| 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 | 68.1 | Low | 78.6 | Confident | 194 Ų | 194 | 116 Ų | 116 | 96% | 0.956 | 58% | 0.584 | S | S | * | * | 0 | -52.7 | 0 | -158.5 | 174.2 | -82.7 | 0 | 0 | 112 | A3 L4 I5 | M1-A3 PolarHBondContact O-N 2.85Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-I5 HydrophobicContact CG-CD1 4.22Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.1Å | |||
| 2 | L | 80.3 | Confident | 78.3 | Confident | 151 Ų | 151 | 114 Ų | 114 | 79% | 0.791 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -53.8 | -43.7 | 177.2 | -76.1 | 156.8 | 0 | 0 | 0 | 114.3 | L4 I5 S6 | L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.05Å; L2-I5 PolarHBondContact O-N 3.31Å; L2-S6 WeakPolarHBondContact O-CB 3.46Å; L2-S6 PolarHBondContact O-N 3.05Å; L2-S6 PolarHBondContact O-OG 2.8Å |
| 3 | A | 82.6 | Confident | 77.5 | Confident | 65 Ų | 65 | 116.5 Ų | 116.5 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -27.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1 S6 R7 | M1-A3 PolarHBondContact O-N 2.85Å; A3-S6 WeakPolarHBondContact CA-OG 3.45Å; A3-S6 PolarHBondContact O-OG 3.38Å; A3-S6 VanDerWaalsContact O-OG 3.05Å; A3-R7 WeakPolarHBondContact O-CB 3.29Å; A3-R7 VanDerWaalsContact O-CG 3.25Å; A3-R7 WeakPolarHBondContact O-CG 3.37Å; A3-R7 PolarHBondContact O-N 2.8Å |
| 4 | L | 83 | Confident | 76.8 | Confident | 123 Ų | 123 | 112.6 Ų | 112.6 | 64% | 0.644 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.9 | -44.1 | 176 | -172.4 | 73.2 | 0 | 0 | 0 | 109.9 | M1 L2 R7 L8 | M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.26Å; L2-L4 VanDerWaalsContact C-N 3.29Å; L2-L4 PolarHBondContact O-N 3.05Å; L4-R7 PolarHBondContact O-N 3.29Å; L4-L8 WeakPolarHBondContact O-CB 3.25Å; L4-L8 PolarHBondContact O-N 3.4Å |
| 5 | I | 88.9 | Confident | 76.1 | Confident | 85 Ų | 85 | 112.2 Ų | 112.2 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -42.3 | 176.2 | -64 | 170.1 | 0 | 0 | 0 | 110.5 | M1 L2 L8 L9 | M1-I5 HydrophobicContact CG-CD1 4.22Å; M1-I5 PolarHBondContact O-N 3.39Å; M1-I5 VanDerWaalsContact O-N 3.1Å; L2-I5 PolarHBondContact O-N 3.31Å; I5-L8 PolarHBondContact O-N 3.1Å; I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.21Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.27Å; I5-L9 PolarHBondContact O-N 3.36Å |
| 6 | S | 76.8 | Confident | 75.5 | Confident | 52 Ų | 52 | 115.7 Ų | 115.7 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.3 | -44.9 | 177.2 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | L2 A3 L8 L9 D10 | L2-S6 WeakPolarHBondContact O-CB 3.46Å; L2-S6 PolarHBondContact O-N 3.05Å; L2-S6 PolarHBondContact O-OG 2.8Å; A3-S6 WeakPolarHBondContact CA-OG 3.45Å; A3-S6 PolarHBondContact O-OG 3.38Å; A3-S6 VanDerWaalsContact O-OG 3.05Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.19Å; S6-L9 PolarHBondContact O-N 3.32Å; S6-D10 WeakPolarHBondContact O-CB 3.38Å; S6-D10 PolarHBondContact O-N 3.39Å |
| 7 | R | 75.3 | Confident | 75.2 | Confident | 192 Ų | 192 | 119.4 Ų | 119.4 | 73% | 0.725 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.9 | -39.7 | 174.2 | -76.4 | 178.3 | -178.9 | -175.5 | 1 | 112.4 | A3 L4 W11 | A3-R7 WeakPolarHBondContact O-CB 3.29Å; A3-R7 VanDerWaalsContact O-CG 3.25Å; A3-R7 WeakPolarHBondContact O-CG 3.37Å; A3-R7 PolarHBondContact O-N 2.8Å; L4-R7 PolarHBondContact O-N 3.29Å; R7-W11 VanDerWaalsContact O-CB 3.26Å; R7-W11 WeakPolarHBondContact O-CB 3.49Å; R7-W11 PolarHBondContact O-N 3.43Å |
| 8 | L | 81.8 | Confident | 75.1 | Confident | 92 Ų | 92 | 120.7 Ų | 120.7 | 48% | 0.482 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -41.4 | 178.2 | -158.6 | 117.2 | 0 | 0 | 0 | 111.1 | L4 I5 S6 W11 F12 | L4-L8 WeakPolarHBondContact O-CB 3.25Å; L4-L8 PolarHBondContact O-N 3.4Å; I5-L8 PolarHBondContact O-N 3.1Å; S6-L8 VanDerWaalsContact C-N 3.31Å; S6-L8 PolarHBondContact O-N 3.19Å; L8-W11 WeakPolarHBondContact O-CB 3.2Å; L8-W11 PolarHBondContact O-N 2.81Å; L8-F12 HydrophobicContact CD2-CD2 3.8Å; L8-F12 HydrophobicContact CD2-CE2 3.61Å; L8-F12 HydrophobicContact CG-CD2 4.16Å; L8-F12 HydrophobicContact CG-CE2 4.18Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.2Å; L8-F12 PolarHBondContact O-N 3.41Å |
| 9 | L | 78.4 | Confident | 75.7 | Confident | 86 Ų | 86 | 116.9 Ų | 116.9 | 45% | 0.45 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.8 | -39.9 | 174.5 | -74.1 | 172.3 | 0 | 0 | 0 | 112.1 | I5 S6 W11 F12 R13 | I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 HydrophobicContact CG2-CG 4.21Å; I5-L9 WeakPolarHBondContact O-CB 3.48Å; I5-L9 VanDerWaalsContact O-CG 3.29Å; I5-L9 WeakPolarHBondContact O-CG 3.27Å; I5-L9 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact O-N 3.32Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-F12 PolarHBondContact O-N 2.91Å; L9-R13 WeakPolarHBondContact O-CB 3.37Å; L9-R13 WeakPolarHBondContact O-CG 3.43Å; L9-R13 PolarHBondContact O-N 2.89Å |
| 10 | D | 75.5 | Confident | 76.4 | Confident | 93 Ų | 93 | 117.7 Ų | 117.7 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.1 | -39.2 | 175.2 | -71.3 | -25.8 | 0 | 0 | 0 | 110.9 | S6 S14 | S6-D10 WeakPolarHBondContact O-CB 3.38Å; S6-D10 PolarHBondContact O-N 3.39Å; D10-S14 WeakPolarHBondContact O-CB 3.49Å; D10-S14 PolarHBondContact O-N 3.48Å |
| 11 | W | 73.8 | Confident | 77.2 | Confident | 143 Ų | 143 | 112.2 Ų | 112.2 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 171.3 | 175.3 | 78.8 | 0 | 0 | 0 | 111.5 | R7 L8 L9 R13 S14 L15 | R7-W11 VanDerWaalsContact O-CB 3.26Å; R7-W11 WeakPolarHBondContact O-CB 3.49Å; R7-W11 PolarHBondContact O-N 3.43Å; L8-W11 WeakPolarHBondContact O-CB 3.2Å; L8-W11 PolarHBondContact O-N 2.81Å; L9-W11 VanDerWaalsContact C-N 3.33Å; W11-R13 PolarHBondContact O-N 2.89Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.16Å; W11-S14 VanDerWaalsContact O-N 3.13Å; W11-S14 PolarHBondContact O-OG 3.28Å; W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CE3-CD1 4.2Å; W11-L15 HydrophobicContact CH2-CD1 3.75Å; W11-L15 HydrophobicContact CZ2-CD1 3.77Å; W11-L15 HydrophobicContact CZ3-CD1 3.97Å; W11-L15 PolarHBondContact O-N 3.41Å; W11-L15 VanDerWaalsContact O-N 3.16Å |
| 12 | F | 74.6 | Confident | 78.6 | Confident | 92 Ų | 92 | 104.9 Ų | 104.9 | 40% | 0.404 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 175.6 | -95.4 | -70.1 | 0 | 0 | 0 | 112.2 | L8 L9 S14 L15 F16 | L8-F12 HydrophobicContact CD2-CD2 3.8Å; L8-F12 HydrophobicContact CD2-CE2 3.61Å; L8-F12 HydrophobicContact CG-CD2 4.16Å; L8-F12 HydrophobicContact CG-CE2 4.18Å; L8-F12 WeakPolarHBondContact O-CB 3.34Å; L8-F12 VanDerWaalsContact O-CD2 3.27Å; L8-F12 WeakPolarHBondContact O-CD2 3.2Å; L8-F12 PolarHBondContact O-N 3.41Å; L9-F12 PolarHBondContact O-N 2.91Å; F12-S14 VanDerWaalsContact C-N 3.31Å; F12-S14 PolarHBondContact O-N 3.16Å; F12-L15 HydrophobicContact CD1-CD1 4.43Å; F12-L15 WeakPolarHBondContact O-CB 3.12Å; F12-L15 PolarHBondContact O-N 3.13Å; F12-L15 VanDerWaalsContact O-N 3.16Å; F12-F16 HydrophobicContact CD1-CE2 4.31Å; F12-F16 WeakPolarHBondContact O-CD2 3.26Å; F12-F16 PolarHBondContact O-N 2.84Å |
| 13 | R | 68.4 | Low | 79.4 | Confident | 146 Ų | 146 | 97.9 Ų | 97.9 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56.3 | -48.4 | 173.7 | -80 | 174.8 | 177.1 | 179.5 | -1.4 | 109.8 | L9 W11 L15 F16 W17 | L9-R13 WeakPolarHBondContact O-CB 3.37Å; L9-R13 WeakPolarHBondContact O-CG 3.43Å; L9-R13 PolarHBondContact O-N 2.89Å; W11-R13 PolarHBondContact O-N 2.89Å; R13-L15 PolarHBondContact O-N 3.12Å; R13-L15 VanDerWaalsContact O-N 3.12Å; R13-F16 PolarHBondContact O-N 3.45Å; R13-W17 PolarHBondContact O-N 2.76Å |
| 14 | S | 68 | Low | 80.1 | Confident | 62 Ų | 62 | 94.8 Ų | 94.8 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.9 | -25.9 | -179.7 | 77.7 | 0 | 0 | 0 | 0 | 114 | D10 W11 F12 | D10-S14 WeakPolarHBondContact O-CB 3.49Å; D10-S14 PolarHBondContact O-N 3.48Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.16Å; W11-S14 VanDerWaalsContact O-N 3.13Å; W11-S14 PolarHBondContact O-OG 3.28Å; F12-S14 VanDerWaalsContact C-N 3.31Å; F12-S14 PolarHBondContact O-N 3.16Å |
| 15 | L | 65.4 | Low | 80.9 | Confident | 107 Ų | 107 | 89 Ų | 89 | 56% | 0.56 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -71.7 | -29.6 | 173.2 | -70.5 | 167.3 | 0 | 0 | 0 | 113.1 | W11 F12 R13 | W11-L15 HydrophobicContact CD2-CD1 4.23Å; W11-L15 HydrophobicContact CE3-CD1 4.2Å; W11-L15 HydrophobicContact CH2-CD1 3.75Å; W11-L15 HydrophobicContact CZ2-CD1 3.77Å; W11-L15 HydrophobicContact CZ3-CD1 3.97Å; W11-L15 PolarHBondContact O-N 3.41Å; W11-L15 VanDerWaalsContact O-N 3.16Å; F12-L15 HydrophobicContact CD1-CD1 4.43Å; F12-L15 WeakPolarHBondContact O-CB 3.12Å; F12-L15 PolarHBondContact O-N 3.13Å; F12-L15 VanDerWaalsContact O-N 3.16Å; R13-L15 PolarHBondContact O-N 3.12Å; R13-L15 VanDerWaalsContact O-N 3.12Å |
| 16 | F | 67.9 | Low | 81.3 | Confident | 168 Ų | 168 | 85 Ų | 85 | 74% | 0.737 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -98.7 | -24 | -178 | -65.9 | -70.3 | 0 | 0 | 0 | 113.9 | F12 R13 | F12-F16 HydrophobicContact CD1-CE2 4.31Å; F12-F16 WeakPolarHBondContact O-CD2 3.26Å; F12-F16 PolarHBondContact O-N 2.84Å; R13-F16 PolarHBondContact O-N 3.45Å |
| 17 | W | 69.6 | Low | 82.4 | Confident | 179 Ų | 179 | 82.5 Ų | 82.5 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 122.5 | 179.6 | -66.2 | 106.7 | 0 | 0 | 0 | 111.4 | R13 | R13-W17 PolarHBondContact O-N 2.76Š|
| 18 | K | 74.1 | Confident | 83.5 | Confident | 143 Ų | 143 | 73.9 Ų | 73.9 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 131.6 | 165.1 | -65.8 | -178.7 | -179.3 | 179.5 | 0 | 108.7 | N64 | K18-N64 CarbonylContact C-O 3.56Å; K18-N64 WeakPolarHBondContact CA-O 3.46Å; K18-N64 WeakPolarHBondContact CB-O 3.18Å |
| 19 | E | 85.3 | Confident | 84.2 | Confident | 49 Ų | 49 | 72.4 Ų | 72.4 | 23% | 0.229 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 143 | 172.1 | -66.2 | 178.6 | 168.8 | 0 | 0 | 108.7 | N64 V65 T66 S181 K182 | E19-N64 PolarHBondContact N-O 2.64Å; E19-V65 HydrophobicContact CB-CG2 4.24Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.4Å; E19-T66 PolarHBondContact O-N 3.16Å; E19-S181 PolarHBondContact OE2-OG 2.83Å; E19-S181 VanDerWaalsContact OE2-OG 3.11Å; E19-K182 VanDerWaalsContact OE1-CE 3.24Å; E19-K182 WeakPolarHBondContact OE1-CE 3.45Å; E19-K182 WeakPolarHBondContact OE1-CG 3.26Å; E19-K182 WeakPolarHBondContact OE2-CE 3.24Å; E19-K182 WeakPolarHBondContact OE2-CG 3.44Å |
| 20 | E | 89.4 | Confident | 85.1 | Confident | 131 Ų | 131 | 74.3 Ų | 74.3 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132 | 175 | -66.4 | -162.2 | 150.3 | 0 | 0 | 109.7 | T66 | E20-T66 WeakPolarHBondContact CA-O 3.35Å |
| 21 | M | 94 | Very high | 86.1 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 140 | 175.7 | -172.3 | -172.1 | -155.9 | 0 | 0 | 109.2 | L23 V65 T66 I67 K68 N90 A91 L177 H180 | M21-L23 HydrophobicContact CE-CD2 3.35Å; M21-L23 HydrophobicContact CE-CG 4.14Å; M21-L23 HydrophobicContact CG-CD2 4.22Å; M21-L23 HydrophobicContact CG-CG 4.15Å; M21-L23 HydrophobicContact SD-CD1 3.95Å; M21-L23 HydrophobicContact SD-CD2 3.71Å; M21-L23 HydrophobicContact SD-CG 3.79Å; M21-V65 HydrophobicContact CB-CG1 4.2Å; M21-T66 PolarHBondContact N-O 2.9Å; M21-I67 CarbonylContact O-C 3.59Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-I67 HydrophobicContact SD-CG2 4.43Å; M21-K68 PolarHBondContact O-N 2.91Å; M21-N90 WeakPolarHBondContact CA-OD1 3.49Å; M21-N90 HydrophobicContact CE-CB 3.67Å; M21-N90 HydrophobicContact CG-CB 3.67Å; M21-A91 HydrophobicContact CE-CB 4.27Å; M21-L177 HydrophobicContact CE-CB 4.36Å; M21-L177 HydrophobicContact CE-CD2 4.46Å; M21-L177 WeakPolarHBondContact CE-O 3.43Å; M21-L177 HydrophobicContact SD-CB 4.22Å; M21-H180 HydrophobicContact CE-CB 3.55Å |
| 22 | E | 96.7 | Very high | 87.2 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.3 | 169.8 | -167.3 | 159.3 | -163.7 | 0 | 0 | 109.9 | K68 W70 V89 N90 | E22-K68 CarbonylContact C-O 3.59Å; E22-K68 WeakPolarHBondContact CA-O 3.28Å; E22-K68 HydrophobicContact CG-CB 4.46Å; E22-K68 HydrophobicContact CG-CD 4.15Å; E22-K68 HydrophobicContact CG-CG 4.46Å; E22-K68 VanDerWaalsContact OE1-CE 3.28Å; E22-K68 WeakPolarHBondContact OE1-CE 3.4Å; E22-K68 IonicContact OE1-NZ 2.72Å; E22-K68 PolarHBondContact OE1-NZ 3.03Å; E22-K68 IonicContact OE2-NZ 3.73Å; E22-W70 PolarHBondContact OE1-NE1 2.83Å; E22-V89 HydrophobicContact CG-CG1 4.2Å; E22-V89 WeakPolarHBondContact O-CB 3.47Å; E22-N90 PolarHBondContact N-OD1 2.83Å; E22-N90 WeakPolarHBondContact O-CB 3.36Å; E22-N90 PolarHBondContact O-N 2.88Å; E22-N90 PolarHBondContact O-OD1 3.16Å |
| 23 | L | 97.5 | Very high | 88.3 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148.6 | -179 | -64.6 | 176 | 0 | 0 | 0 | 109.7 | M21 I67 K68 I69 W70 A91 L177 | M21-L23 HydrophobicContact CE-CD2 3.35Å; M21-L23 HydrophobicContact CE-CG 4.14Å; M21-L23 HydrophobicContact CG-CD2 4.22Å; M21-L23 HydrophobicContact CG-CG 4.15Å; M21-L23 HydrophobicContact SD-CD1 3.95Å; M21-L23 HydrophobicContact SD-CD2 3.71Å; M21-L23 HydrophobicContact SD-CG 3.79Å; L23-I67 HydrophobicContact CD1-CG2 3.38Å; L23-I67 HydrophobicContact CG-CG2 3.91Å; L23-K68 PolarHBondContact N-O 3.06Å; L23-I69 WeakPolarHBondContact O-CA 3.32Å; L23-W70 PolarHBondContact O-N 2.86Å; L23-A91 WeakPolarHBondContact CA-O 3.43Å; L23-A91 HydrophobicContact CD2-CB 3.68Å; L23-A91 WeakPolarHBondContact CD2-O 3.4Å; L23-L177 HydrophobicContact CD1-CD1 3.94Å; L23-L177 HydrophobicContact CD1-CD2 3.82Å; L23-L177 HydrophobicContact CD1-CG 4.32Å; L23-L177 HydrophobicContact CD2-CD2 3.86Å |
| 24 | T | 98.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.6 | 168.3 | -70.4 | 0 | 0 | 0 | 0 | 110 | V26 W70 I72 Y85 C86 V89 A91 V93 | T24-V26 HydrophobicContact CG2-CG1 3.82Å; T24-W70 HydrophobicContact CG2-CB 4.39Å; T24-I72 HydrophobicContact CG2-CG1 3.94Å; T24-Y85 PolarHBondContact OG1-O 3.3Å; T24-C86 VanDerWaalsContact CG2-SG 3.52Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.3Å; T24-A91 PolarHBondContact N-O 2.98Å; T24-V93 PolarHBondContact O-N 3.5Å |
| 25 | L | 98.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.2 | -178.3 | -174.8 | 63.1 | 0 | 0 | 0 | 109.1 | K33 F36 V37 I69 W70 I72 V93 M95 | L25-K33 HydrophobicContact CD1-CG 4.25Å; L25-K33 HydrophobicContact CD2-CB 3.59Å; L25-K33 HydrophobicContact CD2-CG 4.13Å; L25-K33 WeakPolarHBondContact CD2-O 3.45Å; L25-K33 HydrophobicContact CG-CB 3.75Å; L25-K33 HydrophobicContact CG-CD 4.05Å; L25-K33 HydrophobicContact CG-CG 3.74Å; L25-F36 HydrophobicContact CD1-CD1 4.49Å; L25-F36 HydrophobicContact CD2-CD1 4.07Å; L25-V37 HydrophobicContact CD2-CG2 3.62Å; L25-I69 HydrophobicContact CB-CG2 4.28Å; L25-W70 PolarHBondContact N-O 3.45Å; L25-I72 PolarHBondContact O-N 3.27Å; L25-V93 WeakPolarHBondContact CA-O 3.34Å; L25-V93 HydrophobicContact CD1-CB 3.58Å; L25-V93 HydrophobicContact CD1-CG1 3.37Å; L25-M95 HydrophobicContact CD1-CB 4.26Å; L25-M95 HydrophobicContact CD1-CE 4.23Å |
