| 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 | 53.2 | Low | 65.4 | Low | 185 Ų | 185 | 112.4 Ų | 112.4 | 91% | 0.911 | 56% | 0.558 | S | S | * | * | 0 | -54.6 | 0 | -77.7 | -73.5 | -153.7 | 0 | 0 | 113.4 | I4 R5 | M1-I4 PolarHBondContact O-N 3.22Å; M1-R5 PolarHBondContact O-N 3.14Å | |||
| 2 | R | 61.8 | Low | 66.1 | Low | 194 Ų | 194 | 111.2 Ų | 111.2 | 73% | 0.732 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.5 | -48.7 | -178.7 | -174.5 | 174.7 | 143.1 | -164.5 | -9.2 | 114.1 | I4 R5 E6 | R2-I4 PolarHBondContact O-N 3.22Å; R2-R5 PolarHBondContact O-N 3.03Å; R2-R5 VanDerWaalsContact O-N 3.12Å; R2-E6 WeakPolarHBondContact CG-OE1 3.49Å; R2-E6 IonicContact CZ-OE1 2.92Å; R2-E6 IonicContact NE-OE1 3.42Å; R2-E6 PolarHBondContact NE-OE1 3.01Å; R2-E6 IonicContact NH2-OE1 3.59Å; R2-E6 PolarHBondContact O-N 3.13Å |
| 3 | V | 67.5 | Low | 67 | Low | 89 Ų | 89 | 111.7 Ų | 111.7 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.7 | -35.4 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | E6 K7 | V3-E6 PolarHBondContact O-N 3.25Å; V3-K7 HydrophobicContact CG1-CD 4.35Å; V3-K7 PolarHBondContact O-N 3.25Å; V3-K7 VanDerWaalsContact O-N 3.15Å |
| 4 | I | 65.1 | Low | 67.8 | Low | 28 Ų | 28 | 104.9 Ų | 104.9 | 14% | 0.144 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -67.6 | -41.8 | -180 | -57.7 | 173.7 | 0 | 0 | 0 | 110.8 | M1 R2 E6 V8 L26 A213 | M1-I4 PolarHBondContact O-N 3.22Å; R2-I4 PolarHBondContact O-N 3.22Å; I4-E6 VanDerWaalsContact C-N 3.31Å; I4-E6 PolarHBondContact O-N 3.37Å; I4-V8 HydrophobicContact CG2-CG2 4.44Å; I4-V8 WeakPolarHBondContact O-CB 3.35Å; I4-V8 WeakPolarHBondContact O-CG2 3.49Å; I4-V8 PolarHBondContact O-N 3.3Å; I4-V8 VanDerWaalsContact O-N 3.09Å; I4-L26 HydrophobicContact CB-CD2 4.44Å; I4-L26 HydrophobicContact CG1-CD2 4.12Å; I4-A213 HydrophobicContact CG2-CB 3.17Å |
| 5 | R | 64.6 | Low | 68.7 | Low | 211 Ų | 211 | 101.7 Ų | 101.7 | 80% | 0.796 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.3 | -26.9 | 177.7 | -72.2 | -174.9 | 176.7 | -179.5 | -1.4 | 113.3 | M1 R2 | M1-R5 PolarHBondContact O-N 3.14Å; R2-R5 PolarHBondContact O-N 3.03Å; R2-R5 VanDerWaalsContact O-N 3.12Å |
| 6 | E | 66.3 | Low | 69.3 | Low | 127 Ų | 127 | 95.4 Ų | 95.4 | 59% | 0.593 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -78.8 | -33 | 178.3 | -71.3 | 170.7 | -176.8 | 0 | 0 | 111.9 | R2 V3 I4 | R2-E6 WeakPolarHBondContact CG-OE1 3.49Å; R2-E6 IonicContact CZ-OE1 2.92Å; R2-E6 IonicContact NE-OE1 3.42Å; R2-E6 PolarHBondContact NE-OE1 3.01Å; R2-E6 IonicContact NH2-OE1 3.59Å; R2-E6 PolarHBondContact O-N 3.13Å; V3-E6 PolarHBondContact O-N 3.25Å; I4-E6 VanDerWaalsContact C-N 3.31Å; I4-E6 PolarHBondContact O-N 3.37Å |
| 7 | K | 68 | Low | 70 | Confident | 92 Ų | 92 | 93.8 Ų | 93.8 | 40% | 0.4 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -89.7 | -25.8 | -178.5 | -72.8 | -170.1 | 169.7 | -165.9 | 0 | 114.7 | V3 Y14 E25 L26 | V3-K7 HydrophobicContact CG1-CD 4.35Å; V3-K7 PolarHBondContact O-N 3.25Å; V3-K7 VanDerWaalsContact O-N 3.15Å; K7-Y14 PolarHBondContact O-OH 3.07Å; K7-E25 IonicContact NZ-OE2 3.96Å; K7-E25 PolarHBondContact NZ-OE2 2.94Å; K7-L26 HydrophobicContact CB-CD2 4.36Å; K7-L26 HydrophobicContact CD-CD2 4.16Å |
| 8 | V | 66.4 | Low | 70.6 | Confident | 20 Ų | 20 | 93.8 Ų | 93.8 | 12% | 0.121 | 46% | 0.461 | C | S | . | . | trans | -107 | 111.5 | -175.6 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | I4 A10 L26 A213 V215 | I4-V8 HydrophobicContact CG2-CG2 4.44Å; I4-V8 WeakPolarHBondContact O-CB 3.35Å; I4-V8 WeakPolarHBondContact O-CG2 3.49Å; I4-V8 PolarHBondContact O-N 3.3Å; I4-V8 VanDerWaalsContact O-N 3.09Å; V8-A10 PolarHBondContact O-N 2.97Å; V8-L26 HydrophobicContact CG2-CD1 3.51Å; V8-A213 HydrophobicContact CG2-CB 4.37Å; V8-V215 HydrophobicContact CG1-CG2 4.11Å; V8-V215 HydrophobicContact CG2-CG2 4.29Å | ||
| 9 | D | 71.1 | Confident | 71.2 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 42% | 0.417 | 44% | 0.437 | S | S | . | . | trans | -80.7 | 111.8 | 167.9 | -173.2 | -17.3 | 0 | 0 | 0 | 109 | T11 K12 Y14 | D9-T11 PolarHBondContact O-N 3.19Å; D9-T11 WeakPolarHBondContact OD1-CB 3.24Å; D9-T11 PolarHBondContact OD1-N 3.03Å; D9-T11 PolarHBondContact OD1-OG1 3.46Å; D9-K12 HydrophobicContact CB-CB 3.88Å; D9-K12 PolarHBondContact O-N 3.48Å; D9-Y14 PolarHBondContact N-OH 3.16Å | ||
| 10 | A | 66 | Low | 71.7 | Confident | 88 Ų | 88 | 84.6 Ų | 84.6 | 73% | 0.727 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -66.1 | -16.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V8 | V8-A10 PolarHBondContact O-N 2.97Š|
| 11 | T | 69.8 | Low | 72.2 | Confident | 124 Ų | 124 | 83 Ų | 83 | 76% | 0.761 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -94.7 | -23.6 | -179.5 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | D9 | D9-T11 PolarHBondContact O-N 3.19Å; D9-T11 WeakPolarHBondContact OD1-CB 3.24Å; D9-T11 PolarHBondContact OD1-N 3.03Å; D9-T11 PolarHBondContact OD1-OG1 3.46Å |
| 12 | K | 73.7 | Confident | 73.5 | Confident | 98 Ų | 98 | 75.6 Ų | 75.6 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 136.1 | 178.8 | -165.7 | 179.8 | 178.6 | -162.9 | 0 | 110.6 | D9 Y14 E18 | D9-K12 HydrophobicContact CB-CB 3.88Å; D9-K12 PolarHBondContact O-N 3.48Å; K12-Y14 HydrophobicContact CB-CD2 4.48Å; K12-Y14 HydrophobicContact CB-CE2 4.04Å; K12-Y14 HydrophobicContact CD-CD1 4.44Å; K12-Y14 HydrophobicContact CD-CE1 4.09Å; K12-E18 IonicContact NZ-OE2 3.83Å |
| 13 | Q | 76.9 | Confident | 74.4 | Confident | 118 Ų | 118 | 66.6 Ų | 66.6 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -90.3 | 121.6 | 164 | -60 | -175.1 | 15.8 | 0 | 0 | 107.6 | D218 | Q13-D218 HydrophobicContact CB-CB 3.92Å; Q13-D218 PolarHBondContact OE1-OD1 3.31Å |
| 14 | Y | 78.5 | Confident | 75 | Confident | 17 Ų | 17 | 66 Ų | 66 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -91.5 | 148.6 | -179.6 | -68.2 | -94.9 | 0 | 0 | 0 | 109.8 | K7 D9 K12 E18 L22 V215 A216 V217 D218 | K7-Y14 PolarHBondContact O-OH 3.07Å; D9-Y14 PolarHBondContact N-OH 3.16Å; K12-Y14 HydrophobicContact CB-CD2 4.48Å; K12-Y14 HydrophobicContact CB-CE2 4.04Å; K12-Y14 HydrophobicContact CD-CD1 4.44Å; K12-Y14 HydrophobicContact CD-CE1 4.09Å; Y14-E18 HydrophobicContact CD1-CB 4.34Å; Y14-L22 HydrophobicContact CD1-CD1 3.56Å; Y14-L22 HydrophobicContact CE1-CD1 3.36Å; Y14-L22 HydrophobicContact CG-CD1 4.29Å; Y14-V215 HydrophobicContact CD2-CG1 3.23Å; Y14-V215 HydrophobicContact CE2-CG1 3.85Å; Y14-V215 HydrophobicContact CG-CG1 3.72Å; Y14-A216 PolarHBondContact N-O 3.37Å; Y14-V217 WeakPolarHBondContact O-CA 3.3Å; Y14-D218 PolarHBondContact O-N 3.49Å |
| 15 | D | 82 | Confident | 75.7 | Confident | 57 Ų | 57 | 70 Ų | 70 | 31% | 0.305 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -64 | 154.6 | 164.6 | -177.4 | 37.3 | 0 | 0 | 0 | 109.6 | N17 E18 A19 | D15-N17 PolarHBondContact O-N 2.82Å; D15-N17 PolarHBondContact OD2-ND2 3.34Å; D15-N17 VanDerWaalsContact OD2-ND2 3.12Å; D15-E18 HydrophobicContact CB-CG 4.33Å; D15-E18 PolarHBondContact O-N 2.81Å; D15-A19 VanDerWaalsContact O-CB 3.31Å; D15-A19 WeakPolarHBondContact O-CB 3.43Å; D15-A19 PolarHBondContact O-N 3.44Å |
| 16 | I | 78.6 | Confident | 76.2 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.9 | -42.3 | -178.9 | -62.7 | 160.4 | 0 | 0 | 0 | 111.1 | A19 I20 K179 V217 L222 | I16-A19 PolarHBondContact O-N 3.3Å; I16-I20 HydrophobicContact CG2-CD1 3.48Å; I16-I20 VanDerWaalsContact CG2-CD1 3.48Å; I16-I20 HydrophobicContact CG2-CG1 4.17Å; I16-I20 WeakPolarHBondContact O-CB 3.39Å; I16-I20 VanDerWaalsContact O-CG1 3.24Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 3.16Å; I16-K179 HydrophobicContact CD1-CG 4.26Å; I16-K179 HydrophobicContact CG2-CB 4.12Å; I16-K179 HydrophobicContact CG2-CG 4.12Å; I16-V217 HydrophobicContact CB-CG1 4.4Å; I16-V217 HydrophobicContact CG1-CG1 3.52Å; I16-L222 HydrophobicContact CD1-CD1 3.8Å; I16-L222 HydrophobicContact CD1-CD2 3.47Å; I16-L222 VanDerWaalsContact CD1-CD2 3.47Å; I16-L222 HydrophobicContact CD1-CG 3.33Å; I16-L222 HydrophobicContact CG1-CD1 4.13Å; I16-L222 HydrophobicContact CG1-CG 4.19Å |
| 17 | N | 80 | Confident | 76.5 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | -177.6 | -61 | -46.2 | 0 | 0 | 0 | 110.9 | D15 I20 A21 | D15-N17 PolarHBondContact O-N 2.82Å; D15-N17 PolarHBondContact OD2-ND2 3.34Å; D15-N17 VanDerWaalsContact OD2-ND2 3.12Å; N17-I20 PolarHBondContact O-N 3.47Å; N17-A21 WeakPolarHBondContact O-CB 3.34Å; N17-A21 PolarHBondContact O-N 2.67Å |
| 18 | E | 81.5 | Confident | 76.8 | Confident | 94 Ų | 94 | 56.8 Ų | 56.8 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.5 | -66.4 | -172.7 | 174 | 0 | 0 | 111.2 | K12 Y14 D15 A21 L22 | K12-E18 IonicContact NZ-OE2 3.83Å; Y14-E18 HydrophobicContact CD1-CB 4.34Å; D15-E18 HydrophobicContact CB-CG 4.33Å; D15-E18 PolarHBondContact O-N 2.81Å; E18-A21 PolarHBondContact O-N 3.33Å; E18-L22 WeakPolarHBondContact O-CB 3.12Å; E18-L22 VanDerWaalsContact O-CG 3.27Å; E18-L22 WeakPolarHBondContact O-CG 3.44Å; E18-L22 PolarHBondContact O-N 3.29Å |
| 19 | A | 81.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | D15 I16 L22 L23 V215 V217 | D15-A19 VanDerWaalsContact O-CB 3.31Å; D15-A19 WeakPolarHBondContact O-CB 3.43Å; D15-A19 PolarHBondContact O-N 3.44Å; I16-A19 PolarHBondContact O-N 3.3Å; A19-L22 PolarHBondContact O-N 3.33Å; A19-L23 WeakPolarHBondContact O-CB 3.35Å; A19-L23 WeakPolarHBondContact O-CD1 3.37Å; A19-L23 WeakPolarHBondContact O-CG 3.32Å; A19-L23 PolarHBondContact O-N 2.9Å; A19-V215 HydrophobicContact CB-CG1 4Å; A19-V217 HydrophobicContact CB-CG2 3.71Å |
| 20 | I | 81 | Confident | 77.9 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 178 | -67.1 | 165.2 | 0 | 0 | 0 | 110.9 | I16 N17 L22 L23 K24 A175 L178 K179 | I16-I20 HydrophobicContact CG2-CD1 3.48Å; I16-I20 VanDerWaalsContact CG2-CD1 3.48Å; I16-I20 HydrophobicContact CG2-CG1 4.17Å; I16-I20 WeakPolarHBondContact O-CB 3.39Å; I16-I20 VanDerWaalsContact O-CG1 3.24Å; I16-I20 WeakPolarHBondContact O-CG1 3.49Å; I16-I20 PolarHBondContact O-N 3.16Å; N17-I20 PolarHBondContact O-N 3.47Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 2.94Å; I20-L23 PolarHBondContact O-N 3.01Å; I20-K24 WeakPolarHBondContact O-CG 3.22Å; I20-K24 PolarHBondContact O-N 2.91Å; I20-A175 WeakPolarHBondContact CD1-O 3.2Å; I20-A175 HydrophobicContact CG2-CB 3.84Å; I20-L178 HydrophobicContact CD1-CB 3.8Å; I20-L178 HydrophobicContact CG1-CB 4.39Å; I20-L178 HydrophobicContact CG2-CD1 3.82Å; I20-K179 HydrophobicContact CD1-CB 4.41Å |
| 21 | A | 82.4 | Confident | 78.8 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N17 E18 L23 K24 E25 | N17-A21 WeakPolarHBondContact O-CB 3.34Å; N17-A21 PolarHBondContact O-N 2.67Å; E18-A21 PolarHBondContact O-N 3.33Å; A21-L23 PolarHBondContact O-N 2.82Å; A21-K24 PolarHBondContact O-N 3.28Å; A21-E25 PolarHBondContact O-N 3.23Å; A21-E25 VanDerWaalsContact O-N 3.08Å |
| 22 | L | 81 | Confident | 79.5 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 175.1 | -72.6 | 170.1 | 0 | 0 | 0 | 111.9 | Y14 E18 A19 I20 K24 E25 L26 | Y14-L22 HydrophobicContact CD1-CD1 3.56Å; Y14-L22 HydrophobicContact CE1-CD1 3.36Å; Y14-L22 HydrophobicContact CG-CD1 4.29Å; E18-L22 WeakPolarHBondContact O-CB 3.12Å; E18-L22 VanDerWaalsContact O-CG 3.27Å; E18-L22 WeakPolarHBondContact O-CG 3.44Å; E18-L22 PolarHBondContact O-N 3.29Å; A19-L22 PolarHBondContact O-N 3.33Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 2.94Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.46Å; L22-E25 PolarHBondContact O-N 3.39Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 WeakPolarHBondContact O-CD1 3.49Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.34Å |
| 23 | L | 80.7 | Confident | 80.1 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -39 | 178.9 | -71.7 | 166 | 0 | 0 | 0 | 112 | A19 I20 A21 L26 A27 I207 T209 V215 | A19-L23 WeakPolarHBondContact O-CB 3.35Å; A19-L23 WeakPolarHBondContact O-CD1 3.37Å; A19-L23 WeakPolarHBondContact O-CG 3.32Å; A19-L23 PolarHBondContact O-N 2.9Å; I20-L23 PolarHBondContact O-N 3.01Å; A21-L23 PolarHBondContact O-N 2.82Å; L23-L26 PolarHBondContact O-N 3.25Å; L23-A27 WeakPolarHBondContact O-CB 3.44Å; L23-A27 PolarHBondContact O-N 2.74Å; L23-A27 VanDerWaalsContact O-N 3.08Å; L23-I207 HydrophobicContact CD1-CB 3.82Å; L23-I207 HydrophobicContact CD1-CG2 3.33Å; L23-T209 HydrophobicContact CB-CG2 3.83Å; L23-T209 HydrophobicContact CD2-CG2 3.72Å; L23-T209 HydrophobicContact CG-CG2 4.33Å; L23-V215 HydrophobicContact CD2-CG2 4.23Å |
