 3.91Å; F362-Y408 HydrophobicContact CZ-CG 4.25Å; F362-Y408 WeakPolarHBondContact O-CD2 3.33Å; F362-Y408 PolarHBondContact O-N 3.1Å |
| 363 | L | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -75.9 | -28.9 | 176.3 | -68.7 | 178.1 | 0 | 0 | 0 | 111.7 | F247 F267 F321 L325 E353 D360 N407 Y408 S409 | F247-L363 HydrophobicContact CE1-CD1 4.44Å; F247-L363 HydrophobicContact CE2-CB 3.86Å; F247-L363 HydrophobicContact CE2-CD1 4.14Å; F247-L363 HydrophobicContact CZ-CB 3.98Å; F247-L363 HydrophobicContact CZ-CD1 3.73Å; F247-L363 HydrophobicContact CZ-CG 4.46Å; F267-L363 HydrophobicContact CE2-CD1 3.94Å; F267-L363 HydrophobicContact CZ-CD1 3.79Å; F321-L363 HydrophobicContact CE1-CD2 3.93Å; F321-L363 HydrophobicContact CE1-CG 4.45Å; F321-L363 HydrophobicContact CZ-CD1 4.4Å; L325-L363 HydrophobicContact CD1-CD2 4.19Å; L325-L363 HydrophobicContact CD2-CD2 3.69Å; E353-L363 WeakPolarHBondContact CB-O 3.35Å; D360-L363 PolarHBondContact OD1-N 2.89Å; D360-L363 VanDerWaalsContact OD2-CA 3.29Å; D360-L363 WeakPolarHBondContact OD2-CA 3.48Å; D360-L363 WeakPolarHBondContact OD2-CB 3.45Å; D360-L363 PolarHBondContact OD2-N 3.28Å; L363-N407 CarbonylContact O-C 3.54Å; L363-N407 WeakPolarHBondContact O-CA 3.31Å; L363-Y408 PolarHBondContact O-N 2.97Å; L363-S409 WeakPolarHBondContact O-CB 3.41Å; L363-S409 PolarHBondContact O-N 3.39Å |
| 364 | S | 90.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -102.7 | 162.2 | -177.9 | 169.8 | 0 | 0 | 0 | 0 | 112.7 | E353 D360 L361 F362 G366 G405 N407 | E353-S364 WeakPolarHBondContact O-CA 3.37Å; E353-S364 PolarHBondContact O-OG 2.85Å; D360-S364 VanDerWaalsContact O-CB 3.25Å; D360-S364 WeakPolarHBondContact O-CB 3.2Å; D360-S364 PolarHBondContact O-OG 2.93Å; D360-S364 VanDerWaalsContact OD2-CB 3.23Å; D360-S364 WeakPolarHBondContact OD2-CB 3.25Å; D360-S364 PolarHBondContact OD2-N 2.81Å; L361-S364 CarbonylContact C-O 3.32Å; F362-S364 VanDerWaalsContact C-N 3.34Å; S364-G366 PolarHBondContact OG-N 3.05Å; S364-G405 CarbonylContact O-C 3.13Å; S364-G405 WeakPolarHBondContact O-CA 3.38Å; S364-N407 PolarHBondContact O-N 3.14Å |
| 365 | V | 88.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -78.3 | -5 | 173 | 74.9 | 0 | 0 | 0 | 0 | 113.2 | V352 E353 T354 L367 L372 M390 I404 G405 N407 | V352-V365 HydrophobicContact CG1-CB 3.42Å; V352-V365 VanDerWaalsContact CG1-CB 3.42Å; V352-V365 HydrophobicContact CG1-CG1 3.39Å; V352-V365 HydrophobicContact CG1-CG2 3.91Å; E353-V365 WeakPolarHBondContact O-CG1 3.47Å; E353-V365 PolarHBondContact O-N 2.84Å; T354-V365 HydrophobicContact CG2-CG1 4.05Å; V365-L367 HydrophobicContact CG1-CB 3.91Å; V365-L367 HydrophobicContact CG1-CG 4.48Å; V365-L367 PolarHBondContact O-N 2.76Å; V365-L372 HydrophobicContact CG2-CD1 4.49Å; V365-M390 HydrophobicContact CG2-CE 3.7Å; V365-I404 HydrophobicContact CG2-CG2 4.17Å; V365-G405 VanDerWaalsContact C-N 3.34Å; V365-G405 PolarHBondContact O-N 3.27Å; V365-N407 HydrophobicContact CB-CB 4.34Å | ||
| 366 | G | 85.6 | Confident | 82 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 79.7 | -0.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G357 Q358 D360 S364 | G357-G366 CarbonylContact C-O 3.46Å; G357-G366 CarbonylContact O-C 2.96Å; G357-G366 VanDerWaalsContact O-C 3.29Å; G357-G366 WeakPolarHBondContact O-CA 3.42Å; Q358-G366 VanDerWaalsContact CA-O 3.3Å; Q358-G366 WeakPolarHBondContact CA-O 3.19Å; Q358-G366 VanDerWaalsContact CG-O 3.27Å; Q358-G366 WeakPolarHBondContact CG-O 3.41Å; Q358-G366 PolarHBondContact N-O 2.86Å; D360-G366 WeakPolarHBondContact O-CA 3.34Å; D360-G366 PolarHBondContact O-N 3.33Å; S364-G366 PolarHBondContact OG-N 3.05Å |
| 367 | L | 85.9 | Confident | 81.2 | Confident | 15 Ų | 15 | 28.6 Ų | 28.6 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -119.2 | 144 | -176.9 | -59.8 | -177.3 | 0 | 0 | 0 | 109.6 | T354 V365 D371 L372 F375 I404 | T354-L367 WeakPolarHBondContact CA-O 3.44Å; T354-L367 WeakPolarHBondContact CB-O 3.27Å; V365-L367 HydrophobicContact CG1-CB 3.91Å; V365-L367 HydrophobicContact CG1-CG 4.48Å; V365-L367 PolarHBondContact O-N 2.76Å; L367-D371 HydrophobicContact CB-CB 3.92Å; L367-D371 HydrophobicContact CD2-CB 4.06Å; L367-D371 HydrophobicContact CG-CB 4.43Å; L367-L372 HydrophobicContact CB-CB 4.14Å; L367-L372 HydrophobicContact CD1-CB 4.32Å; L367-L372 HydrophobicContact CD1-CD1 4.25Å; L367-F375 HydrophobicContact CD1-CB 4.19Å; L367-F375 HydrophobicContact CD1-CG 4.41Å; L367-I404 HydrophobicContact CD1-CD1 3.53Å; L367-I404 HydrophobicContact CD2-CD1 4.49Å; L367-I404 HydrophobicContact CG-CD1 4.09Å |
| 368 | S | 83.5 | Confident | 80.5 | Confident | 38 Ų | 38 | 32.3 Ų | 32.3 | 27% | 0.266 | 17% | 0.166 | S | C | . | . | trans | -64.2 | 163 | 162.4 | 70.6 | 0 | 0 | 0 | 0 | 109.8 | N370 D371 L372 | S368-N370 PolarHBondContact O-N 3.03Å; S368-D371 WeakPolarHBondContact CB-OD2 3.49Å; S368-D371 PolarHBondContact N-OD2 3.47Å; S368-D371 PolarHBondContact O-N 3.04Å; S368-D371 PolarHBondContact OG-N 3.43Å; S368-D371 VanDerWaalsContact OG-N 3.08Å; S368-D371 PolarHBondContact OG-OD2 3.12Å; S368-L372 WeakPolarHBondContact O-CB 3.05Å; S368-L372 PolarHBondContact O-N 3.31Å | ||
| 369 | E | 80.8 | Confident | 79.5 | Confident | 37 Ų | 37 | 29.5 Ų | 29.5 | 17% | 0.173 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.6 | -40.8 | 173.8 | -177.5 | 166.3 | -170.1 | 0 | 0 | 111 | T238 L372 H373 S595 | T238-E369 PolarHBondContact OG1-OE2 3.12Å; E369-L372 PolarHBondContact O-N 2.96Å; E369-H373 PolarHBondContact O-CD2 3.2Å; E369-H373 PolarHBondContact O-N 3.01Å; E369-H373 IonicContact OE1-NE2 2.82Å; E369-S595 WeakPolarHBondContact OE1-CB 3.31Å; E369-S595 PolarHBondContact OE1-N 2.9Å; E369-S595 PolarHBondContact OE1-OG 3.19Å; E369-S595 PolarHBondContact OE2-OG 3.36Å |
| 370 | N | 74.5 | Confident | 79.1 | Confident | 46 Ų | 46 | 32.8 Ų | 32.8 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68 | -41.2 | 178.2 | -71.8 | -22.9 | 0 | 0 | 0 | 113.7 | S368 H373 S374 D683 | S368-N370 PolarHBondContact O-N 3.03Å; N370-H373 PolarHBondContact O-N 3.31Å; N370-S374 WeakPolarHBondContact O-CB 3.26Å; N370-S374 PolarHBondContact O-N 3.35Å; N370-S374 PolarHBondContact O-OG 3.34Å; N370-D683 PolarHBondContact OD1-OD2 3.01Å |
| 371 | D | 81.4 | Confident | 78.9 | Confident | 65 Ų | 65 | 32.2 Ų | 32.2 | 35% | 0.348 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 176.6 | -64.1 | -45.8 | 0 | 0 | 0 | 111.2 | L367 S368 S374 F375 | L367-D371 HydrophobicContact CB-CB 3.92Å; L367-D371 HydrophobicContact CD2-CB 4.06Å; L367-D371 HydrophobicContact CG-CB 4.43Å; S368-D371 WeakPolarHBondContact CB-OD2 3.49Å; S368-D371 PolarHBondContact N-OD2 3.47Å; S368-D371 PolarHBondContact O-N 3.04Å; S368-D371 PolarHBondContact OG-N 3.43Å; S368-D371 VanDerWaalsContact OG-N 3.08Å; S368-D371 PolarHBondContact OG-OD2 3.12Å; D371-S374 WeakPolarHBondContact O-CB 3.45Å; D371-S374 PolarHBondContact O-N 2.82Å; D371-F375 WeakPolarHBondContact O-CB 3.49Å; D371-F375 PolarHBondContact O-N 2.83Å |
| 372 | L | 83.2 | Confident | 78.6 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.1 | 178.4 | 63.7 | 0 | 0 | 0 | 110.7 | V234 V352 T354 V365 L367 S368 E369 F375 L376 L386 | V234-L372 HydrophobicContact CG1-CD2 4.08Å; V352-L372 HydrophobicContact CB-CD2 3.94Å; V352-L372 HydrophobicContact CG1-CD2 3.7Å; V352-L372 HydrophobicContact CG2-CD2 4.27Å; T354-L372 HydrophobicContact CG2-CD2 3.93Å; V365-L372 HydrophobicContact CG2-CD1 4.49Å; L367-L372 HydrophobicContact CB-CB 4.14Å; L367-L372 HydrophobicContact CD1-CB 4.32Å; L367-L372 HydrophobicContact CD1-CD1 4.25Å; S368-L372 WeakPolarHBondContact O-CB 3.05Å; S368-L372 PolarHBondContact O-N 3.31Å; E369-L372 PolarHBondContact O-N 2.96Å; L372-F375 WeakPolarHBondContact O-CB 3.29Å; L372-F375 PolarHBondContact O-N 3.17Å; L372-L376 HydrophobicContact CD1-CD1 4.35Å; L372-L376 HydrophobicContact CD1-CG 4.5Å; L372-L376 HydrophobicContact CG-CD1 4.11Å; L372-L376 WeakPolarHBondContact O-CG 3.25Å; L372-L376 PolarHBondContact O-N 2.7Å; L372-L386 HydrophobicContact CD1-CD1 4.14Å |
| 373 | H | 74.2 | Confident | 78.4 | Confident | 29 Ų | 29 | 30.9 Ų | 30.9 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -47.7 | 173.9 | -75.3 | -56.5 | 0 | 0 | 0 | 111.6 | E369 N370 F375 L376 I377 | E369-H373 PolarHBondContact O-CD2 3.2Å; E369-H373 PolarHBondContact O-N 3.01Å; E369-H373 IonicContact OE1-NE2 2.82Å; N370-H373 PolarHBondContact O-N 3.31Å; H373-F375 PolarHBondContact O-N 2.81Å; H373-L376 PolarHBondContact O-N 2.99Å; H373-L376 VanDerWaalsContact O-N 3.08Å; H373-I377 WeakPolarHBondContact O-CG1 3.39Å; H373-I377 PolarHBondContact O-N 3.1Å |
| 374 | S | 72.9 | Confident | 78.1 | Confident | 35 Ų | 35 | 33.4 Ų | 33.4 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57 | -33.7 | 177 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | N370 D371 L693 | N370-S374 WeakPolarHBondContact O-CB 3.26Å; N370-S374 PolarHBondContact O-N 3.35Å; N370-S374 PolarHBondContact O-OG 3.34Å; D371-S374 WeakPolarHBondContact O-CB 3.45Å; D371-S374 PolarHBondContact O-N 2.82Å; S374-L693 VanDerWaalsContact OG-CD1 3.29Å; S374-L693 WeakPolarHBondContact OG-CD1 3.23Å |
| 375 | F | 78.6 | Confident | 77.8 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.8 | -42.1 | 177 | -167.1 | -104.2 | 0 | 0 | 0 | 112.7 | L367 D371 L372 H373 I377 R378 I381 L386 W389 Y400 I404 | L367-F375 HydrophobicContact CD1-CB 4.19Å; L367-F375 HydrophobicContact CD1-CG 4.41Å; D371-F375 WeakPolarHBondContact O-CB 3.49Å; D371-F375 PolarHBondContact O-N 2.83Å; L372-F375 WeakPolarHBondContact O-CB 3.29Å; L372-F375 PolarHBondContact O-N 3.17Å; H373-F375 PolarHBondContact O-N 2.81Å; F375-I377 VanDerWaalsContact C-N 3.3Å; F375-I377 PolarHBondContact O-N 3.21Å; F375-R378 VanDerWaalsContact CE2-NH1 3.27Å; F375-R378 WeakPolarHBondContact O-CB 3.24Å; F375-R378 WeakPolarHBondContact O-CG 3.35Å; F375-R378 PolarHBondContact O-N 3.34Å; F375-I381 HydrophobicContact CD1-CG1 4.38Å; F375-I381 HydrophobicContact CD1-CG2 3.66Å; F375-I381 HydrophobicContact CE1-CB 4.35Å; F375-I381 HydrophobicContact CE1-CD1 3.78Å; F375-I381 HydrophobicContact CE1-CG1 3.92Å; F375-I381 HydrophobicContact CE1-CG2 3.5Å; F375-I381 HydrophobicContact CZ-CD1 3.72Å; F375-I381 HydrophobicContact CZ-CG1 4.1Å; F375-I381 HydrophobicContact CZ-CG2 4.48Å; F375-L386 HydrophobicContact CD1-CD2 4.07Å; F375-L386 HydrophobicContact CE1-CD2 3.68Å; F375-W389 AromaticContact CE1-CZ3 3.83Å; F375-W389 HydrophobicContact CE1-CZ3 3.83Å; F375-W389 HydrophobicContact CZ-CH2 4.24Å; F375-W389 AromaticContact CZ-CZ3 3.72Å; F375-W389 HydrophobicContact CZ-CZ3 3.72Å; F375-Y400 AromaticContact CE2-CD1 3.83Å; F375-Y400 HydrophobicContact CE2-CD1 3.83Å; F375-Y400 AromaticContact CE2-CE1 3.7Å; F375-Y400 HydrophobicContact CE2-CE1 3.7Å; F375-Y400 HydrophobicContact CZ-CD1 4.04Å; F375-Y400 HydrophobicContact CZ-CE1 4.08Å; F375-Y400 HydrophobicContact CZ-CG 4.33Å; F375-I404 HydrophobicContact CD1-CD1 4.27Å; F375-I404 HydrophobicContact CE1-CD1 4.07Å; F375-I404 HydrophobicContact CE2-CD1 4.36Å; F375-I404 HydrophobicContact CZ-CD1 4.12Å; F375-I404 HydrophobicContact CZ-CG1 4.32Å |
| 376 | L | 74.9 | Confident | 77.7 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.3 | -20.9 | -179.9 | -74.2 | 168.5 | 0 | 0 | 0 | 114.2 | V234 L372 H373 R378 I381 L386 P697 | V234-L376 HydrophobicContact CB-CD1 3.89Å; V234-L376 HydrophobicContact CG1-CD1 4.08Å; V234-L376 HydrophobicContact CG2-CD1 3.8Å; V234-L376 HydrophobicContact CG2-CD2 4.13Å; L372-L376 HydrophobicContact CD1-CD1 4.35Å; L372-L376 HydrophobicContact CD1-CG 4.5Å; L372-L376 HydrophobicContact CG-CD1 4.11Å; L372-L376 WeakPolarHBondContact O-CG 3.25Å; L372-L376 PolarHBondContact O-N 2.7Å; H373-L376 PolarHBondContact O-N 2.99Å; H373-L376 VanDerWaalsContact O-N 3.08Å; L376-R378 PolarHBondContact O-N 2.92Å; L376-I381 HydrophobicContact CD2-CG2 4.16Å; L376-L386 HydrophobicContact CD2-CD1 3.58Å; L376-L386 HydrophobicContact CG-CD1 4.34Å; L376-P697 HydrophobicContact CB-CG 4.34Å |
| 377 | I | 67.5 | Low | 77.8 | Confident | 35 Ų | 35 | 36.1 Ų | 36.1 | 18% | 0.179 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.4 | 173.5 | -64.2 | 160.5 | 0 | 0 | 0 | 111.3 | H373 F375 S695 P697 | H373-I377 WeakPolarHBondContact O-CG1 3.39Å; H373-I377 PolarHBondContact O-N 3.1Å; F375-I377 VanDerWaalsContact C-N 3.3Å; F375-I377 PolarHBondContact O-N 3.21Å; I377-S695 WeakPolarHBondContact CD1-O 3.49Å; I377-P697 HydrophobicContact CG1-CG 4.15Å |
| 378 | R | 68.5 | Low | 77.7 | Confident | 94 Ų | 94 | 37.5 Ų | 37.5 | 36% | 0.355 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -62.8 | 130 | -175 | -66.2 | 176 | -179.9 | 176.5 | 0.8 | 110.1 | F375 L376 H380 I381 | F375-R378 VanDerWaalsContact CE2-NH1 3.27Å; F375-R378 WeakPolarHBondContact O-CB 3.24Å; F375-R378 WeakPolarHBondContact O-CG 3.35Å; F375-R378 PolarHBondContact O-N 3.34Å; L376-R378 PolarHBondContact O-N 2.92Å; R378-H380 PolarHBondContact O-N 3.13Å; R378-H380 VanDerWaalsContact O-N 3.1Å; R378-I381 HydrophobicContact CB-CB 4.2Å; R378-I381 HydrophobicContact CB-CG1 3.64Å; R378-I381 PolarHBondContact O-N 2.73Å |
| 379 | P | 57.3 | Low | 77.7 | Confident | 95 Ų | 95 | 36.2 Ų | 36.2 | 62% | 0.617 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -27.4 | -171 | 22.4 | -33.3 | 0 | 0 | 0 | 113.5 | V701 K705 | P379-V701 HydrophobicContact CB-CG1 4.41Å; P379-K705 WeakPolarHBondContact O-CE 3.39Å |
| 380 | H | 71.1 | Confident | 77.9 | Confident | 108 Ų | 108 | 34.6 Ų | 34.6 | 50% | 0.5 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -4.6 | 178.6 | 58.5 | -83.7 | 0 | 0 | 0 | 113.9 | R378 L385 | R378-H380 PolarHBondContact O-N 3.13Å; R378-H380 VanDerWaalsContact O-N 3.1Å; H380-L385 WeakPolarHBondContact O-CD2 3.49Å |
| 381 | I | 79.2 | Confident | 78.2 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -99.6 | 118.6 | 180 | -55.6 | -59.8 | 0 | 0 | 0 | 108.9 | F375 L376 R378 L385 L386 W389 K705 | F375-I381 HydrophobicContact CD1-CG1 4.38Å; F375-I381 HydrophobicContact CD1-CG2 3.66Å; F375-I381 HydrophobicContact CE1-CB 4.35Å; F375-I381 HydrophobicContact CE1-CD1 3.78Å; F375-I381 HydrophobicContact CE1-CG1 3.92Å; F375-I381 HydrophobicContact CE1-CG2 3.5Å; F375-I381 HydrophobicContact CZ-CD1 3.72Å; F375-I381 HydrophobicContact CZ-CG1 4.1Å; F375-I381 HydrophobicContact CZ-CG2 4.48Å; L376-I381 HydrophobicContact CD2-CG2 4.16Å; R378-I381 HydrophobicContact CB-CB 4.2Å; R378-I381 HydrophobicContact CB-CG1 3.64Å; R378-I381 PolarHBondContact O-N 2.73Å; I381-L385 HydrophobicContact CD1-CD2 3.99Å; I381-L386 HydrophobicContact CG2-CD2 4.32Å; I381-L386 HydrophobicContact CG2-CG 4.16Å; I381-W389 HydrophobicContact CD1-CH2 3.55Å; I381-W389 HydrophobicContact CD1-CZ3 4.04Å; I381-K705 PolarHBondContact O-NZ 3.15Å | ||
| 382 | S | 75.6 | Confident | 78.1 | Confident | 23 Ų | 23 | 35.9 Ų | 35.9 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | trans | -118.5 | 163.6 | 174.4 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | E232 S384 L385 L386 | E232-S382 WeakPolarHBondContact OE2-CB 3.49Å; S382-S384 PolarHBondContact O-N 3.35Å; S382-L385 PolarHBondContact O-N 2.93Å; S382-L385 WeakPolarHBondContact OG-CB 3.4Å; S382-L385 PolarHBondContact OG-N 3.3Å; S382-L386 PolarHBondContact O-N 2.98Å | ||
| 383 | A | 83.2 | Confident | 77.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I230 E232 V234 L350 L385 L386 L387 | I230-A383 HydrophobicContact CD1-CB 4.09Å; I230-A383 HydrophobicContact CG1-CB 4.47Å; E232-A383 PolarHBondContact OE2-N 2.86Å; V234-A383 HydrophobicContact CG2-CB 3.78Å; L350-A383 HydrophobicContact CB-CB 4.28Å; L350-A383 HydrophobicContact CD2-CB 4.25Å; A383-L385 PolarHBondContact O-N 2.86Å; A383-L386 PolarHBondContact O-N 3.2Å; A383-L387 WeakPolarHBondContact O-CB 3.23Å; A383-L387 PolarHBondContact O-N 2.9Å |
| 384 | S | 82.8 | Confident | 77.7 | Confident | 52 Ų | 52 | 43 Ų | 43 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 175 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | E232 S382 L387 S388 | E232-S384 PolarHBondContact OE1-OG 3.49Å; S382-S384 PolarHBondContact O-N 3.35Å; S384-L387 PolarHBondContact O-N 3.18Å; S384-S388 PolarHBondContact O-N 3.42Å |
| 385 | L | 84.2 | Confident | 78 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -45 | 176.6 | -178.1 | 65.7 | 0 | 0 | 0 | 111.4 | H380 I381 S382 A383 L387 S388 W389 | H380-L385 WeakPolarHBondContact O-CD2 3.49Å; I381-L385 HydrophobicContact CD1-CD2 3.99Å; S382-L385 PolarHBondContact O-N 2.93Å; S382-L385 WeakPolarHBondContact OG-CB 3.4Å; S382-L385 PolarHBondContact OG-N 3.3Å; A383-L385 PolarHBondContact O-N 2.86Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-L387 PolarHBondContact O-N 2.93Å; L385-S388 PolarHBondContact O-N 3.45Å; L385-S388 PolarHBondContact O-OG 2.99Å; L385-W389 HydrophobicContact CD1-CZ2 4.05Å; L385-W389 HydrophobicContact CD2-CH2 3.87Å; L385-W389 HydrophobicContact CD2-CZ2 3.6Å; L385-W389 HydrophobicContact CG-CD2 4.22Å; L385-W389 HydrophobicContact CG-CH2 4.26Å; L385-W389 HydrophobicContact CG-CZ2 3.79Å; L385-W389 PolarHBondContact O-N 2.65Å |
| 386 | L | 87.5 | Confident | 78 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 175.2 | -76.3 | -178.5 | 0 | 0 | 0 | 111.4 | L350 L372 F375 L376 I381 S382 A383 S388 W389 M390 | L350-L386 HydrophobicContact CD2-CB 3.95Å; L350-L386 HydrophobicContact CD2-CD1 4.33Å; L372-L386 HydrophobicContact CD1-CD1 4.14Å; F375-L386 HydrophobicContact CD1-CD2 4.07Å; F375-L386 HydrophobicContact CE1-CD2 3.68Å; L376-L386 HydrophobicContact CD2-CD1 3.58Å; L376-L386 HydrophobicContact CG-CD1 4.34Å; I381-L386 HydrophobicContact CG2-CD2 4.32Å; I381-L386 HydrophobicContact CG2-CG 4.16Å; S382-L386 PolarHBondContact O-N 2.98Å; A383-L386 PolarHBondContact O-N 3.2Å; L386-S388 VanDerWaalsContact C-N 3.31Å; L386-S388 PolarHBondContact O-N 3.46Å; L386-W389 HydrophobicContact CD2-CE3 4.03Å; L386-W389 HydrophobicContact CD2-CZ3 4.19Å; L386-W389 PolarHBondContact O-N 2.96Å; L386-M390 HydrophobicContact CB-CE 4.29Å; L386-M390 VanDerWaalsContact O-CG 3.25Å; L386-M390 WeakPolarHBondContact O-CG 3.29Å; L386-M390 PolarHBondContact O-N 2.91Å |
| 387 | L | 87.6 | Confident | 78.2 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57 | -46.9 | 175.7 | 178.9 | 59.7 | 0 | 0 | 0 | 110.6 | F228 I230 L350 A383 S384 L385 W389 M390 I391 L411 | F228-L387 HydrophobicContact CD2-CD1 4.24Å; I230-L387 HydrophobicContact CB-CD2 4.13Å; I230-L387 HydrophobicContact CD1-CB 3.78Å; I230-L387 HydrophobicContact CD1-CD2 3.53Å; I230-L387 HydrophobicContact CD1-CG 4.2Å; I230-L387 HydrophobicContact CG1-CD2 4.43Å; I230-L387 HydrophobicContact CG2-CD2 4.04Å; L350-L387 HydrophobicContact CD1-CB 4.22Å; L350-L387 HydrophobicContact CD1-CD1 4.15Å; A383-L387 WeakPolarHBondContact O-CB 3.23Å; A383-L387 PolarHBondContact O-N 2.9Å; S384-L387 PolarHBondContact O-N 3.18Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-L387 PolarHBondContact O-N 2.93Å; L387-W389 VanDerWaalsContact C-N 3.3Å; L387-W389 PolarHBondContact O-N 3.2Å; L387-M390 WeakPolarHBondContact O-CB 3.47Å; L387-M390 PolarHBondContact O-N 2.94Å; L387-M390 VanDerWaalsContact O-N 3.09Å; L387-I391 HydrophobicContact CD1-CD1 3.54Å; L387-I391 HydrophobicContact CD1-CG1 4.06Å; L387-I391 HydrophobicContact CD2-CD1 4.29Å; L387-I391 HydrophobicContact CG-CD1 3.52Å; L387-I391 HydrophobicContact CG-CG1 4.49Å; L387-I391 VanDerWaalsContact O-CD1 3.29Å; L387-I391 WeakPolarHBondContact O-CD1 3.44Å; L387-I391 WeakPolarHBondContact O-CG1 3.41Å; L387-I391 PolarHBondContact O-N 3.45Å; L387-L411 HydrophobicContact CD1-CD2 3.58Å |
| 388 | S | 84 | Confident | 78.6 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 178.3 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | S384 L385 L386 Q392 | S384-S388 PolarHBondContact O-N 3.42Å; L385-S388 PolarHBondContact O-N 3.45Å; L385-S388 PolarHBondContact O-OG 2.99Å; L386-S388 VanDerWaalsContact C-N 3.31Å; L386-S388 PolarHBondContact O-N 3.46Å; S388-Q392 WeakPolarHBondContact O-CA 3.34Å; S388-Q392 PolarHBondContact O-N 3.46Å |
| 389 | W | 83.7 | Confident | 79 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 5% | 0.045 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.6 | -33.9 | 175.7 | -67.9 | -16 | 0 | 0 | 0 | 113 | F375 I381 L385 L386 L387 Q392 P393 M396 P397 Y400 | F375-W389 AromaticContact CE1-CZ3 3.83Å; F375-W389 HydrophobicContact CE1-CZ3 3.83Å; F375-W389 HydrophobicContact CZ-CH2 4.24Å; F375-W389 AromaticContact CZ-CZ3 3.72Å; F375-W389 HydrophobicContact CZ-CZ3 3.72Å; I381-W389 HydrophobicContact CD1-CH2 3.55Å; I381-W389 HydrophobicContact CD1-CZ3 4.04Å; L385-W389 HydrophobicContact CD1-CZ2 4.05Å; L385-W389 HydrophobicContact CD2-CH2 3.87Å; L385-W389 HydrophobicContact CD2-CZ2 3.6Å; L385-W389 HydrophobicContact CG-CD2 4.22Å; L385-W389 HydrophobicContact CG-CH2 4.26Å; L385-W389 HydrophobicContact CG-CZ2 3.79Å; L385-W389 PolarHBondContact O-N 2.65Å; L386-W389 HydrophobicContact CD2-CE3 4.03Å; L386-W389 HydrophobicContact CD2-CZ3 4.19Å; L386-W389 PolarHBondContact O-N 2.96Å; L387-W389 VanDerWaalsContact C-N 3.3Å; L387-W389 PolarHBondContact O-N 3.2Å; W389-Q392 CarbonylContact O-C 3.3Å; W389-P393 VanDerWaalsContact O-CA 3.24Å; W389-P393 WeakPolarHBondContact O-CA 3.46Å; W389-M396 HydrophobicContact CB-CB 4.2Å; W389-M396 HydrophobicContact CB-CE 3.71Å; W389-M396 HydrophobicContact CB-CG 4.16Å; W389-M396 HydrophobicContact CD2-CB 4.41Å; W389-M396 HydrophobicContact CD2-CG 3.82Å; W389-M396 HydrophobicContact CE3-CG 4.11Å; W389-M396 HydrophobicContact CG-CB 3.99Å; W389-M396 HydrophobicContact CG-CE 4.42Å; W389-M396 HydrophobicContact CG-CG 3.86Å; W389-P397 HydrophobicContact CZ2-CG 4.1Å; W389-Y400 AromaticContact CH2-CD2 3.44Å; W389-Y400 HydrophobicContact CH2-CD2 3.44Å; W389-Y400 VanDerWaalsContact CH2-CD2 3.44Å; W389-Y400 AromaticContact CH2-CE2 3.7Å; W389-Y400 HydrophobicContact CH2-CE2 3.7Å; W389-Y400 HydrophobicContact CH2-CG 4.29Å; W389-Y400 HydrophobicContact CZ2-CD2 4.02Å; W389-Y400 HydrophobicContact CZ2-CE2 4.33Å; W389-Y400 AromaticContact CZ3-CD2 3.95Å; W389-Y400 HydrophobicContact CZ3-CD2 3.95Å; W389-Y400 HydrophobicContact CZ3-CE2 4.49Å; W389-Y400 HydrophobicContact CZ3-CG 4.38Å |
| 390 | M | 84.9 | Confident | 80 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 176.5 | -68.2 | 166.1 | -177.5 | 0 | 0 | 111.8 | L350 V365 L386 L387 N407 L411 | L350-M390 HydrophobicContact CD1-SD 4.36Å; V365-M390 HydrophobicContact CG2-CE 3.7Å; L386-M390 HydrophobicContact CB-CE 4.29Å; L386-M390 VanDerWaalsContact O-CG 3.25Å; L386-M390 WeakPolarHBondContact O-CG 3.29Å; L386-M390 PolarHBondContact O-N 2.91Å; L387-M390 WeakPolarHBondContact O-CB 3.47Å; L387-M390 PolarHBondContact O-N 2.94Å; L387-M390 VanDerWaalsContact O-N 3.09Å; M390-N407 HydrophobicContact CE-CB 3.84Å; M390-N407 HydrophobicContact CG-CB 4.28Å; M390-N407 HydrophobicContact SD-CB 3.8Å; M390-L411 HydrophobicContact CB-CD1 4.22Å |
| 391 | I | 80.1 | Confident | 79.9 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 14% | 0.138 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -80.8 | -41.1 | 178.9 | -61.8 | 149 | 0 | 0 | 0 | 111.7 | V225 L387 P393 | V225-I391 HydrophobicContact CB-CD1 4.48Å; V225-I391 HydrophobicContact CB-CG2 4.45Å; V225-I391 HydrophobicContact CG1-CD1 3.27Å; V225-I391 HydrophobicContact CG1-CG1 3.96Å; V225-I391 HydrophobicContact CG1-CG2 3.96Å; V225-I391 HydrophobicContact CG2-CD1 4.47Å; V225-I391 HydrophobicContact CG2-CG1 4.28Å; V225-I391 HydrophobicContact CG2-CG2 3.79Å; L387-I391 HydrophobicContact CD1-CD1 3.54Å; L387-I391 HydrophobicContact CD1-CG1 4.06Å; L387-I391 HydrophobicContact CD2-CD1 4.29Å; L387-I391 HydrophobicContact CG-CD1 3.52Å; L387-I391 HydrophobicContact CG-CG1 4.49Å; L387-I391 VanDerWaalsContact O-CD1 3.29Å; L387-I391 WeakPolarHBondContact O-CD1 3.44Å; L387-I391 WeakPolarHBondContact O-CG1 3.41Å; L387-I391 PolarHBondContact O-N 3.45Å; I391-P393 VanDerWaalsContact C-CD 3.49Å; I391-P393 WeakPolarHBondContact O-CD 3.3Å |
| 392 | Q | 78.5 | Confident | 79.3 | Confident | 112 Ų | 112 | 51.1 Ų | 51.1 | 52% | 0.523 | 28% | 0.281 | S | S | . | . | trans | -121.1 | 78.1 | -180 | -62 | -175.5 | -3.4 | 0 | 0 | 110.1 | S388 W389 T394 T395 | S388-Q392 WeakPolarHBondContact O-CA 3.34Å; S388-Q392 PolarHBondContact O-N 3.46Å; W389-Q392 CarbonylContact O-C 3.3Å; Q392-T394 PolarHBondContact O-N 3.22Å; Q392-T395 HydrophobicContact CB-CG2 3.84Å; Q392-T395 PolarHBondContact O-N 2.71Å; Q392-T395 PolarHBondContact O-OG1 2.83Å | ||
| 393 | P | 74.1 | Confident | 79.1 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 29% | 0.286 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -58.8 | -24.3 | -177.8 | -25.9 | 36.9 | 0 | 0 | 0 | 113.6 | W389 I391 T395 M396 L406 | W389-P393 VanDerWaalsContact O-CA 3.24Å; W389-P393 WeakPolarHBondContact O-CA 3.46Å; I391-P393 VanDerWaalsContact C-CD 3.49Å; I391-P393 WeakPolarHBondContact O-CD 3.3Å; P393-T395 PolarHBondContact O-N 2.88Å; P393-M396 VanDerWaalsContact O-CB 3.23Å; P393-M396 WeakPolarHBondContact O-CB 3.33Å; P393-M396 PolarHBondContact O-N 3.29Å; P393-M396 VanDerWaalsContact O-N 3.09Å; P393-L406 HydrophobicContact CB-CD2 3.98Å; P393-L406 HydrophobicContact CG-CD2 3.36Å |
| 394 | T | 75.7 | Confident | 79 | Confident | 135 Ų | 135 | 57.9 Ų | 57.9 | 83% | 0.828 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -63.3 | -23.7 | 175.1 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | Q392 M396 | Q392-T394 PolarHBondContact O-N 3.22Å; T394-M396 VanDerWaalsContact C-N 3.33Å |
| 395 | T | 78.5 | Confident | 79.1 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -83.9 | -12.4 | 176.2 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | Q392 P393 P397 | Q392-T395 HydrophobicContact CB-CG2 3.84Å; Q392-T395 PolarHBondContact O-N 2.71Å; Q392-T395 PolarHBondContact O-OG1 2.83Å; P393-T395 PolarHBondContact O-N 2.88Å; T395-P397 WeakPolarHBondContact O-CD 3.24Å |
| 396 | M | 79 | Confident | 79.1 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -72.3 | 128.3 | -177.8 | -165.1 | -169.6 | -63.1 | 0 | 0 | 110.1 | W389 P393 T394 K398 A401 I404 | W389-M396 HydrophobicContact CB-CB 4.2Å; W389-M396 HydrophobicContact CB-CE 3.71Å; W389-M396 HydrophobicContact CB-CG 4.16Å; W389-M396 HydrophobicContact CD2-CB 4.41Å; W389-M396 HydrophobicContact CD2-CG 3.82Å; W389-M396 HydrophobicContact CE3-CG 4.11Å; W389-M396 HydrophobicContact CG-CB 3.99Å; W389-M396 HydrophobicContact CG-CE 4.42Å; W389-M396 HydrophobicContact CG-CG 3.86Å; P393-M396 VanDerWaalsContact O-CB 3.23Å; P393-M396 WeakPolarHBondContact O-CB 3.33Å; P393-M396 PolarHBondContact O-N 3.29Å; P393-M396 VanDerWaalsContact O-N 3.09Å; T394-M396 VanDerWaalsContact C-N 3.33Å; M396-K398 PolarHBondContact O-N 3.33Å; M396-A401 WeakPolarHBondContact SD-CA 3.47Å; M396-A401 HydrophobicContact SD-CB 4.35Å; M396-A401 PolarHBondContact SD-N 2.91Å; M396-I404 HydrophobicContact CE-CB 3.76Å; M396-I404 HydrophobicContact CE-CG2 3.78Å; M396-I404 HydrophobicContact SD-CB 3.86Å; M396-I404 HydrophobicContact SD-CG1 4.47Å; M396-I404 HydrophobicContact SD-CG2 4.48Å |
| 397 | P | 78.8 | Confident | 79.3 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 31% | 0.312 | 28% | 0.277 | S | S | . | . | trans | -55.4 | 137 | 173.8 | -26.3 | 33.8 | 0 | 0 | 0 | 111.7 | W389 T395 K399 Y400 A401 | W389-P397 HydrophobicContact CZ2-CG 4.1Å; T395-P397 WeakPolarHBondContact O-CD 3.24Å; P397-K399 HydrophobicContact CB-CG 4.01Å; P397-K399 PolarHBondContact O-N 3.45Å; P397-Y400 HydrophobicContact CB-CD2 3.9Å; P397-Y400 HydrophobicContact CB-CE2 4.36Å; P397-Y400 HydrophobicContact CG-CD2 3.89Å; P397-Y400 HydrophobicContact CG-CE2 4.23Å; P397-Y400 PolarHBondContact O-N 3.35Å; P397-A401 PolarHBondContact O-N 3.42Å | ||
| 398 | K | 75.5 | Confident | 79.4 | Confident | 181 Ų | 181 | 53.2 Ų | 53.2 | 79% | 0.787 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -49.1 | -35.6 | -178.6 | -67.9 | -170.7 | 176.4 | -169.2 | 0 | 113.8 | M396 Y400 A401 | M396-K398 PolarHBondContact O-N 3.33Å; K398-Y400 PolarHBondContact O-N 3.34Å; K398-A401 PolarHBondContact O-N 2.83Å |
| 399 | K | 78.3 | Confident | 79.8 | Confident | 135 Ų | 135 | 51.1 Ų | 51.1 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62 | -19.9 | 176.2 | 61.7 | 169.7 | 168.8 | 166 | 0 | 115 | P397 | P397-K399 HydrophobicContact CB-CG 4.01Å; P397-K399 PolarHBondContact O-N 3.45Å |
| 400 | Y | 77.5 | Confident | 80.3 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 8% | 0.078 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -107.1 | -20.7 | 179.4 | -59.1 | -46.2 | 0 | 0 | 0 | 112.7 | F375 W389 P397 K398 C402 R403 I404 | F375-Y400 AromaticContact CE2-CD1 3.83Å; F375-Y400 HydrophobicContact CE2-CD1 3.83Å; F375-Y400 AromaticContact CE2-CE1 3.7Å; F375-Y400 HydrophobicContact CE2-CE1 3.7Å; F375-Y400 HydrophobicContact CZ-CD1 4.04Å; F375-Y400 HydrophobicContact CZ-CE1 4.08Å; F375-Y400 HydrophobicContact CZ-CG 4.33Å; W389-Y400 AromaticContact CH2-CD2 3.44Å; W389-Y400 HydrophobicContact CH2-CD2 3.44Å; W389-Y400 VanDerWaalsContact CH2-CD2 3.44Å; W389-Y400 AromaticContact CH2-CE2 3.7Å; W389-Y400 HydrophobicContact CH2-CE2 3.7Å; W389-Y400 HydrophobicContact CH2-CG 4.29Å; W389-Y400 HydrophobicContact CZ2-CD2 4.02Å; W389-Y400 HydrophobicContact CZ2-CE2 4.33Å; W389-Y400 AromaticContact CZ3-CD2 3.95Å; W389-Y400 HydrophobicContact CZ3-CD2 3.95Å; W389-Y400 HydrophobicContact CZ3-CE2 4.49Å; W389-Y400 HydrophobicContact CZ3-CG 4.38Å; P397-Y400 HydrophobicContact CB-CD2 3.9Å; P397-Y400 HydrophobicContact CB-CE2 4.36Å; P397-Y400 HydrophobicContact CG-CD2 3.89Å; P397-Y400 HydrophobicContact CG-CE2 4.23Å; P397-Y400 PolarHBondContact O-N 3.35Å; K398-Y400 PolarHBondContact O-N 3.34Å; Y400-C402 PolarHBondContact O-N 3.37Å; Y400-C402 VanDerWaalsContact O-N 3.13Å; Y400-R403 PolarHBondContact O-N 3.35Å; Y400-I404 PolarHBondContact O-N 3.36Å |
| 401 | A | 69.1 | Low | 80.6 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.9 | -29.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M396 P397 K398 I921 | M396-A401 WeakPolarHBondContact SD-CA 3.47Å; M396-A401 HydrophobicContact SD-CB 4.35Å; M396-A401 PolarHBondContact SD-N 2.91Å; P397-A401 PolarHBondContact O-N 3.42Å; K398-A401 PolarHBondContact O-N 2.83Å; A401-I921 HydrophobicContact CB-CD1 3.56Å |
| 402 | C | 67.7 | Low | 81.1 | Confident | 80 Ų | 80 | 49.3 Ų | 49.3 | 54% | 0.541 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -3.3 | 176 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | Y400 | Y400-C402 PolarHBondContact O-N 3.37Å; Y400-C402 VanDerWaalsContact O-N 3.13Å |
| 403 | R | 71.4 | Confident | 81.9 | Confident | 164 Ų | 164 | 44 Ų | 44 | 62% | 0.619 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | -30.9 | -175 | -66.6 | -171.9 | 178.6 | -160.2 | 0.1 | 113.9 | Y400 | Y400-R403 PolarHBondContact O-N 3.35Š|
| 404 | I | 81 | Confident | 82.7 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | trans | -103.6 | 114.6 | -178.6 | -53.5 | -59.2 | 0 | 0 | 0 | 108.5 | V365 L367 F375 M396 Y400 | V365-I404 HydrophobicContact CG2-CG2 4.17Å; L367-I404 HydrophobicContact CD1-CD1 3.53Å; L367-I404 HydrophobicContact CD2-CD1 4.49Å; L367-I404 HydrophobicContact CG-CD1 4.09Å; F375-I404 HydrophobicContact CD1-CD1 4.27Å; F375-I404 HydrophobicContact CE1-CD1 4.07Å; F375-I404 HydrophobicContact CE2-CD1 4.36Å; F375-I404 HydrophobicContact CZ-CD1 4.12Å; F375-I404 HydrophobicContact CZ-CG1 4.32Å; M396-I404 HydrophobicContact CE-CB 3.76Å; M396-I404 HydrophobicContact CE-CG2 3.78Å; M396-I404 HydrophobicContact SD-CB 3.86Å; M396-I404 HydrophobicContact SD-CG1 4.47Å; M396-I404 HydrophobicContact SD-CG2 4.48Å; Y400-I404 PolarHBondContact O-N 3.36Å | ||
| 405 | G | 83.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -79.2 | 171.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L361 S364 V365 | L361-G405 CarbonylContact O-C 3.41Å; L361-G405 WeakPolarHBondContact O-CA 3.33Å; S364-G405 CarbonylContact O-C 3.13Å; S364-G405 WeakPolarHBondContact O-CA 3.38Å; V365-G405 VanDerWaalsContact C-N 3.34Å; V365-G405 PolarHBondContact O-N 3.27Å | ||
| 406 | L | 86.1 | Confident | 83.7 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | trans | -81.9 | -16.4 | -173.2 | -56.7 | -178.8 | 0 | 0 | 0 | 113.7 | L361 F362 P393 Y408 | L361-L406 PolarHBondContact O-N 2.7Å; F362-L406 HydrophobicContact CD2-CD1 4.16Å; F362-L406 HydrophobicContact CE2-CD1 4.44Å; P393-L406 HydrophobicContact CB-CD2 3.98Å; P393-L406 HydrophobicContact CG-CD2 3.36Å; L406-Y408 VanDerWaalsContact C-N 3.33Å; L406-Y408 HydrophobicContact CB-CD2 3.77Å; L406-Y408 HydrophobicContact CB-CE2 3.79Å; L406-Y408 HydrophobicContact CD1-CD2 4.37Å; L406-Y408 HydrophobicContact CD1-CE2 3.78Å; L406-Y408 HydrophobicContact CG-CE2 4.43Å; L406-Y408 PolarHBondContact O-N 3.29Å | ||
| 407 | N | 91.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | 55.6 | 41.2 | 173 | -177.4 | 42.9 | 0 | 0 | 0 | 114.2 | L351 V352 E353 F362 L363 S364 V365 M390 S409 G410 L411 | L351-N407 PolarHBondContact O-ND2 3.38Å; V352-N407 WeakPolarHBondContact CA-OD1 3.44Å; E353-N407 PolarHBondContact N-OD1 3.04Å; F362-N407 PolarHBondContact O-N 3.19Å; L363-N407 CarbonylContact O-C 3.54Å; L363-N407 WeakPolarHBondContact O-CA 3.31Å; S364-N407 PolarHBondContact O-N 3.14Å; V365-N407 HydrophobicContact CB-CB 4.34Å; M390-N407 HydrophobicContact CE-CB 3.84Å; M390-N407 HydrophobicContact CG-CB 4.28Å; M390-N407 HydrophobicContact SD-CB 3.8Å; N407-S409 PolarHBondContact O-N 3.35Å; N407-S409 VanDerWaalsContact O-N 3.15Å; N407-G410 PolarHBondContact O-N 3.5Å; N407-L411 PolarHBondContact O-N 3.29Å | ||
| 408 | Y | 89.6 | Confident | 84.4 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -28.7 | -178.4 | -91.1 | -74.1 | 0 | 0 | 0 | 114.4 | W218 E219 I322 F362 L363 L406 T412 | W218-Y408 AromaticContact CH2-CD1 3.94Å; W218-Y408 HydrophobicContact CH2-CD1 3.94Å; W218-Y408 AromaticContact CH2-CE1 3.72Å; W218-Y408 HydrophobicContact CH2-CE1 3.72Å; W218-Y408 AromaticContact CZ2-CD1 3.89Å; W218-Y408 HydrophobicContact CZ2-CD1 3.89Å; W218-Y408 AromaticContact CZ2-CE1 3.8Å; W218-Y408 HydrophobicContact CZ2-CE1 3.8Å; E219-Y408 WeakPolarHBondContact CG-OH 3.47Å; E219-Y408 PolarHBondContact OE1-OH 3.09Å; E219-Y408 PolarHBondContact OE2-OH 2.97Å; I322-Y408 HydrophobicContact CD1-CD1 4.12Å; I322-Y408 HydrophobicContact CD1-CE1 3.45Å; I322-Y408 VanDerWaalsContact CD1-CE1 3.45Å; I322-Y408 HydrophobicContact CG1-CD1 4.15Å; I322-Y408 HydrophobicContact CG1-CE1 4Å; F362-Y408 HydrophobicContact CD1-CD2 4.43Å; F362-Y408 HydrophobicContact CD2-CD2 4.03Å; F362-Y408 HydrophobicContact CD2-CE2 4.27Å; F362-Y408 HydrophobicContact CE1-CD2 4.07Å; F362-Y408 HydrophobicContact CE1-CG 4.42Å; F362-Y408 AromaticContact CE2-CD2 3.62Å; F362-Y408 HydrophobicContact CE2-CD2 3.62Å; F362-Y408 AromaticContact CE2-CE2 3.63Å; F362-Y408 HydrophobicContact CE2-CE2 3.63Å; F362-Y408 HydrophobicContact CG-CD2 4.41Å; F362-Y408 AromaticContact CZ-CD2 3.64Å; F362-Y408 HydrophobicContact CZ-CD2 3.64Å; F362-Y408 AromaticContact CZ-CE2 3.91Å; F362-Y408 HydrophobicContact CZ-CE2 3.91Å; F362-Y408 HydrophobicContact CZ-CG 4.25Å; F362-Y408 WeakPolarHBondContact O-CD2 3.33Å; F362-Y408 PolarHBondContact O-N 3.1Å; L363-Y408 PolarHBondContact O-N 2.97Å; L406-Y408 VanDerWaalsContact C-N 3.33Å; L406-Y408 HydrophobicContact CB-CD2 3.77Å; L406-Y408 HydrophobicContact CB-CE2 3.79Å; L406-Y408 HydrophobicContact CD1-CD2 4.37Å; L406-Y408 HydrophobicContact CD1-CE2 3.78Å; L406-Y408 HydrophobicContact CG-CE2 4.43Å; L406-Y408 PolarHBondContact O-N 3.29Å; Y408-T412 VanDerWaalsContact O-CB 3.28Å; Y408-T412 WeakPolarHBondContact O-CB 3.39Å; Y408-T412 PolarHBondContact O-N 3.05Å; Y408-T412 PolarHBondContact O-OG1 3.34Å |
| 409 | S | 92.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | S246 E353 L363 N407 L413 | S246-S409 WeakPolarHBondContact CB-OG 3.39Å; S246-S409 PolarHBondContact N-OG 3.03Å; S246-S409 PolarHBondContact OG-OG 3.11Å; E353-S409 PolarHBondContact OE2-OG 3.29Å; L363-S409 WeakPolarHBondContact O-CB 3.41Å; L363-S409 PolarHBondContact O-N 3.39Å; N407-S409 PolarHBondContact O-N 3.35Å; N407-S409 VanDerWaalsContact O-N 3.15Å; S409-L413 WeakPolarHBondContact O-CG 3.44Å; S409-L413 PolarHBondContact O-N 3.03Å |
| 410 | G | 93.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -47.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L351 N407 T412 L413 M414 | L351-G410 WeakPolarHBondContact O-CA 3.34Å; N407-G410 PolarHBondContact O-N 3.5Å; G410-T412 VanDerWaalsContact C-N 3.32Å; G410-T412 PolarHBondContact O-N 3.34Å; G410-L413 PolarHBondContact O-N 3.33Å; G410-M414 WeakPolarHBondContact O-CG 3.37Å; G410-M414 PolarHBondContact O-N 3.42Å |
| 411 | L | 91.1 | Very high | 85.2 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 179.8 | -63.4 | 178.9 | 0 | 0 | 0 | 112.5 | W218 F228 L387 M390 N407 M414 K415 | W218-L411 HydrophobicContact CH2-CB 3.58Å; W218-L411 HydrophobicContact CH2-CD1 3.85Å; W218-L411 HydrophobicContact CH2-CG 4.37Å; W218-L411 HydrophobicContact CZ2-CB 4.42Å; W218-L411 HydrophobicContact CZ3-CB 4.21Å; W218-L411 HydrophobicContact CZ3-CD1 4.21Å; F228-L411 HydrophobicContact CE2-CD2 4.24Å; L387-L411 HydrophobicContact CD1-CD2 3.58Å; M390-L411 HydrophobicContact CB-CD1 4.22Å; N407-L411 PolarHBondContact O-N 3.29Å; L411-M414 HydrophobicContact CD2-SD 4.5Å; L411-M414 PolarHBondContact O-N 3.4Å; L411-K415 PolarHBondContact O-N 3.03Å |
| 412 | T | 90.7 | Very high | 85.6 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 178.3 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | L325 D326 I329 Y408 G410 K415 Y416 | L325-T412 HydrophobicContact CD2-CG2 4.49Å; L325-T412 WeakPolarHBondContact CD2-OG1 3.29Å; L325-T412 HydrophobicContact CG-CG2 4.4Å; D326-T412 WeakPolarHBondContact OD1-CG2 3.43Å; I329-T412 HydrophobicContact CD1-CG2 3.51Å; Y408-T412 VanDerWaalsContact O-CB 3.28Å; Y408-T412 WeakPolarHBondContact O-CB 3.39Å; Y408-T412 PolarHBondContact O-N 3.05Å; Y408-T412 PolarHBondContact O-OG1 3.34Å; G410-T412 VanDerWaalsContact C-N 3.32Å; G410-T412 PolarHBondContact O-N 3.34Å; T412-K415 PolarHBondContact O-N 2.62Å; T412-Y416 PolarHBondContact O-N 3.42Å |
| 413 | L | 94.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 173.2 | -71.7 | 170.5 | 0 | 0 | 0 | 112.2 | L237 L244 I329 F333 L343 L351 S409 G410 Y416 R417 | L237-L413 HydrophobicContact CD1-CD1 3.54Å; L237-L413 HydrophobicContact CD2-CD1 3.94Å; L237-L413 HydrophobicContact CG-CD1 4.41Å; L244-L413 HydrophobicContact CB-CD1 4Å; I329-L413 HydrophobicContact CG2-CD2 4.23Å; F333-L413 HydrophobicContact CE2-CD2 3.8Å; F333-L413 HydrophobicContact CZ-CD2 3.61Å; L343-L413 HydrophobicContact CD1-CB 4.05Å; L343-L413 HydrophobicContact CD1-CD2 4.47Å; L351-L413 HydrophobicContact CD1-CB 3.74Å; S409-L413 WeakPolarHBondContact O-CG 3.44Å; S409-L413 PolarHBondContact O-N 3.03Å; G410-L413 PolarHBondContact O-N 3.33Å; L413-Y416 PolarHBondContact O-N 3.39Å; L413-R417 WeakPolarHBondContact O-CB 3.24Å; L413-R417 PolarHBondContact O-N 2.87Å |
| 414 | M | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 175 | -69 | 171.4 | 64.9 | 0 | 0 | 111.5 | F228 L350 L351 G410 L411 Y416 R417 E418 | F228-M414 HydrophobicContact CB-CE 4.26Å; F228-M414 HydrophobicContact CD1-CB 4.45Å; F228-M414 HydrophobicContact CD2-CE 4.31Å; F228-M414 HydrophobicContact CE1-CB 4.35Å; F228-M414 HydrophobicContact CG-CE 4.29Å; L350-M414 HydrophobicContact CD1-CE 4.26Å; L350-M414 HydrophobicContact CD1-SD 3.87Å; L351-M414 HydrophobicContact CB-CG 4.04Å; L351-M414 HydrophobicContact CB-SD 4.38Å; L351-M414 HydrophobicContact CD1-CG 3.91Å; L351-M414 HydrophobicContact CG-CG 3.8Å; G410-M414 WeakPolarHBondContact O-CG 3.37Å; G410-M414 PolarHBondContact O-N 3.42Å; L411-M414 HydrophobicContact CD2-SD 4.5Å; L411-M414 PolarHBondContact O-N 3.4Å; M414-Y416 PolarHBondContact O-N 3Å; M414-R417 WeakPolarHBondContact O-CB 3.49Å; M414-R417 PolarHBondContact O-N 3.3Å; M414-E418 PolarHBondContact O-N 2.89Å |
| 415 | K | 86.7 | Confident | 84.1 | Confident | 28 Ų | 28 | 22.3 Ų | 22.3 | 12% | 0.122 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 171.9 | 177.3 | -171.8 | 168.3 | -166.9 | 0 | 111.9 | W218 F228 D326 L411 T412 R417 E418 Y419 | W218-K415 HydrophobicContact CG-CD 4.23Å; F228-K415 HydrophobicContact CE1-CB 3.97Å; F228-K415 HydrophobicContact CZ-CB 4.29Å; D326-K415 IonicContact OD1-NZ 3.65Å; D326-K415 IonicContact OD2-NZ 2.77Å; D326-K415 PolarHBondContact OD2-NZ 3.21Å; L411-K415 PolarHBondContact O-N 3.03Å; T412-K415 PolarHBondContact O-N 2.62Å; K415-R417 VanDerWaalsContact C-N 3.31Å; K415-R417 PolarHBondContact O-N 3.32Å; K415-E418 PolarHBondContact O-N 3.43Å; K415-Y419 PolarHBondContact O-N 2.95Å |
| 416 | Y | 88.7 | Confident | 81.8 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -35 | 178.1 | -166.6 | -109.8 | 0 | 0 | 0 | 112 | M210 F333 K340 L343 T412 L413 M414 Y419 L420 | M210-Y416 HydrophobicContact SD-CE2 4.22Å; F333-Y416 HydrophobicContact CB-CE1 3.72Å; F333-Y416 AromaticContact CD1-CD1 3.86Å; F333-Y416 HydrophobicContact CD1-CD1 3.86Å; F333-Y416 AromaticContact CD1-CE1 3.34Å; F333-Y416 HydrophobicContact CD1-CE1 3.34Å; F333-Y416 HydrophobicContact CD2-CE1 4.39Å; F333-Y416 AromaticContact CE1-CD1 3.98Å; F333-Y416 HydrophobicContact CE1-CD1 3.98Å; F333-Y416 AromaticContact CE1-CE1 3.93Å; F333-Y416 HydrophobicContact CE1-CE1 3.93Å; F333-Y416 HydrophobicContact CG-CD1 4.18Å; F333-Y416 AromaticContact CG-CE1 3.57Å; F333-Y416 HydrophobicContact CG-CE1 3.57Å; F333-Y416 HydrophobicContact CZ-CD1 4.43Å; K340-Y416 WeakPolarHBondContact CE-OH 3.38Å; K340-Y416 HydrophobicContact CG-CE1 4.49Å; L343-Y416 HydrophobicContact CD2-CD1 3.71Å; T412-Y416 PolarHBondContact O-N 3.42Å; L413-Y416 PolarHBondContact O-N 3.39Å; M414-Y416 PolarHBondContact O-N 3Å; Y416-Y419 HydrophobicContact CD2-CD1 4.09Å; Y416-Y419 AromaticContact CE2-CD1 3.92Å; Y416-Y419 HydrophobicContact CE2-CD1 3.92Å; Y416-Y419 HydrophobicContact CE2-CE1 4.25Å; Y416-Y419 WeakPolarHBondContact O-CB 3.34Å; Y416-Y419 PolarHBondContact O-N 3.32Å; Y416-L420 HydrophobicContact CD1-CD1 3.91Å; Y416-L420 HydrophobicContact CD1-CG 4.15Å; Y416-L420 HydrophobicContact CE1-CD1 3.74Å; Y416-L420 HydrophobicContact CE1-CD2 4Å; Y416-L420 HydrophobicContact CE1-CG 3.92Å; Y416-L420 WeakPolarHBondContact O-CG 3.21Å; Y416-L420 PolarHBondContact O-N 3.48Å |
| 417 | R | 89.1 | Confident | 79 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 173.4 | -175.7 | 176.4 | 69.1 | -165.2 | 3.2 | 111.4 | T229 L343 L344 T346 G347 S349 L413 M414 K415 Y419 L420 R421 | T229-R417 PolarHBondContact O-NH2 3.12Å; L343-R417 HydrophobicContact CD1-CB 4.18Å; L343-R417 HydrophobicContact CD2-CB 4Å; L343-R417 HydrophobicContact CG-CB 3.89Å; L343-R417 HydrophobicContact CG-CG 4.25Å; L344-R417 HydrophobicContact CD2-CG 4.41Å; T346-R417 PolarHBondContact OG1-NH1 2.88Å; G347-R417 WeakPolarHBondContact O-CD 3.43Å; G347-R417 PolarHBondContact O-NE 3.4Å; G347-R417 PolarHBondContact O-NH1 3.12Å; S349-R417 PolarHBondContact O-NH1 3.37Å; S349-R417 PolarHBondContact O-NH2 3Å; S349-R417 VanDerWaalsContact O-NH2 3.12Å; L413-R417 WeakPolarHBondContact O-CB 3.24Å; L413-R417 PolarHBondContact O-N 2.87Å; M414-R417 WeakPolarHBondContact O-CB 3.49Å; M414-R417 PolarHBondContact O-N 3.3Å; K415-R417 VanDerWaalsContact C-N 3.31Å; K415-R417 PolarHBondContact O-N 3.32Å; R417-Y419 VanDerWaalsContact C-N 3.34Å; R417-Y419 PolarHBondContact O-N 3.24Å; R417-L420 PolarHBondContact O-N 3.46Å; R417-R421 WeakPolarHBondContact O-CG 3.39Å; R417-R421 PolarHBondContact O-N 2.87Å; R417-R421 VanDerWaalsContact O-N 3.09Å |
| 418 | E | 84.8 | Confident | 76 | Confident | 38 Ų | 38 | 35.3 Ų | 35.3 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 176.4 | -64 | -43 | 132.2 | 0 | 0 | 112.6 | F228 T229 M414 K415 R421 S422 | F228-E418 HydrophobicContact CD1-CG 4.45Å; T229-E418 PolarHBondContact OG1-OE1 3.35Å; T229-E418 VanDerWaalsContact OG1-OE1 3.04Å; M414-E418 PolarHBondContact O-N 2.89Å; K415-E418 PolarHBondContact O-N 3.43Å; E418-R421 PolarHBondContact O-N 3.03Å; E418-R421 IonicContact OE1-CZ 3.2Å; E418-R421 IonicContact OE1-NH1 2.81Å; E418-R421 PolarHBondContact OE1-NH1 3.23Å; E418-R421 WeakPolarHBondContact OE2-CD 3.48Å; E418-R421 IonicContact OE2-NH1 3.21Å; E418-R421 PolarHBondContact OE2-NH1 2.89Å; E418-S422 PolarHBondContact O-N 3.02Å |