| 26 | V | 98.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 169.4 | -173.8 | -75.3 | 0 | 0 | 0 | 0 | 110.9 | T24 K33 I72 W82 I92 V93 Y94 M95 L114 | T24-V26 HydrophobicContact CG2-CG1 3.82Å; V26-K33 VanDerWaalsContact C-CD 3.46Å; V26-K33 WeakPolarHBondContact O-CD 3.33Å; V26-I72 HydrophobicContact CG1-CB 4.23Å; V26-I72 HydrophobicContact CG1-CG1 4.18Å; V26-W82 HydrophobicContact CB-CD2 3.97Å; V26-W82 HydrophobicContact CB-CE3 4.23Å; V26-W82 HydrophobicContact CB-CG 4.23Å; V26-W82 HydrophobicContact CG1-CB 3.94Å; V26-W82 HydrophobicContact CG1-CD2 3.88Å; V26-W82 HydrophobicContact CG1-CG 3.6Å; V26-I92 HydrophobicContact CG2-CG2 3.66Å; V26-V93 PolarHBondContact N-O 3.22Å; V26-Y94 HydrophobicContact CG2-CD2 3.83Å; V26-Y94 WeakPolarHBondContact O-CA 3.32Å; V26-M95 PolarHBondContact O-N 2.83Å; V26-L114 HydrophobicContact CG2-CD2 3.89Å |
| 27 | G | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | 131.4 | 168.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K33 G74 W82 | G27-K33 WeakPolarHBondContact O-CE 3.49Å; G27-K33 PolarHBondContact O-NZ 3.12Å; G27-G74 VanDerWaalsContact O-CA 3.23Å; G27-G74 WeakPolarHBondContact O-CA 3.18Å; G27-W82 WeakPolarHBondContact O-CZ2 3.22Å | ||
| 28 | L | 98.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -59.6 | 159.1 | -174.3 | -53.4 | -174.5 | 0 | 0 | 0 | 112.8 | S31 K33 K103 A106 E110 | L28-S31 WeakPolarHBondContact O-CB 3.46Å; L28-S31 PolarHBondContact O-N 2.72Å; L28-S31 PolarHBondContact O-OG 2.7Å; L28-K33 PolarHBondContact O-NZ 3.4Å; L28-K103 HydrophobicContact CD1-CB 3.9Å; L28-K103 HydrophobicContact CD1-CD 4.29Å; L28-A106 HydrophobicContact CD1-CB 4.23Å; L28-E110 HydrophobicContact CD2-CB 4.43Å; L28-E110 HydrophobicContact CD2-CG 3.99Å |
| 29 | Q | 96.9 | Very high | 96.2 | Very high | 61 Ų | 61 | 25 Ų | 25 | 29% | 0.285 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 149.6 | 171.8 | 59.3 | 173.8 | 5.6 | 0 | 0 | 110.9 | S31 G74 Q75 | Q29-S31 PolarHBondContact O-N 3.27Å; Q29-G74 PolarHBondContact N-O 2.87Å; Q29-Q75 HydrophobicContact CB-CG 4.38Å |
| 30 | Y | 96.1 | Very high | 96.6 | Very high | 126 Ų | 126 | 22.8 Ų | 22.8 | 49% | 0.494 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 4.6 | -177.4 | -51.4 | -70.6 | 0 | 0 | 0 | 117.1 | G32 P51 K131 | Y30-G32 PolarHBondContact O-N 3.31Å; Y30-P51 HydrophobicContact CD1-CG 4.35Å; Y30-P51 HydrophobicContact CE1-CG 3.47Å; Y30-P51 VanDerWaalsContact CE1-CG 3.47Å; Y30-P51 HydrophobicContact CE2-CG 4.23Å; Y30-P51 VanDerWaalsContact OH-CG 3.26Å; Y30-P51 WeakPolarHBondContact OH-CG 3.5Å; Y30-K131 VanDerWaalsContact O-CE 3.32Å; Y30-K131 WeakPolarHBondContact O-CE 3.42Å; Y30-K131 PolarHBondContact O-NZ 2.71Å |
| 31 | S | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -70.1 | -14.6 | 175.4 | 67.3 | 0 | 0 | 0 | 0 | 114.7 | L28 Q29 M95 N130 | L28-S31 WeakPolarHBondContact O-CB 3.46Å; L28-S31 PolarHBondContact O-N 2.72Å; L28-S31 PolarHBondContact O-OG 2.7Å; Q29-S31 PolarHBondContact O-N 3.27Å; S31-M95 WeakPolarHBondContact CB-O 3.44Å; S31-M95 VanDerWaalsContact O-CG 3.28Å; S31-M95 WeakPolarHBondContact O-CG 3.47Å; S31-M95 WeakPolarHBondContact OG-CG 3.5Å; S31-M95 PolarHBondContact OG-O 3.18Å; S31-N130 PolarHBondContact O-ND2 3.3Å |
| 32 | G | 97.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 10% | 0.103 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 100 | 21.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y30 T35 F36 | Y30-G32 PolarHBondContact O-N 3.31Å; G32-T35 WeakPolarHBondContact O-CB 3.35Å; G32-T35 PolarHBondContact O-N 2.8Å; G32-F36 WeakPolarHBondContact O-CB 3.23Å; G32-F36 PolarHBondContact O-N 2.83Å |
| 33 | K | 97.7 | Very high | 96.2 | Very high | 11 Ų | 11 | 21 Ų | 21 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.7 | -59 | 177.1 | -65.9 | -174.6 | -61.5 | -66.5 | 0 | 113.4 | L25 V26 G27 L28 T35 F36 V37 D71 I72 M95 | L25-K33 HydrophobicContact CD1-CG 4.25Å; L25-K33 HydrophobicContact CD2-CB 3.59Å; L25-K33 HydrophobicContact CD2-CG 4.13Å; L25-K33 WeakPolarHBondContact CD2-O 3.45Å; L25-K33 HydrophobicContact CG-CB 3.75Å; L25-K33 HydrophobicContact CG-CD 4.05Å; L25-K33 HydrophobicContact CG-CG 3.74Å; V26-K33 VanDerWaalsContact C-CD 3.46Å; V26-K33 WeakPolarHBondContact O-CD 3.33Å; G27-K33 WeakPolarHBondContact O-CE 3.49Å; G27-K33 PolarHBondContact O-NZ 3.12Å; L28-K33 PolarHBondContact O-NZ 3.4Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.46Å; K33-F36 WeakPolarHBondContact O-CB 3.4Å; K33-F36 PolarHBondContact O-N 3.25Å; K33-F36 VanDerWaalsContact O-N 3.11Å; K33-V37 PolarHBondContact O-N 3.36Å; K33-D71 WeakPolarHBondContact CB-OD1 3.36Å; K33-I72 WeakPolarHBondContact CE-O 3.31Å; K33-M95 HydrophobicContact CD-CB 4.43Å; K33-M95 HydrophobicContact CG-CB 3.6Å; K33-M95 HydrophobicContact CG-CG 4.03Å |
| 34 | T | 96.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 27.4 Ų | 27.4 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -35.2 | 179.5 | -46.9 | 0 | 0 | 0 | 0 | 111.9 | V37 N38 M49 T52 D71 | T34-V37 PolarHBondContact O-N 3.25Å; T34-N38 PolarHBondContact O-N 3.3Å; T34-M49 HydrophobicContact CG2-CE 3.93Å; T34-M49 HydrophobicContact CG2-SD 3.72Å; T34-T52 PolarHBondContact OG1-OG1 3.46Å; T34-D71 WeakPolarHBondContact CA-OD2 3.43Å; T34-D71 VanDerWaalsContact CB-OD2 3.31Å; T34-D71 WeakPolarHBondContact CB-OD2 3.5Å; T34-D71 PolarHBondContact OG1-OD2 3.48Å |
| 35 | T | 97.2 | Very high | 95.4 | Very high | 14 Ų | 14 | 31 Ų | 31 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 172.8 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | G32 K33 V37 N38 V39 F45 C164 | G32-T35 WeakPolarHBondContact O-CB 3.35Å; G32-T35 PolarHBondContact O-N 2.8Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.46Å; T35-V37 VanDerWaalsContact C-N 3.32Å; T35-V37 PolarHBondContact O-N 2.81Å; T35-N38 WeakPolarHBondContact O-CB 3.3Å; T35-N38 PolarHBondContact O-N 2.9Å; T35-N38 VanDerWaalsContact O-N 3.14Å; T35-V39 HydrophobicContact CG2-CG2 4.41Å; T35-V39 VanDerWaalsContact O-CG2 3.3Å; T35-V39 WeakPolarHBondContact O-CG2 3.35Å; T35-V39 PolarHBondContact O-N 2.63Å; T35-F45 HydrophobicContact CG2-CD2 3.47Å; T35-F45 VanDerWaalsContact CG2-CD2 3.47Å; T35-F45 HydrophobicContact CG2-CE2 3.66Å; T35-C164 HydrophobicContact CG2-CB 3.77Å |
| 36 | F | 97.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.7 | -45.2 | 175.3 | 178.4 | -103.9 | 0 | 0 | 0 | 111.3 | L25 G32 K33 N38 V39 I40 M95 L128 I162 I170 T173 | L25-F36 HydrophobicContact CD1-CD1 4.49Å; L25-F36 HydrophobicContact CD2-CD1 4.07Å; G32-F36 WeakPolarHBondContact O-CB 3.23Å; G32-F36 PolarHBondContact O-N 2.83Å; K33-F36 WeakPolarHBondContact O-CB 3.4Å; K33-F36 PolarHBondContact O-N 3.25Å; K33-F36 VanDerWaalsContact O-N 3.11Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-N38 PolarHBondContact O-N 3.21Å; F36-V39 PolarHBondContact O-N 3.11Å; F36-I40 HydrophobicContact CD1-CD1 4.24Å; F36-I40 HydrophobicContact CD2-CG2 4.29Å; F36-I40 HydrophobicContact CE1-CD1 3.93Å; F36-I40 HydrophobicContact CE1-CG2 4.17Å; F36-I40 HydrophobicContact CE2-CG2 3.87Å; F36-I40 HydrophobicContact CZ-CG2 3.8Å; F36-I40 WeakPolarHBondContact O-CG1 3.44Å; F36-I40 WeakPolarHBondContact O-CG2 3.44Å; F36-I40 PolarHBondContact O-N 2.96Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 4.26Å; F36-M95 HydrophobicContact CD2-CE 4.14Å; F36-M95 HydrophobicContact CG-CE 3.74Å; F36-L128 HydrophobicContact CD2-CD1 4.43Å; F36-L128 HydrophobicContact CE1-CD1 4.41Å; F36-L128 HydrophobicContact CE2-CD1 4.04Å; F36-L128 HydrophobicContact CZ-CD1 4.03Å; F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.27Å; F36-I170 HydrophobicContact CD2-CD1 4.12Å; F36-I170 HydrophobicContact CE2-CD1 4.07Å; F36-T173 HydrophobicContact CE2-CG2 3.85Å; F36-T173 HydrophobicContact CZ-CG2 3.65Å |
| 37 | V | 96.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 112 | L25 K33 T34 T35 I40 A41 R58 I69 D71 | L25-V37 HydrophobicContact CD2-CG2 3.62Å; K33-V37 PolarHBondContact O-N 3.36Å; T34-V37 PolarHBondContact O-N 3.25Å; T35-V37 VanDerWaalsContact C-N 3.32Å; T35-V37 PolarHBondContact O-N 2.81Å; V37-I40 VanDerWaalsContact O-CG1 3.29Å; V37-I40 WeakPolarHBondContact O-CG1 3.31Å; V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.05Å; V37-R58 HydrophobicContact CG1-CB 4.1Å; V37-R58 HydrophobicContact CG1-CG 4.25Å; V37-I69 HydrophobicContact CG2-CG2 3.99Å; V37-D71 HydrophobicContact CG2-CB 4.32Å |
| 38 | N | 95.1 | Very high | 93 | Very high | 28 Ų | 28 | 47.9 Ų | 47.9 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.8 | -70.7 | -14 | 0 | 0 | 0 | 111.8 | T34 T35 F36 I40 A41 S42 G43 M49 R58 | T34-N38 PolarHBondContact O-N 3.3Å; T35-N38 WeakPolarHBondContact O-CB 3.3Å; T35-N38 PolarHBondContact O-N 2.9Å; T35-N38 VanDerWaalsContact O-N 3.14Å; F36-N38 VanDerWaalsContact C-N 3.34Å; F36-N38 PolarHBondContact O-N 3.21Å; N38-I40 PolarHBondContact O-N 3.34Å; N38-A41 PolarHBondContact O-N 3.35Å; N38-S42 PolarHBondContact O-N 3.26Å; N38-S42 PolarHBondContact O-OG 3.15Å; N38-G43 PolarHBondContact O-N 3.03Å; N38-M49 WeakPolarHBondContact ND2-CE 3.32Å; N38-R58 PolarHBondContact OD1-NH1 2.9Å |
| 39 | V | 95.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | -178.8 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | T35 F36 A41 G43 C164 K167 I170 | T35-V39 HydrophobicContact CG2-CG2 4.41Å; T35-V39 VanDerWaalsContact O-CG2 3.3Å; T35-V39 WeakPolarHBondContact O-CG2 3.35Å; T35-V39 PolarHBondContact O-N 2.63Å; F36-V39 PolarHBondContact O-N 3.11Å; V39-A41 VanDerWaalsContact C-N 3.34Å; V39-G43 WeakPolarHBondContact O-CA 3.44Å; V39-G43 PolarHBondContact O-N 3.25Å; V39-C164 HydrophobicContact CG2-CB 4.16Å; V39-C164 WeakPolarHBondContact CG2-O 3.46Å; V39-K167 HydrophobicContact CG1-CG 4.3Å; V39-I170 HydrophobicContact CG1-CD1 4.46Å; V39-I170 HydrophobicContact CG1-CG1 4.28Å; V39-I170 HydrophobicContact CG1-CG2 4.32Å |
| 40 | I | 94.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.9 | -31.8 | 175.8 | 68.5 | -176.6 | 0 | 0 | 0 | 111.6 | F36 V37 N38 V60 K62 I69 I170 L174 | F36-I40 HydrophobicContact CD1-CD1 4.24Å; F36-I40 HydrophobicContact CD2-CG2 4.29Å; F36-I40 HydrophobicContact CE1-CD1 3.93Å; F36-I40 HydrophobicContact CE1-CG2 4.17Å; F36-I40 HydrophobicContact CE2-CG2 3.87Å; F36-I40 HydrophobicContact CZ-CG2 3.8Å; F36-I40 WeakPolarHBondContact O-CG1 3.44Å; F36-I40 WeakPolarHBondContact O-CG2 3.44Å; F36-I40 PolarHBondContact O-N 2.96Å; V37-I40 VanDerWaalsContact O-CG1 3.29Å; V37-I40 WeakPolarHBondContact O-CG1 3.31Å; N38-I40 PolarHBondContact O-N 3.34Å; I40-V60 HydrophobicContact CG1-CG1 4.4Å; I40-V60 HydrophobicContact CG1-CG2 4.29Å; I40-V60 WeakPolarHBondContact O-CG1 3.23Å; I40-K62 WeakPolarHBondContact O-CE 3.34Å; I40-K62 PolarHBondContact O-NZ 3.06Å; I40-I69 HydrophobicContact CD1-CD1 3.27Å; I40-I69 HydrophobicContact CG1-CD1 4.44Å; I40-I170 HydrophobicContact CG2-CG2 4.14Å; I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.38Å; I40-L174 HydrophobicContact CG2-CD2 3.98Å; I40-L174 HydrophobicContact CG2-CG 4.34Å |
| 41 | A | 92.3 | Very high | 91.3 | Very high | 45 Ų | 45 | 49.4 Ų | 49.4 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73.8 | -52.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V37 N38 V39 V60 | V37-A41 WeakPolarHBondContact O-CB 3.45Å; V37-A41 PolarHBondContact O-N 3.05Å; N38-A41 PolarHBondContact O-N 3.35Å; V39-A41 VanDerWaalsContact C-N 3.34Å; A41-V60 HydrophobicContact CB-CG2 3.77Å |
| 42 | S | 90.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -124.9 | -3.3 | -171 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | N38 Q44 | N38-S42 PolarHBondContact O-N 3.26Å; N38-S42 PolarHBondContact O-OG 3.15Å; S42-Q44 PolarHBondContact O-N 3.16Å; S42-Q44 WeakPolarHBondContact OG-CB 3.29Å; S42-Q44 PolarHBondContact OG-N 3.46Å; S42-Q44 PolarHBondContact OG-OE1 3.23Å |
| 43 | G | 89.5 | Confident | 90.3 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 69.6 | 7.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N38 V39 K167 | N38-G43 PolarHBondContact O-N 3.03Å; V39-G43 WeakPolarHBondContact O-CA 3.44Å; V39-G43 PolarHBondContact O-N 3.25Å; G43-K167 WeakPolarHBondContact O-CE 3.48Å; G43-K167 PolarHBondContact O-NZ 2.72Å |
| 44 | Q | 89.6 | Confident | 90 | Very high | 137 Ų | 137 | 55.5 Ų | 55.5 | 64% | 0.64 | 32% | 0.315 | S | S | * | . | trans | -93.1 | 135.5 | -178.4 | -65.7 | 174.3 | -25.4 | 0 | 0 | 110.7 | S42 | S42-Q44 PolarHBondContact O-N 3.16Å; S42-Q44 WeakPolarHBondContact OG-CB 3.29Å; S42-Q44 PolarHBondContact OG-N 3.46Å; S42-Q44 PolarHBondContact OG-OE1 3.23Å | ||
| 45 | F | 89 | Confident | 89.9 | Confident | 77 Ų | 77 | 59.1 Ų | 59.1 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | trans | -107.9 | 143.6 | 169.9 | 173.5 | -99.8 | 0 | 0 | 0 | 108.8 | T35 E47 K165 | T35-F45 HydrophobicContact CG2-CD2 3.47Å; T35-F45 VanDerWaalsContact CG2-CD2 3.47Å; T35-F45 HydrophobicContact CG2-CE2 3.66Å; F45-E47 HydrophobicContact CD1-CG 4.33Å; F45-E47 HydrophobicContact CE1-CB 4.41Å; F45-E47 HydrophobicContact CE1-CG 3.43Å; F45-E47 VanDerWaalsContact CE1-CG 3.43Å; F45-E47 HydrophobicContact CZ-CG 4.08Å; F45-K165 HydrophobicContact CD1-CG 4.17Å; F45-K165 HydrophobicContact CD2-CB 4.19Å; F45-K165 HydrophobicContact CE1-CB 4.25Å; F45-K165 HydrophobicContact CE1-CD 4.28Å; F45-K165 HydrophobicContact CE1-CG 3.78Å; F45-K165 HydrophobicContact CE2-CB 3.85Å; F45-K165 HydrophobicContact CE2-CG 4.3Å; F45-K165 HydrophobicContact CZ-CB 3.89Å; F45-K165 HydrophobicContact CZ-CD 4.27Å; F45-K165 HydrophobicContact CZ-CG 3.87Å | ||
| 46 | S | 86.6 | Confident | 89.7 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 43% | 0.427 | 34% | 0.341 | S | S | . | . | trans | -134.7 | 128.9 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 47 | E | 77.7 | Confident | 89.6 | Confident | 147 Ų | 147 | 64.7 Ų | 64.7 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -69 | -44.4 | -176.2 | -73.5 | -177.9 | 170.5 | 0 | 0 | 111.6 | F45 M49 | F45-E47 HydrophobicContact CD1-CG 4.33Å; F45-E47 HydrophobicContact CE1-CB 4.41Å; F45-E47 HydrophobicContact CE1-CG 3.43Å; F45-E47 VanDerWaalsContact CE1-CG 3.43Å; F45-E47 HydrophobicContact CZ-CG 4.08Å; E47-M49 PolarHBondContact O-N 3.45Å; E47-M49 VanDerWaalsContact O-N 3.1Å |
| 48 | D | 80.2 | Confident | 89.6 | Confident | 148 Ų | 148 | 69 Ų | 69 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | trans | -90.7 | 66.8 | -171.8 | -63.5 | -45.1 | 0 | 0 | 0 | 113.4 | ||||
| 49 | M | 85.6 | Confident | 89.6 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 28% | 0.281 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 123 | 176.7 | -167.9 | 67.3 | 71.5 | 0 | 0 | 112.7 | T34 N38 E47 | T34-M49 HydrophobicContact CG2-CE 3.93Å; T34-M49 HydrophobicContact CG2-SD 3.72Å; N38-M49 WeakPolarHBondContact ND2-CE 3.32Å; E47-M49 PolarHBondContact O-N 3.45Å; E47-M49 VanDerWaalsContact O-N 3.1Å |
| 50 | I | 85.7 | Confident | 89.4 | Confident | 140 Ų | 140 | 73.5 Ų | 73.5 | 72% | 0.718 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -81.9 | 140.4 | 174.1 | -59.4 | 172.5 | 0 | 0 | 0 | 110 | T52 | I50-T52 PolarHBondContact O-N 3.22Š|
| 51 | P | 85.6 | Confident | 89.2 | Confident | 33 Ų | 33 | 77 Ų | 77 | 21% | 0.214 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 130.1 | 175.8 | -28.6 | 36.5 | 0 | 0 | 0 | 113.9 | Y30 V53 Q75 | Y30-P51 HydrophobicContact CD1-CG 4.35Å; Y30-P51 HydrophobicContact CE1-CG 3.47Å; Y30-P51 VanDerWaalsContact CE1-CG 3.47Å; Y30-P51 HydrophobicContact CE2-CG 4.23Å; Y30-P51 VanDerWaalsContact OH-CG 3.26Å; Y30-P51 WeakPolarHBondContact OH-CG 3.5Å; P51-V53 PolarHBondContact O-N 2.93Å; P51-Q75 VanDerWaalsContact CB-NE2 3.33Å |