| 24 | K | 79 | Confident | 80.6 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 174.4 | -73.7 | -172.4 | 175.2 | -161.3 | 0 | 112.3 | I20 A21 L22 V171 F173 | I20-K24 WeakPolarHBondContact O-CG 3.22Å; I20-K24 PolarHBondContact O-N 2.91Å; A21-K24 PolarHBondContact O-N 3.28Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.46Å; K24-V171 HydrophobicContact CB-CG1 4.47Å; K24-V171 VanDerWaalsContact CE-O 3.3Å; K24-V171 WeakPolarHBondContact CE-O 3.45Å; K24-V171 HydrophobicContact CG-CG1 4.07Å; K24-F173 WeakPolarHBondContact CE-O 3.44Å; K24-F173 PolarHBondContact NZ-O 3.05Å |
| 25 | E | 79.6 | Confident | 81.1 | Confident | 112 Ų | 112 | 53.2 Ų | 53.2 | 52% | 0.523 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.5 | -32.5 | 175.2 | -71.8 | -172.8 | -169.9 | 0 | 0 | 113.5 | K7 A21 L22 | K7-E25 IonicContact NZ-OE2 3.96Å; K7-E25 PolarHBondContact NZ-OE2 2.94Å; A21-E25 PolarHBondContact O-N 3.23Å; A21-E25 VanDerWaalsContact O-N 3.08Å; L22-E25 PolarHBondContact O-N 3.39Å |
| 26 | L | 76.2 | Confident | 81.5 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -83.5 | -17.8 | -176.5 | -66.6 | 171 | 0 | 0 | 0 | 112.9 | I4 K7 V8 L22 L23 T28 | I4-L26 HydrophobicContact CB-CD2 4.44Å; I4-L26 HydrophobicContact CG1-CD2 4.12Å; K7-L26 HydrophobicContact CB-CD2 4.36Å; K7-L26 HydrophobicContact CD-CD2 4.16Å; V8-L26 HydrophobicContact CG2-CD1 3.51Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 WeakPolarHBondContact O-CD1 3.49Å; L22-L26 WeakPolarHBondContact O-CG 3.36Å; L22-L26 PolarHBondContact O-N 3.34Å; L23-L26 PolarHBondContact O-N 3.25Å; L26-T28 VanDerWaalsContact C-N 3.27Å; L26-T28 PolarHBondContact O-N 3.16Å; L26-T28 PolarHBondContact O-OG1 2.95Å |
| 27 | A | 73.3 | Confident | 82 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 21% | 0.207 | 28% | 0.278 | C | S | . | . | trans | -72.3 | 80.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L23 E33 V171 T209 | L23-A27 WeakPolarHBondContact O-CB 3.44Å; L23-A27 PolarHBondContact O-N 2.74Å; L23-A27 VanDerWaalsContact O-N 3.08Å; A27-E33 WeakPolarHBondContact CA-OE1 3.26Å; A27-V171 HydrophobicContact CB-CB 4.29Å; A27-V171 HydrophobicContact CB-CG1 3.62Å; A27-V171 HydrophobicContact CB-CG2 3.94Å; A27-T209 HydrophobicContact CB-CG2 4.49Å | ||
| 28 | T | 73 | Confident | 82.5 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 75% | 0.748 | 27% | 0.271 | S | S | * | . | trans | -96.4 | 2.4 | -177.4 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | L26 | L26-T28 VanDerWaalsContact C-N 3.27Å; L26-T28 PolarHBondContact O-N 3.16Å; L26-T28 PolarHBondContact O-OG1 2.95Å | ||
| 29 | A | 79.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -69.8 | 152.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F31 E33 | A29-F31 HydrophobicContact CB-CD1 3.93Å; A29-F31 HydrophobicContact CB-CE1 3.71Å; A29-F31 HydrophobicContact CB-CZ 4.12Å; A29-F31 PolarHBondContact O-N 3.42Å; A29-E33 HydrophobicContact CB-CG 3.81Å; A29-E33 WeakPolarHBondContact CB-OE1 3.28Å; A29-E33 PolarHBondContact N-OE1 3.21Å |
| 30 | K | 81.1 | Confident | 83.2 | Confident | 225 Ų | 225 | 48.6 Ų | 48.6 | 98% | 0.978 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -69.6 | -15.2 | 178.4 | -64 | -176.6 | 179.2 | -178 | 0 | 113.8 | ||
| 31 | F | 85.8 | Confident | 83.5 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -109.4 | 158.5 | 179.8 | 64.4 | -91.2 | 0 | 0 | 0 | 109.9 | A29 E33 M211 | A29-F31 HydrophobicContact CB-CD1 3.93Å; A29-F31 HydrophobicContact CB-CE1 3.71Å; A29-F31 HydrophobicContact CB-CZ 4.12Å; A29-F31 PolarHBondContact O-N 3.42Å; F31-E33 HydrophobicContact CD2-CG 4.4Å; F31-E33 HydrophobicContact CE2-CG 3.92Å; F31-E33 HydrophobicContact CZ-CG 4.28Å; F31-E33 PolarHBondContact O-N 3.47Å; F31-M211 HydrophobicContact CE1-CG 4.46Å; F31-M211 HydrophobicContact CZ-CG 3.93Å |
| 32 | V | 84.2 | Confident | 83.6 | Confident | 77 Ų | 77 | 46.7 Ų | 46.7 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | trans | -68.5 | 103.6 | 176 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | K170 D172 | V32-K170 HydrophobicContact CG1-CB 3.82Å; V32-K170 HydrophobicContact CG1-CD 3.94Å; V32-K170 HydrophobicContact CG1-CG 4.1Å; V32-D172 HydrophobicContact CG1-CB 4.03Å | ||
| 33 | E | 85.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | trans | -64.8 | 149.4 | 179.1 | -65.8 | -174.3 | -146.8 | 0 | 0 | 111.2 | A27 A29 F31 K170 V171 T209 M211 | A27-E33 WeakPolarHBondContact CA-OE1 3.26Å; A29-E33 HydrophobicContact CB-CG 3.81Å; A29-E33 WeakPolarHBondContact CB-OE1 3.28Å; A29-E33 PolarHBondContact N-OE1 3.21Å; F31-E33 HydrophobicContact CD2-CG 4.4Å; F31-E33 HydrophobicContact CE2-CG 3.92Å; F31-E33 HydrophobicContact CZ-CG 4.28Å; F31-E33 PolarHBondContact O-N 3.47Å; E33-K170 WeakPolarHBondContact O-CA 3.21Å; E33-V171 HydrophobicContact CB-CG2 3.75Å; E33-V171 WeakPolarHBondContact O-CG2 3.43Å; E33-V171 PolarHBondContact O-N 3.23Å; E33-T209 WeakPolarHBondContact OE2-CB 3.29Å; E33-T209 PolarHBondContact OE2-OG1 2.76Å; E33-M211 PolarHBondContact OE2-N 2.93Å; E33-M211 VanDerWaalsContact OE2-N 3.09Å | ||
| 34 | S | 88.1 | Confident | 83.9 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 146.7 | 170.2 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | R64 T209 T210 | S34-R64 PolarHBondContact OG-NH2 3.27Å; S34-T209 WeakPolarHBondContact O-CA 3.42Å; S34-T210 PolarHBondContact N-OG1 2.89Å; S34-T210 PolarHBondContact O-N 3.35Å; S34-T210 PolarHBondContact O-OG1 3.41Å |
| 35 | V | 89 | Confident | 84 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111.3 | 173.3 | -177 | 0 | 0 | 0 | 0 | 107.7 | I168 G169 V171 L178 I207 | V35-I168 HydrophobicContact CB-CG1 4.16Å; V35-I168 HydrophobicContact CG1-CD1 3.91Å; V35-I168 HydrophobicContact CG1-CG1 3.84Å; V35-I168 WeakPolarHBondContact O-CG1 3.39Å; V35-I168 PolarHBondContact O-N 3.36Å; V35-G169 PolarHBondContact N-O 2.8Å; V35-V171 HydrophobicContact CG2-CG2 3.74Å; V35-L178 HydrophobicContact CB-CD2 4.37Å; V35-L178 HydrophobicContact CG2-CD1 4.3Å; V35-L178 HydrophobicContact CG2-CD2 4.39Å; V35-I207 HydrophobicContact CG1-CG2 3.41Å; V35-I207 VanDerWaalsContact CG1-CG2 3.41Å |
| 36 | D | 89.9 | Confident | 84.1 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 144.5 | -179.1 | -64.2 | -43.3 | 0 | 0 | 0 | 110.4 | T167 I207 S208 | D36-T167 WeakPolarHBondContact OD1-CA 3.07Å; D36-T167 VanDerWaalsContact OD1-CB 3.27Å; D36-T167 WeakPolarHBondContact OD1-CB 3.3Å; D36-T167 WeakPolarHBondContact OD1-CG2 3.42Å; D36-T167 PolarHBondContact OD1-OG1 3.12Å; D36-I207 CarbonylContact O-C 3.58Å; D36-I207 WeakPolarHBondContact O-CA 3.49Å; D36-S208 PolarHBondContact N-O 3.17Å; D36-S208 PolarHBondContact O-N 3.12Å; D36-S208 VanDerWaalsContact O-O 3.11Å |
| 37 | V | 90.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.2 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | V39 H165 T166 I168 L182 V205 S206 I207 | V37-V39 HydrophobicContact CG1-CG2 3.74Å; V37-H165 WeakPolarHBondContact O-CA 3.38Å; V37-T166 PolarHBondContact N-O 2.75Å; V37-T166 PolarHBondContact O-N 2.85Å; V37-T166 PolarHBondContact O-OG1 2.73Å; V37-I168 HydrophobicContact CB-CG2 4.31Å; V37-I168 HydrophobicContact CG2-CB 4.22Å; V37-I168 HydrophobicContact CG2-CD1 3.58Å; V37-I168 HydrophobicContact CG2-CG1 3.73Å; V37-I168 HydrophobicContact CG2-CG2 3.51Å; V37-L182 HydrophobicContact CG2-CD1 4.2Å; V37-V205 HydrophobicContact CG1-CG1 3.89Å; V37-S206 CarbonylContact C-O 3.58Å; V37-S206 WeakPolarHBondContact CA-O 3.49Å; V37-I207 HydrophobicContact CG2-CG1 4.21Å; V37-I207 HydrophobicContact CG2-CG2 4.3Å |
| 38 | A | 90.5 | Very high | 84.7 | Confident | 26 Ų | 26 | 60 Ų | 60 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I163 I164 S206 | A38-I163 HydrophobicContact CB-CG2 4.13Å; A38-I164 CarbonylContact C-O 3.52Å; A38-I164 WeakPolarHBondContact CA-O 3.31Å; A38-S206 PolarHBondContact N-O 2.89Å; A38-S206 PolarHBondContact O-N 2.86Å |
| 39 | V | 89.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.9 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | V37 L41 I163 I164 L185 L186 L189 I202 V205 | V37-V39 HydrophobicContact CG1-CG2 3.74Å; V39-L41 HydrophobicContact CG1-CD2 3.94Å; V39-L41 PolarHBondContact O-N 2.89Å; V39-I163 WeakPolarHBondContact O-CA 3.27Å; V39-I164 HydrophobicContact CB-CB 4.47Å; V39-I164 PolarHBondContact N-O 2.84Å; V39-I164 PolarHBondContact O-N 2.86Å; V39-L185 HydrophobicContact CG2-CD2 4.19Å; V39-L186 HydrophobicContact CG2-CD2 4.37Å; V39-L189 HydrophobicContact CB-CD1 4.03Å; V39-L189 HydrophobicContact CG1-CD1 3.88Å; V39-L189 HydrophobicContact CG2-CD1 3.94Å; V39-I202 HydrophobicContact CG1-CG2 3.77Å; V39-V205 HydrophobicContact CG1-CG2 4.35Å; V39-V205 HydrophobicContact CG2-CG1 4.5Å |
| 40 | N | 88.5 | Confident | 85.3 | Confident | 53 Ų | 53 | 56.8 Ų | 56.8 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 113.7 | 174.9 | -175.2 | -7.2 | 0 | 0 | 0 | 109.5 | I163 K203 K204 | N40-I163 HydrophobicContact CB-CG1 4.49Å; N40-K203 HydrophobicContact CB-CB 4.4Å; N40-K203 PolarHBondContact O-N 3.36Å; N40-K204 HydrophobicContact CB-CB 4.17Å; N40-K204 PolarHBondContact N-O 2.87Å |
| 41 | L | 86.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 147.8 | 179.2 | -59.2 | -179.6 | 0 | 0 | 0 | 112.5 | V39 I43 V52 G162 I164 Y201 I202 | V39-L41 HydrophobicContact CG1-CD2 3.94Å; V39-L41 PolarHBondContact O-N 2.89Å; L41-I43 HydrophobicContact CB-CD1 4.11Å; L41-I43 HydrophobicContact CB-CG1 3.89Å; L41-I43 HydrophobicContact CB-CG2 4.36Å; L41-I43 HydrophobicContact CD1-CD1 3.84Å; L41-I43 PolarHBondContact O-N 2.87Å; L41-V52 HydrophobicContact CD1-CB 4.05Å; L41-V52 HydrophobicContact CD1-CG1 4.3Å; L41-V52 HydrophobicContact CD1-CG2 3.93Å; L41-G162 WeakPolarHBondContact CA-O 3.47Å; L41-G162 WeakPolarHBondContact CB-O 3.47Å; L41-G162 PolarHBondContact N-O 3.32Å; L41-I164 HydrophobicContact CD1-CD1 3.38Å; L41-I164 HydrophobicContact CD1-CG1 3.93Å; L41-I164 HydrophobicContact CG-CD1 4.17Å; L41-I164 HydrophobicContact CG-CG1 4.46Å; L41-Y201 CarbonylContact C-O 3.49Å; L41-Y201 WeakPolarHBondContact CA-O 3.42Å; L41-Y201 HydrophobicContact CD1-CE2 4.25Å; L41-Y201 HydrophobicContact CD2-CD1 4.34Å; L41-Y201 HydrophobicContact CD2-CE1 3.9Å; L41-Y201 HydrophobicContact CD2-CE2 4.25Å; L41-I202 HydrophobicContact CD2-CG1 4.31Å |
| 42 | G | 85.5 | Confident | 85.2 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -81.1 | 46 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | V200 Y201 | G42-V200 WeakPolarHBondContact CA-O 3.34Å; G42-Y201 PolarHBondContact N-O 3.25Å |
| 43 | I | 84.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -114.1 | 152.7 | 179.6 | 62.5 | 179.6 | 0 | 0 | 0 | 111.1 | L41 A45 Q50 V52 N158 A197 Y201 | L41-I43 HydrophobicContact CB-CD1 4.11Å; L41-I43 HydrophobicContact CB-CG1 3.89Å; L41-I43 HydrophobicContact CB-CG2 4.36Å; L41-I43 HydrophobicContact CD1-CD1 3.84Å; L41-I43 PolarHBondContact O-N 2.87Å; I43-A45 PolarHBondContact O-N 3.2Å; I43-Q50 HydrophobicContact CB-CB 4.23Å; I43-Q50 WeakPolarHBondContact CD1-O 3.37Å; I43-V52 HydrophobicContact CD1-CB 4.35Å; I43-V52 HydrophobicContact CD1-CG2 3.87Å; I43-V52 HydrophobicContact CG2-CG2 4.45Å; I43-N158 HydrophobicContact CD1-CB 3.81Å; I43-N158 WeakPolarHBondContact CD1-ND2 3.32Å; I43-A197 HydrophobicContact CG2-CB 4.08Å; I43-Y201 HydrophobicContact CG2-CD2 4.17Å; I43-Y201 HydrophobicContact CG2-CE2 3.86Å |
| 44 | D | 83.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | trans | -88.5 | 96.9 | 167.7 | -174.5 | -4.5 | 0 | 0 | 0 | 109.2 | R46 K47 | D44-R46 PolarHBondContact O-N 2.93Å; D44-R46 WeakPolarHBondContact OD1-CB 3.49Å; D44-R46 PolarHBondContact OD1-N 3.31Å; D44-K47 HydrophobicContact CB-CB 4.47Å; D44-K47 HydrophobicContact CB-CD 4.31Å; D44-K47 HydrophobicContact CB-CG 4.31Å; D44-K47 WeakPolarHBondContact O-CB 3.39Å; D44-K47 PolarHBondContact O-N 3.5Å; D44-K47 WeakPolarHBondContact OD2-CE 3.39Å | ||
| 45 | A | 80.7 | Confident | 84.9 | Confident | 18 Ų | 18 | 45.6 Ų | 45.6 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -7.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | I43 K47 N51 D159 K160 | I43-A45 PolarHBondContact O-N 3.2Å; A45-K47 VanDerWaalsContact C-N 3.34Å; A45-N51 PolarHBondContact O-OD1 3.45Å; A45-D159 VanDerWaalsContact CB-O 3.26Å; A45-D159 WeakPolarHBondContact CB-O 3.19Å; A45-K160 WeakPolarHBondContact CB-O 3.21Å |