| 419 | Y | 83.7 | Confident | 73 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 172.8 | 168.6 | -106.8 | 0 | 0 | 0 | 111.7 | I213 K415 Y416 R417 R421 S422 C423 | I213-Y419 HydrophobicContact CD1-CD2 3.39Å; I213-Y419 HydrophobicContact CD1-CE2 3.75Å; I213-Y419 HydrophobicContact CD1-CG 3.84Å; I213-Y419 HydrophobicContact CG1-CD2 4.34Å; I213-Y419 HydrophobicContact CG1-CE2 4.47Å; K415-Y419 PolarHBondContact O-N 2.95Å; Y416-Y419 HydrophobicContact CD2-CD1 4.09Å; Y416-Y419 AromaticContact CE2-CD1 3.92Å; Y416-Y419 HydrophobicContact CE2-CD1 3.92Å; Y416-Y419 HydrophobicContact CE2-CE1 4.25Å; Y416-Y419 WeakPolarHBondContact O-CB 3.34Å; Y416-Y419 PolarHBondContact O-N 3.32Å; R417-Y419 VanDerWaalsContact C-N 3.34Å; R417-Y419 PolarHBondContact O-N 3.24Å; Y419-R421 VanDerWaalsContact C-N 3.26Å; Y419-R421 PolarHBondContact O-N 3.25Å; Y419-S422 PolarHBondContact O-N 3.5Å; Y419-S422 VanDerWaalsContact O-N 3.1Å; Y419-S422 PolarHBondContact O-OG 2.91Å; Y419-C423 WeakPolarHBondContact CE2-SG 3.28Å; Y419-C423 VanDerWaalsContact CZ-SG 3.51Å; Y419-C423 PolarHBondContact O-N 3.39Å; Y419-C423 PolarHBondContact O-SG 3.48Å; Y419-C423 VanDerWaalsContact O-SG 3.41Å |
| 420 | L | 84.4 | Confident | 69.8 | Low | 22 Ų | 22 | 50.4 Ų | 50.4 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.3 | -40.4 | 178.5 | -69.6 | 176.1 | 0 | 0 | 0 | 112 | K340 L343 L344 Y416 R417 C423 A424 | K340-L420 HydrophobicContact CB-CD1 3.91Å; K340-L420 HydrophobicContact CB-CD2 4.48Å; K340-L420 HydrophobicContact CD-CD2 4.11Å; K340-L420 HydrophobicContact CG-CD1 4.13Å; K340-L420 HydrophobicContact CG-CD2 4.16Å; L343-L420 HydrophobicContact CD2-CD1 4.13Å; L344-L420 HydrophobicContact CD2-CB 4.08Å; L344-L420 HydrophobicContact CG-CD1 4.4Å; Y416-L420 HydrophobicContact CD1-CD1 3.91Å; Y416-L420 HydrophobicContact CD1-CG 4.15Å; Y416-L420 HydrophobicContact CE1-CD1 3.74Å; Y416-L420 HydrophobicContact CE1-CD2 4Å; Y416-L420 HydrophobicContact CE1-CG 3.92Å; Y416-L420 WeakPolarHBondContact O-CG 3.21Å; Y416-L420 PolarHBondContact O-N 3.48Å; R417-L420 PolarHBondContact O-N 3.46Å; L420-C423 PolarHBondContact O-N 3.04Å; L420-A424 PolarHBondContact O-N 3.28Å; L420-A424 VanDerWaalsContact O-N 3.14Å |
| 421 | R | 79.6 | Confident | 66.5 | Low | 40 Ų | 40 | 54.8 Ų | 54.8 | 15% | 0.151 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.7 | -70.1 | 167.4 | 178 | -169.6 | -10.1 | 112.1 | T229 L344 G347 D348 R417 E418 Y419 C423 A424 V425 | T229-R421 PolarHBondContact OG1-NH1 2.98Å; L344-R421 HydrophobicContact CD2-CG 3.8Å; G347-R421 PolarHBondContact O-NH2 3.3Å; D348-R421 IonicContact OD1-CZ 3.86Å; D348-R421 IonicContact OD1-NH1 3.04Å; D348-R421 PolarHBondContact OD1-NH1 2.74Å; D348-R421 IonicContact OD1-NH2 2.67Å; D348-R421 PolarHBondContact OD1-NH2 3.22Å; R417-R421 WeakPolarHBondContact O-CG 3.39Å; R417-R421 PolarHBondContact O-N 2.87Å; R417-R421 VanDerWaalsContact O-N 3.09Å; E418-R421 PolarHBondContact O-N 3.03Å; E418-R421 IonicContact OE1-CZ 3.2Å; E418-R421 IonicContact OE1-NH1 2.81Å; E418-R421 PolarHBondContact OE1-NH1 3.23Å; E418-R421 WeakPolarHBondContact OE2-CD 3.48Å; E418-R421 IonicContact OE2-NH1 3.21Å; E418-R421 PolarHBondContact OE2-NH1 2.89Å; Y419-R421 VanDerWaalsContact C-N 3.26Å; Y419-R421 PolarHBondContact O-N 3.25Å; R421-C423 VanDerWaalsContact C-N 3.26Å; R421-C423 PolarHBondContact O-N 3.32Å; R421-A424 PolarHBondContact O-N 3.33Å; R421-V425 PolarHBondContact O-N 3.12Å |
| 422 | S | 76.8 | Confident | 64 | Low | 60 Ų | 60 | 60.4 Ų | 60.4 | 42% | 0.42 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.6 | -34 | 178.3 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | E418 Y419 N426 | E418-S422 PolarHBondContact O-N 3.02Å; Y419-S422 PolarHBondContact O-N 3.5Å; Y419-S422 VanDerWaalsContact O-N 3.1Å; Y419-S422 PolarHBondContact O-OG 2.91Å; S422-N426 PolarHBondContact O-ND2 2.83Å |
| 423 | C | 72 | Confident | 60.7 | Low | 53 Ų | 53 | 67.6 Ų | 67.6 | 36% | 0.358 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 175 | -68 | 0 | 0 | 0 | 0 | 112.3 | Y419 L420 R421 N426 S427 | Y419-C423 WeakPolarHBondContact CE2-SG 3.28Å; Y419-C423 VanDerWaalsContact CZ-SG 3.51Å; Y419-C423 PolarHBondContact O-N 3.39Å; Y419-C423 PolarHBondContact O-SG 3.48Å; Y419-C423 VanDerWaalsContact O-SG 3.41Å; L420-C423 PolarHBondContact O-N 3.04Å; R421-C423 VanDerWaalsContact C-N 3.26Å; R421-C423 PolarHBondContact O-N 3.32Å; C423-N426 PolarHBondContact O-N 2.88Å; C423-S427 PolarHBondContact O-OG 2.94Å |
| 424 | A | 63.9 | Low | 57.4 | Low | 37 Ų | 37 | 75.9 Ų | 75.9 | 31% | 0.306 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L420 R421 N426 S427 | L420-A424 PolarHBondContact O-N 3.28Å; L420-A424 VanDerWaalsContact O-N 3.14Å; R421-A424 PolarHBondContact O-N 3.33Å; A424-N426 VanDerWaalsContact C-N 3.28Å; A424-N426 PolarHBondContact O-N 3.19Å; A424-S427 PolarHBondContact O-N 3.34Å; A424-S427 PolarHBondContact O-OG 2.95Å |
| 425 | V | 52.4 | Low | 54.3 | Low | 111 Ų | 111 | 79.8 Ų | 79.8 | 67% | 0.673 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.4 | -29.2 | 179.3 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | R421 S427 | R421-V425 PolarHBondContact O-N 3.12Å; V425-S427 VanDerWaalsContact C-N 3.35Å |
| 426 | N | 35.3 | Very low | 51.3 | Low | 136 Ų | 136 | 86.4 Ų | 86.4 | 73% | 0.727 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -7.1 | -178.8 | -69.8 | -21.2 | 0 | 0 | 0 | 113.9 | S422 C423 A424 G428 | S422-N426 PolarHBondContact O-ND2 2.83Å; C423-N426 PolarHBondContact O-N 2.88Å; A424-N426 VanDerWaalsContact C-N 3.28Å; A424-N426 PolarHBondContact O-N 3.19Å; N426-G428 PolarHBondContact O-N 3.1Å |
| 427 | S | 28.3 | Very low | 48.3 | Very low | 95 Ų | 95 | 91.8 Ų | 91.8 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | trans | -94.9 | 41.5 | 179.1 | 39.2 | 0 | 0 | 0 | 0 | 114.2 | C423 A424 V425 | C423-S427 PolarHBondContact O-OG 2.94Å; A424-S427 PolarHBondContact O-N 3.34Å; A424-S427 PolarHBondContact O-OG 2.95Å; V425-S427 VanDerWaalsContact C-N 3.35Å | ||
| 428 | G | 28.2 | Very low | 45.1 | Very low | 52 Ų | 52 | 100.2 Ų | 100.2 | 54% | 0.536 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -89.3 | 142.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N426 L430 | N426-G428 PolarHBondContact O-N 3.1Å; G428-L430 PolarHBondContact O-N 2.84Å |
| 429 | P | 26.7 | Very low | 42.3 | Very low | 133 Ų | 133 | 110.2 Ų | 110.2 | 86% | 0.864 | 62% | 0.619 | S | S | * | * | trans | -67.7 | 126.1 | -177.4 | 26.7 | -31.8 | 0 | 0 | 0 | 111.6 | A431 | P429-A431 PolarHBondContact O-N 3.39Å; P429-A431 VanDerWaalsContact O-N 3.08Å | ||
| 430 | L | 23.9 | Very low | 39.6 | Very low | 186 Ų | 186 | 113.5 Ų | 113.5 | 97% | 0.974 | 65% | 0.646 | S | S | * | * | trans | -60.5 | 102.4 | 170.5 | -75.8 | 158.5 | 0 | 0 | 0 | 110.3 | G428 | G428-L430 PolarHBondContact O-N 2.84Š| ||
| 431 | A | 24.9 | Very low | 36.7 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | trans | -125.2 | 127.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P429 | P429-A431 PolarHBondContact O-N 3.39Å; P429-A431 VanDerWaalsContact O-N 3.08Å | ||
| 432 | P | 38.3 | Very low | 34.2 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | trans | -92.7 | 132.4 | -173.6 | 34.6 | -29 | 0 | 0 | 0 | 110.7 | ||||
| 433 | L | 22.6 | Very low | 31.8 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | 175.7 | 132.2 | 122.5 | -124.6 | 71.9 | 0 | 0 | 0 | 111.6 | |||||
| 434 | E | 23.5 | Very low | 29.7 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -3.5 | 144.7 | 146.4 | -61.2 | 174.8 | 155.1 | 0 | 0 | 120.7 | ||||
| 435 | A | 26.4 | Very low | 28 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | 69.7 | 103.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 436 | H | 25.1 | Very low | 26.9 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | 179.8 | 117.6 | 110.4 | -93.1 | -66.3 | 0 | 0 | 0 | 112.5 | |||||
| 437 | I | 25.5 | Very low | 26.5 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | 65.6 | 109.2 | 127.7 | -58.3 | 176.9 | 0 | 0 | 0 | 120 | |||||
| 438 | E | 22.2 | Very low | 26.7 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 47.7 | 110.1 | 133.6 | -57.5 | 177.6 | 165.5 | 0 | 0 | 121 | ||||
| 439 | R | 24.1 | Very low | 26.8 | Very low | 248 Ų | 248 | 130.8 Ų | 130.8 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | -153.5 | 137.6 | 119.4 | -131.2 | 175.7 | -175.3 | 160.4 | 1.9 | 111.8 | |||||
| 440 | P | 27 | Very low | 27.3 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -91 | 163.4 | -179.1 | 35.6 | -33.8 | 0 | 0 | 0 | 113.9 | ||||
| 441 | A | 25.3 | Very low | 28 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 54.9 | 86.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 442 | D | 27 | Very low | 29.1 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | -140.8 | 92.8 | 123.8 | -88.2 | -33.4 | 0 | 0 | 0 | 107.2 | A444 | D442-A444 PolarHBondContact O-N 2.84Š| |||
| 443 | S | 26.2 | Very low | 29.8 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 93% | 0.93 | 69% | 0.687 | S | S | * | * | trans | -74.6 | 62.3 | 166.4 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 444 | A | 27.7 | Very low | 31.8 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | trans | -107.4 | 87.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | D442 | D442-A444 PolarHBondContact O-N 2.84Š| ||
| 445 | G | 28.2 | Very low | 34.1 | Very low | 65 Ų | 65 | 109.2 Ų | 109.2 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | trans | 75.5 | 129.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G447 | G445-G447 PolarHBondContact O-N 2.8Š| ||
| 446 | K | 28.3 | Very low | 36.7 | Very low | 214 Ų | 214 | 106 Ų | 106 | 93% | 0.93 | 61% | 0.612 | S | S | * | * | trans | -60.9 | 84.6 | 156.3 | -74.9 | 176 | 175.1 | 176.9 | 0 | 107.5 | ||||
| 447 | G | 27 | Very low | 39.3 | Very low | 71 Ų | 71 | 98.7 Ų | 98.7 | 73% | 0.732 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 122.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G445 | G445-G447 PolarHBondContact O-N 2.8Š|
| 448 | F | 33.5 | Very low | 41.9 | Very low | 109 Ų | 109 | 95.7 Ų | 95.7 | 48% | 0.478 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -46.3 | 149.4 | 179.9 | -74.7 | -96.8 | 0 | 0 | 0 | 116.8 | M453 | F448-M453 HydrophobicContact CD1-CE 4.05Å; F448-M453 HydrophobicContact CE1-CE 3.41Å; F448-M453 VanDerWaalsContact CE1-CE 3.41Å; F448-M453 HydrophobicContact CZ-CE 4.07Å |
| 449 | S | 30.2 | Very low | 44.4 | Very low | 48 Ų | 48 | 91.7 Ų | 91.7 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 135.4 | 153.4 | 120.9 | 0 | 0 | 0 | 0 | 109.7 | S451 D452 R633 | S449-S451 PolarHBondContact O-N 2.92Å; S449-S451 PolarHBondContact OG-N 2.68Å; S449-S451 PolarHBondContact OG-OG 2.71Å; S449-D452 PolarHBondContact OG-OD2 2.89Å; S449-R633 PolarHBondContact O-NH2 3.38Å |
| 450 | P | 36.2 | Very low | 46.8 | Very low | 106 Ų | 106 | 81.1 Ų | 81.1 | 69% | 0.688 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -60.8 | -20 | 174.6 | -24 | 33.8 | 0 | 0 | 0 | 115 | ||
| 451 | S | 39.6 | Very low | 49 | Very low | 99 Ų | 99 | 80.8 Ų | 80.8 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -78.1 | -18.3 | -166.6 | -0.1 | 0 | 0 | 0 | 0 | 115.4 | S449 | S449-S451 PolarHBondContact O-N 2.92Å; S449-S451 PolarHBondContact OG-N 2.68Å; S449-S451 PolarHBondContact OG-OG 2.71Å |
| 452 | D | 46.6 | Very low | 51.2 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 36% | 0.358 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -95 | -8.4 | -165.6 | -58.1 | -52.9 | 0 | 0 | 0 | 114.7 | S449 | S449-D452 PolarHBondContact OG-OD2 2.89Š|
| 453 | M | 53.2 | Low | 53.5 | Low | 23 Ų | 23 | 77.9 Ų | 77.9 | 11% | 0.113 | 48% | 0.479 | C | S | . | . | trans | -101.4 | 106.2 | -173.1 | -73.1 | -84.3 | -177.3 | 0 | 0 | 111.2 | F448 P630 | F448-M453 HydrophobicContact CD1-CE 4.05Å; F448-M453 HydrophobicContact CE1-CE 3.41Å; F448-M453 VanDerWaalsContact CE1-CE 3.41Å; F448-M453 HydrophobicContact CZ-CE 4.07Å; M453-P630 HydrophobicContact CB-CB 4.29Å; M453-P630 HydrophobicContact CB-CG 4.29Å | ||
| 454 | L | 64.3 | Low | 55.9 | Low | 68 Ų | 68 | 73.9 Ų | 73.9 | 36% | 0.356 | 45% | 0.451 | S | S | . | . | trans | -85.1 | 132.5 | -178.3 | -70.5 | 161.4 | 0 | 0 | 0 | 110.8 | T341 A345 | T341-L454 HydrophobicContact CG2-CB 3.72Å; T341-L454 HydrophobicContact CG2-CD1 3.32Å; T341-L454 HydrophobicContact CG2-CG 4.05Å; T341-L454 WeakPolarHBondContact OG1-CD1 3.49Å; A345-L454 WeakPolarHBondContact CB-O 3.2Å | ||
| 455 | P | 73.8 | Confident | 58.4 | Low | 41 Ų | 41 | 70 Ų | 70 | 27% | 0.266 | 42% | 0.418 | S | S | . | . | trans | -71.4 | 143.2 | -179.7 | 30.1 | -35.2 | 0 | 0 | 0 | 111.2 | I457 P459 | P455-I457 VanDerWaalsContact C-N 3.27Å; P455-I457 WeakPolarHBondContact CB-O 3.44Å; P455-I457 PolarHBondContact O-N 3.15Å; P455-P459 HydrophobicContact CG-CG 3.94Å | ||
| 456 | L | 79.5 | Confident | 60.8 | Low | 15 Ų | 15 | 68.2 Ų | 68.2 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -63.6 | -32.7 | 177.6 | -72.9 | 179.2 | 0 | 0 | 0 | 112.7 | F241 L342 A345 R554 P598 E599 Y631 | F241-L456 HydrophobicContact CE1-CD1 4.42Å; F241-L456 HydrophobicContact CE1-CD2 3.79Å; F241-L456 HydrophobicContact CZ-CD1 3.91Å; F241-L456 HydrophobicContact CZ-CD2 4.12Å; L342-L456 HydrophobicContact CD1-CD2 4.13Å; A345-L456 HydrophobicContact CB-CD2 3.55Å; A345-L456 HydrophobicContact CB-CG 4.24Å; L456-R554 WeakPolarHBondContact O-CG 3.42Å; L456-P598 HydrophobicContact CD1-CG 3.76Å; L456-E599 HydrophobicContact CB-CG 4.07Å; L456-E599 HydrophobicContact CD1-CG 4.38Å; L456-Y631 VanDerWaalsContact CD1-CB 3.41Å; L456-Y631 HydrophobicContact CD1-CD1 3.95Å; L456-Y631 HydrophobicContact CD1-CD2 4.02Å; L456-Y631 HydrophobicContact CD1-CG 3.52Å; L456-Y631 HydrophobicContact CG-CG 4.46Å |
| 457 | I | 81.1 | Confident | 63.4 | Low | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -121 | 167.7 | 179.8 | 58.3 | 165.3 | 0 | 0 | 0 | 111.1 | P455 P459 F460 R554 F558 E599 R642 | P455-I457 VanDerWaalsContact C-N 3.27Å; P455-I457 WeakPolarHBondContact CB-O 3.44Å; P455-I457 PolarHBondContact O-N 3.15Å; I457-P459 WeakPolarHBondContact O-CD 3.48Å; I457-F460 HydrophobicContact CD1-CD1 4.29Å; I457-F460 HydrophobicContact CD1-CE1 4.14Å; I457-R554 WeakPolarHBondContact CA-O 3.4Å; I457-F558 HydrophobicContact CB-CE2 4.32Å; I457-F558 HydrophobicContact CG2-CD2 4.01Å; I457-F558 HydrophobicContact CG2-CE2 3.32Å; I457-F558 HydrophobicContact CG2-CZ 4.01Å; I457-E599 HydrophobicContact CB-CG 4.46Å; I457-E599 HydrophobicContact CD1-CB 4.08Å; I457-E599 HydrophobicContact CD1-CG 4.17Å; I457-E599 HydrophobicContact CG1-CB 4.46Å; I457-E599 HydrophobicContact CG1-CG 4.02Å; I457-E599 HydrophobicContact CG2-CB 4.04Å; I457-E599 HydrophobicContact CG2-CG 3.71Å; I457-R642 HydrophobicContact CD1-CG 4.26Å |
| 458 | V | 79.7 | Confident | 66.3 | Low | 66 Ų | 66 | 61.8 Ų | 61.8 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | trans | -59.2 | 127.2 | 168.2 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | R554 K555 | V458-R554 HydrophobicContact CG2-CG 4.41Å; V458-R554 PolarHBondContact N-O 2.87Å; V458-R554 VanDerWaalsContact N-O 3.12Å; V458-K555 HydrophobicContact CG2-CB 3.91Å; V458-K555 HydrophobicContact CG2-CD 4.19Å; V458-K555 HydrophobicContact CG2-CG 4.03Å | ||
| 459 | P | 74.5 | Confident | 68.8 | Low | 94 Ų | 94 | 59.6 Ų | 59.6 | 61% | 0.61 | 35% | 0.351 | S | S | * | . | trans | -57.1 | 141.7 | 176.2 | -24.9 | 34.1 | 0 | 0 | 0 | 111.6 | P455 I457 | P455-P459 HydrophobicContact CG-CG 3.94Å; I457-P459 WeakPolarHBondContact O-CD 3.48Å | ||
| 460 | F | 73.4 | Confident | 71.6 | Confident | 26 Ų | 26 | 63 Ų | 63 | 11% | 0.114 | 37% | 0.366 | C | S | . | . | trans | -113.5 | 153.8 | 171 | 55.9 | -93.6 | 0 | 0 | 0 | 109.4 | I457 F465 V628 I645 | I457-F460 HydrophobicContact CD1-CD1 4.29Å; I457-F460 HydrophobicContact CD1-CE1 4.14Å; F460-F465 AromaticContact CD2-CE1 3.97Å; F460-F465 HydrophobicContact CD2-CE1 3.97Å; F460-F465 HydrophobicContact CE2-CE1 4.15Å; F460-V628 HydrophobicContact CE2-CG2 3.74Å; F460-V628 HydrophobicContact CZ-CG2 4.06Å; F460-I645 HydrophobicContact CD2-CD1 4.44Å; F460-I645 HydrophobicContact CD2-CG2 4.18Å; F460-I645 HydrophobicContact CE1-CD1 4.25Å; F460-I645 HydrophobicContact CE2-CD1 3.45Å; F460-I645 VanDerWaalsContact CE2-CD1 3.45Å; F460-I645 HydrophobicContact CE2-CG2 4.16Å; F460-I645 HydrophobicContact CZ-CD1 3.32Å | ||
| 461 | I | 73.6 | Confident | 74.2 | Confident | 109 Ų | 109 | 64 Ų | 64 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | trans | -98.2 | 136.1 | -177.3 | -51.4 | 175.2 | 0 | 0 | 0 | 108.3 | D463 S464 | I461-D463 HydrophobicContact CG2-CB 3.9Å; I461-D463 PolarHBondContact O-N 3.39Å; I461-S464 VanDerWaalsContact O-CB 3.26Å; I461-S464 WeakPolarHBondContact O-CB 3.47Å; I461-S464 PolarHBondContact O-N 3.41Å; I461-S464 PolarHBondContact O-OG 2.79Å | ||
| 462 | L | 72.4 | Confident | 76.6 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -52.7 | -37.3 | 175.5 | -80.2 | 144.6 | 0 | 0 | 0 | 112 | S464 F465 A466 F468 L624 | L462-S464 PolarHBondContact O-N 3.05Å; L462-S464 VanDerWaalsContact O-N 3.08Å; L462-F465 HydrophobicContact CB-CZ 4.39Å; L462-F465 HydrophobicContact CD2-CE2 4.17Å; L462-F465 HydrophobicContact CD2-CZ 3.72Å; L462-F465 HydrophobicContact CG-CZ 4.24Å; L462-F465 PolarHBondContact O-N 2.67Å; L462-A466 PolarHBondContact O-N 3.1Å; L462-F468 HydrophobicContact CD2-CE1 4.35Å; L462-L624 HydrophobicContact CD2-CB 4.06Å; L462-L624 HydrophobicContact CD2-CD1 4.43Å |
| 463 | D | 75.5 | Confident | 78.7 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -60.3 | -19.9 | 178.4 | -59 | -21.4 | 0 | 0 | 0 | 114 | I461 F465 R652 | I461-D463 HydrophobicContact CG2-CB 3.9Å; I461-D463 PolarHBondContact O-N 3.39Å; D463-F465 VanDerWaalsContact C-N 3.25Å; D463-F465 PolarHBondContact O-N 3.18Å; D463-R652 PolarHBondContact O-NH1 2.79Å |
| 464 | S | 76.9 | Confident | 80.5 | Confident | 50 Ų | 50 | 59 Ų | 59 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -66.5 | -27.4 | -179.6 | -64 | 0 | 0 | 0 | 0 | 112.7 | I461 L462 R652 | I461-S464 VanDerWaalsContact O-CB 3.26Å; I461-S464 WeakPolarHBondContact O-CB 3.47Å; I461-S464 PolarHBondContact O-N 3.41Å; I461-S464 PolarHBondContact O-OG 2.79Å; L462-S464 PolarHBondContact O-N 3.05Å; L462-S464 VanDerWaalsContact O-N 3.08Å; S464-R652 VanDerWaalsContact C-NH1 3.3Å; S464-R652 WeakPolarHBondContact O-CD 3.27Å; S464-R652 PolarHBondContact O-NH1 3.23Å |
| 465 | F | 78.9 | Confident | 81.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 3.5 | -175.6 | 55.5 | -92.2 | 0 | 0 | 0 | 114.2 | F460 L462 D463 F468 L624 I645 M648 E649 | F460-F465 AromaticContact CD2-CE1 3.97Å; F460-F465 HydrophobicContact CD2-CE1 3.97Å; F460-F465 HydrophobicContact CE2-CE1 4.15Å; L462-F465 HydrophobicContact CB-CZ 4.39Å; L462-F465 HydrophobicContact CD2-CE2 4.17Å; L462-F465 HydrophobicContact CD2-CZ 3.72Å; L462-F465 HydrophobicContact CG-CZ 4.24Å; L462-F465 PolarHBondContact O-N 2.67Å; D463-F465 VanDerWaalsContact C-N 3.25Å; D463-F465 PolarHBondContact O-N 3.18Å; F465-F468 HydrophobicContact CD2-CD1 4.3Å; F465-F468 HydrophobicContact CE2-CD1 4.15Å; F465-F468 HydrophobicContact CE2-CE1 4.33Å; F465-L624 HydrophobicContact CE2-CD1 4.07Å; F465-L624 HydrophobicContact CE2-CD2 4.26Å; F465-L624 HydrophobicContact CZ-CD2 4.42Å; F465-I645 HydrophobicContact CD1-CG2 3.53Å; F465-I645 HydrophobicContact CE1-CG2 3.55Å; F465-I645 HydrophobicContact CG-CG2 4.19Å; F465-I645 HydrophobicContact CZ-CG2 4.23Å; F465-M648 HydrophobicContact CB-CB 3.84Å; F465-M648 HydrophobicContact CD2-CE 4.05Å; F465-M648 HydrophobicContact CD2-SD 4.47Å; F465-M648 HydrophobicContact CE2-CE 4.24Å; F465-M648 HydrophobicContact CG-CB 4.49Å; F465-E649 HydrophobicContact CB-CG 4.02Å; F465-E649 HydrophobicContact CD1-CG 4.43Å |
| 466 | A | 78.7 | Confident | 82.2 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | trans | -66.5 | 152 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L462 R652 | L462-A466 PolarHBondContact O-N 3.1Å; A466-R652 VanDerWaalsContact O-CD 3.28Å; A466-R652 WeakPolarHBondContact O-CD 3.33Å; A466-R652 PolarHBondContact O-NE 2.84Å; A466-R652 VanDerWaalsContact O-NE 3.11Å | ||
| 467 | P | 83.5 | Confident | 82.3 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | cis | -75.8 | 157.3 | -1.4 | 32.7 | -35.5 | 0 | 0 | 0 | 113.1 | ||||
| 468 | F | 86.3 | Confident | 82.2 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | trans | -134.4 | 151.6 | 166.9 | 59.1 | -94 | 0 | 0 | 0 | 109.7 | L462 F465 D584 V586 L624 | L462-F468 HydrophobicContact CD2-CE1 4.35Å; F465-F468 HydrophobicContact CD2-CD1 4.3Å; F465-F468 HydrophobicContact CE2-CD1 4.15Å; F465-F468 HydrophobicContact CE2-CE1 4.33Å; F468-D584 CarbonylContact C-O 3.46Å; F468-D584 WeakPolarHBondContact CA-O 3.37Å; F468-D584 WeakPolarHBondContact CB-O 2.87Å; F468-V586 HydrophobicContact CB-CG2 3.95Å; F468-V586 HydrophobicContact CD2-CG2 3.9Å; F468-V586 HydrophobicContact CG-CG2 4.14Å; F468-L624 HydrophobicContact CD1-CD1 3.99Å; F468-L624 HydrophobicContact CD2-CD1 3.82Å; F468-L624 HydrophobicContact CE1-CD1 3.77Å; F468-L624 HydrophobicContact CE2-CD1 3.59Å; F468-L624 HydrophobicContact CG-CD1 4.02Å; F468-L624 HydrophobicContact CZ-CD1 3.56Å | ||
| 469 | D | 87.8 | Confident | 82.5 | Confident | 62 Ų | 62 | 54 Ų | 54 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | trans | -103.3 | 179.2 | 174.3 | 65.4 | 30.2 | 0 | 0 | 0 | 111.3 | K471 D584 S585 | D469-K471 PolarHBondContact O-N 2.99Å; D469-K471 WeakPolarHBondContact OD1-CA 3.41Å; D469-K471 WeakPolarHBondContact OD1-CB 3.47Å; D469-K471 PolarHBondContact OD1-N 2.93Å; D469-D584 HydrophobicContact CB-CB 4.44Å; D469-D584 PolarHBondContact N-O 2.85Å; D469-S585 VanDerWaalsContact OD1-CA 3.25Å; D469-S585 WeakPolarHBondContact OD1-CA 3.48Å; D469-S585 PolarHBondContact OD1-N 3.41Å | ||
| 470 | D | 87.6 | Confident | 83.1 | Confident | 120 Ų | 120 | 49.5 Ų | 49.5 | 64% | 0.642 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -76.4 | -3.7 | 178.3 | -74.9 | -33.7 | 0 | 0 | 0 | 113.7 | ||
| 471 | K | 91.3 | Very high | 83.9 | Confident | 128 Ų | 128 | 48.3 Ų | 48.3 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | trans | -78 | 130.2 | -179.4 | -173.9 | 178.5 | 169.2 | -171.4 | 0 | 109.5 | D469 S585 V586 | D469-K471 PolarHBondContact O-N 2.99Å; D469-K471 WeakPolarHBondContact OD1-CA 3.41Å; D469-K471 WeakPolarHBondContact OD1-CB 3.47Å; D469-K471 PolarHBondContact OD1-N 2.93Å; K471-S585 WeakPolarHBondContact CD-OG 3.3Å; K471-S585 CarbonylContact O-C 3.51Å; K471-S585 VanDerWaalsContact O-CA 3.23Å; K471-S585 WeakPolarHBondContact O-CA 3.41Å; K471-S585 WeakPolarHBondContact O-CB 3.43Å; K471-V586 PolarHBondContact O-N 3.39Å | ||
| 472 | I | 90.8 | Very high | 84.8 | Confident | 45 Ų | 45 | 43.1 Ų | 43.1 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.9 | 176.9 | -63.4 | 171.8 | 0 | 0 | 0 | 109.5 | V586 V588 F609 M613 A620 L623 | I472-V586 WeakPolarHBondContact CA-O 3.49Å; I472-V586 HydrophobicContact CG1-CB 4.43Å; I472-V588 HydrophobicContact CG2-CB 4.27Å; I472-V588 HydrophobicContact CG2-CG2 3.63Å; I472-F609 HydrophobicContact CG2-CE1 4.04Å; I472-M613 HydrophobicContact CD1-CE 3.62Å; I472-A620 HydrophobicContact CD1-CB 4.34Å; I472-A620 HydrophobicContact CG1-CB 4.13Å; I472-L623 HydrophobicContact CD1-CD2 4.18Å |
| 473 | I | 90.5 | Very high | 85.8 | Confident | 28 Ų | 28 | 40 Ų | 40 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109.6 | 170.9 | -64.6 | 175.6 | 0 | 0 | 0 | 108.1 | T582 S585 V586 L587 V588 F674 | I473-T582 HydrophobicContact CD1-CG2 4.13Å; I473-S585 WeakPolarHBondContact CD1-OG 3.29Å; I473-V586 PolarHBondContact N-O 2.83Å; I473-L587 HydrophobicContact CB-CD2 3.98Å; I473-L587 HydrophobicContact CD1-CD2 4.46Å; I473-L587 HydrophobicContact CG2-CD2 4.31Å; I473-V588 PolarHBondContact O-N 3.04Å; I473-F674 HydrophobicContact CG2-CE1 3.87Å; I473-F674 HydrophobicContact CG2-CZ 4.09Å |
| 474 | C | 90.8 | Very high | 86.5 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 143.3 | 172.6 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | V588 C590 E606 | C474-V588 CarbonylContact C-O 3.53Å; C474-V588 WeakPolarHBondContact CA-O 3.35Å; C474-C590 VanDerWaalsContact SG-SG 3.67Å; C474-E606 HydrophobicContact CB-CB 4.27Å; C474-E606 VanDerWaalsContact CB-CD 3.47Å; C474-E606 HydrophobicContact CB-CG 3.62Å |
| 475 | F | 87.7 | Confident | 87.2 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 143.5 | 169.5 | 66.7 | -84.1 | 0 | 0 | 0 | 111 | C479 F481 L587 V588 Y589 C590 L643 L647 F674 | F475-C479 HydrophobicContact CB-CB 3.89Å; F475-C479 HydrophobicContact CD2-CB 4.16Å; F475-C479 HydrophobicContact CG-CB 4.5Å; F475-F481 HydrophobicContact CD2-CB 4.34Å; F475-F481 HydrophobicContact CE2-CB 4.41Å; F475-L587 HydrophobicContact CE1-CB 4.03Å; F475-V588 VanDerWaalsContact CD1-O 3.3Å; F475-V588 WeakPolarHBondContact CD1-O 3.24Å; F475-V588 PolarHBondContact N-O 2.98Å; F475-Y589 HydrophobicContact CD2-CD2 4.05Å; F475-Y589 AromaticContact CE2-CD2 3.73Å; F475-Y589 HydrophobicContact CE2-CD2 3.73Å; F475-Y589 HydrophobicContact CE2-CG 4.02Å; F475-Y589 HydrophobicContact CZ-CD2 4.37Å; F475-Y589 HydrophobicContact CZ-CG 4.25Å; F475-Y589 WeakPolarHBondContact O-CA 3.43Å; F475-C590 PolarHBondContact O-N 3.32Å; F475-L643 HydrophobicContact CE2-CD2 3.9Å; F475-L643 HydrophobicContact CE2-CG 4.27Å; F475-L643 HydrophobicContact CZ-CD2 4.24Å; F475-L643 HydrophobicContact CZ-CG 4.13Å; F475-L647 HydrophobicContact CE1-CD1 4.2Å; F475-L647 HydrophobicContact CE2-CD1 4.13Å; F475-L647 HydrophobicContact CZ-CD1 3.61Å; F475-F674 HydrophobicContact CB-CD1 4.45Å; F475-F674 HydrophobicContact CB-CE1 4.36Å |
| 476 | G | 84.9 | Confident | 87.7 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | trans | -95.9 | -175.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D478 C479 | G476-D478 VanDerWaalsContact C-N 3.3Å; G476-D478 PolarHBondContact O-N 3.09Å; G476-C479 VanDerWaalsContact O-CB 3.26Å; G476-C479 WeakPolarHBondContact O-CB 3.03Å; G476-C479 PolarHBondContact O-N 3.32Å | ||
| 477 | I | 82.2 | Confident | 88.2 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -26.6 | -179.5 | -158.8 | -167.5 | 0 | 0 | 0 | 113 | C479 H482 R484 Y589 I682 E684 | I477-C479 VanDerWaalsContact C-N 3.32Å; I477-H482 WeakPolarHBondContact O-CB 3.18Å; I477-R484 VanDerWaalsContact C-NH2 3.34Å; I477-R484 PolarHBondContact O-NE 2.95Å; I477-R484 PolarHBondContact O-NH2 2.91Å; I477-R484 VanDerWaalsContact O-NH2 3.16Å; I477-Y589 HydrophobicContact CB-CE2 4.38Å; I477-I682 WeakPolarHBondContact CD1-O 3.19Å; I477-E684 HydrophobicContact CD1-CG 3.53Å |
| 478 | D | 80.2 | Confident | 88.6 | Confident | 70 Ų | 70 | 38.9 Ų | 38.9 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -12.4 | 174.9 | -60.6 | -79.5 | 0 | 0 | 0 | 113.9 | G476 R484 | G476-D478 VanDerWaalsContact C-N 3.3Å; G476-D478 PolarHBondContact O-N 3.09Å; D478-R484 IonicContact OD1-CZ 3.82Å; D478-R484 IonicContact OD1-NH2 3.46Å; D478-R484 PolarHBondContact OD1-NH2 2.66Å; D478-R484 IonicContact OD2-NH2 3.61Å; D478-R484 PolarHBondContact OD2-NH2 3.08Å |
| 479 | C | 84.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -64.4 | 142.5 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | F475 G476 I477 F481 H482 Y673 | F475-C479 HydrophobicContact CB-CB 3.89Å; F475-C479 HydrophobicContact CD2-CB 4.16Å; F475-C479 HydrophobicContact CG-CB 4.5Å; G476-C479 VanDerWaalsContact O-CB 3.26Å; G476-C479 WeakPolarHBondContact O-CB 3.03Å; G476-C479 PolarHBondContact O-N 3.32Å; I477-C479 VanDerWaalsContact C-N 3.32Å; C479-F481 PolarHBondContact O-N 3.19Å; C479-F481 VanDerWaalsContact O-N 3.11Å; C479-F481 PolarHBondContact SG-N 3.2Å; C479-F481 VanDerWaalsContact SG-N 3.38Å; C479-H482 WeakPolarHBondContact O-CB 3.38Å; C479-H482 PolarHBondContact O-N 3.15Å; C479-Y673 WeakPolarHBondContact CA-O 3.47Å; C479-Y673 PolarHBondContact SG-O 3.43Å |
| 480 | A | 87.5 | Confident | 89 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | H482 Y485 K568 L575 Y673 | A480-H482 VanDerWaalsContact C-N 3.29Å; A480-Y485 HydrophobicContact CB-CD1 4.15Å; A480-Y485 HydrophobicContact CB-CD2 3.84Å; A480-Y485 HydrophobicContact CB-CE1 4.08Å; A480-Y485 HydrophobicContact CB-CE2 3.76Å; A480-Y485 HydrophobicContact CB-CG 4.03Å; A480-K568 VanDerWaalsContact O-CE 3.25Å; A480-K568 WeakPolarHBondContact O-CE 3.28Å; A480-K568 PolarHBondContact O-NZ 3.01Å; A480-L575 HydrophobicContact CB-CD2 3.79Å; A480-Y673 HydrophobicContact CB-CD1 3.52Å; A480-Y673 HydrophobicContact CB-CG 4.18Å; A480-Y673 PolarHBondContact N-O 2.87Å |
| 481 | F | 90.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -29.4 | 168.4 | -63.6 | -17.5 | 0 | 0 | 0 | 112.1 | F475 C479 K568 F569 A578 L579 T582 L647 F674 | F475-F481 HydrophobicContact CD2-CB 4.34Å; F475-F481 HydrophobicContact CE2-CB 4.41Å; C479-F481 PolarHBondContact O-N 3.19Å; C479-F481 VanDerWaalsContact O-N 3.11Å; C479-F481 PolarHBondContact SG-N 3.2Å; C479-F481 VanDerWaalsContact SG-N 3.38Å; F481-K568 PolarHBondContact O-NZ 3.24Å; F481-K568 VanDerWaalsContact O-NZ 3.12Å; F481-F569 HydrophobicContact CD1-CE1 4.15Å; F481-F569 HydrophobicContact CD1-CZ 4.24Å; F481-A578 HydrophobicContact CE1-CB 3.95Å; F481-A578 HydrophobicContact CZ-CB 4.33Å; F481-L579 HydrophobicContact CE1-CB 4.23Å; F481-T582 HydrophobicContact CE2-CG2 3.87Å; F481-T582 HydrophobicContact CZ-CG2 3.92Å; F481-L647 HydrophobicContact CB-CD1 3.89Å; F481-F674 HydrophobicContact CE2-CE1 4.29Å; F481-F674 HydrophobicContact CE2-CZ 4.02Å; F481-F674 HydrophobicContact CZ-CZ 4.4Å |
| 482 | H | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -61.3 | 134.6 | -177.6 | -164.7 | -90.5 | 0 | 0 | 0 | 111.7 | I477 C479 A480 R484 Y485 Y502 K568 Y589 E684 | I477-H482 WeakPolarHBondContact O-CB 3.18Å; C479-H482 WeakPolarHBondContact O-CB 3.38Å; C479-H482 PolarHBondContact O-N 3.15Å; A480-H482 VanDerWaalsContact C-N 3.29Å; H482-R484 WeakPolarHBondContact ND1-CB 3.48Å; H482-R484 VanDerWaalsContact ND1-CG 3.33Å; H482-R484 WeakPolarHBondContact ND1-CG 3.46Å; H482-R484 PolarHBondContact ND1-N 3.03Å; H482-R484 VanDerWaalsContact ND1-N 3.15Å; H482-R484 PolarHBondContact O-N 3.09Å; H482-R484 VanDerWaalsContact O-N 3.17Å; H482-Y485 WeakPolarHBondContact O-CB 3.49Å; H482-Y485 PolarHBondContact O-N 3.3Å; H482-Y502 AromaticContact CE1-CE2 3.69Å; H482-Y502 AromaticContact CE1-CZ 3.72Å; H482-K568 PolarHBondContact O-NZ 2.93Å; H482-Y589 AromaticContact CD2-CE2 3.53Å; H482-Y589 AromaticContact CD2-CZ 3.59Å; H482-Y589 AromaticContact NE2-CE2 3.94Å; H482-Y589 AromaticContact NE2-CZ 3.48Å; H482-Y589 PolarHBondContact NE2-OH 2.78Å; H482-E684 IonicContact CE1-OE1 3.57Å; H482-E684 PolarHBondContact CE1-OE1 2.81Å; H482-E684 IonicContact NE2-OE1 3.81Å; H482-E684 PolarHBondContact NE2-OE1 3.46Å |
| 483 | P | 93.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.5 | -177.2 | 28 | -41.2 | 0 | 0 | 0 | 114.7 | Y485 A501 Y502 L561 L643 | P483-Y485 VanDerWaalsContact C-N 3.3Å; P483-A501 HydrophobicContact CB-CB 3.93Å; P483-A501 PolarHBondContact O-N 3.18Å; P483-Y502 HydrophobicContact CB-CD1 3.43Å; P483-Y502 VanDerWaalsContact CB-CD1 3.43Å; P483-Y502 HydrophobicContact CB-CE1 3.63Å; P483-Y502 HydrophobicContact CB-CG 4.18Å; P483-Y502 HydrophobicContact CG-CD1 3.44Å; P483-Y502 VanDerWaalsContact CG-CD1 3.44Å; P483-Y502 HydrophobicContact CG-CE1 3.05Å; P483-Y502 HydrophobicContact CG-CE2 4.38Å; P483-Y502 HydrophobicContact CG-CG 4.27Å; P483-Y502 PolarHBondContact O-N 2.95Å; P483-L561 HydrophobicContact CB-CD1 3.71Å; P483-L561 HydrophobicContact CG-CD1 3.84Å; P483-L643 HydrophobicContact CG-CD1 4.43Å |
| 484 | R | 90.2 | Very high | 85.8 | Confident | 24 Ų | 24 | 38.9 Ų | 38.9 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -24.1 | 170.8 | 96 | -177.1 | 168.9 | 133.4 | 2 | 113.4 | I477 D478 H482 S486 Y502 P528 | I477-R484 VanDerWaalsContact C-NH2 3.34Å; I477-R484 PolarHBondContact O-NE 2.95Å; I477-R484 PolarHBondContact O-NH2 2.91Å; I477-R484 VanDerWaalsContact O-NH2 3.16Å; D478-R484 IonicContact OD1-CZ 3.82Å; D478-R484 IonicContact OD1-NH2 3.46Å; D478-R484 PolarHBondContact OD1-NH2 2.66Å; D478-R484 IonicContact OD2-NH2 3.61Å; D478-R484 PolarHBondContact OD2-NH2 3.08Å; H482-R484 WeakPolarHBondContact ND1-CB 3.48Å; H482-R484 VanDerWaalsContact ND1-CG 3.33Å; H482-R484 WeakPolarHBondContact ND1-CG 3.46Å; H482-R484 PolarHBondContact ND1-N 3.03Å; H482-R484 VanDerWaalsContact ND1-N 3.15Å; H482-R484 PolarHBondContact O-N 3.09Å; H482-R484 VanDerWaalsContact O-N 3.17Å; R484-S486 PolarHBondContact O-N 3.41Å; R484-Y502 HydrophobicContact CB-CD2 3.68Å; R484-Y502 HydrophobicContact CB-CE2 4.05Å; R484-Y502 HydrophobicContact CB-CG 4.41Å; R484-P528 VanDerWaalsContact O-CB 3.25Å; R484-P528 WeakPolarHBondContact O-CB 3.3Å |
| 485 | Y | 90.4 | Very high | 84.5 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 35% | 0.349 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -52.9 | 130.8 | -176.3 | -178.6 | -97.2 | 0 | 0 | 0 | 110.5 | A480 H482 P483 S487 S500 L575 | A480-Y485 HydrophobicContact CB-CD1 4.15Å; A480-Y485 HydrophobicContact CB-CD2 3.84Å; A480-Y485 HydrophobicContact CB-CE1 4.08Å; A480-Y485 HydrophobicContact CB-CE2 3.76Å; A480-Y485 HydrophobicContact CB-CG 4.03Å; H482-Y485 WeakPolarHBondContact O-CB 3.49Å; H482-Y485 PolarHBondContact O-N 3.3Å; P483-Y485 VanDerWaalsContact C-N 3.3Å; Y485-S487 PolarHBondContact O-N 3.06Å; Y485-S487 PolarHBondContact O-OG 3.26Å; Y485-S500 WeakPolarHBondContact O-CB 3.16Å; Y485-L575 HydrophobicContact CD1-CD1 4.39Å; Y485-L575 HydrophobicContact CE1-CD1 4.34Å; Y485-L575 HydrophobicContact CE1-CD2 4.49Å |
| 486 | S | 89.5 | Confident | 84.1 | Confident | 80 Ų | 80 | 52.6 Ų | 52.6 | 56% | 0.559 | 28% | 0.283 | S | S | * | . | trans | -66.6 | 95.6 | -175.3 | -166.7 | 0 | 0 | 0 | 0 | 110 | R484 | R484-S486 PolarHBondContact O-N 3.41Š| ||
| 487 | S | 90 | Very high | 84.2 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | trans | -144.6 | 94.7 | -175.7 | 43.5 | 0 | 0 | 0 | 0 | 106.7 | Y485 I489 P499 K568 | Y485-S487 PolarHBondContact O-N 3.06Å; Y485-S487 PolarHBondContact O-OG 3.26Å; S487-I489 PolarHBondContact O-N 2.8Å; S487-P499 CarbonylContact C-O 3.27Å; S487-P499 PolarHBondContact N-O 2.99Å; S487-K568 WeakPolarHBondContact OG-CD 3.37Å; S487-K568 VanDerWaalsContact OG-CE 3.31Å; S487-K568 WeakPolarHBondContact OG-CE 3.48Å | ||
| 488 | P | 91.9 | Very high | 84.7 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 41% | 0.409 | 30% | 0.296 | S | S | . | . | trans | -58.7 | 131.9 | -174.2 | -27.2 | 35.1 | 0 | 0 | 0 | 111.5 | Y498 H572 | P488-Y498 CarbonylContact C-O 3.29Å; P488-Y498 WeakPolarHBondContact CA-O 3.27Å; P488-H572 PolarHBondContact O-NE2 3.22Å | ||
| 489 | I | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137 | 177.2 | 61.3 | 171.6 | 0 | 0 | 0 | 111.2 | S487 Y498 A501 F504 A564 L567 K568 | S487-I489 PolarHBondContact O-N 2.8Å; I489-Y498 PolarHBondContact N-O 3.41Å; I489-Y498 PolarHBondContact O-N 3.01Å; I489-A501 HydrophobicContact CD1-CB 4.41Å; I489-F504 HydrophobicContact CD1-CB 3.67Å; I489-F504 HydrophobicContact CD1-CG 4.09Å; I489-F504 HydrophobicContact CG1-CB 4.39Å; I489-A564 HydrophobicContact CD1-CB 4.17Å; I489-L567 HydrophobicContact CB-CB 4.37Å; I489-L567 HydrophobicContact CD1-CB 4.38Å; I489-L567 HydrophobicContact CG2-CB 4.42Å; I489-K568 HydrophobicContact CG2-CB 3.88Å |
| 490 | T | 91 | Very high | 85.7 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 37% | 0.368 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127 | 175.5 | -53.9 | 0 | 0 | 0 | 0 | 109.2 | Q571 | T490-Q571 PolarHBondContact O-NE2 3.29Å |
| 491 | F | 83.3 | Confident | 86.1 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 25% | 0.25 | 29% | 0.291 | C | S | . | . | trans | -80.3 | 133.2 | 176.7 | -165.7 | -93.2 | 0 | 0 | 0 | 109.8 | N493 K494 F504 L563 L567 | F491-N493 PolarHBondContact O-N 2.87Å; F491-K494 HydrophobicContact CB-CB 4.28Å; F491-K494 HydrophobicContact CB-CD 4.14Å; F491-K494 HydrophobicContact CB-CG 4.5Å; F491-K494 HydrophobicContact CD1-CD 4.08Å; F491-K494 HydrophobicContact CD1-CG 4.3Å; F491-K494 HydrophobicContact CG-CD 4.38Å; F491-K494 PolarHBondContact O-N 3.13Å; F491-F504 HydrophobicContact CB-CE2 4.12Å; F491-F504 AromaticContact CD2-CE2 3.45Å; F491-F504 HydrophobicContact CD2-CE2 3.45Å; F491-F504 VanDerWaalsContact CD2-CE2 3.45Å; F491-F504 AromaticContact CD2-CZ 3.64Å; F491-F504 HydrophobicContact CD2-CZ 3.64Å; F491-F504 HydrophobicContact CE2-CE2 4.19Å; F491-F504 AromaticContact CE2-CZ 3.92Å; F491-F504 HydrophobicContact CE2-CZ 3.92Å; F491-F504 HydrophobicContact CG-CE2 4.02Å; F491-L563 HydrophobicContact CE2-CD1 4.4Å; F491-L563 HydrophobicContact CE2-CD2 3.92Å; F491-L563 HydrophobicContact CE2-CG 4.29Å; F491-L567 HydrophobicContact CD2-CD1 3.54Å; F491-L567 HydrophobicContact CE2-CD1 4.07Å | ||
| 492 | P | 73.1 | Confident | 86.3 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 132.9 | 178.6 | -24.1 | 32.7 | 0 | 0 | 0 | 111.3 | K494 L567 | P492-K494 VanDerWaalsContact C-N 3.29Å; P492-K494 PolarHBondContact O-N 3.33Å; P492-L567 HydrophobicContact CG-CD2 4.43Å |
| 493 | N | 67.6 | Low | 86.4 | Confident | 178 Ų | 178 | 53.6 Ų | 53.6 | 95% | 0.952 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 1.6 | -175.6 | -47.9 | -28.3 | 0 | 0 | 0 | 116.6 | F491 | F491-N493 PolarHBondContact O-N 2.87Š|
| 494 | K | 67.3 | Low | 86.4 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | trans | -108.8 | 128.8 | 168.7 | -68.1 | 179.5 | 175.9 | 164.5 | 0 | 108.9 | F491 P492 L496 E508 | F491-K494 HydrophobicContact CB-CB 4.28Å; F491-K494 HydrophobicContact CB-CD 4.14Å; F491-K494 HydrophobicContact CB-CG 4.5Å; F491-K494 HydrophobicContact CD1-CD 4.08Å; F491-K494 HydrophobicContact CD1-CG 4.3Å; F491-K494 HydrophobicContact CG-CD 4.38Å; F491-K494 PolarHBondContact O-N 3.13Å; P492-K494 VanDerWaalsContact C-N 3.29Å; P492-K494 PolarHBondContact O-N 3.33Å; K494-L496 PolarHBondContact O-N 3.2Å; K494-L496 VanDerWaalsContact O-N 3.15Å; K494-E508 IonicContact NZ-OE1 3.48Å; K494-E508 PolarHBondContact NZ-OE1 2.76Å | ||
| 495 | M | 64.4 | Low | 86.7 | Confident | 205 Ų | 205 | 52.6 Ų | 52.6 | 100% | 1.01 | 29% | 0.288 | S | S | * | . | trans | -71.1 | 1.1 | 172.6 | -78 | -164.3 | 155 | 0 | 0 | 113.7 | ||||
| 496 | L | 79.7 | Confident | 86.9 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 120.3 | -175.7 | -152.9 | 82.6 | 0 | 0 | 0 | 110.6 | K494 Y498 | K494-L496 PolarHBondContact O-N 3.2Å; K494-L496 VanDerWaalsContact O-N 3.15Å; L496-Y498 HydrophobicContact CD2-CE1 3.91Å; L496-Y498 HydrophobicContact CD2-CE2 4.47Å |
| 497 | S | 87.3 | Confident | 87.2 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 46% | 0.462 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.8 | 169 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 498 | Y | 91.9 | Very high | 87.3 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 134.5 | 177.4 | -62.4 | -88.2 | 0 | 0 | 0 | 109.6 | P488 I489 L496 S500 H503 F504 I507 | P488-Y498 CarbonylContact C-O 3.29Å; P488-Y498 WeakPolarHBondContact CA-O 3.27Å; I489-Y498 PolarHBondContact N-O 3.41Å; I489-Y498 PolarHBondContact O-N 3.01Å; L496-Y498 HydrophobicContact CD2-CE1 3.91Å; L496-Y498 HydrophobicContact CD2-CE2 4.47Å; Y498-S500 VanDerWaalsContact C-N 3.26Å; Y498-S500 PolarHBondContact O-N 3.37Å; Y498-H503 HydrophobicContact CD1-CB 4.48Å; Y498-F504 HydrophobicContact CD1-CB 4.32Å; Y498-F504 HydrophobicContact CD2-CB 4.25Å; Y498-F504 AromaticContact CD2-CD2 3.77Å; Y498-F504 HydrophobicContact CD2-CD2 3.77Å; Y498-F504 AromaticContact CE2-CD2 3.64Å; Y498-F504 HydrophobicContact CE2-CD2 3.64Å; Y498-F504 HydrophobicContact CE2-CE2 4.29Å; Y498-F504 HydrophobicContact CG-CB 4.01Å; Y498-F504 HydrophobicContact CG-CD2 4.33Å; Y498-I507 HydrophobicContact CD1-CD1 3.72Å; Y498-I507 HydrophobicContact CE1-CB 4.15Å; Y498-I507 HydrophobicContact CE1-CD1 3.71Å; Y498-I507 HydrophobicContact CE1-CG2 4Å |
| 499 | P | 92 | Very high | 87.5 | Confident | 43 Ų | 43 | 43 Ų | 43 | 28% | 0.279 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -61.6 | -28 | -174.9 | -24.4 | 32.1 | 0 | 0 | 0 | 115.5 | S487 | S487-P499 CarbonylContact C-O 3.27Å; S487-P499 PolarHBondContact N-O 2.99Å |
| 500 | S | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -152.3 | 168 | 176.4 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | Y485 Y498 Y502 H503 F504 | Y485-S500 WeakPolarHBondContact O-CB 3.16Å; Y498-S500 VanDerWaalsContact C-N 3.26Å; Y498-S500 PolarHBondContact O-N 3.37Å; S500-Y502 PolarHBondContact O-N 3.3Å; S500-H503 WeakPolarHBondContact O-CB 3.49Å; S500-H503 PolarHBondContact O-N 3.01Å; S500-H503 VanDerWaalsContact O-N 3.12Å; S500-H503 PolarHBondContact OG-N 3.32Å; S500-H503 PolarHBondContact OG-ND1 2.93Å; S500-F504 PolarHBondContact O-N 2.91Å |
| 501 | A | 95.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.7 | -38.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P483 I489 H503 F504 V505 A564 K568 | P483-A501 HydrophobicContact CB-CB 3.93Å; P483-A501 PolarHBondContact O-N 3.18Å; I489-A501 HydrophobicContact CD1-CB 4.41Å; A501-H503 PolarHBondContact O-N 3.05Å; A501-F504 WeakPolarHBondContact O-CB 3.27Å; A501-F504 PolarHBondContact O-N 3.09Å; A501-V505 WeakPolarHBondContact O-CG2 3.33Å; A501-V505 PolarHBondContact O-N 3.45Å; A501-A564 HydrophobicContact CB-CB 3.8Å; A501-K568 HydrophobicContact CB-CD 4.36Å |
| 502 | Y | 94.2 | Very high | 88.1 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 173.7 | -94.2 | 4.4 | 0 | 0 | 0 | 114.4 | H482 P483 R484 S500 F504 V505 F506 V531 L561 L600 E684 | H482-Y502 AromaticContact CE1-CE2 3.69Å; H482-Y502 AromaticContact CE1-CZ 3.72Å; P483-Y502 HydrophobicContact CB-CD1 3.43Å; P483-Y502 VanDerWaalsContact CB-CD1 3.43Å; P483-Y502 HydrophobicContact CB-CE1 3.63Å; P483-Y502 HydrophobicContact CB-CG 4.18Å; P483-Y502 HydrophobicContact CG-CD1 3.44Å; P483-Y502 VanDerWaalsContact CG-CD1 3.44Å; P483-Y502 HydrophobicContact CG-CE1 3.05Å; P483-Y502 HydrophobicContact CG-CE2 4.38Å; P483-Y502 HydrophobicContact CG-CG 4.27Å; P483-Y502 PolarHBondContact O-N 2.95Å; R484-Y502 HydrophobicContact CB-CD2 3.68Å; R484-Y502 HydrophobicContact CB-CE2 4.05Å; R484-Y502 HydrophobicContact CB-CG 4.41Å; S500-Y502 PolarHBondContact O-N 3.3Å; Y502-F504 VanDerWaalsContact C-N 3.3Å; Y502-F504 PolarHBondContact O-N 3.38Å; Y502-V505 PolarHBondContact O-N 3.33Å; Y502-F506 HydrophobicContact CD1-CE2 4.02Å; Y502-F506 AromaticContact CD2-CE2 3.75Å; Y502-F506 HydrophobicContact CD2-CE2 3.75Å; Y502-F506 HydrophobicContact CE1-CE2 4.44Å; Y502-F506 HydrophobicContact CE2-CE2 4.22Å; Y502-F506 HydrophobicContact CG-CD2 4.32Å; Y502-F506 AromaticContact CG-CE2 3.66Å; Y502-F506 HydrophobicContact CG-CE2 3.66Å; Y502-F506 WeakPolarHBondContact O-CD2 3.39Å; Y502-F506 PolarHBondContact O-N 2.98Å; Y502-V531 HydrophobicContact CD2-CG1 4.24Å; Y502-L561 HydrophobicContact CD1-CD1 4.4Å; Y502-L561 HydrophobicContact CE1-CD1 4.18Å; Y502-L600 WeakPolarHBondContact OH-CD2 3.43Å; Y502-E684 WeakPolarHBondContact CE2-OE1 3.44Å; Y502-E684 VanDerWaalsContact OH-CD 3.32Å; Y502-E684 PolarHBondContact OH-OE1 2.83Å; Y502-E684 PolarHBondContact OH-OE2 3.39Å; Y502-E684 VanDerWaalsContact OH-OE2 3.13Å |
| 503 | H | 95 | Very high | 89 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 174.8 | -76.8 | 91 | 0 | 0 | 0 | 111.7 | Y498 S500 A501 V505 I507 L523 E526 P528 | Y498-H503 HydrophobicContact CD1-CB 4.48Å; S500-H503 WeakPolarHBondContact O-CB 3.49Å; S500-H503 PolarHBondContact O-N 3.01Å; S500-H503 VanDerWaalsContact O-N 3.12Å; S500-H503 PolarHBondContact OG-N 3.32Å; S500-H503 PolarHBondContact OG-ND1 2.93Å; A501-H503 PolarHBondContact O-N 3.05Å; H503-V505 PolarHBondContact O-N 3.41Å; H503-I507 HydrophobicContact CB-CD1 4.47Å; H503-I507 VanDerWaalsContact O-CB 3.24Å; H503-I507 WeakPolarHBondContact O-CB 3.5Å; H503-I507 WeakPolarHBondContact O-CD1 3.41Å; H503-I507 WeakPolarHBondContact O-CG1 3.48Å; H503-I507 PolarHBondContact O-N 2.82Å; H503-L523 PolarHBondContact CD2-O 3.11Å; H503-E526 PolarHBondContact NE2-O 3.4Å; H503-P528 VanDerWaalsContact CE1-CA 3.49Å; H503-P528 WeakPolarHBondContact CE1-CA 3.4Å |