| 52 | T | 87.1 | Confident | 88.9 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 18% | 0.184 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 129.9 | 177.3 | -51.5 | 0 | 0 | 0 | 0 | 112.1 | T34 I50 | T34-T52 PolarHBondContact OG1-OG1 3.46Å; I50-T52 PolarHBondContact O-N 3.22Å |
| 53 | V | 86.6 | Confident | 88.6 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 64% | 0.642 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 118.1 | 172.8 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | P51 F55 F78 | P51-V53 PolarHBondContact O-N 2.93Å; V53-F55 PolarHBondContact O-N 3.09Å; V53-F78 HydrophobicContact CB-CZ 4.34Å; V53-F78 HydrophobicContact CG1-CZ 3.85Å |
| 54 | G | 92.4 | Very high | 88.3 | Confident | 14 Ų | 14 | 81 Ų | 81 | 14% | 0.144 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 75.2 | -112.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | G73 F78 | G54-G73 PolarHBondContact O-N 3.12Å; G54-F78 VanDerWaalsContact N-CZ 3.26Å |
| 55 | F | 93.3 | Very high | 88.3 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156.7 | -178.8 | 64.3 | -87.1 | 0 | 0 | 0 | 110.9 | V53 W70 D71 I72 Y85 | V53-F55 PolarHBondContact O-N 3.09Å; F55-W70 AromaticContact CD2-CE3 3.92Å; F55-W70 HydrophobicContact CD2-CE3 3.92Å; F55-W70 AromaticContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CE2-CE3 4.44Å; F55-W70 AromaticContact CE2-CZ3 3.78Å; F55-W70 HydrophobicContact CE2-CZ3 3.78Å; F55-D71 CarbonylContact C-O 3.5Å; F55-D71 VanDerWaalsContact CA-O 3.32Å; F55-D71 WeakPolarHBondContact CA-O 3.41Å; F55-I72 HydrophobicContact CB-CD1 3.48Å; F55-I72 VanDerWaalsContact CB-CD1 3.48Å; F55-Y85 HydrophobicContact CD1-CE2 4.16Å; F55-Y85 AromaticContact CD1-CZ 3.74Å; F55-Y85 VanDerWaalsContact CD1-OH 3.23Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.49Å; F55-Y85 AromaticContact CD2-CE1 3.99Å; F55-Y85 HydrophobicContact CD2-CE1 3.99Å; F55-Y85 AromaticContact CE1-CZ 3.93Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 HydrophobicContact CE2-CE1 4.24Å; F55-Y85 HydrophobicContact CG-CE1 4.15Å; F55-Y85 HydrophobicContact CG-CE2 4.36Å; F55-Y85 AromaticContact CG-CZ 3.81Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.35Å |
| 56 | N | 94.4 | Very high | 88.5 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 33% | 0.326 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139 | 172.6 | -178.9 | 54.7 | 0 | 0 | 0 | 110.5 | R58 D71 | N56-R58 VanDerWaalsContact ND2-CG 3.32Å; N56-R58 WeakPolarHBondContact ND2-CG 2.97Å; N56-R58 PolarHBondContact ND2-NE 3.07Å; N56-D71 PolarHBondContact N-O 3.3Å; N56-D71 PolarHBondContact O-N 2.89Å |
| 57 | M | 95.4 | Very high | 88.9 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.5 | 174.9 | -170.5 | -142.9 | 62.8 | 0 | 0 | 109.7 | K59 K68 I69 W70 | M57-K59 HydrophobicContact CE-CG 4.48Å; M57-K68 HydrophobicContact CG-CG 4.05Å; M57-K68 HydrophobicContact SD-CD 4.31Å; M57-K68 HydrophobicContact SD-CG 4.09Å; M57-I69 WeakPolarHBondContact CA-O 3.14Å; M57-W70 HydrophobicContact CB-CD2 4.35Å; M57-W70 HydrophobicContact CB-CE3 3.75Å; M57-W70 HydrophobicContact CB-CH2 4.05Å; M57-W70 HydrophobicContact CB-CZ3 3.59Å; M57-W70 HydrophobicContact CG-CD2 4.22Å; M57-W70 HydrophobicContact CG-CE3 4.11Å; M57-W70 HydrophobicContact CG-CH2 4.08Å; M57-W70 HydrophobicContact CG-CZ2 4.19Å; M57-W70 HydrophobicContact CG-CZ3 4.04Å |
| 58 | R | 95 | Very high | 89.8 | Confident | 92 Ų | 92 | 64.5 Ų | 64.5 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 147.8 | 169.4 | -65 | -160.8 | -176.7 | 171.2 | 3.1 | 111.7 | V37 N38 N56 I69 | V37-R58 HydrophobicContact CG1-CB 4.1Å; V37-R58 HydrophobicContact CG1-CG 4.25Å; N38-R58 PolarHBondContact OD1-NH1 2.9Å; N56-R58 VanDerWaalsContact ND2-CG 3.32Å; N56-R58 WeakPolarHBondContact ND2-CG 2.97Å; N56-R58 PolarHBondContact ND2-NE 3.07Å; R58-I69 PolarHBondContact N-O 3.28Å; R58-I69 PolarHBondContact O-N 2.64Å |
| 59 | K | 94.7 | Very high | 90.6 | Very high | 124 Ų | 124 | 57.7 Ų | 57.7 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.8 | 169.1 | -69.1 | -171.1 | 176.8 | -167.7 | 0 | 108.9 | M57 T66 I67 K68 | M57-K59 HydrophobicContact CE-CG 4.48Å; K59-T66 HydrophobicContact CB-CG2 4.31Å; K59-T66 HydrophobicContact CD-CG2 4.3Å; K59-I67 CarbonylContact C-O 3.46Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.42Å; K59-K68 HydrophobicContact CG-CB 4.46Å |
| 60 | V | 93 | Very high | 91.2 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.036 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.3 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | I40 A41 K62 I67 I69 | I40-V60 HydrophobicContact CG1-CG1 4.4Å; I40-V60 HydrophobicContact CG1-CG2 4.29Å; I40-V60 WeakPolarHBondContact O-CG1 3.23Å; A41-V60 HydrophobicContact CB-CG2 3.77Å; V60-K62 HydrophobicContact CG1-CG 4.26Å; V60-I67 PolarHBondContact N-O 3.25Å; V60-I67 PolarHBondContact O-N 2.78Å; V60-I69 HydrophobicContact CG2-CD1 4.25Å |
| 61 | T | 90.3 | Very high | 91.8 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | V65 T66 | T61-V65 CarbonylContact C-O 3.52Å; T61-V65 WeakPolarHBondContact CA-O 3.38Å; T61-T66 PolarHBondContact OG1-OG1 3.3Å |
| 62 | K | 85.1 | Confident | 92.3 | Very high | 67 Ų | 67 | 49 Ų | 49 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 112.8 | 173.4 | -68.2 | -62.9 | -175.6 | -172.8 | 0 | 108.6 | I40 V60 N64 V65 L174 I178 | I40-K62 WeakPolarHBondContact O-CE 3.34Å; I40-K62 PolarHBondContact O-NZ 3.06Å; V60-K62 HydrophobicContact CG1-CG 4.26Å; K62-N64 PolarHBondContact O-N 2.76Å; K62-V65 PolarHBondContact N-O 2.78Å; K62-V65 PolarHBondContact O-N 2.85Å; K62-L174 HydrophobicContact CD-CD1 4.42Å; K62-L174 HydrophobicContact CG-CD1 4.45Å; K62-L174 HydrophobicContact CG-CD2 4.49Å; K62-I178 HydrophobicContact CB-CD1 4.3Å |
| 63 | G | 83.7 | Confident | 92.8 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 78% | 0.784 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | -125.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 64 | N | 84.1 | Confident | 93.2 | Very high | 79 Ų | 79 | 42.8 Ų | 42.8 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 3.1 | 176.9 | 68.4 | -32.6 | 0 | 0 | 0 | 113.8 | K18 E19 K62 | K18-N64 CarbonylContact C-O 3.56Å; K18-N64 WeakPolarHBondContact CA-O 3.46Å; K18-N64 WeakPolarHBondContact CB-O 3.18Å; E19-N64 PolarHBondContact N-O 2.64Å; K62-N64 PolarHBondContact O-N 2.76Å |
| 65 | V | 88.4 | Confident | 93.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.7 | -178.7 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | E19 M21 T61 K62 I67 I178 | E19-V65 HydrophobicContact CB-CG2 4.24Å; E19-V65 CarbonylContact O-C 3.6Å; E19-V65 WeakPolarHBondContact O-CA 3.4Å; M21-V65 HydrophobicContact CB-CG1 4.2Å; T61-V65 CarbonylContact C-O 3.52Å; T61-V65 WeakPolarHBondContact CA-O 3.38Å; K62-V65 PolarHBondContact N-O 2.78Å; K62-V65 PolarHBondContact O-N 2.85Å; V65-I67 HydrophobicContact CG1-CG1 4.01Å; V65-I178 HydrophobicContact CB-CG1 4.49Å; V65-I178 HydrophobicContact CG2-CG1 4.27Å; V65-I178 HydrophobicContact CG2-CG2 3.96Å |
| 66 | T | 92.9 | Very high | 93.6 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 115.6 | 167.2 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | E19 E20 M21 K59 T61 | E19-T66 PolarHBondContact O-N 3.16Å; E20-T66 WeakPolarHBondContact CA-O 3.35Å; M21-T66 PolarHBondContact N-O 2.9Å; K59-T66 HydrophobicContact CB-CG2 4.31Å; K59-T66 HydrophobicContact CD-CG2 4.3Å; T61-T66 PolarHBondContact OG1-OG1 3.3Å |
| 67 | I | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 112.6 | -176.7 | -48.5 | 175.8 | 0 | 0 | 0 | 108.4 | M21 L23 K59 V60 V65 I69 L174 | M21-I67 CarbonylContact O-C 3.59Å; M21-I67 WeakPolarHBondContact O-CA 3.32Å; M21-I67 HydrophobicContact SD-CG2 4.43Å; L23-I67 HydrophobicContact CD1-CG2 3.38Å; L23-I67 HydrophobicContact CG-CG2 3.91Å; K59-I67 CarbonylContact C-O 3.46Å; K59-I67 VanDerWaalsContact CA-O 3.32Å; K59-I67 WeakPolarHBondContact CA-O 3.42Å; V60-I67 PolarHBondContact N-O 3.25Å; V60-I67 PolarHBondContact O-N 2.78Å; V65-I67 HydrophobicContact CG1-CG1 4.01Å; I67-I69 HydrophobicContact CB-CG1 4.4Å; I67-I69 HydrophobicContact CG2-CD1 3.98Å; I67-I69 HydrophobicContact CG2-CG1 3.61Å; I67-L174 HydrophobicContact CD1-CD2 4.42Å |
| 68 | K | 96.2 | Very high | 93.7 | Very high | 55 Ų | 55 | 45.5 Ų | 45.5 | 24% | 0.239 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118.5 | 169.5 | -177.4 | -174.5 | 174.1 | -158.5 | 0 | 108.7 | M21 E22 L23 M57 K59 | M21-K68 PolarHBondContact O-N 2.91Å; E22-K68 CarbonylContact C-O 3.59Å; E22-K68 WeakPolarHBondContact CA-O 3.28Å; E22-K68 HydrophobicContact CG-CB 4.46Å; E22-K68 HydrophobicContact CG-CD 4.15Å; E22-K68 HydrophobicContact CG-CG 4.46Å; E22-K68 VanDerWaalsContact OE1-CE 3.28Å; E22-K68 WeakPolarHBondContact OE1-CE 3.4Å; E22-K68 IonicContact OE1-NZ 2.72Å; E22-K68 PolarHBondContact OE1-NZ 3.03Å; E22-K68 IonicContact OE2-NZ 3.73Å; L23-K68 PolarHBondContact N-O 3.06Å; M57-K68 HydrophobicContact CG-CG 4.05Å; M57-K68 HydrophobicContact SD-CD 4.31Å; M57-K68 HydrophobicContact SD-CG 4.09Å; K59-K68 HydrophobicContact CG-CB 4.46Å |
| 69 | I | 98.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.5 | -173.1 | -53.1 | 175.1 | 0 | 0 | 0 | 109 | L23 L25 V37 I40 M57 R58 V60 I67 | L23-I69 WeakPolarHBondContact O-CA 3.32Å; L25-I69 HydrophobicContact CB-CG2 4.28Å; V37-I69 HydrophobicContact CG2-CG2 3.99Å; I40-I69 HydrophobicContact CD1-CD1 3.27Å; I40-I69 HydrophobicContact CG1-CD1 4.44Å; M57-I69 WeakPolarHBondContact CA-O 3.14Å; R58-I69 PolarHBondContact N-O 3.28Å; R58-I69 PolarHBondContact O-N 2.64Å; V60-I69 HydrophobicContact CG2-CD1 4.25Å; I67-I69 HydrophobicContact CB-CG1 4.4Å; I67-I69 HydrophobicContact CG2-CD1 3.98Å; I67-I69 HydrophobicContact CG2-CG1 3.61Å |
| 70 | W | 98.1 | Very high | 93.8 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 17% | 0.167 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 106.8 | 166.4 | -63.4 | 103 | 0 | 0 | 0 | 109.7 | E22 L23 T24 L25 F55 M57 I72 Y85 | E22-W70 PolarHBondContact OE1-NE1 2.83Å; L23-W70 PolarHBondContact O-N 2.86Å; T24-W70 HydrophobicContact CG2-CB 4.39Å; L25-W70 PolarHBondContact N-O 3.45Å; F55-W70 AromaticContact CD2-CE3 3.92Å; F55-W70 HydrophobicContact CD2-CE3 3.92Å; F55-W70 AromaticContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CD2-CZ3 3.72Å; F55-W70 HydrophobicContact CE2-CE3 4.44Å; F55-W70 AromaticContact CE2-CZ3 3.78Å; F55-W70 HydrophobicContact CE2-CZ3 3.78Å; M57-W70 HydrophobicContact CB-CD2 4.35Å; M57-W70 HydrophobicContact CB-CE3 3.75Å; M57-W70 HydrophobicContact CB-CH2 4.05Å; M57-W70 HydrophobicContact CB-CZ3 3.59Å; M57-W70 HydrophobicContact CG-CD2 4.22Å; M57-W70 HydrophobicContact CG-CE3 4.11Å; M57-W70 HydrophobicContact CG-CH2 4.08Å; M57-W70 HydrophobicContact CG-CZ2 4.19Å; M57-W70 HydrophobicContact CG-CZ3 4.04Å; W70-I72 HydrophobicContact CB-CD1 3.94Å; W70-Y85 HydrophobicContact CB-CD1 4.37Å; W70-Y85 AromaticContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CE1 4.13Å; W70-Y85 AromaticContact CE3-CD1 3.77Å; W70-Y85 HydrophobicContact CE3-CD1 3.77Å; W70-Y85 AromaticContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CG-CD1 4.04Å; W70-Y85 HydrophobicContact CH2-CE1 4.33Å; W70-Y85 HydrophobicContact CZ3-CD1 4.3Å; W70-Y85 AromaticContact CZ3-CE1 3.81Å; W70-Y85 HydrophobicContact CZ3-CE1 3.81Å |
| 71 | D | 97.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 110.2 | 172.9 | 179.2 | 21.8 | 0 | 0 | 0 | 109.2 | K33 T34 V37 F55 N56 | K33-D71 WeakPolarHBondContact CB-OD1 3.36Å; T34-D71 WeakPolarHBondContact CA-OD2 3.43Å; T34-D71 VanDerWaalsContact CB-OD2 3.31Å; T34-D71 WeakPolarHBondContact CB-OD2 3.5Å; T34-D71 PolarHBondContact OG1-OD2 3.48Å; V37-D71 HydrophobicContact CG2-CB 4.32Å; F55-D71 CarbonylContact C-O 3.5Å; F55-D71 VanDerWaalsContact CA-O 3.32Å; F55-D71 WeakPolarHBondContact CA-O 3.41Å; N56-D71 PolarHBondContact N-O 3.3Å; N56-D71 PolarHBondContact O-N 2.89Å |
| 72 | I | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.3 | -173.9 | -43.9 | -60.2 | 0 | 0 | 0 | 111 | T24 L25 V26 K33 F55 W70 G74 Y85 | T24-I72 HydrophobicContact CG2-CG1 3.94Å; L25-I72 PolarHBondContact O-N 3.27Å; V26-I72 HydrophobicContact CG1-CB 4.23Å; V26-I72 HydrophobicContact CG1-CG1 4.18Å; K33-I72 WeakPolarHBondContact CE-O 3.31Å; F55-I72 HydrophobicContact CB-CD1 3.48Å; F55-I72 VanDerWaalsContact CB-CD1 3.48Å; W70-I72 HydrophobicContact CB-CD1 3.94Å; I72-G74 PolarHBondContact O-N 2.88Å; I72-Y85 HydrophobicContact CD1-CD1 4.03Å; I72-Y85 HydrophobicContact CD1-CD2 3.9Å; I72-Y85 HydrophobicContact CD1-CG 3.64Å |
| 73 | G | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | trans | -56.1 | 136.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G54 W82 | G54-G73 PolarHBondContact O-N 3.12Å; G73-W82 PolarHBondContact O-NE1 2.85Å; G73-W82 VanDerWaalsContact O-NE1 3.1Å | ||
| 74 | G | 96.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | trans | -96 | -0.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G27 Q29 I72 R79 | G27-G74 VanDerWaalsContact O-CA 3.23Å; G27-G74 WeakPolarHBondContact O-CA 3.18Å; Q29-G74 PolarHBondContact N-O 2.87Å; I72-G74 PolarHBondContact O-N 2.88Å; G74-R79 PolarHBondContact O-NE 2.95Å; G74-R79 PolarHBondContact O-NH2 3.28Å; G74-R79 VanDerWaalsContact O-NH2 3.08Å | ||
| 75 | Q | 96.2 | Very high | 96.2 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -67.3 | 146.1 | 173.7 | -73.6 | 166.4 | 51.2 | 0 | 0 | 110 | Q29 P51 R77 F78 R79 | Q29-Q75 HydrophobicContact CB-CG 4.38Å; P51-Q75 VanDerWaalsContact CB-NE2 3.33Å; Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.02Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.3Å; Q75-F78 HydrophobicContact CB-CD2 3.87Å; Q75-F78 HydrophobicContact CB-CE2 4.23Å; Q75-F78 PolarHBondContact O-N 3.38Å; Q75-R79 WeakPolarHBondContact O-CG 3.43Å |
| 76 | P | 96.4 | Very high | 96.6 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 58% | 0.578 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -47.3 | -43.7 | -178.7 | -30.8 | 36 | 0 | 0 | 0 | 114.3 | F78 R79 | P76-F78 PolarHBondContact O-N 2.91Å; P76-R79 PolarHBondContact O-N 3.35Å |
| 77 | R | 95.9 | Very high | 96.8 | Very high | 160 Ų | 160 | 46.8 Ų | 46.8 | 60% | 0.604 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -59.8 | -16.7 | 179 | 64.6 | 175.7 | 170.4 | 171.9 | 0.1 | 115.6 | Q75 | Q75-R77 HydrophobicContact CB-CG 4.2Å; Q75-R77 PolarHBondContact O-N 3.02Å; Q75-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact OE1-CZ 3.3Å |
| 78 | F | 96.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -107.7 | -9.8 | -178.8 | -58.4 | -49.1 | 0 | 0 | 0 | 113.7 | V53 G54 Q75 P76 S80 M81 | V53-F78 HydrophobicContact CB-CZ 4.34Å; V53-F78 HydrophobicContact CG1-CZ 3.85Å; G54-F78 VanDerWaalsContact N-CZ 3.26Å; Q75-F78 HydrophobicContact CB-CD2 3.87Å; Q75-F78 HydrophobicContact CB-CE2 4.23Å; Q75-F78 PolarHBondContact O-N 3.38Å; P76-F78 PolarHBondContact O-N 2.91Å; F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.08Å; F78-M81 HydrophobicContact CB-CE 3.67Å; F78-M81 HydrophobicContact CD1-CE 3.6Å; F78-M81 HydrophobicContact CG-CE 3.99Å; F78-M81 WeakPolarHBondContact O-CB 3.32Å; F78-M81 PolarHBondContact O-N 2.93Å; F78-M81 VanDerWaalsContact O-N 3.09Å |