| 46 | R | 81.2 | Confident | 84.7 | Confident | 232 Ų | 232 | 45.9 Ų | 45.9 | 88% | 0.875 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -24.7 | 171.8 | -60.3 | -179.9 | 179.5 | -177.6 | 0.4 | 111.9 | D44 | D44-R46 PolarHBondContact O-N 2.93Å; D44-R46 WeakPolarHBondContact OD1-CB 3.49Å; D44-R46 PolarHBondContact OD1-N 3.31Å |
| 47 | K | 82.9 | Confident | 84.5 | Confident | 100 Ų | 100 | 46.8 Ų | 46.8 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -88.6 | 116.5 | -179.3 | -71.8 | -170.5 | -176.2 | -175.3 | 0 | 109.9 | D44 A45 D49 Q50 N51 | D44-K47 HydrophobicContact CB-CB 4.47Å; D44-K47 HydrophobicContact CB-CD 4.31Å; D44-K47 HydrophobicContact CB-CG 4.31Å; D44-K47 WeakPolarHBondContact O-CB 3.39Å; D44-K47 PolarHBondContact O-N 3.5Å; D44-K47 WeakPolarHBondContact OD2-CE 3.39Å; A45-K47 VanDerWaalsContact C-N 3.34Å; K47-D49 WeakPolarHBondContact CB-OD1 3.48Å; K47-D49 PolarHBondContact O-N 3.31Å; K47-Q50 HydrophobicContact CB-CB 4.22Å; K47-Q50 HydrophobicContact CB-CG 4.01Å; K47-Q50 PolarHBondContact O-N 2.88Å; K47-N51 PolarHBondContact O-N 3.5Å |
| 48 | S | 79.1 | Confident | 84.3 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 72% | 0.72 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -63.8 | -26.7 | -175.5 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | Q50 N51 | S48-Q50 VanDerWaalsContact C-N 3.32Å; S48-N51 PolarHBondContact O-N 2.93Å |
| 49 | D | 82.1 | Confident | 84 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -73.7 | -20 | 174.3 | 59.7 | -63.7 | 0 | 0 | 0 | 113.5 | K47 Q196 | K47-D49 WeakPolarHBondContact CB-OD1 3.48Å; K47-D49 PolarHBondContact O-N 3.31Å; D49-Q196 PolarHBondContact OD2-NE2 3.35Å; D49-Q196 PolarHBondContact OD2-OE1 3.05Å |
| 50 | Q | 82.2 | Confident | 83.9 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -98.5 | -0.1 | 175.8 | -57.2 | -165.2 | 3.3 | 0 | 0 | 113 | I43 K47 S48 V52 Q196 | I43-Q50 HydrophobicContact CB-CB 4.23Å; I43-Q50 WeakPolarHBondContact CD1-O 3.37Å; K47-Q50 HydrophobicContact CB-CB 4.22Å; K47-Q50 HydrophobicContact CB-CG 4.01Å; K47-Q50 PolarHBondContact O-N 2.88Å; S48-Q50 VanDerWaalsContact C-N 3.32Å; Q50-V52 PolarHBondContact O-N 3.04Å; Q50-Q196 HydrophobicContact CG-CB 4.24Å; Q50-Q196 PolarHBondContact NE2-O 2.92Å |
| 51 | N | 82.9 | Confident | 83.6 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | trans | -69.9 | 121.6 | 177.9 | -81.9 | -23.7 | 0 | 0 | 0 | 111.4 | A45 K47 S48 N158 | A45-N51 PolarHBondContact O-OD1 3.45Å; K47-N51 PolarHBondContact O-N 3.5Å; S48-N51 PolarHBondContact O-N 2.93Å; N51-N158 PolarHBondContact OD1-ND2 2.92Å | ||
| 52 | V | 83 | Confident | 83.3 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | trans | -94.3 | 113.2 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | L41 I43 Q50 Y156 N158 I164 A192 P194 Y201 | L41-V52 HydrophobicContact CD1-CB 4.05Å; L41-V52 HydrophobicContact CD1-CG1 4.3Å; L41-V52 HydrophobicContact CD1-CG2 3.93Å; I43-V52 HydrophobicContact CD1-CB 4.35Å; I43-V52 HydrophobicContact CD1-CG2 3.87Å; I43-V52 HydrophobicContact CG2-CG2 4.45Å; Q50-V52 PolarHBondContact O-N 3.04Å; V52-Y156 HydrophobicContact CG1-CD2 4.08Å; V52-Y156 HydrophobicContact CG1-CE2 3.76Å; V52-N158 PolarHBondContact N-OD1 3.26Å; V52-N158 PolarHBondContact O-N 3.12Å; V52-N158 VanDerWaalsContact O-N 3.11Å; V52-N158 PolarHBondContact O-OD1 3.14Å; V52-N158 VanDerWaalsContact O-OD1 3.12Å; V52-I164 HydrophobicContact CB-CD1 4.37Å; V52-I164 HydrophobicContact CG1-CD1 3.93Å; V52-A192 HydrophobicContact CG1-CB 4.17Å; V52-P194 HydrophobicContact CG2-CG 3.63Å; V52-Y201 HydrophobicContact CG2-CE2 4.25Å; V52-Y201 WeakPolarHBondContact CG2-OH 3.41Å | ||
| 53 | R | 82.5 | Confident | 82.9 | Confident | 91 Ų | 91 | 51.9 Ų | 51.9 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.4 | 173.2 | -175.9 | 176.6 | -178.3 | 166.6 | 0.9 | 108.9 | N132 V135 Y156 | R53-N132 PolarHBondContact NH1-ND2 3.32Å; R53-V135 HydrophobicContact CG-CG1 3.93Å; R53-Y156 WeakPolarHBondContact CA-O 3.45Å |
| 54 | G | 84.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | -174.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y156 | G54-Y156 PolarHBondContact N-O 3.24Å; G54-Y156 VanDerWaalsContact N-O 3.13Å; G54-Y156 WeakPolarHBondContact O-CD1 3.4Å; G54-Y156 PolarHBondContact O-N 3.4Å |
| 55 | A | 84.7 | Confident | 82.4 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 24% | 0.24 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V135 Q153 V154 R155 | A55-V135 HydrophobicContact CB-CB 4.29Å; A55-Q153 HydrophobicContact CB-CG 3.86Å; A55-V154 VanDerWaalsContact CA-O 3.27Å; A55-V154 WeakPolarHBondContact CA-O 3.4Å; A55-R155 HydrophobicContact CB-CG 4.35Å |
| 56 | T | 84.9 | Confident | 82.5 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.7 | 171.6 | 103.8 | 0 | 0 | 0 | 0 | 107.8 | Q153 V154 Y156 A188 | T56-Q153 CarbonylContact O-C 3.59Å; T56-Q153 VanDerWaalsContact O-CA 3.23Å; T56-Q153 WeakPolarHBondContact O-CA 3.45Å; T56-Q153 WeakPolarHBondContact O-CG 3.37Å; T56-V154 PolarHBondContact N-O 3.45Å; T56-V154 PolarHBondContact O-N 3.36Å; T56-Y156 HydrophobicContact CG2-CD1 3.81Å; T56-Y156 HydrophobicContact CG2-CE1 3.3Å; T56-A188 HydrophobicContact CG2-CB 3.32Å |
| 57 | V | 84.9 | Confident | 82.8 | Confident | 62 Ų | 62 | 53.8 Ų | 53.8 | 38% | 0.376 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126 | 164.6 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | N148 A151 Q153 | V57-N148 HydrophobicContact CG2-CB 4.08Å; V57-A151 HydrophobicContact CG1-CB 4.02Å; V57-Q153 HydrophobicContact CG2-CB 4.21Å; V57-Q153 HydrophobicContact CG2-CG 4.24Å |
| 58 | L | 85.9 | Confident | 83 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | trans | -82.2 | 132.1 | 174.1 | -65.7 | -178.9 | 0 | 0 | 0 | 109.3 | H60 G61 T62 V154 N181 L185 | L58-H60 VanDerWaalsContact C-N 3.26Å; L58-H60 PolarHBondContact O-N 3.26Å; L58-G61 PolarHBondContact O-N 3.5Å; L58-G61 VanDerWaalsContact O-N 3.11Å; L58-T62 HydrophobicContact CD1-CG2 3.87Å; L58-V154 HydrophobicContact CD1-CG2 3.51Å; L58-V154 HydrophobicContact CG-CG2 3.89Å; L58-N181 HydrophobicContact CD1-CB 4.48Å; L58-N181 HydrophobicContact CD2-CB 4.13Å; L58-N181 WeakPolarHBondContact CD2-O 3.05Å; L58-L185 HydrophobicContact CD2-CB 4.48Å | ||
| 59 | P | 84.6 | Confident | 83.4 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.7 | -176.2 | 20.7 | -31.4 | 0 | 0 | 0 | 113.3 | E180 N181 A184 | P59-E180 HydrophobicContact CG-CB 4.43Å; P59-N181 WeakPolarHBondContact CD-OD1 3.31Å; P59-N181 VanDerWaalsContact CG-OD1 3.32Å; P59-N181 WeakPolarHBondContact CG-OD1 3.37Å; P59-A184 HydrophobicContact CG-CB 4.33Å |
| 60 | H | 87.2 | Confident | 83.7 | Confident | 64 Ų | 64 | 40.8 Ų | 40.8 | 30% | 0.296 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 7.4 | 179.7 | -56.9 | -68.8 | 0 | 0 | 0 | 113.5 | L58 F173 K177 E180 N181 | L58-H60 VanDerWaalsContact C-N 3.26Å; L58-H60 PolarHBondContact O-N 3.26Å; H60-F173 HydrophobicContact CB-CE2 4.37Å; H60-F173 WeakPolarHBondContact O-CE2 3.09Å; H60-K177 HydrophobicContact CB-CB 4.11Å; H60-K177 HydrophobicContact CB-CG 4.38Å; H60-K177 PolarHBondContact CD2-O 3.29Å; H60-E180 IonicContact CD2-OE2 2.75Å; H60-E180 IonicContact CE1-OE2 2.73Å; H60-E180 PolarHBondContact CE1-OE2 3.08Å; H60-E180 IonicContact NE2-OE2 2.93Å; H60-E180 PolarHBondContact NE2-OE2 3.5Å; H60-N181 PolarHBondContact CD2-OD1 3.23Å; H60-N181 PolarHBondContact N-OD1 3.05Å |
| 61 | G | 83.2 | Confident | 84 | Confident | 10 Ų | 10 | 40 Ų | 40 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | trans | 62.8 | -171.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | L58 A151 N181 | L58-G61 PolarHBondContact O-N 3.5Å; L58-G61 VanDerWaalsContact O-N 3.11Å; G61-A151 VanDerWaalsContact CA-O 3.31Å; G61-A151 WeakPolarHBondContact CA-O 3.46Å; G61-N181 PolarHBondContact O-ND2 2.89Å; G61-N181 VanDerWaalsContact O-ND2 3.14Å | ||
| 62 | T | 80.6 | Confident | 84.1 | Confident | 15 Ų | 15 | 36.9 Ų | 36.9 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | trans | -102.2 | -6.8 | -179.1 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | L58 R64 V154 | L58-T62 HydrophobicContact CD1-CG2 3.87Å; T62-R64 PolarHBondContact O-N 2.91Å; T62-V154 HydrophobicContact CG2-CG2 3.59Å | ||
| 63 | G | 76.7 | Confident | 84 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 69.7 | 7.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | K170 | G63-K170 WeakPolarHBondContact O-CE 3.34Å; G63-K170 PolarHBondContact O-NZ 3.17Å |
| 64 | R | 77.1 | Confident | 84.1 | Confident | 128 Ų | 128 | 40.2 Ų | 40.2 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | trans | -97.4 | 137.1 | 174.7 | -65.4 | -173.3 | -179.6 | 175.4 | 3.3 | 110.3 | S34 T62 V66 | S34-R64 PolarHBondContact OG-NH2 3.27Å; T62-R64 PolarHBondContact O-N 2.91Å; R64-V66 PolarHBondContact O-N 2.81Å | ||
| 65 | S | 79.6 | Confident | 84.1 | Confident | 113 Ų | 113 | 43.5 Ų | 43.5 | 79% | 0.79 | 27% | 0.266 | S | S | * | . | trans | -75.3 | 104.5 | 168.6 | 52.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 66 | V | 83.2 | Confident | 84 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | trans | -91.6 | 121.7 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 109 | R64 V68 D105 V106 | R64-V66 PolarHBondContact O-N 2.81Å; V66-V68 HydrophobicContact CG1-CG2 4.29Å; V66-D105 HydrophobicContact CG1-CB 4.08Å; V66-V106 HydrophobicContact CG1-CB 3.89Å; V66-V106 HydrophobicContact CG1-CG2 3.52Å | ||
| 67 | R | 86.8 | Confident | 83.9 | Confident | 97 Ų | 97 | 45.3 Ų | 45.3 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | trans | -86.4 | 124 | 172.8 | -65.3 | 170.8 | -64.2 | 170.6 | 4.9 | 109.8 | E86 N103 D105 V106 | R67-E86 WeakPolarHBondContact CA-OE2 3.4Å; R67-E86 HydrophobicContact CB-CG 4.44Å; R67-E86 HydrophobicContact CG-CG 4.34Å; R67-N103 WeakPolarHBondContact CD-O 3.33Å; R67-N103 PolarHBondContact NE-O 3.48Å; R67-N103 PolarHBondContact NH1-O 3.22Å; R67-D105 WeakPolarHBondContact CB-OD2 3.5Å; R67-D105 PolarHBondContact N-OD2 3.23Å; R67-D105 IonicContact NE-OD2 2.76Å; R67-D105 PolarHBondContact NE-OD2 3.4Å; R67-D105 IonicContact NH2-OD1 3.61Å; R67-D105 PolarHBondContact NH2-OD1 3.41Å; R67-D105 IonicContact NH2-OD2 3.78Å; R67-D105 PolarHBondContact O-N 2.93Å; R67-V106 PolarHBondContact O-N 3.13Å; R67-V106 VanDerWaalsContact O-N 3.08Å | ||
| 68 | V | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.1 | -173.6 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | V66 V70 E86 L87 V106 I108 V146 A149 K150 | V66-V68 HydrophobicContact CG1-CG2 4.29Å; V68-V70 HydrophobicContact CG1-CG2 3.92Å; V68-E86 PolarHBondContact N-OE2 3.47Å; V68-E86 PolarHBondContact O-N 3.12Å; V68-L87 PolarHBondContact O-N 2.89Å; V68-V106 CarbonylContact C-O 3.6Å; V68-V106 WeakPolarHBondContact CA-O 3.46Å; V68-V106 HydrophobicContact CG1-CG1 4.27Å; V68-V106 HydrophobicContact CG2-CB 4.34Å; V68-V106 HydrophobicContact CG2-CG1 4.3Å; V68-I108 HydrophobicContact CG1-CD1 3.58Å; V68-I108 HydrophobicContact CG1-CG1 4.08Å; V68-V146 HydrophobicContact CG1-CG1 4.42Å; V68-V146 HydrophobicContact CG1-CG2 4.13Å; V68-A149 HydrophobicContact CG2-CB 3.99Å; V68-K150 HydrophobicContact CG2-CG 4.06Å |
| 69 | A | 88.5 | Confident | 84 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L87 F104 V106 V107 I108 | A69-L87 CarbonylContact C-O 3.59Å; A69-L87 WeakPolarHBondContact CA-O 3.45Å; A69-L87 HydrophobicContact CB-CB 4.16Å; A69-F104 HydrophobicContact CB-CB 3.72Å; A69-F104 HydrophobicContact CB-CD1 3.9Å; A69-F104 HydrophobicContact CB-CD2 3.94Å; A69-F104 HydrophobicContact CB-CG 3.55Å; A69-V106 PolarHBondContact N-O 2.79Å; A69-V107 CarbonylContact O-C 3.57Å; A69-V107 WeakPolarHBondContact O-CA 3.47Å; A69-I108 PolarHBondContact O-N 2.92Å |
| 70 | V | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.9 | -176.4 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | V68 T72 A80 A85 L87 V88 G89 I108 V142 V146 | V68-V70 HydrophobicContact CG1-CG2 3.92Å; V70-T72 HydrophobicContact CG1-CG2 3.69Å; V70-A80 HydrophobicContact CB-CB 4.13Å; V70-A80 HydrophobicContact CG1-CB 3.78Å; V70-A80 HydrophobicContact CG2-CB 4.11Å; V70-A85 HydrophobicContact CB-CB 4.39Å; V70-A85 HydrophobicContact CG2-CB 3.53Å; V70-L87 PolarHBondContact N-O 2.86Å; V70-V88 HydrophobicContact CB-CG2 4.25Å; V70-V88 WeakPolarHBondContact O-CA 3.43Å; V70-G89 PolarHBondContact O-N 3.4Å; V70-G89 VanDerWaalsContact O-N 3.13Å; V70-I108 CarbonylContact C-O 3.56Å; V70-I108 VanDerWaalsContact CA-O 3.31Å; V70-I108 WeakPolarHBondContact CA-O 3.46Å; V70-I108 HydrophobicContact CG2-CB 4.36Å; V70-V142 HydrophobicContact CB-CG1 4.43Å; V70-V142 HydrophobicContact CG1-CG1 3.22Å; V70-V142 HydrophobicContact CG2-CG1 4.36Å; V70-V146 HydrophobicContact CG2-CG2 3.55Å |