| 504 | F | 94.8 | Very high | 90 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 176.1 | 175.4 | -86.7 | 0 | 0 | 0 | 111.4 | I489 F491 Y498 S500 A501 Y502 F506 I507 E508 L563 A564 | I489-F504 HydrophobicContact CD1-CB 3.67Å; I489-F504 HydrophobicContact CD1-CG 4.09Å; I489-F504 HydrophobicContact CG1-CB 4.39Å; F491-F504 HydrophobicContact CB-CE2 4.12Å; F491-F504 AromaticContact CD2-CE2 3.45Å; F491-F504 HydrophobicContact CD2-CE2 3.45Å; F491-F504 VanDerWaalsContact CD2-CE2 3.45Å; F491-F504 AromaticContact CD2-CZ 3.64Å; F491-F504 HydrophobicContact CD2-CZ 3.64Å; F491-F504 HydrophobicContact CE2-CE2 4.19Å; F491-F504 AromaticContact CE2-CZ 3.92Å; F491-F504 HydrophobicContact CE2-CZ 3.92Å; F491-F504 HydrophobicContact CG-CE2 4.02Å; Y498-F504 HydrophobicContact CD1-CB 4.32Å; Y498-F504 HydrophobicContact CD2-CB 4.25Å; Y498-F504 AromaticContact CD2-CD2 3.77Å; Y498-F504 HydrophobicContact CD2-CD2 3.77Å; Y498-F504 AromaticContact CE2-CD2 3.64Å; Y498-F504 HydrophobicContact CE2-CD2 3.64Å; Y498-F504 HydrophobicContact CE2-CE2 4.29Å; Y498-F504 HydrophobicContact CG-CB 4.01Å; Y498-F504 HydrophobicContact CG-CD2 4.33Å; S500-F504 PolarHBondContact O-N 2.91Å; A501-F504 WeakPolarHBondContact O-CB 3.27Å; A501-F504 PolarHBondContact O-N 3.09Å; Y502-F504 VanDerWaalsContact C-N 3.3Å; Y502-F504 PolarHBondContact O-N 3.38Å; F504-F506 PolarHBondContact O-N 2.83Å; F504-I507 PolarHBondContact O-N 3.3Å; F504-E508 HydrophobicContact CD1-CG 4.31Å; F504-E508 HydrophobicContact CD2-CG 4.42Å; F504-E508 HydrophobicContact CE1-CG 4Å; F504-E508 HydrophobicContact CE2-CG 4.09Å; F504-E508 HydrophobicContact CZ-CG 3.88Å; F504-E508 WeakPolarHBondContact O-CB 3.05Å; F504-E508 WeakPolarHBondContact O-CG 3.4Å; F504-E508 PolarHBondContact O-N 2.9Å; F504-L563 HydrophobicContact CE1-CD2 4.28Å; F504-L563 HydrophobicContact CE1-CG 4.45Å; F504-L563 HydrophobicContact CZ-CD2 4.19Å; F504-A564 HydrophobicContact CB-CB 4.42Å; F504-A564 HydrophobicContact CD1-CB 3.66Å; F504-A564 HydrophobicContact CE1-CB 4.35Å; F504-A564 HydrophobicContact CG-CB 4.34Å |
| 505 | V | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -53.3 | -178.6 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | A501 Y502 H503 E508 G509 W552 F557 R560 L561 A564 | A501-V505 WeakPolarHBondContact O-CG2 3.33Å; A501-V505 PolarHBondContact O-N 3.45Å; Y502-V505 PolarHBondContact O-N 3.33Å; H503-V505 PolarHBondContact O-N 3.41Å; V505-E508 PolarHBondContact O-N 3.35Å; V505-G509 PolarHBondContact O-N 3.47Å; V505-W552 HydrophobicContact CG1-CH2 3.94Å; V505-W552 HydrophobicContact CG1-CZ2 4.31Å; V505-W552 WeakPolarHBondContact O-CH2 3.42Å; V505-F557 HydrophobicContact CG1-CD2 3.67Å; V505-F557 HydrophobicContact CG1-CE2 3.71Å; V505-R560 HydrophobicContact CG1-CB 4.41Å; V505-R560 HydrophobicContact CG2-CB 4.45Å; V505-L561 HydrophobicContact CG2-CB 4.27Å; V505-L561 HydrophobicContact CG2-CD1 4.19Å; V505-A564 HydrophobicContact CG2-CB 3.72Å |
| 506 | F | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -74.2 | -29.3 | -174.3 | -63.2 | -59.6 | 0 | 0 | 0 | 113.3 | Y502 F504 G509 C510 L523 V531 C532 F535 W552 F557 W596 | Y502-F506 HydrophobicContact CD1-CE2 4.02Å; Y502-F506 AromaticContact CD2-CE2 3.75Å; Y502-F506 HydrophobicContact CD2-CE2 3.75Å; Y502-F506 HydrophobicContact CE1-CE2 4.44Å; Y502-F506 HydrophobicContact CE2-CE2 4.22Å; Y502-F506 HydrophobicContact CG-CD2 4.32Å; Y502-F506 AromaticContact CG-CE2 3.66Å; Y502-F506 HydrophobicContact CG-CE2 3.66Å; Y502-F506 WeakPolarHBondContact O-CD2 3.39Å; Y502-F506 PolarHBondContact O-N 2.98Å; F504-F506 PolarHBondContact O-N 2.83Å; F506-G509 CarbonylContact O-C 3.56Å; F506-G509 PolarHBondContact O-N 2.79Å; F506-C510 PolarHBondContact O-N 3.48Å; F506-C510 PolarHBondContact O-SG 3.3Å; F506-L523 HydrophobicContact CB-CD2 3.68Å; F506-V531 HydrophobicContact CD2-CG1 3.98Å; F506-V531 HydrophobicContact CD2-CG2 4.08Å; F506-V531 HydrophobicContact CE2-CG1 4.17Å; F506-C532 HydrophobicContact CE2-CB 3.76Å; F506-C532 HydrophobicContact CZ-CB 3.79Å; F506-C532 VanDerWaalsContact CZ-SG 3.59Å; F506-F535 HydrophobicContact CB-CB 4.12Å; F506-F535 HydrophobicContact CB-CD2 3.89Å; F506-F535 HydrophobicContact CB-CE2 4.5Å; F506-F535 HydrophobicContact CB-CG 4Å; F506-F535 HydrophobicContact CD1-CB 3.87Å; F506-F535 AromaticContact CD1-CD1 3.39Å; F506-F535 HydrophobicContact CD1-CD1 3.39Å; F506-F535 HydrophobicContact CD1-CD2 4.06Å; F506-F535 AromaticContact CD1-CE1 3.87Å; F506-F535 HydrophobicContact CD1-CE1 3.87Å; F506-F535 HydrophobicContact CD1-CE2 4.47Å; F506-F535 AromaticContact CD1-CG 3.5Å; F506-F535 HydrophobicContact CD1-CG 3.5Å; F506-F535 VanDerWaalsContact CD1-CG 3.5Å; F506-F535 HydrophobicContact CD1-CZ 4.38Å; F506-F535 HydrophobicContact CE1-CB 4.47Å; F506-F535 AromaticContact CE1-CD1 3.78Å; F506-F535 HydrophobicContact CE1-CD1 3.78Å; F506-F535 HydrophobicContact CE1-CE1 4.3Å; F506-F535 HydrophobicContact CE1-CG 4.24Å; F506-F535 HydrophobicContact CG-CB 4.01Å; F506-F535 HydrophobicContact CG-CD1 4.33Å; F506-F535 HydrophobicContact CG-CD2 4.37Å; F506-F535 AromaticContact CG-CG 3.99Å; F506-F535 HydrophobicContact CG-CG 3.99Å; F506-W552 HydrophobicContact CD1-CZ2 4.42Å; F506-F557 HydrophobicContact CE1-CE2 4.03Å; F506-F557 HydrophobicContact CZ-CE2 4.29Å; F506-W596 AromaticContact CE1-CZ2 3.89Å; F506-W596 HydrophobicContact CE1-CZ2 3.89Å; F506-W596 HydrophobicContact CZ-CH2 4.15Å; F506-W596 AromaticContact CZ-CZ2 3.81Å; F506-W596 HydrophobicContact CZ-CZ2 3.81Å |
| 507 | I | 94 | Very high | 92.4 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.3 | -41 | 171.7 | -70.8 | 164.6 | 0 | 0 | 0 | 111 | Y498 H503 F504 G509 C510 K511 Q520 L523 A524 | Y498-I507 HydrophobicContact CD1-CD1 3.72Å; Y498-I507 HydrophobicContact CE1-CB 4.15Å; Y498-I507 HydrophobicContact CE1-CD1 3.71Å; Y498-I507 HydrophobicContact CE1-CG2 4Å; H503-I507 HydrophobicContact CB-CD1 4.47Å; H503-I507 VanDerWaalsContact O-CB 3.24Å; H503-I507 WeakPolarHBondContact O-CB 3.5Å; H503-I507 WeakPolarHBondContact O-CD1 3.41Å; H503-I507 WeakPolarHBondContact O-CG1 3.48Å; H503-I507 PolarHBondContact O-N 2.82Å; F504-I507 PolarHBondContact O-N 3.3Å; I507-G509 VanDerWaalsContact C-N 3.26Å; I507-G509 PolarHBondContact O-N 2.96Å; I507-C510 WeakPolarHBondContact O-CB 3.22Å; I507-C510 PolarHBondContact O-N 3.4Å; I507-K511 WeakPolarHBondContact O-CG 3.48Å; I507-K511 PolarHBondContact O-N 3.28Å; I507-K511 VanDerWaalsContact O-N 3.08Å; I507-Q520 HydrophobicContact CG2-CB 4.33Å; I507-L523 HydrophobicContact CG1-CD2 4.24Å; I507-A524 HydrophobicContact CD1-CB 3.72Å |
| 508 | E | 93.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 31.3 Ų | 31.3 | 13% | 0.126 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.6 | -31.4 | 171.8 | -68.7 | -67.9 | 138.2 | 0 | 0 | 111.4 | K494 F504 V505 K511 F512 R560 | K494-E508 IonicContact NZ-OE1 3.48Å; K494-E508 PolarHBondContact NZ-OE1 2.76Å; F504-E508 HydrophobicContact CD1-CG 4.31Å; F504-E508 HydrophobicContact CD2-CG 4.42Å; F504-E508 HydrophobicContact CE1-CG 4Å; F504-E508 HydrophobicContact CE2-CG 4.09Å; F504-E508 HydrophobicContact CZ-CG 3.88Å; F504-E508 WeakPolarHBondContact O-CB 3.05Å; F504-E508 WeakPolarHBondContact O-CG 3.4Å; F504-E508 PolarHBondContact O-N 2.9Å; V505-E508 PolarHBondContact O-N 3.35Å; E508-K511 PolarHBondContact O-N 2.94Å; E508-K511 IonicContact OE1-NZ 3.69Å; E508-K511 PolarHBondContact OE1-NZ 3.15Å; E508-F512 WeakPolarHBondContact O-CB 3.39Å; E508-F512 PolarHBondContact O-N 3.06Å; E508-R560 HydrophobicContact CB-CG 4.49Å |
| 509 | G | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V505 F506 I507 K511 F512 L513 | V505-G509 PolarHBondContact O-N 3.47Å; F506-G509 CarbonylContact O-C 3.56Å; F506-G509 PolarHBondContact O-N 2.79Å; I507-G509 VanDerWaalsContact C-N 3.26Å; I507-G509 PolarHBondContact O-N 2.96Å; G509-K511 VanDerWaalsContact C-N 3.28Å; G509-K511 PolarHBondContact O-N 3.26Å; G509-F512 PolarHBondContact O-N 3.02Å; G509-L513 WeakPolarHBondContact O-CB 3.37Å; G509-L513 VanDerWaalsContact O-CG 3.31Å; G509-L513 WeakPolarHBondContact O-CG 3.49Å; G509-L513 PolarHBondContact O-N 2.95Å |
| 510 | C | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.4 | -42.8 | 172.7 | -72.8 | 0 | 0 | 0 | 0 | 111.4 | F506 I507 G514 F515 Q520 | F506-C510 PolarHBondContact O-N 3.48Å; F506-C510 PolarHBondContact O-SG 3.3Å; I507-C510 WeakPolarHBondContact O-CB 3.22Å; I507-C510 PolarHBondContact O-N 3.4Å; C510-G514 PolarHBondContact O-N 2.98Å; C510-G514 VanDerWaalsContact O-N 3.14Å; C510-F515 HydrophobicContact CB-CB 4Å; C510-F515 HydrophobicContact CB-CD2 4.1Å; C510-F515 HydrophobicContact CB-CG 4.42Å; C510-F515 WeakPolarHBondContact O-CB 3.45Å; C510-F515 PolarHBondContact O-N 2.95Å; C510-Q520 HydrophobicContact CB-CG 3.67Å |
| 511 | K | 92.1 | Very high | 91.8 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.6 | -66.4 | 172.1 | -165.4 | 170.1 | 0 | 111.8 | I507 E508 G509 L513 G514 Q520 | I507-K511 WeakPolarHBondContact O-CG 3.48Å; I507-K511 PolarHBondContact O-N 3.28Å; I507-K511 VanDerWaalsContact O-N 3.08Å; E508-K511 PolarHBondContact O-N 2.94Å; E508-K511 IonicContact OE1-NZ 3.69Å; E508-K511 PolarHBondContact OE1-NZ 3.15Å; G509-K511 VanDerWaalsContact C-N 3.28Å; G509-K511 PolarHBondContact O-N 3.26Å; K511-L513 PolarHBondContact O-N 3.29Å; K511-G514 PolarHBondContact O-N 2.92Å; K511-Q520 VanDerWaalsContact CE-OE1 3.23Å |
| 512 | F | 94.2 | Very high | 91.5 | Very high | 66 Ų | 66 | 37 Ų | 37 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 180 | 179.5 | -103.3 | 0 | 0 | 0 | 112.4 | E508 G509 G514 R548 D551 W552 V556 | E508-F512 WeakPolarHBondContact O-CB 3.39Å; E508-F512 PolarHBondContact O-N 3.06Å; G509-F512 PolarHBondContact O-N 3.02Å; F512-G514 VanDerWaalsContact C-N 3.26Å; F512-G514 PolarHBondContact O-N 3.47Å; F512-R548 HydrophobicContact CE1-CB 4.26Å; F512-R548 WeakPolarHBondContact CE1-O 3.31Å; F512-R548 PolarHBondContact O-NH1 3.27Å; F512-R548 VanDerWaalsContact O-NH1 3.08Å; F512-D551 HydrophobicContact CE1-CB 4.46Å; F512-D551 HydrophobicContact CZ-CB 4.14Å; F512-W552 HydrophobicContact CD1-CB 4.14Å; F512-W552 HydrophobicContact CD1-CE3 4.03Å; F512-W552 HydrophobicContact CE1-CB 3.97Å; F512-V556 HydrophobicContact CD1-CG1 4.43Å; F512-V556 HydrophobicContact CD2-CG1 4.23Å; F512-V556 HydrophobicContact CE1-CB 4.45Å; F512-V556 HydrophobicContact CE1-CG2 4.13Å; F512-V556 HydrophobicContact CE2-CG1 4.45Å; F512-V556 HydrophobicContact CE2-CG2 3.94Å; F512-V556 HydrophobicContact CG-CG1 4.23Å; F512-V556 HydrophobicContact CZ-CB 4.48Å; F512-V556 HydrophobicContact CZ-CG2 3.73Å |
| 513 | L | 92 | Very high | 91.3 | Very high | 11 Ų | 11 | 37 Ų | 37 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.5 | 180 | -62.4 | 175.8 | 0 | 0 | 0 | 113.7 | G509 K511 F515 F535 L539 P544 R548 W552 | G509-L513 WeakPolarHBondContact O-CB 3.37Å; G509-L513 VanDerWaalsContact O-CG 3.31Å; G509-L513 WeakPolarHBondContact O-CG 3.49Å; G509-L513 PolarHBondContact O-N 2.95Å; K511-L513 PolarHBondContact O-N 3.29Å; L513-F515 HydrophobicContact CB-CD1 4.1Å; L513-F515 HydrophobicContact CB-CE1 3.85Å; L513-F515 HydrophobicContact CB-CZ 4.19Å; L513-F515 HydrophobicContact CD1-CZ 4.14Å; L513-F535 HydrophobicContact CD1-CE2 4.41Å; L513-F535 HydrophobicContact CD1-CZ 3.76Å; L513-L539 HydrophobicContact CD1-CD2 3.26Å; L513-P544 HydrophobicContact CB-CB 4.24Å; L513-P544 HydrophobicContact CD2-CB 4.02Å; L513-R548 HydrophobicContact CD2-CB 4.09Å; L513-W552 HydrophobicContact CD1-CG 4.48Å; L513-W552 HydrophobicContact CD2-CB 4.12Å |
| 514 | G | 89.1 | Confident | 91 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 52% | 0.515 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 28.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | C510 K511 F512 | C510-G514 PolarHBondContact O-N 2.98Å; C510-G514 VanDerWaalsContact O-N 3.14Å; K511-G514 PolarHBondContact O-N 2.92Å; F512-G514 VanDerWaalsContact C-N 3.26Å; F512-G514 PolarHBondContact O-N 3.47Å |
| 515 | F | 88.6 | Confident | 90.7 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | trans | -74.9 | 142.2 | 178.9 | -66.7 | -3 | 0 | 0 | 0 | 111.6 | C510 L513 T519 Q520 F535 L538 L539 P544 | C510-F515 HydrophobicContact CB-CB 4Å; C510-F515 HydrophobicContact CB-CD2 4.1Å; C510-F515 HydrophobicContact CB-CG 4.42Å; C510-F515 WeakPolarHBondContact O-CB 3.45Å; C510-F515 PolarHBondContact O-N 2.95Å; L513-F515 HydrophobicContact CB-CD1 4.1Å; L513-F515 HydrophobicContact CB-CE1 3.85Å; L513-F515 HydrophobicContact CB-CZ 4.19Å; L513-F515 HydrophobicContact CD1-CZ 4.14Å; F515-T519 HydrophobicContact CB-CG2 4.33Å; F515-T519 HydrophobicContact CD2-CG2 4.29Å; F515-Q520 PolarHBondContact O-NE2 3.38Å; F515-F535 HydrophobicContact CE2-CE2 4.28Å; F515-L538 HydrophobicContact CD2-CB 4.19Å; F515-L538 HydrophobicContact CE2-CB 3.76Å; F515-L539 HydrophobicContact CE2-CD2 4.14Å; F515-L539 HydrophobicContact CZ-CD2 3.68Å; F515-L539 HydrophobicContact CZ-CG 4.48Å; F515-P544 HydrophobicContact CE1-CB 4.35Å | ||
| 516 | P | 86.8 | Confident | 90.4 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 42% | 0.422 | 26% | 0.261 | S | S | . | . | trans | -52.5 | 146.7 | 179.5 | -28.2 | 35.1 | 0 | 0 | 0 | 113.1 | K518 T519 Q520 | P516-K518 HydrophobicContact CB-CG 3.85Å; P516-K518 PolarHBondContact O-N 2.83Å; P516-T519 WeakPolarHBondContact O-CA 3.44Å; P516-T519 WeakPolarHBondContact O-CB 3.09Å; P516-T519 PolarHBondContact O-N 3.48Å; P516-Q520 PolarHBondContact O-N 3.04Å | ||
| 517 | Y | 86 | Confident | 89.9 | Confident | 163 Ų | 163 | 54.5 Ų | 54.5 | 64% | 0.639 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.8 | -36.1 | -179.9 | -177.2 | -116.4 | 0 | 0 | 0 | 113.2 | T519 Q520 I521 | Y517-T519 PolarHBondContact O-N 3.29Å; Y517-Q520 WeakPolarHBondContact O-CB 3.41Å; Y517-Q520 PolarHBondContact O-N 3.04Å; Y517-I521 HydrophobicContact CD1-CD1 3.88Å; Y517-I521 HydrophobicContact CD1-CG1 4.35Å; Y517-I521 HydrophobicContact CE1-CD1 3.52Å; Y517-I521 HydrophobicContact CE1-CG1 4Å; Y517-I521 PolarHBondContact O-N 3Å; Y517-I521 VanDerWaalsContact O-N 3.08Å |
| 518 | K | 88.6 | Confident | 89.5 | Confident | 149 Ų | 149 | 55.3 Ų | 55.3 | 65% | 0.648 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.3 | -35 | 173.7 | 61.7 | -179.2 | 178.6 | -174.2 | 0 | 113.4 | P516 I521 A522 | P516-K518 HydrophobicContact CB-CG 3.85Å; P516-K518 PolarHBondContact O-N 2.83Å; K518-I521 PolarHBondContact O-N 3.01Å; K518-A522 PolarHBondContact O-N 3.23Å |
| 519 | T | 87.8 | Confident | 88.8 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 177.5 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | F515 P516 Y517 A522 L523 L538 | F515-T519 HydrophobicContact CB-CG2 4.33Å; F515-T519 HydrophobicContact CD2-CG2 4.29Å; P516-T519 WeakPolarHBondContact O-CA 3.44Å; P516-T519 WeakPolarHBondContact O-CB 3.09Å; P516-T519 PolarHBondContact O-N 3.48Å; Y517-T519 PolarHBondContact O-N 3.29Å; T519-A522 PolarHBondContact O-N 3.24Å; T519-L523 WeakPolarHBondContact O-CB 3.12Å; T519-L523 PolarHBondContact O-N 3.04Å; T519-L538 HydrophobicContact CG2-CB 4.45Å; T519-L538 HydrophobicContact CG2-CD1 3.2Å; T519-L538 HydrophobicContact CG2-CD2 3.38Å; T519-L538 HydrophobicContact CG2-CG 3.8Å |
| 520 | Q | 88.6 | Confident | 88.4 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 176.2 | -57.9 | 171.7 | 37.2 | 0 | 0 | 111.1 | I507 C510 K511 F515 P516 Y517 L523 A524 | I507-Q520 HydrophobicContact CG2-CB 4.33Å; C510-Q520 HydrophobicContact CB-CG 3.67Å; K511-Q520 VanDerWaalsContact CE-OE1 3.23Å; F515-Q520 PolarHBondContact O-NE2 3.38Å; P516-Q520 PolarHBondContact O-N 3.04Å; Y517-Q520 WeakPolarHBondContact O-CB 3.41Å; Y517-Q520 PolarHBondContact O-N 3.04Å; Q520-L523 PolarHBondContact O-N 3.06Å; Q520-A524 WeakPolarHBondContact O-CB 3.34Å; Q520-A524 PolarHBondContact O-N 3.11Å |
| 521 | I | 87.3 | Confident | 88.1 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 35% | 0.349 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 174.7 | -61.6 | 174.5 | 0 | 0 | 0 | 110.9 | Y517 K518 L523 A524 K525 | Y517-I521 HydrophobicContact CD1-CD1 3.88Å; Y517-I521 HydrophobicContact CD1-CG1 4.35Å; Y517-I521 HydrophobicContact CE1-CD1 3.52Å; Y517-I521 HydrophobicContact CE1-CG1 4Å; Y517-I521 PolarHBondContact O-N 3Å; Y517-I521 VanDerWaalsContact O-N 3.08Å; K518-I521 PolarHBondContact O-N 3.01Å; I521-L523 VanDerWaalsContact C-N 3.31Å; I521-L523 PolarHBondContact O-N 2.69Å; I521-A524 PolarHBondContact O-N 2.97Å; I521-K525 WeakPolarHBondContact O-CG 3.5Å; I521-K525 PolarHBondContact O-N 3.21Å |
| 522 | A | 88.9 | Confident | 87.8 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | K518 T519 A524 K525 E526 | K518-A522 PolarHBondContact O-N 3.23Å; T519-A522 PolarHBondContact O-N 3.24Å; A522-A524 VanDerWaalsContact C-N 3.32Å; A522-A524 PolarHBondContact O-N 3.46Å; A522-K525 PolarHBondContact O-N 3.41Å; A522-K525 VanDerWaalsContact O-N 3.16Å; A522-E526 PolarHBondContact O-N 3.4Å |
| 523 | L | 90.2 | Very high | 87.2 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -32.6 | 178.1 | -164 | 66.4 | 0 | 0 | 0 | 113.1 | H503 F506 I507 T519 Q520 I521 K525 E526 V531 F535 L538 | H503-L523 PolarHBondContact CD2-O 3.11Å; F506-L523 HydrophobicContact CB-CD2 3.68Å; I507-L523 HydrophobicContact CG1-CD2 4.24Å; T519-L523 WeakPolarHBondContact O-CB 3.12Å; T519-L523 PolarHBondContact O-N 3.04Å; Q520-L523 PolarHBondContact O-N 3.06Å; I521-L523 VanDerWaalsContact C-N 3.31Å; I521-L523 PolarHBondContact O-N 2.69Å; L523-K525 PolarHBondContact O-N 2.9Å; L523-E526 HydrophobicContact CD1-CG 4.43Å; L523-E526 WeakPolarHBondContact O-CB 3.4Å; L523-E526 PolarHBondContact O-N 3.22Å; L523-V531 HydrophobicContact CD1-CG2 3.71Å; L523-V531 WeakPolarHBondContact CD1-O 3.37Å; L523-V531 HydrophobicContact CD2-CG2 4.46Å; L523-V531 HydrophobicContact CG-CG2 3.8Å; L523-F535 HydrophobicContact CD1-CB 4.4Å; L523-F535 HydrophobicContact CD2-CB 4.42Å; L523-F535 HydrophobicContact CD2-CD2 4.12Å; L523-L538 HydrophobicContact CD1-CD1 4.47Å |
| 524 | A | 88.7 | Confident | 86.9 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.8 | -21.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I507 Q520 I521 A522 | I507-A524 HydrophobicContact CD1-CB 3.72Å; Q520-A524 WeakPolarHBondContact O-CB 3.34Å; Q520-A524 PolarHBondContact O-N 3.11Å; I521-A524 PolarHBondContact O-N 2.97Å; A522-A524 VanDerWaalsContact C-N 3.32Å; A522-A524 PolarHBondContact O-N 3.46Å |
| 525 | K | 88.9 | Confident | 86.9 | Confident | 175 Ų | 175 | 54 Ų | 54 | 76% | 0.761 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -6.5 | 177.4 | -67.7 | 178.5 | 179.4 | -176.2 | 0 | 113.2 | I521 A522 L523 | I521-K525 WeakPolarHBondContact O-CG 3.5Å; I521-K525 PolarHBondContact O-N 3.21Å; A522-K525 PolarHBondContact O-N 3.41Å; A522-K525 VanDerWaalsContact O-N 3.16Å; L523-K525 PolarHBondContact O-N 2.9Å |
| 526 | E | 88.8 | Confident | 86.7 | Confident | 70 Ų | 70 | 54.6 Ų | 54.6 | 33% | 0.327 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -70 | 157 | -179.5 | -74.8 | -70.7 | -171.5 | 0 | 0 | 112.1 | H503 A522 L523 V531 S534 | H503-E526 PolarHBondContact NE2-O 3.4Å; A522-E526 PolarHBondContact O-N 3.4Å; L523-E526 HydrophobicContact CD1-CG 4.43Å; L523-E526 WeakPolarHBondContact O-CB 3.4Å; L523-E526 PolarHBondContact O-N 3.22Å; E526-V531 HydrophobicContact CB-CB 4.49Å; E526-S534 VanDerWaalsContact CD-OG 3.31Å; E526-S534 PolarHBondContact OE1-OG 3.02Å |
| 527 | N | 86.6 | Confident | 86.4 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | trans | -67.8 | 139.7 | 169.9 | -171.8 | -48.9 | 0 | 0 | 0 | 109.2 | V529 N530 V531 | N527-V529 PolarHBondContact O-N 3.36Å; N527-V529 WeakPolarHBondContact OD1-CB 3.35Å; N527-V529 WeakPolarHBondContact OD1-CG2 3.42Å; N527-V529 PolarHBondContact OD1-N 3.3Å; N527-N530 PolarHBondContact O-N 3.02Å; N527-V531 PolarHBondContact O-N 3.3Å | ||
| 528 | P | 83.7 | Confident | 86.4 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -27.3 | 172.7 | -24.8 | 28 | 0 | 0 | 0 | 115.2 | R484 H503 V531 | R484-P528 VanDerWaalsContact O-CB 3.25Å; R484-P528 WeakPolarHBondContact O-CB 3.3Å; H503-P528 VanDerWaalsContact CE1-CA 3.49Å; H503-P528 WeakPolarHBondContact CE1-CA 3.4Å; P528-V531 WeakPolarHBondContact O-CG1 3.11Å |
| 529 | V | 80.5 | Confident | 86.2 | Confident | 61 Ų | 61 | 39.4 Ų | 39.4 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -33.7 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | N527 | N527-V529 PolarHBondContact O-N 3.36Å; N527-V529 WeakPolarHBondContact OD1-CB 3.35Å; N527-V529 WeakPolarHBondContact OD1-CG2 3.42Å; N527-V529 PolarHBondContact OD1-N 3.3Å |
| 530 | N | 84.4 | Confident | 85.7 | Confident | 80 Ų | 80 | 41.6 Ų | 41.6 | 43% | 0.428 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -12.3 | -172 | -63.7 | -15.3 | 0 | 0 | 0 | 113.6 | N527 C532 A533 S534 | N527-N530 PolarHBondContact O-N 3.02Å; N530-C532 VanDerWaalsContact C-N 3.27Å; N530-C532 PolarHBondContact O-N 3.06Å; N530-A533 PolarHBondContact O-N 2.82Å; N530-A533 VanDerWaalsContact O-N 3.11Å; N530-S534 PolarHBondContact O-N 2.95Å; N530-S534 PolarHBondContact O-OG 3.35Å |
| 531 | V | 88 | Confident | 85.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.4 | -37.4 | -172.8 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | Y502 F506 L523 E526 N527 P528 F535 | Y502-V531 HydrophobicContact CD2-CG1 4.24Å; F506-V531 HydrophobicContact CD2-CG1 3.98Å; F506-V531 HydrophobicContact CD2-CG2 4.08Å; F506-V531 HydrophobicContact CE2-CG1 4.17Å; L523-V531 HydrophobicContact CD1-CG2 3.71Å; L523-V531 WeakPolarHBondContact CD1-O 3.37Å; L523-V531 HydrophobicContact CD2-CG2 4.46Å; L523-V531 HydrophobicContact CG-CG2 3.8Å; E526-V531 HydrophobicContact CB-CB 4.49Å; N527-V531 PolarHBondContact O-N 3.3Å; P528-V531 WeakPolarHBondContact O-CG1 3.11Å; V531-F535 WeakPolarHBondContact O-CB 3.25Å; V531-F535 PolarHBondContact O-N 3.04Å |
| 532 | C | 86.6 | Confident | 84.7 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.3 | -50.3 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | F506 N530 S534 F535 Q536 W596 E684 | F506-C532 HydrophobicContact CE2-CB 3.76Å; F506-C532 HydrophobicContact CZ-CB 3.79Å; F506-C532 VanDerWaalsContact CZ-SG 3.59Å; N530-C532 VanDerWaalsContact C-N 3.27Å; N530-C532 PolarHBondContact O-N 3.06Å; C532-S534 VanDerWaalsContact C-N 3.34Å; C532-S534 PolarHBondContact O-N 3.29Å; C532-F535 WeakPolarHBondContact O-CB 3.33Å; C532-F535 PolarHBondContact O-N 2.93Å; C532-F535 VanDerWaalsContact O-N 3.11Å; C532-Q536 WeakPolarHBondContact O-CG 3.28Å; C532-Q536 PolarHBondContact O-N 2.95Å; C532-W596 VanDerWaalsContact SG-CZ2 3.51Å; C532-E684 HydrophobicContact CB-CB 4.3Å |
| 533 | A | 80.8 | Confident | 84.1 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N530 F535 Q536 S537 E684 Y687 | N530-A533 PolarHBondContact O-N 2.82Å; N530-A533 VanDerWaalsContact O-N 3.11Å; A533-F535 PolarHBondContact O-N 3.31Å; A533-Q536 PolarHBondContact O-N 3.11Å; A533-S537 PolarHBondContact O-N 3.15Å; A533-E684 PolarHBondContact N-O 3.25Å; A533-Y687 PolarHBondContact O-OH 2.98Å |
| 534 | S | 86.2 | Confident | 83.7 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 174.8 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | E526 N530 C532 S537 L538 | E526-S534 VanDerWaalsContact CD-OG 3.31Å; E526-S534 PolarHBondContact OE1-OG 3.02Å; N530-S534 PolarHBondContact O-N 2.95Å; N530-S534 PolarHBondContact O-OG 3.35Å; C532-S534 VanDerWaalsContact C-N 3.34Å; C532-S534 PolarHBondContact O-N 3.29Å; S534-S537 WeakPolarHBondContact O-CB 3.41Å; S534-S537 PolarHBondContact O-N 2.95Å; S534-L538 VanDerWaalsContact O-CG 3.28Å; S534-L538 WeakPolarHBondContact O-CG 3.5Å; S534-L538 PolarHBondContact O-N 3.48Å; S534-L538 VanDerWaalsContact O-N 3.11Å |
| 535 | F | 89.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 174 | -177.6 | -102.2 | 0 | 0 | 0 | 112.6 | F506 L513 F515 L523 V531 C532 A533 S537 L538 L539 W552 | F506-F535 HydrophobicContact CB-CB 4.12Å; F506-F535 HydrophobicContact CB-CD2 3.89Å; F506-F535 HydrophobicContact CB-CE2 4.5Å; F506-F535 HydrophobicContact CB-CG 4Å; F506-F535 HydrophobicContact CD1-CB 3.87Å; F506-F535 AromaticContact CD1-CD1 3.39Å; F506-F535 HydrophobicContact CD1-CD1 3.39Å; F506-F535 HydrophobicContact CD1-CD2 4.06Å; F506-F535 AromaticContact CD1-CE1 3.87Å; F506-F535 HydrophobicContact CD1-CE1 3.87Å; F506-F535 HydrophobicContact CD1-CE2 4.47Å; F506-F535 AromaticContact CD1-CG 3.5Å; F506-F535 HydrophobicContact CD1-CG 3.5Å; F506-F535 VanDerWaalsContact CD1-CG 3.5Å; F506-F535 HydrophobicContact CD1-CZ 4.38Å; F506-F535 HydrophobicContact CE1-CB 4.47Å; F506-F535 AromaticContact CE1-CD1 3.78Å; F506-F535 HydrophobicContact CE1-CD1 3.78Å; F506-F535 HydrophobicContact CE1-CE1 4.3Å; F506-F535 HydrophobicContact CE1-CG 4.24Å; F506-F535 HydrophobicContact CG-CB 4.01Å; F506-F535 HydrophobicContact CG-CD1 4.33Å; F506-F535 HydrophobicContact CG-CD2 4.37Å; F506-F535 AromaticContact CG-CG 3.99Å; F506-F535 HydrophobicContact CG-CG 3.99Å; L513-F535 HydrophobicContact CD1-CE2 4.41Å; L513-F535 HydrophobicContact CD1-CZ 3.76Å; F515-F535 HydrophobicContact CE2-CE2 4.28Å; L523-F535 HydrophobicContact CD1-CB 4.4Å; L523-F535 HydrophobicContact CD2-CB 4.42Å; L523-F535 HydrophobicContact CD2-CD2 4.12Å; V531-F535 WeakPolarHBondContact O-CB 3.25Å; V531-F535 PolarHBondContact O-N 3.04Å; C532-F535 WeakPolarHBondContact O-CB 3.33Å; C532-F535 PolarHBondContact O-N 2.93Å; C532-F535 VanDerWaalsContact O-N 3.11Å; A533-F535 PolarHBondContact O-N 3.31Å; F535-S537 VanDerWaalsContact C-N 3.32Å; F535-S537 PolarHBondContact O-N 2.88Å; F535-L538 WeakPolarHBondContact O-CB 3.37Å; F535-L538 PolarHBondContact O-N 3.17Å; F535-L539 HydrophobicContact CD1-CD1 4.08Å; F535-L539 HydrophobicContact CD1-CG 4.31Å; F535-L539 HydrophobicContact CE1-CD1 3.71Å; F535-L539 HydrophobicContact CE1-CD2 4.1Å; F535-L539 HydrophobicContact CE1-CG 3.99Å; F535-L539 HydrophobicContact CZ-CD1 4.46Å; F535-L539 HydrophobicContact CZ-CD2 4.03Å; F535-L539 HydrophobicContact CZ-CG 4.33Å; F535-L539 PolarHBondContact O-N 3.38Å; F535-W552 HydrophobicContact CE1-CZ2 4.12Å; F535-W552 AromaticContact CE1-NE1 3.73Å; F535-W552 AromaticContact CZ-CE2 3.99Å; F535-W552 AromaticContact CZ-CZ2 3.98Å; F535-W552 HydrophobicContact CZ-CZ2 3.98Å; F535-W552 AromaticContact CZ-NE1 3.99Å |
| 536 | Q | 83.3 | Confident | 83.4 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -39.6 | 174.7 | -69.2 | -49.1 | -62.8 | 0 | 0 | 112.5 | C532 A533 L538 L539 R540 W596 | C532-Q536 WeakPolarHBondContact O-CG 3.28Å; C532-Q536 PolarHBondContact O-N 2.95Å; A533-Q536 PolarHBondContact O-N 3.11Å; Q536-L538 PolarHBondContact O-N 3.43Å; Q536-L539 VanDerWaalsContact NE2-CD1 3.33Å; Q536-L539 PolarHBondContact O-N 3.37Å; Q536-R540 PolarHBondContact O-N 3.02Å; Q536-W596 VanDerWaalsContact OE1-CD1 3.29Å |
| 537 | S | 80.9 | Confident | 83.3 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 12% | 0.119 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 176.3 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | A533 S534 F535 R540 R541 Y687 | A533-S537 PolarHBondContact O-N 3.15Å; S534-S537 WeakPolarHBondContact O-CB 3.41Å; S534-S537 PolarHBondContact O-N 2.95Å; F535-S537 VanDerWaalsContact C-N 3.32Å; F535-S537 PolarHBondContact O-N 2.88Å; S537-R540 PolarHBondContact O-N 3.29Å; S537-R541 WeakPolarHBondContact O-CG 3.38Å; S537-R541 PolarHBondContact O-N 3.32Å; S537-Y687 WeakPolarHBondContact CA-OH 3.46Å; S537-Y687 WeakPolarHBondContact CB-OH 3.24Å; S537-Y687 PolarHBondContact N-OH 3.32Å |
| 538 | L | 85.9 | Confident | 83.5 | Confident | 34 Ų | 34 | 38.7 Ų | 38.7 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 176.2 | -65.4 | 165.7 | 0 | 0 | 0 | 112 | F515 T519 L523 S534 F535 Q536 R540 R541 S542 | F515-L538 HydrophobicContact CD2-CB 4.19Å; F515-L538 HydrophobicContact CE2-CB 3.76Å; T519-L538 HydrophobicContact CG2-CB 4.45Å; T519-L538 HydrophobicContact CG2-CD1 3.2Å; T519-L538 HydrophobicContact CG2-CD2 3.38Å; T519-L538 HydrophobicContact CG2-CG 3.8Å; L523-L538 HydrophobicContact CD1-CD1 4.47Å; S534-L538 VanDerWaalsContact O-CG 3.28Å; S534-L538 WeakPolarHBondContact O-CG 3.5Å; S534-L538 PolarHBondContact O-N 3.48Å; S534-L538 VanDerWaalsContact O-N 3.11Å; F535-L538 WeakPolarHBondContact O-CB 3.37Å; F535-L538 PolarHBondContact O-N 3.17Å; Q536-L538 PolarHBondContact O-N 3.43Å; L538-R540 VanDerWaalsContact C-N 3.26Å; L538-R540 PolarHBondContact O-N 2.77Å; L538-R541 PolarHBondContact O-N 3.26Å; L538-S542 VanDerWaalsContact O-CB 3.29Å; L538-S542 WeakPolarHBondContact O-CB 3.41Å; L538-S542 PolarHBondContact O-N 2.82Å; L538-S542 PolarHBondContact O-OG 3.21Å |
| 539 | L | 84 | Confident | 83.8 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.3 | -41.5 | 175.6 | -67.4 | 175.4 | 0 | 0 | 0 | 112.4 | L513 F515 F535 Q536 R541 F543 P544 L549 | L513-L539 HydrophobicContact CD1-CD2 3.26Å; F515-L539 HydrophobicContact CE2-CD2 4.14Å; F515-L539 HydrophobicContact CZ-CD2 3.68Å; F515-L539 HydrophobicContact CZ-CG 4.48Å; F535-L539 HydrophobicContact CD1-CD1 4.08Å; F535-L539 HydrophobicContact CD1-CG 4.31Å; F535-L539 HydrophobicContact CE1-CD1 3.71Å; F535-L539 HydrophobicContact CE1-CD2 4.1Å; F535-L539 HydrophobicContact CE1-CG 3.99Å; F535-L539 HydrophobicContact CZ-CD1 4.46Å; F535-L539 HydrophobicContact CZ-CD2 4.03Å; F535-L539 HydrophobicContact CZ-CG 4.33Å; F535-L539 PolarHBondContact O-N 3.38Å; Q536-L539 VanDerWaalsContact NE2-CD1 3.33Å; Q536-L539 PolarHBondContact O-N 3.37Å; L539-R541 VanDerWaalsContact C-N 3.28Å; L539-R541 PolarHBondContact O-N 3.49Å; L539-F543 PolarHBondContact O-N 3.32Å; L539-P544 HydrophobicContact CD2-CG 4.08Å; L539-L549 HydrophobicContact CD1-CD1 4.35Å; L539-L549 HydrophobicContact CD2-CD1 4.09Å |
| 540 | R | 77.6 | Confident | 84.1 | Confident | 65 Ų | 65 | 36.7 Ų | 36.7 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.6 | -26 | 178 | -65.5 | -167.4 | -57.6 | -158.2 | 7.8 | 113.7 | F242 Q536 S537 L538 F543 Y687 | F242-R540 HydrophobicContact CD1-CG 4.46Å; F242-R540 HydrophobicContact CE1-CB 4.32Å; F242-R540 HydrophobicContact CE1-CG 3.77Å; F242-R540 HydrophobicContact CZ-CB 4.45Å; F242-R540 HydrophobicContact CZ-CG 4.01Å; Q536-R540 PolarHBondContact O-N 3.02Å; S537-R540 PolarHBondContact O-N 3.29Å; L538-R540 VanDerWaalsContact C-N 3.26Å; L538-R540 PolarHBondContact O-N 2.77Å; R540-F543 WeakPolarHBondContact O-CD1 3.15Å; R540-F543 WeakPolarHBondContact O-CE1 3.29Å; R540-F543 WeakPolarHBondContact O-CZ 3.35Å; R540-Y687 VanDerWaalsContact NH2-CE2 3.33Å; R540-Y687 PolarHBondContact NH2-OH 2.9Å |
| 541 | R | 78.9 | Confident | 84.4 | Confident | 160 Ų | 160 | 36.1 Ų | 36.1 | 60% | 0.604 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -98.8 | -26.5 | -176.4 | -68.1 | 173.2 | 178.3 | 176.1 | 1.5 | 114 | S537 L538 L539 F543 | S537-R541 WeakPolarHBondContact O-CG 3.38Å; S537-R541 PolarHBondContact O-N 3.32Å; L538-R541 PolarHBondContact O-N 3.26Å; L539-R541 VanDerWaalsContact C-N 3.28Å; L539-R541 PolarHBondContact O-N 3.49Å; R541-F543 WeakPolarHBondContact O-CD2 3.21Å; R541-F543 VanDerWaalsContact O-CE2 3.24Å; R541-F543 WeakPolarHBondContact O-CE2 3.47Å |
| 542 | S | 76.8 | Confident | 84.6 | Confident | 47 Ų | 47 | 36.2 Ų | 36.2 | 33% | 0.329 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -99.8 | -11.1 | -172.7 | -62.4 | 0 | 0 | 0 | 0 | 113.9 | L538 | L538-S542 VanDerWaalsContact O-CB 3.29Å; L538-S542 WeakPolarHBondContact O-CB 3.41Å; L538-S542 PolarHBondContact O-N 2.82Å; L538-S542 PolarHBondContact O-OG 3.21Å |
| 543 | F | 75.4 | Confident | 84.8 | Confident | 55 Ų | 55 | 37 Ų | 37 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | trans | 48.3 | 57.6 | 170.8 | -44.2 | -62.9 | 0 | 0 | 0 | 113.9 | A249 L539 R540 R541 | A249-F543 HydrophobicContact CB-CB 4.27Å; A249-F543 HydrophobicContact CB-CD1 3.18Å; A249-F543 HydrophobicContact CB-CD2 4.21Å; A249-F543 HydrophobicContact CB-CE1 3.32Å; A249-F543 HydrophobicContact CB-CE2 4.35Å; A249-F543 HydrophobicContact CB-CG 3.63Å; A249-F543 HydrophobicContact CB-CZ 3.94Å; L539-F543 PolarHBondContact O-N 3.32Å; R540-F543 WeakPolarHBondContact O-CD1 3.15Å; R540-F543 WeakPolarHBondContact O-CE1 3.29Å; R540-F543 WeakPolarHBondContact O-CZ 3.35Å; R541-F543 WeakPolarHBondContact O-CD2 3.21Å; R541-F543 VanDerWaalsContact O-CE2 3.24Å; R541-F543 WeakPolarHBondContact O-CE2 3.47Å | ||
| 544 | P | 83.2 | Confident | 85.1 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 7% | 0.065 | 21% | 0.206 | C | C | . | . | trans | -59.3 | 155.2 | 178.8 | 28.8 | -36.7 | 0 | 0 | 0 | 110.8 | Y248 L513 F515 L539 V546 L549 | Y248-P544 PolarHBondContact OH-O 2.95Å; L513-P544 HydrophobicContact CB-CB 4.24Å; L513-P544 HydrophobicContact CD2-CB 4.02Å; F515-P544 HydrophobicContact CE1-CB 4.35Å; L539-P544 HydrophobicContact CD2-CG 4.08Å; P544-V546 PolarHBondContact O-N 3.15Å; P544-L549 HydrophobicContact CG-CB 4.22Å; P544-L549 HydrophobicContact CG-CD1 4.4Å; P544-L549 HydrophobicContact CG-CD2 4.17Å | ||
| 545 | S | 84.7 | Confident | 85.4 | Confident | 64 Ų | 64 | 44.5 Ų | 44.5 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | trans | -58.2 | 141.4 | 177.6 | 72.5 | 0 | 0 | 0 | 0 | 111.4 | S547 R548 L549 | S545-S547 PolarHBondContact O-N 2.87Å; S545-R548 PolarHBondContact O-N 3.08Å; S545-R548 VanDerWaalsContact O-N 3.12Å; S545-R548 WeakPolarHBondContact OG-CB 3.1Å; S545-R548 WeakPolarHBondContact OG-CG 3.47Å; S545-R548 PolarHBondContact OG-N 3.21Å; S545-L549 PolarHBondContact O-N 3.27Å | ||
| 546 | V | 86.5 | Confident | 85.7 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.2 | -42.6 | -179.5 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | Y248 H336 L339 P544 L549 N550 | Y248-V546 HydrophobicContact CE1-CG2 3.63Å; H336-V546 HydrophobicContact CB-CG1 4.3Å; L339-V546 HydrophobicContact CD2-CG1 3.61Å; L339-V546 HydrophobicContact CG-CG1 3.99Å; P544-V546 PolarHBondContact O-N 3.15Å; V546-L549 PolarHBondContact O-N 3.34Å; V546-N550 VanDerWaalsContact O-CB 3.24Å; V546-N550 WeakPolarHBondContact O-CB 3.23Å; V546-N550 PolarHBondContact O-N 3.48Å |
| 547 | S | 86.5 | Confident | 86.2 | Confident | 71 Ų | 71 | 44.3 Ų | 44.3 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61 | -49.2 | 179.4 | -166.6 | 0 | 0 | 0 | 0 | 111.8 | S545 N550 D551 | S545-S547 PolarHBondContact O-N 2.87Å; S547-N550 WeakPolarHBondContact O-CB 3.4Å; S547-N550 PolarHBondContact O-N 3.19Å; S547-D551 PolarHBondContact O-N 3.02Å |
| 548 | R | 89.6 | Confident | 86.9 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.3 | -39.5 | -179.8 | -72.2 | -160.6 | -161.9 | 158.5 | 25.7 | 112.2 | T165 F512 L513 S545 N550 D551 W552 | T165-R548 PolarHBondContact O-NH2 2.91Å; F512-R548 HydrophobicContact CE1-CB 4.26Å; F512-R548 WeakPolarHBondContact CE1-O 3.31Å; F512-R548 PolarHBondContact O-NH1 3.27Å; F512-R548 VanDerWaalsContact O-NH1 3.08Å; L513-R548 HydrophobicContact CD2-CB 4.09Å; S545-R548 PolarHBondContact O-N 3.08Å; S545-R548 VanDerWaalsContact O-N 3.12Å; S545-R548 WeakPolarHBondContact OG-CB 3.1Å; S545-R548 WeakPolarHBondContact OG-CG 3.47Å; S545-R548 PolarHBondContact OG-N 3.21Å; R548-N550 VanDerWaalsContact C-N 3.28Å; R548-N550 PolarHBondContact O-N 3.27Å; R548-D551 PolarHBondContact O-N 2.75Å; R548-W552 VanDerWaalsContact O-CB 3.31Å; R548-W552 WeakPolarHBondContact O-CB 3.25Å; R548-W552 PolarHBondContact O-N 2.89Å |
| 549 | L | 89.5 | Confident | 87.3 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 176.8 | -176.4 | 55.5 | 0 | 0 | 0 | 111.2 | P243 Y248 L539 P544 S545 V546 W552 N553 | P243-L549 HydrophobicContact CG-CD2 3.76Å; P243-L549 HydrophobicContact CG-CG 4.36Å; Y248-L549 HydrophobicContact CE2-CD2 4.1Å; L539-L549 HydrophobicContact CD1-CD1 4.35Å; L539-L549 HydrophobicContact CD2-CD1 4.09Å; P544-L549 HydrophobicContact CG-CB 4.22Å; P544-L549 HydrophobicContact CG-CD1 4.4Å; P544-L549 HydrophobicContact CG-CD2 4.17Å; S545-L549 PolarHBondContact O-N 3.27Å; V546-L549 PolarHBondContact O-N 3.34Å; L549-W552 WeakPolarHBondContact O-CB 3.08Å; L549-W552 PolarHBondContact O-N 3.02Å; L549-N553 PolarHBondContact O-N 3.41Å; L549-N553 PolarHBondContact O-ND2 3.2Å |
| 550 | N | 88.4 | Confident | 87.9 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 173.3 | -175.9 | 62 | 0 | 0 | 0 | 111.9 | V546 S547 R548 W552 N553 R554 | V546-N550 VanDerWaalsContact O-CB 3.24Å; V546-N550 WeakPolarHBondContact O-CB 3.23Å; V546-N550 PolarHBondContact O-N 3.48Å; S547-N550 WeakPolarHBondContact O-CB 3.4Å; S547-N550 PolarHBondContact O-N 3.19Å; R548-N550 VanDerWaalsContact C-N 3.28Å; R548-N550 PolarHBondContact O-N 3.27Å; N550-W552 VanDerWaalsContact C-N 3.29Å; N550-W552 PolarHBondContact O-N 3.23Å; N550-N553 PolarHBondContact O-N 3.12Å; N550-R554 WeakPolarHBondContact O-CB 3.4Å; N550-R554 PolarHBondContact O-N 3.33Å |
| 551 | D | 90.6 | Very high | 88.9 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 177.3 | -68.3 | -26.3 | 0 | 0 | 0 | 112.3 | F512 S547 R548 K555 V556 | F512-D551 HydrophobicContact CE1-CB 4.46Å; F512-D551 HydrophobicContact CZ-CB 4.14Å; S547-D551 PolarHBondContact O-N 3.02Å; R548-D551 PolarHBondContact O-N 2.75Å; D551-K555 PolarHBondContact O-N 3.38Å; D551-V556 PolarHBondContact O-N 2.98Å |
| 552 | W | 92.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -58.7 | -58.2 | 173.2 | 172.8 | -103.3 | 0 | 0 | 0 | 111.3 | V505 F506 F512 L513 F535 R548 L549 N550 R554 V556 F557 | V505-W552 HydrophobicContact CG1-CH2 3.94Å; V505-W552 HydrophobicContact CG1-CZ2 4.31Å; V505-W552 WeakPolarHBondContact O-CH2 3.42Å; F506-W552 HydrophobicContact CD1-CZ2 4.42Å; F512-W552 HydrophobicContact CD1-CB 4.14Å; F512-W552 HydrophobicContact CD1-CE3 4.03Å; F512-W552 HydrophobicContact CE1-CB 3.97Å; L513-W552 HydrophobicContact CD1-CG 4.48Å; L513-W552 HydrophobicContact CD2-CB 4.12Å; F535-W552 HydrophobicContact CE1-CZ2 4.12Å; F535-W552 AromaticContact CE1-NE1 3.73Å; F535-W552 AromaticContact CZ-CE2 3.99Å; F535-W552 AromaticContact CZ-CZ2 3.98Å; F535-W552 HydrophobicContact CZ-CZ2 3.98Å; F535-W552 AromaticContact CZ-NE1 3.99Å; R548-W552 VanDerWaalsContact O-CB 3.31Å; R548-W552 WeakPolarHBondContact O-CB 3.25Å; R548-W552 PolarHBondContact O-N 2.89Å; L549-W552 WeakPolarHBondContact O-CB 3.08Å; L549-W552 PolarHBondContact O-N 3.02Å; N550-W552 VanDerWaalsContact C-N 3.29Å; N550-W552 PolarHBondContact O-N 3.23Å; W552-R554 PolarHBondContact O-N 3.41Å; W552-V556 HydrophobicContact CE3-CB 3.97Å; W552-V556 HydrophobicContact CE3-CG1 3.82Å; W552-V556 HydrophobicContact CZ3-CB 4.49Å; W552-V556 HydrophobicContact CZ3-CG1 3.96Å; W552-V556 PolarHBondContact O-N 3.14Å; W552-F557 HydrophobicContact CD2-CB 4.17Å; W552-F557 HydrophobicContact CE3-CB 4.49Å; W552-F557 HydrophobicContact CH2-CB 4.37Å; W552-F557 HydrophobicContact CH2-CD2 4.16Å; W552-F557 HydrophobicContact CZ2-CB 4.07Å; W552-F557 AromaticContact CZ2-CD2 3.62Å; W552-F557 HydrophobicContact CZ2-CD2 3.62Å; W552-F557 HydrophobicContact CZ2-CG 4.33Å; W552-F557 WeakPolarHBondContact O-CB 3.44Å; W552-F557 PolarHBondContact O-N 2.96Å |
| 553 | N | 89.6 | Confident | 90.6 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -64.5 | -39.9 | -177.5 | -67.2 | -24.1 | 0 | 0 | 0 | 112.1 | T240 L549 N550 F558 | T240-N553 HydrophobicContact CG2-CB 4.16Å; L549-N553 PolarHBondContact O-N 3.41Å; L549-N553 PolarHBondContact O-ND2 3.2Å; N550-N553 PolarHBondContact O-N 3.12Å; N553-F558 WeakPolarHBondContact O-CE2 3.44Å |
| 554 | R | 88.2 | Confident | 91.6 | Very high | 94 Ų | 94 | 39.7 Ų | 39.7 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -77.6 | -31.7 | -173.4 | -173.6 | 169.5 | -175.9 | -125.1 | -1.2 | 113.7 | L456 I457 V458 N550 W552 | L456-R554 WeakPolarHBondContact O-CG 3.42Å; I457-R554 WeakPolarHBondContact CA-O 3.4Å; V458-R554 HydrophobicContact CG2-CG 4.41Å; V458-R554 PolarHBondContact N-O 2.87Å; V458-R554 VanDerWaalsContact N-O 3.12Å; N550-R554 WeakPolarHBondContact O-CB 3.4Å; N550-R554 PolarHBondContact O-N 3.33Å; W552-R554 PolarHBondContact O-N 3.41Å |
| 555 | K | 92.2 | Very high | 92.3 | Very high | 104 Ų | 104 | 39.3 Ų | 39.3 | 45% | 0.452 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -142.4 | -61.6 | -167.1 | -176.4 | 178.3 | 173.1 | 179.3 | 0 | 113.5 | V458 D551 F557 F558 E559 | V458-K555 HydrophobicContact CG2-CB 3.91Å; V458-K555 HydrophobicContact CG2-CD 4.19Å; V458-K555 HydrophobicContact CG2-CG 4.03Å; D551-K555 PolarHBondContact O-N 3.38Å; K555-F557 VanDerWaalsContact C-N 3.31Å; K555-F557 PolarHBondContact O-N 3.16Å; K555-F558 PolarHBondContact O-N 3.39Å; K555-F558 VanDerWaalsContact O-N 3.11Å; K555-E559 WeakPolarHBondContact CE-OE1 3.47Å; K555-E559 HydrophobicContact CG-CG 4.28Å; K555-E559 IonicContact NZ-OE1 2.91Å; K555-E559 PolarHBondContact O-N 3.47Å; K555-E559 VanDerWaalsContact O-N 3.09Å |
| 556 | V | 94.6 | Very high | 92.9 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -64.5 | -36.8 | -165 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | F512 D551 W552 F558 E559 R560 | F512-V556 HydrophobicContact CD1-CG1 4.43Å; F512-V556 HydrophobicContact CD2-CG1 4.23Å; F512-V556 HydrophobicContact CE1-CB 4.45Å; F512-V556 HydrophobicContact CE1-CG2 4.13Å; F512-V556 HydrophobicContact CE2-CG1 4.45Å; F512-V556 HydrophobicContact CE2-CG2 3.94Å; F512-V556 HydrophobicContact CG-CG1 4.23Å; F512-V556 HydrophobicContact CZ-CB 4.48Å; F512-V556 HydrophobicContact CZ-CG2 3.73Å; D551-V556 PolarHBondContact O-N 2.98Å; W552-V556 HydrophobicContact CE3-CB 3.97Å; W552-V556 HydrophobicContact CE3-CG1 3.82Å; W552-V556 HydrophobicContact CZ3-CB 4.49Å; W552-V556 HydrophobicContact CZ3-CG1 3.96Å; W552-V556 PolarHBondContact O-N 3.14Å; V556-F558 PolarHBondContact O-N 3.48Å; V556-E559 PolarHBondContact O-N 3.39Å; V556-R560 HydrophobicContact CG1-CG 4.11Å; V556-R560 WeakPolarHBondContact O-CB 3.24Å; V556-R560 VanDerWaalsContact O-CG 3.27Å; V556-R560 WeakPolarHBondContact O-CG 3.24Å; V556-R560 PolarHBondContact O-N 3.21Å |
| 557 | F | 95.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.9 | -50.2 | 174.5 | 172 | -104.5 | 0 | 0 | 0 | 111.6 | V505 F506 W552 K555 R560 L561 W596 L600 | V505-F557 HydrophobicContact CG1-CD2 3.67Å; V505-F557 HydrophobicContact CG1-CE2 3.71Å; F506-F557 HydrophobicContact CE1-CE2 4.03Å; F506-F557 HydrophobicContact CZ-CE2 4.29Å; W552-F557 HydrophobicContact CD2-CB 4.17Å; W552-F557 HydrophobicContact CE3-CB 4.49Å; W552-F557 HydrophobicContact CH2-CB 4.37Å; W552-F557 HydrophobicContact CH2-CD2 4.16Å; W552-F557 HydrophobicContact CZ2-CB 4.07Å; W552-F557 AromaticContact CZ2-CD2 3.62Å; W552-F557 HydrophobicContact CZ2-CD2 3.62Å; W552-F557 HydrophobicContact CZ2-CG 4.33Å; W552-F557 WeakPolarHBondContact O-CB 3.44Å; W552-F557 PolarHBondContact O-N 2.96Å; K555-F557 VanDerWaalsContact C-N 3.31Å; K555-F557 PolarHBondContact O-N 3.16Å; F557-R560 PolarHBondContact O-N 3.47Å; F557-L561 HydrophobicContact CE1-CD2 4.05Å; F557-L561 HydrophobicContact CZ-CD2 4.17Å; F557-L561 VanDerWaalsContact O-CB 3.23Å; F557-L561 WeakPolarHBondContact O-CB 3.32Å; F557-L561 PolarHBondContact O-N 3.14Å; F557-W596 HydrophobicContact CE1-CH2 4.48Å; F557-W596 HydrophobicContact CE2-CH2 4.1Å; F557-W596 HydrophobicContact CE2-CZ2 4.06Å; F557-W596 AromaticContact CZ-CH2 3.66Å; F557-W596 HydrophobicContact CZ-CH2 3.66Å; F557-W596 HydrophobicContact CZ-CZ2 4.03Å; F557-L600 HydrophobicContact CE1-CD1 4.24Å |
| 558 | F | 94.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.057 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71 | -34.5 | -177.7 | -65.1 | -73.3 | 0 | 0 | 0 | 113.1 | I457 N553 K555 V556 L561 K562 C597 E599 L600 R642 L646 | I457-F558 HydrophobicContact CB-CE2 4.32Å; I457-F558 HydrophobicContact CG2-CD2 4.01Å; I457-F558 HydrophobicContact CG2-CE2 3.32Å; I457-F558 HydrophobicContact CG2-CZ 4.01Å; N553-F558 WeakPolarHBondContact O-CE2 3.44Å; K555-F558 PolarHBondContact O-N 3.39Å; K555-F558 VanDerWaalsContact O-N 3.11Å; V556-F558 PolarHBondContact O-N 3.48Å; F558-L561 HydrophobicContact CD1-CD2 4.46Å; F558-L561 PolarHBondContact O-N 2.92Å; F558-K562 WeakPolarHBondContact O-CB 3.38Å; F558-K562 PolarHBondContact O-N 2.87Å; F558-C597 VanDerWaalsContact CZ-SG 3.58Å; F558-E599 HydrophobicContact CZ-CB 4.02Å; F558-L600 HydrophobicContact CE1-CD1 4.22Å; F558-R642 HydrophobicContact CD1-CB 4.24Å; F558-R642 HydrophobicContact CD1-CG 3.46Å; F558-R642 VanDerWaalsContact CD1-CG 3.46Å; F558-R642 HydrophobicContact CE1-CB 3.79Å; F558-R642 HydrophobicContact CE1-CG 3.51Å; F558-R642 HydrophobicContact CG-CG 4.24Å; F558-R642 HydrophobicContact CZ-CG 4.34Å; F558-L646 HydrophobicContact CD1-CD1 4.19Å |