| 79 | R | 97.3 | Very high | 96.7 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -28.7 | -173.9 | -57.4 | -170.6 | -171.8 | 153.4 | 3.9 | 113.4 | G74 Q75 P76 M81 W82 E110 | G74-R79 PolarHBondContact O-NE 2.95Å; G74-R79 PolarHBondContact O-NH2 3.28Å; G74-R79 VanDerWaalsContact O-NH2 3.08Å; Q75-R79 WeakPolarHBondContact O-CG 3.43Å; P76-R79 PolarHBondContact O-N 3.35Å; R79-M81 PolarHBondContact O-N 3.34Å; R79-M81 VanDerWaalsContact O-N 3.12Å; R79-W82 HydrophobicContact CB-CD2 4.19Å; R79-W82 HydrophobicContact CB-CZ2 4.23Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CH2 4.06Å; R79-W82 HydrophobicContact CG-CZ2 3.6Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.38Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.42Å; R79-E110 VanDerWaalsContact CD-CD 3.44Å; R79-E110 VanDerWaalsContact CD-OE1 3.22Å; R79-E110 WeakPolarHBondContact CD-OE1 3.33Å; R79-E110 IonicContact CZ-OE1 3.8Å; R79-E110 IonicContact NE-OE1 2.7Å; R79-E110 IonicContact NH1-OE1 3.63Å; R79-E110 PolarHBondContact NH1-OE1 2.97Å |
| 80 | S | 94.9 | Very high | 96.6 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 73% | 0.734 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20 | 173 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | F78 | F78-S80 VanDerWaalsContact C-N 3.3Å; F78-S80 PolarHBondContact O-N 3.08Å |
| 81 | M | 95.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -17.9 | 176.4 | -61.1 | -174.3 | -61.5 | 0 | 0 | 113.1 | F78 R79 E83 R84 Y85 | F78-M81 HydrophobicContact CB-CE 3.67Å; F78-M81 HydrophobicContact CD1-CE 3.6Å; F78-M81 HydrophobicContact CG-CE 3.99Å; F78-M81 WeakPolarHBondContact O-CB 3.32Å; F78-M81 PolarHBondContact O-N 2.93Å; F78-M81 VanDerWaalsContact O-N 3.09Å; R79-M81 PolarHBondContact O-N 3.34Å; R79-M81 VanDerWaalsContact O-N 3.12Å; M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 2.86Å; M81-R84 WeakPolarHBondContact O-CB 3.46Å; M81-R84 PolarHBondContact O-N 3.4Å; M81-Y85 HydrophobicContact CB-CD2 4.19Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.49Å; M81-Y85 PolarHBondContact O-N 2.99Å |
| 82 | W | 98.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.6 | -47.9 | -172.9 | -68.5 | 1.7 | 0 | 0 | 0 | 112 | V26 G27 G73 R79 R84 Y85 C86 Y94 E110 L114 | V26-W82 HydrophobicContact CB-CD2 3.97Å; V26-W82 HydrophobicContact CB-CE3 4.23Å; V26-W82 HydrophobicContact CB-CG 4.23Å; V26-W82 HydrophobicContact CG1-CB 3.94Å; V26-W82 HydrophobicContact CG1-CD2 3.88Å; V26-W82 HydrophobicContact CG1-CG 3.6Å; G27-W82 WeakPolarHBondContact O-CZ2 3.22Å; G73-W82 PolarHBondContact O-NE1 2.85Å; G73-W82 VanDerWaalsContact O-NE1 3.1Å; R79-W82 HydrophobicContact CB-CD2 4.19Å; R79-W82 HydrophobicContact CB-CZ2 4.23Å; R79-W82 HydrophobicContact CG-CD2 4.45Å; R79-W82 HydrophobicContact CG-CH2 4.06Å; R79-W82 HydrophobicContact CG-CZ2 3.6Å; R79-W82 VanDerWaalsContact O-CB 3.31Å; R79-W82 WeakPolarHBondContact O-CB 3.38Å; R79-W82 VanDerWaalsContact O-CG 3.26Å; R79-W82 PolarHBondContact O-N 3.42Å; W82-R84 VanDerWaalsContact C-N 3.31Å; W82-R84 PolarHBondContact O-N 2.84Å; W82-Y85 PolarHBondContact O-N 3.3Å; W82-Y85 VanDerWaalsContact O-N 3.16Å; W82-C86 WeakPolarHBondContact O-CB 3Å; W82-C86 PolarHBondContact O-N 3.12Å; W82-C86 PolarHBondContact O-SG 3.41Å; W82-Y94 HydrophobicContact CH2-CE2 4.35Å; W82-Y94 AromaticContact CZ3-CE2 3.91Å; W82-Y94 HydrophobicContact CZ3-CE2 3.91Å; W82-E110 HydrophobicContact CH2-CB 4.24Å; W82-E110 HydrophobicContact CZ3-CB 3.89Å; W82-L114 HydrophobicContact CB-CD1 3.83Å; W82-L114 HydrophobicContact CE3-CD2 4.17Å |
| 83 | E | 97.8 | Very high | 96.8 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.7 | -46.9 | 178.3 | -174.5 | -166.6 | 138.6 | 0 | 0 | 111.9 | M81 Y85 C86 R87 L114 K117 Q119 | M81-E83 VanDerWaalsContact C-N 3.32Å; M81-E83 PolarHBondContact O-N 2.86Å; E83-Y85 VanDerWaalsContact C-N 3.3Å; E83-Y85 PolarHBondContact O-N 3.01Å; E83-C86 PolarHBondContact O-N 3.13Å; E83-R87 WeakPolarHBondContact O-CG 3.25Å; E83-R87 PolarHBondContact O-N 3.42Å; E83-R87 IonicContact OE1-CZ 3.61Å; E83-R87 IonicContact OE1-NE 3.13Å; E83-R87 IonicContact OE1-NH2 2.7Å; E83-R87 PolarHBondContact OE1-NH2 2.84Å; E83-L114 HydrophobicContact CB-CD1 4.4Å; E83-K117 HydrophobicContact CB-CG 4.39Å; E83-K117 HydrophobicContact CG-CB 4Å; E83-K117 HydrophobicContact CG-CG 3.85Å; E83-K117 WeakPolarHBondContact OE2-CD 3.36Å; E83-Q119 PolarHBondContact OE1-OE1 3.11Å |
| 84 | R | 97.1 | Very high | 96.9 | Very high | 172 Ų | 172 | 45.4 Ų | 45.4 | 65% | 0.649 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -58.1 | -41.9 | -178.9 | 177.5 | -176.8 | 173.5 | -176.2 | -0.9 | 112 | M81 W82 | M81-R84 WeakPolarHBondContact O-CB 3.46Å; M81-R84 PolarHBondContact O-N 3.4Å; W82-R84 VanDerWaalsContact C-N 3.31Å; W82-R84 PolarHBondContact O-N 2.84Å |
| 85 | Y | 97.6 | Very high | 97 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 11% | 0.106 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -85.7 | -18.6 | -177.4 | -72.5 | -87.2 | 0 | 0 | 0 | 113.1 | T24 F55 W70 I72 M81 W82 E83 R87 V89 | T24-Y85 PolarHBondContact OG1-O 3.3Å; F55-Y85 HydrophobicContact CD1-CE2 4.16Å; F55-Y85 AromaticContact CD1-CZ 3.74Å; F55-Y85 VanDerWaalsContact CD1-OH 3.23Å; F55-Y85 WeakPolarHBondContact CD1-OH 3.49Å; F55-Y85 AromaticContact CD2-CE1 3.99Å; F55-Y85 HydrophobicContact CD2-CE1 3.99Å; F55-Y85 AromaticContact CE1-CZ 3.93Å; F55-Y85 WeakPolarHBondContact CE1-OH 3.48Å; F55-Y85 HydrophobicContact CE2-CE1 4.24Å; F55-Y85 HydrophobicContact CG-CE1 4.15Å; F55-Y85 HydrophobicContact CG-CE2 4.36Å; F55-Y85 AromaticContact CG-CZ 3.81Å; F55-Y85 WeakPolarHBondContact CZ-OH 3.35Å; W70-Y85 HydrophobicContact CB-CD1 4.37Å; W70-Y85 AromaticContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CD1 3.76Å; W70-Y85 HydrophobicContact CD2-CE1 4.13Å; W70-Y85 AromaticContact CE3-CD1 3.77Å; W70-Y85 HydrophobicContact CE3-CD1 3.77Å; W70-Y85 AromaticContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CG-CD1 4.04Å; W70-Y85 HydrophobicContact CH2-CE1 4.33Å; W70-Y85 HydrophobicContact CZ3-CD1 4.3Å; W70-Y85 AromaticContact CZ3-CE1 3.81Å; W70-Y85 HydrophobicContact CZ3-CE1 3.81Å; I72-Y85 HydrophobicContact CD1-CD1 4.03Å; I72-Y85 HydrophobicContact CD1-CD2 3.9Å; I72-Y85 HydrophobicContact CD1-CG 3.64Å; M81-Y85 HydrophobicContact CB-CD2 4.19Å; M81-Y85 HydrophobicContact CB-CE2 4.19Å; M81-Y85 WeakPolarHBondContact O-CD2 3.49Å; M81-Y85 PolarHBondContact O-N 2.99Å; W82-Y85 PolarHBondContact O-N 3.3Å; W82-Y85 VanDerWaalsContact O-N 3.16Å; E83-Y85 VanDerWaalsContact C-N 3.3Å; E83-Y85 PolarHBondContact O-N 3.01Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; Y85-V89 WeakPolarHBondContact O-CG1 3.48Å |
| 86 | C | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -79.8 | -12.7 | 174 | -70.6 | 0 | 0 | 0 | 0 | 113.3 | T24 W82 E83 G88 V89 I92 L120 I123 | T24-C86 VanDerWaalsContact CG2-SG 3.52Å; W82-C86 WeakPolarHBondContact O-CB 3Å; W82-C86 PolarHBondContact O-N 3.12Å; W82-C86 PolarHBondContact O-SG 3.41Å; E83-C86 PolarHBondContact O-N 3.13Å; C86-G88 PolarHBondContact O-N 3.21Å; C86-V89 VanDerWaalsContact O-CG2 3.31Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; C86-I92 HydrophobicContact CB-CD1 3.77Å; C86-I92 HydrophobicContact CB-CG1 3.99Å; C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.67Å; C86-L120 HydrophobicContact CB-CD2 3.57Å; C86-L120 HydrophobicContact CB-CG 4.29Å; C86-I123 VanDerWaalsContact O-CD1 3.23Å; C86-I123 WeakPolarHBondContact O-CD1 3.37Å |
| 87 | R | 96.2 | Very high | 97.2 | Very high | 127 Ų | 127 | 40.6 Ų | 40.6 | 48% | 0.479 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 129.3 | -179.3 | -72.6 | 170.2 | -170.1 | 179.2 | 1.5 | 111.6 | E83 Y85 V89 Q119 L120 | E83-R87 WeakPolarHBondContact O-CG 3.25Å; E83-R87 PolarHBondContact O-N 3.42Å; E83-R87 IonicContact OE1-CZ 3.61Å; E83-R87 IonicContact OE1-NE 3.13Å; E83-R87 IonicContact OE1-NH2 2.7Å; E83-R87 PolarHBondContact OE1-NH2 2.84Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; R87-V89 PolarHBondContact O-N 3.36Å; R87-Q119 HydrophobicContact CG-CB 4.13Å; R87-L120 HydrophobicContact CG-CD2 3.91Å |
| 88 | G | 92.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 33 Ų | 33 | 57% | 0.567 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 9.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C86 | C86-G88 PolarHBondContact O-N 3.21Š|
| 89 | V | 96.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | trans | -74.5 | 156.9 | 173.6 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | E22 T24 Y85 C86 R87 A91 I92 I123 | E22-V89 HydrophobicContact CG-CG1 4.2Å; E22-V89 WeakPolarHBondContact O-CB 3.47Å; T24-V89 WeakPolarHBondContact OG1-CG1 3.3Å; Y85-V89 WeakPolarHBondContact O-CG1 3.48Å; C86-V89 VanDerWaalsContact O-CG2 3.31Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; R87-V89 PolarHBondContact O-N 3.36Å; V89-A91 VanDerWaalsContact CG2-O 3.3Å; V89-A91 WeakPolarHBondContact CG2-O 3.32Å; V89-I92 HydrophobicContact CG2-CG1 3.94Å; V89-I123 HydrophobicContact CG2-CG2 3.87Å | ||
| 90 | N | 96.9 | Very high | 97.5 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -69.2 | -35.5 | 175.5 | -67.8 | 89.1 | 0 | 0 | 0 | 112.2 | M21 E22 P124 H180 | M21-N90 WeakPolarHBondContact CA-OD1 3.49Å; M21-N90 HydrophobicContact CE-CB 3.67Å; M21-N90 HydrophobicContact CG-CB 3.67Å; E22-N90 PolarHBondContact N-OD1 2.83Å; E22-N90 WeakPolarHBondContact O-CB 3.36Å; E22-N90 PolarHBondContact O-N 2.88Å; E22-N90 PolarHBondContact O-OD1 3.16Å; N90-P124 WeakPolarHBondContact O-CD 3.32Å; N90-H180 PolarHBondContact ND2-O 3.26Å |
| 91 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 151.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M21 L23 T24 V89 P124 W176 | M21-A91 HydrophobicContact CE-CB 4.27Å; L23-A91 WeakPolarHBondContact CA-O 3.43Å; L23-A91 HydrophobicContact CD2-CB 3.68Å; L23-A91 WeakPolarHBondContact CD2-O 3.4Å; T24-A91 PolarHBondContact N-O 2.98Å; V89-A91 VanDerWaalsContact CG2-O 3.3Å; V89-A91 WeakPolarHBondContact CG2-O 3.32Å; A91-P124 CarbonylContact C-O 3.54Å; A91-P124 WeakPolarHBondContact CA-O 3.31Å; A91-P124 HydrophobicContact CB-CB 4.31Å; A91-W176 HydrophobicContact CB-CH2 4.18Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å |
| 92 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.8 | 169.9 | -61.1 | 167.7 | 0 | 0 | 0 | 107.6 | V26 C86 V89 L115 L120 I123 P124 V125 L126 | V26-I92 HydrophobicContact CG2-CG2 3.66Å; C86-I92 HydrophobicContact CB-CD1 3.77Å; C86-I92 HydrophobicContact CB-CG1 3.99Å; V89-I92 HydrophobicContact CG2-CG1 3.94Å; I92-L115 HydrophobicContact CD1-CD2 4.3Å; I92-L120 HydrophobicContact CD1-CD1 4.15Å; I92-I123 HydrophobicContact CD1-CB 4.39Å; I92-I123 HydrophobicContact CD1-CG2 4.1Å; I92-I123 HydrophobicContact CG1-CG2 3.88Å; I92-P124 PolarHBondContact N-O 2.93Å; I92-V125 HydrophobicContact CB-CG2 4.36Å; I92-V125 CarbonylContact O-C 3.56Å; I92-V125 WeakPolarHBondContact O-CA 3.37Å; I92-L126 PolarHBondContact O-N 2.83Å |
| 93 | V | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.3 | 171.3 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | T24 L25 V26 L126 L128 L177 | T24-V93 PolarHBondContact O-N 3.5Å; L25-V93 WeakPolarHBondContact CA-O 3.34Å; L25-V93 HydrophobicContact CD1-CB 3.58Å; L25-V93 HydrophobicContact CD1-CG1 3.37Å; V26-V93 PolarHBondContact N-O 3.22Å; V93-L126 CarbonylContact C-O 3.43Å; V93-L126 WeakPolarHBondContact CA-O 2.84Å; V93-L126 HydrophobicContact CG2-CB 4.49Å; V93-L128 HydrophobicContact CG1-CD1 3.46Å; V93-L128 VanDerWaalsContact CG1-CD1 3.46Å; V93-L128 HydrophobicContact CG1-CG 3.96Å; V93-L177 HydrophobicContact CG2-CD2 3.83Å |
| 94 | Y | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 110.3 | 179.2 | -165.2 | -92.4 | 0 | 0 | 0 | 110.7 | V26 W82 I96 S107 E110 L111 L126 V127 L128 M147 | V26-Y94 HydrophobicContact CG2-CD2 3.83Å; V26-Y94 WeakPolarHBondContact O-CA 3.32Å; W82-Y94 HydrophobicContact CH2-CE2 4.35Å; W82-Y94 AromaticContact CZ3-CE2 3.91Å; W82-Y94 HydrophobicContact CZ3-CE2 3.91Å; Y94-I96 HydrophobicContact CD1-CD1 4.36Å; Y94-I96 HydrophobicContact CD1-CG1 3.86Å; Y94-I96 HydrophobicContact CE1-CG1 3.94Å; Y94-S107 WeakPolarHBondContact CE1-OG 3.31Å; Y94-S107 PolarHBondContact OH-O 3.19Å; Y94-S107 PolarHBondContact OH-OG 3.16Å; Y94-E110 WeakPolarHBondContact OH-CB 3.39Å; Y94-L111 HydrophobicContact CD1-CB 4.26Å; Y94-L111 HydrophobicContact CD1-CD1 4.1Å; Y94-L111 HydrophobicContact CD1-CD2 4.3Å; Y94-L111 HydrophobicContact CD1-CG 4.46Å; Y94-L111 HydrophobicContact CD2-CB 4.34Å; Y94-L111 HydrophobicContact CD2-CD1 3.67Å; Y94-L111 HydrophobicContact CE1-CB 3.85Å; Y94-L111 HydrophobicContact CE2-CB 3.99Å; Y94-L111 HydrophobicContact CE2-CD1 4.16Å; Y94-L111 HydrophobicContact CG-CB 4.49Å; Y94-L111 HydrophobicContact CG-CD1 3.66Å; Y94-L111 HydrophobicContact CG-CG 4.48Å; Y94-L111 PolarHBondContact OH-N 3.1Å; Y94-L126 PolarHBondContact N-O 2.72Å; Y94-V127 WeakPolarHBondContact O-CA 3.31Å; Y94-L128 PolarHBondContact O-N 3.45Å; Y94-M147 HydrophobicContact CE1-CE 4.01Å |
| 95 | M | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.8 | -173.8 | -172.9 | 68.5 | 72.3 | 0 | 0 | 111.8 | L25 V26 S31 K33 F36 L128 N130 I162 | L25-M95 HydrophobicContact CD1-CB 4.26Å; L25-M95 HydrophobicContact CD1-CE 4.23Å; V26-M95 PolarHBondContact O-N 2.83Å; S31-M95 WeakPolarHBondContact CB-O 3.44Å; S31-M95 VanDerWaalsContact O-CG 3.28Å; S31-M95 WeakPolarHBondContact O-CG 3.47Å; S31-M95 WeakPolarHBondContact OG-CG 3.5Å; S31-M95 PolarHBondContact OG-O 3.18Å; K33-M95 HydrophobicContact CD-CB 4.43Å; K33-M95 HydrophobicContact CG-CB 3.6Å; K33-M95 HydrophobicContact CG-CG 4.03Å; F36-M95 HydrophobicContact CB-CE 3.57Å; F36-M95 HydrophobicContact CD1-CE 4.26Å; F36-M95 HydrophobicContact CD2-CE 4.14Å; F36-M95 HydrophobicContact CG-CE 3.74Å; M95-L128 HydrophobicContact CE-CB 4.09Å; M95-L128 HydrophobicContact CE-CD1 3.84Å; M95-L128 HydrophobicContact SD-CB 3.75Å; M95-N130 HydrophobicContact CG-CB 4.45Å; M95-N130 HydrophobicContact SD-CB 3.41Å; M95-N130 WeakPolarHBondContact SD-CB 3.35Å; M95-I162 HydrophobicContact CE-CD1 4.24Å; M95-I162 HydrophobicContact SD-CD1 4.42Å |
| 96 | I | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.6 | 178.3 | -54.3 | 167.9 | 0 | 0 | 0 | 108.5 | Y94 A98 I104 V127 L128 N130 L143 M147 | Y94-I96 HydrophobicContact CD1-CD1 4.36Å; Y94-I96 HydrophobicContact CD1-CG1 3.86Å; Y94-I96 HydrophobicContact CE1-CG1 3.94Å; I96-A98 PolarHBondContact O-N 3.19Å; I96-I104 HydrophobicContact CG2-CD1 3.58Å; I96-V127 HydrophobicContact CD1-CG1 3.36Å; I96-V127 HydrophobicContact CG1-CG1 4.24Å; I96-L128 PolarHBondContact N-O 2.95Å; I96-N130 PolarHBondContact O-N 3.14Å; I96-L143 HydrophobicContact CD1-CD2 4.18Å; I96-L143 HydrophobicContact CG2-CD2 4.17Å; I96-M147 HydrophobicContact CD1-CE 3.57Å; I96-M147 HydrophobicContact CD1-CG 3.62Å; I96-M147 HydrophobicContact CD1-SD 3.67Å; I96-M147 HydrophobicContact CG1-CE 4.2Å |