| 71 | F | 87.8 | Confident | 84 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 104.7 | 171.9 | -69.3 | -87.4 | 0 | 0 | 0 | 110.6 | G89 L93 A94 I97 V107 I108 A109 S110 A113 V117 L120 | F71-G89 VanDerWaalsContact CA-O 3.32Å; F71-G89 WeakPolarHBondContact CA-O 3.03Å; F71-L93 HydrophobicContact CE1-CB 4.34Å; F71-L93 HydrophobicContact CE1-CD2 3.94Å; F71-L93 HydrophobicContact CE2-CD2 4.37Å; F71-L93 HydrophobicContact CZ-CD2 3.73Å; F71-A94 HydrophobicContact CE1-CB 4.21Å; F71-I97 HydrophobicContact CE1-CD1 4.42Å; F71-I97 HydrophobicContact CE2-CD1 4.18Å; F71-I97 HydrophobicContact CZ-CD1 3.49Å; F71-I97 VanDerWaalsContact CZ-CD1 3.49Å; F71-V107 HydrophobicContact CD2-CG1 3.4Å; F71-V107 HydrophobicContact CE2-CG1 3.36Å; F71-I108 PolarHBondContact N-O 2.76Å; F71-A109 HydrophobicContact CB-CB 4.09Å; F71-A109 WeakPolarHBondContact O-CA 3.47Å; F71-S110 PolarHBondContact O-N 3.11Å; F71-S110 PolarHBondContact O-OG 2.85Å; F71-A113 HydrophobicContact CB-CB 4.15Å; F71-V117 HydrophobicContact CB-CG2 3.88Å; F71-V117 HydrophobicContact CD1-CG2 4.11Å; F71-V117 HydrophobicContact CD2-CG2 3.8Å; F71-V117 HydrophobicContact CE2-CG2 4.27Å; F71-V117 HydrophobicContact CG-CG2 3.67Å; F71-L120 HydrophobicContact CE1-CD1 3.97Å; F71-L120 HydrophobicContact CZ-CD1 3.57Å |
| 72 | T | 85.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | trans | -163.2 | 161.8 | 179.2 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | V70 N76 A77 V88 G89 S110 | V70-T72 HydrophobicContact CG1-CG2 3.69Å; T72-N76 HydrophobicContact CG2-CB 3.99Å; T72-N76 WeakPolarHBondContact OG1-CB 3.36Å; T72-A77 VanDerWaalsContact CG2-CA 3.5Å; T72-A77 HydrophobicContact CG2-CB 3.96Å; T72-V88 HydrophobicContact CG2-CG1 4.15Å; T72-G89 PolarHBondContact N-O 3.33Å; T72-S110 WeakPolarHBondContact CA-OG 3.39Å; T72-S110 WeakPolarHBondContact CB-OG 3.42Å; T72-S110 PolarHBondContact OG1-OG 3.06Å | ||
| 73 | Q | 82.1 | Confident | 84.5 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | trans | -116.3 | 167.7 | 170.9 | -69.7 | -171.5 | -23 | 0 | 0 | 113.3 | M90 | Q73-M90 HydrophobicContact CG-CB 4.37Å; Q73-M90 HydrophobicContact CG-CE 3.48Å; Q73-M90 VanDerWaalsContact CG-CE 3.48Å; Q73-M90 HydrophobicContact CG-CG 3.27Å; Q73-M90 HydrophobicContact CG-SD 3.66Å | ||
| 74 | G | 83.2 | Confident | 84.8 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 59% | 0.588 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -141.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N76 A77 | G74-N76 PolarHBondContact O-N 3.13Å; G74-N76 VanDerWaalsContact O-N 3.15Å; G74-A77 VanDerWaalsContact O-CB 3.29Å; G74-A77 WeakPolarHBondContact O-CB 3.33Å; G74-A77 PolarHBondContact O-N 3.14Å |
| 75 | A | 84.3 | Confident | 85.1 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 63% | 0.628 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56.2 | -31.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A77 E78 A79 | A75-A77 VanDerWaalsContact C-N 3.26Å; A75-A77 PolarHBondContact O-N 3.5Å; A75-E78 PolarHBondContact O-N 3.39Å; A75-A79 WeakPolarHBondContact O-CB 3.47Å; A75-A79 PolarHBondContact O-N 3Å |
| 76 | N | 83.6 | Confident | 85.4 | Confident | 57 Ų | 57 | 48 Ų | 48 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.6 | -27.5 | 177.3 | -73.9 | -17.2 | 0 | 0 | 0 | 112.5 | T72 G74 A80 V142 | T72-N76 HydrophobicContact CG2-CB 3.99Å; T72-N76 WeakPolarHBondContact OG1-CB 3.36Å; G74-N76 PolarHBondContact O-N 3.13Å; G74-N76 VanDerWaalsContact O-N 3.15Å; N76-A80 VanDerWaalsContact O-CB 3.27Å; N76-A80 WeakPolarHBondContact O-CB 3.48Å; N76-A80 PolarHBondContact O-N 3Å; N76-V142 HydrophobicContact CB-CG2 4.14Å |
| 77 | A | 83.6 | Confident | 85.4 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T72 G74 A75 A80 K81 V88 | T72-A77 VanDerWaalsContact CG2-CA 3.5Å; T72-A77 HydrophobicContact CG2-CB 3.96Å; G74-A77 VanDerWaalsContact O-CB 3.29Å; G74-A77 WeakPolarHBondContact O-CB 3.33Å; G74-A77 PolarHBondContact O-N 3.14Å; A75-A77 VanDerWaalsContact C-N 3.26Å; A75-A77 PolarHBondContact O-N 3.5Å; A77-A80 PolarHBondContact O-N 2.8Å; A77-K81 WeakPolarHBondContact O-CG 3.38Å; A77-K81 PolarHBondContact O-N 3.18Å; A77-V88 HydrophobicContact CB-CG1 3.72Å |
| 78 | E | 85.2 | Confident | 85.4 | Confident | 148 Ų | 148 | 46.2 Ų | 46.2 | 69% | 0.692 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | 173.9 | -64 | -177.4 | 171.3 | 0 | 0 | 111 | A75 A80 K81 A82 | A75-E78 PolarHBondContact O-N 3.39Å; E78-A80 VanDerWaalsContact C-N 3.29Å; E78-A80 PolarHBondContact O-N 2.98Å; E78-K81 PolarHBondContact O-N 3.33Å; E78-A82 WeakPolarHBondContact O-CB 3.27Å; E78-A82 PolarHBondContact O-N 3.49Å |
| 79 | A | 86.7 | Confident | 85.2 | Confident | 36 Ų | 36 | 47 Ų | 47 | 30% | 0.298 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A75 A83 A143 | A75-A79 WeakPolarHBondContact O-CB 3.47Å; A75-A79 PolarHBondContact O-N 3Å; A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 3.47Å; A79-A143 HydrophobicContact CB-CB 4.13Å |
| 80 | A | 85.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V70 N76 A77 E78 A82 A83 G84 A85 V88 V142 | V70-A80 HydrophobicContact CB-CB 4.13Å; V70-A80 HydrophobicContact CG1-CB 3.78Å; V70-A80 HydrophobicContact CG2-CB 4.11Å; N76-A80 VanDerWaalsContact O-CB 3.27Å; N76-A80 WeakPolarHBondContact O-CB 3.48Å; N76-A80 PolarHBondContact O-N 3Å; A77-A80 PolarHBondContact O-N 2.8Å; E78-A80 VanDerWaalsContact C-N 3.29Å; E78-A80 PolarHBondContact O-N 2.98Å; A80-A82 VanDerWaalsContact C-N 3.35Å; A80-A83 PolarHBondContact O-N 2.92Å; A80-G84 PolarHBondContact O-N 2.79Å; A80-A85 HydrophobicContact CB-CB 4.32Å; A80-A85 VanDerWaalsContact O-CB 3.29Å; A80-A85 WeakPolarHBondContact O-CB 3.5Å; A80-A85 PolarHBondContact O-N 3.15Å; A80-V88 HydrophobicContact CB-CG1 4.31Å; A80-V88 HydrophobicContact CB-CG2 3.97Å; A80-V142 HydrophobicContact CB-CG1 3.86Å |
| 81 | K | 85.9 | Confident | 84.5 | Confident | 138 Ų | 138 | 53.1 Ų | 53.1 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 174.4 | -72 | -179.2 | -178.1 | 179.4 | 0 | 111 | A77 E78 A83 G84 V88 | A77-K81 WeakPolarHBondContact O-CG 3.38Å; A77-K81 PolarHBondContact O-N 3.18Å; E78-K81 PolarHBondContact O-N 3.33Å; K81-A83 VanDerWaalsContact C-N 3.3Å; K81-A83 PolarHBondContact O-N 3.12Å; K81-G84 WeakPolarHBondContact O-CA 3.17Å; K81-G84 PolarHBondContact O-N 3.23Å; K81-V88 HydrophobicContact CG-CB 4.12Å; K81-V88 HydrophobicContact CG-CG2 3.67Å |
| 82 | A | 88.5 | Confident | 84.2 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 75% | 0.752 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.6 | -32.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E78 A80 G84 | E78-A82 WeakPolarHBondContact O-CB 3.27Å; E78-A82 PolarHBondContact O-N 3.49Å; A80-A82 VanDerWaalsContact C-N 3.35Å; A82-G84 PolarHBondContact O-N 3.08Å |
| 83 | A | 85.7 | Confident | 84 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -6.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A79 A80 K81 A143 V146 K147 | A79-A83 WeakPolarHBondContact O-CB 3.42Å; A79-A83 PolarHBondContact O-N 3.47Å; A80-A83 PolarHBondContact O-N 2.92Å; K81-A83 VanDerWaalsContact C-N 3.3Å; K81-A83 PolarHBondContact O-N 3.12Å; A83-A143 HydrophobicContact CB-CB 4.11Å; A83-V146 HydrophobicContact CB-CB 3.81Å; A83-V146 HydrophobicContact CB-CG1 3.76Å; A83-V146 WeakPolarHBondContact O-CG1 3.11Å; A83-K147 HydrophobicContact CB-CG 4.38Å |
| 84 | G | 83.5 | Confident | 84 | Confident | 30 Ų | 30 | 54.7 Ų | 54.7 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | 16.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | A80 K81 A82 E86 K150 | A80-G84 PolarHBondContact O-N 2.79Å; K81-G84 WeakPolarHBondContact O-CA 3.17Å; K81-G84 PolarHBondContact O-N 3.23Å; A82-G84 PolarHBondContact O-N 3.08Å; G84-E86 PolarHBondContact O-N 2.85Å; G84-K150 WeakPolarHBondContact O-CE 3.31Å; G84-K150 PolarHBondContact O-NZ 3Å |
| 85 | A | 84 | Confident | 84 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | trans | -60.1 | 130.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V70 A80 V88 V146 | V70-A85 HydrophobicContact CB-CB 4.39Å; V70-A85 HydrophobicContact CG2-CB 3.53Å; A80-A85 HydrophobicContact CB-CB 4.32Å; A80-A85 VanDerWaalsContact O-CB 3.29Å; A80-A85 WeakPolarHBondContact O-CB 3.5Å; A80-A85 PolarHBondContact O-N 3.15Å; A85-V88 HydrophobicContact CB-CG2 3.67Å; A85-V146 HydrophobicContact CB-CG1 4.23Å; A85-V146 HydrophobicContact CB-CG2 4.28Å | ||
| 86 | E | 85 | Confident | 83.9 | Confident | 90 Ų | 90 | 55.7 Ų | 55.7 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -71 | -37.1 | 179.6 | -70.7 | 78.1 | -172.6 | 0 | 0 | 112.1 | R67 V68 G84 K150 | R67-E86 WeakPolarHBondContact CA-OE2 3.4Å; R67-E86 HydrophobicContact CB-CG 4.44Å; R67-E86 HydrophobicContact CG-CG 4.34Å; V68-E86 PolarHBondContact N-OE2 3.47Å; V68-E86 PolarHBondContact O-N 3.12Å; G84-E86 PolarHBondContact O-N 2.85Å; E86-K150 IonicContact OE1-NZ 3.72Å; E86-K150 PolarHBondContact OE1-NZ 2.95Å; E86-K150 IonicContact OE2-NZ 3.38Å |
| 87 | L | 84.4 | Confident | 83.8 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.2 | -178.6 | -62.4 | 172.2 | 0 | 0 | 0 | 109.3 | V68 A69 V70 L93 F104 | V68-L87 PolarHBondContact O-N 2.89Å; A69-L87 CarbonylContact C-O 3.59Å; A69-L87 WeakPolarHBondContact CA-O 3.45Å; A69-L87 HydrophobicContact CB-CB 4.16Å; V70-L87 PolarHBondContact N-O 2.86Å; L87-L93 HydrophobicContact CB-CD1 3.89Å; L87-F104 HydrophobicContact CD1-CD1 4.02Å |
| 88 | V | 85.2 | Confident | 83.6 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 20% | 0.2 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 124.9 | 176.1 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | V70 T72 A77 A80 K81 A85 | V70-V88 HydrophobicContact CB-CG2 4.25Å; V70-V88 WeakPolarHBondContact O-CA 3.43Å; T72-V88 HydrophobicContact CG2-CG1 4.15Å; A77-V88 HydrophobicContact CB-CG1 3.72Å; A80-V88 HydrophobicContact CB-CG1 4.31Å; A80-V88 HydrophobicContact CB-CG2 3.97Å; K81-V88 HydrophobicContact CG-CB 4.12Å; K81-V88 HydrophobicContact CG-CG2 3.67Å; A85-V88 HydrophobicContact CB-CG2 3.67Å |
| 89 | G | 83.4 | Confident | 83.4 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 19% | 0.186 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | -174.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V70 F71 T72 | V70-G89 PolarHBondContact O-N 3.4Å; V70-G89 VanDerWaalsContact O-N 3.13Å; F71-G89 VanDerWaalsContact CA-O 3.32Å; F71-G89 WeakPolarHBondContact CA-O 3.03Å; T72-G89 PolarHBondContact N-O 3.33Å |
| 90 | M | 81 | Confident | 82.9 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -126.8 | -98.4 | 177.1 | -82.2 | -98 | -76.4 | 0 | 0 | 110.8 | Q73 A94 A113 V116 | Q73-M90 HydrophobicContact CG-CB 4.37Å; Q73-M90 HydrophobicContact CG-CE 3.48Å; Q73-M90 VanDerWaalsContact CG-CE 3.48Å; Q73-M90 HydrophobicContact CG-CG 3.27Å; Q73-M90 HydrophobicContact CG-SD 3.66Å; M90-A94 WeakPolarHBondContact O-CB 3.39Å; M90-A94 PolarHBondContact O-N 2.91Å; M90-A94 VanDerWaalsContact O-N 3.11Å; M90-A113 HydrophobicContact CE-CB 4.09Å; M90-A113 HydrophobicContact SD-CB 3.09Å; M90-A113 WeakPolarHBondContact SD-CB 3.18Å; M90-V116 HydrophobicContact CE-CG2 4.45Å |
| 91 | E | 80.7 | Confident | 82.4 | Confident | 104 Ų | 104 | 64.4 Ų | 64.4 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.5 | -40.2 | -174.8 | -62.3 | -175.3 | 167.8 | 0 | 0 | 110.5 | L93 A94 D95 R115 V116 | E91-L93 PolarHBondContact O-N 3.37Å; E91-A94 WeakPolarHBondContact O-CB 3.43Å; E91-A94 PolarHBondContact O-N 2.87Å; E91-A94 VanDerWaalsContact O-N 3.15Å; E91-D95 PolarHBondContact O-N 2.92Å; E91-R115 IonicContact OE1-NH2 3.77Å; E91-V116 HydrophobicContact CG-CG2 4.15Å |
| 92 | D | 82.2 | Confident | 81.9 | Confident | 131 Ų | 131 | 60 Ų | 60 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.6 | -44.7 | 177.2 | -57.2 | -35.8 | 0 | 0 | 0 | 112.6 | A94 D95 Q96 | D92-A94 VanDerWaalsContact C-N 3.35Å; D92-D95 PolarHBondContact O-N 3.49Å; D92-Q96 WeakPolarHBondContact O-CG 3.44Å; D92-Q96 PolarHBondContact O-N 2.99Å |