| 559 | E | 95.6 | Very high | 94 | Very high | 88 Ų | 88 | 34.6 Ų | 34.6 | 41% | 0.411 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 172.7 | -70.6 | -177.6 | 158.1 | 0 | 0 | 111.5 | K555 V556 L563 | K555-E559 WeakPolarHBondContact CE-OE1 3.47Å; K555-E559 HydrophobicContact CG-CG 4.28Å; K555-E559 IonicContact NZ-OE1 2.91Å; K555-E559 PolarHBondContact O-N 3.47Å; K555-E559 VanDerWaalsContact O-N 3.09Å; V556-E559 PolarHBondContact O-N 3.39Å; E559-L563 WeakPolarHBondContact O-CB 3.26Å; E559-L563 PolarHBondContact O-N 3.22Å; E559-L563 VanDerWaalsContact O-N 3.1Å |
| 560 | R | 96.3 | Very high | 94.2 | Very high | 81 Ų | 81 | 38 Ų | 38 | 31% | 0.306 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69.5 | -37 | 177.1 | -66.4 | -65.4 | 176.5 | -108.9 | -0.2 | 111.7 | V505 E508 V556 F557 L563 A564 | V505-R560 HydrophobicContact CG1-CB 4.41Å; V505-R560 HydrophobicContact CG2-CB 4.45Å; E508-R560 HydrophobicContact CB-CG 4.49Å; V556-R560 HydrophobicContact CG1-CG 4.11Å; V556-R560 WeakPolarHBondContact O-CB 3.24Å; V556-R560 VanDerWaalsContact O-CG 3.27Å; V556-R560 WeakPolarHBondContact O-CG 3.24Å; V556-R560 PolarHBondContact O-N 3.21Å; F557-R560 PolarHBondContact O-N 3.47Å; R560-L563 PolarHBondContact O-N 3.08Å; R560-A564 VanDerWaalsContact O-CB 3.29Å; R560-A564 WeakPolarHBondContact O-CB 3.36Å; R560-A564 PolarHBondContact O-N 2.84Å |
| 561 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | 175.6 | -178.8 | 60.8 | 0 | 0 | 0 | 111.4 | P483 Y502 V505 F557 F558 L563 A564 C565 L600 L643 L646 | P483-L561 HydrophobicContact CB-CD1 3.71Å; P483-L561 HydrophobicContact CG-CD1 3.84Å; Y502-L561 HydrophobicContact CD1-CD1 4.4Å; Y502-L561 HydrophobicContact CE1-CD1 4.18Å; V505-L561 HydrophobicContact CG2-CB 4.27Å; V505-L561 HydrophobicContact CG2-CD1 4.19Å; F557-L561 HydrophobicContact CE1-CD2 4.05Å; F557-L561 HydrophobicContact CZ-CD2 4.17Å; F557-L561 VanDerWaalsContact O-CB 3.23Å; F557-L561 WeakPolarHBondContact O-CB 3.32Å; F557-L561 PolarHBondContact O-N 3.14Å; F558-L561 HydrophobicContact CD1-CD2 4.46Å; F558-L561 PolarHBondContact O-N 2.92Å; L561-L563 VanDerWaalsContact C-N 3.33Å; L561-L563 PolarHBondContact O-N 3Å; L561-A564 PolarHBondContact O-N 2.8Å; L561-C565 WeakPolarHBondContact O-CB 3.01Å; L561-C565 PolarHBondContact O-N 3.35Å; L561-L600 HydrophobicContact CD2-CD1 3.68Å; L561-L643 HydrophobicContact CD2-CD1 4.38Å; L561-L646 HydrophobicContact CB-CD1 4.5Å; L561-L646 HydrophobicContact CD2-CD1 3.92Å; L561-L646 HydrophobicContact CG-CD1 4.18Å |
| 562 | K | 96.7 | Very high | 94.5 | Very high | 50 Ų | 50 | 38.6 Ų | 38.6 | 22% | 0.217 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.6 | -47.4 | 175.6 | -170.5 | 174.2 | 179.8 | 170.6 | 0 | 111.3 | F558 C565 R566 L646 E649 L650 E653 | F558-K562 WeakPolarHBondContact O-CB 3.38Å; F558-K562 PolarHBondContact O-N 2.87Å; K562-C565 PolarHBondContact O-N 3.21Å; K562-R566 WeakPolarHBondContact O-CB 3.38Å; K562-R566 PolarHBondContact O-N 2.67Å; K562-L646 HydrophobicContact CB-CD2 3.83Å; K562-L646 HydrophobicContact CD-CD2 3.83Å; K562-L646 HydrophobicContact CG-CD2 3.95Å; K562-E649 WeakPolarHBondContact CE-OE2 3.5Å; K562-E649 IonicContact NZ-OE2 3.86Å; K562-E649 PolarHBondContact NZ-OE2 2.92Å; K562-L650 HydrophobicContact CG-CD2 4.04Å; K562-L650 HydrophobicContact CG-CG 4.31Å; K562-E653 WeakPolarHBondContact CE-OE1 3.49Å; K562-E653 IonicContact NZ-OE1 3.07Å; K562-E653 PolarHBondContact NZ-OE1 2.84Å |
| 563 | L | 95.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 29% | 0.288 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 178.1 | -179.7 | 59.8 | 0 | 0 | 0 | 112.4 | F491 F504 E559 R560 L561 R566 L567 | F491-L563 HydrophobicContact CE2-CD1 4.4Å; F491-L563 HydrophobicContact CE2-CD2 3.92Å; F491-L563 HydrophobicContact CE2-CG 4.29Å; F504-L563 HydrophobicContact CE1-CD2 4.28Å; F504-L563 HydrophobicContact CE1-CG 4.45Å; F504-L563 HydrophobicContact CZ-CD2 4.19Å; E559-L563 WeakPolarHBondContact O-CB 3.26Å; E559-L563 PolarHBondContact O-N 3.22Å; E559-L563 VanDerWaalsContact O-N 3.1Å; R560-L563 PolarHBondContact O-N 3.08Å; L561-L563 VanDerWaalsContact C-N 3.33Å; L561-L563 PolarHBondContact O-N 3Å; L563-R566 PolarHBondContact O-N 2.8Å; L563-L567 WeakPolarHBondContact O-CG 3.07Å; L563-L567 PolarHBondContact O-N 2.89Å |
| 564 | A | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I489 A501 F504 V505 R560 L561 R566 L567 K568 | I489-A564 HydrophobicContact CD1-CB 4.17Å; A501-A564 HydrophobicContact CB-CB 3.8Å; F504-A564 HydrophobicContact CB-CB 4.42Å; F504-A564 HydrophobicContact CD1-CB 3.66Å; F504-A564 HydrophobicContact CE1-CB 4.35Å; F504-A564 HydrophobicContact CG-CB 4.34Å; V505-A564 HydrophobicContact CG2-CB 3.72Å; R560-A564 VanDerWaalsContact O-CB 3.29Å; R560-A564 WeakPolarHBondContact O-CB 3.36Å; R560-A564 PolarHBondContact O-N 2.84Å; L561-A564 PolarHBondContact O-N 2.8Å; A564-R566 VanDerWaalsContact C-N 3.35Å; A564-L567 PolarHBondContact O-N 2.84Å; A564-K568 WeakPolarHBondContact O-CB 3.46Å; A564-K568 PolarHBondContact O-N 3.42Å |
| 565 | C | 97.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 174.5 | -75.2 | 0 | 0 | 0 | 0 | 111.4 | L561 K562 L567 K568 F569 L650 | L561-C565 WeakPolarHBondContact O-CB 3.01Å; L561-C565 PolarHBondContact O-N 3.35Å; K562-C565 PolarHBondContact O-N 3.21Å; C565-L567 VanDerWaalsContact C-N 3.33Å; C565-L567 PolarHBondContact O-N 2.81Å; C565-K568 WeakPolarHBondContact O-CB 3.45Å; C565-K568 PolarHBondContact O-N 3.26Å; C565-K568 VanDerWaalsContact O-N 3.17Å; C565-F569 HydrophobicContact CB-CD2 4.43Å; C565-F569 HydrophobicContact CB-CE2 4.26Å; C565-F569 WeakPolarHBondContact O-CD2 3.29Å; C565-F569 PolarHBondContact O-N 2.8Å; C565-L650 HydrophobicContact CB-CD1 3.58Å |
| 566 | R | 96.7 | Very high | 94.6 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 27% | 0.268 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.1 | -47 | 175.2 | -172.5 | 173.1 | 170.9 | 99.4 | 10.7 | 111.7 | K562 L563 A564 K568 F569 T570 L650 E653 F654 E657 | K562-R566 WeakPolarHBondContact O-CB 3.38Å; K562-R566 PolarHBondContact O-N 2.67Å; L563-R566 PolarHBondContact O-N 2.8Å; A564-R566 VanDerWaalsContact C-N 3.35Å; R566-K568 VanDerWaalsContact C-N 3.35Å; R566-F569 PolarHBondContact O-N 3.29Å; R566-T570 WeakPolarHBondContact O-CB 3.48Å; R566-T570 PolarHBondContact O-N 2.9Å; R566-T570 PolarHBondContact O-OG1 3.32Å; R566-L650 HydrophobicContact CB-CD2 3.73Å; R566-L650 HydrophobicContact CG-CD2 4.07Å; R566-E653 IonicContact NH1-OE2 2.9Å; R566-E653 PolarHBondContact NH1-OE2 3.46Å; R566-F654 HydrophobicContact CG-CE1 4.18Å; R566-F654 HydrophobicContact CG-CZ 4.13Å; R566-E657 IonicContact CZ-OE1 3.68Å; R566-E657 IonicContact CZ-OE2 3.67Å; R566-E657 IonicContact NH1-OE1 2.85Å; R566-E657 PolarHBondContact NH1-OE1 2.85Å; R566-E657 IonicContact NH1-OE2 3.09Å; R566-E657 IonicContact NH2-OE1 3.9Å; R566-E657 PolarHBondContact NH2-OE1 2.94Å; R566-E657 IonicContact NH2-OE2 2.68Å; R566-E657 PolarHBondContact NH2-OE2 3.45Å |
| 567 | L | 95.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 176.2 | -70.6 | 169.1 | 0 | 0 | 0 | 111.8 | I489 F491 P492 L563 A564 C565 T570 Q571 | I489-L567 HydrophobicContact CB-CB 4.37Å; I489-L567 HydrophobicContact CD1-CB 4.38Å; I489-L567 HydrophobicContact CG2-CB 4.42Å; F491-L567 HydrophobicContact CD2-CD1 3.54Å; F491-L567 HydrophobicContact CE2-CD1 4.07Å; P492-L567 HydrophobicContact CG-CD2 4.43Å; L563-L567 WeakPolarHBondContact O-CG 3.07Å; L563-L567 PolarHBondContact O-N 2.89Å; A564-L567 PolarHBondContact O-N 2.84Å; C565-L567 VanDerWaalsContact C-N 3.33Å; C565-L567 PolarHBondContact O-N 2.81Å; L567-T570 PolarHBondContact O-N 2.89Å; L567-Q571 VanDerWaalsContact O-CB 3.3Å; L567-Q571 WeakPolarHBondContact O-CB 3.4Å; L567-Q571 VanDerWaalsContact O-CG 3.27Å; L567-Q571 WeakPolarHBondContact O-CG 3.34Å; L567-Q571 PolarHBondContact O-N 2.96Å |
| 568 | K | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.9 | -53.4 | 175.9 | 171.8 | -176.5 | 173.2 | -173.2 | 0 | 111.5 | A480 F481 H482 S487 I489 A501 A564 C565 R566 Q571 H572 L575 | A480-K568 VanDerWaalsContact O-CE 3.25Å; A480-K568 WeakPolarHBondContact O-CE 3.28Å; A480-K568 PolarHBondContact O-NZ 3.01Å; F481-K568 PolarHBondContact O-NZ 3.24Å; F481-K568 VanDerWaalsContact O-NZ 3.12Å; H482-K568 PolarHBondContact O-NZ 2.93Å; S487-K568 WeakPolarHBondContact OG-CD 3.37Å; S487-K568 VanDerWaalsContact OG-CE 3.31Å; S487-K568 WeakPolarHBondContact OG-CE 3.48Å; I489-K568 HydrophobicContact CG2-CB 3.88Å; A501-K568 HydrophobicContact CB-CD 4.36Å; A564-K568 WeakPolarHBondContact O-CB 3.46Å; A564-K568 PolarHBondContact O-N 3.42Å; C565-K568 WeakPolarHBondContact O-CB 3.45Å; C565-K568 PolarHBondContact O-N 3.26Å; C565-K568 VanDerWaalsContact O-N 3.17Å; R566-K568 VanDerWaalsContact C-N 3.35Å; K568-Q571 PolarHBondContact O-N 3.44Å; K568-H572 WeakPolarHBondContact O-CB 3.18Å; K568-H572 PolarHBondContact O-CD2 3.41Å; K568-H572 PolarHBondContact O-N 3.17Å; K568-L575 HydrophobicContact CG-CD1 4.19Å |
| 569 | F | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.7 | -37.6 | -179.1 | -68.9 | -68.9 | 0 | 0 | 0 | 112.3 | F481 C565 R566 Q571 H572 L575 M576 L579 L647 L650 F654 | F481-F569 HydrophobicContact CD1-CE1 4.15Å; F481-F569 HydrophobicContact CD1-CZ 4.24Å; C565-F569 HydrophobicContact CB-CD2 4.43Å; C565-F569 HydrophobicContact CB-CE2 4.26Å; C565-F569 WeakPolarHBondContact O-CD2 3.29Å; C565-F569 PolarHBondContact O-N 2.8Å; R566-F569 PolarHBondContact O-N 3.29Å; F569-Q571 PolarHBondContact O-N 2.59Å; F569-H572 CarbonylContact O-C 3.49Å; F569-H572 PolarHBondContact O-N 3.35Å; F569-L575 HydrophobicContact CD1-CB 3.81Å; F569-L575 WeakPolarHBondContact CD1-O 3.21Å; F569-L575 HydrophobicContact CE1-CB 3.97Å; F569-M576 HydrophobicContact CB-CB 4.12Å; F569-M576 HydrophobicContact CB-CG 4.5Å; F569-M576 WeakPolarHBondContact O-CB 3.32Å; F569-L579 HydrophobicContact CD1-CB 4.28Å; F569-L579 HydrophobicContact CD1-CD2 4.21Å; F569-L579 HydrophobicContact CD2-CD2 4.1Å; F569-L579 HydrophobicContact CE1-CB 3.97Å; F569-L579 HydrophobicContact CE1-CD2 4.1Å; F569-L579 HydrophobicContact CE2-CD2 4.04Å; F569-L579 HydrophobicContact CG-CD2 4.21Å; F569-L579 HydrophobicContact CZ-CD2 4.03Å; F569-L647 HydrophobicContact CE2-CD2 3.43Å; F569-L647 VanDerWaalsContact CE2-CD2 3.43Å; F569-L647 HydrophobicContact CZ-CD2 3.76Å; F569-L650 HydrophobicContact CD2-CD1 4.45Å; F569-F654 HydrophobicContact CB-CE2 3.61Å; F569-F654 HydrophobicContact CB-CZ 3.7Å; F569-F654 HydrophobicContact CD2-CE2 4.39Å; F569-F654 HydrophobicContact CG-CE2 4.21Å |
| 570 | T | 93.5 | Very high | 93.8 | Very high | 75 Ų | 75 | 31 Ų | 31 | 46% | 0.46 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 177.7 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | R566 L567 | R566-T570 WeakPolarHBondContact O-CB 3.48Å; R566-T570 PolarHBondContact O-N 2.9Å; R566-T570 PolarHBondContact O-OG1 3.32Å; L567-T570 PolarHBondContact O-N 2.89Å |
| 571 | Q | 93.4 | Very high | 93.5 | Very high | 69 Ų | 69 | 29.9 Ų | 29.9 | 32% | 0.322 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -86.1 | -16.2 | -177.3 | -67 | 173.6 | 38.8 | 0 | 0 | 113.4 | T490 L567 K568 F569 P573 | T490-Q571 PolarHBondContact O-NE2 3.29Å; L567-Q571 VanDerWaalsContact O-CB 3.3Å; L567-Q571 WeakPolarHBondContact O-CB 3.4Å; L567-Q571 VanDerWaalsContact O-CG 3.27Å; L567-Q571 WeakPolarHBondContact O-CG 3.34Å; L567-Q571 PolarHBondContact O-N 2.96Å; K568-Q571 PolarHBondContact O-N 3.44Å; F569-Q571 PolarHBondContact O-N 2.59Å; Q571-P573 WeakPolarHBondContact O-CD 3.49Å |
| 572 | H | 92.5 | Very high | 93.2 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 23% | 0.231 | 15% | 0.153 | C | C | . | . | trans | -122.7 | 81.1 | 178.2 | -61.9 | -82.2 | 0 | 0 | 0 | 110 | P488 K568 F569 T574 L575 M576 | P488-H572 PolarHBondContact O-NE2 3.22Å; K568-H572 WeakPolarHBondContact O-CB 3.18Å; K568-H572 PolarHBondContact O-CD2 3.41Å; K568-H572 PolarHBondContact O-N 3.17Å; F569-H572 CarbonylContact O-C 3.49Å; F569-H572 PolarHBondContact O-N 3.35Å; H572-T574 PolarHBondContact O-N 3.42Å; H572-T574 VanDerWaalsContact O-N 3.1Å; H572-L575 HydrophobicContact CB-CB 4.21Å; H572-L575 HydrophobicContact CB-CD1 3.78Å; H572-L575 HydrophobicContact CB-CG 3.96Å; H572-L575 WeakPolarHBondContact O-CB 3.46Å; H572-L575 PolarHBondContact O-N 3.01Å; H572-M576 PolarHBondContact O-N 2.83Å | ||
| 573 | P | 90 | Very high | 92.9 | Very high | 61 Ų | 61 | 29.3 Ų | 29.3 | 40% | 0.396 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -55.8 | -29.9 | -174 | -29.4 | 36.5 | 0 | 0 | 0 | 115.1 | Q571 M576 R577 L664 | Q571-P573 WeakPolarHBondContact O-CD 3.49Å; P573-M576 PolarHBondContact O-N 3.04Å; P573-R577 WeakPolarHBondContact O-CB 3.36Å; P573-R577 PolarHBondContact O-N 3.37Å; P573-L664 HydrophobicContact CB-CD2 4.08Å |
| 574 | T | 88.9 | Confident | 92.7 | Very high | 49 Ų | 49 | 29.1 Ų | 29.1 | 30% | 0.301 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 175.7 | 49.2 | 0 | 0 | 0 | 0 | 112.1 | H572 A578 | H572-T574 PolarHBondContact O-N 3.42Å; H572-T574 VanDerWaalsContact O-N 3.1Å; T574-A578 PolarHBondContact O-N 3.11Å |
| 575 | L | 91.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.7 | -39 | 173.5 | -61.5 | -177.8 | 0 | 0 | 0 | 111.1 | A480 Y485 K568 F569 H572 R577 A578 L579 Y673 | A480-L575 HydrophobicContact CB-CD2 3.79Å; Y485-L575 HydrophobicContact CD1-CD1 4.39Å; Y485-L575 HydrophobicContact CE1-CD1 4.34Å; Y485-L575 HydrophobicContact CE1-CD2 4.49Å; K568-L575 HydrophobicContact CG-CD1 4.19Å; F569-L575 HydrophobicContact CD1-CB 3.81Å; F569-L575 WeakPolarHBondContact CD1-O 3.21Å; F569-L575 HydrophobicContact CE1-CB 3.97Å; H572-L575 HydrophobicContact CB-CB 4.21Å; H572-L575 HydrophobicContact CB-CD1 3.78Å; H572-L575 HydrophobicContact CB-CG 3.96Å; H572-L575 WeakPolarHBondContact O-CB 3.46Å; H572-L575 PolarHBondContact O-N 3.01Å; L575-R577 VanDerWaalsContact C-N 3.34Å; L575-A578 PolarHBondContact O-N 3.43Å; L575-L579 PolarHBondContact O-N 2.96Å; L575-Y673 HydrophobicContact CD2-CD1 3.55Å; L575-Y673 HydrophobicContact CD2-CE1 3.45Å; L575-Y673 VanDerWaalsContact CD2-CE1 3.45Å |
| 576 | M | 93 | Very high | 92.3 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 5% | 0.054 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.5 | -177.4 | 166.2 | 72 | 0 | 0 | 111.2 | F569 H572 P573 L579 L580 F654 N659 L664 | F569-M576 HydrophobicContact CB-CB 4.12Å; F569-M576 HydrophobicContact CB-CG 4.5Å; F569-M576 WeakPolarHBondContact O-CB 3.32Å; H572-M576 PolarHBondContact O-N 2.83Å; P573-M576 PolarHBondContact O-N 3.04Å; M576-L579 PolarHBondContact O-N 3.26Å; M576-L580 HydrophobicContact CG-CD1 4.24Å; M576-L580 WeakPolarHBondContact O-CG 3.38Å; M576-L580 PolarHBondContact O-N 3.43Å; M576-F654 HydrophobicContact CG-CD2 4.21Å; M576-F654 HydrophobicContact CG-CG 4.45Å; M576-F654 HydrophobicContact SD-CD1 4.01Å; M576-F654 HydrophobicContact SD-CD2 4.27Å; M576-F654 HydrophobicContact SD-CE1 4.26Å; M576-F654 HydrophobicContact SD-CG 4.03Å; M576-F654 HydrophobicContact SD-CZ 4.5Å; M576-N659 HydrophobicContact CE-CB 4.36Å; M576-L664 HydrophobicContact CE-CD1 3.74Å; M576-L664 HydrophobicContact CE-CD2 3.44Å; M576-L664 VanDerWaalsContact CE-CD2 3.44Å; M576-L664 HydrophobicContact CE-CG 4.23Å; M576-L664 HydrophobicContact CG-CD1 4.23Å |
| 577 | R | 89.6 | Confident | 92.2 | Very high | 46 Ų | 46 | 25.7 Ų | 25.7 | 17% | 0.174 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -48.6 | 174.2 | -178.4 | 169.4 | 170.3 | 135 | 8.3 | 111.5 | P573 L575 L579 L580 E581 I661 L664 A665 | P573-R577 WeakPolarHBondContact O-CB 3.36Å; P573-R577 PolarHBondContact O-N 3.37Å; L575-R577 VanDerWaalsContact C-N 3.34Å; R577-L579 VanDerWaalsContact C-N 3.27Å; R577-L579 PolarHBondContact O-N 3.46Å; R577-L580 PolarHBondContact O-N 3.37Å; R577-L580 VanDerWaalsContact O-N 3.07Å; R577-E581 HydrophobicContact CG-CG 4.29Å; R577-E581 IonicContact CZ-OE1 2.76Å; R577-E581 IonicContact NE-OE1 2.75Å; R577-E581 PolarHBondContact NE-OE1 3.41Å; R577-E581 IonicContact NH2-OE1 3.02Å; R577-E581 PolarHBondContact NH2-OE1 3Å; R577-E581 WeakPolarHBondContact O-CB 3.42Å; R577-E581 WeakPolarHBondContact O-CG 3.46Å; R577-E581 PolarHBondContact O-N 2.91Å; R577-I661 HydrophobicContact CG-CG2 4.26Å; R577-I661 PolarHBondContact NH1-O 3.1Å; R577-L664 HydrophobicContact CB-CB 3.9Å; R577-L664 HydrophobicContact CB-CD1 3.85Å; R577-L664 HydrophobicContact CG-CB 4.25Å; R577-L664 PolarHBondContact NH1-O 3.19Å; R577-A665 VanDerWaalsContact CD-O 3.29Å; R577-A665 WeakPolarHBondContact CD-O 3.42Å |
| 578 | A | 89.1 | Confident | 92.1 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.2 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F481 T574 L575 | F481-A578 HydrophobicContact CE1-CB 3.95Å; F481-A578 HydrophobicContact CZ-CB 4.33Å; T574-A578 PolarHBondContact O-N 3.11Å; L575-A578 PolarHBondContact O-N 3.43Å |
| 579 | L | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 173.9 | 179.1 | 64 | 0 | 0 | 0 | 111.9 | F481 F569 L575 M576 R577 E581 T582 L587 L647 R651 F654 | F481-L579 HydrophobicContact CE1-CB 4.23Å; F569-L579 HydrophobicContact CD1-CB 4.28Å; F569-L579 HydrophobicContact CD1-CD2 4.21Å; F569-L579 HydrophobicContact CD2-CD2 4.1Å; F569-L579 HydrophobicContact CE1-CB 3.97Å; F569-L579 HydrophobicContact CE1-CD2 4.1Å; F569-L579 HydrophobicContact CE2-CD2 4.04Å; F569-L579 HydrophobicContact CG-CD2 4.21Å; F569-L579 HydrophobicContact CZ-CD2 4.03Å; L575-L579 PolarHBondContact O-N 2.96Å; M576-L579 PolarHBondContact O-N 3.26Å; R577-L579 VanDerWaalsContact C-N 3.27Å; R577-L579 PolarHBondContact O-N 3.46Å; L579-E581 VanDerWaalsContact C-N 3.35Å; L579-T582 WeakPolarHBondContact O-CB 3.28Å; L579-T582 WeakPolarHBondContact O-CG2 3.27Å; L579-T582 PolarHBondContact O-N 3.28Å; L579-T582 PolarHBondContact O-OG1 3.46Å; L579-L587 HydrophobicContact CD1-CD1 3.8Å; L579-L647 HydrophobicContact CD1-CB 4.14Å; L579-R651 HydrophobicContact CD1-CB 4.45Å; L579-R651 HydrophobicContact CD2-CB 4.28Å; L579-R651 HydrophobicContact CG-CB 4.13Å; L579-R651 HydrophobicContact CG-CG 4.5Å; L579-F654 HydrophobicContact CD2-CD2 4.45Å; L579-F654 HydrophobicContact CD2-CE2 4.34Å |
| 580 | L | 92.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -36 | 178.7 | -69.8 | 173.4 | 0 | 0 | 0 | 112.5 | M576 R577 T582 G583 R651 F654 R655 N659 I661 L664 | M576-L580 HydrophobicContact CG-CD1 4.24Å; M576-L580 WeakPolarHBondContact O-CG 3.38Å; M576-L580 PolarHBondContact O-N 3.43Å; R577-L580 PolarHBondContact O-N 3.37Å; R577-L580 VanDerWaalsContact O-N 3.07Å; L580-T582 PolarHBondContact O-N 3.24Å; L580-G583 PolarHBondContact O-N 3.26Å; L580-G583 VanDerWaalsContact O-N 3.15Å; L580-R651 HydrophobicContact CD2-CG 4.27Å; L580-F654 HydrophobicContact CD2-CB 4.26Å; L580-R655 HydrophobicContact CD2-CG 3.72Å; L580-R655 PolarHBondContact O-NH2 2.68Å; L580-N659 HydrophobicContact CD1-CB 4.19Å; L580-I661 HydrophobicContact CB-CD1 4.45Å; L580-I661 HydrophobicContact CB-CG1 3.84Å; L580-L664 HydrophobicContact CD1-CD1 3.81Å |
| 581 | E | 90.8 | Very high | 90.9 | Very high | 57 Ų | 57 | 22.3 Ų | 22.3 | 27% | 0.266 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.8 | 176.7 | -77.1 | 172.8 | 169.7 | 0 | 0 | 113.3 | R577 L579 G583 I661 I670 | R577-E581 HydrophobicContact CG-CG 4.29Å; R577-E581 IonicContact CZ-OE1 2.76Å; R577-E581 IonicContact NE-OE1 2.75Å; R577-E581 PolarHBondContact NE-OE1 3.41Å; R577-E581 IonicContact NH2-OE1 3.02Å; R577-E581 PolarHBondContact NH2-OE1 3Å; R577-E581 WeakPolarHBondContact O-CB 3.42Å; R577-E581 WeakPolarHBondContact O-CG 3.46Å; R577-E581 PolarHBondContact O-N 2.91Å; L579-E581 VanDerWaalsContact C-N 3.35Å; E581-G583 PolarHBondContact O-N 2.74Å; E581-G583 VanDerWaalsContact O-N 3.16Å; E581-I661 HydrophobicContact CG-CD1 4Å; E581-I661 HydrophobicContact CG-CG1 4.32Å; E581-I661 HydrophobicContact CG-CG2 4.04Å; E581-I670 WeakPolarHBondContact OE2-CD1 3.32Å; E581-I670 WeakPolarHBondContact OE2-CG1 3.32Å |
| 582 | T | 90.5 | Very high | 89.7 | Confident | 8 Ų | 8 | 22 Ų | 22 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.7 | 170.9 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | I473 F481 L579 L580 S585 L587 R651 | I473-T582 HydrophobicContact CD1-CG2 4.13Å; F481-T582 HydrophobicContact CE2-CG2 3.87Å; F481-T582 HydrophobicContact CZ-CG2 3.92Å; L579-T582 WeakPolarHBondContact O-CB 3.28Å; L579-T582 WeakPolarHBondContact O-CG2 3.27Å; L579-T582 PolarHBondContact O-N 3.28Å; L579-T582 PolarHBondContact O-OG1 3.46Å; L580-T582 PolarHBondContact O-N 3.24Å; T582-S585 VanDerWaalsContact O-CB 3.3Å; T582-S585 WeakPolarHBondContact O-CB 3.24Å; T582-S585 PolarHBondContact O-N 3.33Å; T582-S585 PolarHBondContact O-OG 3.46Å; T582-L587 HydrophobicContact CG2-CD2 3.98Å; T582-R651 WeakPolarHBondContact OG1-CD 3.4Å; T582-R651 PolarHBondContact OG1-NH1 2.87Å |
| 583 | G | 89 | Confident | 88.5 | Confident | 30 Ų | 30 | 20.3 Ų | 20.3 | 31% | 0.309 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -142 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L580 E581 S585 R651 R655 | L580-G583 PolarHBondContact O-N 3.26Å; L580-G583 VanDerWaalsContact O-N 3.15Å; E581-G583 PolarHBondContact O-N 2.74Å; E581-G583 VanDerWaalsContact O-N 3.16Å; G583-S585 VanDerWaalsContact C-N 3.31Å; G583-R651 WeakPolarHBondContact O-CD 3.46Å; G583-R651 PolarHBondContact O-NE 3.02Å; G583-R651 VanDerWaalsContact O-NE 3.08Å; G583-R651 PolarHBondContact O-NH1 3.27Å; G583-R655 PolarHBondContact O-NH2 3.16Å |
| 584 | D | 92 | Very high | 87.6 | Confident | 51 Ų | 51 | 18.2 Ų | 18.2 | 27% | 0.273 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 11.2 | 177.5 | -67.9 | -21.5 | 0 | 0 | 0 | 112.6 | F468 D469 R655 | F468-D584 CarbonylContact C-O 3.46Å; F468-D584 WeakPolarHBondContact CA-O 3.37Å; F468-D584 WeakPolarHBondContact CB-O 2.87Å; D469-D584 HydrophobicContact CB-CB 4.44Å; D469-D584 PolarHBondContact N-O 2.85Å; D584-R655 IonicContact OD1-CZ 3.06Å; D584-R655 IonicContact OD1-NH1 3.41Å; D584-R655 PolarHBondContact OD1-NH1 2.76Å; D584-R655 IonicContact OD1-NH2 3.73Å |
| 585 | S | 93.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | P | Polyproline II helix | trans | -55.8 | 143.3 | 178.7 | -42.4 | 0 | 0 | 0 | 0 | 112.5 | D469 K471 I473 T582 G583 L587 R651 | D469-S585 VanDerWaalsContact OD1-CA 3.25Å; D469-S585 WeakPolarHBondContact OD1-CA 3.48Å; D469-S585 PolarHBondContact OD1-N 3.41Å; K471-S585 WeakPolarHBondContact CD-OG 3.3Å; K471-S585 CarbonylContact O-C 3.51Å; K471-S585 VanDerWaalsContact O-CA 3.23Å; K471-S585 WeakPolarHBondContact O-CA 3.41Å; K471-S585 WeakPolarHBondContact O-CB 3.43Å; I473-S585 WeakPolarHBondContact CD1-OG 3.29Å; T582-S585 VanDerWaalsContact O-CB 3.3Å; T582-S585 WeakPolarHBondContact O-CB 3.24Å; T582-S585 PolarHBondContact O-N 3.33Å; T582-S585 PolarHBondContact O-OG 3.46Å; G583-S585 VanDerWaalsContact C-N 3.31Å; S585-L587 PolarHBondContact O-N 2.94Å; S585-R651 PolarHBondContact O-NH1 2.95Å; S585-R651 PolarHBondContact O-NH2 2.75Å |
| 586 | V | 93 | Very high | 86.2 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 118.8 | 169.3 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | F468 K471 I472 I473 V588 A620 L624 M648 | F468-V586 HydrophobicContact CB-CG2 3.95Å; F468-V586 HydrophobicContact CD2-CG2 3.9Å; F468-V586 HydrophobicContact CG-CG2 4.14Å; K471-V586 PolarHBondContact O-N 3.39Å; I472-V586 WeakPolarHBondContact CA-O 3.49Å; I472-V586 HydrophobicContact CG1-CB 4.43Å; I473-V586 PolarHBondContact N-O 2.83Å; V586-V588 HydrophobicContact CG1-CG2 4.12Å; V586-A620 HydrophobicContact CB-CB 4.39Å; V586-A620 HydrophobicContact CG2-CB 3.86Å; V586-L624 HydrophobicContact CG1-CD2 4.23Å; V586-L624 HydrophobicContact CG1-CG 4.44Å; V586-L624 HydrophobicContact CG2-CD1 3.98Å; V586-M648 HydrophobicContact CG1-CE 4.45Å; V586-M648 HydrophobicContact CG1-SD 4.45Å |
| 587 | L | 94.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.1 | 179 | -55.3 | -177.4 | 0 | 0 | 0 | 109.9 | I473 F475 L579 T582 S585 N641 G644 L647 M648 | I473-L587 HydrophobicContact CB-CD2 3.98Å; I473-L587 HydrophobicContact CD1-CD2 4.46Å; I473-L587 HydrophobicContact CG2-CD2 4.31Å; F475-L587 HydrophobicContact CE1-CB 4.03Å; L579-L587 HydrophobicContact CD1-CD1 3.8Å; T582-L587 HydrophobicContact CG2-CD2 3.98Å; S585-L587 PolarHBondContact O-N 2.94Å; L587-N641 PolarHBondContact O-ND2 2.61Å; L587-G644 WeakPolarHBondContact O-CA 3.49Å; L587-L647 HydrophobicContact CD1-CB 3.78Å; L587-M648 HydrophobicContact CB-CG 4.07Å; L587-M648 HydrophobicContact CB-SD 4.44Å; L587-M648 HydrophobicContact CD1-CG 3.95Å; L587-M648 HydrophobicContact CG-CG 3.79Å; L587-M648 HydrophobicContact CG-SD 4.47Å; L587-M648 PolarHBondContact N-SD 3.01Å |
| 588 | V | 93 | Very high | 85.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 115.7 | -178.4 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | I472 I473 C474 F475 V586 C590 I602 F609 L623 N641 | I472-V588 HydrophobicContact CG2-CB 4.27Å; I472-V588 HydrophobicContact CG2-CG2 3.63Å; I473-V588 PolarHBondContact O-N 3.04Å; C474-V588 CarbonylContact C-O 3.53Å; C474-V588 WeakPolarHBondContact CA-O 3.35Å; F475-V588 VanDerWaalsContact CD1-O 3.3Å; F475-V588 WeakPolarHBondContact CD1-O 3.24Å; F475-V588 PolarHBondContact N-O 2.98Å; V586-V588 HydrophobicContact CG1-CG2 4.12Å; V588-C590 PolarHBondContact O-N 3.16Å; V588-I602 HydrophobicContact CG1-CB 3.73Å; V588-I602 HydrophobicContact CG1-CD1 4.36Å; V588-I602 HydrophobicContact CG1-CG1 3.86Å; V588-I602 HydrophobicContact CG1-CG2 3.91Å; V588-F609 HydrophobicContact CB-CE1 4.32Å; V588-F609 HydrophobicContact CG1-CD1 4.3Å; V588-F609 HydrophobicContact CG1-CE1 3.91Å; V588-F609 HydrophobicContact CG1-CE2 4.36Å; V588-F609 HydrophobicContact CG1-CZ 3.94Å; V588-F609 HydrophobicContact CG2-CE1 4.23Å; V588-F609 HydrophobicContact CG2-CZ 4.14Å; V588-L623 HydrophobicContact CG2-CD2 4.21Å; V588-N641 WeakPolarHBondContact CA-OD1 3.3Å |
| 589 | Y | 92.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 98 | 173.2 | 177.8 | -142.3 | 0 | 0 | 0 | 109.7 | F475 I477 H482 H591 L600 A601 I602 N641 L643 | F475-Y589 HydrophobicContact CD2-CD2 4.05Å; F475-Y589 AromaticContact CE2-CD2 3.73Å; F475-Y589 HydrophobicContact CE2-CD2 3.73Å; F475-Y589 HydrophobicContact CE2-CG 4.02Å; F475-Y589 HydrophobicContact CZ-CD2 4.37Å; F475-Y589 HydrophobicContact CZ-CG 4.25Å; F475-Y589 WeakPolarHBondContact O-CA 3.43Å; I477-Y589 HydrophobicContact CB-CE2 4.38Å; H482-Y589 AromaticContact CD2-CE2 3.53Å; H482-Y589 AromaticContact CD2-CZ 3.59Å; H482-Y589 AromaticContact NE2-CE2 3.94Å; H482-Y589 AromaticContact NE2-CZ 3.48Å; H482-Y589 PolarHBondContact NE2-OH 2.78Å; Y589-H591 HydrophobicContact CD1-CB 4.45Å; Y589-H591 HydrophobicContact CD2-CB 4.27Å; Y589-H591 HydrophobicContact CE1-CB 3.83Å; Y589-H591 HydrophobicContact CE2-CB 3.62Å; Y589-H591 AromaticContact CZ-CG 3.83Å; Y589-H591 PolarHBondContact O-N 3.35Å; Y589-H591 WeakPolarHBondContact OH-CB 3.23Å; Y589-H591 PolarHBondContact OH-CD2 3.48Å; Y589-H591 VanDerWaalsContact OH-CG 3.32Å; Y589-L600 HydrophobicContact CD1-CG 4.27Å; Y589-L600 HydrophobicContact CE1-CD2 4.16Å; Y589-L600 HydrophobicContact CE1-CG 4.11Å; Y589-A601 HydrophobicContact CD1-CB 3.53Å; Y589-A601 HydrophobicContact CE1-CB 3.62Å; Y589-A601 HydrophobicContact CG-CB 4.34Å; Y589-I602 WeakPolarHBondContact O-CG2 3.37Å; Y589-I602 PolarHBondContact O-N 2.9Å; Y589-N641 PolarHBondContact N-OD1 3.4Å; Y589-L643 HydrophobicContact CD1-CB 3.97Å; Y589-L643 HydrophobicContact CD1-CD2 3.72Å; Y589-L643 HydrophobicContact CD1-CG 4.44Å; Y589-L643 HydrophobicContact CD2-CD2 4.21Å; Y589-L643 HydrophobicContact CE1-CD2 4.09Å; Y589-L643 HydrophobicContact CG-CB 4.31Å; Y589-L643 HydrophobicContact CG-CD2 3.83Å |
| 590 | C | 87.2 | Confident | 85.4 | Confident | 11 Ų | 11 | 15.3 Ų | 15.3 | 7% | 0.074 | 8% | 0.084 | C | C | . | . | trans | -82.1 | 93.1 | 179.3 | -68.1 | 0 | 0 | 0 | 0 | 109.8 | C474 F475 V588 M604 E606 | C474-C590 VanDerWaalsContact SG-SG 3.67Å; F475-C590 PolarHBondContact O-N 3.32Å; V588-C590 PolarHBondContact O-N 3.16Å; C590-M604 CarbonylContact C-O 3.53Å; C590-M604 WeakPolarHBondContact CA-O 3.39Å; C590-E606 HydrophobicContact CB-CB 4.14Å | ||
| 591 | H | 79.6 | Confident | 85.2 | Confident | 11 Ų | 11 | 15.4 Ų | 15.4 | 5% | 0.051 | 9% | 0.086 | C | C | . | . | trans | -144.6 | 155.5 | 172.7 | -171.9 | -83.8 | 0 | 0 | 0 | 109.7 | Y589 A601 G603 M604 | Y589-H591 HydrophobicContact CD1-CB 4.45Å; Y589-H591 HydrophobicContact CD2-CB 4.27Å; Y589-H591 HydrophobicContact CE1-CB 3.83Å; Y589-H591 HydrophobicContact CE2-CB 3.62Å; Y589-H591 AromaticContact CZ-CG 3.83Å; Y589-H591 PolarHBondContact O-N 3.35Å; Y589-H591 WeakPolarHBondContact OH-CB 3.23Å; Y589-H591 PolarHBondContact OH-CD2 3.48Å; Y589-H591 VanDerWaalsContact OH-CG 3.32Å; H591-A601 HydrophobicContact CB-CB 3.82Å; H591-G603 CarbonylContact O-C 3.33Å; H591-G603 WeakPolarHBondContact O-CA 3.4Å; H591-G603 PolarHBondContact O-N 3.12Å; H591-M604 PolarHBondContact N-O 3.48Å; H591-M604 PolarHBondContact O-N 3.36Å; H591-M604 VanDerWaalsContact O-N 3.11Å | ||
| 592 | R | 68.9 | Low | 85.1 | Confident | 63 Ų | 63 | 12.7 Ų | 12.7 | 24% | 0.238 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -53.7 | 142.6 | 178.6 | -57.2 | 179.7 | -164.6 | -144.5 | -4.6 | 111.1 | T594 L693 | R592-T594 PolarHBondContact O-N 3.4Å; R592-L693 PolarHBondContact NH1-O 3.22Å; R592-L693 PolarHBondContact NH2-O 3.07Å |
| 593 | C | 67.4 | Low | 84.6 | Confident | 14 Ų | 14 | 12.3 Ų | 12.3 | 10% | 0.095 | 7% | 0.071 | C | C | . | . | trans | -71 | 120.6 | 170.6 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | G603 W696 | C593-G603 VanDerWaalsContact N-CA 3.31Å; C593-G603 PolarHBondContact N-O 2.98Å; C593-G603 VanDerWaalsContact N-O 3.09Å; C593-W696 HydrophobicContact CB-CH2 4.01Å; C593-W696 HydrophobicContact CB-CZ2 3.88Å | ||
| 594 | T | 70.4 | Confident | 84.1 | Confident | 17 Ų | 17 | 10.9 Ų | 10.9 | 10% | 0.104 | 6% | 0.056 | C | C | . | . | trans | -118.2 | 149.2 | 173.9 | 63.6 | 0 | 0 | 0 | 0 | 109.5 | R592 W596 | R592-T594 PolarHBondContact O-N 3.4Å; T594-W596 PolarHBondContact O-N 2.97Å | ||
| 595 | S | 74.2 | Confident | 83.3 | Confident | 8 Ų | 8 | 10.7 Ų | 10.7 | 6% | 0.056 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -62.5 | -20.3 | 172.9 | 63 | 0 | 0 | 0 | 0 | 112.8 | S236 T238 T240 E369 | S236-S595 WeakPolarHBondContact O-CB 3.29Å; T238-S595 WeakPolarHBondContact CB-OG 3.22Å; T238-S595 PolarHBondContact OG1-OG 3.31Å; T240-S595 PolarHBondContact N-O 3.39Å; E369-S595 WeakPolarHBondContact OE1-CB 3.31Å; E369-S595 PolarHBondContact OE1-N 2.9Å; E369-S595 PolarHBondContact OE1-OG 3.19Å; E369-S595 PolarHBondContact OE2-OG 3.36Å |
| 596 | W | 76.5 | Confident | 82.7 | Confident | 21 Ų | 21 | 14.7 Ų | 14.7 | 8% | 0.08 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -54 | -58.6 | 176.8 | 174.5 | 62.4 | 0 | 0 | 0 | 112.4 | T240 F506 C532 Q536 F557 T594 L600 E684 | T240-W596 PolarHBondContact N-O 3.14Å; T240-W596 PolarHBondContact OG1-O 3.03Å; F506-W596 AromaticContact CE1-CZ2 3.89Å; F506-W596 HydrophobicContact CE1-CZ2 3.89Å; F506-W596 HydrophobicContact CZ-CH2 4.15Å; F506-W596 AromaticContact CZ-CZ2 3.81Å; F506-W596 HydrophobicContact CZ-CZ2 3.81Å; C532-W596 VanDerWaalsContact SG-CZ2 3.51Å; Q536-W596 VanDerWaalsContact OE1-CD1 3.29Å; F557-W596 HydrophobicContact CE1-CH2 4.48Å; F557-W596 HydrophobicContact CE2-CH2 4.1Å; F557-W596 HydrophobicContact CE2-CZ2 4.06Å; F557-W596 AromaticContact CZ-CH2 3.66Å; F557-W596 HydrophobicContact CZ-CH2 3.66Å; F557-W596 HydrophobicContact CZ-CZ2 4.03Å; T594-W596 PolarHBondContact O-N 2.97Å; W596-L600 HydrophobicContact CH2-CD2 4.09Å; W596-L600 HydrophobicContact CZ3-CD2 3.62Å; W596-E684 WeakPolarHBondContact CZ3-OE2 3.37Å |
| 597 | C | 81.9 | Confident | 81.9 | Confident | 12 Ų | 12 | 18.2 Ų | 18.2 | 8% | 0.081 | 11% | 0.106 | C | C | . | . | trans | -146.8 | 76.4 | 179.4 | -161.5 | 0 | 0 | 0 | 0 | 110 | F558 E599 L600 | F558-C597 VanDerWaalsContact CZ-SG 3.58Å; C597-E599 PolarHBondContact O-N 3.25Å; C597-L600 HydrophobicContact CB-CB 4.01Å; C597-L600 WeakPolarHBondContact O-CB 3.03Å; C597-L600 PolarHBondContact O-N 3.31Å | ||
| 598 | P | 84 | Confident | 80.7 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.3 | -175.9 | 25.2 | -36 | 0 | 0 | 0 | 113.1 | F241 L456 Y631 G639 G640 | F241-P598 HydrophobicContact CE2-CG 3.99Å; F241-P598 HydrophobicContact CZ-CG 4.19Å; L456-P598 HydrophobicContact CD1-CG 3.76Å; P598-Y631 HydrophobicContact CB-CD2 4.09Å; P598-Y631 HydrophobicContact CB-CE2 3.63Å; P598-Y631 HydrophobicContact CG-CE2 4.46Å; P598-G639 VanDerWaalsContact O-CA 3.25Å; P598-G639 WeakPolarHBondContact O-CA 3.24Å; P598-G640 PolarHBondContact O-N 3.02Å; P598-G640 VanDerWaalsContact O-N 3.1Å |
| 599 | E | 90.2 | Very high | 80.1 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 2% | 0.023 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -16.8 | 178.3 | -64.1 | -63.2 | 147.4 | 0 | 0 | 113.5 | L456 I457 F558 C597 R634 G640 N641 R642 | L456-E599 HydrophobicContact CB-CG 4.07Å; L456-E599 HydrophobicContact CD1-CG 4.38Å; I457-E599 HydrophobicContact CB-CG 4.46Å; I457-E599 HydrophobicContact CD1-CB 4.08Å; I457-E599 HydrophobicContact CD1-CG 4.17Å; I457-E599 HydrophobicContact CG1-CB 4.46Å; I457-E599 HydrophobicContact CG1-CG 4.02Å; I457-E599 HydrophobicContact CG2-CB 4.04Å; I457-E599 HydrophobicContact CG2-CG 3.71Å; F558-E599 HydrophobicContact CZ-CB 4.02Å; C597-E599 PolarHBondContact O-N 3.25Å; E599-R634 IonicContact OE1-CZ 3.93Å; E599-R634 IonicContact OE1-NH1 2.74Å; E599-R634 PolarHBondContact OE1-NH1 3.16Å; E599-R634 IonicContact OE1-NH2 2.66Å; E599-R634 PolarHBondContact OE1-NH2 3.18Å; E599-R634 IonicContact OE2-CZ 2.78Å; E599-R634 IonicContact OE2-NH1 2.69Å; E599-R634 PolarHBondContact OE2-NH1 3.18Å; E599-R634 VanDerWaalsContact OE2-NH1 3.12Å; E599-R634 IonicContact OE2-NH2 3.91Å; E599-R634 PolarHBondContact OE2-NH2 3.08Å; E599-G640 CarbonylContact O-C 3.56Å; E599-G640 WeakPolarHBondContact O-CA 3.14Å; E599-G640 WeakPolarHBondContact OE2-CA 3.37Å; E599-N641 PolarHBondContact O-N 3Å; E599-R642 WeakPolarHBondContact O-CB 3.44Å; E599-R642 PolarHBondContact O-N 2.94Å |
| 600 | L | 91.6 | Very high | 79.7 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -48.8 | -173 | -172.5 | 68.2 | 0 | 0 | 0 | 112.8 | Y502 F557 F558 L561 Y589 W596 C597 N641 R642 L643 | Y502-L600 WeakPolarHBondContact OH-CD2 3.43Å; F557-L600 HydrophobicContact CE1-CD1 4.24Å; F558-L600 HydrophobicContact CE1-CD1 4.22Å; L561-L600 HydrophobicContact CD2-CD1 3.68Å; Y589-L600 HydrophobicContact CD1-CG 4.27Å; Y589-L600 HydrophobicContact CE1-CD2 4.16Å; Y589-L600 HydrophobicContact CE1-CG 4.11Å; W596-L600 HydrophobicContact CH2-CD2 4.09Å; W596-L600 HydrophobicContact CZ3-CD2 3.62Å; C597-L600 HydrophobicContact CB-CB 4.01Å; C597-L600 WeakPolarHBondContact O-CB 3.03Å; C597-L600 PolarHBondContact O-N 3.31Å; L600-N641 CarbonylContact O-C 3.51Å; L600-R642 PolarHBondContact O-N 3.41Å; L600-R642 VanDerWaalsContact O-N 3.12Å; L600-L643 HydrophobicContact CD1-CB 3.77Å; L600-L643 HydrophobicContact CG-CB 4.21Å; L600-L643 PolarHBondContact O-N 3.49Å; L600-L643 VanDerWaalsContact O-N 3.09Å |
| 601 | A | 89.8 | Confident | 79.1 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -104.6 | 167.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y589 H591 G603 G639 G640 N641 | Y589-A601 HydrophobicContact CD1-CB 3.53Å; Y589-A601 HydrophobicContact CE1-CB 3.62Å; Y589-A601 HydrophobicContact CG-CB 4.34Å; H591-A601 HydrophobicContact CB-CB 3.82Å; A601-G603 VanDerWaalsContact C-N 3.27Å; A601-G639 CarbonylContact O-C 3.44Å; A601-G639 WeakPolarHBondContact O-CA 3.33Å; A601-G640 PolarHBondContact O-N 3.3Å; A601-G640 VanDerWaalsContact O-N 3.15Å; A601-N641 PolarHBondContact O-N 3.38Å |
| 602 | I | 87.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -73.5 | -21 | 172.9 | -161.8 | 61 | 0 | 0 | 0 | 112.9 | V588 Y589 M604 F609 L623 I627 L638 G639 N641 | V588-I602 HydrophobicContact CG1-CB 3.73Å; V588-I602 HydrophobicContact CG1-CD1 4.36Å; V588-I602 HydrophobicContact CG1-CG1 3.86Å; V588-I602 HydrophobicContact CG1-CG2 3.91Å; Y589-I602 WeakPolarHBondContact O-CG2 3.37Å; Y589-I602 PolarHBondContact O-N 2.9Å; I602-M604 HydrophobicContact CG2-CB 4.35Å; I602-F609 HydrophobicContact CD1-CE2 4.24Å; I602-F609 HydrophobicContact CG1-CD2 3.78Å; I602-F609 HydrophobicContact CG1-CE2 3.72Å; I602-F609 HydrophobicContact CG2-CD2 4.41Å; I602-L623 HydrophobicContact CD1-CD1 4.21Å; I602-I627 HydrophobicContact CD1-CD1 3.66Å; I602-I627 HydrophobicContact CD1-CG1 4Å; I602-L638 HydrophobicContact CD1-CD1 3.64Å; I602-L638 HydrophobicContact CG1-CD1 4.15Å; I602-G639 PolarHBondContact O-N 3.18Å; I602-N641 HydrophobicContact CD1-CB 4.01Å | ||
| 603 | G | 80.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | 99.7 | -5.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H591 C593 A601 W696 | H591-G603 CarbonylContact O-C 3.33Å; H591-G603 WeakPolarHBondContact O-CA 3.4Å; H591-G603 PolarHBondContact O-N 3.12Å; C593-G603 VanDerWaalsContact N-CA 3.31Å; C593-G603 PolarHBondContact N-O 2.98Å; C593-G603 VanDerWaalsContact N-O 3.09Å; A601-G603 VanDerWaalsContact C-N 3.27Å; G603-W696 WeakPolarHBondContact O-CH2 3.46Å |
| 604 | M | 78 | Confident | 79.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -131 | 157.6 | -171 | -59.5 | 170.8 | -157.4 | 0 | 0 | 111.5 | C590 H591 I602 D608 F609 W612 L638 P699 | C590-M604 CarbonylContact C-O 3.53Å; C590-M604 WeakPolarHBondContact CA-O 3.39Å; H591-M604 PolarHBondContact N-O 3.48Å; H591-M604 PolarHBondContact O-N 3.36Å; H591-M604 VanDerWaalsContact O-N 3.11Å; I602-M604 HydrophobicContact CG2-CB 4.35Å; M604-D608 HydrophobicContact CB-CB 4.47Å; M604-F609 HydrophobicContact CB-CB 3.95Å; M604-F609 HydrophobicContact SD-CB 4.38Å; M604-F609 HydrophobicContact SD-CD2 4.22Å; M604-W612 HydrophobicContact CE-CD2 3.93Å; M604-W612 HydrophobicContact CE-CE3 4.19Å; M604-W612 HydrophobicContact CE-CG 4.32Å; M604-W612 HydrophobicContact CE-CZ2 4.32Å; M604-W612 HydrophobicContact SD-CB 4.25Å; M604-W612 HydrophobicContact SD-CD2 4.09Å; M604-W612 HydrophobicContact SD-CE3 4.19Å; M604-W612 HydrophobicContact SD-CG 4.15Å; M604-L638 HydrophobicContact CE-CB 4.5Å; M604-L638 HydrophobicContact CE-CD1 4.26Å; M604-P699 HydrophobicContact CE-CG 3.73Å; M604-P699 HydrophobicContact CG-CG 4.1Å; M604-P699 HydrophobicContact SD-CG 3.63Å |
| 605 | S | 75.2 | Confident | 80 | Confident | 47 Ų | 47 | 31.7 Ų | 31.7 | 33% | 0.329 | 18% | 0.179 | S | C | . | . | trans | -67.4 | 160.6 | 165.6 | 77.9 | 0 | 0 | 0 | 0 | 110.1 | A607 D608 F609 | S605-A607 VanDerWaalsContact C-N 3.35Å; S605-A607 PolarHBondContact O-N 3.11Å; S605-D608 PolarHBondContact O-N 3.16Å; S605-D608 WeakPolarHBondContact OG-CB 3.43Å; S605-D608 PolarHBondContact OG-N 3.05Å; S605-D608 VanDerWaalsContact OG-N 3.13Å; S605-D608 PolarHBondContact OG-OD2 3.46Å; S605-F609 WeakPolarHBondContact O-CB 3.34Å; S605-F609 PolarHBondContact O-N 3.4Å | ||
| 606 | E | 80 | Confident | 80 | Confident | 86 Ų | 86 | 33.1 Ų | 33.1 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 178 | 176.3 | 171.6 | -176.1 | 0 | 0 | 112.2 | C474 C590 F609 L610 | C474-E606 HydrophobicContact CB-CB 4.27Å; C474-E606 VanDerWaalsContact CB-CD 3.47Å; C474-E606 HydrophobicContact CB-CG 3.62Å; C590-E606 HydrophobicContact CB-CB 4.14Å; E606-F609 PolarHBondContact O-N 3.33Å; E606-L610 HydrophobicContact CG-CD1 3.93Å; E606-L610 HydrophobicContact CG-CG 4.41Å; E606-L610 WeakPolarHBondContact O-CB 3.19Å; E606-L610 VanDerWaalsContact O-CG 3.3Å; E606-L610 WeakPolarHBondContact O-CG 3.27Å; E606-L610 PolarHBondContact O-N 3.19Å |
| 607 | A | 76.4 | Confident | 80.2 | Confident | 73 Ų | 73 | 39.8 Ų | 39.8 | 60% | 0.603 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63 | -44.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | S605 L611 | S605-A607 VanDerWaalsContact C-N 3.35Å; S605-A607 PolarHBondContact O-N 3.11Å; A607-L611 VanDerWaalsContact O-CB 3.31Å; A607-L611 WeakPolarHBondContact O-CB 3.3Å; A607-L611 PolarHBondContact O-N 3.02Å |
| 608 | D | 70.8 | Confident | 80.3 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -38.7 | 178.3 | -66 | -48.3 | 0 | 0 | 0 | 111.6 | M604 S605 W612 N698 | M604-D608 HydrophobicContact CB-CB 4.47Å; S605-D608 PolarHBondContact O-N 3.16Å; S605-D608 WeakPolarHBondContact OG-CB 3.43Å; S605-D608 PolarHBondContact OG-N 3.05Å; S605-D608 VanDerWaalsContact OG-N 3.13Å; S605-D608 PolarHBondContact OG-OD2 3.46Å; D608-W612 WeakPolarHBondContact O-CB 3.36Å; D608-W612 PolarHBondContact O-N 3.4Å; D608-N698 PolarHBondContact OD1-ND2 3.41Å; D608-N698 VanDerWaalsContact OD1-ND2 3.11Å |
| 609 | F | 80.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -49 | 179.9 | 171.3 | -108.1 | 0 | 0 | 0 | 112 | I472 V588 I602 M604 S605 E606 L611 W612 M613 L623 | I472-F609 HydrophobicContact CG2-CE1 4.04Å; V588-F609 HydrophobicContact CB-CE1 4.32Å; V588-F609 HydrophobicContact CG1-CD1 4.3Å; V588-F609 HydrophobicContact CG1-CE1 3.91Å; V588-F609 HydrophobicContact CG1-CE2 4.36Å; V588-F609 HydrophobicContact CG1-CZ 3.94Å; V588-F609 HydrophobicContact CG2-CE1 4.23Å; V588-F609 HydrophobicContact CG2-CZ 4.14Å; I602-F609 HydrophobicContact CD1-CE2 4.24Å; I602-F609 HydrophobicContact CG1-CD2 3.78Å; I602-F609 HydrophobicContact CG1-CE2 3.72Å; I602-F609 HydrophobicContact CG2-CD2 4.41Å; M604-F609 HydrophobicContact CB-CB 3.95Å; M604-F609 HydrophobicContact SD-CB 4.38Å; M604-F609 HydrophobicContact SD-CD2 4.22Å; S605-F609 WeakPolarHBondContact O-CB 3.34Å; S605-F609 PolarHBondContact O-N 3.4Å; E606-F609 PolarHBondContact O-N 3.33Å; F609-L611 VanDerWaalsContact C-N 3.33Å; F609-L611 PolarHBondContact O-N 3.32Å; F609-W612 HydrophobicContact CD2-CE3 4.24Å; F609-W612 HydrophobicContact CE2-CE3 4.33Å; F609-W612 HydrophobicContact CE2-CZ3 4.27Å; F609-W612 PolarHBondContact O-N 2.81Å; F609-M613 HydrophobicContact CD2-CG 4.21Å; F609-M613 HydrophobicContact CE1-CG 4.08Å; F609-M613 HydrophobicContact CE2-CG 3.68Å; F609-M613 HydrophobicContact CE2-SD 4.06Å; F609-M613 HydrophobicContact CZ-CG 3.6Å; F609-M613 HydrophobicContact CZ-SD 3.99Å; F609-M613 WeakPolarHBondContact O-CB 3.46Å; F609-M613 WeakPolarHBondContact O-CG 3.04Å; F609-M613 PolarHBondContact O-N 3.26Å; F609-L623 HydrophobicContact CE2-CD1 3.95Å; F609-L623 HydrophobicContact CE2-CD2 4.16Å; F609-L623 HydrophobicContact CZ-CD1 4.28Å; F609-L623 HydrophobicContact CZ-CD2 3.62Å |
| 610 | L | 82.6 | Confident | 80.4 | Confident | 83 Ų | 83 | 43.1 Ų | 43.1 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 179.5 | -69.3 | 175.3 | 0 | 0 | 0 | 111.4 | E606 M613 D614 | E606-L610 HydrophobicContact CG-CD1 3.93Å; E606-L610 HydrophobicContact CG-CG 4.41Å; E606-L610 WeakPolarHBondContact O-CB 3.19Å; E606-L610 VanDerWaalsContact O-CG 3.3Å; E606-L610 WeakPolarHBondContact O-CG 3.27Å; E606-L610 PolarHBondContact O-N 3.19Å; L610-M613 PolarHBondContact O-N 3.23Å; L610-D614 PolarHBondContact O-N 3.25Å; L610-D614 VanDerWaalsContact O-N 3.14Å |
| 611 | L | 74.4 | Confident | 80.2 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 38% | 0.377 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 175.7 | 179.1 | 59.4 | 0 | 0 | 0 | 112.3 | A607 F609 D614 I615 L700 | A607-L611 VanDerWaalsContact O-CB 3.31Å; A607-L611 WeakPolarHBondContact O-CB 3.3Å; A607-L611 PolarHBondContact O-N 3.02Å; F609-L611 VanDerWaalsContact C-N 3.33Å; F609-L611 PolarHBondContact O-N 3.32Å; L611-D614 PolarHBondContact O-N 3.34Å; L611-I615 HydrophobicContact CD1-CD1 3.75Å; L611-I615 HydrophobicContact CG-CD1 4.1Å; L611-I615 PolarHBondContact O-N 3.08Å; L611-I615 VanDerWaalsContact O-N 3.09Å; L611-L700 HydrophobicContact CD1-CD1 4.3Å; L611-L700 HydrophobicContact CD2-CD1 3.47Å; L611-L700 VanDerWaalsContact CD2-CD1 3.47Å; L611-L700 HydrophobicContact CD2-CG 4.46Å; L611-L700 HydrophobicContact CG-CD1 3.69Å; L611-L700 HydrophobicContact CG-CG 4.44Å |