| 97 | D | 98.5 | Very high | 97.9 | Very high | 21 Ų | 21 | 41 Ų | 41 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 106.6 | 162.2 | -173.4 | -24.6 | 0 | 0 | 0 | 108 | A99 D100 K131 | D97-A99 PolarHBondContact O-N 3.11Å; D97-A99 PolarHBondContact OD1-N 2.93Å; D97-D100 HydrophobicContact CB-CB 3.83Å; D97-D100 PolarHBondContact O-N 3.02Å; D97-D100 PolarHBondContact OD1-N 3.49Å; D97-D100 VanDerWaalsContact OD1-N 3.11Å; D97-K131 VanDerWaalsContact OD2-CE 3.27Å; D97-K131 WeakPolarHBondContact OD2-CE 3.33Å; D97-K131 IonicContact OD2-NZ 2.94Å; D97-K131 PolarHBondContact OD2-NZ 3.26Å |
| 98 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -70 | -20.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I96 N130 A137 L138 L143 | I96-A98 PolarHBondContact O-N 3.19Å; A98-N130 VanDerWaalsContact CB-O 3.26Å; A98-N130 WeakPolarHBondContact CB-O 3.43Å; A98-N130 PolarHBondContact N-O 3.09Å; A98-A137 HydrophobicContact CB-CB 4.19Å; A98-A137 CarbonylContact O-C 3.55Å; A98-A137 WeakPolarHBondContact O-CA 3.34Å; A98-L138 HydrophobicContact CB-CB 4.48Å; A98-L138 PolarHBondContact O-N 2.98Å; A98-L143 HydrophobicContact CB-CD1 4.49Å |
| 99 | A | 98.3 | Very high | 98.3 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -89.3 | -23 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D97 R101 L134 A137 | D97-A99 PolarHBondContact O-N 3.11Å; D97-A99 PolarHBondContact OD1-N 2.93Å; A99-R101 PolarHBondContact O-N 3.32Å; A99-R101 VanDerWaalsContact O-N 3.11Å; A99-L134 HydrophobicContact CB-CB 3.77Å; A99-L134 HydrophobicContact CB-CD1 3.91Å; A99-L134 HydrophobicContact CB-CG 4.46Å; A99-A137 HydrophobicContact CB-CB 4.4Å |
| 100 | D | 97.7 | Very high | 98.4 | Very high | 34 Ų | 34 | 41 Ų | 41 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | trans | -84.9 | 77.3 | 176.7 | -169.2 | -15 | 0 | 0 | 0 | 111.7 | D97 E102 K103 | D97-D100 HydrophobicContact CB-CB 3.83Å; D97-D100 PolarHBondContact O-N 3.02Å; D97-D100 PolarHBondContact OD1-N 3.49Å; D97-D100 VanDerWaalsContact OD1-N 3.11Å; D100-E102 PolarHBondContact O-N 2.89Å; D100-E102 PolarHBondContact OD1-N 2.8Å; D100-K103 PolarHBondContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.47Å; D100-K103 WeakPolarHBondContact OD2-CD 3.48Å; D100-K103 WeakPolarHBondContact OD2-CE 3.44Å; D100-K103 WeakPolarHBondContact OD2-CG 3.19Å; D100-K103 IonicContact OD2-NZ 3.48Å; D100-K103 PolarHBondContact OD2-NZ 2.86Å | ||
| 101 | R | 97.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 40.5 Ų | 40.5 | 46% | 0.464 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -61.4 | -28.8 | -178.5 | -66.7 | -173.8 | 177.8 | -160.4 | -2.3 | 113.5 | A99 K103 I104 N136 L138 | A99-R101 PolarHBondContact O-N 3.32Å; A99-R101 VanDerWaalsContact O-N 3.11Å; R101-K103 VanDerWaalsContact C-N 3.27Å; R101-K103 PolarHBondContact O-N 3.4Å; R101-I104 PolarHBondContact O-N 3.5Å; R101-N136 PolarHBondContact NE-O 3.23Å; R101-N136 PolarHBondContact NH2-O 2.88Å; R101-L138 HydrophobicContact CG-CD2 4.48Å |
| 102 | E | 97.9 | Very high | 98.5 | Very high | 187 Ų | 187 | 42.2 Ų | 42.2 | 87% | 0.874 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -67.2 | -30.2 | -179.3 | -62.5 | -177.4 | 174.9 | 0 | 0 | 111.8 | D100 | D100-E102 PolarHBondContact O-N 2.89Å; D100-E102 PolarHBondContact OD1-N 2.8Å |
| 103 | K | 97.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -92.7 | -1.7 | -179 | -66.7 | -164.9 | -169.4 | 111.3 | 0 | 114.9 | L28 D100 R101 E105 A106 S107 | L28-K103 HydrophobicContact CD1-CB 3.9Å; L28-K103 HydrophobicContact CD1-CD 4.29Å; D100-K103 PolarHBondContact O-N 3.15Å; D100-K103 PolarHBondContact OD1-N 3.47Å; D100-K103 WeakPolarHBondContact OD2-CD 3.48Å; D100-K103 WeakPolarHBondContact OD2-CE 3.44Å; D100-K103 WeakPolarHBondContact OD2-CG 3.19Å; D100-K103 IonicContact OD2-NZ 3.48Å; D100-K103 PolarHBondContact OD2-NZ 2.86Å; R101-K103 VanDerWaalsContact C-N 3.27Å; R101-K103 PolarHBondContact O-N 3.4Å; K103-E105 VanDerWaalsContact C-N 3.34Å; K103-E105 PolarHBondContact O-N 3.34Å; K103-A106 PolarHBondContact O-N 3.28Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.49Å; K103-S107 PolarHBondContact O-N 3.36Å |
| 104 | I | 98.5 | Very high | 98.5 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | -176.2 | -65.3 | -65.3 | 0 | 0 | 0 | 111.9 | I96 R101 S107 R108 L138 L143 K146 M147 | I96-I104 HydrophobicContact CG2-CD1 3.58Å; R101-I104 PolarHBondContact O-N 3.5Å; I104-S107 WeakPolarHBondContact O-CB 2.95Å; I104-S107 PolarHBondContact O-N 3.01Å; I104-R108 WeakPolarHBondContact O-CB 3.34Å; I104-R108 PolarHBondContact O-N 3.41Å; I104-L138 HydrophobicContact CD1-CD1 3.69Å; I104-L138 HydrophobicContact CG1-CD1 3.8Å; I104-L143 HydrophobicContact CD1-CD2 4.43Å; I104-K146 HydrophobicContact CG2-CB 3.75Å; I104-K146 HydrophobicContact CG2-CD 4.26Å; I104-M147 HydrophobicContact CG2-SD 4.06Å |
| 105 | E | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 47.1 Ų | 47.1 | 55% | 0.551 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.6 | -45.9 | 177.6 | 171.7 | 158.7 | -134.3 | 0 | 0 | 112.2 | K103 S107 R108 N109 | K103-E105 VanDerWaalsContact C-N 3.34Å; K103-E105 PolarHBondContact O-N 3.34Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.29Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 2.66Å; E105-R108 IonicContact OE1-NH2 3.82Å; E105-R108 PolarHBondContact OE1-NH2 2.9Å; E105-N109 PolarHBondContact O-N 3.09Å; E105-N109 PolarHBondContact O-OD1 3.48Å |
| 106 | A | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 37% | 0.372 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L28 K103 N109 E110 | L28-A106 HydrophobicContact CD1-CB 4.23Å; K103-A106 PolarHBondContact O-N 3.28Å; A106-N109 PolarHBondContact O-N 3.18Å; A106-E110 VanDerWaalsContact O-CG 3.24Å; A106-E110 WeakPolarHBondContact O-CG 3.29Å; A106-E110 PolarHBondContact O-N 3.1Å; A106-E110 VanDerWaalsContact O-N 3.09Å |
| 107 | S | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 177.4 | -164.5 | 0 | 0 | 0 | 0 | 111.7 | Y94 K103 I104 E105 L111 | Y94-S107 WeakPolarHBondContact CE1-OG 3.31Å; Y94-S107 PolarHBondContact OH-O 3.19Å; Y94-S107 PolarHBondContact OH-OG 3.16Å; K103-S107 VanDerWaalsContact O-CB 3.31Å; K103-S107 WeakPolarHBondContact O-CB 3.49Å; K103-S107 PolarHBondContact O-N 3.36Å; I104-S107 WeakPolarHBondContact O-CB 2.95Å; I104-S107 PolarHBondContact O-N 3.01Å; E105-S107 VanDerWaalsContact C-N 3.25Å; E105-S107 PolarHBondContact O-N 3.29Å; S107-L111 PolarHBondContact O-N 2.61Å |
| 108 | R | 98.9 | Very high | 98.2 | Very high | 73 Ų | 73 | 59.6 Ų | 59.6 | 28% | 0.275 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59 | -52.6 | 174 | 177.6 | -171.5 | 67.8 | -157.7 | -1.5 | 110.7 | I104 E105 E110 L111 H112 K146 M147 | I104-R108 WeakPolarHBondContact O-CB 3.34Å; I104-R108 PolarHBondContact O-N 3.41Å; E105-R108 WeakPolarHBondContact O-CB 3.32Å; E105-R108 PolarHBondContact O-N 2.66Å; E105-R108 IonicContact OE1-NH2 3.82Å; E105-R108 PolarHBondContact OE1-NH2 2.9Å; R108-E110 VanDerWaalsContact C-N 3.27Å; R108-E110 PolarHBondContact O-N 2.95Å; R108-L111 WeakPolarHBondContact O-CB 3.1Å; R108-L111 PolarHBondContact O-N 2.95Å; R108-L111 VanDerWaalsContact O-N 3.11Å; R108-H112 PolarHBondContact O-CD2 3.04Å; R108-H112 VanDerWaalsContact O-CD2 3.26Å; R108-H112 PolarHBondContact O-N 3.14Å; R108-K146 WeakPolarHBondContact CD-O 3.37Å; R108-M147 VanDerWaalsContact CA-CE 3.45Å; R108-M147 HydrophobicContact CB-CE 4.11Å; R108-M147 HydrophobicContact CB-SD 4.04Å |
| 109 | N | 98.8 | Very high | 98.1 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | -175.8 | -62.9 | -10.1 | 0 | 0 | 0 | 111 | E105 A106 N113 | E105-N109 PolarHBondContact O-N 3.09Å; E105-N109 PolarHBondContact O-OD1 3.48Å; A106-N109 PolarHBondContact O-N 3.18Å; N109-N113 WeakPolarHBondContact O-CB 3.41Å; N109-N113 PolarHBondContact O-N 3.45Å; N109-N113 PolarHBondContact O-ND2 3.17Å; N109-N113 VanDerWaalsContact O-ND2 3.14Å |
| 110 | E | 98.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 63.3 Ų | 63.3 | 22% | 0.224 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 176.1 | -68.1 | -72.9 | -175.4 | 0 | 0 | 113.4 | L28 R79 W82 Y94 A106 R108 L114 | L28-E110 HydrophobicContact CD2-CB 4.43Å; L28-E110 HydrophobicContact CD2-CG 3.99Å; R79-E110 VanDerWaalsContact CD-CD 3.44Å; R79-E110 VanDerWaalsContact CD-OE1 3.22Å; R79-E110 WeakPolarHBondContact CD-OE1 3.33Å; R79-E110 IonicContact CZ-OE1 3.8Å; R79-E110 IonicContact NE-OE1 2.7Å; R79-E110 IonicContact NH1-OE1 3.63Å; R79-E110 PolarHBondContact NH1-OE1 2.97Å; W82-E110 HydrophobicContact CH2-CB 4.24Å; W82-E110 HydrophobicContact CZ3-CB 3.89Å; Y94-E110 WeakPolarHBondContact OH-CB 3.39Å; A106-E110 VanDerWaalsContact O-CG 3.24Å; A106-E110 WeakPolarHBondContact O-CG 3.29Å; A106-E110 PolarHBondContact O-N 3.1Å; A106-E110 VanDerWaalsContact O-N 3.09Å; R108-E110 VanDerWaalsContact C-N 3.27Å; R108-E110 PolarHBondContact O-N 2.95Å; E110-L114 VanDerWaalsContact O-CB 3.32Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 2.89Å; E110-L114 VanDerWaalsContact O-N 3.1Å |
| 111 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -54.2 | 173.5 | 175.3 | 60.8 | 0 | 0 | 0 | 110.8 | Y94 S107 R108 N113 L114 L115 V125 V127 M147 L149 I152 | Y94-L111 HydrophobicContact CD1-CB 4.26Å; Y94-L111 HydrophobicContact CD1-CD1 4.1Å; Y94-L111 HydrophobicContact CD1-CD2 4.3Å; Y94-L111 HydrophobicContact CD1-CG 4.46Å; Y94-L111 HydrophobicContact CD2-CB 4.34Å; Y94-L111 HydrophobicContact CD2-CD1 3.67Å; Y94-L111 HydrophobicContact CE1-CB 3.85Å; Y94-L111 HydrophobicContact CE2-CB 3.99Å; Y94-L111 HydrophobicContact CE2-CD1 4.16Å; Y94-L111 HydrophobicContact CG-CB 4.49Å; Y94-L111 HydrophobicContact CG-CD1 3.66Å; Y94-L111 HydrophobicContact CG-CG 4.48Å; Y94-L111 PolarHBondContact OH-N 3.1Å; S107-L111 PolarHBondContact O-N 2.61Å; R108-L111 WeakPolarHBondContact O-CB 3.1Å; R108-L111 PolarHBondContact O-N 2.95Å; R108-L111 VanDerWaalsContact O-N 3.11Å; L111-N113 PolarHBondContact O-N 2.85Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-L114 VanDerWaalsContact O-N 3.16Å; L111-L115 HydrophobicContact CD1-CD1 3.66Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.92Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.23Å; L111-L115 PolarHBondContact O-N 3.23Å; L111-V125 HydrophobicContact CD1-CG1 4.48Å; L111-V127 HydrophobicContact CD2-CG2 4.32Å; L111-M147 HydrophobicContact CB-CE 4.22Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; L111-L149 HydrophobicContact CD2-CD2 3.68Å; L111-I152 HydrophobicContact CD2-CD1 4.43Å |
| 112 | H | 98.8 | Very high | 98 | Very high | 37 Ų | 37 | 64.4 Ų | 64.4 | 17% | 0.171 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | -178.3 | -75.2 | -89.1 | 0 | 0 | 0 | 111.4 | R108 L114 L115 D116 M147 N148 | R108-H112 PolarHBondContact O-CD2 3.04Å; R108-H112 VanDerWaalsContact O-CD2 3.26Å; R108-H112 PolarHBondContact O-N 3.14Å; H112-L114 PolarHBondContact O-N 3.49Å; H112-L115 PolarHBondContact O-N 3.4Å; H112-L115 VanDerWaalsContact O-N 3.08Å; H112-D116 WeakPolarHBondContact O-CB 3.49Å; H112-D116 VanDerWaalsContact O-CG 3.24Å; H112-D116 PolarHBondContact O-N 2.7Å; H112-M147 PolarHBondContact NE2-O 3.31Å; H112-N148 PolarHBondContact CE1-O 2.96Å; H112-N148 PolarHBondContact NE2-O 3.19Å |
| 113 | N | 98.6 | Very high | 97.9 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.1 | -33.5 | 174.7 | -74 | -19.3 | 0 | 0 | 0 | 113.6 | N109 L111 K117 | N109-N113 WeakPolarHBondContact O-CB 3.41Å; N109-N113 PolarHBondContact O-N 3.45Å; N109-N113 PolarHBondContact O-ND2 3.17Å; N109-N113 VanDerWaalsContact O-ND2 3.14Å; L111-N113 PolarHBondContact O-N 2.85Å; N113-K117 VanDerWaalsContact O-CE 3.31Å; N113-K117 WeakPolarHBondContact O-CE 3.37Å |
| 114 | L | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.8 | -44.2 | 175.1 | 177.9 | 66.5 | 0 | 0 | 0 | 111.1 | V26 W82 E83 E110 L111 H112 D116 K117 L120 | V26-L114 HydrophobicContact CG2-CD2 3.89Å; W82-L114 HydrophobicContact CB-CD1 3.83Å; W82-L114 HydrophobicContact CE3-CD2 4.17Å; E83-L114 HydrophobicContact CB-CD1 4.4Å; E110-L114 VanDerWaalsContact O-CB 3.32Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 2.89Å; E110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.24Å; L111-L114 VanDerWaalsContact O-N 3.16Å; H112-L114 PolarHBondContact O-N 3.49Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.49Å; L114-K117 WeakPolarHBondContact O-CB 3.5Å; L114-K117 WeakPolarHBondContact O-CG 3.19Å; L114-K117 PolarHBondContact O-N 2.89Å; L114-L120 HydrophobicContact CD1-CD1 3.59Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.46Å |
| 115 | L | 98.5 | Very high | 98 | Very high | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.3 | -21.6 | -175.9 | -61.3 | -175.7 | 0 | 0 | 0 | 113.4 | I92 L111 H112 K117 V125 I152 R155 | I92-L115 HydrophobicContact CD1-CD2 4.3Å; L111-L115 HydrophobicContact CD1-CD1 3.66Å; L111-L115 HydrophobicContact CD1-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CG 3.92Å; L111-L115 HydrophobicContact CG-CD1 4.05Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 WeakPolarHBondContact O-CG 3.23Å; L111-L115 PolarHBondContact O-N 3.23Å; H112-L115 PolarHBondContact O-N 3.4Å; H112-L115 VanDerWaalsContact O-N 3.08Å; L115-K117 PolarHBondContact O-N 3.02Å; L115-K117 VanDerWaalsContact O-N 3.16Å; L115-V125 HydrophobicContact CD1-CG2 4.08Å; L115-V125 HydrophobicContact CD2-CG2 3.61Å; L115-I152 HydrophobicContact CD1-CD1 3.5Å; L115-I152 HydrophobicContact CD1-CG1 4.12Å; L115-I152 HydrophobicContact CD1-CG2 4.24Å; L115-R155 PolarHBondContact O-NH2 3.16Å; L115-R155 VanDerWaalsContact O-NH2 3.15Å |
| 116 | D | 97.1 | Very high | 98 | Very high | 117 Ų | 117 | 47.3 Ų | 47.3 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.6 | 170.8 | -75.2 | -13.4 | 0 | 0 | 0 | 113.4 | H112 L114 P118 | H112-D116 WeakPolarHBondContact O-CB 3.49Å; H112-D116 VanDerWaalsContact O-CG 3.24Å; H112-D116 PolarHBondContact O-N 2.7Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 3.49Å; D116-P118 VanDerWaalsContact O-CD 3.29Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å |
| 117 | K | 97.7 | Very high | 98 | Very high | 79 Ų | 79 | 45.2 Ų | 45.2 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | trans | -73 | 118 | 179.3 | -58 | -53.7 | -178.7 | -155.4 | 0 | 110.2 | E83 N113 L114 L115 Q119 L120 | E83-K117 HydrophobicContact CB-CG 4.39Å; E83-K117 HydrophobicContact CG-CB 4Å; E83-K117 HydrophobicContact CG-CG 3.85Å; E83-K117 WeakPolarHBondContact OE2-CD 3.36Å; N113-K117 VanDerWaalsContact O-CE 3.31Å; N113-K117 WeakPolarHBondContact O-CE 3.37Å; L114-K117 WeakPolarHBondContact O-CB 3.5Å; L114-K117 WeakPolarHBondContact O-CG 3.19Å; L114-K117 PolarHBondContact O-N 2.89Å; L115-K117 PolarHBondContact O-N 3.02Å; L115-K117 VanDerWaalsContact O-N 3.16Å; K117-Q119 PolarHBondContact O-N 3.08Å; K117-L120 HydrophobicContact CB-CD1 4.22Å; K117-L120 HydrophobicContact CB-CG 4.05Å; K117-L120 PolarHBondContact O-N 2.81Å | ||
| 118 | P | 96 | Very high | 98 | Very high | 90 Ų | 90 | 45 Ų | 45 | 58% | 0.584 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -58.2 | -29.6 | -176.5 | -25.9 | 34.8 | 0 | 0 | 0 | 113.6 | D116 L120 Q121 | D116-P118 VanDerWaalsContact O-CD 3.29Å; D116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-L120 PolarHBondContact O-N 2.8Å; P118-Q121 WeakPolarHBondContact O-CB 3.24Å; P118-Q121 PolarHBondContact O-N 3.21Å |