| 93 | L | 81 | Confident | 81.5 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 178.6 | -158.8 | 169.5 | 0 | 0 | 0 | 110 | F71 L87 E91 D95 Q96 I97 | F71-L93 HydrophobicContact CE1-CB 4.34Å; F71-L93 HydrophobicContact CE1-CD2 3.94Å; F71-L93 HydrophobicContact CE2-CD2 4.37Å; F71-L93 HydrophobicContact CZ-CD2 3.73Å; L87-L93 HydrophobicContact CB-CD1 3.89Å; E91-L93 PolarHBondContact O-N 3.37Å; L93-D95 VanDerWaalsContact C-N 3.31Å; L93-D95 PolarHBondContact O-N 2.88Å; L93-Q96 PolarHBondContact O-N 2.68Å; L93-I97 HydrophobicContact CD2-CD1 3.23Å; L93-I97 HydrophobicContact CD2-CG1 3.91Å; L93-I97 WeakPolarHBondContact O-CG1 3.12Å; L93-I97 PolarHBondContact O-N 3.41Å |
| 94 | A | 80.4 | Confident | 81.4 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F71 M90 E91 D92 I97 K98 V116 L120 | F71-A94 HydrophobicContact CE1-CB 4.21Å; M90-A94 WeakPolarHBondContact O-CB 3.39Å; M90-A94 PolarHBondContact O-N 2.91Å; M90-A94 VanDerWaalsContact O-N 3.11Å; E91-A94 WeakPolarHBondContact O-CB 3.43Å; E91-A94 PolarHBondContact O-N 2.87Å; E91-A94 VanDerWaalsContact O-N 3.15Å; D92-A94 VanDerWaalsContact C-N 3.35Å; A94-I97 PolarHBondContact O-N 3.4Å; A94-K98 WeakPolarHBondContact O-CG 3.4Å; A94-K98 PolarHBondContact O-N 3Å; A94-V116 HydrophobicContact CB-CG1 3.43Å; A94-V116 VanDerWaalsContact CB-CG1 3.43Å; A94-L120 HydrophobicContact CB-CD1 3.87Å; A94-L120 HydrophobicContact CB-CD2 4.23Å; A94-L120 HydrophobicContact CB-CG 4.28Å; A94-L120 WeakPolarHBondContact O-CD2 3.41Å |
| 95 | D | 83.2 | Confident | 81.3 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.7 | -34.5 | 177.9 | -73.1 | -14.4 | 0 | 0 | 0 | 112.6 | E91 D92 L93 I97 K98 K99 | E91-D95 PolarHBondContact O-N 2.92Å; D92-D95 PolarHBondContact O-N 3.49Å; L93-D95 VanDerWaalsContact C-N 3.31Å; L93-D95 PolarHBondContact O-N 2.88Å; D95-I97 VanDerWaalsContact C-N 3.34Å; D95-K98 PolarHBondContact O-N 2.95Å; D95-K98 IonicContact OD1-NZ 3.48Å; D95-K98 PolarHBondContact OD1-NZ 3.49Å; D95-K99 VanDerWaalsContact O-CG 3.3Å; D95-K99 WeakPolarHBondContact O-CG 3.41Å; D95-K99 PolarHBondContact O-N 3.24Å |
| 96 | Q | 82.2 | Confident | 81.3 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 168.7 | -74.9 | 175.3 | -11.5 | 0 | 0 | 111.9 | D92 L93 K98 K99 G100 E101 | D92-Q96 WeakPolarHBondContact O-CG 3.44Å; D92-Q96 PolarHBondContact O-N 2.99Å; L93-Q96 PolarHBondContact O-N 2.68Å; Q96-K98 PolarHBondContact O-N 3.32Å; Q96-K99 CarbonylContact O-C 3.59Å; Q96-K99 WeakPolarHBondContact O-CB 3.27Å; Q96-K99 PolarHBondContact O-N 3.06Å; Q96-K99 VanDerWaalsContact O-N 3.15Å; Q96-G100 PolarHBondContact O-N 3.23Å; Q96-E101 HydrophobicContact CB-CB 4.44Å; Q96-E101 PolarHBondContact O-N 3Å; Q96-E101 VanDerWaalsContact O-N 3.08Å |
| 97 | I | 82.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.4 | -72.5 | 165.5 | 0 | 0 | 0 | 111.5 | F71 L93 A94 D95 K99 G100 F104 L120 V123 L124 | F71-I97 HydrophobicContact CE1-CD1 4.42Å; F71-I97 HydrophobicContact CE2-CD1 4.18Å; F71-I97 HydrophobicContact CZ-CD1 3.49Å; F71-I97 VanDerWaalsContact CZ-CD1 3.49Å; L93-I97 HydrophobicContact CD2-CD1 3.23Å; L93-I97 HydrophobicContact CD2-CG1 3.91Å; L93-I97 WeakPolarHBondContact O-CG1 3.12Å; L93-I97 PolarHBondContact O-N 3.41Å; A94-I97 PolarHBondContact O-N 3.4Å; D95-I97 VanDerWaalsContact C-N 3.34Å; I97-K99 VanDerWaalsContact C-N 3.27Å; I97-K99 PolarHBondContact O-N 3.48Å; I97-G100 PolarHBondContact O-N 2.99Å; I97-G100 VanDerWaalsContact O-N 3.09Å; I97-F104 HydrophobicContact CD1-CE1 3.6Å; I97-F104 HydrophobicContact CD1-CE2 4.48Å; I97-F104 HydrophobicContact CD1-CZ 3.44Å; I97-F104 VanDerWaalsContact CD1-CZ 3.44Å; I97-F104 HydrophobicContact CG1-CE1 3.51Å; I97-F104 HydrophobicContact CG1-CZ 3.63Å; I97-F104 HydrophobicContact CG2-CZ 4.46Å; I97-L120 HydrophobicContact CB-CD2 4.38Å; I97-L120 HydrophobicContact CD1-CD1 4.15Å; I97-L120 HydrophobicContact CG2-CD1 4.36Å; I97-L120 HydrophobicContact CG2-CD2 4.08Å; I97-V123 HydrophobicContact CG2-CG1 4.25Å; I97-L124 HydrophobicContact CG2-CD2 4.49Å |
| 98 | K | 78.7 | Confident | 81.5 | Confident | 104 Ų | 104 | 55.2 Ų | 55.2 | 45% | 0.452 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 174 | -71.9 | 172.3 | -166.4 | 158.6 | 0 | 111.8 | A94 D95 Q96 G100 L120 | A94-K98 WeakPolarHBondContact O-CG 3.4Å; A94-K98 PolarHBondContact O-N 3Å; D95-K98 PolarHBondContact O-N 2.95Å; D95-K98 IonicContact OD1-NZ 3.48Å; D95-K98 PolarHBondContact OD1-NZ 3.49Å; Q96-K98 PolarHBondContact O-N 3.32Å; K98-G100 PolarHBondContact O-N 2.92Å; K98-L120 HydrophobicContact CD-CD2 4.46Å; K98-L120 HydrophobicContact CG-CD2 3.73Å |
| 99 | K | 81.5 | Confident | 81.7 | Confident | 182 Ų | 182 | 53.6 Ų | 53.6 | 79% | 0.791 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -72.7 | -9.7 | 175 | -71.4 | 172.8 | -175.5 | 176.8 | 0 | 113.7 | D95 Q96 I97 | D95-K99 VanDerWaalsContact O-CG 3.3Å; D95-K99 WeakPolarHBondContact O-CG 3.41Å; D95-K99 PolarHBondContact O-N 3.24Å; Q96-K99 CarbonylContact O-C 3.59Å; Q96-K99 WeakPolarHBondContact O-CB 3.27Å; Q96-K99 PolarHBondContact O-N 3.06Å; Q96-K99 VanDerWaalsContact O-N 3.15Å; I97-K99 VanDerWaalsContact C-N 3.27Å; I97-K99 PolarHBondContact O-N 3.48Å |
| 100 | G | 77.4 | Confident | 81.9 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.9 | 6.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q96 I97 K98 M102 | Q96-G100 PolarHBondContact O-N 3.23Å; I97-G100 PolarHBondContact O-N 2.99Å; I97-G100 VanDerWaalsContact O-N 3.09Å; K98-G100 PolarHBondContact O-N 2.92Å; G100-M102 PolarHBondContact O-N 3.42Å |
| 101 | E | 75.3 | Confident | 82.1 | Confident | 110 Ų | 110 | 55 Ų | 55 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | trans | -76.7 | 95.1 | 174.9 | -67.7 | -169.9 | 166.3 | 0 | 0 | 110.4 | Q96 | Q96-E101 HydrophobicContact CB-CB 4.44Å; Q96-E101 PolarHBondContact O-N 3Å; Q96-E101 VanDerWaalsContact O-N 3.08Å | ||
| 102 | M | 74.2 | Confident | 82.3 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | trans | -115.5 | 61.6 | -177.8 | -59.1 | -167.3 | -152.7 | 0 | 0 | 111.4 | G100 F104 V123 R127 | G100-M102 PolarHBondContact O-N 3.42Å; M102-F104 VanDerWaalsContact C-N 3.27Å; M102-F104 PolarHBondContact O-N 3.12Å; M102-V123 HydrophobicContact CE-CG1 3.28Å; M102-V123 HydrophobicContact SD-CG1 4.1Å; M102-R127 PolarHBondContact SD-NH1 3.09Å | ||
| 103 | N | 80.5 | Confident | 82.4 | Confident | 101 Ų | 101 | 47.9 Ų | 47.9 | 54% | 0.54 | 25% | 0.25 | S | S | . | . | trans | -92.7 | 33.6 | 179.8 | -69.1 | -30.1 | 0 | 0 | 0 | 112.9 | R67 | R67-N103 WeakPolarHBondContact CD-O 3.33Å; R67-N103 PolarHBondContact NE-O 3.48Å; R67-N103 PolarHBondContact NH1-O 3.22Å | ||
| 104 | F | 84.2 | Confident | 82.3 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | trans | -138.4 | 150.9 | 179.1 | 55 | -89.6 | 0 | 0 | 0 | 111.3 | A69 L87 I97 M102 V107 L124 L129 | A69-F104 HydrophobicContact CB-CB 3.72Å; A69-F104 HydrophobicContact CB-CD1 3.9Å; A69-F104 HydrophobicContact CB-CD2 3.94Å; A69-F104 HydrophobicContact CB-CG 3.55Å; L87-F104 HydrophobicContact CD1-CD1 4.02Å; I97-F104 HydrophobicContact CD1-CE1 3.6Å; I97-F104 HydrophobicContact CD1-CE2 4.48Å; I97-F104 HydrophobicContact CD1-CZ 3.44Å; I97-F104 VanDerWaalsContact CD1-CZ 3.44Å; I97-F104 HydrophobicContact CG1-CE1 3.51Å; I97-F104 HydrophobicContact CG1-CZ 3.63Å; I97-F104 HydrophobicContact CG2-CZ 4.46Å; M102-F104 VanDerWaalsContact C-N 3.27Å; M102-F104 PolarHBondContact O-N 3.12Å; F104-V107 HydrophobicContact CD2-CG2 3.57Å; F104-V107 HydrophobicContact CE2-CG2 3.32Å; F104-V107 HydrophobicContact CZ-CG2 4.36Å; F104-L124 HydrophobicContact CE2-CD2 3.99Å; F104-L124 HydrophobicContact CZ-CD2 4.13Å; F104-L129 HydrophobicContact CD2-CD1 4.48Å; F104-L129 HydrophobicContact CE2-CD1 4.08Å | ||
| 105 | D | 81.1 | Confident | 82.4 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -108.5 | -23.2 | -176.8 | -48.9 | -60.5 | 0 | 0 | 0 | 111.2 | V66 R67 L129 | V66-D105 HydrophobicContact CG1-CB 4.08Å; R67-D105 WeakPolarHBondContact CB-OD2 3.5Å; R67-D105 PolarHBondContact N-OD2 3.23Å; R67-D105 IonicContact NE-OD2 2.76Å; R67-D105 PolarHBondContact NE-OD2 3.4Å; R67-D105 IonicContact NH2-OD1 3.61Å; R67-D105 PolarHBondContact NH2-OD1 3.41Å; R67-D105 IonicContact NH2-OD2 3.78Å; R67-D105 PolarHBondContact O-N 2.93Å; D105-L129 WeakPolarHBondContact O-CD2 3.12Å |
| 106 | V | 83.6 | Confident | 82.3 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128.7 | -178.9 | 159 | 0 | 0 | 0 | 0 | 110.2 | V66 R67 V68 A69 I108 A149 | V66-V106 HydrophobicContact CG1-CB 3.89Å; V66-V106 HydrophobicContact CG1-CG2 3.52Å; R67-V106 PolarHBondContact O-N 3.13Å; R67-V106 VanDerWaalsContact O-N 3.08Å; V68-V106 CarbonylContact C-O 3.6Å; V68-V106 WeakPolarHBondContact CA-O 3.46Å; V68-V106 HydrophobicContact CG1-CG1 4.27Å; V68-V106 HydrophobicContact CG2-CB 4.34Å; V68-V106 HydrophobicContact CG2-CG1 4.3Å; A69-V106 PolarHBondContact N-O 2.79Å; V106-I108 HydrophobicContact CG1-CD1 4.32Å; V106-I108 HydrophobicContact CG1-CG1 3.96Å; V106-A149 HydrophobicContact CG1-CB 3.94Å |
| 107 | V | 86.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.9 | 169.6 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | A69 F71 F104 L124 L129 P131 | A69-V107 CarbonylContact O-C 3.57Å; A69-V107 WeakPolarHBondContact O-CA 3.47Å; F71-V107 HydrophobicContact CD2-CG1 3.4Å; F71-V107 HydrophobicContact CE2-CG1 3.36Å; F104-V107 HydrophobicContact CD2-CG2 3.57Å; F104-V107 HydrophobicContact CE2-CG2 3.32Å; F104-V107 HydrophobicContact CZ-CG2 4.36Å; V107-L124 HydrophobicContact CG2-CD1 4.47Å; V107-L124 HydrophobicContact CG2-CD2 4.37Å; V107-L129 HydrophobicContact CG2-CB 4.33Å; V107-P131 HydrophobicContact CB-CG 4.03Å; V107-P131 HydrophobicContact CG1-CG 3.58Å |
| 108 | I | 87.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.8 | 171.6 | -59.2 | 174.6 | 0 | 0 | 0 | 107.4 | V68 A69 V70 F71 V106 T137 V142 A145 V146 A149 | V68-I108 HydrophobicContact CG1-CD1 3.58Å; V68-I108 HydrophobicContact CG1-CG1 4.08Å; A69-I108 PolarHBondContact O-N 2.92Å; V70-I108 CarbonylContact C-O 3.56Å; V70-I108 VanDerWaalsContact CA-O 3.31Å; V70-I108 WeakPolarHBondContact CA-O 3.46Å; V70-I108 HydrophobicContact CG2-CB 4.36Å; F71-I108 PolarHBondContact N-O 2.76Å; V106-I108 HydrophobicContact CG1-CD1 4.32Å; V106-I108 HydrophobicContact CG1-CG1 3.96Å; I108-T137 WeakPolarHBondContact CA-O 3.32Å; I108-V142 HydrophobicContact CG2-CG1 4.28Å; I108-A145 VanDerWaalsContact CD1-C 3.44Å; I108-A145 HydrophobicContact CD1-CB 3.92Å; I108-A145 WeakPolarHBondContact CD1-O 3.24Å; I108-A145 HydrophobicContact CG2-CB 3.84Å; I108-V146 HydrophobicContact CD1-CB 4.38Å; I108-V146 HydrophobicContact CD1-CG2 3.86Å; I108-A149 HydrophobicContact CD1-CB 4.1Å |
| 109 | A | 88.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | F71 V117 P131 T137 V138 T139 | F71-A109 HydrophobicContact CB-CB 4.09Å; F71-A109 WeakPolarHBondContact O-CA 3.47Å; A109-V117 HydrophobicContact CB-CG2 4.04Å; A109-P131 HydrophobicContact CB-CB 4.19Å; A109-P131 HydrophobicContact CB-CG 4.06Å; A109-T137 PolarHBondContact N-O 2.85Å; A109-V138 VanDerWaalsContact O-CA 3.3Å; A109-V138 WeakPolarHBondContact O-CA 3.39Å; A109-T139 PolarHBondContact O-N 3.12Å |
| 110 | S | 88.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -77.8 | 158.5 | 163.5 | 60.4 | 0 | 0 | 0 | 0 | 110 | F71 T72 D112 A113 | F71-S110 PolarHBondContact O-N 3.11Å; F71-S110 PolarHBondContact O-OG 2.85Å; T72-S110 WeakPolarHBondContact CA-OG 3.39Å; T72-S110 WeakPolarHBondContact CB-OG 3.42Å; T72-S110 PolarHBondContact OG1-OG 3.06Å; S110-D112 VanDerWaalsContact C-N 3.3Å; S110-D112 WeakPolarHBondContact CB-OD1 3.37Å; S110-D112 PolarHBondContact O-N 3.42Å; S110-D112 VanDerWaalsContact OG-CG 3.28Å; S110-D112 PolarHBondContact OG-OD1 3.3Å; S110-D112 PolarHBondContact OG-OD2 2.94Å; S110-A113 WeakPolarHBondContact O-CA 3.47Å; S110-A113 PolarHBondContact O-N 2.82Å | ||
| 111 | P | 84.9 | Confident | 82.5 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -34.9 | -177.1 | -26.9 | 36.2 | 0 | 0 | 0 | 114.6 | A113 M114 V138 | P111-A113 VanDerWaalsContact C-N 3.25Å; P111-A113 PolarHBondContact O-N 3.39Å; P111-M114 WeakPolarHBondContact O-CB 3.41Å; P111-M114 WeakPolarHBondContact O-CG 3.16Å; P111-M114 PolarHBondContact O-N 2.76Å; P111-V138 HydrophobicContact CG-CG1 4.42Å |