| 612 | W | 75.7 | Confident | 80.1 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 176.1 | 172.6 | 77 | 0 | 0 | 0 | 112.4 | M604 D608 F609 I615 C616 L618 L623 L635 L638 P699 | M604-W612 HydrophobicContact CE-CD2 3.93Å; M604-W612 HydrophobicContact CE-CE3 4.19Å; M604-W612 HydrophobicContact CE-CG 4.32Å; M604-W612 HydrophobicContact CE-CZ2 4.32Å; M604-W612 HydrophobicContact SD-CB 4.25Å; M604-W612 HydrophobicContact SD-CD2 4.09Å; M604-W612 HydrophobicContact SD-CE3 4.19Å; M604-W612 HydrophobicContact SD-CG 4.15Å; D608-W612 WeakPolarHBondContact O-CB 3.36Å; D608-W612 PolarHBondContact O-N 3.4Å; F609-W612 HydrophobicContact CD2-CE3 4.24Å; F609-W612 HydrophobicContact CE2-CE3 4.33Å; F609-W612 HydrophobicContact CE2-CZ3 4.27Å; F609-W612 PolarHBondContact O-N 2.81Å; W612-I615 PolarHBondContact O-N 2.88Å; W612-C616 PolarHBondContact NE1-SG 2.7Å; W612-C616 VanDerWaalsContact NE1-SG 3.35Å; W612-C616 WeakPolarHBondContact O-CB 3.45Å; W612-C616 PolarHBondContact O-N 3.19Å; W612-C616 PolarHBondContact O-SG 3.06Å; W612-L618 HydrophobicContact CE3-CD1 4.33Å; W612-L618 HydrophobicContact CH2-CD1 3.41Å; W612-L618 VanDerWaalsContact CH2-CD1 3.41Å; W612-L618 HydrophobicContact CZ2-CD1 4.09Å; W612-L618 HydrophobicContact CZ3-CD1 3.54Å; W612-L623 HydrophobicContact CZ3-CD1 4.16Å; W612-L635 HydrophobicContact CH2-CD1 4.13Å; W612-L635 HydrophobicContact CZ2-CB 4.12Å; W612-L635 HydrophobicContact CZ2-CD1 3.47Å; W612-L635 VanDerWaalsContact CZ2-CD1 3.47Å; W612-L635 HydrophobicContact CZ2-CG 4.42Å; W612-L638 HydrophobicContact CH2-CD1 3.87Å; W612-L638 HydrophobicContact CH2-CD2 4.18Å; W612-L638 HydrophobicContact CZ3-CD1 4.21Å; W612-P699 HydrophobicContact CB-CB 4.36Å; W612-P699 HydrophobicContact CB-CG 4.36Å; W612-P699 HydrophobicContact CG-CB 3.94Å; W612-P699 HydrophobicContact CG-CG 4.17Å |
| 613 | M | 79.3 | Confident | 80.2 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58 | -46.9 | 174.4 | -81.9 | -73 | -63.8 | 0 | 0 | 111.7 | I472 F609 L610 C616 Q617 L618 L623 | I472-M613 HydrophobicContact CD1-CE 3.62Å; F609-M613 HydrophobicContact CD2-CG 4.21Å; F609-M613 HydrophobicContact CE1-CG 4.08Å; F609-M613 HydrophobicContact CE2-CG 3.68Å; F609-M613 HydrophobicContact CE2-SD 4.06Å; F609-M613 HydrophobicContact CZ-CG 3.6Å; F609-M613 HydrophobicContact CZ-SD 3.99Å; F609-M613 WeakPolarHBondContact O-CB 3.46Å; F609-M613 WeakPolarHBondContact O-CG 3.04Å; F609-M613 PolarHBondContact O-N 3.26Å; L610-M613 PolarHBondContact O-N 3.23Å; M613-C616 PolarHBondContact O-N 2.79Å; M613-Q617 PolarHBondContact O-N 3.32Å; M613-L618 HydrophobicContact CE-CB 3.66Å; M613-L618 WeakPolarHBondContact CE-O 3.4Å; M613-L618 PolarHBondContact O-N 3.18Å; M613-L618 HydrophobicContact SD-CB 3.54Å; M613-L618 VanDerWaalsContact SD-CB 3.54Å; M613-L618 HydrophobicContact SD-CD1 4.02Å; M613-L618 HydrophobicContact SD-CG 4.41Å; M613-L623 HydrophobicContact CE-CB 4.25Å; M613-L623 HydrophobicContact CE-CD2 4.38Å; M613-L623 HydrophobicContact SD-CB 4.08Å; M613-L623 HydrophobicContact SD-CD1 3.91Å; M613-L623 HydrophobicContact SD-CD2 4.12Å; M613-L623 HydrophobicContact SD-CG 4.25Å |
| 614 | D | 79.3 | Confident | 80.6 | Confident | 119 Ų | 119 | 49.1 Ų | 49.1 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.7 | -48.6 | 177.8 | -176.6 | 58.2 | 0 | 0 | 0 | 111.4 | L610 L611 C616 Q617 | L610-D614 PolarHBondContact O-N 3.25Å; L610-D614 VanDerWaalsContact O-N 3.14Å; L611-D614 PolarHBondContact O-N 3.34Å; D614-C616 PolarHBondContact O-N 2.94Å; D614-Q617 PolarHBondContact O-N 2.98Å |
| 615 | I | 71.6 | Confident | 80.9 | Confident | 81 Ų | 81 | 50.9 Ų | 50.9 | 42% | 0.415 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.2 | -34.4 | -178.1 | -75.7 | 165.1 | 0 | 0 | 0 | 112.7 | L611 W612 Q617 L700 L703 | L611-I615 HydrophobicContact CD1-CD1 3.75Å; L611-I615 HydrophobicContact CG-CD1 4.1Å; L611-I615 PolarHBondContact O-N 3.08Å; L611-I615 VanDerWaalsContact O-N 3.09Å; W612-I615 PolarHBondContact O-N 2.88Å; I615-Q617 VanDerWaalsContact C-N 3.25Å; I615-L700 HydrophobicContact CB-CD2 3.87Å; I615-L700 HydrophobicContact CD1-CD1 3.39Å; I615-L700 HydrophobicContact CD1-CD2 3.19Å; I615-L700 HydrophobicContact CD1-CG 3.83Å; I615-L700 HydrophobicContact CG1-CD2 4.07Å; I615-L700 HydrophobicContact CG2-CD2 3.67Å; I615-L703 HydrophobicContact CG2-CD1 4.15Å |
| 616 | C | 73.9 | Confident | 81.4 | Confident | 38 Ų | 38 | 51 Ų | 51 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -3.5 | 173.5 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | W612 M613 D614 L618 | W612-C616 PolarHBondContact NE1-SG 2.7Å; W612-C616 VanDerWaalsContact NE1-SG 3.35Å; W612-C616 WeakPolarHBondContact O-CB 3.45Å; W612-C616 PolarHBondContact O-N 3.19Å; W612-C616 PolarHBondContact O-SG 3.06Å; M613-C616 PolarHBondContact O-N 2.79Å; D614-C616 PolarHBondContact O-N 2.94Å; C616-L618 VanDerWaalsContact C-N 3.26Å; C616-L618 HydrophobicContact CB-CD1 3.8Å; C616-L618 HydrophobicContact CB-CD2 4.48Å; C616-L618 HydrophobicContact CB-CG 3.67Å; C616-L618 PolarHBondContact O-N 3.33Å |
| 617 | Q | 81.2 | Confident | 81.7 | Confident | 161 Ų | 161 | 47 Ų | 47 | 75% | 0.752 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 44 | -177.5 | -58 | 179.8 | 7.2 | 0 | 0 | 112.9 | M613 D614 I615 | M613-Q617 PolarHBondContact O-N 3.32Å; D614-Q617 PolarHBondContact O-N 2.98Å; I615-Q617 VanDerWaalsContact C-N 3.25Å |
| 618 | L | 84.4 | Confident | 82 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | trans | -91.1 | 139.1 | -179.6 | -62.2 | 176.8 | 0 | 0 | 0 | 110.2 | W612 M613 C616 K622 | W612-L618 HydrophobicContact CE3-CD1 4.33Å; W612-L618 HydrophobicContact CH2-CD1 3.41Å; W612-L618 VanDerWaalsContact CH2-CD1 3.41Å; W612-L618 HydrophobicContact CZ2-CD1 4.09Å; W612-L618 HydrophobicContact CZ3-CD1 3.54Å; M613-L618 HydrophobicContact CE-CB 3.66Å; M613-L618 WeakPolarHBondContact CE-O 3.4Å; M613-L618 PolarHBondContact O-N 3.18Å; M613-L618 HydrophobicContact SD-CB 3.54Å; M613-L618 VanDerWaalsContact SD-CB 3.54Å; M613-L618 HydrophobicContact SD-CD1 4.02Å; M613-L618 HydrophobicContact SD-CG 4.41Å; C616-L618 VanDerWaalsContact C-N 3.26Å; C616-L618 HydrophobicContact CB-CD1 3.8Å; C616-L618 HydrophobicContact CB-CD2 4.48Å; C616-L618 HydrophobicContact CB-CG 3.67Å; C616-L618 PolarHBondContact O-N 3.33Å; L618-K622 HydrophobicContact CD2-CB 3.94Å; L618-K622 HydrophobicContact CD2-CD 4.29Å | ||
| 619 | D | 87.5 | Confident | 82.5 | Confident | 61 Ų | 61 | 48.4 Ų | 48.4 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | trans | -100.9 | 174.7 | 164.1 | 52.9 | 49.4 | 0 | 0 | 0 | 109.4 | G621 K622 L623 | D619-G621 VanDerWaalsContact C-N 3.28Å; D619-G621 PolarHBondContact O-N 2.88Å; D619-G621 PolarHBondContact OD1-N 3.5Å; D619-K622 PolarHBondContact O-N 3.09Å; D619-K622 WeakPolarHBondContact OD1-CB 3.34Å; D619-K622 VanDerWaalsContact OD1-CG 3.27Å; D619-K622 WeakPolarHBondContact OD1-CG 3.11Å; D619-K622 PolarHBondContact OD1-N 2.68Å; D619-K622 WeakPolarHBondContact OD2-CD 3.16Å; D619-K622 WeakPolarHBondContact OD2-CE 3.45Å; D619-K622 IonicContact OD2-NZ 2.83Å; D619-K622 PolarHBondContact OD2-NZ 3.33Å; D619-L623 WeakPolarHBondContact O-CB 3.28Å; D619-L623 PolarHBondContact O-N 2.94Å | ||
| 620 | A | 87.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.7 | -36.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I472 V586 L624 | I472-A620 HydrophobicContact CD1-CB 4.34Å; I472-A620 HydrophobicContact CG1-CB 4.13Å; V586-A620 HydrophobicContact CB-CB 4.39Å; V586-A620 HydrophobicContact CG2-CB 3.86Å; A620-L624 WeakPolarHBondContact O-CG 3.24Å; A620-L624 PolarHBondContact O-N 3.07Å |
| 621 | G | 87.1 | Confident | 82.1 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -48.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | D619 L623 L624 G625 | D619-G621 VanDerWaalsContact C-N 3.28Å; D619-G621 PolarHBondContact O-N 2.88Å; D619-G621 PolarHBondContact OD1-N 3.5Å; G621-L623 VanDerWaalsContact C-N 3.34Å; G621-L623 PolarHBondContact O-N 2.75Å; G621-L624 PolarHBondContact O-N 2.93Å; G621-G625 PolarHBondContact O-N 3.42Å |
| 622 | K | 88 | Confident | 81.9 | Confident | 105 Ų | 105 | 44 Ų | 44 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.8 | -41 | 176 | -71.3 | 170.8 | -171 | 139.1 | 0 | 111.7 | L618 D619 G625 H626 | L618-K622 HydrophobicContact CD2-CB 3.94Å; L618-K622 HydrophobicContact CD2-CD 4.29Å; D619-K622 PolarHBondContact O-N 3.09Å; D619-K622 WeakPolarHBondContact OD1-CB 3.34Å; D619-K622 VanDerWaalsContact OD1-CG 3.27Å; D619-K622 WeakPolarHBondContact OD1-CG 3.11Å; D619-K622 PolarHBondContact OD1-N 2.68Å; D619-K622 WeakPolarHBondContact OD2-CD 3.16Å; D619-K622 WeakPolarHBondContact OD2-CE 3.45Å; D619-K622 IonicContact OD2-NZ 2.83Å; D619-K622 PolarHBondContact OD2-NZ 3.33Å; K622-G625 WeakPolarHBondContact O-CA 3.32Å; K622-G625 PolarHBondContact O-N 3.08Å; K622-H626 PolarHBondContact O-CD2 3.31Å; K622-H626 VanDerWaalsContact O-CD2 3.23Å; K622-H626 PolarHBondContact O-N 3.19Å |
| 623 | L | 89.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.5 | -51.5 | 175.3 | 172.5 | 66.3 | 0 | 0 | 0 | 111.3 | I472 V588 I602 F609 W612 M613 D619 G621 G625 H626 I627 | I472-L623 HydrophobicContact CD1-CD2 4.18Å; V588-L623 HydrophobicContact CG2-CD2 4.21Å; I602-L623 HydrophobicContact CD1-CD1 4.21Å; F609-L623 HydrophobicContact CE2-CD1 3.95Å; F609-L623 HydrophobicContact CE2-CD2 4.16Å; F609-L623 HydrophobicContact CZ-CD1 4.28Å; F609-L623 HydrophobicContact CZ-CD2 3.62Å; W612-L623 HydrophobicContact CZ3-CD1 4.16Å; M613-L623 HydrophobicContact CE-CB 4.25Å; M613-L623 HydrophobicContact CE-CD2 4.38Å; M613-L623 HydrophobicContact SD-CB 4.08Å; M613-L623 HydrophobicContact SD-CD1 3.91Å; M613-L623 HydrophobicContact SD-CD2 4.12Å; M613-L623 HydrophobicContact SD-CG 4.25Å; D619-L623 WeakPolarHBondContact O-CB 3.28Å; D619-L623 PolarHBondContact O-N 2.94Å; G621-L623 VanDerWaalsContact C-N 3.34Å; G621-L623 PolarHBondContact O-N 2.75Å; L623-G625 VanDerWaalsContact C-N 3.26Å; L623-G625 PolarHBondContact O-N 3.4Å; L623-H626 PolarHBondContact O-N 3.26Å; L623-H626 VanDerWaalsContact O-N 3.1Å; L623-I627 HydrophobicContact CD1-CD1 3.85Å; L623-I627 HydrophobicContact CD1-CG1 4.29Å; L623-I627 HydrophobicContact CD2-CD1 4.4Å; L623-I627 HydrophobicContact CG-CD1 3.73Å; L623-I627 WeakPolarHBondContact O-CG1 3.44Å; L623-I627 PolarHBondContact O-N 2.91Å |
| 624 | L | 88.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -38.3 | 177.2 | -70.9 | 171.3 | 0 | 0 | 0 | 111.5 | L462 F465 F468 V586 A620 G621 H626 I627 V628 | L462-L624 HydrophobicContact CD2-CB 4.06Å; L462-L624 HydrophobicContact CD2-CD1 4.43Å; F465-L624 HydrophobicContact CE2-CD1 4.07Å; F465-L624 HydrophobicContact CE2-CD2 4.26Å; F465-L624 HydrophobicContact CZ-CD2 4.42Å; F468-L624 HydrophobicContact CD1-CD1 3.99Å; F468-L624 HydrophobicContact CD2-CD1 3.82Å; F468-L624 HydrophobicContact CE1-CD1 3.77Å; F468-L624 HydrophobicContact CE2-CD1 3.59Å; F468-L624 HydrophobicContact CG-CD1 4.02Å; F468-L624 HydrophobicContact CZ-CD1 3.56Å; V586-L624 HydrophobicContact CG1-CD2 4.23Å; V586-L624 HydrophobicContact CG1-CG 4.44Å; V586-L624 HydrophobicContact CG2-CD1 3.98Å; A620-L624 WeakPolarHBondContact O-CG 3.24Å; A620-L624 PolarHBondContact O-N 3.07Å; G621-L624 PolarHBondContact O-N 2.93Å; L624-H626 VanDerWaalsContact C-N 3.33Å; L624-H626 PolarHBondContact O-N 3.04Å; L624-I627 PolarHBondContact O-N 3.41Å; L624-V628 VanDerWaalsContact O-CG2 3.3Å; L624-V628 WeakPolarHBondContact O-CG2 3.34Å; L624-V628 PolarHBondContact O-N 2.97Å; L624-V628 VanDerWaalsContact O-N 3.1Å |
| 625 | G | 84.9 | Confident | 81.2 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 38% | 0.381 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58 | -40.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G621 K622 L623 Q629 | G621-G625 PolarHBondContact O-N 3.42Å; K622-G625 WeakPolarHBondContact O-CA 3.32Å; K622-G625 PolarHBondContact O-N 3.08Å; L623-G625 VanDerWaalsContact C-N 3.26Å; L623-G625 PolarHBondContact O-N 3.4Å; G625-Q629 WeakPolarHBondContact O-CG 3.34Å |
| 626 | H | 84.6 | Confident | 80.9 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.4 | -39 | 175.6 | -78.5 | -69.9 | 0 | 0 | 0 | 113 | K622 L623 L624 V628 Q629 L638 | K622-H626 PolarHBondContact O-CD2 3.31Å; K622-H626 VanDerWaalsContact O-CD2 3.23Å; K622-H626 PolarHBondContact O-N 3.19Å; L623-H626 PolarHBondContact O-N 3.26Å; L623-H626 VanDerWaalsContact O-N 3.1Å; L624-H626 VanDerWaalsContact C-N 3.33Å; L624-H626 PolarHBondContact O-N 3.04Å; H626-V628 VanDerWaalsContact C-N 3.32Å; H626-V628 PolarHBondContact O-N 3.44Å; H626-Q629 WeakPolarHBondContact O-CB 3.45Å; H626-Q629 PolarHBondContact O-N 3.47Å; H626-L638 HydrophobicContact CB-CD2 3.7Å |
| 627 | I | 87 | Confident | 80.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -37.4 | 179.7 | -73.4 | 165.6 | 0 | 0 | 0 | 111.8 | I602 L623 L624 Q629 R634 G640 N641 I645 | I602-I627 HydrophobicContact CD1-CD1 3.66Å; I602-I627 HydrophobicContact CD1-CG1 4Å; L623-I627 HydrophobicContact CD1-CD1 3.85Å; L623-I627 HydrophobicContact CD1-CG1 4.29Å; L623-I627 HydrophobicContact CD2-CD1 4.4Å; L623-I627 HydrophobicContact CG-CD1 3.73Å; L623-I627 WeakPolarHBondContact O-CG1 3.44Å; L623-I627 PolarHBondContact O-N 2.91Å; L624-I627 PolarHBondContact O-N 3.41Å; I627-Q629 PolarHBondContact O-N 3.49Å; I627-R634 VanDerWaalsContact O-CZ 3.22Å; I627-R634 PolarHBondContact O-NE 2.98Å; I627-R634 VanDerWaalsContact O-NE 3.07Å; I627-R634 PolarHBondContact O-NH2 3.45Å; I627-G640 WeakPolarHBondContact CG2-O 3.14Å; I627-N641 HydrophobicContact CD1-CB 3.97Å; I627-I645 HydrophobicContact CG2-CD1 4.06Å |
| 628 | V | 83 | Confident | 80.5 | Confident | 64 Ų | 64 | 34.9 Ų | 34.9 | 39% | 0.388 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -16.2 | -179.5 | 175 | 0 | 0 | 0 | 0 | 112.5 | F460 L624 H626 | F460-V628 HydrophobicContact CE2-CG2 3.74Å; F460-V628 HydrophobicContact CZ-CG2 4.06Å; L624-V628 VanDerWaalsContact O-CG2 3.3Å; L624-V628 WeakPolarHBondContact O-CG2 3.34Å; L624-V628 PolarHBondContact O-N 2.97Å; L624-V628 VanDerWaalsContact O-N 3.1Å; H626-V628 VanDerWaalsContact C-N 3.32Å; H626-V628 PolarHBondContact O-N 3.44Å |
| 629 | Q | 80.8 | Confident | 80.7 | Confident | 69 Ų | 69 | 33.5 Ų | 33.5 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -65.1 | 151.1 | 177.4 | -61.1 | -178.4 | 3.3 | 0 | 0 | 111.6 | G625 H626 I627 Y631 R633 R634 | G625-Q629 WeakPolarHBondContact O-CG 3.34Å; H626-Q629 WeakPolarHBondContact O-CB 3.45Å; H626-Q629 PolarHBondContact O-N 3.47Å; I627-Q629 PolarHBondContact O-N 3.49Å; Q629-Y631 PolarHBondContact O-N 2.96Å; Q629-R633 PolarHBondContact OE1-O 3.31Å; Q629-R634 HydrophobicContact CB-CG 4.29Å; Q629-R634 VanDerWaalsContact O-CZ 3.31Å; Q629-R634 PolarHBondContact O-NE 3.46Å; Q629-R634 PolarHBondContact O-NH2 2.94Å; Q629-R634 VanDerWaalsContact O-NH2 3.11Å |
| 630 | P | 76.4 | Confident | 80.7 | Confident | 34 Ų | 34 | 30.6 Ų | 30.6 | 22% | 0.221 | 17% | 0.171 | C | C | . | . | trans | -54.5 | 140.7 | 170.8 | -23.4 | 33.2 | 0 | 0 | 0 | 111.2 | M453 G632 R633 R634 | M453-P630 HydrophobicContact CB-CB 4.29Å; M453-P630 HydrophobicContact CB-CG 4.29Å; P630-G632 VanDerWaalsContact C-N 3.27Å; P630-G632 PolarHBondContact O-N 2.97Å; P630-G632 VanDerWaalsContact O-N 3.12Å; P630-R633 PolarHBondContact O-N 2.87Å; P630-R634 PolarHBondContact O-N 3.11Å | ||
| 631 | Y | 79.8 | Confident | 80.9 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -44.8 | -48.8 | -176 | -179.9 | -103.1 | 0 | 0 | 0 | 113.6 | V235 F241 L456 P598 Q629 R633 R634 | V235-Y631 HydrophobicContact CG2-CE1 3.78Å; F241-Y631 HydrophobicContact CZ-CD1 4.32Å; F241-Y631 HydrophobicContact CZ-CE1 4.11Å; L456-Y631 VanDerWaalsContact CD1-CB 3.41Å; L456-Y631 HydrophobicContact CD1-CD1 3.95Å; L456-Y631 HydrophobicContact CD1-CD2 4.02Å; L456-Y631 HydrophobicContact CD1-CG 3.52Å; L456-Y631 HydrophobicContact CG-CG 4.46Å; P598-Y631 HydrophobicContact CB-CD2 4.09Å; P598-Y631 HydrophobicContact CB-CE2 3.63Å; P598-Y631 HydrophobicContact CG-CE2 4.46Å; Q629-Y631 PolarHBondContact O-N 2.96Å; Y631-R633 PolarHBondContact O-N 3.07Å; Y631-R634 WeakPolarHBondContact O-CB 3.45Å; Y631-R634 PolarHBondContact O-N 3.24Å; Y631-R634 VanDerWaalsContact O-N 3.08Å |
| 632 | G | 70.4 | Confident | 81.2 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -64.6 | -8.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | P630 | P630-G632 VanDerWaalsContact C-N 3.27Å; P630-G632 PolarHBondContact O-N 2.97Å; P630-G632 VanDerWaalsContact O-N 3.12Å |
| 633 | R | 69.8 | Low | 81.5 | Confident | 92 Ų | 92 | 25.4 Ų | 25.4 | 35% | 0.347 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -107.5 | -8.7 | 174.8 | -69.8 | -167.6 | 176.7 | -174.9 | 1.6 | 113.6 | S449 Q629 P630 Y631 | S449-R633 PolarHBondContact O-NH2 3.38Å; Q629-R633 PolarHBondContact OE1-O 3.31Å; P630-R633 PolarHBondContact O-N 2.87Å; Y631-R633 PolarHBondContact O-N 3.07Å |
| 634 | R | 75.6 | Confident | 81.8 | Confident | 16 Ų | 16 | 25.4 Ų | 25.4 | 6% | 0.06 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -68.7 | 157.1 | 179.9 | -64.8 | -175.6 | -174 | 145.2 | 1 | 110.1 | Q233 E599 I627 Q629 P630 Y631 L638 | Q233-R634 PolarHBondContact NE2-O 2.92Å; E599-R634 IonicContact OE1-CZ 3.93Å; E599-R634 IonicContact OE1-NH1 2.74Å; E599-R634 PolarHBondContact OE1-NH1 3.16Å; E599-R634 IonicContact OE1-NH2 2.66Å; E599-R634 PolarHBondContact OE1-NH2 3.18Å; E599-R634 IonicContact OE2-CZ 2.78Å; E599-R634 IonicContact OE2-NH1 2.69Å; E599-R634 PolarHBondContact OE2-NH1 3.18Å; E599-R634 VanDerWaalsContact OE2-NH1 3.12Å; E599-R634 IonicContact OE2-NH2 3.91Å; E599-R634 PolarHBondContact OE2-NH2 3.08Å; I627-R634 VanDerWaalsContact O-CZ 3.22Å; I627-R634 PolarHBondContact O-NE 2.98Å; I627-R634 VanDerWaalsContact O-NE 3.07Å; I627-R634 PolarHBondContact O-NH2 3.45Å; Q629-R634 HydrophobicContact CB-CG 4.29Å; Q629-R634 VanDerWaalsContact O-CZ 3.31Å; Q629-R634 PolarHBondContact O-NE 3.46Å; Q629-R634 PolarHBondContact O-NH2 2.94Å; Q629-R634 VanDerWaalsContact O-NH2 3.11Å; P630-R634 PolarHBondContact O-N 3.11Å; Y631-R634 WeakPolarHBondContact O-CB 3.45Å; Y631-R634 PolarHBondContact O-N 3.24Å; Y631-R634 VanDerWaalsContact O-N 3.08Å; R634-L638 HydrophobicContact CB-CB 4.19Å; R634-L638 HydrophobicContact CB-CD2 4.34Å; R634-L638 WeakPolarHBondContact CD-O 3.45Å |
| 635 | L | 72.4 | Confident | 82 | Confident | 68 Ų | 68 | 25.4 Ų | 25.4 | 36% | 0.356 | 14% | 0.139 | S | C | . | . | P | Polyproline II helix | trans | -54.8 | 149.2 | 168.8 | -68.8 | 169.5 | 0 | 0 | 0 | 109.2 | Q233 W612 F637 L638 | Q233-L635 PolarHBondContact NE2-O 3.47Å; W612-L635 HydrophobicContact CH2-CD1 4.13Å; W612-L635 HydrophobicContact CZ2-CB 4.12Å; W612-L635 HydrophobicContact CZ2-CD1 3.47Å; W612-L635 VanDerWaalsContact CZ2-CD1 3.47Å; W612-L635 HydrophobicContact CZ2-CG 4.42Å; L635-F637 PolarHBondContact O-N 3.21Å; L635-L638 HydrophobicContact CB-CB 4.36Å; L635-L638 WeakPolarHBondContact O-CB 3.4Å; L635-L638 PolarHBondContact O-N 2.89Å |
| 636 | A | 66.6 | Low | 82.5 | Confident | 25 Ų | 25 | 23.8 Ų | 23.8 | 21% | 0.207 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 132.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | E232 Q233 L638 V702 | E232-A636 HydrophobicContact CB-CB 4.33Å; Q233-A636 HydrophobicContact CG-CB 4.02Å; A636-L638 PolarHBondContact O-N 3.07Å; A636-V702 HydrophobicContact CB-CG1 4.33Å |
| 637 | F | 68 | Low | 83 | Confident | 22 Ų | 22 | 21.4 Ų | 21.4 | 10% | 0.096 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | -4.9 | 178.6 | -56.1 | -61.3 | 0 | 0 | 0 | 118.5 | L635 G639 W696 V702 | L635-F637 PolarHBondContact O-N 3.21Å; F637-G639 PolarHBondContact O-N 3.01Å; F637-W696 HydrophobicContact CB-CH2 3.22Å; F637-W696 HydrophobicContact CB-CZ3 3.18Å; F637-W696 HydrophobicContact CD1-CE3 4.49Å; F637-W696 AromaticContact CD1-CH2 3.01Å; F637-W696 HydrophobicContact CD1-CH2 3.01Å; F637-W696 AromaticContact CD1-CZ2 3.83Å; F637-W696 HydrophobicContact CD1-CZ2 3.83Å; F637-W696 AromaticContact CD1-CZ3 3.41Å; F637-W696 HydrophobicContact CD1-CZ3 3.41Å; F637-W696 VanDerWaalsContact CD1-CZ3 3.41Å; F637-W696 HydrophobicContact CD2-CH2 4.35Å; F637-W696 AromaticContact CD2-CZ3 3.91Å; F637-W696 HydrophobicContact CD2-CZ3 3.91Å; F637-W696 AromaticContact CE1-CH2 3.97Å; F637-W696 HydrophobicContact CE1-CH2 3.97Å; F637-W696 HydrophobicContact CE1-CZ2 4.49Å; F637-W696 HydrophobicContact CE1-CZ3 4.24Å; F637-W696 HydrophobicContact CG-CE3 4.35Å; F637-W696 AromaticContact CG-CH2 3.24Å; F637-W696 HydrophobicContact CG-CH2 3.24Å; F637-W696 HydrophobicContact CG-CZ2 4.41Å; F637-W696 AromaticContact CG-CZ3 3.17Å; F637-W696 HydrophobicContact CG-CZ3 3.17Å; F637-V702 HydrophobicContact CD2-CG2 4.46Å; F637-V702 HydrophobicContact CE2-CB 4.42Å; F637-V702 HydrophobicContact CE2-CG2 3.57Å; F637-V702 HydrophobicContact CZ-CG2 4.38Å |
| 638 | L | 79.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | -74.8 | 114.4 | 178.3 | -176.8 | 69.1 | 0 | 0 | 0 | 110.7 | I602 M604 W612 H626 R634 L635 A636 | I602-L638 HydrophobicContact CD1-CD1 3.64Å; I602-L638 HydrophobicContact CG1-CD1 4.15Å; M604-L638 HydrophobicContact CE-CB 4.5Å; M604-L638 HydrophobicContact CE-CD1 4.26Å; W612-L638 HydrophobicContact CH2-CD1 3.87Å; W612-L638 HydrophobicContact CH2-CD2 4.18Å; W612-L638 HydrophobicContact CZ3-CD1 4.21Å; H626-L638 HydrophobicContact CB-CD2 3.7Å; R634-L638 HydrophobicContact CB-CB 4.19Å; R634-L638 HydrophobicContact CB-CD2 4.34Å; R634-L638 WeakPolarHBondContact CD-O 3.45Å; L635-L638 HydrophobicContact CB-CB 4.36Å; L635-L638 WeakPolarHBondContact O-CB 3.4Å; L635-L638 PolarHBondContact O-N 2.89Å; A636-L638 PolarHBondContact O-N 3.07Å | ||
| 639 | G | 86.6 | Confident | 84 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -82.5 | -172.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P598 A601 I602 F637 | P598-G639 VanDerWaalsContact O-CA 3.25Å; P598-G639 WeakPolarHBondContact O-CA 3.24Å; A601-G639 CarbonylContact O-C 3.44Å; A601-G639 WeakPolarHBondContact O-CA 3.33Å; I602-G639 PolarHBondContact O-N 3.18Å; F637-G639 PolarHBondContact O-N 3.01Å | ||
| 640 | G | 88.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -92.8 | -10.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | P598 E599 A601 I627 R642 | P598-G640 PolarHBondContact O-N 3.02Å; P598-G640 VanDerWaalsContact O-N 3.1Å; E599-G640 CarbonylContact O-C 3.56Å; E599-G640 WeakPolarHBondContact O-CA 3.14Å; E599-G640 WeakPolarHBondContact OE2-CA 3.37Å; A601-G640 PolarHBondContact O-N 3.3Å; A601-G640 VanDerWaalsContact O-N 3.15Å; I627-G640 WeakPolarHBondContact CG2-O 3.14Å; G640-R642 PolarHBondContact O-N 3.05Å | ||
| 641 | N | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | 46.1 | 30.3 | -177 | -171.7 | 37.6 | 0 | 0 | 0 | 114.7 | L587 V588 Y589 E599 L600 A601 I602 I627 L643 G644 I645 | L587-N641 PolarHBondContact O-ND2 2.61Å; V588-N641 WeakPolarHBondContact CA-OD1 3.3Å; Y589-N641 PolarHBondContact N-OD1 3.4Å; E599-N641 PolarHBondContact O-N 3Å; L600-N641 CarbonylContact O-C 3.51Å; A601-N641 PolarHBondContact O-N 3.38Å; I602-N641 HydrophobicContact CD1-CB 4.01Å; I627-N641 HydrophobicContact CD1-CB 3.97Å; N641-L643 PolarHBondContact O-N 3.19Å; N641-L643 VanDerWaalsContact O-N 3.16Å; N641-G644 PolarHBondContact O-N 3.43Å; N641-G644 VanDerWaalsContact O-N 3.11Å; N641-I645 WeakPolarHBondContact O-CG1 3.21Å; N641-I645 PolarHBondContact O-N 3.28Å; N641-I645 VanDerWaalsContact O-N 3.13Å | ||
| 642 | R | 93.1 | Very high | 86.1 | Confident | 27 Ų | 27 | 17.9 Ų | 17.9 | 10% | 0.102 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.2 | -28.5 | -172.3 | -173.4 | 60.2 | -177.4 | 147.6 | 9.9 | 111.8 | I457 F558 E599 L600 G640 I645 L646 E649 | I457-R642 HydrophobicContact CD1-CG 4.26Å; F558-R642 HydrophobicContact CD1-CB 4.24Å; F558-R642 HydrophobicContact CD1-CG 3.46Å; F558-R642 VanDerWaalsContact CD1-CG 3.46Å; F558-R642 HydrophobicContact CE1-CB 3.79Å; F558-R642 HydrophobicContact CE1-CG 3.51Å; F558-R642 HydrophobicContact CG-CG 4.24Å; F558-R642 HydrophobicContact CZ-CG 4.34Å; E599-R642 WeakPolarHBondContact O-CB 3.44Å; E599-R642 PolarHBondContact O-N 2.94Å; L600-R642 PolarHBondContact O-N 3.41Å; L600-R642 VanDerWaalsContact O-N 3.12Å; G640-R642 PolarHBondContact O-N 3.05Å; R642-I645 PolarHBondContact O-N 2.77Å; R642-L646 HydrophobicContact CG-CD1 4.27Å; R642-L646 HydrophobicContact CG-CG 4.29Å; R642-L646 WeakPolarHBondContact O-CB 3.3Å; R642-L646 VanDerWaalsContact O-CG 3.25Å; R642-L646 WeakPolarHBondContact O-CG 3.45Å; R642-L646 PolarHBondContact O-N 3.04Å; R642-E649 IonicContact CZ-OE1 3.14Å; R642-E649 VanDerWaalsContact CZ-OE1 3.32Å; R642-E649 IonicContact NH1-OE1 3.34Å; R642-E649 PolarHBondContact NH1-OE1 3.16Å; R642-E649 IonicContact NH2-OE1 3.89Å; R642-E649 PolarHBondContact NH2-OE1 3.19Å; R642-E649 IonicContact NH2-OE2 2.7Å |
| 643 | L | 94.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.8 | -49.7 | 174.2 | -178.7 | 57.4 | 0 | 0 | 0 | 111.6 | F475 P483 L561 Y589 L600 N641 I645 L646 L647 | F475-L643 HydrophobicContact CE2-CD2 3.9Å; F475-L643 HydrophobicContact CE2-CG 4.27Å; F475-L643 HydrophobicContact CZ-CD2 4.24Å; F475-L643 HydrophobicContact CZ-CG 4.13Å; P483-L643 HydrophobicContact CG-CD1 4.43Å; L561-L643 HydrophobicContact CD2-CD1 4.38Å; Y589-L643 HydrophobicContact CD1-CB 3.97Å; Y589-L643 HydrophobicContact CD1-CD2 3.72Å; Y589-L643 HydrophobicContact CD1-CG 4.44Å; Y589-L643 HydrophobicContact CD2-CD2 4.21Å; Y589-L643 HydrophobicContact CE1-CD2 4.09Å; Y589-L643 HydrophobicContact CG-CB 4.31Å; Y589-L643 HydrophobicContact CG-CD2 3.83Å; L600-L643 HydrophobicContact CD1-CB 3.77Å; L600-L643 HydrophobicContact CG-CB 4.21Å; L600-L643 PolarHBondContact O-N 3.49Å; L600-L643 VanDerWaalsContact O-N 3.09Å; N641-L643 PolarHBondContact O-N 3.19Å; N641-L643 VanDerWaalsContact O-N 3.16Å; L643-I645 VanDerWaalsContact C-N 3.27Å; L643-I645 PolarHBondContact O-N 3.18Å; L643-L646 PolarHBondContact O-N 3.21Å; L643-L647 HydrophobicContact CD1-CD1 4.47Å; L643-L647 HydrophobicContact CD1-CG 4.38Å; L643-L647 HydrophobicContact CG-CD1 4.37Å; L643-L647 VanDerWaalsContact O-CG 3.3Å; L643-L647 WeakPolarHBondContact O-CG 3.26Å; L643-L647 PolarHBondContact O-N 2.99Å |
| 644 | G | 94.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.1 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L587 N641 L647 M648 | L587-G644 WeakPolarHBondContact O-CA 3.49Å; N641-G644 PolarHBondContact O-N 3.43Å; N641-G644 VanDerWaalsContact O-N 3.11Å; G644-L647 PolarHBondContact O-N 2.86Å; G644-M648 WeakPolarHBondContact O-CG 3.47Å; G644-M648 PolarHBondContact O-N 3.4Å |
| 645 | I | 94.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 178.7 | -60 | 173.2 | 0 | 0 | 0 | 112.2 | F460 F465 I627 N641 R642 L643 L647 M648 E649 | F460-I645 HydrophobicContact CD2-CD1 4.44Å; F460-I645 HydrophobicContact CD2-CG2 4.18Å; F460-I645 HydrophobicContact CE1-CD1 4.25Å; F460-I645 HydrophobicContact CE2-CD1 3.45Å; F460-I645 VanDerWaalsContact CE2-CD1 3.45Å; F460-I645 HydrophobicContact CE2-CG2 4.16Å; F460-I645 HydrophobicContact CZ-CD1 3.32Å; F465-I645 HydrophobicContact CD1-CG2 3.53Å; F465-I645 HydrophobicContact CE1-CG2 3.55Å; F465-I645 HydrophobicContact CG-CG2 4.19Å; F465-I645 HydrophobicContact CZ-CG2 4.23Å; I627-I645 HydrophobicContact CG2-CD1 4.06Å; N641-I645 WeakPolarHBondContact O-CG1 3.21Å; N641-I645 PolarHBondContact O-N 3.28Å; N641-I645 VanDerWaalsContact O-N 3.13Å; R642-I645 PolarHBondContact O-N 2.77Å; L643-I645 VanDerWaalsContact C-N 3.27Å; L643-I645 PolarHBondContact O-N 3.18Å; I645-L647 VanDerWaalsContact C-N 3.26Å; I645-L647 PolarHBondContact O-N 3.02Å; I645-M648 HydrophobicContact CB-CE 4.19Å; I645-M648 HydrophobicContact CG1-CE 3.78Å; I645-M648 PolarHBondContact O-N 3.24Å; I645-M648 VanDerWaalsContact O-N 3.13Å; I645-E649 WeakPolarHBondContact O-CG 3.39Å; I645-E649 PolarHBondContact O-N 3.14Å |
| 646 | L | 95 | Very high | 90 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.5 | -38.3 | 175.3 | -77.8 | 175.5 | 0 | 0 | 0 | 112.2 | F558 L561 K562 R642 L643 E649 L650 | F558-L646 HydrophobicContact CD1-CD1 4.19Å; L561-L646 HydrophobicContact CB-CD1 4.5Å; L561-L646 HydrophobicContact CD2-CD1 3.92Å; L561-L646 HydrophobicContact CG-CD1 4.18Å; K562-L646 HydrophobicContact CB-CD2 3.83Å; K562-L646 HydrophobicContact CD-CD2 3.83Å; K562-L646 HydrophobicContact CG-CD2 3.95Å; R642-L646 HydrophobicContact CG-CD1 4.27Å; R642-L646 HydrophobicContact CG-CG 4.29Å; R642-L646 WeakPolarHBondContact O-CB 3.3Å; R642-L646 VanDerWaalsContact O-CG 3.25Å; R642-L646 WeakPolarHBondContact O-CG 3.45Å; R642-L646 PolarHBondContact O-N 3.04Å; L643-L646 PolarHBondContact O-N 3.21Å; L646-E649 PolarHBondContact O-N 2.88Å; L646-L650 WeakPolarHBondContact O-CG 3.41Å; L646-L650 PolarHBondContact O-N 3.18Å |
| 647 | L | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 175.8 | -66.8 | 175.5 | 0 | 0 | 0 | 111.9 | F475 F481 F569 L579 L587 L643 G644 I645 L650 R651 | F475-L647 HydrophobicContact CE1-CD1 4.2Å; F475-L647 HydrophobicContact CE2-CD1 4.13Å; F475-L647 HydrophobicContact CZ-CD1 3.61Å; F481-L647 HydrophobicContact CB-CD1 3.89Å; F569-L647 HydrophobicContact CE2-CD2 3.43Å; F569-L647 VanDerWaalsContact CE2-CD2 3.43Å; F569-L647 HydrophobicContact CZ-CD2 3.76Å; L579-L647 HydrophobicContact CD1-CB 4.14Å; L587-L647 HydrophobicContact CD1-CB 3.78Å; L643-L647 HydrophobicContact CD1-CD1 4.47Å; L643-L647 HydrophobicContact CD1-CG 4.38Å; L643-L647 HydrophobicContact CG-CD1 4.37Å; L643-L647 VanDerWaalsContact O-CG 3.3Å; L643-L647 WeakPolarHBondContact O-CG 3.26Å; L643-L647 PolarHBondContact O-N 2.99Å; G644-L647 PolarHBondContact O-N 2.86Å; I645-L647 VanDerWaalsContact C-N 3.26Å; I645-L647 PolarHBondContact O-N 3.02Å; L647-L650 PolarHBondContact O-N 2.91Å; L647-R651 VanDerWaalsContact O-CB 3.26Å; L647-R651 WeakPolarHBondContact O-CB 3.26Å; L647-R651 PolarHBondContact O-N 2.93Å |
| 648 | M | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 173.7 | -65.4 | -174.8 | -70.2 | 0 | 0 | 112.2 | F465 V586 L587 G644 I645 R651 R652 | F465-M648 HydrophobicContact CB-CB 3.84Å; F465-M648 HydrophobicContact CD2-CE 4.05Å; F465-M648 HydrophobicContact CD2-SD 4.47Å; F465-M648 HydrophobicContact CE2-CE 4.24Å; F465-M648 HydrophobicContact CG-CB 4.49Å; V586-M648 HydrophobicContact CG1-CE 4.45Å; V586-M648 HydrophobicContact CG1-SD 4.45Å; L587-M648 HydrophobicContact CB-CG 4.07Å; L587-M648 HydrophobicContact CB-SD 4.44Å; L587-M648 HydrophobicContact CD1-CG 3.95Å; L587-M648 HydrophobicContact CG-CG 3.79Å; L587-M648 HydrophobicContact CG-SD 4.47Å; L587-M648 PolarHBondContact N-SD 3.01Å; G644-M648 WeakPolarHBondContact O-CG 3.47Å; G644-M648 PolarHBondContact O-N 3.4Å; I645-M648 HydrophobicContact CB-CE 4.19Å; I645-M648 HydrophobicContact CG1-CE 3.78Å; I645-M648 PolarHBondContact O-N 3.24Å; I645-M648 VanDerWaalsContact O-N 3.13Å; M648-R651 WeakPolarHBondContact O-CB 3.45Å; M648-R651 PolarHBondContact O-N 3.16Å; M648-R652 PolarHBondContact O-N 3.5Å |
| 649 | E | 94.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 172.3 | -69.4 | 175.3 | -165.1 | 0 | 0 | 110.9 | F465 K562 R642 I645 L646 R652 E653 | F465-E649 HydrophobicContact CB-CG 4.02Å; F465-E649 HydrophobicContact CD1-CG 4.43Å; K562-E649 WeakPolarHBondContact CE-OE2 3.5Å; K562-E649 IonicContact NZ-OE2 3.86Å; K562-E649 PolarHBondContact NZ-OE2 2.92Å; R642-E649 IonicContact CZ-OE1 3.14Å; R642-E649 VanDerWaalsContact CZ-OE1 3.32Å; R642-E649 IonicContact NH1-OE1 3.34Å; R642-E649 PolarHBondContact NH1-OE1 3.16Å; R642-E649 IonicContact NH2-OE1 3.89Å; R642-E649 PolarHBondContact NH2-OE1 3.19Å; R642-E649 IonicContact NH2-OE2 2.7Å; I645-E649 WeakPolarHBondContact O-CG 3.39Å; I645-E649 PolarHBondContact O-N 3.14Å; L646-E649 PolarHBondContact O-N 2.88Å; E649-R652 WeakPolarHBondContact O-CB 3.38Å; E649-R652 PolarHBondContact O-N 3.02Å; E649-E653 WeakPolarHBondContact O-CG 3.36Å; E649-E653 PolarHBondContact O-N 3.28Å |
| 650 | L | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 178.4 | -71.4 | 175.7 | 0 | 0 | 0 | 112.4 | K562 C565 R566 F569 L646 L647 R652 E653 F654 | K562-L650 HydrophobicContact CG-CD2 4.04Å; K562-L650 HydrophobicContact CG-CG 4.31Å; C565-L650 HydrophobicContact CB-CD1 3.58Å; R566-L650 HydrophobicContact CB-CD2 3.73Å; R566-L650 HydrophobicContact CG-CD2 4.07Å; F569-L650 HydrophobicContact CD2-CD1 4.45Å; L646-L650 WeakPolarHBondContact O-CG 3.41Å; L646-L650 PolarHBondContact O-N 3.18Å; L647-L650 PolarHBondContact O-N 2.91Å; L650-R652 VanDerWaalsContact C-N 3.26Å; L650-R652 PolarHBondContact O-N 3.39Å; L650-E653 PolarHBondContact O-N 3.21Å; L650-F654 HydrophobicContact CB-CD2 4.44Å; L650-F654 HydrophobicContact CB-CE2 3.98Å; L650-F654 WeakPolarHBondContact O-CD2 3.12Å; L650-F654 VanDerWaalsContact O-CG 3.32Å; L650-F654 WeakPolarHBondContact O-CG 3.26Å; L650-F654 PolarHBondContact O-N 3.34Å |
| 651 | R | 93.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54 | -45.3 | 174.6 | 179.9 | 178.6 | 70.5 | -169.5 | 3 | 111 | L579 L580 T582 G583 S585 L647 M648 R655 | L579-R651 HydrophobicContact CD1-CB 4.45Å; L579-R651 HydrophobicContact CD2-CB 4.28Å; L579-R651 HydrophobicContact CG-CB 4.13Å; L579-R651 HydrophobicContact CG-CG 4.5Å; L580-R651 HydrophobicContact CD2-CG 4.27Å; T582-R651 WeakPolarHBondContact OG1-CD 3.4Å; T582-R651 PolarHBondContact OG1-NH1 2.87Å; G583-R651 WeakPolarHBondContact O-CD 3.46Å; G583-R651 PolarHBondContact O-NE 3.02Å; G583-R651 VanDerWaalsContact O-NE 3.08Å; G583-R651 PolarHBondContact O-NH1 3.27Å; S585-R651 PolarHBondContact O-NH1 2.95Å; S585-R651 PolarHBondContact O-NH2 2.75Å; L647-R651 VanDerWaalsContact O-CB 3.26Å; L647-R651 WeakPolarHBondContact O-CB 3.26Å; L647-R651 PolarHBondContact O-N 2.93Å; M648-R651 WeakPolarHBondContact O-CB 3.45Å; M648-R651 PolarHBondContact O-N 3.16Å; R651-R655 WeakPolarHBondContact O-CG 3.48Å; R651-R655 PolarHBondContact O-N 3.49Å |
| 652 | R | 92.3 | Very high | 90.9 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 35% | 0.351 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66 | -46.9 | 176.7 | -174.6 | -173.1 | 179.6 | -156.9 | 8.3 | 112 | D463 S464 A466 M648 E649 L650 F654 R655 L656 | D463-R652 PolarHBondContact O-NH1 2.79Å; S464-R652 VanDerWaalsContact C-NH1 3.3Å; S464-R652 WeakPolarHBondContact O-CD 3.27Å; S464-R652 PolarHBondContact O-NH1 3.23Å; A466-R652 VanDerWaalsContact O-CD 3.28Å; A466-R652 WeakPolarHBondContact O-CD 3.33Å; A466-R652 PolarHBondContact O-NE 2.84Å; A466-R652 VanDerWaalsContact O-NE 3.11Å; M648-R652 PolarHBondContact O-N 3.5Å; E649-R652 WeakPolarHBondContact O-CB 3.38Å; E649-R652 PolarHBondContact O-N 3.02Å; L650-R652 VanDerWaalsContact C-N 3.26Å; L650-R652 PolarHBondContact O-N 3.39Å; R652-F654 VanDerWaalsContact C-N 3.32Å; R652-F654 PolarHBondContact O-N 3.45Å; R652-R655 PolarHBondContact O-N 3.3Å; R652-L656 HydrophobicContact CG-CD1 4.21Å; R652-L656 WeakPolarHBondContact O-CG 3.22Å; R652-L656 PolarHBondContact O-N 2.7Å |
| 653 | E | 93.9 | Very high | 90.1 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.4 | -47 | 176.9 | -73 | 172.5 | -158.6 | 0 | 0 | 111.5 | K562 R566 E649 L650 R655 L656 E657 | K562-E653 WeakPolarHBondContact CE-OE1 3.49Å; K562-E653 IonicContact NZ-OE1 3.07Å; K562-E653 PolarHBondContact NZ-OE1 2.84Å; R566-E653 IonicContact NH1-OE2 2.9Å; R566-E653 PolarHBondContact NH1-OE2 3.46Å; E649-E653 WeakPolarHBondContact O-CG 3.36Å; E649-E653 PolarHBondContact O-N 3.28Å; L650-E653 PolarHBondContact O-N 3.21Å; E653-R655 VanDerWaalsContact C-N 3.33Å; E653-R655 PolarHBondContact O-N 2.84Å; E653-L656 PolarHBondContact O-N 2.9Å; E653-E657 WeakPolarHBondContact O-CG 3.44Å; E653-E657 PolarHBondContact O-N 3.23Å |
| 654 | F | 94.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -38 | 179.3 | -66 | -45.3 | 0 | 0 | 0 | 113 | R566 F569 M576 L579 L580 L650 R652 E657 G658 N659 | R566-F654 HydrophobicContact CG-CE1 4.18Å; R566-F654 HydrophobicContact CG-CZ 4.13Å; F569-F654 HydrophobicContact CB-CE2 3.61Å; F569-F654 HydrophobicContact CB-CZ 3.7Å; F569-F654 HydrophobicContact CD2-CE2 4.39Å; F569-F654 HydrophobicContact CG-CE2 4.21Å; M576-F654 HydrophobicContact CG-CD2 4.21Å; M576-F654 HydrophobicContact CG-CG 4.45Å; M576-F654 HydrophobicContact SD-CD1 4.01Å; M576-F654 HydrophobicContact SD-CD2 4.27Å; M576-F654 HydrophobicContact SD-CE1 4.26Å; M576-F654 HydrophobicContact SD-CG 4.03Å; M576-F654 HydrophobicContact SD-CZ 4.5Å; L579-F654 HydrophobicContact CD2-CD2 4.45Å; L579-F654 HydrophobicContact CD2-CE2 4.34Å; L580-F654 HydrophobicContact CD2-CB 4.26Å; L650-F654 HydrophobicContact CB-CD2 4.44Å; L650-F654 HydrophobicContact CB-CE2 3.98Å; L650-F654 WeakPolarHBondContact O-CD2 3.12Å; L650-F654 VanDerWaalsContact O-CG 3.32Å; L650-F654 WeakPolarHBondContact O-CG 3.26Å; L650-F654 PolarHBondContact O-N 3.34Å; R652-F654 VanDerWaalsContact C-N 3.32Å; R652-F654 PolarHBondContact O-N 3.45Å; F654-E657 PolarHBondContact O-N 2.73Å; F654-G658 PolarHBondContact O-N 2.82Å; F654-N659 HydrophobicContact CB-CB 4.31Å; F654-N659 VanDerWaalsContact O-CB 3.26Å; F654-N659 WeakPolarHBondContact O-CB 3.48Å; F654-N659 PolarHBondContact O-N 2.92Å; F654-N659 PolarHBondContact O-ND2 3.01Å |
| 655 | R | 91.4 | Very high | 88.1 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 174.6 | -70.7 | 177.3 | -173.6 | 156.6 | 1.4 | 112 | L580 G583 D584 R651 R652 E653 E657 G658 | L580-R655 HydrophobicContact CD2-CG 3.72Å; L580-R655 PolarHBondContact O-NH2 2.68Å; G583-R655 PolarHBondContact O-NH2 3.16Å; D584-R655 IonicContact OD1-CZ 3.06Å; D584-R655 IonicContact OD1-NH1 3.41Å; D584-R655 PolarHBondContact OD1-NH1 2.76Å; D584-R655 IonicContact OD1-NH2 3.73Å; R651-R655 WeakPolarHBondContact O-CG 3.48Å; R651-R655 PolarHBondContact O-N 3.49Å; R652-R655 PolarHBondContact O-N 3.3Å; E653-R655 VanDerWaalsContact C-N 3.33Å; E653-R655 PolarHBondContact O-N 2.84Å; R655-E657 PolarHBondContact O-N 3.16Å; R655-G658 PolarHBondContact O-N 3.17Å |
| 656 | L | 89.3 | Confident | 86.4 | Confident | 137 Ų | 137 | 55.1 Ų | 55.1 | 72% | 0.717 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.4 | -29 | 177.6 | -68.7 | 174.5 | 0 | 0 | 0 | 112.2 | R652 E653 G658 | R652-L656 HydrophobicContact CG-CD1 4.21Å; R652-L656 WeakPolarHBondContact O-CG 3.22Å; R652-L656 PolarHBondContact O-N 2.7Å; E653-L656 PolarHBondContact O-N 2.9Å; L656-G658 PolarHBondContact O-N 3.24Å |
| 657 | E | 91.8 | Very high | 84.6 | Confident | 104 Ų | 104 | 56 Ų | 56 | 49% | 0.486 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0 | 173 | -70.9 | 166.1 | -156 | 0 | 0 | 113.7 | R566 E653 F654 R655 | R566-E657 IonicContact CZ-OE1 3.68Å; R566-E657 IonicContact CZ-OE2 3.67Å; R566-E657 IonicContact NH1-OE1 2.85Å; R566-E657 PolarHBondContact NH1-OE1 2.85Å; R566-E657 IonicContact NH1-OE2 3.09Å; R566-E657 IonicContact NH2-OE1 3.9Å; R566-E657 PolarHBondContact NH2-OE1 2.94Å; R566-E657 IonicContact NH2-OE2 2.68Å; R566-E657 PolarHBondContact NH2-OE2 3.45Å; E653-E657 WeakPolarHBondContact O-CG 3.44Å; E653-E657 PolarHBondContact O-N 3.23Å; F654-E657 PolarHBondContact O-N 2.73Å; R655-E657 PolarHBondContact O-N 3.16Å |
| 658 | G | 86.5 | Confident | 82.7 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 11.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | F654 R655 L656 S660 | F654-G658 PolarHBondContact O-N 2.82Å; R655-G658 PolarHBondContact O-N 3.17Å; L656-G658 PolarHBondContact O-N 3.24Å; G658-S660 PolarHBondContact O-N 3.38Å; G658-S660 VanDerWaalsContact O-N 3.14Å |
| 659 | N | 85.2 | Confident | 80.5 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | trans | -73.4 | 105.8 | 172.9 | -61.5 | -79.7 | 0 | 0 | 0 | 109.7 | M576 L580 F654 | M576-N659 HydrophobicContact CE-CB 4.36Å; L580-N659 HydrophobicContact CD1-CB 4.19Å; F654-N659 HydrophobicContact CB-CB 4.31Å; F654-N659 VanDerWaalsContact O-CB 3.26Å; F654-N659 WeakPolarHBondContact O-CB 3.48Å; F654-N659 PolarHBondContact O-N 2.92Å; F654-N659 PolarHBondContact O-ND2 3.01Å | ||
| 660 | S | 80.5 | Confident | 78.2 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | trans | -95.6 | 148.7 | 170.3 | 179 | 0 | 0 | 0 | 0 | 110.6 | G658 E662 N663 | G658-S660 PolarHBondContact O-N 3.38Å; G658-S660 VanDerWaalsContact O-N 3.14Å; S660-E662 PolarHBondContact O-N 3.46Å; S660-E662 PolarHBondContact OG-N 2.82Å; S660-N663 PolarHBondContact O-N 3.14Å | ||
| 661 | I | 79 | Confident | 75.8 | Confident | 59 Ų | 59 | 73.9 Ų | 73.9 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -53.9 | -36.5 | 173.2 | -63.7 | 169.5 | 0 | 0 | 0 | 110.4 | R577 L580 E581 N663 L664 | R577-I661 HydrophobicContact CG-CG2 4.26Å; R577-I661 PolarHBondContact NH1-O 3.1Å; L580-I661 HydrophobicContact CB-CD1 4.45Å; L580-I661 HydrophobicContact CB-CG1 3.84Å; E581-I661 HydrophobicContact CG-CD1 4Å; E581-I661 HydrophobicContact CG-CG1 4.32Å; E581-I661 HydrophobicContact CG-CG2 4.04Å; I661-N663 PolarHBondContact O-N 3.38Å; I661-L664 PolarHBondContact O-N 3.19Å |
| 662 | E | 77.9 | Confident | 73.9 | Confident | 173 Ų | 173 | 78.3 Ų | 78.3 | 81% | 0.808 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -63.5 | -27.2 | -179.8 | -63 | 176.1 | 176.7 | 0 | 0 | 113.3 | S660 L664 | S660-E662 PolarHBondContact O-N 3.46Å; S660-E662 PolarHBondContact OG-N 2.82Å; E662-L664 VanDerWaalsContact C-N 3.34Å |
| 663 | N | 77 | Confident | 72.1 | Confident | 125 Ų | 125 | 75.7 Ų | 75.7 | 67% | 0.668 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -85.5 | -6 | -176.9 | -65.9 | -16.3 | 0 | 0 | 0 | 113.3 | S660 I661 | S660-N663 PolarHBondContact O-N 3.14Å; I661-N663 PolarHBondContact O-N 3.38Å |
| 664 | L | 77 | Confident | 70.1 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 11% | 0.11 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -113.2 | 140.9 | -172.5 | -60.3 | 170.3 | 0 | 0 | 0 | 110.5 | P573 M576 R577 L580 I661 E662 A666 | P573-L664 HydrophobicContact CB-CD2 4.08Å; M576-L664 HydrophobicContact CE-CD1 3.74Å; M576-L664 HydrophobicContact CE-CD2 3.44Å; M576-L664 VanDerWaalsContact CE-CD2 3.44Å; M576-L664 HydrophobicContact CE-CG 4.23Å; M576-L664 HydrophobicContact CG-CD1 4.23Å; R577-L664 HydrophobicContact CB-CB 3.9Å; R577-L664 HydrophobicContact CB-CD1 3.85Å; R577-L664 HydrophobicContact CG-CB 4.25Å; R577-L664 PolarHBondContact NH1-O 3.19Å; L580-L664 HydrophobicContact CD1-CD1 3.81Å; I661-L664 PolarHBondContact O-N 3.19Å; E662-L664 VanDerWaalsContact C-N 3.34Å; L664-A666 PolarHBondContact O-N 3.13Å |
| 665 | A | 69.4 | Low | 67.8 | Low | 74 Ų | 74 | 77.4 Ų | 77.4 | 61% | 0.612 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 135.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R577 | R577-A665 VanDerWaalsContact CD-O 3.29Å; R577-A665 WeakPolarHBondContact CD-O 3.42Å |
| 666 | A | 58.7 | Low | 65.4 | Low | 71 Ų | 71 | 82.3 Ų | 82.3 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 135.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L664 | L664-A666 PolarHBondContact O-N 3.13Š|
| 667 | P | 57.5 | Low | 62.8 | Low | 20 Ų | 20 | 81.4 Ų | 81.4 | 13% | 0.13 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 151.1 | 169.8 | 20.9 | -28.5 | 0 | 0 | 0 | 112 | S669 I670 Y673 | P667-S669 PolarHBondContact O-N 3.03Å; P667-I670 HydrophobicContact CG-CG1 4.2Å; P667-Y673 HydrophobicContact CB-CD2 4.35Å; P667-Y673 HydrophobicContact CB-CE2 3.45Å; P667-Y673 VanDerWaalsContact CB-CE2 3.45Å; P667-Y673 HydrophobicContact CG-CE2 4.47Å |
| 668 | A | 55.7 | Low | 59.9 | Low | 110 Ų | 110 | 78.9 Ų | 78.9 | 91% | 0.909 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -62.2 | -29.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 669 | S | 47.8 | Very low | 57.2 | Low | 52 Ų | 52 | 83.2 Ų | 83.2 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | trans | -170.6 | 137.6 | 166.6 | 161.7 | 0 | 0 | 0 | 0 | 109.4 | P667 M671 T672 Y673 | P667-S669 PolarHBondContact O-N 3.03Å; S669-M671 PolarHBondContact OG-N 3.15Å; S669-T672 WeakPolarHBondContact CB-OG1 3.5Å; S669-T672 PolarHBondContact O-OG1 2.97Å; S669-T672 PolarHBondContact OG-OG1 2.71Å; S669-Y673 VanDerWaalsContact O-CD2 3.28Å; S669-Y673 WeakPolarHBondContact O-CD2 3.4Å; S669-Y673 WeakPolarHBondContact O-CE2 3.2Å | ||