| 119 | Q | 95.9 | Very high | 98 | Very high | 104 Ų | 104 | 41.6 Ų | 41.6 | 49% | 0.486 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -70 | -12.3 | 179.3 | -61 | 73.4 | 39.2 | 0 | 0 | 113.2 | E83 R87 K117 | E83-Q119 PolarHBondContact OE1-OE1 3.11Å; R87-Q119 HydrophobicContact CG-CB 4.13Å; K117-Q119 PolarHBondContact O-N 3.08Å |
| 120 | L | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -104.9 | 3 | 178.2 | -52.6 | -171 | 0 | 0 | 0 | 112.4 | C86 R87 I92 L114 K117 P118 G122 I123 R155 | C86-L120 VanDerWaalsContact C-CD2 3.49Å; C86-L120 HydrophobicContact CB-CD1 3.67Å; C86-L120 HydrophobicContact CB-CD2 3.57Å; C86-L120 HydrophobicContact CB-CG 4.29Å; R87-L120 HydrophobicContact CG-CD2 3.91Å; I92-L120 HydrophobicContact CD1-CD1 4.15Å; L114-L120 HydrophobicContact CD1-CD1 3.59Å; L114-L120 HydrophobicContact CG-CD1 3.91Å; L114-L120 WeakPolarHBondContact O-CD1 3.46Å; K117-L120 HydrophobicContact CB-CD1 4.22Å; K117-L120 HydrophobicContact CB-CG 4.05Å; K117-L120 PolarHBondContact O-N 2.81Å; P118-L120 PolarHBondContact O-N 2.8Å; L120-G122 PolarHBondContact O-N 3.11Å; L120-I123 HydrophobicContact CB-CD1 4.37Å; L120-I123 HydrophobicContact CD2-CD1 4.15Å; L120-I123 WeakPolarHBondContact O-CB 3.41Å; L120-I123 WeakPolarHBondContact O-CG1 3.46Å; L120-I123 PolarHBondContact O-N 3.4Å; L120-R155 PolarHBondContact O-NH1 3.27Å; L120-R155 PolarHBondContact O-NH2 3.48Å |
| 121 | Q | 96.4 | Very high | 98 | Very high | 137 Ų | 137 | 38.5 Ų | 38.5 | 64% | 0.64 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 136.4 | -177.6 | -172.1 | 178.1 | 4 | 0 | 0 | 111.5 | P118 I123 | P118-Q121 WeakPolarHBondContact O-CB 3.24Å; P118-Q121 PolarHBondContact O-N 3.21Å; Q121-I123 PolarHBondContact O-N 3.03Å; Q121-I123 VanDerWaalsContact O-N 3.12Å |
| 122 | G | 96.2 | Very high | 97.9 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -8.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L120 P124 D154 | L120-G122 PolarHBondContact O-N 3.11Å; G122-P124 WeakPolarHBondContact O-CD 3.2Å; G122-D154 WeakPolarHBondContact CA-O 3.5Å |
| 123 | I | 97.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | trans | -68.1 | 122.8 | 176 | -58.3 | 180 | 0 | 0 | 0 | 108.9 | C86 V89 I92 L120 Q121 R155 | C86-I123 VanDerWaalsContact O-CD1 3.23Å; C86-I123 WeakPolarHBondContact O-CD1 3.37Å; V89-I123 HydrophobicContact CG2-CG2 3.87Å; I92-I123 HydrophobicContact CD1-CB 4.39Å; I92-I123 HydrophobicContact CD1-CG2 4.1Å; I92-I123 HydrophobicContact CG1-CG2 3.88Å; L120-I123 HydrophobicContact CB-CD1 4.37Å; L120-I123 HydrophobicContact CD2-CD1 4.15Å; L120-I123 WeakPolarHBondContact O-CB 3.41Å; L120-I123 WeakPolarHBondContact O-CG1 3.46Å; L120-I123 PolarHBondContact O-N 3.4Å; Q121-I123 PolarHBondContact O-N 3.03Å; Q121-I123 VanDerWaalsContact O-N 3.12Å; I123-R155 WeakPolarHBondContact O-CD 3.28Å; I123-R155 PolarHBondContact O-NH1 3.04Å | ||
| 124 | P | 98.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 16% | 0.156 | 23% | 0.227 | C | C | . | . | trans | -56.7 | 143.7 | 177.9 | -26.5 | 35.2 | 0 | 0 | 0 | 112.9 | N90 A91 I92 G122 E156 W176 | N90-P124 WeakPolarHBondContact O-CD 3.32Å; A91-P124 CarbonylContact C-O 3.54Å; A91-P124 WeakPolarHBondContact CA-O 3.31Å; A91-P124 HydrophobicContact CB-CB 4.31Å; I92-P124 PolarHBondContact N-O 2.93Å; G122-P124 WeakPolarHBondContact O-CD 3.2Å; P124-E156 WeakPolarHBondContact CA-O 3.42Å; P124-E156 HydrophobicContact CB-CB 4.35Å; P124-W176 HydrophobicContact CB-CH2 3.9Å; P124-W176 HydrophobicContact CB-CZ2 4.42Å | ||
| 125 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.8 | -179.1 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | I92 L111 L115 V127 E156 I157 C158 | I92-V125 HydrophobicContact CB-CG2 4.36Å; I92-V125 CarbonylContact O-C 3.56Å; I92-V125 WeakPolarHBondContact O-CA 3.37Å; L111-V125 HydrophobicContact CD1-CG1 4.48Å; L115-V125 HydrophobicContact CD1-CG2 4.08Å; L115-V125 HydrophobicContact CD2-CG2 3.61Å; V125-V127 HydrophobicContact CG1-CG2 4.03Å; V125-E156 PolarHBondContact N-O 2.94Å; V125-I157 HydrophobicContact CB-CD1 4.32Å; V125-I157 HydrophobicContact CB-CG1 4.18Å; V125-I157 HydrophobicContact CG1-CD1 4.25Å; V125-I157 HydrophobicContact CG1-CG1 4.36Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.29Å; V125-C158 PolarHBondContact O-N 2.83Å |
| 126 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 112.4 | 168.3 | -176.7 | 62 | 0 | 0 | 0 | 109.8 | I92 V93 Y94 L128 C158 Y160 T173 W176 L177 | I92-L126 PolarHBondContact O-N 2.83Å; V93-L126 CarbonylContact C-O 3.43Å; V93-L126 WeakPolarHBondContact CA-O 2.84Å; V93-L126 HydrophobicContact CG2-CB 4.49Å; Y94-L126 PolarHBondContact N-O 2.72Å; L126-L128 HydrophobicContact CD1-CD2 4.23Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CD2-CD2 3.95Å; L126-L128 HydrophobicContact CD2-CG 4.34Å; L126-L128 HydrophobicContact CG-CD2 3.82Å; L126-L128 HydrophobicContact CG-CG 4.14Å; L126-C158 HydrophobicContact CD1-CB 3.86Å; L126-Y160 HydrophobicContact CD1-CD2 3.91Å; L126-Y160 HydrophobicContact CD1-CE2 4.1Å; L126-T173 HydrophobicContact CD2-CG2 3.9Å; L126-W176 HydrophobicContact CB-CE3 3.92Å; L126-W176 HydrophobicContact CB-CH2 3.97Å; L126-W176 HydrophobicContact CB-CZ3 3.59Å; L126-W176 HydrophobicContact CD1-CD2 4.08Å; L126-W176 HydrophobicContact CD1-CE3 4.14Å; L126-W176 HydrophobicContact CD1-CG 4.46Å; L126-W176 HydrophobicContact CD2-CD2 4.38Å; L126-W176 HydrophobicContact CD2-CE3 3.74Å; L126-W176 HydrophobicContact CD2-CZ3 4.22Å; L126-W176 HydrophobicContact CG-CE3 4.15Å; L126-W176 HydrophobicContact CG-CZ3 4.34Å; L126-L177 HydrophobicContact CD2-CD2 3.89Å; L126-L177 HydrophobicContact CD2-CG 4.04Å |
| 127 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.7 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | Y94 I96 L111 V125 L149 I157 C158 C159 Y160 | Y94-V127 WeakPolarHBondContact O-CA 3.31Å; I96-V127 HydrophobicContact CD1-CG1 3.36Å; I96-V127 HydrophobicContact CG1-CG1 4.24Å; L111-V127 HydrophobicContact CD2-CG2 4.32Å; V125-V127 HydrophobicContact CG1-CG2 4.03Å; V127-L149 HydrophobicContact CB-CD1 4.14Å; V127-L149 HydrophobicContact CG1-CD1 4.32Å; V127-L149 HydrophobicContact CG2-CD1 3.93Å; V127-L149 HydrophobicContact CG2-CD2 4.04Å; V127-I157 HydrophobicContact CG2-CD1 4.17Å; V127-I157 HydrophobicContact CG2-CG1 4.34Å; V127-C158 PolarHBondContact N-O 3.44Å; V127-C159 HydrophobicContact CB-CB 4.3Å; V127-C159 VanDerWaalsContact O-CA 3.29Å; V127-C159 WeakPolarHBondContact O-CA 3.24Å; V127-Y160 PolarHBondContact O-N 2.68Å |
| 128 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 112.9 | 178.2 | -61.9 | 179.9 | 0 | 0 | 0 | 109.8 | F36 V93 Y94 M95 I96 L126 N130 Y160 I162 T173 | F36-L128 HydrophobicContact CD2-CD1 4.43Å; F36-L128 HydrophobicContact CE1-CD1 4.41Å; F36-L128 HydrophobicContact CE2-CD1 4.04Å; F36-L128 HydrophobicContact CZ-CD1 4.03Å; V93-L128 HydrophobicContact CG1-CD1 3.46Å; V93-L128 VanDerWaalsContact CG1-CD1 3.46Å; V93-L128 HydrophobicContact CG1-CG 3.96Å; Y94-L128 PolarHBondContact O-N 3.45Å; M95-L128 HydrophobicContact CE-CB 4.09Å; M95-L128 HydrophobicContact CE-CD1 3.84Å; M95-L128 HydrophobicContact SD-CB 3.75Å; I96-L128 PolarHBondContact N-O 2.95Å; L126-L128 HydrophobicContact CD1-CD2 4.23Å; L126-L128 HydrophobicContact CD2-CD1 4.48Å; L126-L128 HydrophobicContact CD2-CD2 3.95Å; L126-L128 HydrophobicContact CD2-CG 4.34Å; L126-L128 HydrophobicContact CG-CD2 3.82Å; L126-L128 HydrophobicContact CG-CG 4.14Å; L128-N130 PolarHBondContact O-N 2.82Å; L128-Y160 WeakPolarHBondContact CA-O 3.36Å; L128-Y160 HydrophobicContact CD2-CD2 4.43Å; L128-I162 HydrophobicContact CB-CD1 4.14Å; L128-I162 HydrophobicContact CB-CG1 4.48Å; L128-I162 HydrophobicContact CD1-CD1 4.06Å; L128-I162 HydrophobicContact CD2-CG2 4.14Å; L128-I162 HydrophobicContact CG-CD1 4.5Å; L128-T173 HydrophobicContact CD1-CG2 3.89Å; L128-T173 HydrophobicContact CD2-CG2 3.93Å |
| 129 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 97.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y160 S161 I162 | G129-Y160 PolarHBondContact N-O 2.83Å; G129-S161 CarbonylContact O-C 3.54Å; G129-S161 WeakPolarHBondContact O-CA 3.21Å; G129-I162 PolarHBondContact O-N 3.5Å |
| 130 | N | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 164.5 | -177.7 | -179.7 | 44.9 | 0 | 0 | 0 | 112.4 | S31 M95 I96 A98 L128 I162 C164 | S31-N130 PolarHBondContact O-ND2 3.3Å; M95-N130 HydrophobicContact CG-CB 4.45Å; M95-N130 HydrophobicContact SD-CB 3.41Å; M95-N130 WeakPolarHBondContact SD-CB 3.35Å; I96-N130 PolarHBondContact O-N 3.14Å; A98-N130 VanDerWaalsContact CB-O 3.26Å; A98-N130 WeakPolarHBondContact CB-O 3.43Å; A98-N130 PolarHBondContact N-O 3.09Å; L128-N130 PolarHBondContact O-N 2.82Å; N130-I162 CarbonylContact C-O 3.53Å; N130-I162 WeakPolarHBondContact CA-O 3.11Å; N130-I162 HydrophobicContact CB-CD1 4.31Å; N130-I162 HydrophobicContact CB-CG1 3.96Å; N130-C164 PolarHBondContact OD1-N 3.39Å; N130-C164 PolarHBondContact OD1-SG 3.43Å |
| 131 | K | 98 | Very high | 97.8 | Very high | 49 Ų | 49 | 48.7 Ų | 48.7 | 21% | 0.213 | 26% | 0.256 | C | S | . | . | trans | 69.7 | 35.7 | -177.3 | -43.8 | -173 | -168.2 | 171.1 | 0 | 113.3 | Y30 D97 D133 L134 A137 I162 | Y30-K131 VanDerWaalsContact O-CE 3.32Å; Y30-K131 WeakPolarHBondContact O-CE 3.42Å; Y30-K131 PolarHBondContact O-NZ 2.71Å; D97-K131 VanDerWaalsContact OD2-CE 3.27Å; D97-K131 WeakPolarHBondContact OD2-CE 3.33Å; D97-K131 IonicContact OD2-NZ 2.94Å; D97-K131 PolarHBondContact OD2-NZ 3.26Å; K131-D133 WeakPolarHBondContact CA-OD1 3.36Å; K131-D133 PolarHBondContact O-N 3.44Å; K131-L134 HydrophobicContact CB-CD1 3.8Å; K131-L134 HydrophobicContact CB-CG 4.06Å; K131-L134 HydrophobicContact CD-CD1 3.83Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.21Å; K131-L134 PolarHBondContact O-N 2.97Å; K131-A137 WeakPolarHBondContact O-CB 3.26Å; K131-I162 PolarHBondContact N-O 3.35Å; K131-I162 VanDerWaalsContact N-O 3.15Å | ||
| 132 | R | 98 | Very high | 97.9 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.2 | 172.7 | -178.2 | -179.6 | -178.3 | 137.4 | 5.9 | 113.3 | L134 E140 S161 I162 | R132-L134 PolarHBondContact O-N 2.83Å; R132-E140 IonicContact NH1-OE1 2.67Å; R132-E140 PolarHBondContact NH1-OE1 3.37Å; R132-E140 VanDerWaalsContact NH1-OE1 3.13Å; R132-E140 IonicContact NH1-OE2 2.64Å; R132-E140 PolarHBondContact NH1-OE2 3.4Å; R132-S161 WeakPolarHBondContact CD-OG 3.3Å; R132-I162 VanDerWaalsContact CB-O 3.3Å; R132-I162 WeakPolarHBondContact CB-O 3.5Å; R132-I162 PolarHBondContact N-O 3.46Å |
| 133 | D | 97.6 | Very high | 98 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.1 | 176.6 | 56.8 | -74 | 0 | 0 | 0 | 113.7 | K131 S163 E166 | K131-D133 WeakPolarHBondContact CA-OD1 3.36Å; K131-D133 PolarHBondContact O-N 3.44Å; D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 WeakPolarHBondContact OD1-CB 3.26Å; D133-S163 PolarHBondContact OD1-OG 3.26Å; D133-E166 HydrophobicContact CB-CG 3.74Å |
| 134 | L | 97.8 | Very high | 98 | Very high | 72 Ų | 72 | 45.9 Ų | 45.9 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -84 | 148.9 | -179.3 | -63.6 | -176.4 | 0 | 0 | 0 | 112.3 | A99 K131 R132 A137 | A99-L134 HydrophobicContact CB-CB 3.77Å; A99-L134 HydrophobicContact CB-CD1 3.91Å; A99-L134 HydrophobicContact CB-CG 4.46Å; K131-L134 HydrophobicContact CB-CD1 3.8Å; K131-L134 HydrophobicContact CB-CG 4.06Å; K131-L134 HydrophobicContact CD-CD1 3.83Å; K131-L134 HydrophobicContact CG-CD1 4.41Å; K131-L134 WeakPolarHBondContact O-CB 3.21Å; K131-L134 PolarHBondContact O-N 2.97Å; R132-L134 PolarHBondContact O-N 2.83Å; L134-A137 WeakPolarHBondContact O-CB 3.14Å; L134-A137 PolarHBondContact O-N 3.39Å |
| 135 | P | 94.9 | Very high | 98.1 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 66% | 0.662 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 145 | 174.1 | 27 | -34.9 | 0 | 0 | 0 | 110.7 | A137 | P135-A137 PolarHBondContact O-N 2.89Š|
| 136 | N | 92.9 | Very high | 98.1 | Very high | 116 Ų | 116 | 56.2 Ų | 56.2 | 62% | 0.62 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 7.6 | -178.9 | -50.3 | -56.6 | 0 | 0 | 0 | 116 | R101 L138 | R101-N136 PolarHBondContact NE-O 3.23Å; R101-N136 PolarHBondContact NH2-O 2.88Å; N136-L138 PolarHBondContact O-N 2.99Å |
| 137 | A | 98.3 | Very high | 98 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | trans | -54.5 | 134.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A98 A99 K131 L134 P135 | A98-A137 HydrophobicContact CB-CB 4.19Å; A98-A137 CarbonylContact O-C 3.55Å; A98-A137 WeakPolarHBondContact O-CA 3.34Å; A99-A137 HydrophobicContact CB-CB 4.4Å; K131-A137 WeakPolarHBondContact O-CB 3.26Å; L134-A137 WeakPolarHBondContact O-CB 3.14Å; L134-A137 PolarHBondContact O-N 3.39Å; P135-A137 PolarHBondContact O-N 2.89Å | ||
| 138 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | trans | -71.6 | 135.2 | 175.5 | -60.9 | 174.3 | 0 | 0 | 0 | 110.3 | A98 R101 I104 N136 Q142 L143 K146 | A98-L138 HydrophobicContact CB-CB 4.48Å; A98-L138 PolarHBondContact O-N 2.98Å; R101-L138 HydrophobicContact CG-CD2 4.48Å; I104-L138 HydrophobicContact CD1-CD1 3.69Å; I104-L138 HydrophobicContact CG1-CD1 3.8Å; N136-L138 PolarHBondContact O-N 2.99Å; L138-Q142 HydrophobicContact CB-CB 4.07Å; L138-Q142 HydrophobicContact CD2-CB 3.98Å; L138-L143 HydrophobicContact CB-CD2 3.99Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 3.98Å; L138-K146 HydrophobicContact CD1-CD 3.76Å; L138-K146 HydrophobicContact CD2-CD 4.19Å | ||
| 139 | D | 98.1 | Very high | 98 | Very high | 66 Ų | 66 | 60 Ų | 60 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | trans | -76.4 | 174.4 | 169.6 | 69.6 | 24.9 | 0 | 0 | 0 | 111.8 | K141 Q142 L143 | D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 2.74Å; D139-K141 WeakPolarHBondContact OD1-CB 3.11Å; D139-K141 PolarHBondContact OD1-N 2.84Å; D139-Q142 VanDerWaalsContact N-OE1 3.17Å; D139-Q142 PolarHBondContact O-N 3.06Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.12Å; D139-Q142 VanDerWaalsContact OD1-CG 3.3Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.48Å; D139-Q142 PolarHBondContact OD1-N 3.35Å; D139-L143 WeakPolarHBondContact O-CB 3.37Å; D139-L143 VanDerWaalsContact O-CG 3.3Å; D139-L143 WeakPolarHBondContact O-CG 3.49Å; D139-L143 PolarHBondContact O-N 3.41Å | ||
| 140 | E | 98.4 | Very high | 98 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 23% | 0.229 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.7 | -40.4 | -180 | -67.8 | 84.8 | 170.8 | 0 | 0 | 112.5 | R132 L143 I144 S161 | R132-E140 IonicContact NH1-OE1 2.67Å; R132-E140 PolarHBondContact NH1-OE1 3.37Å; R132-E140 VanDerWaalsContact NH1-OE1 3.13Å; R132-E140 IonicContact NH1-OE2 2.64Å; R132-E140 PolarHBondContact NH1-OE2 3.4Å; E140-L143 PolarHBondContact O-N 3.04Å; E140-I144 WeakPolarHBondContact O-CB 3.45Å; E140-I144 WeakPolarHBondContact O-CD1 3.33Å; E140-I144 WeakPolarHBondContact O-CG1 3.3Å; E140-I144 PolarHBondContact O-N 3.4Å; E140-S161 WeakPolarHBondContact OE1-CA 3.48Å; E140-S161 WeakPolarHBondContact OE1-CB 3.35Å; E140-S161 PolarHBondContact OE1-N 3.48Å |