| 112 | D | 84.7 | Confident | 82.7 | Confident | 85 Ų | 85 | 49.3 Ų | 49.3 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.4 | 169 | 55.2 | -43.6 | 0 | 0 | 0 | 112.3 | S110 M114 | S110-D112 VanDerWaalsContact C-N 3.3Å; S110-D112 WeakPolarHBondContact CB-OD1 3.37Å; S110-D112 PolarHBondContact O-N 3.42Å; S110-D112 VanDerWaalsContact OG-CG 3.28Å; S110-D112 PolarHBondContact OG-OD1 3.3Å; S110-D112 PolarHBondContact OG-OD2 2.94Å; D112-M114 PolarHBondContact O-N 3.46Å |
| 113 | A | 83.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -35 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116 | F71 M90 S110 P111 R115 V116 V117 | F71-A113 HydrophobicContact CB-CB 4.15Å; M90-A113 HydrophobicContact CE-CB 4.09Å; M90-A113 HydrophobicContact SD-CB 3.09Å; M90-A113 WeakPolarHBondContact SD-CB 3.18Å; S110-A113 WeakPolarHBondContact O-CA 3.47Å; S110-A113 PolarHBondContact O-N 2.82Å; P111-A113 VanDerWaalsContact C-N 3.25Å; P111-A113 PolarHBondContact O-N 3.39Å; A113-R115 VanDerWaalsContact C-N 3.26Å; A113-R115 PolarHBondContact O-N 3.2Å; A113-R115 VanDerWaalsContact O-N 3.15Å; A113-V116 PolarHBondContact O-N 3.48Å; A113-V116 VanDerWaalsContact O-N 3.14Å; A113-V117 WeakPolarHBondContact O-CG2 3.45Å; A113-V117 PolarHBondContact O-N 3.08Å; A113-V117 VanDerWaalsContact O-N 3.13Å |
| 114 | M | 80.4 | Confident | 83.3 | Confident | 71 Ų | 71 | 44.7 Ų | 44.7 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -27.5 | -161.7 | -72.9 | -72.2 | -75.5 | 0 | 0 | 113.5 | P111 D112 V116 G118 V138 | P111-M114 WeakPolarHBondContact O-CB 3.41Å; P111-M114 WeakPolarHBondContact O-CG 3.16Å; P111-M114 PolarHBondContact O-N 2.76Å; D112-M114 PolarHBondContact O-N 3.46Å; M114-V116 VanDerWaalsContact C-N 3.35Å; M114-V116 PolarHBondContact O-N 3.25Å; M114-G118 PolarHBondContact O-N 2.92Å; M114-V138 HydrophobicContact CG-CG1 4.21Å; M114-V138 HydrophobicContact SD-CG1 4.15Å; M114-V138 HydrophobicContact SD-CG2 3.78Å |
| 115 | R | 81.6 | Confident | 83 | Confident | 185 Ų | 185 | 45.8 Ų | 45.8 | 70% | 0.698 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.2 | -43.1 | 177.5 | -171 | -179.7 | 71.3 | 131.7 | 5.5 | 111.6 | E91 A113 | E91-R115 IonicContact OE1-NH2 3.77Å; A113-R115 VanDerWaalsContact C-N 3.26Å; A113-R115 PolarHBondContact O-N 3.2Å; A113-R115 VanDerWaalsContact O-N 3.15Å |
| 116 | V | 81.6 | Confident | 82.9 | Confident | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.1 | -45.2 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | M90 E91 A94 A113 M114 G118 Q119 | M90-V116 HydrophobicContact CE-CG2 4.45Å; E91-V116 HydrophobicContact CG-CG2 4.15Å; A94-V116 HydrophobicContact CB-CG1 3.43Å; A94-V116 VanDerWaalsContact CB-CG1 3.43Å; A113-V116 PolarHBondContact O-N 3.48Å; A113-V116 VanDerWaalsContact O-N 3.14Å; M114-V116 VanDerWaalsContact C-N 3.35Å; M114-V116 PolarHBondContact O-N 3.25Å; V116-G118 PolarHBondContact O-N 2.73Å; V116-Q119 WeakPolarHBondContact O-CB 3.38Å; V116-Q119 PolarHBondContact O-N 3.25Å; V116-Q119 VanDerWaalsContact O-N 3.12Å |
| 117 | V | 80.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -31.8 | 179.4 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | F71 A109 A113 Q119 L120 G121 P131 | F71-V117 HydrophobicContact CB-CG2 3.88Å; F71-V117 HydrophobicContact CD1-CG2 4.11Å; F71-V117 HydrophobicContact CD2-CG2 3.8Å; F71-V117 HydrophobicContact CE2-CG2 4.27Å; F71-V117 HydrophobicContact CG-CG2 3.67Å; A109-V117 HydrophobicContact CB-CG2 4.04Å; A113-V117 WeakPolarHBondContact O-CG2 3.45Å; A113-V117 PolarHBondContact O-N 3.08Å; A113-V117 VanDerWaalsContact O-N 3.13Å; V117-Q119 VanDerWaalsContact C-N 3.28Å; V117-Q119 PolarHBondContact O-N 3.03Å; V117-L120 WeakPolarHBondContact O-CB 3.45Å; V117-L120 PolarHBondContact O-N 3.11Å; V117-G121 PolarHBondContact O-N 3.35Å; V117-P131 HydrophobicContact CG1-CG 3.96Å |
| 118 | G | 81.1 | Confident | 82 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -36.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M114 V116 L120 G121 | M114-G118 PolarHBondContact O-N 2.92Å; V116-G118 PolarHBondContact O-N 2.73Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 3.5Å; G118-G121 PolarHBondContact O-N 3.31Å |
| 119 | Q | 81.4 | Confident | 81.5 | Confident | 130 Ų | 130 | 58.3 Ų | 58.3 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.8 | -27.9 | 175.5 | -61.1 | -176.9 | -15.1 | 0 | 0 | 112.4 | V116 V117 G121 | V116-Q119 WeakPolarHBondContact O-CB 3.38Å; V116-Q119 PolarHBondContact O-N 3.25Å; V116-Q119 VanDerWaalsContact O-N 3.12Å; V117-Q119 VanDerWaalsContact C-N 3.28Å; V117-Q119 PolarHBondContact O-N 3.03Å; Q119-G121 PolarHBondContact O-N 3.14Å |
| 120 | L | 82 | Confident | 81.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 2.3 | 176.8 | -58.8 | 175.2 | 0 | 0 | 0 | 113 | F71 A94 I97 K98 V117 G118 Q122 V123 L124 | F71-L120 HydrophobicContact CE1-CD1 3.97Å; F71-L120 HydrophobicContact CZ-CD1 3.57Å; A94-L120 HydrophobicContact CB-CD1 3.87Å; A94-L120 HydrophobicContact CB-CD2 4.23Å; A94-L120 HydrophobicContact CB-CG 4.28Å; A94-L120 WeakPolarHBondContact O-CD2 3.41Å; I97-L120 HydrophobicContact CB-CD2 4.38Å; I97-L120 HydrophobicContact CD1-CD1 4.15Å; I97-L120 HydrophobicContact CG2-CD1 4.36Å; I97-L120 HydrophobicContact CG2-CD2 4.08Å; K98-L120 HydrophobicContact CD-CD2 4.46Å; K98-L120 HydrophobicContact CG-CD2 3.73Å; V117-L120 WeakPolarHBondContact O-CB 3.45Å; V117-L120 PolarHBondContact O-N 3.11Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 3.5Å; L120-Q122 PolarHBondContact O-N 3.45Å; L120-V123 PolarHBondContact O-N 3.14Å; L120-L124 HydrophobicContact CB-CD1 3.73Å; L120-L124 HydrophobicContact CB-CG 4.04Å; L120-L124 HydrophobicContact CD1-CD1 4.08Å; L120-L124 PolarHBondContact O-N 3.31Å |
| 121 | G | 81.2 | Confident | 80.7 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.5 | -33.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | V117 G118 Q119 V123 G125 | V117-G121 PolarHBondContact O-N 3.35Å; G118-G121 PolarHBondContact O-N 3.31Å; Q119-G121 PolarHBondContact O-N 3.14Å; G121-V123 VanDerWaalsContact C-N 3.27Å; G121-V123 PolarHBondContact O-N 3.44Å; G121-G125 VanDerWaalsContact O-CA 3.23Å; G121-G125 WeakPolarHBondContact O-CA 3.5Å; G121-G125 PolarHBondContact O-N 3.21Å |
| 122 | Q | 80.7 | Confident | 80.6 | Confident | 178 Ų | 178 | 60.6 Ų | 60.6 | 83% | 0.832 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.8 | -29 | 176.8 | -66.8 | -173.3 | -6.8 | 0 | 0 | 113 | L120 P126 | L120-Q122 PolarHBondContact O-N 3.45Å; Q122-P126 WeakPolarHBondContact O-CD 3.46Å; Q122-P126 WeakPolarHBondContact O-CG 3.38Å |
| 123 | V | 84.1 | Confident | 80.2 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 29% | 0.285 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -93.7 | -49 | -177.6 | -178.4 | 0 | 0 | 0 | 0 | 111 | I97 M102 L120 G121 | I97-V123 HydrophobicContact CG2-CG1 4.25Å; M102-V123 HydrophobicContact CE-CG1 3.28Å; M102-V123 HydrophobicContact SD-CG1 4.1Å; L120-V123 PolarHBondContact O-N 3.14Å; G121-V123 VanDerWaalsContact C-N 3.27Å; G121-V123 PolarHBondContact O-N 3.44Å |
| 124 | L | 81.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -80.6 | -26.2 | -176.2 | -62.9 | 178.7 | 0 | 0 | 0 | 113 | I97 F104 V107 L120 G128 L129 M130 | I97-L124 HydrophobicContact CG2-CD2 4.49Å; F104-L124 HydrophobicContact CE2-CD2 3.99Å; F104-L124 HydrophobicContact CZ-CD2 4.13Å; V107-L124 HydrophobicContact CG2-CD1 4.47Å; V107-L124 HydrophobicContact CG2-CD2 4.37Å; L120-L124 HydrophobicContact CB-CD1 3.73Å; L120-L124 HydrophobicContact CB-CG 4.04Å; L120-L124 HydrophobicContact CD1-CD1 4.08Å; L120-L124 PolarHBondContact O-N 3.31Å; L124-G128 PolarHBondContact O-N 2.91Å; L124-L129 HydrophobicContact CB-CB 4.39Å; L124-L129 HydrophobicContact CD2-CB 4.02Å; L124-L129 HydrophobicContact CD2-CD1 4.31Å; L124-L129 PolarHBondContact O-N 3.39Å; L124-M130 PolarHBondContact O-N 3.48Å |
| 125 | G | 79.2 | Confident | 79.5 | Confident | 33 Ų | 33 | 65 Ų | 65 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -56.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G121 R127 G128 | G121-G125 VanDerWaalsContact O-CA 3.23Å; G121-G125 WeakPolarHBondContact O-CA 3.5Å; G121-G125 PolarHBondContact O-N 3.21Å; G125-R127 PolarHBondContact O-N 3.15Å; G125-G128 PolarHBondContact O-N 3.02Å |
| 126 | P | 79.1 | Confident | 79.3 | Confident | 113 Ų | 113 | 57.9 Ų | 57.9 | 73% | 0.734 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29.4 | 179.3 | -25 | 34.8 | 0 | 0 | 0 | 113.5 | Q122 G128 | Q122-P126 WeakPolarHBondContact O-CD 3.46Å; Q122-P126 WeakPolarHBondContact O-CG 3.38Å; P126-G128 VanDerWaalsContact C-N 3.33Å |
| 127 | R | 74.3 | Confident | 79.2 | Confident | 156 Ų | 156 | 57.7 Ų | 57.7 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -4.4 | 178.5 | -63.3 | -171 | 177 | -156.2 | 3.3 | 113.9 | M102 G125 L129 | M102-R127 PolarHBondContact SD-NH1 3.09Å; G125-R127 PolarHBondContact O-N 3.15Å; R127-L129 HydrophobicContact CB-CD1 4.18Å; R127-L129 HydrophobicContact CB-CG 4.09Å; R127-L129 PolarHBondContact O-N 2.87Å |
| 128 | G | 75.4 | Confident | 79.5 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 54% | 0.536 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 13 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L124 G125 P126 M130 | L124-G128 PolarHBondContact O-N 2.91Å; G125-G128 PolarHBondContact O-N 3.02Å; P126-G128 VanDerWaalsContact C-N 3.33Å; G128-M130 VanDerWaalsContact C-N 3.33Å |
| 129 | L | 79.2 | Confident | 79.6 | Confident | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | trans | -85.6 | -8.2 | -179.2 | -65.7 | 178.9 | 0 | 0 | 0 | 112.9 | F104 D105 V107 L124 R127 P131 | F104-L129 HydrophobicContact CD2-CD1 4.48Å; F104-L129 HydrophobicContact CE2-CD1 4.08Å; D105-L129 WeakPolarHBondContact O-CD2 3.12Å; V107-L129 HydrophobicContact CG2-CB 4.33Å; L124-L129 HydrophobicContact CB-CB 4.39Å; L124-L129 HydrophobicContact CD2-CB 4.02Å; L124-L129 HydrophobicContact CD2-CD1 4.31Å; L124-L129 PolarHBondContact O-N 3.39Å; R127-L129 HydrophobicContact CB-CD1 4.18Å; R127-L129 HydrophobicContact CB-CG 4.09Å; R127-L129 PolarHBondContact O-N 2.87Å; L129-P131 WeakPolarHBondContact O-CD 3.48Å | ||
| 130 | M | 81 | Confident | 79.8 | Confident | 78 Ų | 78 | 56 Ų | 56 | 38% | 0.384 | 33% | 0.325 | S | S | . | . | trans | -58.4 | 123.8 | -178.9 | -167 | 176.5 | -171 | 0 | 0 | 111.4 | L124 G128 N132 | L124-M130 PolarHBondContact O-N 3.48Å; G128-M130 VanDerWaalsContact C-N 3.33Å; M130-N132 PolarHBondContact O-N 3.48Å | ||
| 131 | P | 78.5 | Confident | 80 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.039 | 35% | 0.35 | C | S | . | . | trans | -56 | 138.2 | 173.8 | -27.3 | 36.9 | 0 | 0 | 0 | 111.3 | V107 A109 V117 L129 T137 V138 | V107-P131 HydrophobicContact CB-CG 4.03Å; V107-P131 HydrophobicContact CG1-CG 3.58Å; A109-P131 HydrophobicContact CB-CB 4.19Å; A109-P131 HydrophobicContact CB-CG 4.06Å; V117-P131 HydrophobicContact CG1-CG 3.96Å; L129-P131 WeakPolarHBondContact O-CD 3.48Å; P131-T137 VanDerWaalsContact CA-OG1 3.28Å; P131-T137 WeakPolarHBondContact CA-OG1 3.37Å; P131-V138 HydrophobicContact CB-CG2 3.53Å | ||
| 132 | N | 81.2 | Confident | 80.2 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | trans | -138.8 | 130.1 | 176.4 | -176.3 | -31 | 0 | 0 | 0 | 109.1 | R53 M130 K134 V135 T137 | R53-N132 PolarHBondContact NH1-ND2 3.32Å; M130-N132 PolarHBondContact O-N 3.48Å; N132-K134 PolarHBondContact O-N 3.27Å; N132-K134 VanDerWaalsContact O-N 3.14Å; N132-K134 WeakPolarHBondContact OD1-CB 3.46Å; N132-K134 PolarHBondContact OD1-N 3.21Å; N132-V135 HydrophobicContact CB-CG2 4.06Å; N132-V135 WeakPolarHBondContact O-CG2 3.23Å; N132-V135 PolarHBondContact O-N 3.05Å; N132-T137 PolarHBondContact N-OG1 3.43Å; N132-T137 PolarHBondContact O-N 3.23Å; N132-T137 PolarHBondContact O-OG1 3.24Å | ||
| 133 | P | 77.6 | Confident | 80.5 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -52.1 | -35.4 | 175.6 | -25.7 | 32.4 | 0 | 0 | 0 | 113.5 | V135 G136 V138 | P133-V135 PolarHBondContact O-N 2.88Å; P133-G136 PolarHBondContact O-N 3.48Å; P133-V138 HydrophobicContact CB-CB 4.43Å; P133-V138 HydrophobicContact CG-CB 3.97Å; P133-V138 HydrophobicContact CG-CG1 4.37Å; P133-V138 HydrophobicContact CG-CG2 4.25Å |
| 134 | K | 72.3 | Confident | 80.6 | Confident | 163 Ų | 163 | 55.5 Ų | 55.5 | 71% | 0.709 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.9 | -179.4 | -66.3 | -172.5 | 176 | -171.5 | 0 | 114.4 | N132 | N132-K134 PolarHBondContact O-N 3.27Å; N132-K134 VanDerWaalsContact O-N 3.14Å; N132-K134 WeakPolarHBondContact OD1-CB 3.46Å; N132-K134 PolarHBondContact OD1-N 3.21Å |