| 670 | I | 47.8 | Very low | 54.7 | Low | 72 Ų | 72 | 84.2 Ų | 84.2 | 37% | 0.369 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -67.3 | -37.6 | 176.8 | -66.1 | 169.3 | 0 | 0 | 0 | 110.9 | E581 P667 T672 Y673 F674 | E581-I670 WeakPolarHBondContact OE2-CD1 3.32Å; E581-I670 WeakPolarHBondContact OE2-CG1 3.32Å; P667-I670 HydrophobicContact CG-CG1 4.2Å; I670-T672 PolarHBondContact O-N 3.26Å; I670-Y673 WeakPolarHBondContact O-CB 3.47Å; I670-Y673 PolarHBondContact O-N 3.44Å; I670-F674 HydrophobicContact CG2-CD2 3.99Å; I670-F674 HydrophobicContact CG2-CE2 3.58Å; I670-F674 WeakPolarHBondContact O-CD2 3.29Å |
| 671 | M | 45.1 | Very low | 52.5 | Low | 153 Ų | 153 | 83.2 Ų | 83.2 | 75% | 0.754 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.9 | -32.8 | -179.7 | -74.3 | -65.4 | -166.9 | 0 | 0 | 112.1 | S669 Y673 F674 | S669-M671 PolarHBondContact OG-N 3.15Å; M671-Y673 PolarHBondContact O-N 2.86Å; M671-Y673 VanDerWaalsContact O-N 3.13Å; M671-F674 PolarHBondContact O-N 3.43Å |
| 672 | T | 53.3 | Low | 50.3 | Low | 96 Ų | 96 | 84.5 Ų | 84.5 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -21.6 | 174 | 1 | 0 | 0 | 0 | 0 | 113.8 | S669 I670 | S669-T672 WeakPolarHBondContact CB-OG1 3.5Å; S669-T672 PolarHBondContact O-OG1 2.97Å; S669-T672 PolarHBondContact OG-OG1 2.71Å; I670-T672 PolarHBondContact O-N 3.26Å |
| 673 | Y | 54.3 | Low | 48.5 | Very low | 38 Ų | 38 | 77.4 Ų | 77.4 | 15% | 0.149 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -92.3 | -16.6 | 179.6 | -66.7 | -74.9 | 0 | 0 | 0 | 113.9 | C479 A480 L575 P667 S669 I670 M671 | C479-Y673 WeakPolarHBondContact CA-O 3.47Å; C479-Y673 PolarHBondContact SG-O 3.43Å; A480-Y673 HydrophobicContact CB-CD1 3.52Å; A480-Y673 HydrophobicContact CB-CG 4.18Å; A480-Y673 PolarHBondContact N-O 2.87Å; L575-Y673 HydrophobicContact CD2-CD1 3.55Å; L575-Y673 HydrophobicContact CD2-CE1 3.45Å; L575-Y673 VanDerWaalsContact CD2-CE1 3.45Å; P667-Y673 HydrophobicContact CB-CD2 4.35Å; P667-Y673 HydrophobicContact CB-CE2 3.45Å; P667-Y673 VanDerWaalsContact CB-CE2 3.45Å; P667-Y673 HydrophobicContact CG-CE2 4.47Å; S669-Y673 VanDerWaalsContact O-CD2 3.28Å; S669-Y673 WeakPolarHBondContact O-CD2 3.4Å; S669-Y673 WeakPolarHBondContact O-CE2 3.2Å; I670-Y673 WeakPolarHBondContact O-CB 3.47Å; I670-Y673 PolarHBondContact O-N 3.44Å; M671-Y673 PolarHBondContact O-N 2.86Å; M671-Y673 VanDerWaalsContact O-N 3.13Å |
| 674 | F | 51.3 | Low | 47.1 | Very low | 54 Ų | 54 | 72.1 Ų | 72.1 | 24% | 0.237 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -84.9 | -18.4 | 175.6 | -76.1 | -85.4 | 0 | 0 | 0 | 112.4 | I473 F475 F481 I670 M671 | I473-F674 HydrophobicContact CG2-CE1 3.87Å; I473-F674 HydrophobicContact CG2-CZ 4.09Å; F475-F674 HydrophobicContact CB-CD1 4.45Å; F475-F674 HydrophobicContact CB-CE1 4.36Å; F481-F674 HydrophobicContact CE2-CE1 4.29Å; F481-F674 HydrophobicContact CE2-CZ 4.02Å; F481-F674 HydrophobicContact CZ-CZ 4.4Å; I670-F674 HydrophobicContact CG2-CD2 3.99Å; I670-F674 HydrophobicContact CG2-CE2 3.58Å; I670-F674 WeakPolarHBondContact O-CD2 3.29Å; M671-F674 PolarHBondContact O-N 3.43Å |
| 675 | G | 48 | Very low | 45.1 | Very low | 35 Ų | 35 | 72.3 Ų | 72.3 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | trans | 86.9 | 144.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D677 | G675-D677 VanDerWaalsContact C-N 3.33Š| ||
| 676 | E | 40.2 | Very low | 43.5 | Very low | 190 Ų | 190 | 71.6 Ų | 71.6 | 89% | 0.888 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -75 | -23.4 | -179.4 | -68.4 | -176.2 | 158.6 | 0 | 0 | 112.6 | ||
| 677 | D | 35 | Very low | 42.2 | Very low | 117 Ų | 117 | 73.3 Ų | 73.3 | 63% | 0.626 | 42% | 0.423 | S | S | * | . | trans | -125.1 | 65.6 | -172.5 | -70.4 | -44 | 0 | 0 | 0 | 112.3 | G675 I679 | G675-D677 VanDerWaalsContact C-N 3.33Å; D677-I679 PolarHBondContact O-N 2.9Å | ||
| 678 | G | 30.5 | Very low | 40.7 | Very low | 51 Ų | 51 | 76.2 Ų | 76.2 | 53% | 0.526 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 7.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 679 | I | 29.9 | Very low | 39.2 | Very low | 143 Ų | 143 | 80.8 Ų | 80.8 | 73% | 0.733 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -23.7 | -168.5 | -52.2 | 176.8 | 0 | 0 | 0 | 112.4 | D677 | D677-I679 PolarHBondContact O-N 2.9Š|
| 680 | N | 33.4 | Very low | 38.2 | Very low | 68 Ų | 68 | 85.8 Ų | 85.8 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | trans | -122.6 | 70.1 | -167.8 | -65 | -33.4 | 0 | 0 | 0 | 112.7 | I682 V692 | N680-I682 PolarHBondContact O-N 3.27Å; N680-V692 HydrophobicContact CB-CG1 3.98Å; N680-V692 WeakPolarHBondContact OD1-CG1 3.46Å | ||
| 681 | G | 32.7 | Very low | 37.2 | Very low | 25 Ų | 25 | 87.4 Ų | 87.4 | 26% | 0.258 | 48% | 0.48 | S | S | . | . | trans | -58.8 | 112.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 682 | I | 34.1 | Very low | 36.5 | Very low | 86 Ų | 86 | 84.6 Ų | 84.6 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | trans | -71.8 | 125.5 | 165.1 | -61.3 | 176 | 0 | 0 | 0 | 107.2 | I477 N680 L686 | I477-I682 WeakPolarHBondContact CD1-O 3.19Å; N680-I682 PolarHBondContact O-N 3.27Å; I682-L686 HydrophobicContact CG2-CD1 3.59Å | ||
| 683 | D | 39.1 | Very low | 35.6 | Very low | 24 Ų | 24 | 83.9 Ų | 83.9 | 13% | 0.128 | 46% | 0.464 | C | S | . | . | trans | -67.2 | 129.5 | -178.1 | 166.2 | 32.5 | 0 | 0 | 0 | 111.7 | N370 G685 L686 | N370-D683 PolarHBondContact OD1-OD2 3.01Å; D683-G685 PolarHBondContact O-N 3.29Å; D683-G685 VanDerWaalsContact O-N 3.1Å; D683-G685 PolarHBondContact OD1-N 3.25Å; D683-L686 HydrophobicContact CB-CD1 4.17Å; D683-L686 HydrophobicContact CB-CG 4.01Å; D683-L686 PolarHBondContact O-N 3.05Å | ||
| 684 | E | 47.7 | Very low | 34.5 | Very low | 14 Ų | 14 | 86.5 Ų | 86.5 | 7% | 0.065 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.9 | 175.8 | -64.2 | -167.8 | 154.6 | 0 | 0 | 113.6 | I477 H482 Y502 C532 A533 W596 | I477-E684 HydrophobicContact CD1-CG 3.53Å; H482-E684 IonicContact CE1-OE1 3.57Å; H482-E684 PolarHBondContact CE1-OE1 2.81Å; H482-E684 IonicContact NE2-OE1 3.81Å; H482-E684 PolarHBondContact NE2-OE1 3.46Å; Y502-E684 WeakPolarHBondContact CE2-OE1 3.44Å; Y502-E684 VanDerWaalsContact OH-CD 3.32Å; Y502-E684 PolarHBondContact OH-OE1 2.83Å; Y502-E684 PolarHBondContact OH-OE2 3.39Å; Y502-E684 VanDerWaalsContact OH-OE2 3.13Å; C532-E684 HydrophobicContact CB-CB 4.3Å; A533-E684 PolarHBondContact N-O 3.25Å; W596-E684 WeakPolarHBondContact CZ3-OE2 3.37Å |
| 685 | G | 36.3 | Very low | 33.7 | Very low | 25 Ų | 25 | 86.9 Ų | 86.9 | 26% | 0.258 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | D683 Y687 | D683-G685 PolarHBondContact O-N 3.29Å; D683-G685 VanDerWaalsContact O-N 3.1Å; D683-G685 PolarHBondContact OD1-N 3.25Å; G685-Y687 WeakPolarHBondContact O-CD2 3.27Å; G685-Y687 PolarHBondContact O-N 3.46Å; G685-Y687 VanDerWaalsContact O-N 3.15Å |
| 686 | L | 35.9 | Very low | 33.2 | Very low | 60 Ų | 60 | 86.2 Ų | 86.2 | 31% | 0.314 | 48% | 0.484 | S | S | . | . | trans | -59 | 118.5 | -173.2 | -89.7 | 159.6 | 0 | 0 | 0 | 113.9 | I682 D683 | I682-L686 HydrophobicContact CG2-CD1 3.59Å; D683-L686 HydrophobicContact CB-CD1 4.17Å; D683-L686 HydrophobicContact CB-CG 4.01Å; D683-L686 PolarHBondContact O-N 3.05Å | ||
| 687 | Y | 31 | Very low | 33.3 | Very low | 106 Ų | 106 | 77.3 Ų | 77.3 | 42% | 0.416 | 44% | 0.443 | S | S | . | . | trans | -108.5 | 54.8 | 155.5 | -67.7 | -89 | 0 | 0 | 0 | 109.5 | A533 S537 R540 G685 | A533-Y687 PolarHBondContact O-OH 2.98Å; S537-Y687 WeakPolarHBondContact CA-OH 3.46Å; S537-Y687 WeakPolarHBondContact CB-OH 3.24Å; S537-Y687 PolarHBondContact N-OH 3.32Å; R540-Y687 VanDerWaalsContact NH2-CE2 3.33Å; R540-Y687 PolarHBondContact NH2-OH 2.9Å; G685-Y687 WeakPolarHBondContact O-CD2 3.27Å; G685-Y687 PolarHBondContact O-N 3.46Å; G685-Y687 VanDerWaalsContact O-N 3.15Å | ||
| 688 | C | 25.7 | Very low | 33.7 | Very low | 81 Ų | 81 | 73 Ų | 73 | 55% | 0.547 | 42% | 0.419 | S | S | . | . | trans | -166.7 | 141.7 | 167.2 | -133.5 | 0 | 0 | 0 | 0 | 113.6 | Q690 | C688-Q690 PolarHBondContact O-N 2.96Š| ||
| 689 | E | 25.2 | Very low | 34.3 | Very low | 206 Ų | 206 | 70.7 Ų | 70.7 | 96% | 0.963 | 40% | 0.395 | S | S | * | . | trans | -74.4 | 27.5 | 172.3 | -62.7 | -178.8 | 155.2 | 0 | 0 | 113.6 | ||||
| 690 | Q | 25.7 | Very low | 34.7 | Very low | 158 Ų | 158 | 65.8 Ų | 65.8 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | trans | -104.8 | 143.9 | -177.6 | -75.5 | -170.3 | -6.3 | 0 | 0 | 113.8 | C688 | C688-Q690 PolarHBondContact O-N 2.96Š| ||
| 691 | S | 27.4 | Very low | 35.2 | Very low | 105 Ų | 105 | 64.1 Ų | 64.1 | 73% | 0.734 | 36% | 0.363 | S | S | * | . | trans | -70.1 | 141.3 | -162.7 | 50.5 | 0 | 0 | 0 | 0 | 115.6 | L693 | S691-L693 PolarHBondContact O-N 3.09Š| ||
| 692 | V | 30 | Very low | 35.7 | Very low | 95 Ų | 95 | 63.4 Ų | 63.4 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | trans | 2.5 | 93.6 | 156.9 | -168.1 | 0 | 0 | 0 | 0 | 115 | N680 S694 | N680-V692 HydrophobicContact CB-CG1 3.98Å; N680-V692 WeakPolarHBondContact OD1-CG1 3.46Å; V692-S694 PolarHBondContact O-N 3.17Å | ||
| 693 | L | 33.5 | Very low | 36 | Very low | 80 Ų | 80 | 61.9 Ų | 61.9 | 42% | 0.419 | 35% | 0.345 | S | S | . | . | trans | -87.2 | 90.5 | 170.7 | -80.7 | 162.9 | 0 | 0 | 0 | 110.1 | S374 R592 S691 S695 | S374-L693 VanDerWaalsContact OG-CD1 3.29Å; S374-L693 WeakPolarHBondContact OG-CD1 3.23Å; R592-L693 PolarHBondContact NH1-O 3.22Å; R592-L693 PolarHBondContact NH2-O 3.07Å; S691-L693 PolarHBondContact O-N 3.09Å; L693-S695 VanDerWaalsContact C-N 3.31Å; L693-S695 PolarHBondContact O-N 2.81Å; L693-S695 VanDerWaalsContact O-N 3.08Å | ||
| 694 | S | 32.5 | Very low | 36 | Very low | 93 Ų | 93 | 64.4 Ų | 64.4 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | trans | -77.7 | 74.3 | 170.3 | 50.4 | 0 | 0 | 0 | 0 | 111 | V692 | V692-S694 PolarHBondContact O-N 3.17Š| ||
| 695 | S | 33.5 | Very low | 35.7 | Very low | 62 Ų | 62 | 66.7 Ų | 66.7 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | trans | -177.6 | 131.6 | 156.4 | 31.1 | 0 | 0 | 0 | 0 | 108.5 | I377 L693 | I377-S695 WeakPolarHBondContact CD1-O 3.49Å; L693-S695 VanDerWaalsContact C-N 3.31Å; L693-S695 PolarHBondContact O-N 2.81Å; L693-S695 VanDerWaalsContact O-N 3.08Å | ||
| 696 | W | 38.2 | Very low | 35.9 | Very low | 21 Ų | 21 | 71.3 Ų | 71.3 | 8% | 0.08 | 39% | 0.393 | C | S | . | . | trans | -101.2 | 160.3 | 157.5 | -137.1 | 61.7 | 0 | 0 | 0 | 106.8 | C593 G603 F637 N698 | C593-W696 HydrophobicContact CB-CH2 4.01Å; C593-W696 HydrophobicContact CB-CZ2 3.88Å; G603-W696 WeakPolarHBondContact O-CH2 3.46Å; F637-W696 HydrophobicContact CB-CH2 3.22Å; F637-W696 HydrophobicContact CB-CZ3 3.18Å; F637-W696 HydrophobicContact CD1-CE3 4.49Å; F637-W696 AromaticContact CD1-CH2 3.01Å; F637-W696 HydrophobicContact CD1-CH2 3.01Å; F637-W696 AromaticContact CD1-CZ2 3.83Å; F637-W696 HydrophobicContact CD1-CZ2 3.83Å; F637-W696 AromaticContact CD1-CZ3 3.41Å; F637-W696 HydrophobicContact CD1-CZ3 3.41Å; F637-W696 VanDerWaalsContact CD1-CZ3 3.41Å; F637-W696 HydrophobicContact CD2-CH2 4.35Å; F637-W696 AromaticContact CD2-CZ3 3.91Å; F637-W696 HydrophobicContact CD2-CZ3 3.91Å; F637-W696 AromaticContact CE1-CH2 3.97Å; F637-W696 HydrophobicContact CE1-CH2 3.97Å; F637-W696 HydrophobicContact CE1-CZ2 4.49Å; F637-W696 HydrophobicContact CE1-CZ3 4.24Å; F637-W696 HydrophobicContact CG-CE3 4.35Å; F637-W696 AromaticContact CG-CH2 3.24Å; F637-W696 HydrophobicContact CG-CH2 3.24Å; F637-W696 HydrophobicContact CG-CZ2 4.41Å; F637-W696 AromaticContact CG-CZ3 3.17Å; F637-W696 HydrophobicContact CG-CZ3 3.17Å; W696-N698 PolarHBondContact O-N 3.4Å | ||
| 697 | P | 42.3 | Very low | 35.7 | Very low | 4 Ų | 4 | 76.1 Ų | 76.1 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | trans | -63.1 | 101.8 | 160.8 | 8.1 | 3.3 | 0 | 0 | 0 | 104.3 | L376 I377 | L376-P697 HydrophobicContact CB-CG 4.34Å; I377-P697 HydrophobicContact CG1-CG 4.15Å | ||
| 698 | N | 42.6 | Very low | 35.7 | Very low | 25 Ų | 25 | 80.2 Ų | 80.2 | 13% | 0.134 | 43% | 0.434 | C | S | . | . | trans | -47 | 132.4 | 173.6 | -178.1 | -35.4 | 0 | 0 | 0 | 106.7 | D608 W696 L700 V701 | D608-N698 PolarHBondContact OD1-ND2 3.41Å; D608-N698 VanDerWaalsContact OD1-ND2 3.11Å; W696-N698 PolarHBondContact O-N 3.4Å; N698-L700 HydrophobicContact CB-CB 4.36Å; N698-L700 CarbonylContact O-C 3.46Å; N698-L700 PolarHBondContact O-N 3.44Å; N698-L700 WeakPolarHBondContact OD1-CB 3.47Å; N698-L700 WeakPolarHBondContact OD1-CG 3.42Å; N698-L700 PolarHBondContact OD1-N 2.9Å; N698-V701 HydrophobicContact CB-CG2 4.3Å; N698-V701 WeakPolarHBondContact O-CA 3.33Å; N698-V701 VanDerWaalsContact O-CB 3.27Å; N698-V701 WeakPolarHBondContact O-CB 3.48Å; N698-V701 PolarHBondContact O-N 2.94Å | ||
| 699 | P | 42.9 | Very low | 35.8 | Very low | 4 Ų | 4 | 80.5 Ų | 80.5 | 3% | 0.026 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -47.6 | -23.9 | 173.2 | -29.4 | 34.5 | 0 | 0 | 0 | 113.1 | M604 W612 V702 L703 | M604-P699 HydrophobicContact CE-CG 3.73Å; M604-P699 HydrophobicContact CG-CG 4.1Å; M604-P699 HydrophobicContact SD-CG 3.63Å; W612-P699 HydrophobicContact CB-CB 4.36Å; W612-P699 HydrophobicContact CB-CG 4.36Å; W612-P699 HydrophobicContact CG-CB 3.94Å; W612-P699 HydrophobicContact CG-CG 4.17Å; P699-V702 CarbonylContact O-C 3.41Å; P699-V702 WeakPolarHBondContact O-CA 3.26Å; P699-V702 WeakPolarHBondContact O-CB 3.46Å; P699-V702 PolarHBondContact O-N 3.08Å; P699-L703 PolarHBondContact O-N 2.98Å |
| 700 | L | 40.2 | Very low | 35.8 | Very low | 39 Ų | 39 | 82.7 Ų | 82.7 | 20% | 0.204 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 167.8 | -63.8 | -168.5 | 0 | 0 | 0 | 115.3 | L611 I615 N698 V702 L703 S704 | L611-L700 HydrophobicContact CD1-CD1 4.3Å; L611-L700 HydrophobicContact CD2-CD1 3.47Å; L611-L700 VanDerWaalsContact CD2-CD1 3.47Å; L611-L700 HydrophobicContact CD2-CG 4.46Å; L611-L700 HydrophobicContact CG-CD1 3.69Å; L611-L700 HydrophobicContact CG-CG 4.44Å; I615-L700 HydrophobicContact CB-CD2 3.87Å; I615-L700 HydrophobicContact CD1-CD1 3.39Å; I615-L700 HydrophobicContact CD1-CD2 3.19Å; I615-L700 HydrophobicContact CD1-CG 3.83Å; I615-L700 HydrophobicContact CG1-CD2 4.07Å; I615-L700 HydrophobicContact CG2-CD2 3.67Å; N698-L700 HydrophobicContact CB-CB 4.36Å; N698-L700 CarbonylContact O-C 3.46Å; N698-L700 PolarHBondContact O-N 3.44Å; N698-L700 WeakPolarHBondContact OD1-CB 3.47Å; N698-L700 WeakPolarHBondContact OD1-CG 3.42Å; N698-L700 PolarHBondContact OD1-N 2.9Å; L700-V702 PolarHBondContact O-N 3.2Å; L700-L703 HydrophobicContact CD2-CD1 4.09Å; L700-L703 PolarHBondContact O-N 2.91Å; L700-S704 WeakPolarHBondContact O-CA 3.25Å; L700-S704 WeakPolarHBondContact O-CB 3.46Å; L700-S704 PolarHBondContact O-N 3.4Å; L700-S704 PolarHBondContact O-OG 3.39Å |
| 701 | V | 42.9 | Very low | 35.8 | Very low | 34 Ų | 34 | 84.2 Ų | 84.2 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.1 | -30.6 | 169.5 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | P379 N698 S704 K705 | P379-V701 HydrophobicContact CB-CG1 4.41Å; N698-V701 HydrophobicContact CB-CG2 4.3Å; N698-V701 WeakPolarHBondContact O-CA 3.33Å; N698-V701 VanDerWaalsContact O-CB 3.27Å; N698-V701 WeakPolarHBondContact O-CB 3.48Å; N698-V701 PolarHBondContact O-N 2.94Å; V701-S704 WeakPolarHBondContact CA-OG 3.3Å; V701-S704 PolarHBondContact O-OG 3.08Å; V701-S704 VanDerWaalsContact O-OG 3.14Å; V701-K705 WeakPolarHBondContact O-CD 3.48Å; V701-K705 WeakPolarHBondContact O-CG 3.41Å; V701-K705 PolarHBondContact O-N 3.23Å |
| 702 | V | 42.5 | Very low | 35.8 | Very low | 9 Ų | 9 | 84.3 Ų | 84.3 | 6% | 0.055 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -86.5 | -39 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 112.5 | E232 A636 F637 P699 L700 S704 K705 L706 | E232-V702 HydrophobicContact CB-CG1 3.7Å; E232-V702 HydrophobicContact CG-CG1 3.95Å; A636-V702 HydrophobicContact CB-CG1 4.33Å; F637-V702 HydrophobicContact CD2-CG2 4.46Å; F637-V702 HydrophobicContact CE2-CB 4.42Å; F637-V702 HydrophobicContact CE2-CG2 3.57Å; F637-V702 HydrophobicContact CZ-CG2 4.38Å; P699-V702 CarbonylContact O-C 3.41Å; P699-V702 WeakPolarHBondContact O-CA 3.26Å; P699-V702 WeakPolarHBondContact O-CB 3.46Å; P699-V702 PolarHBondContact O-N 3.08Å; L700-V702 PolarHBondContact O-N 3.2Å; V702-S704 VanDerWaalsContact C-N 3.34Å; V702-S704 PolarHBondContact O-N 3.41Å; V702-K705 WeakPolarHBondContact O-CB 3.19Å; V702-K705 PolarHBondContact O-N 3.48Å; V702-K705 VanDerWaalsContact O-N 3.15Å; V702-L706 HydrophobicContact CG1-CD1 4.49Å; V702-L706 WeakPolarHBondContact O-CG 3.32Å; V702-L706 PolarHBondContact O-N 2.85Å |
| 703 | L | 40.7 | Very low | 35.5 | Very low | 54 Ų | 54 | 86.5 Ų | 86.5 | 28% | 0.283 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.2 | -35.4 | 172.5 | -71.8 | 167.1 | 0 | 0 | 0 | 112.2 | I615 P699 L700 K705 L706 K707 | I615-L703 HydrophobicContact CG2-CD1 4.15Å; P699-L703 PolarHBondContact O-N 2.98Å; L700-L703 HydrophobicContact CD2-CD1 4.09Å; L700-L703 PolarHBondContact O-N 2.91Å; L703-K705 VanDerWaalsContact C-N 3.32Å; L703-L706 HydrophobicContact CD2-CD1 4.5Å; L703-L706 PolarHBondContact O-N 3.12Å; L703-K707 PolarHBondContact O-N 3.22Å; L703-K707 VanDerWaalsContact O-N 3.15Å |
| 704 | S | 39.9 | Very low | 35.2 | Very low | 77 Ų | 77 | 87 Ų | 87 | 54% | 0.538 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.8 | -22.3 | 172.1 | 60.6 | 0 | 0 | 0 | 0 | 113 | L700 V701 V702 | L700-S704 WeakPolarHBondContact O-CA 3.25Å; L700-S704 WeakPolarHBondContact O-CB 3.46Å; L700-S704 PolarHBondContact O-N 3.4Å; L700-S704 PolarHBondContact O-OG 3.39Å; V701-S704 WeakPolarHBondContact CA-OG 3.3Å; V701-S704 PolarHBondContact O-OG 3.08Å; V701-S704 VanDerWaalsContact O-OG 3.14Å; V702-S704 VanDerWaalsContact C-N 3.34Å; V702-S704 PolarHBondContact O-N 3.41Å |
| 705 | K | 41.7 | Very low | 34.9 | Very low | 62 Ų | 62 | 86.4 Ų | 86.4 | 27% | 0.27 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75 | -35.4 | 167.6 | -76.2 | 164.3 | -174 | 175.3 | 0 | 112.5 | P379 I381 V701 V702 L703 | P379-K705 WeakPolarHBondContact O-CE 3.39Å; I381-K705 PolarHBondContact O-NZ 3.15Å; V701-K705 WeakPolarHBondContact O-CD 3.48Å; V701-K705 WeakPolarHBondContact O-CG 3.41Å; V701-K705 PolarHBondContact O-N 3.23Å; V702-K705 WeakPolarHBondContact O-CB 3.19Å; V702-K705 PolarHBondContact O-N 3.48Å; V702-K705 VanDerWaalsContact O-N 3.15Å; L703-K705 VanDerWaalsContact C-N 3.32Å |
| 706 | L | 39.8 | Very low | 34.6 | Very low | 123 Ų | 123 | 90.8 Ų | 90.8 | 64% | 0.644 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -75.6 | -28.2 | -178.6 | -73.7 | 170.7 | 0 | 0 | 0 | 113.4 | V702 L703 | V702-L706 HydrophobicContact CG1-CD1 4.49Å; V702-L706 WeakPolarHBondContact O-CG 3.32Å; V702-L706 PolarHBondContact O-N 2.85Å; L703-L706 HydrophobicContact CD2-CD1 4.5Å; L703-L706 PolarHBondContact O-N 3.12Å |
| 707 | K | 31.4 | Very low | 34.2 | Very low | 160 Ų | 160 | 96.8 Ų | 96.8 | 70% | 0.696 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -103 | 101.7 | 170.1 | -72.8 | -179.1 | 177.4 | 177.7 | 0 | 107.8 | L703 V709 | L703-K707 PolarHBondContact O-N 3.22Å; L703-K707 VanDerWaalsContact O-N 3.15Å; K707-V709 PolarHBondContact O-N 3.44Å |
| 708 | E | 31.7 | Very low | 33.7 | Very low | 193 Ų | 193 | 102.6 Ų | 102.6 | 90% | 0.902 | 55% | 0.546 | S | S | * | . | trans | -60.1 | 70.6 | 165.2 | -72.5 | -173.9 | 153.8 | 0 | 0 | 110.6 | ||||
| 709 | V | 26.6 | Very low | 33.4 | Very low | 86 Ų | 86 | 106.7 Ų | 106.7 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | trans | -151.5 | 96.4 | 175 | -175 | 0 | 0 | 0 | 0 | 107.2 | K707 Y711 | K707-V709 PolarHBondContact O-N 3.44Å; V709-Y711 HydrophobicContact CG1-CD2 3.21Å; V709-Y711 HydrophobicContact CG1-CE2 3.05Å; V709-Y711 HydrophobicContact CG1-CG 4.26Å; V709-Y711 PolarHBondContact O-N 3.05Å | ||
| 710 | W | 26.4 | Very low | 33.1 | Very low | 252 Ų | 252 | 108.7 Ų | 108.7 | 96% | 0.955 | 60% | 0.598 | S | S | * | * | trans | -69.6 | 120 | 161.1 | -76.4 | 80.6 | 0 | 0 | 0 | 108.6 | ||||
| 711 | Y | 25.8 | Very low | 32.9 | Very low | 191 Ų | 191 | 111.1 Ų | 111.1 | 75% | 0.749 | 61% | 0.608 | S | S | * | * | trans | -132.5 | 126.4 | 154.6 | -75.1 | -64.1 | 0 | 0 | 0 | 108.9 | V709 T713 | V709-Y711 HydrophobicContact CG1-CD2 3.21Å; V709-Y711 HydrophobicContact CG1-CE2 3.05Å; V709-Y711 HydrophobicContact CG1-CG 4.26Å; V709-Y711 PolarHBondContact O-N 3.05Å; Y711-T713 PolarHBondContact O-N 3.24Å | ||
| 712 | P | 26.9 | Very low | 32.8 | Very low | 106 Ų | 106 | 113 Ų | 113 | 69% | 0.688 | 63% | 0.627 | S | S | * | * | trans | -76.8 | 113.7 | 171.4 | 30 | -27.8 | 0 | 0 | 0 | 108.7 | S714 | P712-S714 PolarHBondContact O-N 3.21Š| ||
| 713 | T | 24.3 | Very low | 32.7 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 87% | 0.871 | 65% | 0.65 | S | S | * | * | trans | -88.2 | 82.1 | 170.3 | 47.8 | 0 | 0 | 0 | 0 | 109.8 | Y711 | Y711-T713 PolarHBondContact O-N 3.24Š| ||
| 714 | S | 26.1 | Very low | 32.7 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | -158.8 | 109.6 | 152 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | P712 | P712-S714 PolarHBondContact O-N 3.21Š| ||
| 715 | G | 26.2 | Very low | 32.7 | Very low | 80 Ų | 80 | 120 Ų | 120 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | trans | 117 | 120.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 716 | N | 28.2 | Very low | 32.7 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -53.6 | 159.9 | 175.2 | -73.6 | -26 | 0 | 0 | 0 | 113.8 | ||||
| 717 | D | 29.5 | Very low | 32.9 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | 94 | 79.5 | 163.8 | -53 | -23.7 | 0 | 0 | 0 | 117.3 | ||||
| 718 | L | 31.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 115.4 Ų | 115.4 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | trans | -124.4 | 34.5 | 168.5 | -77.6 | 177.5 | 0 | 0 | 0 | 113.9 | G720 E721 | L718-G720 VanDerWaalsContact C-N 3.26Å; L718-G720 PolarHBondContact O-N 3.04Å; L718-E721 HydrophobicContact CD2-CB 4.5Å; L718-E721 VanDerWaalsContact CD2-CD 3.44Å; L718-E721 HydrophobicContact CD2-CG 3.78Å; L718-E721 WeakPolarHBondContact CD2-OE2 3.44Å | ||
| 719 | S | 36.9 | Very low | 34.1 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -77.5 | -7.8 | 169.4 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 720 | G | 35.6 | Very low | 35.2 | Very low | 45 Ų | 45 | 111.9 Ų | 111.9 | 46% | 0.464 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -88.6 | -31 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L718 A722 V723 E724 | L718-G720 VanDerWaalsContact C-N 3.26Å; L718-G720 PolarHBondContact O-N 3.04Å; G720-A722 PolarHBondContact O-N 3.4Å; G720-V723 PolarHBondContact O-N 2.85Å; G720-E724 PolarHBondContact O-N 2.81Å |
| 721 | E | 35.8 | Very low | 36 | Very low | 91 Ų | 91 | 102 Ų | 102 | 43% | 0.425 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.9 | -33.7 | -169.2 | -80.1 | -170.3 | 152 | 0 | 0 | 114.3 | L718 L725 | L718-E721 HydrophobicContact CD2-CB 4.5Å; L718-E721 VanDerWaalsContact CD2-CD 3.44Å; L718-E721 HydrophobicContact CD2-CG 3.78Å; L718-E721 WeakPolarHBondContact CD2-OE2 3.44Å; E721-L725 PolarHBondContact O-N 3.34Å |
| 722 | A | 40.4 | Very low | 37.6 | Very low | 72 Ų | 72 | 96.4 Ų | 96.4 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71 | -31.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G720 Q726 | G720-A722 PolarHBondContact O-N 3.4Å; A722-Q726 PolarHBondContact O-N 2.96Å |
| 723 | V | 41.6 | Very low | 38.9 | Very low | 91 Ų | 91 | 94.2 Ų | 94.2 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -77.4 | -38.9 | -177.6 | -179 | 0 | 0 | 0 | 0 | 111 | G720 Q726 C727 | G720-V723 PolarHBondContact O-N 2.85Å; V723-Q726 PolarHBondContact O-N 2.69Å; V723-C727 PolarHBondContact O-N 3.36Å; V723-C727 VanDerWaalsContact O-N 3.13Å |
| 724 | E | 39.6 | Very low | 40.6 | Very low | 90 Ų | 90 | 90.5 Ų | 90.5 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69 | -40.5 | 178.2 | -78.9 | -174.6 | 155.7 | 0 | 0 | 113.3 | G720 Q726 C727 L728 K879 | G720-E724 PolarHBondContact O-N 2.81Å; E724-Q726 PolarHBondContact O-N 2.74Å; E724-C727 WeakPolarHBondContact O-CB 3.49Å; E724-C727 PolarHBondContact O-N 3.42Å; E724-C727 VanDerWaalsContact O-N 3.16Å; E724-L728 PolarHBondContact O-N 3.39Å; E724-K879 IonicContact OE2-NZ 2.83Å; E724-K879 PolarHBondContact OE2-NZ 2.85Å |
| 725 | L | 40.3 | Very low | 42.3 | Very low | 106 Ų | 106 | 87.2 Ų | 87.2 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.9 | -30.9 | 175.9 | -80.6 | 165.8 | 0 | 0 | 0 | 111.9 | E721 L728 S729 | E721-L725 PolarHBondContact O-N 3.34Å; L725-L728 HydrophobicContact CD2-CD1 4.38Å; L725-S729 PolarHBondContact O-N 3.49Å |
| 726 | Q | 42.6 | Very low | 43.6 | Very low | 140 Ų | 140 | 84.8 Ų | 84.8 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -74.1 | -39.3 | 175.2 | -152.3 | 167.1 | 17.4 | 0 | 0 | 111.7 | A722 V723 E724 L728 S729 | A722-Q726 PolarHBondContact O-N 2.96Å; V723-Q726 PolarHBondContact O-N 2.69Å; E724-Q726 PolarHBondContact O-N 2.74Å; Q726-L728 VanDerWaalsContact C-N 3.33Å; Q726-L728 PolarHBondContact O-N 3.23Å; Q726-S729 PolarHBondContact O-N 2.96Å; Q726-S729 PolarHBondContact O-OG 2.87Å |
| 727 | C | 42.6 | Very low | 44.9 | Very low | 81 Ų | 81 | 78.8 Ų | 78.8 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 171.7 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | V723 E724 S729 T730 | V723-C727 PolarHBondContact O-N 3.36Å; V723-C727 VanDerWaalsContact O-N 3.13Å; E724-C727 WeakPolarHBondContact O-CB 3.49Å; E724-C727 PolarHBondContact O-N 3.42Å; E724-C727 VanDerWaalsContact O-N 3.16Å; C727-S729 VanDerWaalsContact C-N 3.25Å; C727-S729 PolarHBondContact O-N 3.05Å; C727-T730 PolarHBondContact O-N 3.03Å; C727-T730 VanDerWaalsContact O-N 3.11Å; C727-T730 PolarHBondContact O-OG1 2.86Å |
| 728 | L | 41.9 | Very low | 46.6 | Very low | 29 Ų | 29 | 78.3 Ų | 78.3 | 15% | 0.152 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.6 | -30.1 | 176.4 | -79.5 | 160.7 | 0 | 0 | 0 | 112.9 | E724 L725 Q726 T730 S731 K736 W739 | E724-L728 PolarHBondContact O-N 3.39Å; L725-L728 HydrophobicContact CD2-CD1 4.38Å; Q726-L728 VanDerWaalsContact C-N 3.33Å; Q726-L728 PolarHBondContact O-N 3.23Å; L728-T730 PolarHBondContact O-N 3.44Å; L728-S731 PolarHBondContact O-OG 2.81Å; L728-K736 HydrophobicContact CD2-CG 4.33Å; L728-K736 WeakPolarHBondContact O-CE 3.37Å; L728-W739 HydrophobicContact CD1-CE3 4.43Å; L728-W739 HydrophobicContact CD1-CH2 3.93Å; L728-W739 HydrophobicContact CD1-CZ3 3.74Å; L728-W739 HydrophobicContact CD2-CD2 4.35Å; L728-W739 HydrophobicContact CD2-CE3 3.77Å; L728-W739 HydrophobicContact CD2-CZ3 3.93Å; L728-W739 HydrophobicContact CG-CZ3 4.41Å |
| 729 | S | 47.7 | Very low | 47.6 | Very low | 85 Ų | 85 | 75.9 Ų | 75.9 | 59% | 0.594 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.7 | 177.3 | 73.1 | 0 | 0 | 0 | 0 | 113.8 | L725 Q726 C727 | L725-S729 PolarHBondContact O-N 3.49Å; Q726-S729 PolarHBondContact O-N 2.96Å; Q726-S729 PolarHBondContact O-OG 2.87Å; C727-S729 VanDerWaalsContact C-N 3.25Å; C727-S729 PolarHBondContact O-N 3.05Å |
| 730 | T | 48.3 | Very low | 48.6 | Very low | 119 Ų | 119 | 71.2 Ų | 71.2 | 73% | 0.73 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -10 | -173.8 | 64.1 | 0 | 0 | 0 | 0 | 115 | C727 L728 | C727-T730 PolarHBondContact O-N 3.03Å; C727-T730 VanDerWaalsContact O-N 3.11Å; C727-T730 PolarHBondContact O-OG1 2.86Å; L728-T730 PolarHBondContact O-N 3.44Å |
| 731 | S | 44.7 | Very low | 49.8 | Very low | 46 Ų | 46 | 69.8 Ų | 69.8 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -85.5 | 148.8 | -178.7 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | L728 K736 | L728-S731 PolarHBondContact O-OG 2.81Å; S731-K736 WeakPolarHBondContact O-CE 3.36Å; S731-K736 WeakPolarHBondContact OG-CG 3.05Å |
| 732 | S | 58 | Low | 51.2 | Low | 73 Ų | 73 | 70.9 Ų | 70.9 | 51% | 0.51 | 40% | 0.401 | S | S | . | . | trans | -60.6 | 149 | 174.6 | 65.1 | 0 | 0 | 0 | 0 | 110.6 | S734 G735 K736 | S732-S734 PolarHBondContact O-N 3.21Å; S732-S734 VanDerWaalsContact O-N 3.1Å; S732-S734 PolarHBondContact OG-OG 3.33Å; S732-G735 WeakPolarHBondContact O-CA 3.38Å; S732-G735 PolarHBondContact O-N 3.19Å; S732-G735 PolarHBondContact OG-N 2.8Å; S732-K736 PolarHBondContact O-N 3.14Å | ||
| 733 | E | 55.1 | Low | 52 | Low | 60 Ų | 60 | 69.2 Ų | 69.2 | 28% | 0.28 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.7 | -30.6 | 178.1 | -72.9 | -66.3 | 123.3 | 0 | 0 | 112.7 | K736 F737 R871 | E733-K736 WeakPolarHBondContact OE1-CD 3.47Å; E733-K736 IonicContact OE1-NZ 2.78Å; E733-K736 PolarHBondContact OE1-NZ 3.28Å; E733-F737 PolarHBondContact O-N 3Å; E733-F737 VanDerWaalsContact O-N 3.12Å; E733-R871 IonicContact OE2-CZ 2.77Å; E733-R871 IonicContact OE2-NH1 2.76Å; E733-R871 PolarHBondContact OE2-NH1 3.49Å |
| 734 | S | 59.8 | Low | 52.6 | Low | 63 Ų | 63 | 65.1 Ų | 65.1 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 171.9 | 62 | 0 | 0 | 0 | 0 | 112.3 | S732 F737 E738 | S732-S734 PolarHBondContact O-N 3.21Å; S732-S734 VanDerWaalsContact O-N 3.1Å; S732-S734 PolarHBondContact OG-OG 3.33Å; S734-F737 PolarHBondContact O-N 2.99Å; S734-E738 PolarHBondContact O-N 2.86Å |
| 735 | G | 62.4 | Low | 53.7 | Low | 22 Ų | 22 | 63 Ų | 63 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S732 F737 E738 W739 | S732-G735 WeakPolarHBondContact O-CA 3.38Å; S732-G735 PolarHBondContact O-N 3.19Å; S732-G735 PolarHBondContact OG-N 2.8Å; G735-F737 VanDerWaalsContact C-N 3.31Å; G735-F737 PolarHBondContact O-N 3.26Å; G735-E738 PolarHBondContact O-N 3.48Å; G735-W739 WeakPolarHBondContact O-CB 3.38Å; G735-W739 PolarHBondContact O-N 3.1Å |
| 736 | K | 54 | Low | 54.5 | Low | 29 Ų | 29 | 61.5 Ų | 61.5 | 13% | 0.126 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 172.5 | -65.9 | 177.3 | -176.1 | 168.4 | 0 | 111.8 | L728 S731 S732 E733 L740 W863 | L728-K736 HydrophobicContact CD2-CG 4.33Å; L728-K736 WeakPolarHBondContact O-CE 3.37Å; S731-K736 WeakPolarHBondContact O-CE 3.36Å; S731-K736 WeakPolarHBondContact OG-CG 3.05Å; S732-K736 PolarHBondContact O-N 3.14Å; E733-K736 WeakPolarHBondContact OE1-CD 3.47Å; E733-K736 IonicContact OE1-NZ 2.78Å; E733-K736 PolarHBondContact OE1-NZ 3.28Å; K736-L740 PolarHBondContact O-N 3.12Å; K736-W863 HydrophobicContact CB-CZ2 4.38Å |
| 737 | F | 55.2 | Low | 55 | Low | 27 Ų | 27 | 55 Ų | 55 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.8 | -42.7 | 176.8 | -179.6 | -102.8 | 0 | 0 | 0 | 112.2 | E733 S734 G735 W739 L740 M741 A859 A860 W863 | E733-F737 PolarHBondContact O-N 3Å; E733-F737 VanDerWaalsContact O-N 3.12Å; S734-F737 PolarHBondContact O-N 2.99Å; G735-F737 VanDerWaalsContact C-N 3.31Å; G735-F737 PolarHBondContact O-N 3.26Å; F737-W739 VanDerWaalsContact C-N 3.31Å; F737-W739 PolarHBondContact O-N 3.31Å; F737-L740 HydrophobicContact CD2-CD2 4.41Å; F737-L740 HydrophobicContact CE2-CD2 4.42Å; F737-L740 PolarHBondContact O-N 2.97Å; F737-M741 HydrophobicContact CD1-CG 4.38Å; F737-M741 HydrophobicContact CE1-CG 3.87Å; F737-M741 HydrophobicContact CE2-CG 4.24Å; F737-M741 HydrophobicContact CE2-SD 4.38Å; F737-M741 HydrophobicContact CZ-CG 3.78Å; F737-M741 HydrophobicContact CZ-SD 4.01Å; F737-M741 WeakPolarHBondContact O-CG 3.26Å; F737-M741 PolarHBondContact O-N 3.48Å; F737-A859 HydrophobicContact CE2-CB 4.16Å; F737-A859 HydrophobicContact CZ-CB 4.1Å; F737-A860 HydrophobicContact CE1-CB 3.96Å; F737-A860 HydrophobicContact CE2-CB 4.2Å; F737-A860 VanDerWaalsContact CZ-CA 3.46Å; F737-A860 HydrophobicContact CZ-CB 3.64Å; F737-W863 HydrophobicContact CD2-CB 3.88Å; F737-W863 AromaticContact CD2-CD1 3.91Å; F737-W863 HydrophobicContact CD2-CD2 4.2Å; F737-W863 AromaticContact CD2-CG 3.72Å; F737-W863 HydrophobicContact CD2-CG 3.72Å; F737-W863 HydrophobicContact CE2-CB 4.06Å; F737-W863 HydrophobicContact CE2-CG 4.39Å |
| 738 | E | 63.6 | Low | 55.6 | Low | 139 Ų | 139 | 52.5 Ų | 52.5 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.3 | -42.4 | 174.1 | -76.2 | 177.8 | 176.3 | 0 | 0 | 111.7 | S734 G735 M741 E742 | S734-E738 PolarHBondContact O-N 2.86Å; G735-E738 PolarHBondContact O-N 3.48Å; E738-M741 PolarHBondContact O-N 2.77Å; E738-E742 PolarHBondContact O-N 3.4Å |
| 739 | W | 54.6 | Low | 56.5 | Low | 74 Ų | 74 | 57.7 Ų | 57.7 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.4 | -172.6 | 68.5 | 0 | 0 | 0 | 113.3 | L728 G735 F737 M741 E742 I743 L875 | L728-W739 HydrophobicContact CD1-CE3 4.43Å; L728-W739 HydrophobicContact CD1-CH2 3.93Å; L728-W739 HydrophobicContact CD1-CZ3 3.74Å; L728-W739 HydrophobicContact CD2-CD2 4.35Å; L728-W739 HydrophobicContact CD2-CE3 3.77Å; L728-W739 HydrophobicContact CD2-CZ3 3.93Å; L728-W739 HydrophobicContact CG-CZ3 4.41Å; G735-W739 WeakPolarHBondContact O-CB 3.38Å; G735-W739 PolarHBondContact O-N 3.1Å; F737-W739 VanDerWaalsContact C-N 3.31Å; F737-W739 PolarHBondContact O-N 3.31Å; W739-M741 VanDerWaalsContact C-N 3.33Å; W739-M741 PolarHBondContact O-N 2.99Å; W739-E742 PolarHBondContact O-N 2.84Å; W739-I743 HydrophobicContact CD2-CD1 3.89Å; W739-I743 HydrophobicContact CE3-CD1 3.85Å; W739-I743 HydrophobicContact CH2-CD1 3.66Å; W739-I743 HydrophobicContact CZ2-CD1 3.68Å; W739-I743 HydrophobicContact CZ3-CD1 3.74Å; W739-I743 WeakPolarHBondContact O-CG1 3.5Å; W739-I743 PolarHBondContact O-N 2.86Å; W739-I743 VanDerWaalsContact O-N 3.13Å; W739-L875 HydrophobicContact CE3-CD2 4.15Å; W739-L875 HydrophobicContact CZ3-CD2 3.99Å |
| 740 | L | 56.8 | Low | 56.8 | Low | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 172.8 | 177.5 | 111.1 | 0 | 0 | 0 | 110.9 | K736 F737 E742 I743 V744 W863 L875 L878 | K736-L740 PolarHBondContact O-N 3.12Å; F737-L740 HydrophobicContact CD2-CD2 4.41Å; F737-L740 HydrophobicContact CE2-CD2 4.42Å; F737-L740 PolarHBondContact O-N 2.97Å; L740-E742 VanDerWaalsContact C-N 3.31Å; L740-E742 PolarHBondContact O-N 3.26Å; L740-I743 PolarHBondContact O-N 3.24Å; L740-V744 VanDerWaalsContact O-CG2 3.31Å; L740-V744 WeakPolarHBondContact O-CG2 3.29Å; L740-V744 PolarHBondContact O-N 3.08Å; L740-W863 HydrophobicContact CD1-CE3 4.45Å; L740-W863 HydrophobicContact CD1-CH2 4.46Å; L740-W863 HydrophobicContact CD1-CZ3 3.86Å; L740-W863 HydrophobicContact CD2-CE3 4.34Å; L740-L875 HydrophobicContact CB-CD2 4.22Å; L740-L875 HydrophobicContact CD1-CD2 3.51Å; L740-L875 HydrophobicContact CD1-CG 4.35Å; L740-L875 HydrophobicContact CG-CD2 4.48Å; L740-L878 HydrophobicContact CD1-CD1 4.42Å |
| 741 | M | 61.9 | Low | 56.9 | Low | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 179.2 | -73.2 | -57.4 | -50.5 | 0 | 0 | 111.8 | F737 E738 W739 V744 L745 W850 K856 A859 | F737-M741 HydrophobicContact CD1-CG 4.38Å; F737-M741 HydrophobicContact CE1-CG 3.87Å; F737-M741 HydrophobicContact CE2-CG 4.24Å; F737-M741 HydrophobicContact CE2-SD 4.38Å; F737-M741 HydrophobicContact CZ-CG 3.78Å; F737-M741 HydrophobicContact CZ-SD 4.01Å; F737-M741 WeakPolarHBondContact O-CG 3.26Å; F737-M741 PolarHBondContact O-N 3.48Å; E738-M741 PolarHBondContact O-N 2.77Å; W739-M741 VanDerWaalsContact C-N 3.33Å; W739-M741 PolarHBondContact O-N 2.99Å; M741-V744 PolarHBondContact O-N 2.86Å; M741-L745 WeakPolarHBondContact O-CB 3.46Å; M741-L745 WeakPolarHBondContact O-CG 3.47Å; M741-L745 PolarHBondContact O-N 2.62Å; M741-W850 HydrophobicContact CE-CB 4.34Å; M741-W850 HydrophobicContact CE-CE3 4.38Å; M741-K856 HydrophobicContact CE-CG 4.16Å; M741-A859 HydrophobicContact SD-CB 4.13Å |
| 742 | E | 64.9 | Low | 57.5 | Low | 113 Ų | 113 | 55.6 Ų | 55.6 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.2 | -167.1 | -175.9 | 170.2 | 0 | 0 | 112.3 | E738 W739 L740 V744 L745 N746 | E738-E742 PolarHBondContact O-N 3.4Å; W739-E742 PolarHBondContact O-N 2.84Å; L740-E742 VanDerWaalsContact C-N 3.31Å; L740-E742 PolarHBondContact O-N 3.26Å; E742-V744 PolarHBondContact O-N 3.26Å; E742-L745 PolarHBondContact O-N 2.92Å; E742-N746 WeakPolarHBondContact O-CB 3.21Å; E742-N746 VanDerWaalsContact O-CG 3.31Å; E742-N746 PolarHBondContact O-N 3.1Å; E742-N746 PolarHBondContact O-ND2 3.09Å |
| 743 | I | 57.5 | Low | 57.5 | Low | 37 Ų | 37 | 58.4 Ų | 58.4 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.1 | -66.4 | 170.2 | 0 | 0 | 0 | 111.3 | W739 L740 N746 A747 V882 | W739-I743 HydrophobicContact CD2-CD1 3.89Å; W739-I743 HydrophobicContact CE3-CD1 3.85Å; W739-I743 HydrophobicContact CH2-CD1 3.66Å; W739-I743 HydrophobicContact CZ2-CD1 3.68Å; W739-I743 HydrophobicContact CZ3-CD1 3.74Å; W739-I743 WeakPolarHBondContact O-CG1 3.5Å; W739-I743 PolarHBondContact O-N 2.86Å; W739-I743 VanDerWaalsContact O-N 3.13Å; L740-I743 PolarHBondContact O-N 3.24Å; I743-N746 PolarHBondContact O-N 3.41Å; I743-A747 WeakPolarHBondContact O-CB 3.36Å; I743-A747 PolarHBondContact O-N 3.37Å; I743-V882 HydrophobicContact CG2-CG2 4.32Å |
| 744 | V | 52.5 | Low | 57.2 | Low | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -179.4 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | L740 M741 E742 A747 A748 W850 L878 | L740-V744 VanDerWaalsContact O-CG2 3.31Å; L740-V744 WeakPolarHBondContact O-CG2 3.29Å; L740-V744 PolarHBondContact O-N 3.08Å; M741-V744 PolarHBondContact O-N 2.86Å; E742-V744 PolarHBondContact O-N 3.26Å; V744-A747 PolarHBondContact O-N 3.08Å; V744-A748 WeakPolarHBondContact O-CB 3.34Å; V744-A748 PolarHBondContact O-N 3.46Å; V744-W850 HydrophobicContact CG1-CB 4.31Å; V744-W850 HydrophobicContact CG1-CD2 3.54Å; V744-W850 HydrophobicContact CG1-CE3 4.12Å; V744-W850 HydrophobicContact CG1-CG 3.61Å; V744-W850 HydrophobicContact CG1-CZ2 4.12Å; V744-L878 HydrophobicContact CG2-CD2 3.71Å |
| 745 | L | 62.8 | Low | 56.9 | Low | 45 Ų | 45 | 58.7 Ų | 58.7 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 177.9 | -71.7 | 173.2 | 0 | 0 | 0 | 111.9 | M741 E742 A747 A748 E749 W850 D851 | M741-L745 WeakPolarHBondContact O-CB 3.46Å; M741-L745 WeakPolarHBondContact O-CG 3.47Å; M741-L745 PolarHBondContact O-N 2.62Å; E742-L745 PolarHBondContact O-N 2.92Å; L745-A747 PolarHBondContact O-N 3.49Å; L745-A748 WeakPolarHBondContact O-CB 3.45Å; L745-A748 PolarHBondContact O-N 2.63Å; L745-E749 PolarHBondContact O-N 3.06Å; L745-E749 VanDerWaalsContact O-N 3.1Å; L745-W850 HydrophobicContact CD2-CB 3.8Å; L745-D851 WeakPolarHBondContact CD2-OD1 3.33Å |
| 746 | N | 58.8 | Low | 56.9 | Low | 75 Ų | 75 | 62.6 Ų | 62.6 | 40% | 0.401 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.1 | -71.9 | -25.5 | 0 | 0 | 0 | 112.1 | E742 I743 A748 E749 D750 | E742-N746 WeakPolarHBondContact O-CB 3.21Å; E742-N746 VanDerWaalsContact O-CG 3.31Å; E742-N746 PolarHBondContact O-N 3.1Å; E742-N746 PolarHBondContact O-ND2 3.09Å; I743-N746 PolarHBondContact O-N 3.41Å; N746-A748 VanDerWaalsContact C-N 3.31Å; N746-A748 PolarHBondContact O-N 2.93Å; N746-E749 PolarHBondContact O-N 3.28Å; N746-D750 PolarHBondContact O-N 3.28Å |
| 747 | A | 52.7 | Low | 56.9 | Low | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -32.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | I743 V744 L745 V751 L846 V882 | I743-A747 WeakPolarHBondContact O-CB 3.36Å; I743-A747 PolarHBondContact O-N 3.37Å; V744-A747 PolarHBondContact O-N 3.08Å; L745-A747 PolarHBondContact O-N 3.49Å; A747-V751 VanDerWaalsContact O-CG2 3.3Å; A747-V751 WeakPolarHBondContact O-CG2 3.3Å; A747-V751 PolarHBondContact O-N 3.17Å; A747-V751 VanDerWaalsContact O-N 3.1Å; A747-L846 HydrophobicContact CB-CD2 4.24Å; A747-V882 HydrophobicContact CB-CB 4.42Å; A747-V882 HydrophobicContact CB-CG1 4Å; A747-V882 HydrophobicContact CB-CG2 3.54Å |
| 748 | A | 54.2 | Low | 56.8 | Low | 27 Ų | 27 | 69.6 Ų | 69.6 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.7 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V744 L745 N746 V751 K752 | V744-A748 WeakPolarHBondContact O-CB 3.34Å; V744-A748 PolarHBondContact O-N 3.46Å; L745-A748 WeakPolarHBondContact O-CB 3.45Å; L745-A748 PolarHBondContact O-N 2.63Å; N746-A748 VanDerWaalsContact C-N 3.31Å; N746-A748 PolarHBondContact O-N 2.93Å; A748-V751 PolarHBondContact O-N 3.28Å; A748-K752 PolarHBondContact O-N 3.06Å; A748-K752 VanDerWaalsContact O-N 3.14Å |
| 749 | E | 60.9 | Low | 56.5 | Low | 139 Ų | 139 | 68.8 Ų | 68.8 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.4 | -46.2 | 171.9 | -71.5 | -144.1 | 137 | 0 | 0 | 112.2 | L745 N746 V751 K752 E753 | L745-E749 PolarHBondContact O-N 3.06Å; L745-E749 VanDerWaalsContact O-N 3.1Å; N746-E749 PolarHBondContact O-N 3.28Å; E749-V751 VanDerWaalsContact C-N 3.26Å; E749-V751 PolarHBondContact O-N 3.48Å; E749-K752 WeakPolarHBondContact O-CA 3.29Å; E749-K752 WeakPolarHBondContact O-CB 3.45Å; E749-K752 PolarHBondContact O-N 3.2Å; E749-E753 PolarHBondContact O-N 3.18Å |
| 750 | D | 53.4 | Low | 56.8 | Low | 42 Ų | 42 | 70.7 Ų | 70.7 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.2 | -41.1 | 176.6 | -69.3 | -13.1 | 0 | 0 | 0 | 111.4 | N746 K752 L754 R886 | N746-D750 PolarHBondContact O-N 3.28Å; D750-K752 VanDerWaalsContact C-N 3.33Å; D750-K752 PolarHBondContact O-N 3.14Å; D750-L754 WeakPolarHBondContact O-CB 3.5Å; D750-L754 PolarHBondContact O-N 2.89Å; D750-R886 IonicContact OD1-NH2 2.86Å; D750-R886 IonicContact OD2-CZ 3.79Å; D750-R886 VanDerWaalsContact OD2-CZ 3.29Å; D750-R886 IonicContact OD2-NE 3.91Å; D750-R886 PolarHBondContact OD2-NE 3.38Å; D750-R886 IonicContact OD2-NH2 3.29Å; D750-R886 PolarHBondContact OD2-NH2 3.11Å |
| 751 | V | 50.5 | Low | 56.5 | Low | 23 Ų | 23 | 73.9 Ų | 73.9 | 14% | 0.139 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.9 | -31.9 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 112.3 | A747 A748 E749 L754 Q755 L846 | A747-V751 VanDerWaalsContact O-CG2 3.3Å; A747-V751 WeakPolarHBondContact O-CG2 3.3Å; A747-V751 PolarHBondContact O-N 3.17Å; A747-V751 VanDerWaalsContact O-N 3.1Å; A748-V751 PolarHBondContact O-N 3.28Å; E749-V751 VanDerWaalsContact C-N 3.26Å; E749-V751 PolarHBondContact O-N 3.48Å; V751-L754 VanDerWaalsContact O-CB 3.29Å; V751-L754 WeakPolarHBondContact O-CB 3.44Å; V751-Q755 WeakPolarHBondContact O-CG 3.33Å; V751-Q755 PolarHBondContact O-N 2.77Å; V751-Q755 VanDerWaalsContact O-N 3.13Å; V751-L846 HydrophobicContact CG2-CB 4.49Å; V751-L846 HydrophobicContact CG2-CD1 4.34Å |
| 752 | K | 58.9 | Low | 55.9 | Low | 140 Ų | 140 | 77 Ų | 77 | 61% | 0.609 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.2 | -43 | 177.3 | -166.8 | 180 | 179.1 | -175.5 | 0 | 111 | A748 E749 D750 L754 Q755 L756 | A748-K752 PolarHBondContact O-N 3.06Å; A748-K752 VanDerWaalsContact O-N 3.14Å; E749-K752 WeakPolarHBondContact O-CA 3.29Å; E749-K752 WeakPolarHBondContact O-CB 3.45Å; E749-K752 PolarHBondContact O-N 3.2Å; D750-K752 VanDerWaalsContact C-N 3.33Å; D750-K752 PolarHBondContact O-N 3.14Å; K752-L754 VanDerWaalsContact C-N 3.29Å; K752-L754 PolarHBondContact O-N 3.3Å; K752-Q755 PolarHBondContact O-N 2.88Å; K752-L756 PolarHBondContact O-N 2.71Å |
| 753 | E | 57.4 | Low | 55.7 | Low | 133 Ų | 133 | 74.4 Ų | 74.4 | 62% | 0.621 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.7 | -39.5 | 173 | -169.3 | 178.4 | 179.4 | 0 | 0 | 111.7 | E749 Q755 L756 T757 | E749-E753 PolarHBondContact O-N 3.18Å; E753-Q755 PolarHBondContact O-N 2.79Å; E753-L756 WeakPolarHBondContact O-CB 3.35Å; E753-L756 PolarHBondContact O-N 3.07Å; E753-T757 PolarHBondContact O-N 3.35Å; E753-T757 PolarHBondContact O-OG1 3.12Å |
| 754 | L | 49.6 | Very low | 55.5 | Low | 36 Ų | 36 | 75.1 Ų | 75.1 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 173.8 | -97.4 | 166.9 | 0 | 0 | 0 | 114.7 | D750 V751 K752 T757 K758 L889 | D750-L754 WeakPolarHBondContact O-CB 3.5Å; D750-L754 PolarHBondContact O-N 2.89Å; V751-L754 VanDerWaalsContact O-CB 3.29Å; V751-L754 WeakPolarHBondContact O-CB 3.44Å; K752-L754 VanDerWaalsContact C-N 3.29Å; K752-L754 PolarHBondContact O-N 3.3Å; L754-T757 WeakPolarHBondContact CA-OG1 3.11Å; L754-T757 PolarHBondContact O-OG1 3.26Å; L754-K758 WeakPolarHBondContact O-CB 3.41Å; L754-K758 PolarHBondContact O-N 3.48Å; L754-L889 HydrophobicContact CD1-CD1 4.05Å; L754-L889 HydrophobicContact CD2-CD1 3.05Å; L754-L889 HydrophobicContact CD2-CG 4.43Å; L754-L889 HydrophobicContact CG-CD1 3.37Å |