| 141 | K | 98.5 | Very high | 97.9 | Very high | 161 Ų | 161 | 66.4 Ų | 66.4 | 70% | 0.7 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.2 | -46.4 | -178.2 | -177.9 | -177.6 | 176.3 | -175.9 | 0 | 110.7 | D139 L143 I144 E145 | D139-K141 VanDerWaalsContact C-N 3.27Å; D139-K141 PolarHBondContact O-N 2.74Å; D139-K141 WeakPolarHBondContact OD1-CB 3.11Å; D139-K141 PolarHBondContact OD1-N 2.84Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-I144 PolarHBondContact O-N 2.89Å; K141-E145 PolarHBondContact O-N 3.35Å; K141-E145 VanDerWaalsContact O-N 3.08Å |
| 142 | Q | 98.7 | Very high | 97.9 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 177.5 | -68.5 | 175.9 | -42.7 | 0 | 0 | 111.9 | L138 D139 K146 | L138-Q142 HydrophobicContact CB-CB 4.07Å; L138-Q142 HydrophobicContact CD2-CB 3.98Å; D139-Q142 VanDerWaalsContact N-OE1 3.17Å; D139-Q142 PolarHBondContact O-N 3.06Å; D139-Q142 WeakPolarHBondContact OD1-CB 3.12Å; D139-Q142 VanDerWaalsContact OD1-CG 3.3Å; D139-Q142 WeakPolarHBondContact OD1-CG 3.48Å; D139-Q142 PolarHBondContact OD1-N 3.35Å; Q142-K146 VanDerWaalsContact O-CB 3.26Å; Q142-K146 WeakPolarHBondContact O-CB 3.38Å; Q142-K146 WeakPolarHBondContact O-CG 3.48Å; Q142-K146 PolarHBondContact O-N 3.38Å |
| 143 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 174.5 | -73.4 | 165.9 | 0 | 0 | 0 | 111.4 | I96 A98 I104 L138 D139 E140 K141 E145 K146 M147 | I96-L143 HydrophobicContact CD1-CD2 4.18Å; I96-L143 HydrophobicContact CG2-CD2 4.17Å; A98-L143 HydrophobicContact CB-CD1 4.49Å; I104-L143 HydrophobicContact CD1-CD2 4.43Å; L138-L143 HydrophobicContact CB-CD2 3.99Å; L138-L143 HydrophobicContact CB-CG 3.85Å; L138-L143 HydrophobicContact CD1-CD2 3.98Å; D139-L143 WeakPolarHBondContact O-CB 3.37Å; D139-L143 VanDerWaalsContact O-CG 3.3Å; D139-L143 WeakPolarHBondContact O-CG 3.49Å; D139-L143 PolarHBondContact O-N 3.41Å; E140-L143 PolarHBondContact O-N 3.04Å; K141-L143 VanDerWaalsContact C-N 3.33Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.23Å; L143-K146 PolarHBondContact O-N 3.08Å; L143-M147 WeakPolarHBondContact O-CB 3.08Å; L143-M147 WeakPolarHBondContact O-CG 3.47Å; L143-M147 PolarHBondContact O-N 3.35Å |
| 144 | I | 98.7 | Very high | 97.8 | Very high | 72 Ų | 72 | 69.1 Ų | 69.1 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.9 | -46.5 | 177 | -74 | 160.1 | 0 | 0 | 0 | 110.9 | E140 K141 N148 L149 C159 | E140-I144 WeakPolarHBondContact O-CB 3.45Å; E140-I144 WeakPolarHBondContact O-CD1 3.33Å; E140-I144 WeakPolarHBondContact O-CG1 3.3Å; E140-I144 PolarHBondContact O-N 3.4Å; K141-I144 PolarHBondContact O-N 2.89Å; I144-N148 PolarHBondContact O-N 2.97Å; I144-L149 HydrophobicContact CG1-CD1 4.04Å; I144-L149 HydrophobicContact CG2-CB 4.48Å; I144-L149 PolarHBondContact O-N 3.45Å; I144-C159 HydrophobicContact CD1-CB 4.29Å; I144-C159 HydrophobicContact CG1-CB 3.91Å |
| 145 | E | 98.7 | Very high | 97.8 | Very high | 142 Ų | 142 | 66.9 Ų | 66.9 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.9 | -55.5 | 178.7 | -175.8 | -178.5 | -179 | 0 | 0 | 111.8 | K141 L143 M147 N148 | K141-E145 PolarHBondContact O-N 3.35Å; K141-E145 VanDerWaalsContact O-N 3.08Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 3.23Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 3.32Å; E145-N148 PolarHBondContact O-N 3.01Å |
| 146 | K | 98.7 | Very high | 97.9 | Very high | 100 Ų | 100 | 66.7 Ų | 66.7 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.7 | -32.6 | -173.8 | -73 | -177.6 | 173.8 | -65.9 | 0 | 113.4 | I104 R108 L138 Q142 L143 | I104-K146 HydrophobicContact CG2-CB 3.75Å; I104-K146 HydrophobicContact CG2-CD 4.26Å; R108-K146 WeakPolarHBondContact CD-O 3.37Å; L138-K146 HydrophobicContact CD1-CD 3.76Å; L138-K146 HydrophobicContact CD2-CD 4.19Å; Q142-K146 VanDerWaalsContact O-CB 3.26Å; Q142-K146 WeakPolarHBondContact O-CB 3.38Å; Q142-K146 WeakPolarHBondContact O-CG 3.48Å; Q142-K146 PolarHBondContact O-N 3.38Å; L143-K146 PolarHBondContact O-N 3.08Å |
| 147 | M | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.2 | 175.1 | -60.6 | -63.9 | -62.6 | 0 | 0 | 112.4 | Y94 I96 I104 R108 L111 H112 L143 E145 L149 | Y94-M147 HydrophobicContact CE1-CE 4.01Å; I96-M147 HydrophobicContact CD1-CE 3.57Å; I96-M147 HydrophobicContact CD1-CG 3.62Å; I96-M147 HydrophobicContact CD1-SD 3.67Å; I96-M147 HydrophobicContact CG1-CE 4.2Å; I104-M147 HydrophobicContact CG2-SD 4.06Å; R108-M147 VanDerWaalsContact CA-CE 3.45Å; R108-M147 HydrophobicContact CB-CE 4.11Å; R108-M147 HydrophobicContact CB-SD 4.04Å; L111-M147 HydrophobicContact CB-CE 4.22Å; L111-M147 HydrophobicContact CD2-CE 3.87Å; H112-M147 PolarHBondContact NE2-O 3.31Å; L143-M147 WeakPolarHBondContact O-CB 3.08Å; L143-M147 WeakPolarHBondContact O-CG 3.47Å; L143-M147 PolarHBondContact O-N 3.35Å; E145-M147 VanDerWaalsContact C-N 3.35Å; E145-M147 PolarHBondContact O-N 3.32Å; M147-L149 VanDerWaalsContact C-N 3.3Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.86Å; M147-L149 PolarHBondContact O-N 2.79Å |
| 148 | N | 98.6 | Very high | 98.2 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 46.7 | -178.8 | -168.9 | 32.5 | 0 | 0 | 0 | 112.3 | H112 I144 E145 S150 A151 | H112-N148 PolarHBondContact CE1-O 2.96Å; H112-N148 PolarHBondContact NE2-O 3.19Å; I144-N148 PolarHBondContact O-N 2.97Å; E145-N148 PolarHBondContact O-N 3.01Å; N148-S150 PolarHBondContact O-N 3.24Å; N148-A151 VanDerWaalsContact ND2-CB 3.32Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 3.28Å |
| 149 | L | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -69.4 | -24.9 | -174.5 | -57.6 | -171.8 | 0 | 0 | 0 | 112.3 | L111 V127 I144 M147 A151 I152 I157 C159 | L111-L149 HydrophobicContact CD2-CD2 3.68Å; V127-L149 HydrophobicContact CB-CD1 4.14Å; V127-L149 HydrophobicContact CG1-CD1 4.32Å; V127-L149 HydrophobicContact CG2-CD1 3.93Å; V127-L149 HydrophobicContact CG2-CD2 4.04Å; I144-L149 HydrophobicContact CG1-CD1 4.04Å; I144-L149 HydrophobicContact CG2-CB 4.48Å; I144-L149 PolarHBondContact O-N 3.45Å; M147-L149 VanDerWaalsContact C-N 3.3Å; M147-L149 HydrophobicContact CB-CD2 3.52Å; M147-L149 HydrophobicContact CB-CG 3.86Å; M147-L149 PolarHBondContact O-N 2.79Å; L149-A151 PolarHBondContact O-N 2.92Å; L149-I152 HydrophobicContact CD2-CD1 4.22Å; L149-I152 WeakPolarHBondContact O-CB 3.31Å; L149-I152 PolarHBondContact O-N 3.39Å; L149-I152 VanDerWaalsContact O-N 3.11Å; L149-I157 HydrophobicContact CB-CD1 4.17Å; L149-I157 HydrophobicContact CD1-CD1 4.43Å; L149-I157 HydrophobicContact CD2-CD1 3.92Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; L149-C159 HydrophobicContact CD1-CB 3.85Å |
| 150 | S | 97.5 | Very high | 98.2 | Very high | 86 Ų | 86 | 63.8 Ų | 63.8 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -66 | -18.8 | 176.5 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | N148 I152 | N148-S150 PolarHBondContact O-N 3.24Å; S150-I152 VanDerWaalsContact C-N 3.28Å |
| 151 | A | 98.1 | Very high | 98.2 | Very high | 54 Ų | 54 | 61.5 Ų | 61.5 | 45% | 0.446 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -76 | -17.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | N148 L149 Q153 | N148-A151 VanDerWaalsContact ND2-CB 3.32Å; N148-A151 WeakPolarHBondContact ND2-CB 3.43Å; N148-A151 PolarHBondContact O-N 3.28Å; L149-A151 PolarHBondContact O-N 2.92Å; A151-Q153 PolarHBondContact O-N 2.8Å |
| 152 | I | 98.2 | Very high | 98.2 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.087 | 28% | 0.278 | C | S | . | . | trans | -86.9 | 106.6 | 178.7 | -60.8 | 159.7 | 0 | 0 | 0 | 107.9 | L111 L115 L149 S150 R155 I157 | L111-I152 HydrophobicContact CD2-CD1 4.43Å; L115-I152 HydrophobicContact CD1-CD1 3.5Å; L115-I152 HydrophobicContact CD1-CG1 4.12Å; L115-I152 HydrophobicContact CD1-CG2 4.24Å; L149-I152 HydrophobicContact CD2-CD1 4.22Å; L149-I152 WeakPolarHBondContact O-CB 3.31Å; L149-I152 PolarHBondContact O-N 3.39Å; L149-I152 VanDerWaalsContact O-N 3.11Å; S150-I152 VanDerWaalsContact C-N 3.28Å; I152-R155 HydrophobicContact CG2-CG 3.62Å; I152-I157 HydrophobicContact CB-CD1 4.26Å; I152-I157 HydrophobicContact CD1-CD1 3.48Å; I152-I157 VanDerWaalsContact CD1-CD1 3.48Å; I152-I157 HydrophobicContact CG1-CD1 4.48Å; I152-I157 HydrophobicContact CG2-CD1 4.28Å | ||
| 153 | Q | 96.4 | Very high | 98.2 | Very high | 175 Ų | 175 | 50.8 Ų | 50.8 | 82% | 0.818 | 26% | 0.263 | S | S | * | . | trans | -120.1 | -6.5 | -172.8 | -61.9 | -175 | -6.5 | 0 | 0 | 113.9 | A151 | A151-Q153 PolarHBondContact O-N 2.8Š| ||
| 154 | D | 95.9 | Very high | 98.2 | Very high | 73 Ų | 73 | 50.8 Ų | 50.8 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -92.1 | 5.9 | -173.2 | 72.9 | -37 | 0 | 0 | 0 | 113.9 | G122 | G122-D154 WeakPolarHBondContact CA-O 3.5Š|
| 155 | R | 97.4 | Very high | 98.1 | Very high | 24 Ų | 24 | 51.5 Ų | 51.5 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -160.1 | 163.5 | -174.5 | 64.5 | -164.2 | 68.9 | -141.1 | 5.5 | 111.6 | L115 L120 I123 I152 | L115-R155 PolarHBondContact O-NH2 3.16Å; L115-R155 VanDerWaalsContact O-NH2 3.15Å; L120-R155 PolarHBondContact O-NH1 3.27Å; L120-R155 PolarHBondContact O-NH2 3.48Å; I123-R155 WeakPolarHBondContact O-CD 3.28Å; I123-R155 PolarHBondContact O-NH1 3.04Å; I152-R155 HydrophobicContact CG2-CG 3.62Å |
| 156 | E | 97.8 | Very high | 98 | Very high | 98 Ų | 98 | 49.9 Ų | 49.9 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | trans | -66.9 | 132.6 | 164.1 | -178.2 | 176.5 | 159.2 | 0 | 0 | 110 | P124 V125 W176 H180 | P124-E156 WeakPolarHBondContact CA-O 3.42Å; P124-E156 HydrophobicContact CB-CB 4.35Å; V125-E156 PolarHBondContact N-O 2.94Å; E156-W176 HydrophobicContact CG-CZ2 4.36Å; E156-W176 WeakPolarHBondContact OE1-CZ2 3.36Å; E156-W176 PolarHBondContact OE1-NE1 2.67Å; E156-W176 VanDerWaalsContact OE1-NE1 3.13Å; E156-H180 IonicContact OE1-CE1 3.22Å; E156-H180 PolarHBondContact OE1-CE1 3.36Å; E156-H180 IonicContact OE1-NE2 3.72Å; E156-H180 IonicContact OE2-CE1 3.34Å; E156-H180 IonicContact OE2-NE2 3.52Å; E156-H180 PolarHBondContact OE2-NE2 2.87Å | ||
| 157 | I | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.9 | 172.9 | -169.3 | 160.4 | 0 | 0 | 0 | 110.7 | V125 V127 L149 I152 | V125-I157 HydrophobicContact CB-CD1 4.32Å; V125-I157 HydrophobicContact CB-CG1 4.18Å; V125-I157 HydrophobicContact CG1-CD1 4.25Å; V125-I157 HydrophobicContact CG1-CG1 4.36Å; V125-I157 VanDerWaalsContact O-CA 3.31Å; V125-I157 WeakPolarHBondContact O-CA 3.29Å; V127-I157 HydrophobicContact CG2-CD1 4.17Å; V127-I157 HydrophobicContact CG2-CG1 4.34Å; L149-I157 HydrophobicContact CB-CD1 4.17Å; L149-I157 HydrophobicContact CD1-CD1 4.43Å; L149-I157 HydrophobicContact CD2-CD1 3.92Å; L149-I157 HydrophobicContact CG-CD1 4.39Å; I152-I157 HydrophobicContact CB-CD1 4.26Å; I152-I157 HydrophobicContact CD1-CD1 3.48Å; I152-I157 VanDerWaalsContact CD1-CD1 3.48Å; I152-I157 HydrophobicContact CG1-CD1 4.48Å; I152-I157 HydrophobicContact CG2-CD1 4.28Å |
| 158 | C | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 151.6 | 176.2 | -165.9 | 0 | 0 | 0 | 0 | 110.1 | V125 L126 V127 Y160 W176 | V125-C158 PolarHBondContact O-N 2.83Å; L126-C158 HydrophobicContact CD1-CB 3.86Å; V127-C158 PolarHBondContact N-O 3.44Å; C158-Y160 VanDerWaalsContact SG-CZ 3.58Å; C158-W176 HydrophobicContact CB-CZ2 4.06Å |
| 159 | C | 98.8 | Very high | 97.8 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 10% | 0.101 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 125 | -179.7 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | V127 I144 L149 | V127-C159 HydrophobicContact CB-CB 4.3Å; V127-C159 VanDerWaalsContact O-CA 3.29Å; V127-C159 WeakPolarHBondContact O-CA 3.24Å; I144-C159 HydrophobicContact CD1-CB 4.29Å; I144-C159 HydrophobicContact CG1-CB 3.91Å; L149-C159 HydrophobicContact CD1-CB 3.85Å |
| 160 | Y | 98.7 | Very high | 97.8 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 141.8 | 173.4 | -62.1 | -37.5 | 0 | 0 | 0 | 111.2 | L126 V127 L128 G129 C158 I172 W176 | L126-Y160 HydrophobicContact CD1-CD2 3.91Å; L126-Y160 HydrophobicContact CD1-CE2 4.1Å; V127-Y160 PolarHBondContact O-N 2.68Å; L128-Y160 WeakPolarHBondContact CA-O 3.36Å; L128-Y160 HydrophobicContact CD2-CD2 4.43Å; G129-Y160 PolarHBondContact N-O 2.83Å; C158-Y160 VanDerWaalsContact SG-CZ 3.58Å; Y160-I172 HydrophobicContact CD1-CD1 4.34Å; Y160-I172 HydrophobicContact CD2-CG1 4.46Å; Y160-I172 HydrophobicContact CE1-CD1 4.48Å; Y160-I172 HydrophobicContact CG-CD1 4.4Å; Y160-W176 HydrophobicContact CE2-CB 3.95Å; Y160-W176 HydrophobicContact CE2-CG 4.34Å |
| 161 | S | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.4 | 168.2 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | G129 R132 E140 N169 | G129-S161 CarbonylContact O-C 3.54Å; G129-S161 WeakPolarHBondContact O-CA 3.21Å; R132-S161 WeakPolarHBondContact CD-OG 3.3Å; E140-S161 WeakPolarHBondContact OE1-CA 3.48Å; E140-S161 WeakPolarHBondContact OE1-CB 3.35Å; E140-S161 PolarHBondContact OE1-N 3.48Å; S161-N169 PolarHBondContact O-ND2 2.87Å |
| 162 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -129.8 | 162 | -171.2 | 70.4 | 166.6 | 0 | 0 | 0 | 111.2 | F36 M95 L128 G129 N130 K131 R132 D168 N169 I170 | F36-I162 HydrophobicContact CD2-CD1 3.98Å; F36-I162 HydrophobicContact CE2-CD1 4.27Å; M95-I162 HydrophobicContact CE-CD1 4.24Å; M95-I162 HydrophobicContact SD-CD1 4.42Å; L128-I162 HydrophobicContact CB-CD1 4.14Å; L128-I162 HydrophobicContact CB-CG1 4.48Å; L128-I162 HydrophobicContact CD1-CD1 4.06Å; L128-I162 HydrophobicContact CD2-CG2 4.14Å; L128-I162 HydrophobicContact CG-CD1 4.5Å; G129-I162 PolarHBondContact O-N 3.5Å; N130-I162 CarbonylContact C-O 3.53Å; N130-I162 WeakPolarHBondContact CA-O 3.11Å; N130-I162 HydrophobicContact CB-CD1 4.31Å; N130-I162 HydrophobicContact CB-CG1 3.96Å; K131-I162 PolarHBondContact N-O 3.35Å; K131-I162 VanDerWaalsContact N-O 3.15Å; R132-I162 VanDerWaalsContact CB-O 3.3Å; R132-I162 WeakPolarHBondContact CB-O 3.5Å; R132-I162 PolarHBondContact N-O 3.46Å; I162-D168 WeakPolarHBondContact CB-O 3.48Å; I162-N169 HydrophobicContact CG2-CB 3.93Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.07Å | ||
| 163 | S | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -124.2 | 116.5 | 160.3 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | D133 K165 E166 K167 D168 | D133-S163 VanDerWaalsContact CG-OG 3.3Å; D133-S163 WeakPolarHBondContact OD1-CB 3.26Å; D133-S163 PolarHBondContact OD1-OG 3.26Å; S163-K165 PolarHBondContact O-N 3.37Å; S163-K165 PolarHBondContact OG-N 2.8Å; S163-E166 PolarHBondContact OG-N 2.85Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.3Å; S163-K167 PolarHBondContact O-N 3.24Å; S163-D168 PolarHBondContact N-O 3.29Å; S163-D168 PolarHBondContact O-N 2.77Å; S163-D168 VanDerWaalsContact O-N 3.16Å | ||
| 164 | C | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.6 | 168.5 | -67 | 0 | 0 | 0 | 0 | 112.2 | T35 V39 N130 | T35-C164 HydrophobicContact CG2-CB 3.77Å; V39-C164 HydrophobicContact CG2-CB 4.16Å; V39-C164 WeakPolarHBondContact CG2-O 3.46Å; N130-C164 PolarHBondContact OD1-N 3.39Å; N130-C164 PolarHBondContact OD1-SG 3.43Å |
| 165 | K | 96.8 | Very high | 97.4 | Very high | 87 Ų | 87 | 47 Ų | 47 | 38% | 0.378 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -55.7 | -179 | -179.6 | -177.9 | 172.3 | -177.5 | 0 | 110.7 | F45 S163 K167 | F45-K165 HydrophobicContact CD1-CG 4.17Å; F45-K165 HydrophobicContact CD2-CB 4.19Å; F45-K165 HydrophobicContact CE1-CB 4.25Å; F45-K165 HydrophobicContact CE1-CD 4.28Å; F45-K165 HydrophobicContact CE1-CG 3.78Å; F45-K165 HydrophobicContact CE2-CB 3.85Å; F45-K165 HydrophobicContact CE2-CG 4.3Å; F45-K165 HydrophobicContact CZ-CB 3.89Å; F45-K165 HydrophobicContact CZ-CD 4.27Å; F45-K165 HydrophobicContact CZ-CG 3.87Å; S163-K165 PolarHBondContact O-N 3.37Å; S163-K165 PolarHBondContact OG-N 2.8Å; K165-K167 VanDerWaalsContact C-N 3.33Å |