| 135 | V | 75.2 | Confident | 80.7 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -101.3 | 5.8 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 112 | R53 A55 N132 P133 T137 Q153 | R53-V135 HydrophobicContact CG-CG1 3.93Å; A55-V135 HydrophobicContact CB-CB 4.29Å; N132-V135 HydrophobicContact CB-CG2 4.06Å; N132-V135 WeakPolarHBondContact O-CG2 3.23Å; N132-V135 PolarHBondContact O-N 3.05Å; P133-V135 PolarHBondContact O-N 2.88Å; V135-T137 VanDerWaalsContact C-N 3.28Å; V135-T137 HydrophobicContact CG2-CG2 3.72Å; V135-T137 WeakPolarHBondContact CG2-OG1 3.17Å; V135-T137 PolarHBondContact O-N 2.94Å; V135-Q153 PolarHBondContact O-NE2 3.13Å |
| 136 | G | 78 | Confident | 81.1 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 11.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P133 | P133-G136 PolarHBondContact O-N 3.48Š|
| 137 | T | 80.9 | Confident | 81.4 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | trans | -89.4 | -5.8 | -179.1 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | I108 A109 P131 N132 V135 R155 | I108-T137 WeakPolarHBondContact CA-O 3.32Å; A109-T137 PolarHBondContact N-O 2.85Å; P131-T137 VanDerWaalsContact CA-OG1 3.28Å; P131-T137 WeakPolarHBondContact CA-OG1 3.37Å; N132-T137 PolarHBondContact N-OG1 3.43Å; N132-T137 PolarHBondContact O-N 3.23Å; N132-T137 PolarHBondContact O-OG1 3.24Å; V135-T137 VanDerWaalsContact C-N 3.28Å; V135-T137 HydrophobicContact CG2-CG2 3.72Å; V135-T137 WeakPolarHBondContact CG2-OG1 3.17Å; V135-T137 PolarHBondContact O-N 2.94Å; T137-R155 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 138 | V | 85 | Confident | 81.9 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -111.7 | 104.5 | 166.9 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | A109 P111 M114 P131 P133 | A109-V138 VanDerWaalsContact O-CA 3.3Å; A109-V138 WeakPolarHBondContact O-CA 3.39Å; P111-V138 HydrophobicContact CG-CG1 4.42Å; M114-V138 HydrophobicContact CG-CG1 4.21Å; M114-V138 HydrophobicContact SD-CG1 4.15Å; M114-V138 HydrophobicContact SD-CG2 3.78Å; P131-V138 HydrophobicContact CB-CG2 3.53Å; P133-V138 HydrophobicContact CB-CB 4.43Å; P133-V138 HydrophobicContact CG-CB 3.97Å; P133-V138 HydrophobicContact CG-CG1 4.37Å; P133-V138 HydrophobicContact CG-CG2 4.25Å |
| 139 | T | 84.1 | Confident | 82.4 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | trans | -149.3 | 145.7 | -177.6 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | A109 N141 A145 | A109-T139 PolarHBondContact O-N 3.12Å; T139-N141 VanDerWaalsContact CG2-O 3.3Å; T139-N141 WeakPolarHBondContact CG2-O 3.23Å; T139-N141 PolarHBondContact O-N 3.09Å; T139-N141 PolarHBondContact OG1-N 3.26Å; T139-A145 HydrophobicContact CG2-CB 3.56Å | ||
| 140 | P | 84 | Confident | 82.5 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -64.5 | -28.6 | 166.3 | 27.3 | -34.1 | 0 | 0 | 0 | 112 | V142 | P140-V142 VanDerWaalsContact C-N 3.34Å; P140-V142 PolarHBondContact O-N 3.27Å; P140-V142 VanDerWaalsContact O-N 3.09Å |
| 141 | N | 86.2 | Confident | 82.5 | Confident | 100 Ų | 100 | 49.4 Ų | 49.4 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | trans | -86.2 | 70.9 | 178.2 | -98.3 | 2.5 | 0 | 0 | 0 | 111.8 | T139 A143 E144 A145 | T139-N141 VanDerWaalsContact CG2-O 3.3Å; T139-N141 WeakPolarHBondContact CG2-O 3.23Å; T139-N141 PolarHBondContact O-N 3.09Å; T139-N141 PolarHBondContact OG1-N 3.26Å; N141-A143 VanDerWaalsContact C-N 3.34Å; N141-A143 PolarHBondContact O-N 2.95Å; N141-E144 HydrophobicContact CB-CB 4.34Å; N141-E144 PolarHBondContact O-N 3.49Å; N141-A145 PolarHBondContact O-N 3.19Å | ||
| 142 | V | 86.5 | Confident | 82.4 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -39.6 | -175.2 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | V70 N76 A80 I108 P140 E144 A145 V146 | V70-V142 HydrophobicContact CB-CG1 4.43Å; V70-V142 HydrophobicContact CG1-CG1 3.22Å; V70-V142 HydrophobicContact CG2-CG1 4.36Å; N76-V142 HydrophobicContact CB-CG2 4.14Å; A80-V142 HydrophobicContact CB-CG1 3.86Å; I108-V142 HydrophobicContact CG2-CG1 4.28Å; P140-V142 VanDerWaalsContact C-N 3.34Å; P140-V142 PolarHBondContact O-N 3.27Å; P140-V142 VanDerWaalsContact O-N 3.09Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 2.6Å; V142-A145 PolarHBondContact O-N 3.07Å; V142-V146 HydrophobicContact CG1-CG2 4.32Å; V142-V146 VanDerWaalsContact O-CG2 3.3Å; V142-V146 WeakPolarHBondContact O-CG2 3.28Å; V142-V146 PolarHBondContact O-N 3.06Å |
| 143 | A | 86 | Confident | 82.3 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 26% | 0.256 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A79 A83 N141 V146 K147 | A79-A143 HydrophobicContact CB-CB 4.13Å; A83-A143 HydrophobicContact CB-CB 4.11Å; N141-A143 VanDerWaalsContact C-N 3.34Å; N141-A143 PolarHBondContact O-N 2.95Å; A143-V146 PolarHBondContact O-N 2.66Å; A143-K147 WeakPolarHBondContact O-CG 3.35Å; A143-K147 PolarHBondContact O-N 3.47Å |
| 144 | E | 86.4 | Confident | 82.4 | Confident | 106 Ų | 106 | 46.4 Ų | 46.4 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 177.5 | -169.5 | -175.3 | 168 | 0 | 0 | 111 | N141 V142 V146 K147 N148 | N141-E144 HydrophobicContact CB-CB 4.34Å; N141-E144 PolarHBondContact O-N 3.49Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 2.6Å; E144-V146 VanDerWaalsContact C-N 3.32Å; E144-V146 PolarHBondContact O-N 3.08Å; E144-K147 PolarHBondContact O-N 2.86Å; E144-N148 WeakPolarHBondContact O-CB 3.3Å; E144-N148 VanDerWaalsContact O-CG 3.24Å; E144-N148 PolarHBondContact O-N 3.09Å; E144-N148 PolarHBondContact O-ND2 3.46Å |
| 145 | A | 85.2 | Confident | 82.9 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I108 T139 N141 V142 N148 A149 | I108-A145 VanDerWaalsContact CD1-C 3.44Å; I108-A145 HydrophobicContact CD1-CB 3.92Å; I108-A145 WeakPolarHBondContact CD1-O 3.24Å; I108-A145 HydrophobicContact CG2-CB 3.84Å; T139-A145 HydrophobicContact CG2-CB 3.56Å; N141-A145 PolarHBondContact O-N 3.19Å; V142-A145 PolarHBondContact O-N 3.07Å; A145-N148 PolarHBondContact O-N 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 2.87Å |
| 146 | V | 87.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 174.9 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | V68 V70 A83 A85 I108 V142 A143 E144 N148 A149 K150 | V68-V146 HydrophobicContact CG1-CG1 4.42Å; V68-V146 HydrophobicContact CG1-CG2 4.13Å; V70-V146 HydrophobicContact CG2-CG2 3.55Å; A83-V146 HydrophobicContact CB-CB 3.81Å; A83-V146 HydrophobicContact CB-CG1 3.76Å; A83-V146 WeakPolarHBondContact O-CG1 3.11Å; A85-V146 HydrophobicContact CB-CG1 4.23Å; A85-V146 HydrophobicContact CB-CG2 4.28Å; I108-V146 HydrophobicContact CD1-CB 4.38Å; I108-V146 HydrophobicContact CD1-CG2 3.86Å; V142-V146 HydrophobicContact CG1-CG2 4.32Å; V142-V146 VanDerWaalsContact O-CG2 3.3Å; V142-V146 WeakPolarHBondContact O-CG2 3.28Å; V142-V146 PolarHBondContact O-N 3.06Å; A143-V146 PolarHBondContact O-N 2.66Å; E144-V146 VanDerWaalsContact C-N 3.32Å; E144-V146 PolarHBondContact O-N 3.08Å; V146-N148 PolarHBondContact O-N 3.25Å; V146-A149 PolarHBondContact O-N 2.86Å; V146-K150 HydrophobicContact CG1-CD 4.45Å; V146-K150 WeakPolarHBondContact O-CG 3.43Å; V146-K150 PolarHBondContact O-N 2.88Å |
| 147 | K | 85.8 | Confident | 83.7 | Confident | 138 Ų | 138 | 48.5 Ų | 48.5 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.3 | -45.9 | 176.3 | -75 | -179.6 | 179.8 | -177.7 | 0 | 111.8 | A83 A143 E144 K150 A151 | A83-K147 HydrophobicContact CB-CG 4.38Å; A143-K147 WeakPolarHBondContact O-CG 3.35Å; A143-K147 PolarHBondContact O-N 3.47Å; E144-K147 PolarHBondContact O-N 2.86Å; K147-K150 PolarHBondContact O-N 3.42Å; K147-A151 VanDerWaalsContact O-CB 3.27Å; K147-A151 WeakPolarHBondContact O-CB 3.3Å; K147-A151 PolarHBondContact O-N 3.45Å |
| 148 | N | 85.1 | Confident | 84 | Confident | 52 Ų | 52 | 48.8 Ų | 48.8 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 178.4 | -70.3 | -19.5 | 0 | 0 | 0 | 111.6 | V57 E144 A145 V146 K150 A151 Q153 | V57-N148 HydrophobicContact CG2-CB 4.08Å; E144-N148 WeakPolarHBondContact O-CB 3.3Å; E144-N148 VanDerWaalsContact O-CG 3.24Å; E144-N148 PolarHBondContact O-N 3.09Å; E144-N148 PolarHBondContact O-ND2 3.46Å; A145-N148 PolarHBondContact O-N 3.28Å; V146-N148 PolarHBondContact O-N 3.25Å; N148-K150 VanDerWaalsContact C-N 3.31Å; N148-K150 PolarHBondContact O-N 3.38Å; N148-A151 PolarHBondContact O-N 3.36Å; N148-Q153 WeakPolarHBondContact O-CB 3.27Å; N148-Q153 PolarHBondContact O-N 3.25Å; N148-Q153 VanDerWaalsContact O-N 3.13Å |
| 149 | A | 84.1 | Confident | 84.1 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.1 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V68 V106 I108 A145 V146 G152 | V68-A149 HydrophobicContact CG2-CB 3.99Å; V106-A149 HydrophobicContact CG1-CB 3.94Å; I108-A149 HydrophobicContact CD1-CB 4.1Å; A145-A149 WeakPolarHBondContact O-CB 3.39Å; A145-A149 PolarHBondContact O-N 2.87Å; V146-A149 PolarHBondContact O-N 2.86Å; A149-G152 PolarHBondContact O-N 3.46Å |
| 150 | K | 81.8 | Confident | 84.1 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 37% | 0.365 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.8 | -29.6 | 177.5 | -71.4 | -164.3 | 166.6 | -144 | 0 | 113.8 | V68 G84 E86 V146 K147 N148 G152 | V68-K150 HydrophobicContact CG2-CG 4.06Å; G84-K150 WeakPolarHBondContact O-CE 3.31Å; G84-K150 PolarHBondContact O-NZ 3Å; E86-K150 IonicContact OE1-NZ 3.72Å; E86-K150 PolarHBondContact OE1-NZ 2.95Å; E86-K150 IonicContact OE2-NZ 3.38Å; V146-K150 HydrophobicContact CG1-CD 4.45Å; V146-K150 WeakPolarHBondContact O-CG 3.43Å; V146-K150 PolarHBondContact O-N 2.88Å; K147-K150 PolarHBondContact O-N 3.42Å; N148-K150 VanDerWaalsContact C-N 3.31Å; N148-K150 PolarHBondContact O-N 3.38Å; K150-G152 PolarHBondContact O-N 2.9Å; K150-G152 VanDerWaalsContact O-N 3.12Å |
| 151 | A | 80.7 | Confident | 84.2 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 39% | 0.388 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 1.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V57 G61 K147 N148 | V57-A151 HydrophobicContact CG1-CB 4.02Å; G61-A151 VanDerWaalsContact CA-O 3.31Å; G61-A151 WeakPolarHBondContact CA-O 3.46Å; K147-A151 VanDerWaalsContact O-CB 3.27Å; K147-A151 WeakPolarHBondContact O-CB 3.3Å; K147-A151 PolarHBondContact O-N 3.45Å; N148-A151 PolarHBondContact O-N 3.36Å |
| 152 | G | 76.8 | Confident | 84.1 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 37.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | A149 K150 V154 | A149-G152 PolarHBondContact O-N 3.46Å; K150-G152 PolarHBondContact O-N 2.9Å; K150-G152 VanDerWaalsContact O-N 3.12Å; G152-V154 PolarHBondContact O-N 3.33Å; G152-V154 VanDerWaalsContact O-N 3.13Å |
| 153 | Q | 78.9 | Confident | 84.3 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 115.9 | 170.6 | -173 | -178.3 | 25.1 | 0 | 0 | 110.9 | A55 T56 V57 V135 N148 | A55-Q153 HydrophobicContact CB-CG 3.86Å; T56-Q153 CarbonylContact O-C 3.59Å; T56-Q153 VanDerWaalsContact O-CA 3.23Å; T56-Q153 WeakPolarHBondContact O-CA 3.45Å; T56-Q153 WeakPolarHBondContact O-CG 3.37Å; V57-Q153 HydrophobicContact CG2-CB 4.21Å; V57-Q153 HydrophobicContact CG2-CG 4.24Å; V135-Q153 PolarHBondContact O-NE2 3.13Å; N148-Q153 WeakPolarHBondContact O-CB 3.27Å; N148-Q153 PolarHBondContact O-N 3.25Å; N148-Q153 VanDerWaalsContact O-N 3.13Å |
| 154 | V | 80.9 | Confident | 84.5 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125.5 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | A55 T56 L58 T62 G152 T166 T167 | A55-V154 VanDerWaalsContact CA-O 3.27Å; A55-V154 WeakPolarHBondContact CA-O 3.4Å; T56-V154 PolarHBondContact N-O 3.45Å; T56-V154 PolarHBondContact O-N 3.36Å; L58-V154 HydrophobicContact CD1-CG2 3.51Å; L58-V154 HydrophobicContact CG-CG2 3.89Å; T62-V154 HydrophobicContact CG2-CG2 3.59Å; G152-V154 PolarHBondContact O-N 3.33Å; G152-V154 VanDerWaalsContact O-N 3.13Å; V154-T166 HydrophobicContact CG1-CG2 3.5Å; V154-T167 WeakPolarHBondContact CG2-O 3.08Å |
| 155 | R | 82.6 | Confident | 84.6 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 25% | 0.249 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.3 | 174 | -58.4 | 173.4 | -167.8 | -179.8 | -0.2 | 108 | A55 T137 | A55-R155 HydrophobicContact CB-CG 4.35Å; T137-R155 VanDerWaalsContact CG2-CZ 3.49Å |