| 755 | Q | 52.5 | Low | 55.2 | Low | 92 Ų | 92 | 77.9 Ų | 77.9 | 43% | 0.43 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 178 | -76.2 | 177.6 | 8.7 | 0 | 0 | 110.5 | V751 K752 E753 K758 E759 | V751-Q755 WeakPolarHBondContact O-CG 3.33Å; V751-Q755 PolarHBondContact O-N 2.77Å; V751-Q755 VanDerWaalsContact O-N 3.13Å; K752-Q755 PolarHBondContact O-N 2.88Å; E753-Q755 PolarHBondContact O-N 2.79Å; Q755-K758 PolarHBondContact O-N 3.07Å; Q755-E759 WeakPolarHBondContact O-CG 3.4Å; Q755-E759 PolarHBondContact O-N 3.47Å |
| 756 | L | 61.9 | Low | 54.8 | Low | 104 Ų | 104 | 84.4 Ų | 84.4 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 173.8 | -80.5 | 156.8 | 0 | 0 | 0 | 111.8 | K752 E753 K758 E759 D760 | K752-L756 PolarHBondContact O-N 2.71Å; E753-L756 WeakPolarHBondContact O-CB 3.35Å; E753-L756 PolarHBondContact O-N 3.07Å; L756-K758 VanDerWaalsContact C-N 3.3Å; L756-K758 PolarHBondContact O-N 3.25Å; L756-E759 PolarHBondContact O-N 2.98Å; L756-E759 VanDerWaalsContact O-N 3.16Å; L756-D760 PolarHBondContact O-N 3.16Å |
| 757 | T | 53.9 | Low | 54.8 | Low | 80 Ų | 80 | 88.3 Ų | 88.3 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.5 | -37 | 177.8 | 11.2 | 0 | 0 | 0 | 0 | 112.5 | E753 L754 L761 | E753-T757 PolarHBondContact O-N 3.35Å; E753-T757 PolarHBondContact O-OG1 3.12Å; L754-T757 WeakPolarHBondContact CA-OG1 3.11Å; L754-T757 PolarHBondContact O-OG1 3.26Å; T757-L761 WeakPolarHBondContact O-CB 3.39Å; T757-L761 PolarHBondContact O-N 3.49Å |
| 758 | K | 53.9 | Low | 54.5 | Low | 123 Ų | 123 | 90.5 Ų | 90.5 | 54% | 0.535 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 175.2 | -178 | -171.2 | 172.2 | -170.5 | 0 | 111.5 | L754 Q755 L756 L761 L762 | L754-K758 WeakPolarHBondContact O-CB 3.41Å; L754-K758 PolarHBondContact O-N 3.48Å; Q755-K758 PolarHBondContact O-N 3.07Å; L756-K758 VanDerWaalsContact C-N 3.3Å; L756-K758 PolarHBondContact O-N 3.25Å; K758-L761 PolarHBondContact O-N 3.2Å; K758-L762 HydrophobicContact CG-CD1 4.17Å; K758-L762 WeakPolarHBondContact O-CB 3.06Å; K758-L762 WeakPolarHBondContact O-CG 2.94Å; K758-L762 PolarHBondContact O-N 3.2Å |
| 759 | E | 58.1 | Low | 54.2 | Low | 122 Ų | 122 | 93.5 Ų | 93.5 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 177.7 | -75.6 | -177.4 | 174.8 | 0 | 0 | 111.9 | Q755 L756 L762 S763 | Q755-E759 WeakPolarHBondContact O-CG 3.4Å; Q755-E759 PolarHBondContact O-N 3.47Å; L756-E759 PolarHBondContact O-N 2.98Å; L756-E759 VanDerWaalsContact O-N 3.16Å; E759-L762 PolarHBondContact O-N 2.66Å; E759-S763 VanDerWaalsContact O-CB 3.31Å; E759-S763 WeakPolarHBondContact O-CB 3.28Å; E759-S763 PolarHBondContact O-N 2.97Å; E759-S763 PolarHBondContact O-OG 3.44Å |
| 760 | D | 60.1 | Low | 53.7 | Low | 115 Ų | 115 | 90.6 Ų | 90.6 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 173.5 | -84.7 | -14.4 | 0 | 0 | 0 | 112.3 | L756 S763 S764 | L756-D760 PolarHBondContact O-N 3.16Å; D760-S763 WeakPolarHBondContact O-CB 3.03Å; D760-S763 PolarHBondContact O-N 3.26Å; D760-S764 WeakPolarHBondContact O-CB 3.39Å; D760-S764 PolarHBondContact O-N 2.95Å |
| 761 | L | 50.2 | Low | 53.7 | Low | 80 Ų | 80 | 92.9 Ų | 92.9 | 42% | 0.419 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 177.2 | -162.7 | 87.4 | 0 | 0 | 0 | 111.4 | T757 K758 S763 S764 I765 | T757-L761 WeakPolarHBondContact O-CB 3.39Å; T757-L761 PolarHBondContact O-N 3.49Å; K758-L761 PolarHBondContact O-N 3.2Å; L761-S763 VanDerWaalsContact C-N 3.32Å; L761-S763 PolarHBondContact O-N 2.67Å; L761-S764 WeakPolarHBondContact O-CB 3.28Å; L761-S764 PolarHBondContact O-N 3.16Å; L761-I765 HydrophobicContact CD2-CD1 4.26Å; L761-I765 HydrophobicContact CG-CD1 4.26Å; L761-I765 WeakPolarHBondContact O-CG1 3.41Å; L761-I765 PolarHBondContact O-N 3.45Å |
| 762 | L | 50.1 | Low | 53.4 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 43% | 0.429 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.9 | -86.2 | 166.8 | 0 | 0 | 0 | 111.5 | K758 E759 S764 I765 R766 | K758-L762 HydrophobicContact CG-CD1 4.17Å; K758-L762 WeakPolarHBondContact O-CB 3.06Å; K758-L762 WeakPolarHBondContact O-CG 2.94Å; K758-L762 PolarHBondContact O-N 3.2Å; E759-L762 PolarHBondContact O-N 2.66Å; L762-S764 VanDerWaalsContact C-N 3.33Å; L762-I765 PolarHBondContact O-N 2.93Å; L762-R766 WeakPolarHBondContact O-CB 3.5Å; L762-R766 WeakPolarHBondContact O-CG 3.27Å; L762-R766 PolarHBondContact O-N 3.39Å |
| 763 | S | 60.3 | Low | 52.9 | Low | 58 Ų | 58 | 91.6 Ų | 91.6 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 175.5 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | E759 D760 L761 R767 | E759-S763 VanDerWaalsContact O-CB 3.31Å; E759-S763 WeakPolarHBondContact O-CB 3.28Å; E759-S763 PolarHBondContact O-N 2.97Å; E759-S763 PolarHBondContact O-OG 3.44Å; D760-S763 WeakPolarHBondContact O-CB 3.03Å; D760-S763 PolarHBondContact O-N 3.26Å; L761-S763 VanDerWaalsContact C-N 3.32Å; L761-S763 PolarHBondContact O-N 2.67Å; S763-R767 WeakPolarHBondContact O-CB 3.44Å; S763-R767 PolarHBondContact O-N 3.19Å |
| 764 | S | 53.2 | Low | 52.7 | Low | 52 Ų | 52 | 90 Ų | 90 | 36% | 0.364 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 174.3 | -168.6 | 0 | 0 | 0 | 0 | 112.4 | D760 L761 L762 R767 S768 | D760-S764 WeakPolarHBondContact O-CB 3.39Å; D760-S764 PolarHBondContact O-N 2.95Å; L761-S764 WeakPolarHBondContact O-CB 3.28Å; L761-S764 PolarHBondContact O-N 3.16Å; L762-S764 VanDerWaalsContact C-N 3.33Å; S764-R767 WeakPolarHBondContact O-CB 3.29Å; S764-R767 PolarHBondContact O-N 3.38Å; S764-S768 PolarHBondContact O-N 3.49Å; S764-S768 PolarHBondContact O-OG 3.15Å |
| 765 | I | 46.8 | Very low | 52.6 | Low | 64 Ų | 64 | 92.6 Ų | 92.6 | 33% | 0.328 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 177 | -69.5 | 166.4 | 0 | 0 | 0 | 110.5 | L761 L762 R767 S768 L769 | L761-I765 HydrophobicContact CD2-CD1 4.26Å; L761-I765 HydrophobicContact CG-CD1 4.26Å; L761-I765 WeakPolarHBondContact O-CG1 3.41Å; L761-I765 PolarHBondContact O-N 3.45Å; L762-I765 PolarHBondContact O-N 2.93Å; I765-R767 VanDerWaalsContact C-N 3.29Å; I765-R767 PolarHBondContact O-N 3.2Å; I765-S768 PolarHBondContact O-N 2.85Å; I765-L769 HydrophobicContact CG2-CD1 3.87Å; I765-L769 HydrophobicContact CG2-CG 4.33Å; I765-L769 WeakPolarHBondContact O-CB 3.5Å; I765-L769 WeakPolarHBondContact O-CG 3.37Å; I765-L769 PolarHBondContact O-N 2.89Å |
| 766 | R | 54.3 | Low | 52.2 | Low | 181 Ų | 181 | 91.9 Ų | 91.9 | 68% | 0.683 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.1 | -42.5 | 175.2 | -79.9 | -180 | 176 | -178 | -0.9 | 111.4 | L762 L769 C770 | L762-R766 WeakPolarHBondContact O-CB 3.5Å; L762-R766 WeakPolarHBondContact O-CG 3.27Å; L762-R766 PolarHBondContact O-N 3.39Å; R766-L769 PolarHBondContact O-N 3.3Å; R766-C770 WeakPolarHBondContact O-CB 3.46Å; R766-C770 PolarHBondContact O-N 3.07Å |
| 767 | R | 58.5 | Low | 51.6 | Low | 158 Ų | 158 | 89.5 Ų | 89.5 | 60% | 0.596 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.3 | -48 | 176 | -160.3 | -176.8 | -58.7 | 113.6 | -0.5 | 111.2 | S763 S764 I765 L769 C770 T771 | S763-R767 WeakPolarHBondContact O-CB 3.44Å; S763-R767 PolarHBondContact O-N 3.19Å; S764-R767 WeakPolarHBondContact O-CB 3.29Å; S764-R767 PolarHBondContact O-N 3.38Å; I765-R767 VanDerWaalsContact C-N 3.29Å; I765-R767 PolarHBondContact O-N 3.2Å; R767-L769 PolarHBondContact O-N 2.85Å; R767-C770 PolarHBondContact O-N 2.89Å; R767-T771 PolarHBondContact O-N 2.99Å; R767-T771 PolarHBondContact O-OG1 3.29Å |
| 768 | S | 46.7 | Very low | 51.4 | Low | 50 Ų | 50 | 90.3 Ų | 90.3 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | S764 I765 T771 L772 | S764-S768 PolarHBondContact O-N 3.49Å; S764-S768 PolarHBondContact O-OG 3.15Å; I765-S768 PolarHBondContact O-N 2.85Å; S768-T771 PolarHBondContact O-N 3.4Å; S768-L772 WeakPolarHBondContact O-CB 3.41Å; S768-L772 PolarHBondContact O-N 3Å |
| 769 | L | 46.9 | Very low | 50.9 | Low | 89 Ų | 89 | 88 Ų | 88 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 176.1 | -73 | 171.1 | 0 | 0 | 0 | 112 | I765 R766 R767 L772 A773 | I765-L769 HydrophobicContact CG2-CD1 3.87Å; I765-L769 HydrophobicContact CG2-CG 4.33Å; I765-L769 WeakPolarHBondContact O-CB 3.5Å; I765-L769 WeakPolarHBondContact O-CG 3.37Å; I765-L769 PolarHBondContact O-N 2.89Å; R766-L769 PolarHBondContact O-N 3.3Å; R767-L769 PolarHBondContact O-N 2.85Å; L769-L772 PolarHBondContact O-N 3.07Å; L769-A773 WeakPolarHBondContact O-CB 3.41Å; L769-A773 PolarHBondContact O-N 3.45Å |
| 770 | C | 51.3 | Low | 50.1 | Low | 79 Ų | 79 | 86.6 Ų | 86.6 | 53% | 0.534 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 171.9 | -83.4 | 0 | 0 | 0 | 0 | 111.7 | R766 R767 L772 A773 I774 | R766-C770 WeakPolarHBondContact O-CB 3.46Å; R766-C770 PolarHBondContact O-N 3.07Å; R767-C770 PolarHBondContact O-N 2.89Å; C770-L772 VanDerWaalsContact C-N 3.32Å; C770-L772 PolarHBondContact O-N 3.33Å; C770-A773 PolarHBondContact O-N 3.44Å; C770-I774 VanDerWaalsContact O-CG1 3.32Å; C770-I774 WeakPolarHBondContact O-CG1 3.34Å; C770-I774 PolarHBondContact O-N 3.03Å |
| 771 | T | 53.5 | Low | 49.1 | Very low | 89 Ų | 89 | 84.7 Ų | 84.7 | 55% | 0.546 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 175.7 | -49.8 | 0 | 0 | 0 | 0 | 111.6 | R767 S768 I774 H775 | R767-T771 PolarHBondContact O-N 2.99Å; R767-T771 PolarHBondContact O-OG1 3.29Å; S768-T771 PolarHBondContact O-N 3.4Å; T771-I774 PolarHBondContact O-N 3.38Å; T771-H775 WeakPolarHBondContact O-CB 3.37Å; T771-H775 PolarHBondContact O-N 3.34Å |
| 772 | L | 42.9 | Very low | 48.8 | Very low | 78 Ų | 78 | 89.9 Ų | 89.9 | 41% | 0.408 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.1 | -159.6 | 86 | 0 | 0 | 0 | 111.7 | S768 L769 C770 H775 N776 | S768-L772 WeakPolarHBondContact O-CB 3.41Å; S768-L772 PolarHBondContact O-N 3Å; L769-L772 PolarHBondContact O-N 3.07Å; C770-L772 VanDerWaalsContact C-N 3.32Å; C770-L772 PolarHBondContact O-N 3.33Å; L772-H775 PolarHBondContact O-N 3.48Å; L772-N776 WeakPolarHBondContact O-CB 3.27Å; L772-N776 VanDerWaalsContact O-CG 3.22Å; L772-N776 PolarHBondContact O-N 2.98Å; L772-N776 PolarHBondContact O-ND2 3.3Å |
| 773 | A | 48 | Very low | 48.5 | Very low | 58 Ų | 58 | 93.5 Ų | 93.5 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L769 C770 N776 A777 | L769-A773 WeakPolarHBondContact O-CB 3.41Å; L769-A773 PolarHBondContact O-N 3.45Å; C770-A773 PolarHBondContact O-N 3.44Å; A773-N776 PolarHBondContact O-N 3.5Å; A773-A777 WeakPolarHBondContact O-CB 3.1Å; A773-A777 PolarHBondContact O-N 3.4Å |
| 774 | I | 53.1 | Low | 47.4 | Very low | 101 Ų | 101 | 97.4 Ų | 97.4 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 173.3 | -67 | 165 | 0 | 0 | 0 | 110 | C770 T771 N776 A777 E778 | C770-I774 VanDerWaalsContact O-CG1 3.32Å; C770-I774 WeakPolarHBondContact O-CG1 3.34Å; C770-I774 PolarHBondContact O-N 3.03Å; T771-I774 PolarHBondContact O-N 3.38Å; I774-N776 VanDerWaalsContact C-N 3.35Å; I774-N776 PolarHBondContact O-N 3.01Å; I774-A777 WeakPolarHBondContact O-CB 3.44Å; I774-A777 PolarHBondContact O-N 3Å; I774-A777 VanDerWaalsContact O-N 3.16Å; I774-E778 HydrophobicContact CG2-CG 4.5Å; I774-E778 WeakPolarHBondContact O-CG 3.37Å; I774-E778 PolarHBondContact O-N 2.92Å |
| 775 | H | 47.3 | Very low | 46.4 | Very low | 90 Ų | 90 | 98.6 Ų | 98.6 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 178.8 | -174.1 | 62.4 | 0 | 0 | 0 | 112.8 | T771 L772 A777 E778 M779 | T771-H775 WeakPolarHBondContact O-CB 3.37Å; T771-H775 PolarHBondContact O-N 3.34Å; L772-H775 PolarHBondContact O-N 3.48Å; H775-A777 VanDerWaalsContact C-N 3.34Å; H775-E778 IonicContact ND1-OE2 3.5Å; H775-E778 PolarHBondContact O-N 2.86Å; H775-M779 WeakPolarHBondContact O-CG 3.17Å; H775-M779 PolarHBondContact O-N 3.36Å |
| 776 | N | 44.7 | Very low | 45.4 | Very low | 76 Ų | 76 | 101.6 Ų | 101.6 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 175.8 | -72.9 | -14.2 | 0 | 0 | 0 | 111.4 | L772 A773 I774 M779 I780 | L772-N776 WeakPolarHBondContact O-CB 3.27Å; L772-N776 VanDerWaalsContact O-CG 3.22Å; L772-N776 PolarHBondContact O-N 2.98Å; L772-N776 PolarHBondContact O-ND2 3.3Å; A773-N776 PolarHBondContact O-N 3.5Å; I774-N776 VanDerWaalsContact C-N 3.35Å; I774-N776 PolarHBondContact O-N 3.01Å; N776-M779 PolarHBondContact O-N 3.05Å; N776-I780 WeakPolarHBondContact O-CB 3.41Å; N776-I780 WeakPolarHBondContact O-CD1 3.35Å; N776-I780 WeakPolarHBondContact O-CG1 3.19Å; N776-I780 PolarHBondContact O-N 3.36Å |
| 777 | A | 49.5 | Very low | 44 | Very low | 54 Ų | 54 | 99.1 Ų | 99.1 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A773 I774 H775 M779 I780 E781 | A773-A777 WeakPolarHBondContact O-CB 3.1Å; A773-A777 PolarHBondContact O-N 3.4Å; I774-A777 WeakPolarHBondContact O-CB 3.44Å; I774-A777 PolarHBondContact O-N 3Å; I774-A777 VanDerWaalsContact O-N 3.16Å; H775-A777 VanDerWaalsContact C-N 3.34Å; A777-M779 VanDerWaalsContact C-N 3.34Å; A777-M779 PolarHBondContact O-N 3.4Å; A777-I780 PolarHBondContact O-N 3.06Å; A777-E781 WeakPolarHBondContact O-CG 3.5Å; A777-E781 PolarHBondContact O-N 2.88Å |
| 778 | E | 49 | Very low | 42.5 | Very low | 97 Ų | 97 | 100 Ų | 100 | 45% | 0.453 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 175 | -71.3 | 174.5 | 172.8 | 0 | 0 | 112.8 | I774 H775 E781 R782 | I774-E778 HydrophobicContact CG2-CG 4.5Å; I774-E778 WeakPolarHBondContact O-CG 3.37Å; I774-E778 PolarHBondContact O-N 2.92Å; H775-E778 IonicContact ND1-OE2 3.5Å; H775-E778 PolarHBondContact O-N 2.86Å; E778-E781 PolarHBondContact O-N 3.46Å; E778-R782 PolarHBondContact O-N 3.26Å |
| 779 | M | 44.2 | Very low | 41.6 | Very low | 76 Ų | 76 | 105.1 Ų | 105.1 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.7 | -41.8 | 176.4 | -76.1 | -64.6 | -62.2 | 0 | 0 | 111.7 | H775 N776 A777 E781 R782 E783 | H775-M779 WeakPolarHBondContact O-CG 3.17Å; H775-M779 PolarHBondContact O-N 3.36Å; N776-M779 PolarHBondContact O-N 3.05Å; A777-M779 VanDerWaalsContact C-N 3.34Å; A777-M779 PolarHBondContact O-N 3.4Å; M779-E781 VanDerWaalsContact C-N 3.3Å; M779-E781 PolarHBondContact O-N 2.87Å; M779-R782 PolarHBondContact O-N 3.4Å; M779-E783 PolarHBondContact O-N 3.32Å |
| 780 | I | 41.2 | Very low | 40.6 | Very low | 92 Ų | 92 | 106.6 Ų | 106.6 | 47% | 0.472 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.6 | -36.4 | 174 | -68.1 | 164.2 | 0 | 0 | 0 | 110.7 | N776 A777 E783 K784 | N776-I780 WeakPolarHBondContact O-CB 3.41Å; N776-I780 WeakPolarHBondContact O-CD1 3.35Å; N776-I780 WeakPolarHBondContact O-CG1 3.19Å; N776-I780 PolarHBondContact O-N 3.36Å; A777-I780 PolarHBondContact O-N 3.06Å; I780-E783 PolarHBondContact O-N 2.87Å; I780-K784 HydrophobicContact CG2-CD 4.3Å; I780-K784 WeakPolarHBondContact O-CB 3.32Å; I780-K784 PolarHBondContact O-N 3.24Å; I780-K784 VanDerWaalsContact O-N 3.17Å |
| 781 | E | 38.4 | Very low | 39.5 | Very low | 75 Ų | 75 | 111.1 Ų | 111.1 | 35% | 0.35 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.9 | -42.4 | 174.6 | -77.3 | -150.6 | 155.6 | 0 | 0 | 112.5 | A777 E778 M779 E783 K784 G785 F788 | A777-E781 WeakPolarHBondContact O-CG 3.5Å; A777-E781 PolarHBondContact O-N 2.88Å; E778-E781 PolarHBondContact O-N 3.46Å; M779-E781 VanDerWaalsContact C-N 3.3Å; M779-E781 PolarHBondContact O-N 2.87Å; E781-E783 VanDerWaalsContact C-N 3.25Å; E781-E783 PolarHBondContact O-N 3.31Å; E781-K784 PolarHBondContact O-N 3.48Å; E781-K784 VanDerWaalsContact O-N 3.13Å; E781-G785 PolarHBondContact O-N 3.06Å; E781-F788 PolarHBondContact OE1-N 3.17Å |
| 782 | R | 44.9 | Very low | 38.2 | Very low | 188 Ų | 188 | 111.4 Ų | 111.4 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.3 | -38.3 | 174.5 | -83.1 | -171.9 | -169.2 | 143.2 | 5.1 | 112.3 | E778 M779 | E778-R782 PolarHBondContact O-N 3.26Å; M779-R782 PolarHBondContact O-N 3.4Å |
| 783 | E | 43.4 | Very low | 37.3 | Very low | 158 Ų | 158 | 112 Ų | 112 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.3 | -24.8 | 178.4 | -76 | -171.8 | 160.2 | 0 | 0 | 113.4 | M779 I780 E781 | M779-E783 PolarHBondContact O-N 3.32Å; I780-E783 PolarHBondContact O-N 2.87Å; E781-E783 VanDerWaalsContact C-N 3.25Å; E781-E783 PolarHBondContact O-N 3.31Å |
| 784 | K | 36.7 | Very low | 36.2 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 61% | 0.613 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -113.2 | -1.8 | -170.1 | -69.7 | -172.7 | 177 | 179.3 | 0 | 116.2 | I780 E781 L786 | I780-K784 HydrophobicContact CG2-CD 4.3Å; I780-K784 WeakPolarHBondContact O-CB 3.32Å; I780-K784 PolarHBondContact O-N 3.24Å; I780-K784 VanDerWaalsContact O-N 3.17Å; E781-K784 PolarHBondContact O-N 3.48Å; E781-K784 VanDerWaalsContact O-N 3.13Å; K784-L786 WeakPolarHBondContact O-CG 3.46Å; K784-L786 PolarHBondContact O-N 3.04Å |
| 785 | G | 32.7 | Very low | 34.7 | Very low | 76 Ų | 76 | 121 Ų | 121 | 78% | 0.784 | 64% | 0.641 | S | S | * | * | trans | 56.8 | 19.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E781 | E781-G785 PolarHBondContact O-N 3.06Š| ||
| 786 | L | 26.3 | Very low | 33.7 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 67% | 0.665 | 65% | 0.653 | S | S | * | * | trans | -123.2 | 111.5 | -172.7 | -81.9 | 160.6 | 0 | 0 | 0 | 108.4 | K784 | K784-L786 WeakPolarHBondContact O-CG 3.46Å; K784-L786 PolarHBondContact O-N 3.04Å | ||
| 787 | T | 25.9 | Very low | 32.6 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 80% | 0.798 | 67% | 0.668 | S | S | * | * | trans | -73.2 | 117.8 | 176.3 | 46.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 788 | F | 26.9 | Very low | 31.3 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 77% | 0.768 | 68% | 0.683 | S | S | * | * | trans | -112.8 | 110.5 | 168.8 | -118.4 | -87.7 | 0 | 0 | 0 | 110.9 | E781 S790 | E781-F788 PolarHBondContact OE1-N 3.17Å; F788-S790 PolarHBondContact O-N 3.02Å; F788-S790 VanDerWaalsContact O-N 3.17Å | ||
| 789 | N | 26.8 | Very low | 30.1 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | trans | -61.8 | 113 | 170.1 | -85 | -25.2 | 0 | 0 | 0 | 110.2 | ||||
| 790 | S | 27 | Very low | 29 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -94.6 | 87.7 | 170.7 | 38.1 | 0 | 0 | 0 | 0 | 110 | F788 S792 | F788-S790 PolarHBondContact O-N 3.02Å; F788-S790 VanDerWaalsContact O-N 3.17Å; S790-S792 PolarHBondContact O-N 2.86Å | ||
| 791 | Q | 26.2 | Very low | 28.2 | Very low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -79.1 | 104.1 | 158.1 | -79.4 | -176.5 | -7 | 0 | 0 | 107.3 | ||||
| 792 | S | 26.7 | Very low | 27.4 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | 62 | 107.8 | 103.6 | 65.8 | 0 | 0 | 0 | 0 | 112.4 | S790 | S790-S792 PolarHBondContact O-N 2.86Š| |||
| 793 | A | 24.5 | Very low | 26.4 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | 81.7 | 126.6 | 98.9 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 794 | E | 24.1 | Very low | 25.6 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | 178.7 | 134.2 | 80.9 | -92.2 | 178.4 | 150.9 | 0 | 0 | 106.1 | |||||
| 795 | K | 23 | Very low | 25.2 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | 51.6 | 121.3 | 94.8 | -79.1 | -175.2 | 176.2 | 179.1 | 0 | 114.1 | |||||
| 796 | D | 25.6 | Very low | 24.8 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | 167.2 | 120.6 | 116.2 | -85.9 | -24.5 | 0 | 0 | 0 | 110.9 | |||||
| 797 | Q | 22.4 | Very low | 24.6 | Very low | 158 Ų | 158 | 130 Ų | 130 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | 73.4 | 109.2 | 93.6 | -68.6 | -175.9 | 53.4 | 0 | 0 | 112.5 | |||||
| 798 | I | 21.2 | Very low | 24.5 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | 62.8 | 122.7 | 92.1 | -61.5 | 168.6 | 0 | 0 | 0 | 112.2 | |||||
| 799 | E | 25 | Very low | 24.4 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | 171.1 | 111.2 | 136 | -92.5 | 178.7 | 179.6 | 0 | 0 | 108.1 | ||||
| 800 | T | 20.7 | Very low | 24.3 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | 67.7 | 126.9 | 78.5 | 53.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 801 | S | 22.9 | Very low | 24.2 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 105.4 | 121.6 | 132.6 | 74.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 802 | S | 22 | Very low | 24.2 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 68.5 | 150.9 | 135.6 | 84.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 803 | S | 24.7 | Very low | 24.2 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | cis | -166.4 | 166.3 | 21.7 | 39.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 804 | A | 25.4 | Very low | 24.6 | Very low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | trans | -67.9 | 172.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 805 | P | 29.5 | Very low | 25 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | -158.2 | 165 | 78.5 | 40.5 | -18.9 | 0 | 0 | 0 | 119.4 | |||||
| 806 | S | 23.2 | Very low | 25.7 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | trans | 51.9 | 131.3 | 137.9 | 69.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 807 | G | 23.2 | Very low | 26.2 | Very low | 68 Ų | 68 | 121.4 Ų | 121.4 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | 154.4 | 101.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 808 | S | 23.9 | Very low | 27 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | trans | 71.6 | 118.5 | 145.3 | 73.8 | 0 | 0 | 0 | 0 | 123.6 | K813 | S808-K813 PolarHBondContact O-NZ 3.05Š| ||
| 809 | Q | 24.6 | Very low | 28 | Very low | 177 Ų | 177 | 115.1 Ų | 115.1 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | trans | 42.9 | 143.2 | 131.4 | -62.3 | -175.9 | -4.3 | 0 | 0 | 122.7 | K813 | Q809-K813 PolarHBondContact O-NZ 3.2Š| ||
| 810 | S | 24 | Very low | 28.6 | Very low | 93 Ų | 93 | 108 Ų | 108 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 82.4 | 131.2 | 161.2 | 76.2 | 0 | 0 | 0 | 0 | 119.1 | K813 | S810-K813 WeakPolarHBondContact O-CE 3.27Š|
| 811 | I | 25.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 104.2 Ų | 104.2 | 78% | 0.779 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 66.4 | 138 | -167.1 | -49.8 | 174.9 | 0 | 0 | 0 | 109.7 | K813 | I811-K813 PolarHBondContact O-N 3.15Š|
| 812 | P | 26 | Very low | 30.3 | Very low | 128 Ų | 128 | 106.2 Ų | 106.2 | 83% | 0.831 | 63% | 0.633 | S | S | * | * | trans | -69.2 | 81 | -178.9 | 28.8 | -32.3 | 0 | 0 | 0 | 107.8 | L814 | P812-L814 VanDerWaalsContact C-N 3.34Å; P812-L814 PolarHBondContact O-N 3.21Å | ||
| 813 | K | 27.8 | Very low | 31.1 | Very low | 139 Ų | 139 | 102.4 Ų | 102.4 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | trans | -56.6 | 107.4 | 169.7 | -71.8 | 172.6 | -178.3 | 169.7 | 0 | 102.8 | S808 Q809 S810 I811 H815 | S808-K813 PolarHBondContact O-NZ 3.05Å; Q809-K813 PolarHBondContact O-NZ 3.2Å; S810-K813 WeakPolarHBondContact O-CE 3.27Å; I811-K813 PolarHBondContact O-N 3.15Å; K813-H815 PolarHBondContact O-N 2.88Å | ||
| 814 | L | 32.9 | Very low | 31.9 | Very low | 91 Ų | 91 | 98.1 Ų | 98.1 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | S | Bend | trans | 9.1 | 110.4 | 132.8 | -96.8 | 153.1 | 0 | 0 | 0 | 108.5 | P812 N821 V824 | P812-L814 VanDerWaalsContact C-N 3.34Å; P812-L814 PolarHBondContact O-N 3.21Å; L814-N821 VanDerWaalsContact CA-OD1 3.23Å; L814-N821 WeakPolarHBondContact CA-OD1 3.34Å; L814-N821 HydrophobicContact CB-CB 4.05Å; L814-N821 VanDerWaalsContact CB-OD1 3.22Å; L814-N821 WeakPolarHBondContact CB-OD1 3.23Å; L814-N821 HydrophobicContact CD2-CB 3.84Å; L814-N821 HydrophobicContact CG-CB 4.48Å; L814-N821 VanDerWaalsContact O-CG 3.3Å; L814-N821 PolarHBondContact O-ND2 2.82Å; L814-N821 PolarHBondContact O-OD1 2.95Å; L814-N821 VanDerWaalsContact O-OD1 3.12Å; L814-V824 HydrophobicContact CD2-CB 3.82Å; L814-V824 HydrophobicContact CD2-CG1 3.86Å; L814-V824 HydrophobicContact CD2-CG2 4.38Å |
| 815 | H | 31.4 | Very low | 32.6 | Very low | 112 Ų | 112 | 100.4 Ų | 100.4 | 52% | 0.519 | 57% | 0.565 | S | S | . | * | trans | -9.2 | 139 | 179 | -154.2 | -84.1 | 0 | 0 | 0 | 116 | K813 D817 I820 N821 | K813-H815 PolarHBondContact O-N 2.88Å; H815-D817 PolarHBondContact ND1-N 2.94Å; H815-D817 CarbonylContact O-C 3.56Å; H815-D817 PolarHBondContact O-N 2.97Å; H815-I820 HydrophobicContact CB-CB 3.98Å; H815-I820 HydrophobicContact CB-CG2 3.6Å; H815-I820 VanDerWaalsContact CE1-CD1 3.47Å; H815-I820 WeakPolarHBondContact CE1-CD1 3.3Å; H815-I820 WeakPolarHBondContact ND1-CD1 3.46Å; H815-N821 WeakPolarHBondContact CA-OD1 3.3Å; H815-N821 WeakPolarHBondContact CB-OD1 3.33Å; H815-N821 PolarHBondContact N-OD1 3.33Å; H815-N821 PolarHBondContact O-ND2 3.39Å; H815-N821 PolarHBondContact O-OD1 3.1Å | ||
| 816 | L | 37.2 | Very low | 33.1 | Very low | 178 Ų | 178 | 97.2 Ų | 97.2 | 93% | 0.932 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -56.2 | -13.7 | -179.8 | -79.2 | 160.4 | 0 | 0 | 0 | 115.1 | P818 | L816-P818 WeakPolarHBondContact O-CD 3.34Š|
| 817 | D | 36.2 | Very low | 33.9 | Very low | 63 Ų | 63 | 91.8 Ų | 91.8 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | trans | -90.5 | 110.6 | 173.2 | -170.5 | -16.2 | 0 | 0 | 0 | 109.8 | H815 V819 I820 N821 | H815-D817 PolarHBondContact ND1-N 2.94Å; H815-D817 CarbonylContact O-C 3.56Å; H815-D817 PolarHBondContact O-N 2.97Å; D817-V819 PolarHBondContact O-N 3.12Å; D817-V819 VanDerWaalsContact O-N 3.12Å; D817-V819 WeakPolarHBondContact OD1-CA 3.21Å; D817-V819 WeakPolarHBondContact OD1-CB 3.32Å; D817-V819 WeakPolarHBondContact OD1-CG2 3.46Å; D817-V819 PolarHBondContact OD1-N 3.32Å; D817-I820 HydrophobicContact CB-CB 4.04Å; D817-I820 HydrophobicContact CB-CD1 3.87Å; D817-I820 HydrophobicContact CB-CG1 3.86Å; D817-I820 PolarHBondContact O-N 3.44Å; D817-N821 PolarHBondContact O-N 2.9Å | ||
| 818 | P | 39 | Very low | 34.7 | Very low | 93 Ų | 93 | 93.1 Ų | 93.1 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.7 | -21.9 | 176 | 24 | -32 | 0 | 0 | 0 | 112.8 | L816 K822 | L816-P818 WeakPolarHBondContact O-CD 3.34Å; P818-K822 VanDerWaalsContact O-CB 3.23Å; P818-K822 WeakPolarHBondContact O-CB 3.45Å; P818-K822 PolarHBondContact O-N 3.46Å |
| 819 | V | 42.1 | Very low | 35.3 | Very low | 79 Ų | 79 | 89.6 Ų | 89.6 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.8 | -47.9 | 171.6 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | D817 N821 K822 Q823 | D817-V819 PolarHBondContact O-N 3.12Å; D817-V819 VanDerWaalsContact O-N 3.12Å; D817-V819 WeakPolarHBondContact OD1-CA 3.21Å; D817-V819 WeakPolarHBondContact OD1-CB 3.32Å; D817-V819 WeakPolarHBondContact OD1-CG2 3.46Å; D817-V819 PolarHBondContact OD1-N 3.32Å; V819-N821 VanDerWaalsContact C-N 3.26Å; V819-N821 PolarHBondContact O-N 3.39Å; V819-K822 PolarHBondContact O-N 3Å; V819-Q823 HydrophobicContact CG1-CG 4.48Å; V819-Q823 VanDerWaalsContact O-CB 3.32Å; V819-Q823 WeakPolarHBondContact O-CB 3.26Å; V819-Q823 WeakPolarHBondContact O-CG 3.5Å; V819-Q823 PolarHBondContact O-N 2.88Å |
| 820 | I | 38.4 | Very low | 36.1 | Very low | 28 Ų | 28 | 81.3 Ų | 81.3 | 14% | 0.144 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 176.1 | -65.6 | 176.5 | 0 | 0 | 0 | 110.2 | H815 D817 Q823 V824 V858 | H815-I820 HydrophobicContact CB-CB 3.98Å; H815-I820 HydrophobicContact CB-CG2 3.6Å; H815-I820 VanDerWaalsContact CE1-CD1 3.47Å; H815-I820 WeakPolarHBondContact CE1-CD1 3.3Å; H815-I820 WeakPolarHBondContact ND1-CD1 3.46Å; D817-I820 HydrophobicContact CB-CB 4.04Å; D817-I820 HydrophobicContact CB-CD1 3.87Å; D817-I820 HydrophobicContact CB-CG1 3.86Å; D817-I820 PolarHBondContact O-N 3.44Å; I820-Q823 CarbonylContact O-C 3.54Å; I820-Q823 WeakPolarHBondContact O-CB 3.41Å; I820-Q823 PolarHBondContact O-N 3.39Å; I820-V824 HydrophobicContact CG2-CG2 4.32Å; I820-V824 VanDerWaalsContact O-CG2 3.26Å; I820-V824 WeakPolarHBondContact O-CG2 3.46Å; I820-V824 PolarHBondContact O-N 3.09Å; I820-V858 HydrophobicContact CG2-CG2 4.38Å |
| 821 | N | 38.3 | Very low | 36.8 | Very low | 34 Ų | 34 | 78.1 Ų | 78.1 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.5 | -43.6 | 178.6 | -65.6 | -18.1 | 0 | 0 | 0 | 114 | L814 H815 D817 V819 Q823 V824 F825 | L814-N821 VanDerWaalsContact CA-OD1 3.23Å; L814-N821 WeakPolarHBondContact CA-OD1 3.34Å; L814-N821 HydrophobicContact CB-CB 4.05Å; L814-N821 VanDerWaalsContact CB-OD1 3.22Å; L814-N821 WeakPolarHBondContact CB-OD1 3.23Å; L814-N821 HydrophobicContact CD2-CB 3.84Å; L814-N821 HydrophobicContact CG-CB 4.48Å; L814-N821 VanDerWaalsContact O-CG 3.3Å; L814-N821 PolarHBondContact O-ND2 2.82Å; L814-N821 PolarHBondContact O-OD1 2.95Å; L814-N821 VanDerWaalsContact O-OD1 3.12Å; H815-N821 WeakPolarHBondContact CA-OD1 3.3Å; H815-N821 WeakPolarHBondContact CB-OD1 3.33Å; H815-N821 PolarHBondContact N-OD1 3.33Å; H815-N821 PolarHBondContact O-ND2 3.39Å; H815-N821 PolarHBondContact O-OD1 3.1Å; D817-N821 PolarHBondContact O-N 2.9Å; V819-N821 VanDerWaalsContact C-N 3.26Å; V819-N821 PolarHBondContact O-N 3.39Å; N821-Q823 PolarHBondContact O-N 2.95Å; N821-V824 PolarHBondContact O-N 3.48Å; N821-F825 WeakPolarHBondContact O-CB 3.46Å; N821-F825 PolarHBondContact O-N 3.25Å |
| 822 | K | 41.4 | Very low | 37.4 | Very low | 146 Ų | 146 | 74.3 Ų | 74.3 | 64% | 0.635 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.5 | -36.4 | 173 | -173.4 | 177.9 | 180 | 179 | 0 | 110.1 | P818 V819 L826 | P818-K822 VanDerWaalsContact O-CB 3.23Å; P818-K822 WeakPolarHBondContact O-CB 3.45Å; P818-K822 PolarHBondContact O-N 3.46Å; V819-K822 PolarHBondContact O-N 3Å; K822-L826 HydrophobicContact CG-CD1 3.93Å; K822-L826 HydrophobicContact CG-CG 4.46Å; K822-L826 WeakPolarHBondContact O-CB 3.42Å; K822-L826 WeakPolarHBondContact O-CD1 3.37Å; K822-L826 WeakPolarHBondContact O-CG 3.36Å; K822-L826 PolarHBondContact O-N 2.95Å |
| 823 | Q | 39.4 | Very low | 38 | Very low | 32 Ų | 32 | 71 Ų | 71 | 15% | 0.15 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.1 | -46.9 | 176.4 | -74.6 | 170.2 | -9.3 | 0 | 0 | 112.3 | V819 I820 N821 F825 L826 L827 L848 M855 | V819-Q823 HydrophobicContact CG1-CG 4.48Å; V819-Q823 VanDerWaalsContact O-CB 3.32Å; V819-Q823 WeakPolarHBondContact O-CB 3.26Å; V819-Q823 WeakPolarHBondContact O-CG 3.5Å; V819-Q823 PolarHBondContact O-N 2.88Å; I820-Q823 CarbonylContact O-C 3.54Å; I820-Q823 WeakPolarHBondContact O-CB 3.41Å; I820-Q823 PolarHBondContact O-N 3.39Å; N821-Q823 PolarHBondContact O-N 2.95Å; Q823-F825 VanDerWaalsContact C-N 3.34Å; Q823-F825 PolarHBondContact O-N 3.49Å; Q823-L826 PolarHBondContact O-N 3.48Å; Q823-L827 VanDerWaalsContact O-CB 3.23Å; Q823-L827 WeakPolarHBondContact O-CB 3.47Å; Q823-L827 PolarHBondContact O-N 3.35Å; Q823-L848 HydrophobicContact CG-CD1 4.28Å; Q823-L848 HydrophobicContact CG-CD2 3.62Å; Q823-M855 HydrophobicContact CB-CE 3.9Å; Q823-M855 HydrophobicContact CB-SD 4.07Å; Q823-M855 VanDerWaalsContact CD-CE 3.43Å; Q823-M855 HydrophobicContact CG-CE 3.84Å; Q823-M855 HydrophobicContact CG-SD 4.4Å; Q823-M855 PolarHBondContact OE1-SD 3.02Å |
| 824 | V | 39.7 | Very low | 38.4 | Very low | 25 Ų | 25 | 65.9 Ų | 65.9 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | L814 I820 N821 L827 E828 V858 | L814-V824 HydrophobicContact CD2-CB 3.82Å; L814-V824 HydrophobicContact CD2-CG1 3.86Å; L814-V824 HydrophobicContact CD2-CG2 4.38Å; I820-V824 HydrophobicContact CG2-CG2 4.32Å; I820-V824 VanDerWaalsContact O-CG2 3.26Å; I820-V824 WeakPolarHBondContact O-CG2 3.46Å; I820-V824 PolarHBondContact O-N 3.09Å; N821-V824 PolarHBondContact O-N 3.48Å; V824-L827 PolarHBondContact O-N 2.9Å; V824-E828 WeakPolarHBondContact O-CB 3.37Å; V824-E828 PolarHBondContact O-N 3.37Å; V824-V858 HydrophobicContact CB-CG1 4.29Å; V824-V858 HydrophobicContact CG2-CB 4.23Å; V824-V858 HydrophobicContact CG2-CG1 3.57Å; V824-V858 HydrophobicContact CG2-CG2 3.54Å |
| 825 | F | 40.8 | Very low | 38.6 | Very low | 137 Ų | 137 | 64.3 Ų | 64.3 | 60% | 0.601 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 177.1 | 179.7 | -96 | 0 | 0 | 0 | 112.2 | N821 Q823 L827 A829 | N821-F825 WeakPolarHBondContact O-CB 3.46Å; N821-F825 PolarHBondContact O-N 3.25Å; Q823-F825 VanDerWaalsContact C-N 3.34Å; Q823-F825 PolarHBondContact O-N 3.49Å; F825-L827 VanDerWaalsContact C-N 3.29Å; F825-L827 PolarHBondContact O-N 3.43Å; F825-A829 HydrophobicContact CE1-CB 4.4Å; F825-A829 WeakPolarHBondContact O-CA 3.45Å; F825-A829 WeakPolarHBondContact O-CB 3.49Å; F825-A829 PolarHBondContact O-N 2.93Å |
| 826 | L | 40.8 | Very low | 38.9 | Very low | 50 Ų | 50 | 68.8 Ų | 68.8 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.2 | -29.4 | 176 | -78.8 | 167.6 | 0 | 0 | 0 | 112.5 | K822 Q823 G830 | K822-L826 HydrophobicContact CG-CD1 3.93Å; K822-L826 HydrophobicContact CG-CG 4.46Å; K822-L826 WeakPolarHBondContact O-CB 3.42Å; K822-L826 WeakPolarHBondContact O-CD1 3.37Å; K822-L826 WeakPolarHBondContact O-CG 3.36Å; K822-L826 PolarHBondContact O-N 2.95Å; Q823-L826 PolarHBondContact O-N 3.48Å; L826-G830 WeakPolarHBondContact O-CA 3.43Å; L826-G830 PolarHBondContact O-N 3.26Å |
| 827 | L | 38.9 | Very low | 38.9 | Very low | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.3 | -45.3 | 178.4 | -154.9 | 129.6 | 0 | 0 | 0 | 110.5 | Q823 V824 F825 G830 F831 W850 V858 T862 | Q823-L827 VanDerWaalsContact O-CB 3.23Å; Q823-L827 WeakPolarHBondContact O-CB 3.47Å; Q823-L827 PolarHBondContact O-N 3.35Å; V824-L827 PolarHBondContact O-N 2.9Å; F825-L827 VanDerWaalsContact C-N 3.29Å; F825-L827 PolarHBondContact O-N 3.43Å; L827-G830 PolarHBondContact O-N 3.49Å; L827-F831 VanDerWaalsContact O-CB 3.31Å; L827-F831 WeakPolarHBondContact O-CB 3.12Å; L827-F831 PolarHBondContact O-N 2.83Å; L827-W850 HydrophobicContact CD1-CH2 3.26Å; L827-W850 HydrophobicContact CD1-CZ2 4.33Å; L827-W850 HydrophobicContact CD1-CZ3 3.55Å; L827-W850 HydrophobicContact CG-CH2 4.41Å; L827-V858 HydrophobicContact CD2-CG1 4.42Å; L827-T862 HydrophobicContact CD2-CG2 3.88Å; L827-T862 WeakPolarHBondContact CD2-OG1 3.5Å |
| 828 | E | 40.7 | Very low | 38.9 | Very low | 96 Ų | 96 | 69.8 Ų | 69.8 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.9 | -49.3 | 172 | -75.9 | -176.8 | 163.3 | 0 | 0 | 111.5 | V824 G830 F831 V832 T862 | V824-E828 WeakPolarHBondContact O-CB 3.37Å; V824-E828 PolarHBondContact O-N 3.37Å; E828-G830 VanDerWaalsContact C-N 3.33Å; E828-G830 PolarHBondContact O-N 2.95Å; E828-F831 PolarHBondContact O-N 2.98Å; E828-V832 VanDerWaalsContact O-CB 3.24Å; E828-V832 WeakPolarHBondContact O-CB 3.49Å; E828-V832 WeakPolarHBondContact O-CG2 3.49Å; E828-V832 PolarHBondContact O-N 3.44Å; E828-T862 HydrophobicContact CG-CG2 4.45Å |
| 829 | A | 37.3 | Very low | 38.7 | Very low | 24 Ų | 24 | 67.7 Ų | 67.7 | 20% | 0.198 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F825 N833 | F825-A829 HydrophobicContact CE1-CB 4.4Å; F825-A829 WeakPolarHBondContact O-CA 3.45Å; F825-A829 WeakPolarHBondContact O-CB 3.49Å; F825-A829 PolarHBondContact O-N 2.93Å; A829-N833 WeakPolarHBondContact O-CA 3.12Å; A829-N833 WeakPolarHBondContact O-CB 3.38Å; A829-N833 PolarHBondContact O-N 3.03Å |
| 830 | G | 39.8 | Very low | 38.6 | Very low | 4 Ų | 4 | 72 Ų | 72 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L826 L827 E828 G834 | L826-G830 WeakPolarHBondContact O-CA 3.43Å; L826-G830 PolarHBondContact O-N 3.26Å; L827-G830 PolarHBondContact O-N 3.49Å; E828-G830 VanDerWaalsContact C-N 3.33Å; E828-G830 PolarHBondContact O-N 2.95Å; G830-G834 WeakPolarHBondContact O-CA 3.47Å; G830-G834 PolarHBondContact O-N 2.52Å |
| 831 | F | 38.7 | Very low | 38.6 | Very low | 25 Ų | 25 | 72.2 Ų | 72.2 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -73.6 | -50.8 | 172.8 | -106.8 | -99.5 | 0 | 0 | 0 | 111.6 | L827 E828 G834 L835 L866 A874 | L827-F831 VanDerWaalsContact O-CB 3.31Å; L827-F831 WeakPolarHBondContact O-CB 3.12Å; L827-F831 PolarHBondContact O-N 2.83Å; E828-F831 PolarHBondContact O-N 2.98Å; F831-G834 PolarHBondContact O-N 2.87Å; F831-L835 WeakPolarHBondContact O-CB 3.49Å; F831-L835 WeakPolarHBondContact O-CD1 3.37Å; F831-L835 WeakPolarHBondContact O-CG 3.2Å; F831-L835 PolarHBondContact O-N 3.46Å; F831-L866 HydrophobicContact CD1-CD1 3.32Å; F831-L866 HydrophobicContact CD1-CD2 4.21Å; F831-L866 HydrophobicContact CD1-CG 4.39Å; F831-L866 HydrophobicContact CE1-CD1 3.19Å; F831-L866 HydrophobicContact CG-CD1 4.34Å; F831-L866 HydrophobicContact CZ-CD1 4.18Å; F831-A874 HydrophobicContact CD1-CB 3.83Å; F831-A874 HydrophobicContact CE1-CB 3.14Å; F831-A874 HydrophobicContact CZ-CB 3.79Å |
| 832 | V | 38.3 | Very low | 38.9 | Very low | 73 Ų | 73 | 71.3 Ų | 71.3 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.5 | -41.7 | -176.7 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | E828 R836 | E828-V832 VanDerWaalsContact O-CB 3.24Å; E828-V832 WeakPolarHBondContact O-CB 3.49Å; E828-V832 WeakPolarHBondContact O-CG2 3.49Å; E828-V832 PolarHBondContact O-N 3.44Å; V832-R836 WeakPolarHBondContact O-CB 3.3Å; V832-R836 PolarHBondContact O-N 3.19Å |
| 833 | N | 38.1 | Very low | 39.1 | Very low | 59 Ų | 59 | 66.6 Ų | 66.6 | 32% | 0.316 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -78 | -35.6 | 172.4 | -69 | -17.2 | 0 | 0 | 0 | 111.4 | A829 L835 R836 E837 | A829-N833 WeakPolarHBondContact O-CA 3.12Å; A829-N833 WeakPolarHBondContact O-CB 3.38Å; A829-N833 PolarHBondContact O-N 3.03Å; N833-L835 PolarHBondContact O-N 3.32Å; N833-R836 CarbonylContact O-C 3.41Å; N833-R836 PolarHBondContact O-N 3.13Å; N833-E837 CarbonylContact C-O 3.59Å; N833-E837 CarbonylContact O-C 3.56Å; N833-E837 VanDerWaalsContact O-C 3.32Å; N833-E837 WeakPolarHBondContact O-CA 3.4Å; N833-E837 PolarHBondContact O-N 3.37Å |
| 834 | G | 37 | Very low | 39.3 | Very low | 30 Ų | 30 | 67.1 Ų | 67.1 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.6 | -29.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | G830 F831 | G830-G834 WeakPolarHBondContact O-CA 3.47Å; G830-G834 PolarHBondContact O-N 2.52Å; F831-G834 PolarHBondContact O-N 2.87Å |
| 835 | L | 37.1 | Very low | 39.6 | Very low | 58 Ų | 58 | 66.5 Ų | 66.5 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -18.3 | 173.6 | -70.6 | 168.3 | 0 | 0 | 0 | 114.9 | F831 N833 E870 K873 | F831-L835 WeakPolarHBondContact O-CB 3.49Å; F831-L835 WeakPolarHBondContact O-CD1 3.37Å; F831-L835 WeakPolarHBondContact O-CG 3.2Å; F831-L835 PolarHBondContact O-N 3.46Å; N833-L835 PolarHBondContact O-N 3.32Å; L835-E870 HydrophobicContact CD1-CB 4.03Å; L835-E870 HydrophobicContact CD1-CG 4.09Å; L835-K873 HydrophobicContact CD2-CB 3.43Å; L835-K873 VanDerWaalsContact CD2-CB 3.43Å; L835-K873 HydrophobicContact CD2-CD 4.09Å; L835-K873 HydrophobicContact CD2-CG 4.42Å |
| 836 | R | 38.3 | Very low | 40 | Very low | 207 Ų | 207 | 60.8 Ų | 60.8 | 78% | 0.781 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | -27.5 | -174.5 | -73.5 | -172.3 | 172.5 | -157 | -1.3 | 115 | V832 N833 | V832-R836 WeakPolarHBondContact O-CB 3.3Å; V832-R836 PolarHBondContact O-N 3.19Å; N833-R836 CarbonylContact O-C 3.41Å; N833-R836 PolarHBondContact O-N 3.13Å |
| 837 | E | 35.9 | Very low | 40.3 | Very low | 130 Ų | 130 | 65.8 Ų | 65.8 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | trans | -154.6 | 123.7 | -168.5 | -65.1 | -170.8 | 172.7 | 0 | 0 | 110.6 | N833 A839 | N833-E837 CarbonylContact C-O 3.59Å; N833-E837 CarbonylContact O-C 3.56Å; N833-E837 VanDerWaalsContact O-C 3.32Å; N833-E837 WeakPolarHBondContact O-CA 3.4Å; N833-E837 PolarHBondContact O-N 3.37Å; E837-A839 PolarHBondContact O-N 3.34Å | ||
| 838 | S | 37.4 | Very low | 41 | Very low | 132 Ų | 132 | 66.8 Ų | 66.8 | 92% | 0.923 | 38% | 0.378 | S | S | * | . | trans | -66.3 | 57.1 | 175.7 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 839 | A | 34.6 | Very low | 41.6 | Very low | 49 Ų | 49 | 67.4 Ų | 67.4 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | trans | -82.8 | 141.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E837 V841 | E837-A839 PolarHBondContact O-N 3.34Å; A839-V841 HydrophobicContact CB-CG2 4.06Å; A839-V841 PolarHBondContact O-N 3.1Å | ||
| 840 | N | 40.1 | Very low | 42.5 | Very low | 169 Ų | 169 | 66.9 Ų | 66.9 | 90% | 0.904 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 24.7 | -179.8 | -82.2 | -39.1 | 0 | 0 | 0 | 116.4 | G842 | N840-G842 VanDerWaalsContact C-N 3.31Å; N840-G842 PolarHBondContact O-N 3.4Å |
| 841 | V | 38 | Very low | 43.1 | Very low | 32 Ų | 32 | 71.7 Ų | 71.7 | 19% | 0.194 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -27.3 | -178.8 | -169.9 | 0 | 0 | 0 | 0 | 112 | A839 G843 A844 L845 | A839-V841 HydrophobicContact CB-CG2 4.06Å; A839-V841 PolarHBondContact O-N 3.1Å; V841-G843 PolarHBondContact O-N 3.31Å; V841-G843 VanDerWaalsContact O-N 3.1Å; V841-A844 PolarHBondContact O-N 3.19Å; V841-L845 PolarHBondContact O-N 2.94Å |
| 842 | G | 45.3 | Very low | 44.2 | Very low | 15 Ų | 15 | 72 Ų | 72 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -52.4 | -38.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | N840 L846 | N840-G842 VanDerWaalsContact C-N 3.31Å; N840-G842 PolarHBondContact O-N 3.4Å; G842-L846 WeakPolarHBondContact O-CG 3.28Å; G842-L846 PolarHBondContact O-N 3.1Å |
| 843 | G | 44.3 | Very low | 45.3 | Very low | 47 Ų | 47 | 75.9 Ų | 75.9 | 49% | 0.485 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.4 | -22.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V841 K847 | V841-G843 PolarHBondContact O-N 3.31Å; V841-G843 VanDerWaalsContact O-N 3.1Å; G843-K847 WeakPolarHBondContact O-CD 3.47Å; G843-K847 WeakPolarHBondContact O-CE 3.21Å; G843-K847 WeakPolarHBondContact O-CG 3.34Å |
| 844 | A | 45 | Very low | 46.4 | Very low | 44 Ų | 44 | 74.9 Ų | 74.9 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -84.4 | -36.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V841 L846 K847 | V841-A844 PolarHBondContact O-N 3.19Å; A844-L846 PolarHBondContact O-N 3.32Å; A844-K847 PolarHBondContact O-N 3.05Å |
| 845 | L | 45.3 | Very low | 47.3 | Very low | 11 Ų | 11 | 74 Ų | 74 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 178 | -161.5 | 96.9 | 0 | 0 | 0 | 111.9 | V841 K847 L848 W850 W877 | V841-L845 PolarHBondContact O-N 2.94Å; L845-K847 VanDerWaalsContact C-N 3.26Å; L845-K847 PolarHBondContact O-N 3.29Å; L845-L848 WeakPolarHBondContact O-CB 3.34Å; L845-L848 WeakPolarHBondContact O-CG 3.47Å; L845-L848 PolarHBondContact O-N 3.3Å; L845-W850 HydrophobicContact CD2-CZ2 4.32Å; L845-W850 HydrophobicContact CG-CZ2 4.01Å; L845-W850 PolarHBondContact O-NE1 3.14Å; L845-W877 HydrophobicContact CD2-CH2 4.46Å; L845-W877 HydrophobicContact CD2-CZ3 4.45Å |
| 846 | L | 49.1 | Very low | 48.2 | Very low | 17 Ų | 17 | 75.4 Ų | 75.4 | 9% | 0.089 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -9.3 | -179.8 | -66.7 | 171.1 | 0 | 0 | 0 | 114.4 | A747 V751 G842 A844 L848 L885 | A747-L846 HydrophobicContact CB-CD2 4.24Å; V751-L846 HydrophobicContact CG2-CB 4.49Å; V751-L846 HydrophobicContact CG2-CD1 4.34Å; G842-L846 WeakPolarHBondContact O-CG 3.28Å; G842-L846 PolarHBondContact O-N 3.1Å; A844-L846 PolarHBondContact O-N 3.32Å; L846-L848 VanDerWaalsContact C-N 3.33Å; L846-L885 HydrophobicContact CD1-CD1 3.23Å |
| 847 | K | 48.2 | Very low | 49.1 | Very low | 156 Ų | 156 | 70.5 Ų | 70.5 | 68% | 0.678 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.7 | 175.3 | -71 | 176.6 | -177.3 | -176.3 | 0 | 113 | G843 A844 L845 | G843-K847 WeakPolarHBondContact O-CD 3.47Å; G843-K847 WeakPolarHBondContact O-CE 3.21Å; G843-K847 WeakPolarHBondContact O-CG 3.34Å; A844-K847 PolarHBondContact O-N 3.05Å; L845-K847 VanDerWaalsContact C-N 3.26Å; L845-K847 PolarHBondContact O-N 3.29Å |
| 848 | L | 52.1 | Low | 49.9 | Very low | 24 Ų | 24 | 65.2 Ų | 65.2 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -77.9 | 142.3 | 179.5 | -60.7 | 177.2 | 0 | 0 | 0 | 109.8 | Q823 L845 L846 W850 M855 | Q823-L848 HydrophobicContact CG-CD1 4.28Å; Q823-L848 HydrophobicContact CG-CD2 3.62Å; L845-L848 WeakPolarHBondContact O-CB 3.34Å; L845-L848 WeakPolarHBondContact O-CG 3.47Å; L845-L848 PolarHBondContact O-N 3.3Å; L846-L848 VanDerWaalsContact C-N 3.33Å; L848-W850 HydrophobicContact CD1-CZ2 4.49Å; L848-W850 PolarHBondContact O-N 3.25Å; L848-W850 PolarHBondContact O-NE1 2.8Å; L848-M855 HydrophobicContact CB-CE 3.7Å; L848-M855 HydrophobicContact CD1-CE 3.82Å; L848-M855 HydrophobicContact CD2-CE 4.31Å; L848-M855 HydrophobicContact CG-CE 4.14Å |
| 849 | N | 55.1 | Low | 50.8 | Low | 109 Ų | 109 | 59.2 Ų | 59.2 | 58% | 0.583 | 35% | 0.346 | S | S | * | . | trans | -82.2 | 103.8 | 174.5 | -175.2 | -5.2 | 0 | 0 | 0 | 109.3 | D851 M855 | N849-D851 PolarHBondContact OD1-N 3.04Å; N849-M855 WeakPolarHBondContact O-CG 3.4Å | ||