| 166 | E | 97 | Very high | 97.4 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 50% | 0.5 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -7.9 | -178 | -55.7 | -54 | 145.3 | 0 | 0 | 112.8 | D133 S163 D168 | D133-E166 HydrophobicContact CB-CG 3.74Å; S163-E166 PolarHBondContact OG-N 2.85Å; E166-D168 VanDerWaalsContact C-N 3.27Å; E166-D168 PolarHBondContact O-N 2.94Å |
| 167 | K | 96.3 | Very high | 97.2 | Very high | 110 Ų | 110 | 41.9 Ų | 41.9 | 48% | 0.478 | 20% | 0.204 | S | C | . | . | trans | 66.8 | 23.5 | -177.9 | -53.5 | 172.9 | 180 | 174.2 | 0 | 114.3 | V39 G43 S163 K165 N169 I170 | V39-K167 HydrophobicContact CG1-CG 4.3Å; G43-K167 WeakPolarHBondContact O-CE 3.48Å; G43-K167 PolarHBondContact O-NZ 2.72Å; S163-K167 CarbonylContact O-C 3.57Å; S163-K167 WeakPolarHBondContact O-CA 3.3Å; S163-K167 PolarHBondContact O-N 3.24Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K167-N169 PolarHBondContact O-N 3.05Å; K167-I170 HydrophobicContact CB-CG1 4.27Å; K167-I170 WeakPolarHBondContact O-CG1 3.13Å | ||
| 168 | D | 97.9 | Very high | 96.9 | Very high | 70 Ų | 70 | 42 Ų | 42 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 132.7 | 174.2 | -63.2 | -23.7 | 0 | 0 | 0 | 111.3 | I162 S163 E166 I170 | I162-D168 WeakPolarHBondContact CB-O 3.48Å; S163-D168 PolarHBondContact N-O 3.29Å; S163-D168 PolarHBondContact O-N 2.77Å; S163-D168 VanDerWaalsContact O-N 3.16Å; E166-D168 VanDerWaalsContact C-N 3.27Å; E166-D168 PolarHBondContact O-N 2.94Å; D168-I170 PolarHBondContact O-N 3.39Å |
| 169 | N | 98.2 | Very high | 96.6 | Very high | 46 Ų | 46 | 47.3 Ų | 47.3 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 16 | 173.4 | -66.2 | -22.1 | 0 | 0 | 0 | 115.5 | S161 I162 K167 I172 T173 | S161-N169 PolarHBondContact O-ND2 2.87Å; I162-N169 HydrophobicContact CG2-CB 3.93Å; K167-N169 PolarHBondContact O-N 3.05Å; N169-I172 HydrophobicContact CB-CD1 3.72Å; N169-I172 HydrophobicContact CB-CG1 3.8Å; N169-I172 VanDerWaalsContact O-CG1 3.24Å; N169-I172 WeakPolarHBondContact O-CG1 3.33Å; N169-T173 VanDerWaalsContact O-CB 3.31Å; N169-T173 WeakPolarHBondContact O-CB 3.45Å; N169-T173 PolarHBondContact O-N 3.33Å; N169-T173 VanDerWaalsContact O-N 3.15Å; N169-T173 PolarHBondContact O-OG1 2.94Å |
| 170 | I | 97.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.6 | -36 | 177.5 | -60.5 | -60.5 | 0 | 0 | 0 | 111.4 | F36 V39 I40 I162 K167 D168 T173 L174 | F36-I170 HydrophobicContact CD2-CD1 4.12Å; F36-I170 HydrophobicContact CE2-CD1 4.07Å; V39-I170 HydrophobicContact CG1-CD1 4.46Å; V39-I170 HydrophobicContact CG1-CG1 4.28Å; V39-I170 HydrophobicContact CG1-CG2 4.32Å; I40-I170 HydrophobicContact CG2-CG2 4.14Å; I162-I170 HydrophobicContact CB-CD1 4.48Å; I162-I170 HydrophobicContact CD1-CD1 4.07Å; K167-I170 HydrophobicContact CB-CG1 4.27Å; K167-I170 WeakPolarHBondContact O-CG1 3.13Å; D168-I170 PolarHBondContact O-N 3.39Å; I170-T173 WeakPolarHBondContact O-CB 3.47Å; I170-T173 PolarHBondContact O-N 2.93Å; I170-L174 HydrophobicContact CG2-CD1 4.27Å; I170-L174 WeakPolarHBondContact O-CG 3.3Å; I170-L174 PolarHBondContact O-N 3.48Å |
| 171 | D | 95.3 | Very high | 95.7 | Very high | 97 Ų | 97 | 45.1 Ų | 45.1 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -49.5 | 177.7 | 59.7 | -25.6 | 0 | 0 | 0 | 112.4 | T173 L174 Q175 | D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.31Å; D171-L174 PolarHBondContact O-N 3.13Å; D171-Q175 WeakPolarHBondContact O-CG 3.32Å; D171-Q175 PolarHBondContact O-N 2.8Å |
| 172 | I | 96.5 | Very high | 94.4 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 28% | 0.277 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.4 | -35 | 176.3 | 65.2 | 171.7 | 0 | 0 | 0 | 111.5 | Y160 N169 Q175 W176 | Y160-I172 HydrophobicContact CD1-CD1 4.34Å; Y160-I172 HydrophobicContact CD2-CG1 4.46Å; Y160-I172 HydrophobicContact CE1-CD1 4.48Å; Y160-I172 HydrophobicContact CG-CD1 4.4Å; N169-I172 HydrophobicContact CB-CD1 3.72Å; N169-I172 HydrophobicContact CB-CG1 3.8Å; N169-I172 VanDerWaalsContact O-CG1 3.24Å; N169-I172 WeakPolarHBondContact O-CG1 3.33Å; I172-Q175 PolarHBondContact O-N 3.04Å; I172-W176 PolarHBondContact O-N 2.89Å |
| 173 | T | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 173 | -65.2 | 0 | 0 | 0 | 0 | 110.8 | F36 L126 L128 N169 I170 D171 Q175 W176 L177 | F36-T173 HydrophobicContact CE2-CG2 3.85Å; F36-T173 HydrophobicContact CZ-CG2 3.65Å; L126-T173 HydrophobicContact CD2-CG2 3.9Å; L128-T173 HydrophobicContact CD1-CG2 3.89Å; L128-T173 HydrophobicContact CD2-CG2 3.93Å; N169-T173 VanDerWaalsContact O-CB 3.31Å; N169-T173 WeakPolarHBondContact O-CB 3.45Å; N169-T173 PolarHBondContact O-N 3.33Å; N169-T173 VanDerWaalsContact O-N 3.15Å; N169-T173 PolarHBondContact O-OG1 2.94Å; I170-T173 WeakPolarHBondContact O-CB 3.47Å; I170-T173 PolarHBondContact O-N 2.93Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 3.31Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.1Å; T173-W176 PolarHBondContact O-N 2.64Å; T173-L177 HydrophobicContact CG2-CD1 4.29Å; T173-L177 WeakPolarHBondContact O-CG 3.27Å; T173-L177 PolarHBondContact O-N 3.33Å; T173-L177 VanDerWaalsContact O-N 3.12Å |
| 174 | L | 95.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 176.9 | -74.8 | 173.5 | 0 | 0 | 0 | 112.3 | I40 K62 I67 I170 D171 L177 I178 | I40-L174 HydrophobicContact CB-CD2 4.29Å; I40-L174 HydrophobicContact CG2-CD1 4.38Å; I40-L174 HydrophobicContact CG2-CD2 3.98Å; I40-L174 HydrophobicContact CG2-CG 4.34Å; K62-L174 HydrophobicContact CD-CD1 4.42Å; K62-L174 HydrophobicContact CG-CD1 4.45Å; K62-L174 HydrophobicContact CG-CD2 4.49Å; I67-L174 HydrophobicContact CD1-CD2 4.42Å; I170-L174 HydrophobicContact CG2-CD1 4.27Å; I170-L174 WeakPolarHBondContact O-CG 3.3Å; I170-L174 PolarHBondContact O-N 3.48Å; D171-L174 PolarHBondContact O-N 3.13Å; L174-L177 PolarHBondContact O-N 2.88Å; L174-I178 WeakPolarHBondContact O-CB 3.4Å; L174-I178 WeakPolarHBondContact O-CD1 3.44Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.15Å |
| 175 | Q | 94.3 | Very high | 87.6 | Confident | 111 Ų | 111 | 74.3 Ų | 74.3 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 175.8 | -73 | 173.7 | 8.4 | 0 | 0 | 111.6 | D171 I172 T173 L177 I178 Q179 | D171-Q175 WeakPolarHBondContact O-CG 3.32Å; D171-Q175 PolarHBondContact O-N 2.8Å; I172-Q175 PolarHBondContact O-N 3.04Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.1Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.47Å; Q175-I178 PolarHBondContact O-N 3.2Å; Q175-Q179 VanDerWaalsContact O-CG 3.3Å; Q175-Q179 WeakPolarHBondContact O-CG 3.34Å; Q175-Q179 PolarHBondContact O-N 2.99Å |
| 176 | W | 95.8 | Very high | 84.7 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 5% | 0.045 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 176.2 | -173.3 | 93.9 | 0 | 0 | 0 | 111.4 | A91 P124 L126 E156 C158 Y160 I172 T173 Q179 H180 | A91-W176 HydrophobicContact CB-CH2 4.18Å; A91-W176 HydrophobicContact CB-CZ3 3.89Å; P124-W176 HydrophobicContact CB-CH2 3.9Å; P124-W176 HydrophobicContact CB-CZ2 4.42Å; L126-W176 HydrophobicContact CB-CE3 3.92Å; L126-W176 HydrophobicContact CB-CH2 3.97Å; L126-W176 HydrophobicContact CB-CZ3 3.59Å; L126-W176 HydrophobicContact CD1-CD2 4.08Å; L126-W176 HydrophobicContact CD1-CE3 4.14Å; L126-W176 HydrophobicContact CD1-CG 4.46Å; L126-W176 HydrophobicContact CD2-CD2 4.38Å; L126-W176 HydrophobicContact CD2-CE3 3.74Å; L126-W176 HydrophobicContact CD2-CZ3 4.22Å; L126-W176 HydrophobicContact CG-CE3 4.15Å; L126-W176 HydrophobicContact CG-CZ3 4.34Å; E156-W176 HydrophobicContact CG-CZ2 4.36Å; E156-W176 WeakPolarHBondContact OE1-CZ2 3.36Å; E156-W176 PolarHBondContact OE1-NE1 2.67Å; E156-W176 VanDerWaalsContact OE1-NE1 3.13Å; C158-W176 HydrophobicContact CB-CZ2 4.06Å; Y160-W176 HydrophobicContact CE2-CB 3.95Å; Y160-W176 HydrophobicContact CE2-CG 4.34Å; I172-W176 PolarHBondContact O-N 2.89Å; T173-W176 PolarHBondContact O-N 2.64Å; W176-Q179 PolarHBondContact O-N 3.42Å; W176-H180 AromaticContact CD2-CE1 3.8Å; W176-H180 AromaticContact CD2-ND1 3.74Å; W176-H180 AromaticContact CE2-CE1 3.28Å; W176-H180 AromaticContact CE2-ND1 3.72Å; W176-H180 AromaticContact CE3-ND1 3.77Å; W176-H180 AromaticContact CH2-CE1 3.68Å; W176-H180 AromaticContact CH2-ND1 3.86Å; W176-H180 AromaticContact CH2-NE2 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.25Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.47Å; W176-H180 AromaticContact CZ2-ND1 3.81Å; W176-H180 AromaticContact CZ2-NE2 3.7Å; W176-H180 AromaticContact CZ3-ND1 3.82Å; W176-H180 AromaticContact NE1-CE1 3.64Å; W176-H180 PolarHBondContact O-N 3.22Å; W176-H180 PolarHBondContact O-ND1 3.45Å |
| 177 | L | 95.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 176.9 | -66 | 170.5 | 0 | 0 | 0 | 111.8 | M21 L23 V93 L126 T173 L174 Q175 Q179 H180 S181 | M21-L177 HydrophobicContact CE-CB 4.36Å; M21-L177 HydrophobicContact CE-CD2 4.46Å; M21-L177 WeakPolarHBondContact CE-O 3.43Å; M21-L177 HydrophobicContact SD-CB 4.22Å; L23-L177 HydrophobicContact CD1-CD1 3.94Å; L23-L177 HydrophobicContact CD1-CD2 3.82Å; L23-L177 HydrophobicContact CD1-CG 4.32Å; L23-L177 HydrophobicContact CD2-CD2 3.86Å; V93-L177 HydrophobicContact CG2-CD2 3.83Å; L126-L177 HydrophobicContact CD2-CD2 3.89Å; L126-L177 HydrophobicContact CD2-CG 4.04Å; T173-L177 HydrophobicContact CG2-CD1 4.29Å; T173-L177 WeakPolarHBondContact O-CG 3.27Å; T173-L177 PolarHBondContact O-N 3.33Å; T173-L177 VanDerWaalsContact O-N 3.12Å; L174-L177 PolarHBondContact O-N 2.88Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-L177 PolarHBondContact O-N 3.47Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.11Å; L177-H180 WeakPolarHBondContact O-CA 3.21Å; L177-H180 WeakPolarHBondContact O-CB 3.36Å; L177-H180 PolarHBondContact O-N 2.97Å; L177-S181 PolarHBondContact O-N 3.04Å |
| 178 | I | 91.8 | Very high | 83.4 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -35.7 | 179.9 | -73.8 | 166.6 | 0 | 0 | 0 | 111.4 | K62 V65 L174 Q175 H180 S181 | K62-I178 HydrophobicContact CB-CD1 4.3Å; V65-I178 HydrophobicContact CB-CG1 4.49Å; V65-I178 HydrophobicContact CG2-CG1 4.27Å; V65-I178 HydrophobicContact CG2-CG2 3.96Å; L174-I178 WeakPolarHBondContact O-CB 3.4Å; L174-I178 WeakPolarHBondContact O-CD1 3.44Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.15Å; Q175-I178 PolarHBondContact O-N 3.2Å; I178-H180 PolarHBondContact O-N 2.58Å; I178-S181 WeakPolarHBondContact O-CB 3.34Å; I178-S181 PolarHBondContact O-N 3.17Å; I178-S181 PolarHBondContact O-OG 3.32Å |
| 179 | Q | 91.5 | Very high | 82.6 | Confident | 137 Ų | 137 | 76.1 Ų | 76.1 | 64% | 0.64 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.1 | -31.6 | 174.4 | -71.8 | 169.8 | 4.8 | 0 | 0 | 112.3 | Q175 W176 L177 | Q175-Q179 VanDerWaalsContact O-CG 3.3Å; Q175-Q179 WeakPolarHBondContact O-CG 3.34Å; Q175-Q179 PolarHBondContact O-N 2.99Å; W176-Q179 PolarHBondContact O-N 3.42Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.11Å |
| 180 | H | 92.8 | Very high | 81.7 | Confident | 19 Ų | 19 | 77.8 Ų | 77.8 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.4 | 177.4 | -71.6 | 83.6 | 0 | 0 | 0 | 114.4 | M21 N90 E156 W176 L177 I178 K182 S183 | M21-H180 HydrophobicContact CE-CB 3.55Å; N90-H180 PolarHBondContact ND2-O 3.26Å; E156-H180 IonicContact OE1-CE1 3.22Å; E156-H180 PolarHBondContact OE1-CE1 3.36Å; E156-H180 IonicContact OE1-NE2 3.72Å; E156-H180 IonicContact OE2-CE1 3.34Å; E156-H180 IonicContact OE2-NE2 3.52Å; E156-H180 PolarHBondContact OE2-NE2 2.87Å; W176-H180 AromaticContact CD2-CE1 3.8Å; W176-H180 AromaticContact CD2-ND1 3.74Å; W176-H180 AromaticContact CE2-CE1 3.28Å; W176-H180 AromaticContact CE2-ND1 3.72Å; W176-H180 AromaticContact CE3-ND1 3.77Å; W176-H180 AromaticContact CH2-CE1 3.68Å; W176-H180 AromaticContact CH2-ND1 3.86Å; W176-H180 AromaticContact CH2-NE2 3.96Å; W176-H180 AromaticContact CZ2-CE1 3.25Å; W176-H180 WeakPolarHBondContact CZ2-CE1 3.47Å; W176-H180 AromaticContact CZ2-ND1 3.81Å; W176-H180 AromaticContact CZ2-NE2 3.7Å; W176-H180 AromaticContact CZ3-ND1 3.82Å; W176-H180 AromaticContact NE1-CE1 3.64Å; W176-H180 PolarHBondContact O-N 3.22Å; W176-H180 PolarHBondContact O-ND1 3.45Å; L177-H180 WeakPolarHBondContact O-CA 3.21Å; L177-H180 WeakPolarHBondContact O-CB 3.36Å; L177-H180 PolarHBondContact O-N 2.97Å; I178-H180 PolarHBondContact O-N 2.58Å; H180-K182 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.41Å; H180-S183 PolarHBondContact O-OG 3.11Å |
| 181 | S | 86.7 | Confident | 80.8 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 4% | 0.042 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -25.2 | 176.2 | 68 | 0 | 0 | 0 | 0 | 113 | E19 L177 I178 | E19-S181 PolarHBondContact OE2-OG 2.83Å; E19-S181 VanDerWaalsContact OE2-OG 3.11Å; L177-S181 PolarHBondContact O-N 3.04Å; I178-S181 WeakPolarHBondContact O-CB 3.34Å; I178-S181 PolarHBondContact O-N 3.17Å; I178-S181 PolarHBondContact O-OG 3.32Å |
| 182 | K | 70.4 | Confident | 79.8 | Confident | 134 Ų | 134 | 80.7 Ų | 80.7 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -82.3 | -17.5 | -176 | -67.7 | -178.1 | 179.1 | 176.5 | 0 | 114.6 | E19 H180 R184 R185 | E19-K182 VanDerWaalsContact OE1-CE 3.24Å; E19-K182 WeakPolarHBondContact OE1-CE 3.45Å; E19-K182 WeakPolarHBondContact OE1-CG 3.26Å; E19-K182 WeakPolarHBondContact OE2-CE 3.24Å; E19-K182 WeakPolarHBondContact OE2-CG 3.44Å; H180-K182 VanDerWaalsContact C-N 3.3Å; H180-K182 PolarHBondContact O-N 3.41Å; K182-R184 PolarHBondContact O-N 3.27Å; K182-R185 PolarHBondContact O-N 3.32Å |
| 183 | S | 58.9 | Low | 78.6 | Confident | 77 Ų | 77 | 82.6 Ų | 82.6 | 54% | 0.538 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -65.9 | -7.4 | -168.6 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | H180 R185 | H180-S183 PolarHBondContact O-OG 3.11Å; S183-R185 PolarHBondContact O-N 2.91Å |
| 184 | R | 52.2 | Low | 77.1 | Confident | 172 Ų | 172 | 88.9 Ų | 88.9 | 65% | 0.649 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -81.9 | 10 | 178.7 | -136.3 | 174.6 | 170 | -175.1 | -1 | 114.9 | K182 S186 | K182-R184 PolarHBondContact O-N 3.27Å; R184-S186 VanDerWaalsContact C-N 3.28Å; R184-S186 PolarHBondContact O-N 2.93Å; R184-S186 VanDerWaalsContact O-N 3.16Å |
| 185 | R | 41.7 | Very low | 75.6 | Confident | 232 Ų | 232 | 94.6 Ų | 94.6 | 88% | 0.875 | 46% | 0.46 | S | S | * | . | trans | -83.7 | 69.1 | 169 | -74.1 | -172.9 | 174.1 | -173.1 | -0.5 | 111 | K182 S183 | K182-R185 PolarHBondContact O-N 3.32Å; S183-R185 PolarHBondContact O-N 2.91Å | ||
| 186 | S | 35.6 | Very low | 73.9 | Confident | 182 Ų | 182 | 93.1 Ų | 93.1 | 100% | 1.273 | 46% | 0.455 | S | S | * | . | trans | -150.4 | 0 | 148.9 | 78.8 | 0 | 0 | 0 | 0 | 109.9 | R184 | R184-S186 VanDerWaalsContact C-N 3.28Å; R184-S186 PolarHBondContact O-N 2.93Å; R184-S186 VanDerWaalsContact O-N 3.16Å |
Retrieved 186 of 186 residues in 59.6 ms
(Link to these results)