| 850 | W | 55.6 | Low | 51.7 | Low | 14 Ų | 14 | 57.8 Ų | 57.8 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -10 | -175.3 | -64.9 | 95.2 | 0 | 0 | 0 | 114.1 | M741 V744 L745 L827 L845 L848 G852 A859 | M741-W850 HydrophobicContact CE-CB 4.34Å; M741-W850 HydrophobicContact CE-CE3 4.38Å; V744-W850 HydrophobicContact CG1-CB 4.31Å; V744-W850 HydrophobicContact CG1-CD2 3.54Å; V744-W850 HydrophobicContact CG1-CE3 4.12Å; V744-W850 HydrophobicContact CG1-CG 3.61Å; V744-W850 HydrophobicContact CG1-CZ2 4.12Å; L745-W850 HydrophobicContact CD2-CB 3.8Å; L827-W850 HydrophobicContact CD1-CH2 3.26Å; L827-W850 HydrophobicContact CD1-CZ2 4.33Å; L827-W850 HydrophobicContact CD1-CZ3 3.55Å; L827-W850 HydrophobicContact CG-CH2 4.41Å; L845-W850 HydrophobicContact CD2-CZ2 4.32Å; L845-W850 HydrophobicContact CG-CZ2 4.01Å; L845-W850 PolarHBondContact O-NE1 3.14Å; L848-W850 HydrophobicContact CD1-CZ2 4.49Å; L848-W850 PolarHBondContact O-N 3.25Å; L848-W850 PolarHBondContact O-NE1 2.8Å; W850-G852 VanDerWaalsContact C-N 3.3Å; W850-G852 PolarHBondContact O-N 2.81Å; W850-A859 HydrophobicContact CZ3-CB 4.15Å |
| 851 | D | 52.9 | Low | 52.5 | Low | 104 Ų | 104 | 58.2 Ų | 58.2 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -24.8 | -178.6 | -68.4 | -42.3 | 0 | 0 | 0 | 113.2 | L745 N849 | L745-D851 WeakPolarHBondContact CD2-OD1 3.33Å; N849-D851 PolarHBondContact OD1-N 3.04Å |
| 852 | G | 61.2 | Low | 53.2 | Low | 33 Ų | 33 | 57.3 Ų | 57.3 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -67.5 | 135.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | W850 G854 M855 K856 | W850-G852 VanDerWaalsContact C-N 3.3Å; W850-G852 PolarHBondContact O-N 2.81Å; G852-G854 PolarHBondContact O-N 2.8Å; G852-G854 VanDerWaalsContact O-N 3.15Å; G852-M855 PolarHBondContact O-N 3.15Å; G852-K856 PolarHBondContact O-N 3.37Å; G852-K856 VanDerWaalsContact O-N 3.11Å |
| 853 | E | 62 | Low | 53.7 | Low | 153 Ų | 153 | 56.9 Ų | 56.9 | 72% | 0.715 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.7 | -33.3 | -179.4 | -167.4 | 157 | -169.5 | 0 | 0 | 113.1 | M855 K856 N857 | E853-M855 PolarHBondContact O-N 2.77Å; E853-K856 PolarHBondContact O-N 3.34Å; E853-N857 WeakPolarHBondContact O-CB 3.37Å; E853-N857 VanDerWaalsContact O-CG 3.25Å; E853-N857 PolarHBondContact O-N 2.91Å; E853-N857 PolarHBondContact O-ND2 3.07Å |
| 854 | G | 60.2 | Low | 54.4 | Low | 38 Ų | 38 | 60.8 Ų | 60.8 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G852 N857 V858 | G852-G854 PolarHBondContact O-N 2.8Å; G852-G854 VanDerWaalsContact O-N 3.15Å; G854-N857 PolarHBondContact O-N 3.22Å; G854-V858 WeakPolarHBondContact O-CG2 3.21Å; G854-V858 PolarHBondContact O-N 3.48Å; G854-V858 VanDerWaalsContact O-N 3.08Å |
| 855 | M | 56 | Low | 54.7 | Low | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.8 | -37.6 | -179.8 | -71.5 | -63.5 | -100 | 0 | 0 | 112.1 | Q823 L848 N849 G852 E853 N857 V858 A859 | Q823-M855 HydrophobicContact CB-CE 3.9Å; Q823-M855 HydrophobicContact CB-SD 4.07Å; Q823-M855 VanDerWaalsContact CD-CE 3.43Å; Q823-M855 HydrophobicContact CG-CE 3.84Å; Q823-M855 HydrophobicContact CG-SD 4.4Å; Q823-M855 PolarHBondContact OE1-SD 3.02Å; L848-M855 HydrophobicContact CB-CE 3.7Å; L848-M855 HydrophobicContact CD1-CE 3.82Å; L848-M855 HydrophobicContact CD2-CE 4.31Å; L848-M855 HydrophobicContact CG-CE 4.14Å; N849-M855 WeakPolarHBondContact O-CG 3.4Å; G852-M855 PolarHBondContact O-N 3.15Å; E853-M855 PolarHBondContact O-N 2.77Å; M855-N857 VanDerWaalsContact C-N 3.27Å; M855-N857 PolarHBondContact O-N 3.42Å; M855-V858 PolarHBondContact O-N 3.3Å; M855-A859 WeakPolarHBondContact O-CB 3.26Å; M855-A859 PolarHBondContact O-N 3.4Å |
| 856 | K | 55.1 | Low | 54.8 | Low | 88 Ų | 88 | 65.1 Ų | 65.1 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -41.6 | 170.3 | -68.5 | -178.2 | 178.6 | 174.5 | 0 | 111.2 | M741 G852 E853 A859 A860 | M741-K856 HydrophobicContact CE-CG 4.16Å; G852-K856 PolarHBondContact O-N 3.37Å; G852-K856 VanDerWaalsContact O-N 3.11Å; E853-K856 PolarHBondContact O-N 3.34Å; K856-A859 PolarHBondContact O-N 3.1Å; K856-A860 VanDerWaalsContact O-CB 3.26Å; K856-A860 WeakPolarHBondContact O-CB 3.09Å; K856-A860 PolarHBondContact O-N 3.5Å |
| 857 | N | 57.3 | Low | 54.8 | Low | 103 Ų | 103 | 68 Ų | 68 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.8 | -40.8 | 176.8 | -73.9 | -27.6 | 0 | 0 | 0 | 113.3 | E853 G854 M855 R861 | E853-N857 WeakPolarHBondContact O-CB 3.37Å; E853-N857 VanDerWaalsContact O-CG 3.25Å; E853-N857 PolarHBondContact O-N 2.91Å; E853-N857 PolarHBondContact O-ND2 3.07Å; G854-N857 PolarHBondContact O-N 3.22Å; M855-N857 VanDerWaalsContact C-N 3.27Å; M855-N857 PolarHBondContact O-N 3.42Å; N857-R861 VanDerWaalsContact O-CB 3.31Å; N857-R861 WeakPolarHBondContact O-CB 3.33Å; N857-R861 PolarHBondContact O-N 3.08Å |
| 858 | V | 54 | Low | 54.8 | Low | 19 Ų | 19 | 67.2 Ų | 67.2 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.3 | -47.9 | 175 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | I820 V824 L827 G854 M855 A860 R861 T862 | I820-V858 HydrophobicContact CG2-CG2 4.38Å; V824-V858 HydrophobicContact CB-CG1 4.29Å; V824-V858 HydrophobicContact CG2-CB 4.23Å; V824-V858 HydrophobicContact CG2-CG1 3.57Å; V824-V858 HydrophobicContact CG2-CG2 3.54Å; L827-V858 HydrophobicContact CD2-CG1 4.42Å; G854-V858 WeakPolarHBondContact O-CG2 3.21Å; G854-V858 PolarHBondContact O-N 3.48Å; G854-V858 VanDerWaalsContact O-N 3.08Å; M855-V858 PolarHBondContact O-N 3.3Å; V858-A860 PolarHBondContact O-N 3.07Å; V858-R861 PolarHBondContact O-N 3.06Å; V858-T862 PolarHBondContact O-N 2.98Å; V858-T862 PolarHBondContact O-OG1 3.35Å |
| 859 | A | 56.4 | Low | 54.7 | Low | 7 Ų | 7 | 71.3 Ų | 71.3 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F737 M741 W850 M855 K856 R861 T862 W863 | F737-A859 HydrophobicContact CE2-CB 4.16Å; F737-A859 HydrophobicContact CZ-CB 4.1Å; M741-A859 HydrophobicContact SD-CB 4.13Å; W850-A859 HydrophobicContact CZ3-CB 4.15Å; M855-A859 WeakPolarHBondContact O-CB 3.26Å; M855-A859 PolarHBondContact O-N 3.4Å; K856-A859 PolarHBondContact O-N 3.1Å; A859-R861 PolarHBondContact O-N 3.31Å; A859-T862 PolarHBondContact O-N 3.12Å; A859-W863 VanDerWaalsContact O-CB 3.25Å; A859-W863 WeakPolarHBondContact O-CB 3.44Å; A859-W863 PolarHBondContact O-N 3.26Å |
| 860 | A | 53.7 | Low | 54.2 | Low | 19 Ų | 19 | 69.6 Ų | 69.6 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | F737 K856 V858 T862 W863 Y864 | F737-A860 HydrophobicContact CE1-CB 3.96Å; F737-A860 HydrophobicContact CE2-CB 4.2Å; F737-A860 VanDerWaalsContact CZ-CA 3.46Å; F737-A860 HydrophobicContact CZ-CB 3.64Å; K856-A860 VanDerWaalsContact O-CB 3.26Å; K856-A860 WeakPolarHBondContact O-CB 3.09Å; K856-A860 PolarHBondContact O-N 3.5Å; V858-A860 PolarHBondContact O-N 3.07Å; A860-T862 PolarHBondContact O-N 3.49Å; A860-W863 WeakPolarHBondContact O-CB 3.47Å; A860-W863 PolarHBondContact O-N 3.33Å; A860-Y864 HydrophobicContact CB-CE2 4.34Å; A860-Y864 WeakPolarHBondContact O-CD2 3.4Å; A860-Y864 PolarHBondContact O-N 2.62Å |
| 861 | R | 55.4 | Low | 53.9 | Low | 178 Ų | 178 | 70.8 Ų | 70.8 | 67% | 0.672 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.7 | -47.7 | 179.4 | -175.7 | 175 | 175.5 | 179.6 | -2.8 | 112.1 | N857 V858 A859 Y864 H865 | N857-R861 VanDerWaalsContact O-CB 3.31Å; N857-R861 WeakPolarHBondContact O-CB 3.33Å; N857-R861 PolarHBondContact O-N 3.08Å; V858-R861 PolarHBondContact O-N 3.06Å; A859-R861 PolarHBondContact O-N 3.31Å; R861-Y864 PolarHBondContact O-N 2.86Å; R861-H865 PolarHBondContact O-CD2 3.3Å; R861-H865 PolarHBondContact O-N 2.63Å; R861-H865 VanDerWaalsContact O-N 3.17Å |
| 862 | T | 52.3 | Low | 53.7 | Low | 12 Ų | 12 | 68.8 Ų | 68.8 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 177.4 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | L827 E828 V858 A859 A860 Y864 H865 L866 | L827-T862 HydrophobicContact CD2-CG2 3.88Å; L827-T862 WeakPolarHBondContact CD2-OG1 3.5Å; E828-T862 HydrophobicContact CG-CG2 4.45Å; V858-T862 PolarHBondContact O-N 2.98Å; V858-T862 PolarHBondContact O-OG1 3.35Å; A859-T862 PolarHBondContact O-N 3.12Å; A860-T862 PolarHBondContact O-N 3.49Å; T862-Y864 VanDerWaalsContact C-N 3.34Å; T862-Y864 PolarHBondContact O-N 3.2Å; T862-H865 PolarHBondContact O-N 3.45Å; T862-L866 WeakPolarHBondContact O-CG 3.5Å; T862-L866 PolarHBondContact O-N 3.45Å |
| 863 | W | 56.5 | Low | 53.1 | Low | 6 Ų | 6 | 72.9 Ų | 72.9 | 2% | 0.023 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -54.9 | -47.9 | 176.1 | -177.7 | -100.2 | 0 | 0 | 0 | 112.2 | K736 F737 L740 A859 A860 H865 L866 R871 L875 | K736-W863 HydrophobicContact CB-CZ2 4.38Å; F737-W863 HydrophobicContact CD2-CB 3.88Å; F737-W863 AromaticContact CD2-CD1 3.91Å; F737-W863 HydrophobicContact CD2-CD2 4.2Å; F737-W863 AromaticContact CD2-CG 3.72Å; F737-W863 HydrophobicContact CD2-CG 3.72Å; F737-W863 HydrophobicContact CE2-CB 4.06Å; F737-W863 HydrophobicContact CE2-CG 4.39Å; L740-W863 HydrophobicContact CD1-CE3 4.45Å; L740-W863 HydrophobicContact CD1-CH2 4.46Å; L740-W863 HydrophobicContact CD1-CZ3 3.86Å; L740-W863 HydrophobicContact CD2-CE3 4.34Å; A859-W863 VanDerWaalsContact O-CB 3.25Å; A859-W863 WeakPolarHBondContact O-CB 3.44Å; A859-W863 PolarHBondContact O-N 3.26Å; A860-W863 WeakPolarHBondContact O-CB 3.47Å; A860-W863 PolarHBondContact O-N 3.33Å; W863-H865 VanDerWaalsContact C-N 3.26Å; W863-H865 PolarHBondContact O-N 2.93Å; W863-L866 PolarHBondContact O-N 2.93Å; W863-R871 HydrophobicContact CD2-CG 4.15Å; W863-R871 HydrophobicContact CE3-CG 4.17Å; W863-R871 HydrophobicContact CH2-CB 3.68Å; W863-R871 HydrophobicContact CH2-CG 3.97Å; W863-R871 HydrophobicContact CZ2-CB 3.96Å; W863-R871 HydrophobicContact CZ2-CG 3.94Å; W863-R871 HydrophobicContact CZ3-CB 4.05Å; W863-R871 HydrophobicContact CZ3-CG 4.08Å; W863-R871 PolarHBondContact O-NE 3.4Å; W863-R871 PolarHBondContact O-NH2 3.39Å; W863-L875 HydrophobicContact CH2-CD1 3.86Å; W863-L875 HydrophobicContact CH2-CD2 4.21Å; W863-L875 HydrophobicContact CH2-CG 3.88Å; W863-L875 HydrophobicContact CZ3-CG 4.37Å |
| 864 | Y | 58.7 | Low | 52.5 | Low | 129 Ų | 129 | 65.8 Ų | 65.8 | 51% | 0.506 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.7 | -20 | 178.7 | -72.4 | -62.3 | 0 | 0 | 0 | 114.1 | A860 R861 T862 R871 | A860-Y864 HydrophobicContact CB-CE2 4.34Å; A860-Y864 WeakPolarHBondContact O-CD2 3.4Å; A860-Y864 PolarHBondContact O-N 2.62Å; R861-Y864 PolarHBondContact O-N 2.86Å; T862-Y864 VanDerWaalsContact C-N 3.34Å; T862-Y864 PolarHBondContact O-N 3.2Å; Y864-R871 PolarHBondContact O-NH2 3.43Å |
| 865 | H | 52.5 | Low | 52.1 | Low | 129 Ų | 129 | 65.3 Ų | 65.3 | 60% | 0.597 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -82.8 | -15.6 | 174.2 | -74.3 | -54.3 | 0 | 0 | 0 | 114.1 | R861 T862 W863 | R861-H865 PolarHBondContact O-CD2 3.3Å; R861-H865 PolarHBondContact O-N 2.63Å; R861-H865 VanDerWaalsContact O-N 3.17Å; T862-H865 PolarHBondContact O-N 3.45Å; W863-H865 VanDerWaalsContact C-N 3.26Å; W863-H865 PolarHBondContact O-N 2.93Å |
| 866 | L | 47 | Very low | 52 | Low | 17 Ų | 17 | 69.1 Ų | 69.1 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -80.8 | 147.4 | 178.5 | -63.7 | 167.8 | 0 | 0 | 0 | 111.9 | F831 T862 W863 E870 R871 | F831-L866 HydrophobicContact CD1-CD1 3.32Å; F831-L866 HydrophobicContact CD1-CD2 4.21Å; F831-L866 HydrophobicContact CD1-CG 4.39Å; F831-L866 HydrophobicContact CE1-CD1 3.19Å; F831-L866 HydrophobicContact CG-CD1 4.34Å; F831-L866 HydrophobicContact CZ-CD1 4.18Å; T862-L866 WeakPolarHBondContact O-CG 3.5Å; T862-L866 PolarHBondContact O-N 3.45Å; W863-L866 PolarHBondContact O-N 2.93Å; L866-E870 HydrophobicContact CB-CB 4.13Å; L866-E870 HydrophobicContact CD2-CB 4.11Å; L866-R871 HydrophobicContact CB-CG 3.78Å; L866-R871 HydrophobicContact CD1-CG 4.4Å; L866-R871 VanDerWaalsContact O-CZ 3.29Å; L866-R871 PolarHBondContact O-NE 3.07Å; L866-R871 PolarHBondContact O-NH2 3.47Å |
| 867 | T | 49.5 | Very low | 52 | Low | 77 Ų | 77 | 68.8 Ų | 68.8 | 47% | 0.472 | 34% | 0.335 | S | S | . | . | trans | -69.6 | 159.7 | 167.3 | 64 | 0 | 0 | 0 | 0 | 111.2 | L869 E870 R871 | T867-L869 PolarHBondContact O-N 3.21Å; T867-E870 WeakPolarHBondContact CB-OE2 3.31Å; T867-E870 WeakPolarHBondContact CG2-OE2 3.38Å; T867-E870 PolarHBondContact N-OE2 2.83Å; T867-E870 PolarHBondContact O-N 3.32Å; T867-E870 VanDerWaalsContact O-N 3.08Å; T867-E870 WeakPolarHBondContact OG1-CG 3.2Å; T867-E870 PolarHBondContact OG1-N 3.29Å; T867-E870 PolarHBondContact OG1-OE2 3.4Å; T867-R871 WeakPolarHBondContact O-CG 3.47Å; T867-R871 PolarHBondContact O-N 2.93Å | ||
| 868 | E | 48.3 | Very low | 51.7 | Low | 140 Ų | 140 | 64.5 Ų | 64.5 | 65% | 0.654 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.2 | -37.2 | 179.3 | -171.7 | 176.1 | -174.2 | 0 | 0 | 113.1 | S872 | E868-S872 WeakPolarHBondContact O-CB 3.42Å; E868-S872 PolarHBondContact O-N 3.25Å; E868-S872 PolarHBondContact O-OG 2.85Å |
| 869 | L | 48.3 | Very low | 51.6 | Low | 111 Ų | 111 | 67.1 Ų | 67.1 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.7 | -42.6 | 175.7 | -177.3 | 64.8 | 0 | 0 | 0 | 111.8 | T867 S872 K873 | T867-L869 PolarHBondContact O-N 3.21Å; L869-S872 PolarHBondContact O-N 2.87Å; L869-K873 HydrophobicContact CG-CD 4.45Å; L869-K873 WeakPolarHBondContact O-CG 3.42Å; L869-K873 PolarHBondContact O-N 3.34Å |
| 870 | E | 45.8 | Very low | 51.5 | Low | 73 Ų | 73 | 72.7 Ų | 72.7 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 178.3 | -70 | 164.8 | 148.5 | 0 | 0 | 111.5 | L835 L866 T867 K873 A874 | L835-E870 HydrophobicContact CD1-CB 4.03Å; L835-E870 HydrophobicContact CD1-CG 4.09Å; L866-E870 HydrophobicContact CB-CB 4.13Å; L866-E870 HydrophobicContact CD2-CB 4.11Å; T867-E870 WeakPolarHBondContact CB-OE2 3.31Å; T867-E870 WeakPolarHBondContact CG2-OE2 3.38Å; T867-E870 PolarHBondContact N-OE2 2.83Å; T867-E870 PolarHBondContact O-N 3.32Å; T867-E870 VanDerWaalsContact O-N 3.08Å; T867-E870 WeakPolarHBondContact OG1-CG 3.2Å; T867-E870 PolarHBondContact OG1-N 3.29Å; T867-E870 PolarHBondContact OG1-OE2 3.4Å; E870-K873 PolarHBondContact O-N 3.07Å; E870-A874 WeakPolarHBondContact O-CB 3.34Å; E870-A874 PolarHBondContact O-N 3.5Å |
| 871 | R | 48.8 | Very low | 51.4 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 172.6 | -70 | 178.2 | -169.7 | 157.3 | 17.5 | 111.8 | E733 W863 Y864 L866 T867 A874 L875 | E733-R871 IonicContact OE2-CZ 2.77Å; E733-R871 IonicContact OE2-NH1 2.76Å; E733-R871 PolarHBondContact OE2-NH1 3.49Å; W863-R871 HydrophobicContact CD2-CG 4.15Å; W863-R871 HydrophobicContact CE3-CG 4.17Å; W863-R871 HydrophobicContact CH2-CB 3.68Å; W863-R871 HydrophobicContact CH2-CG 3.97Å; W863-R871 HydrophobicContact CZ2-CB 3.96Å; W863-R871 HydrophobicContact CZ2-CG 3.94Å; W863-R871 HydrophobicContact CZ3-CB 4.05Å; W863-R871 HydrophobicContact CZ3-CG 4.08Å; W863-R871 PolarHBondContact O-NE 3.4Å; W863-R871 PolarHBondContact O-NH2 3.39Å; Y864-R871 PolarHBondContact O-NH2 3.43Å; L866-R871 HydrophobicContact CB-CG 3.78Å; L866-R871 HydrophobicContact CD1-CG 4.4Å; L866-R871 VanDerWaalsContact O-CZ 3.29Å; L866-R871 PolarHBondContact O-NE 3.07Å; L866-R871 PolarHBondContact O-NH2 3.47Å; T867-R871 WeakPolarHBondContact O-CG 3.47Å; T867-R871 PolarHBondContact O-N 2.93Å; R871-A874 PolarHBondContact O-N 3.01Å; R871-L875 WeakPolarHBondContact O-CG 3.4Å; R871-L875 PolarHBondContact O-N 3.48Å |
| 872 | S | 49.6 | Very low | 51.1 | Low | 62 Ų | 62 | 65.7 Ų | 65.7 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | -179.9 | -59.3 | 0 | 0 | 0 | 0 | 112 | E868 L869 L875 V876 | E868-S872 WeakPolarHBondContact O-CB 3.42Å; E868-S872 PolarHBondContact O-N 3.25Å; E868-S872 PolarHBondContact O-OG 2.85Å; L869-S872 PolarHBondContact O-N 2.87Å; S872-L875 PolarHBondContact O-N 3.16Å; S872-V876 WeakPolarHBondContact O-CG2 3.4Å; S872-V876 PolarHBondContact O-N 3.28Å |
| 873 | K | 47.7 | Very low | 51.1 | Low | 119 Ų | 119 | 67.6 Ų | 67.6 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 177.1 | -73.5 | 179.5 | 177.2 | -175.2 | 0 | 112.5 | L835 L869 E870 V876 W877 | L835-K873 HydrophobicContact CD2-CB 3.43Å; L835-K873 VanDerWaalsContact CD2-CB 3.43Å; L835-K873 HydrophobicContact CD2-CD 4.09Å; L835-K873 HydrophobicContact CD2-CG 4.42Å; L869-K873 HydrophobicContact CG-CD 4.45Å; L869-K873 WeakPolarHBondContact O-CG 3.42Å; L869-K873 PolarHBondContact O-N 3.34Å; E870-K873 PolarHBondContact O-N 3.07Å; K873-V876 PolarHBondContact O-N 2.92Å; K873-W877 PolarHBondContact O-N 2.94Å; K873-W877 VanDerWaalsContact O-N 3.1Å |
| 874 | A | 50.4 | Low | 51 | Low | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F831 E870 R871 V876 W877 L878 | F831-A874 HydrophobicContact CD1-CB 3.83Å; F831-A874 HydrophobicContact CE1-CB 3.14Å; F831-A874 HydrophobicContact CZ-CB 3.79Å; E870-A874 WeakPolarHBondContact O-CB 3.34Å; E870-A874 PolarHBondContact O-N 3.5Å; R871-A874 PolarHBondContact O-N 3.01Å; A874-V876 PolarHBondContact O-N 3.1Å; A874-W877 PolarHBondContact O-N 2.92Å; A874-L878 WeakPolarHBondContact O-CB 3.46Å; A874-L878 PolarHBondContact O-N 3.47Å |
| 875 | L | 51.3 | Low | 50.5 | Low | 28 Ų | 28 | 65.4 Ų | 65.4 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58 | -46.3 | 176.1 | -77.3 | 166.7 | 0 | 0 | 0 | 111.9 | W739 L740 W863 R871 S872 L878 K879 | W739-L875 HydrophobicContact CE3-CD2 4.15Å; W739-L875 HydrophobicContact CZ3-CD2 3.99Å; L740-L875 HydrophobicContact CB-CD2 4.22Å; L740-L875 HydrophobicContact CD1-CD2 3.51Å; L740-L875 HydrophobicContact CD1-CG 4.35Å; L740-L875 HydrophobicContact CG-CD2 4.48Å; W863-L875 HydrophobicContact CH2-CD1 3.86Å; W863-L875 HydrophobicContact CH2-CD2 4.21Å; W863-L875 HydrophobicContact CH2-CG 3.88Å; W863-L875 HydrophobicContact CZ3-CG 4.37Å; R871-L875 WeakPolarHBondContact O-CG 3.4Å; R871-L875 PolarHBondContact O-N 3.48Å; S872-L875 PolarHBondContact O-N 3.16Å; L875-L878 PolarHBondContact O-N 2.72Å; L875-K879 PolarHBondContact O-N 2.87Å; L875-K879 VanDerWaalsContact O-N 3.12Å |
| 876 | V | 53.1 | Low | 50.4 | Low | 91 Ų | 91 | 65 Ų | 65 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 179.3 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | S872 K873 A874 L878 K879 H880 | S872-V876 WeakPolarHBondContact O-CG2 3.4Å; S872-V876 PolarHBondContact O-N 3.28Å; K873-V876 PolarHBondContact O-N 2.92Å; A874-V876 PolarHBondContact O-N 3.1Å; V876-L878 PolarHBondContact O-N 3.32Å; V876-K879 PolarHBondContact O-N 3.15Å; V876-H880 PolarHBondContact O-N 3.36Å; V876-H880 VanDerWaalsContact O-N 3.15Å |
| 877 | W | 55.1 | Low | 50.6 | Low | 82 Ų | 82 | 68.3 Ų | 68.3 | 31% | 0.311 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 178.4 | 172.5 | 80.2 | 0 | 0 | 0 | 112.8 | L845 K873 A874 H880 T881 | L845-W877 HydrophobicContact CD2-CH2 4.46Å; L845-W877 HydrophobicContact CD2-CZ3 4.45Å; K873-W877 PolarHBondContact O-N 2.94Å; K873-W877 VanDerWaalsContact O-N 3.1Å; A874-W877 PolarHBondContact O-N 2.92Å; W877-H880 PolarHBondContact O-N 3.01Å; W877-T881 WeakPolarHBondContact O-CB 3.49Å; W877-T881 PolarHBondContact O-N 3.24Å; W877-T881 PolarHBondContact O-OG1 3.01Å |
| 878 | L | 51.3 | Low | 50.6 | Low | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | -179.5 | -122.4 | 138.5 | 0 | 0 | 0 | 111.3 | L740 V744 A874 L875 V876 H880 T881 V882 | L740-L878 HydrophobicContact CD1-CD1 4.42Å; V744-L878 HydrophobicContact CG2-CD2 3.71Å; A874-L878 WeakPolarHBondContact O-CB 3.46Å; A874-L878 PolarHBondContact O-N 3.47Å; L875-L878 PolarHBondContact O-N 2.72Å; V876-L878 PolarHBondContact O-N 3.32Å; L878-H880 VanDerWaalsContact C-N 3.32Å; L878-H880 PolarHBondContact O-N 2.93Å; L878-T881 PolarHBondContact O-N 3.33Å; L878-V882 WeakPolarHBondContact O-CG2 3.5Å; L878-V882 PolarHBondContact O-N 2.79Å |
| 879 | K | 53 | Low | 50.3 | Low | 74 Ų | 74 | 67.3 Ų | 67.3 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.9 | -45.1 | 175.9 | -171.3 | 173.9 | 178.8 | 174.5 | 0 | 111.5 | E724 L875 V876 V882 A883 | E724-K879 IonicContact OE2-NZ 2.83Å; E724-K879 PolarHBondContact OE2-NZ 2.85Å; L875-K879 PolarHBondContact O-N 2.87Å; L875-K879 VanDerWaalsContact O-N 3.12Å; V876-K879 PolarHBondContact O-N 3.15Å; K879-V882 PolarHBondContact O-N 3.47Å; K879-A883 WeakPolarHBondContact O-CB 3.33Å; K879-A883 PolarHBondContact O-N 3.22Å |
| 880 | H | 52.9 | Low | 50.2 | Low | 124 Ų | 124 | 68.6 Ų | 68.6 | 57% | 0.574 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.5 | -39.3 | 178.5 | -168.1 | 73.5 | 0 | 0 | 0 | 112.8 | V876 W877 L878 A883 S884 | V876-H880 PolarHBondContact O-N 3.36Å; V876-H880 VanDerWaalsContact O-N 3.15Å; W877-H880 PolarHBondContact O-N 3.01Å; L878-H880 VanDerWaalsContact C-N 3.32Å; L878-H880 PolarHBondContact O-N 2.93Å; H880-A883 PolarHBondContact O-N 2.83Å; H880-S884 WeakPolarHBondContact O-CB 3.28Å; H880-S884 PolarHBondContact O-N 2.72Å |
| 881 | T | 51.7 | Low | 50.1 | Low | 34 Ų | 34 | 73.1 Ų | 73.1 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | W877 L878 L885 | W877-T881 WeakPolarHBondContact O-CB 3.49Å; W877-T881 PolarHBondContact O-N 3.24Å; W877-T881 PolarHBondContact O-OG1 3.01Å; L878-T881 PolarHBondContact O-N 3.33Å; T881-L885 HydrophobicContact CG2-CD1 4.46Å; T881-L885 WeakPolarHBondContact O-CG 3.32Å; T881-L885 PolarHBondContact O-N 2.85Å; T881-L885 VanDerWaalsContact O-N 3.15Å |
| 882 | V | 49 | Very low | 49.6 | Very low | 16 Ų | 16 | 79.6 Ų | 79.6 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 176 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | I743 A747 L878 K879 S884 L885 R886 | I743-V882 HydrophobicContact CG2-CG2 4.32Å; A747-V882 HydrophobicContact CB-CB 4.42Å; A747-V882 HydrophobicContact CB-CG1 4Å; A747-V882 HydrophobicContact CB-CG2 3.54Å; L878-V882 WeakPolarHBondContact O-CG2 3.5Å; L878-V882 PolarHBondContact O-N 2.79Å; K879-V882 PolarHBondContact O-N 3.47Å; V882-S884 PolarHBondContact O-N 3.4Å; V882-L885 PolarHBondContact O-N 2.75Å; V882-R886 PolarHBondContact O-N 3.07Å |
| 883 | A | 53.1 | Low | 48.8 | Very low | 52 Ų | 52 | 87.5 Ų | 87.5 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | K879 H880 L885 R886 E887 | K879-A883 WeakPolarHBondContact O-CB 3.33Å; K879-A883 PolarHBondContact O-N 3.22Å; H880-A883 PolarHBondContact O-N 2.83Å; A883-L885 VanDerWaalsContact C-N 3.29Å; A883-L885 PolarHBondContact O-N 3.36Å; A883-R886 PolarHBondContact O-N 2.74Å; A883-E887 PolarHBondContact O-N 3.02Å |
| 884 | S | 54 | Low | 48.1 | Very low | 35 Ų | 35 | 87.4 Ų | 87.4 | 25% | 0.245 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | H880 V882 K888 | H880-S884 WeakPolarHBondContact O-CB 3.28Å; H880-S884 PolarHBondContact O-N 2.72Å; V882-S884 PolarHBondContact O-N 3.4Å; S884-K888 WeakPolarHBondContact O-CB 3.35Å; S884-K888 VanDerWaalsContact O-CG 3.31Å; S884-K888 WeakPolarHBondContact O-CG 3.31Å; S884-K888 PolarHBondContact O-N 3.25Å; S884-K888 VanDerWaalsContact O-N 3.15Å |
| 885 | L | 48.4 | Very low | 47.3 | Very low | 54 Ų | 54 | 91.5 Ų | 91.5 | 28% | 0.283 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 175.3 | -75.8 | 167.5 | 0 | 0 | 0 | 111.8 | L846 T881 V882 A883 K888 L889 | L846-L885 HydrophobicContact CD1-CD1 3.23Å; T881-L885 HydrophobicContact CG2-CD1 4.46Å; T881-L885 WeakPolarHBondContact O-CG 3.32Å; T881-L885 PolarHBondContact O-N 2.85Å; T881-L885 VanDerWaalsContact O-N 3.15Å; V882-L885 PolarHBondContact O-N 2.75Å; A883-L885 VanDerWaalsContact C-N 3.29Å; A883-L885 PolarHBondContact O-N 3.36Å; L885-K888 PolarHBondContact O-N 2.96Å; L885-L889 PolarHBondContact O-N 2.9Å; L885-L889 VanDerWaalsContact O-N 3.12Å |
| 886 | R | 49.1 | Very low | 46.5 | Very low | 121 Ų | 121 | 93.1 Ų | 93.1 | 46% | 0.457 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 174 | -73 | -177.3 | 175.2 | -175 | -4.3 | 112.4 | D750 V882 A883 K888 L889 D890 | D750-R886 IonicContact OD1-NH2 2.86Å; D750-R886 IonicContact OD2-CZ 3.79Å; D750-R886 VanDerWaalsContact OD2-CZ 3.29Å; D750-R886 IonicContact OD2-NE 3.91Å; D750-R886 PolarHBondContact OD2-NE 3.38Å; D750-R886 IonicContact OD2-NH2 3.29Å; D750-R886 PolarHBondContact OD2-NH2 3.11Å; V882-R886 PolarHBondContact O-N 3.07Å; A883-R886 PolarHBondContact O-N 2.74Å; R886-K888 VanDerWaalsContact C-N 3.29Å; R886-K888 PolarHBondContact O-N 3.31Å; R886-L889 WeakPolarHBondContact O-CA 3.29Å; R886-L889 WeakPolarHBondContact O-CB 3.48Å; R886-L889 PolarHBondContact O-N 2.93Å; R886-D890 PolarHBondContact O-N 3.32Å; R886-D890 VanDerWaalsContact O-N 3.14Å |
| 887 | E | 52.2 | Low | 45.5 | Very low | 85 Ų | 85 | 92.3 Ų | 92.3 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 177.3 | -169.6 | -169.9 | 178.5 | 0 | 0 | 112.3 | A883 L889 D890 R891 | A883-E887 PolarHBondContact O-N 3.02Å; E887-L889 VanDerWaalsContact C-N 3.26Å; E887-L889 PolarHBondContact O-N 3.48Å; E887-D890 PolarHBondContact O-N 2.94Å; E887-R891 WeakPolarHBondContact O-CG 3.35Å; E887-R891 PolarHBondContact O-N 3.41Å; E887-R891 IonicContact OE1-CZ 3.19Å; E887-R891 IonicContact OE1-NE 2.73Å; E887-R891 IonicContact OE1-NH1 3.66Å; E887-R891 PolarHBondContact OE1-NH1 3.31Å; E887-R891 IonicContact OE1-NH2 2.8Å; E887-R891 PolarHBondContact OE1-NH2 3.23Å |
| 888 | K | 50 | Low | 44.4 | Very low | 131 Ų | 131 | 97.8 Ų | 97.8 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.7 | -24.6 | 174 | -77.1 | 172.6 | -177.1 | 164.2 | 0 | 113 | S884 L885 R886 | S884-K888 WeakPolarHBondContact O-CB 3.35Å; S884-K888 VanDerWaalsContact O-CG 3.31Å; S884-K888 WeakPolarHBondContact O-CG 3.31Å; S884-K888 PolarHBondContact O-N 3.25Å; S884-K888 VanDerWaalsContact O-N 3.15Å; L885-K888 PolarHBondContact O-N 2.96Å; R886-K888 VanDerWaalsContact C-N 3.29Å; R886-K888 PolarHBondContact O-N 3.31Å |
| 889 | L | 42.1 | Very low | 43.5 | Very low | 65 Ų | 65 | 104.6 Ų | 104.6 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.5 | -53.8 | 173.1 | -172.1 | 72.3 | 0 | 0 | 0 | 110.1 | L754 L885 R886 E887 R891 R892 | L754-L889 HydrophobicContact CD1-CD1 4.05Å; L754-L889 HydrophobicContact CD2-CD1 3.05Å; L754-L889 HydrophobicContact CD2-CG 4.43Å; L754-L889 HydrophobicContact CG-CD1 3.37Å; L885-L889 PolarHBondContact O-N 2.9Å; L885-L889 VanDerWaalsContact O-N 3.12Å; R886-L889 WeakPolarHBondContact O-CA 3.29Å; R886-L889 WeakPolarHBondContact O-CB 3.48Å; R886-L889 PolarHBondContact O-N 2.93Å; E887-L889 VanDerWaalsContact C-N 3.26Å; E887-L889 PolarHBondContact O-N 3.48Å; L889-R891 VanDerWaalsContact C-N 3.27Å; L889-R891 PolarHBondContact O-N 2.84Å; L889-R892 PolarHBondContact O-N 2.99Å |
| 890 | D | 46 | Very low | 42.3 | Very low | 138 Ų | 138 | 107.3 Ų | 107.3 | 74% | 0.738 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.5 | -28.5 | -174 | -70.9 | -19.7 | 0 | 0 | 0 | 113.3 | R886 E887 R892 | R886-D890 PolarHBondContact O-N 3.32Å; R886-D890 VanDerWaalsContact O-N 3.14Å; E887-D890 PolarHBondContact O-N 2.94Å; D890-R892 PolarHBondContact O-N 2.72Å |
| 891 | R | 44 | Very low | 41.2 | Very low | 169 Ų | 169 | 107.1 Ų | 107.1 | 64% | 0.638 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5.6 | -176.5 | -73.1 | -174.4 | 176.4 | -179 | 6.2 | 115.4 | E887 L889 R893 | E887-R891 WeakPolarHBondContact O-CG 3.35Å; E887-R891 PolarHBondContact O-N 3.41Å; E887-R891 IonicContact OE1-CZ 3.19Å; E887-R891 IonicContact OE1-NE 2.73Å; E887-R891 IonicContact OE1-NH1 3.66Å; E887-R891 PolarHBondContact OE1-NH1 3.31Å; E887-R891 IonicContact OE1-NH2 2.8Å; E887-R891 PolarHBondContact OE1-NH2 3.23Å; L889-R891 VanDerWaalsContact C-N 3.27Å; L889-R891 PolarHBondContact O-N 2.84Å; R891-R893 PolarHBondContact O-N 3.21Å |
| 892 | R | 36.6 | Very low | 40.1 | Very low | 175 Ų | 175 | 110.8 Ų | 110.8 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | trans | -78.9 | 94.5 | -179 | -75.6 | -173.9 | 177.6 | -170.7 | 1.2 | 111.6 | L889 D890 | L889-R892 PolarHBondContact O-N 2.99Å; D890-R892 PolarHBondContact O-N 2.72Å | ||
| 893 | R | 32.9 | Very low | 39.2 | Very low | 228 Ų | 228 | 116.3 Ų | 116.3 | 86% | 0.86 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 136.9 | 165.1 | -68.4 | -174.8 | -176.6 | -174.4 | 1.1 | 110.1 | R891 V895 | R891-R893 PolarHBondContact O-N 3.21Å; R893-V895 PolarHBondContact O-N 3.42Å |
| 894 | P | 34.9 | Very low | 38 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 76% | 0.76 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.8 | 175.1 | 22.6 | -30.7 | 0 | 0 | 0 | 110.5 | D896 | P894-D896 PolarHBondContact O-N 3.36Š|
| 895 | V | 32.7 | Very low | 37 | Very low | 90 Ų | 90 | 122.2 Ų | 122.2 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 118 | -178.2 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | R893 P897 | R893-V895 PolarHBondContact O-N 3.42Å; V895-P897 WeakPolarHBondContact O-CD 3.46Å |
| 896 | D | 34.2 | Very low | 36.5 | Very low | 61 Ų | 61 | 125.1 Ų | 125.1 | 33% | 0.326 | 65% | 0.647 | S | S | . | * | trans | -77.6 | 115.4 | 175.8 | -168.6 | -31 | 0 | 0 | 0 | 110 | P894 R898 H899 | P894-D896 PolarHBondContact O-N 3.36Å; D896-R898 PolarHBondContact O-N 2.94Å; D896-R898 WeakPolarHBondContact OD1-CB 3.3Å; D896-R898 WeakPolarHBondContact OD1-CG 3.36Å; D896-R898 IonicContact OD1-CZ 2.64Å; D896-R898 PolarHBondContact OD1-N 3.49Å; D896-R898 VanDerWaalsContact OD1-N 3.11Å; D896-R898 IonicContact OD1-NE 2.81Å; D896-R898 PolarHBondContact OD1-NE 2.97Å; D896-R898 IonicContact OD1-NH2 2.95Å; D896-R898 IonicContact OD2-CZ 3.98Å; D896-R898 IonicContact OD2-NE 2.98Å; D896-R898 PolarHBondContact OD2-NE 2.68Å; D896-R898 VanDerWaalsContact OD2-NE 3.14Å; D896-R898 IonicContact OD2-NH2 3.75Å; D896-R898 PolarHBondContact OD2-NH2 3.08Å; D896-H899 PolarHBondContact O-ND1 2.69Å; D896-H899 VanDerWaalsContact O-ND1 3.12Å | ||
| 897 | P | 31.7 | Very low | 35.6 | Very low | 74 Ų | 74 | 122 Ų | 122 | 48% | 0.481 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -64.6 | -9 | -176.1 | -18.7 | 30.8 | 0 | 0 | 0 | 115 | V895 H899 F900 | V895-P897 WeakPolarHBondContact O-CD 3.46Å; P897-H899 PolarHBondContact O-N 3.17Å; P897-H899 VanDerWaalsContact O-N 3.1Å; P897-F900 WeakPolarHBondContact O-CD2 3.41Å; P897-F900 PolarHBondContact O-N 3.19Å |
| 898 | R | 33.6 | Very low | 34.5 | Very low | 197 Ų | 197 | 126.2 Ų | 126.2 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -66.1 | -8.9 | -178.9 | -73.3 | 179.5 | -85.4 | -171.5 | -4.7 | 114.9 | D896 F900 | D896-R898 PolarHBondContact O-N 2.94Å; D896-R898 WeakPolarHBondContact OD1-CB 3.3Å; D896-R898 WeakPolarHBondContact OD1-CG 3.36Å; D896-R898 IonicContact OD1-CZ 2.64Å; D896-R898 PolarHBondContact OD1-N 3.49Å; D896-R898 VanDerWaalsContact OD1-N 3.11Å; D896-R898 IonicContact OD1-NE 2.81Å; D896-R898 PolarHBondContact OD1-NE 2.97Å; D896-R898 IonicContact OD1-NH2 2.95Å; D896-R898 IonicContact OD2-CZ 3.98Å; D896-R898 IonicContact OD2-NE 2.98Å; D896-R898 PolarHBondContact OD2-NE 2.68Å; D896-R898 VanDerWaalsContact OD2-NE 3.14Å; D896-R898 IonicContact OD2-NH2 3.75Å; D896-R898 PolarHBondContact OD2-NH2 3.08Å; R898-F900 VanDerWaalsContact C-N 3.32Å; R898-F900 PolarHBondContact O-N 3.37Å |
| 899 | H | 31.6 | Very low | 33.4 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -81.8 | -2.4 | -179.7 | -65.6 | 96.9 | 0 | 0 | 0 | 114.9 | D896 P897 V901 | D896-H899 PolarHBondContact O-ND1 2.69Å; D896-H899 VanDerWaalsContact O-ND1 3.12Å; P897-H899 PolarHBondContact O-N 3.17Å; P897-H899 VanDerWaalsContact O-N 3.1Å; H899-V901 PolarHBondContact O-N 2.91Å |
| 900 | F | 28.7 | Very low | 32.6 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 58% | 0.575 | 70% | 0.699 | S | S | * | * | trans | -95.8 | 82.1 | 177 | -59.9 | -77.1 | 0 | 0 | 0 | 110.5 | P897 R898 | P897-F900 WeakPolarHBondContact O-CD2 3.41Å; P897-F900 PolarHBondContact O-N 3.19Å; R898-F900 VanDerWaalsContact C-N 3.32Å; R898-F900 PolarHBondContact O-N 3.37Å | ||
| 901 | V | 29.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 72% | 0.721 | 71% | 0.705 | S | S | * | * | trans | -102.6 | 126.6 | 168.5 | -173.8 | 0 | 0 | 0 | 0 | 109 | H899 V903 | H899-V901 PolarHBondContact O-N 2.91Å; V901-V903 PolarHBondContact O-N 3.19Å | ||
| 902 | S | 27.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | -67.9 | 118.1 | -178.7 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 903 | V | 29.9 | Very low | 29.9 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | -119.8 | 119.5 | 167.4 | -161.6 | 0 | 0 | 0 | 0 | 107.9 | V901 | V901-V903 PolarHBondContact O-N 3.19Š| ||
| 904 | A | 29.6 | Very low | 29.5 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | -69 | 131.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A906 | A904-A906 PolarHBondContact O-N 3.15Š| ||
| 905 | P | 33.1 | Very low | 29 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -73.1 | 125.1 | -176.4 | 26.4 | -31.3 | 0 | 0 | 0 | 111.7 | G907 | P905-G907 VanDerWaalsContact C-N 3.3Å; P905-G907 PolarHBondContact O-N 3.49Å | ||
| 906 | A | 36.3 | Very low | 28.7 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 95% | 0.95 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -77.9 | 78.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A904 | A904-A906 PolarHBondContact O-N 3.15Š|
| 907 | G | 31.9 | Very low | 28.3 | Very low | 57 Ų | 57 | 138.2 Ų | 138.2 | 59% | 0.588 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 97.9 | 156.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | P905 | P905-G907 VanDerWaalsContact C-N 3.3Å; P905-G907 PolarHBondContact O-N 3.49Å |
| 908 | E | 29 | Very low | 28.2 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | -76.2 | 122.5 | -172.8 | -152.6 | 177.9 | -147.4 | 0 | 0 | 111.3 | K910 | E908-K910 PolarHBondContact O-N 3.44Å; E908-K910 VanDerWaalsContact O-N 3.15Å | ||
| 909 | I | 26.6 | Very low | 28.1 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 67% | 0.672 | 73% | 0.726 | S | S | * | * | trans | -72 | 105.9 | 179.8 | -59.1 | 172.7 | 0 | 0 | 0 | 109.1 | W911 | I909-W911 HydrophobicContact CG2-CD2 4.45Å; I909-W911 HydrophobicContact CG2-CZ2 4.18Å | ||
| 910 | K | 24.5 | Very low | 28.1 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 77% | 0.774 | 71% | 0.712 | S | S | * | * | trans | -93.8 | 114.6 | 171.8 | -74.1 | -173 | 177 | -179.1 | 0 | 111 | E908 | E908-K910 PolarHBondContact O-N 3.44Å; E908-K910 VanDerWaalsContact O-N 3.15Å | ||
| 911 | W | 25.2 | Very low | 28.1 | Very low | 227 Ų | 227 | 124.5 Ų | 124.5 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 122.2 | 176.3 | -63.6 | 90.6 | 0 | 0 | 0 | 110.6 | I909 | I909-W911 HydrophobicContact CG2-CD2 4.45Å; I909-W911 HydrophobicContact CG2-CZ2 4.18Å |
| 912 | L | 21.4 | Very low | 28.1 | Very low | 174 Ų | 174 | 123.1 Ų | 123.1 | 91% | 0.911 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -82 | 123.7 | 173.6 | -77.1 | 161.4 | 0 | 0 | 0 | 110.3 | ||
| 913 | Q | 23.1 | Very low | 28.1 | Very low | 182 Ų | 182 | 125.7 Ų | 125.7 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 128.6 | 175.3 | -91.1 | -174.1 | -21.5 | 0 | 0 | 111.5 | ||
| 914 | P | 24.9 | Very low | 28 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 132.3 | 172.7 | 4.5 | 13.9 | 0 | 0 | 0 | 111.8 | ||
| 915 | V | 23.5 | Very low | 27.9 | Very low | 129 Ų | 129 | 131 Ų | 131 | 78% | 0.782 | 71% | 0.706 | S | S | * | * | trans | -117.4 | 118.6 | 173.5 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 916 | M | 27.2 | Very low | 27.6 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | trans | 179.3 | 109.1 | 133.7 | -92.6 | -90.5 | -74.7 | 0 | 0 | 107.2 | A298 | A298-M916 HydrophobicContact CB-CE 3.93Š| ||
| 917 | I | 26.8 | Very low | 27.1 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | trans | -90.3 | 137.5 | -176.1 | -66.3 | 170.2 | 0 | 0 | 0 | 109 | S919 | I917-S919 PolarHBondContact O-N 2.91Š| ||
| 918 | N | 28.8 | Very low | 26.9 | Very low | 52 Ų | 52 | 138.9 Ų | 138.9 | 28% | 0.278 | 71% | 0.706 | S | S | . | * | trans | -78.6 | 103.4 | 171.4 | -171.7 | 0.4 | 0 | 0 | 0 | 108.9 | L361 S920 | L361-N918 HydrophobicContact CD1-CB 4.05Å; N918-S920 PolarHBondContact ND2-OG 3.08Å; N918-S920 PolarHBondContact O-N 3.25Å; N918-S920 PolarHBondContact OD1-OG 3.2Å | ||
| 919 | S | 32.3 | Very low | 26.7 | Very low | 61 Ų | 61 | 143.1 Ų | 143.1 | 43% | 0.427 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -75.3 | 14.5 | -177.3 | 53 | 0 | 0 | 0 | 0 | 114.7 | I917 I921 D922 | I917-S919 PolarHBondContact O-N 2.91Å; S919-I921 PolarHBondContact O-N 3.21Å; S919-I921 VanDerWaalsContact O-N 3.16Å; S919-D922 WeakPolarHBondContact CA-OD2 3.35Å; S919-D922 WeakPolarHBondContact CB-OD2 3.29Å; S919-D922 PolarHBondContact O-N 2.96Å |
| 920 | S | 31.1 | Very low | 26.6 | Very low | 60 Ų | 60 | 144.8 Ų | 144.8 | 42% | 0.42 | 72% | 0.72 | S | S | . | * | G | 310 helix | trans | -76.5 | 10.1 | 173 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | N918 | N918-S920 PolarHBondContact ND2-OG 3.08Å; N918-S920 PolarHBondContact O-N 3.25Å; N918-S920 PolarHBondContact OD1-OG 3.2Å |
| 921 | I | 28.9 | Very low | 26.6 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 50% | 0.497 | 72% | 0.717 | S | S | . | * | G | 310 helix | trans | -120.1 | -0.1 | 168.6 | -62.1 | 179.7 | 0 | 0 | 0 | 112.1 | A401 S919 L923 | A401-I921 HydrophobicContact CB-CD1 3.56Å; S919-I921 PolarHBondContact O-N 3.21Å; S919-I921 VanDerWaalsContact O-N 3.16Å; I921-L923 VanDerWaalsContact C-N 3.25Å; I921-L923 PolarHBondContact O-N 2.89Å |
| 922 | D | 28.4 | Very low | 26.7 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 49% | 0.487 | 72% | 0.72 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | 45.1 | -173.9 | -67.3 | -23.1 | 0 | 0 | 0 | 114.3 | S919 | S919-D922 WeakPolarHBondContact CA-OD2 3.35Å; S919-D922 WeakPolarHBondContact CB-OD2 3.29Å; S919-D922 PolarHBondContact O-N 2.96Å |
| 923 | L | 27.7 | Very low | 26.9 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 87% | 0.869 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 17.7 | 160.1 | -84.1 | 170.1 | 0 | 0 | 0 | 112.9 | I921 | I921-L923 VanDerWaalsContact C-N 3.25Å; I921-L923 PolarHBondContact O-N 2.89Å |
| 924 | L | 27.2 | Very low | 27.1 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -132.9 | 16.3 | 174.4 | -80.1 | 174.1 | 0 | 0 | 0 | 115.6 | ||
| 925 | E | 27.3 | Very low | 27.2 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -122.6 | 53.2 | 165 | -69 | -169 | -178.2 | 0 | 0 | 110.9 | ||||
| 926 | D | 27.1 | Very low | 27.4 | Very low | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | trans | -77.7 | 126.6 | 145.4 | -108.6 | -22.8 | 0 | 0 | 0 | 107.6 | ||||
| 927 | Q | 26.6 | Very low | 27.4 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 98.9 | 109.4 | 169.6 | -52.8 | -171.2 | 3.7 | 0 | 0 | 117.6 | ||
| 928 | N | 27 | Very low | 27.4 | Very low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | trans | 94.9 | 78.6 | 150.2 | -55.8 | -28.4 | 0 | 0 | 0 | 117.6 | ||||
| 929 | W | 26 | Very low | 27.2 | Very low | 262 Ų | 262 | 139.2 Ų | 139.2 | 99% | 0.992 | 72% | 0.724 | S | S | * | * | -145.6 | 72.4 | 127.2 | -81.4 | 103.6 | 0 | 0 | 0 | 109.7 | |||||
| 930 | Q | 24 | Very low | 26.7 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -64.8 | 150.7 | 157.4 | -76.9 | -176.6 | -15.9 | 0 | 0 | 109.4 | ||||
| 931 | T | 24.8 | Very low | 26.4 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | 75.2 | 87.3 | 164.4 | 54.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 932 | I | 27.2 | Very low | 26 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 93% | 0.933 | 76% | 0.758 | S | S | * | * | -132.9 | 104.6 | 121.6 | -57.7 | -176.1 | 0 | 0 | 0 | 107.8 | |||||
| 933 | T | 25.4 | Very low | 25.7 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 63% | 0.632 | 78% | 0.775 | S | S | * | * | trans | -89.4 | 149.8 | 174.6 | 43.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 934 | N | 26.6 | Very low | 25.4 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 86.9 | 126 | 149.7 | -65.9 | 2.2 | 0 | 0 | 0 | 120.7 | ||||
| 935 | D | 27.6 | Very low | 25.3 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 91.7 | 102.3 | 143.3 | -55.7 | -17.2 | 0 | 0 | 0 | 120.3 | ||||
| 936 | D | 26.8 | Very low | 25.1 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 42.1 | 88.4 | 131.9 | -69.7 | -15.4 | 0 | 0 | 0 | 119.2 | ||||
| 937 | H | 28.7 | Very low | 25 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -141 | 90.1 | 144.5 | -78.5 | -57.1 | 0 | 0 | 0 | 111.1 | V939 | H937-V939 PolarHBondContact O-N 2.65Å; H937-V939 VanDerWaalsContact O-N 3.12Å | ||
| 938 | V | 24.9 | Very low | 25.1 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -58.7 | 106.9 | 159.9 | 175.9 | 0 | 0 | 0 | 0 | 107.9 | H940 | V938-H940 PolarHBondContact O-N 3.43Å; V938-H940 VanDerWaalsContact O-N 3.16Å | ||
| 939 | V | 25.7 | Very low | 26.1 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -79.5 | 94.5 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | H937 V941 | H937-V939 PolarHBondContact O-N 2.65Å; H937-V939 VanDerWaalsContact O-N 3.12Å; V939-V941 HydrophobicContact CG1-CG2 3.6Å; V939-V941 PolarHBondContact O-N 3Å | ||
| 940 | H | 21.1 | Very low | 27.3 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | -72.9 | 107 | 161.2 | -98.8 | -88.3 | 0 | 0 | 0 | 108.7 | V938 | V938-H940 PolarHBondContact O-N 3.43Å; V938-H940 VanDerWaalsContact O-N 3.16Å | ||
| 941 | V | 24.4 | Very low | 27.4 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 62% | 0.618 | 78% | 0.776 | S | S | * | * | trans | -98.6 | 86.1 | 167.7 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | V939 F943 | V939-V941 HydrophobicContact CG1-CG2 3.6Å; V939-V941 PolarHBondContact O-N 3Å; V941-F943 HydrophobicContact CG1-CE2 4.28Å; V941-F943 PolarHBondContact O-N 3.46Å | ||
| 942 | D | 21.9 | Very low | 27.6 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -79.1 | 117.6 | 170.6 | -83.9 | -29.2 | 0 | 0 | 0 | 110.2 | C944 | D942-C944 PolarHBondContact O-N 2.88Š| ||
| 943 | F | 22.2 | Very low | 27.7 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -76.9 | 105 | 169.9 | -75.6 | -97.3 | 0 | 0 | 0 | 109.5 | V941 | V941-F943 HydrophobicContact CG1-CE2 4.28Å; V941-F943 PolarHBondContact O-N 3.46Å | ||
| 944 | C | 21.1 | Very low | 27.9 | Very low | 127 Ų | 127 | 157 Ų | 157 | 86% | 0.858 | 80% | 0.804 | S | S | * | * | trans | -110.5 | 101.7 | 165.6 | -92.3 | 0 | 0 | 0 | 0 | 110.7 | D942 | D942-C944 PolarHBondContact O-N 2.88Š| ||
| 945 | L | 24.1 | Very low | 27.9 | Very low | 161 Ų | 161 | 158 Ų | 158 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -84.1 | 127.6 | 151.7 | -74.1 | 159.9 | 0 | 0 | 0 | 107.7 | ||||
| 946 | T | 24.1 | Very low | 27.9 | Very low | 131 Ų | 131 | 159.4 Ų | 159.4 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 156.9 | 129.5 | 133.1 | 42.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 947 | Q | 24.8 | Very low | 28 | Very low | 174 Ų | 174 | 160.5 Ų | 160.5 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 39.5 | 128.3 | 139.8 | -57.6 | -173.5 | -7.4 | 0 | 0 | 123.3 | ||||
| 948 | Q | 28.2 | Very low | 28 | Very low | 171 Ų | 171 | 159.4 Ų | 159.4 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | 171.9 | 153.3 | 98.5 | -92.6 | -166.9 | -10.6 | 0 | 0 | 112.6 | |||||
| 949 | P | 47.9 | Very low | 28.2 | Very low | 119 Ų | 119 | 161.8 Ų | 161.8 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -94.2 | 144.5 | 175.6 | 36.2 | -28.7 | 0 | 0 | 0 | 112 | ||||
| 950 | I | 50.9 | Low | 28.4 | Very low | 163 Ų | 163 | 164.9 Ų | 164.9 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | trans | -119.8 | 102.9 | 170.5 | -60.4 | 176.2 | 0 | 0 | 0 | 108.8 | ||||
| 951 | L | 26.8 | Very low | 28.9 | Very low | 175 Ų | 175 | 165.8 Ų | 165.8 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -97.6 | 108.5 | 153.5 | -98.9 | 161.4 | 0 | 0 | 0 | 106.6 | ||||
| 952 | Q | 29.7 | Very low | 29.3 | Very low | 179 Ų | 179 | 171.1 Ų | 171.1 | 84% | 0.836 | 86% | 0.856 | S | S | * | * | trans | -151.2 | 116.2 | 150.8 | -77.6 | -160.6 | -8.3 | 0 | 0 | 110.2 | ||||
| 953 | R | 29.7 | Very low | 30 | Very low | 325 Ų | 325 | 174.2 Ų | 174.2 | 100% | 1.226 | 87% | 0.867 | S | S | * | * | trans | 58 | 0 | 163.3 | -73.3 | -174.6 | 176.3 | 176.7 | -0.1 | 119.2 |
Retrieved 953 of 953 residues in 730.6 ms
(Link to these results)