| 156 | Y | 85.9 | Confident | 84.8 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.4 | 174.6 | 53.8 | -85.4 | 0 | 0 | 0 | 110.1 | V52 R53 G54 T56 I164 L189 A192 | V52-Y156 HydrophobicContact CG1-CD2 4.08Å; V52-Y156 HydrophobicContact CG1-CE2 3.76Å; R53-Y156 WeakPolarHBondContact CA-O 3.45Å; G54-Y156 PolarHBondContact N-O 3.24Å; G54-Y156 VanDerWaalsContact N-O 3.13Å; G54-Y156 WeakPolarHBondContact O-CD1 3.4Å; G54-Y156 PolarHBondContact O-N 3.4Å; T56-Y156 HydrophobicContact CG2-CD1 3.81Å; T56-Y156 HydrophobicContact CG2-CE1 3.3Å; Y156-I164 HydrophobicContact CD2-CD1 3.81Å; Y156-I164 HydrophobicContact CG-CD1 4.48Å; Y156-I164 HydrophobicContact CG-CG2 4.4Å; Y156-L189 HydrophobicContact CD2-CD2 3.62Å; Y156-L189 HydrophobicContact CE2-CD2 3.56Å; Y156-L189 HydrophobicContact CG-CD2 4.12Å; Y156-A192 HydrophobicContact CE2-CB 4.23Å; Y156-A192 WeakPolarHBondContact OH-CB 3.5Å |
| 157 | R | 84.5 | Confident | 84.9 | Confident | 169 Ų | 169 | 56.7 Ų | 56.7 | 64% | 0.638 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 135.6 | 171.4 | -176.8 | -175 | 173.6 | 174.2 | -0.2 | 107.1 | ||
| 158 | N | 87 | Confident | 84.9 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 138.6 | 170.7 | 66.7 | -49.7 | 0 | 0 | 0 | 111.1 | I43 N51 V52 I163 I164 | I43-N158 HydrophobicContact CD1-CB 3.81Å; I43-N158 WeakPolarHBondContact CD1-ND2 3.32Å; N51-N158 PolarHBondContact OD1-ND2 2.92Å; V52-N158 PolarHBondContact N-OD1 3.26Å; V52-N158 PolarHBondContact O-N 3.12Å; V52-N158 VanDerWaalsContact O-N 3.11Å; V52-N158 PolarHBondContact O-OD1 3.14Å; V52-N158 VanDerWaalsContact O-OD1 3.12Å; N158-I163 WeakPolarHBondContact CA-O 3.43Å; N158-I164 HydrophobicContact CB-CG1 4.29Å |
| 159 | D | 87.3 | Confident | 85 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | trans | -76.6 | -173.9 | 169.7 | 79.1 | -9.8 | 0 | 0 | 0 | 111.3 | A45 N161 G162 I163 | A45-D159 VanDerWaalsContact CB-O 3.26Å; A45-D159 WeakPolarHBondContact CB-O 3.19Å; D159-N161 PolarHBondContact O-N 3.21Å; D159-N161 VanDerWaalsContact OD1-C 3.26Å; D159-N161 VanDerWaalsContact OD1-CA 3.28Å; D159-N161 WeakPolarHBondContact OD1-CA 3.39Å; D159-N161 WeakPolarHBondContact OD1-CB 3.48Å; D159-N161 PolarHBondContact OD1-N 3.33Å; D159-G162 PolarHBondContact O-N 2.95Å; D159-G162 PolarHBondContact OD1-N 2.81Å; D159-I163 PolarHBondContact N-O 3.03Å; D159-I163 PolarHBondContact OD1-N 2.71Å | ||
| 160 | K | 83.6 | Confident | 85.1 | Confident | 194 Ų | 194 | 50.4 Ų | 50.4 | 84% | 0.843 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.5 | 177.4 | -64.2 | -178.4 | -178.2 | 177.9 | 0 | 113.7 | A45 | A45-K160 WeakPolarHBondContact CB-O 3.21Š|
| 161 | N | 85.4 | Confident | 85.2 | Confident | 121 Ų | 121 | 47.4 Ų | 47.4 | 65% | 0.647 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -0.5 | -179.7 | -61 | -37 | 0 | 0 | 0 | 112.6 | D159 I163 | D159-N161 PolarHBondContact O-N 3.21Å; D159-N161 VanDerWaalsContact OD1-C 3.26Å; D159-N161 VanDerWaalsContact OD1-CA 3.28Å; D159-N161 WeakPolarHBondContact OD1-CA 3.39Å; D159-N161 WeakPolarHBondContact OD1-CB 3.48Å; D159-N161 PolarHBondContact OD1-N 3.33Å; N161-I163 HydrophobicContact CB-CD1 4.29Å; N161-I163 HydrophobicContact CB-CG1 4.23Å |
| 162 | G | 84.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 80.4 | 16.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | L41 D159 | L41-G162 WeakPolarHBondContact CA-O 3.47Å; L41-G162 WeakPolarHBondContact CB-O 3.47Å; L41-G162 PolarHBondContact N-O 3.32Å; D159-G162 PolarHBondContact O-N 2.95Å; D159-G162 PolarHBondContact OD1-N 2.81Å |
| 163 | I | 90.4 | Very high | 85.8 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.7 | 176.8 | -52.7 | 175.1 | 0 | 0 | 0 | 109.3 | A38 V39 N40 N158 D159 N161 | A38-I163 HydrophobicContact CB-CG2 4.13Å; V39-I163 WeakPolarHBondContact O-CA 3.27Å; N40-I163 HydrophobicContact CB-CG1 4.49Å; N158-I163 WeakPolarHBondContact CA-O 3.43Å; D159-I163 PolarHBondContact N-O 3.03Å; D159-I163 PolarHBondContact OD1-N 2.71Å; N161-I163 HydrophobicContact CB-CD1 4.29Å; N161-I163 HydrophobicContact CB-CG1 4.23Å |
| 164 | I | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.4 | 169.9 | -72.6 | 177.7 | 0 | 0 | 0 | 108.6 | A38 V39 L41 V52 Y156 N158 T166 L189 | A38-I164 CarbonylContact C-O 3.52Å; A38-I164 WeakPolarHBondContact CA-O 3.31Å; V39-I164 HydrophobicContact CB-CB 4.47Å; V39-I164 PolarHBondContact N-O 2.84Å; V39-I164 PolarHBondContact O-N 2.86Å; L41-I164 HydrophobicContact CD1-CD1 3.38Å; L41-I164 HydrophobicContact CD1-CG1 3.93Å; L41-I164 HydrophobicContact CG-CD1 4.17Å; L41-I164 HydrophobicContact CG-CG1 4.46Å; V52-I164 HydrophobicContact CB-CD1 4.37Å; V52-I164 HydrophobicContact CG1-CD1 3.93Å; Y156-I164 HydrophobicContact CD2-CD1 3.81Å; Y156-I164 HydrophobicContact CG-CD1 4.48Å; Y156-I164 HydrophobicContact CG-CG2 4.4Å; N158-I164 HydrophobicContact CB-CG1 4.29Å; I164-T166 HydrophobicContact CG2-CG2 3.8Å; I164-L189 HydrophobicContact CD1-CD1 4.41Å; I164-L189 HydrophobicContact CD1-CD2 3.38Å |
| 165 | H | 89.9 | Confident | 86.3 | Confident | 114 Ų | 114 | 55.4 Ų | 55.4 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.1 | 173.8 | -60 | -76.6 | 0 | 0 | 0 | 109.8 | V37 | V37-H165 WeakPolarHBondContact O-CA 3.38Å |
| 166 | T | 88.1 | Confident | 86.5 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 140 | -177.1 | 45.8 | 0 | 0 | 0 | 0 | 111.1 | V37 V154 I164 L185 | V37-T166 PolarHBondContact N-O 2.75Å; V37-T166 PolarHBondContact O-N 2.85Å; V37-T166 PolarHBondContact O-OG1 2.73Å; V154-T166 HydrophobicContact CG1-CG2 3.5Å; I164-T166 HydrophobicContact CG2-CG2 3.8Å; T166-L185 HydrophobicContact CG2-CD1 3.96Å; T166-L185 WeakPolarHBondContact OG1-CD1 3.27Å |
| 167 | T | 89.3 | Confident | 86.6 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.6 | 171.7 | -52.1 | 0 | 0 | 0 | 0 | 109.6 | D36 V154 | D36-T167 WeakPolarHBondContact OD1-CA 3.07Å; D36-T167 VanDerWaalsContact OD1-CB 3.27Å; D36-T167 WeakPolarHBondContact OD1-CB 3.3Å; D36-T167 WeakPolarHBondContact OD1-CG2 3.42Å; D36-T167 PolarHBondContact OD1-OG1 3.12Å; V154-T167 WeakPolarHBondContact CG2-O 3.08Å |
| 168 | I | 86.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -9.7 | 179.4 | 60 | 166.6 | 0 | 0 | 0 | 113.4 | V35 V37 L178 N181 L182 L185 | V35-I168 HydrophobicContact CB-CG1 4.16Å; V35-I168 HydrophobicContact CG1-CD1 3.91Å; V35-I168 HydrophobicContact CG1-CG1 3.84Å; V35-I168 WeakPolarHBondContact O-CG1 3.39Å; V35-I168 PolarHBondContact O-N 3.36Å; V37-I168 HydrophobicContact CB-CG2 4.31Å; V37-I168 HydrophobicContact CG2-CB 4.22Å; V37-I168 HydrophobicContact CG2-CD1 3.58Å; V37-I168 HydrophobicContact CG2-CG1 3.73Å; V37-I168 HydrophobicContact CG2-CG2 3.51Å; I168-L178 HydrophobicContact CD1-CD2 4.33Å; I168-L178 HydrophobicContact CG1-CD2 4.3Å; I168-N181 HydrophobicContact CB-CB 4.26Å; I168-N181 PolarHBondContact O-ND2 3.41Å; I168-L182 HydrophobicContact CD1-CB 4.21Å; I168-L182 HydrophobicContact CD1-CD1 4.24Å; I168-L185 HydrophobicContact CG2-CD1 4.05Å |
| 169 | G | 87 | Confident | 86.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -161.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V35 | V35-G169 PolarHBondContact N-O 2.8Å |
| 170 | K | 86.2 | Confident | 86.6 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 27% | 0.265 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 156.5 | 174.4 | -77.1 | 177.2 | 168 | 178.2 | 0 | 110 | V32 E33 G63 D172 F173 | V32-K170 HydrophobicContact CG1-CB 3.82Å; V32-K170 HydrophobicContact CG1-CD 3.94Å; V32-K170 HydrophobicContact CG1-CG 4.1Å; E33-K170 WeakPolarHBondContact O-CA 3.21Å; G63-K170 WeakPolarHBondContact O-CE 3.34Å; G63-K170 PolarHBondContact O-NZ 3.17Å; K170-D172 PolarHBondContact O-N 3.18Å; K170-F173 HydrophobicContact CB-CD1 4.18Å; K170-F173 HydrophobicContact CB-CE1 4.33Å; K170-F173 WeakPolarHBondContact O-CB 3.43Å; K170-F173 PolarHBondContact O-N 3.45Å |
| 171 | V | 84.2 | Confident | 86.9 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 12% | 0.121 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.9 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 112.7 | K24 A27 E33 V35 F173 T209 | K24-V171 HydrophobicContact CB-CG1 4.47Å; K24-V171 VanDerWaalsContact CE-O 3.3Å; K24-V171 WeakPolarHBondContact CE-O 3.45Å; K24-V171 HydrophobicContact CG-CG1 4.07Å; A27-V171 HydrophobicContact CB-CB 4.29Å; A27-V171 HydrophobicContact CB-CG1 3.62Å; A27-V171 HydrophobicContact CB-CG2 3.94Å; E33-V171 HydrophobicContact CB-CG2 3.75Å; E33-V171 WeakPolarHBondContact O-CG2 3.43Å; E33-V171 PolarHBondContact O-N 3.23Å; V35-V171 HydrophobicContact CG2-CG2 3.74Å; V171-F173 PolarHBondContact O-N 3.4Å; V171-T209 HydrophobicContact CG2-CG2 3.83Å |
| 172 | D | 84.8 | Confident | 86.9 | Confident | 120 Ų | 120 | 41.9 Ų | 41.9 | 64% | 0.642 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.2 | 174.9 | -179.1 | 20.7 | 0 | 0 | 0 | 113.5 | V32 K170 | V32-D172 HydrophobicContact CG1-CB 4.03Å; K170-D172 PolarHBondContact O-N 3.18Å |
| 173 | F | 84.7 | Confident | 87 | Confident | 36 Ų | 36 | 43.8 Ų | 43.8 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -67.4 | 144.6 | -178.4 | -76.5 | 16.4 | 0 | 0 | 0 | 111.6 | K24 H60 K170 V171 K177 L178 | K24-F173 WeakPolarHBondContact CE-O 3.44Å; K24-F173 PolarHBondContact NZ-O 3.05Å; H60-F173 HydrophobicContact CB-CE2 4.37Å; H60-F173 WeakPolarHBondContact O-CE2 3.09Å; K170-F173 HydrophobicContact CB-CD1 4.18Å; K170-F173 HydrophobicContact CB-CE1 4.33Å; K170-F173 WeakPolarHBondContact O-CB 3.43Å; K170-F173 PolarHBondContact O-N 3.45Å; V171-F173 PolarHBondContact O-N 3.4Å; F173-K177 HydrophobicContact CB-CB 4.47Å; F173-L178 HydrophobicContact CB-CD1 4.43Å; F173-L178 HydrophobicContact CB-CD2 4.02Å; F173-L178 HydrophobicContact CB-CG 3.89Å; F173-L178 HydrophobicContact CD2-CD2 4.4Å |
| 174 | D | 86.1 | Confident | 86.8 | Confident | 84 Ų | 84 | 43.3 Ų | 43.3 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | trans | -55.4 | 149.6 | 172.6 | -59.4 | -51.2 | 0 | 0 | 0 | 111.1 | D176 K177 L178 | D174-D176 PolarHBondContact O-N 2.86Å; D174-K177 HydrophobicContact CB-CB 4.49Å; D174-K177 HydrophobicContact CB-CD 4.16Å; D174-K177 HydrophobicContact CB-CG 4.15Å; D174-K177 PolarHBondContact O-N 2.96Å; D174-K177 VanDerWaalsContact O-N 3.14Å; D174-K177 WeakPolarHBondContact OD2-CE 3.39Å; D174-K177 IonicContact OD2-NZ 2.68Å; D174-K177 PolarHBondContact OD2-NZ 3.13Å; D174-L178 PolarHBondContact O-N 3.14Å; D174-L178 VanDerWaalsContact O-N 3.14Å | ||
| 175 | A | 85.3 | Confident | 86.6 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 28% | 0.281 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.3 | -38.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I20 K177 L178 K179 | I20-A175 WeakPolarHBondContact CD1-O 3.2Å; I20-A175 HydrophobicContact CG2-CB 3.84Å; A175-K177 PolarHBondContact O-N 3.19Å; A175-L178 PolarHBondContact O-N 3.23Å; A175-K179 WeakPolarHBondContact O-CB 3.31Å; A175-K179 PolarHBondContact O-N 2.84Å |
| 176 | D | 86.3 | Confident | 86.4 | Confident | 107 Ų | 107 | 38.2 Ų | 38.2 | 57% | 0.572 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.2 | -41.7 | 176.8 | -59 | -36 | 0 | 0 | 0 | 111.9 | D174 L178 K179 E180 | D174-D176 PolarHBondContact O-N 2.86Å; D176-L178 PolarHBondContact O-N 2.95Å; D176-K179 WeakPolarHBondContact O-CB 3.32Å; D176-K179 PolarHBondContact O-N 2.89Å; D176-E180 WeakPolarHBondContact O-CG 3.33Å; D176-E180 PolarHBondContact O-N 2.84Å |
| 177 | K | 87.4 | Confident | 86.3 | Confident | 78 Ų | 78 | 39.8 Ų | 39.8 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.9 | -67.8 | 178.4 | 177.1 | 146.5 | 0 | 112.1 | H60 F173 D174 A175 N181 | H60-K177 HydrophobicContact CB-CB 4.11Å; H60-K177 HydrophobicContact CB-CG 4.38Å; H60-K177 PolarHBondContact CD2-O 3.29Å; F173-K177 HydrophobicContact CB-CB 4.47Å; D174-K177 HydrophobicContact CB-CB 4.49Å; D174-K177 HydrophobicContact CB-CD 4.16Å; D174-K177 HydrophobicContact CB-CG 4.15Å; D174-K177 PolarHBondContact O-N 2.96Å; D174-K177 VanDerWaalsContact O-N 3.14Å; D174-K177 WeakPolarHBondContact OD2-CE 3.39Å; D174-K177 IonicContact OD2-NZ 2.68Å; D174-K177 PolarHBondContact OD2-NZ 3.13Å; A175-K177 PolarHBondContact O-N 3.19Å; K177-N181 WeakPolarHBondContact O-CB 3.38Å; K177-N181 VanDerWaalsContact O-CG 3.29Å; K177-N181 PolarHBondContact O-N 2.52Å |
| 178 | L | 85.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -39.2 | 176.8 | -71.8 | 174.9 | 0 | 0 | 0 | 111.5 | I20 V35 I168 F173 D174 A175 D176 N181 L182 | I20-L178 HydrophobicContact CD1-CB 3.8Å; I20-L178 HydrophobicContact CG1-CB 4.39Å; I20-L178 HydrophobicContact CG2-CD1 3.82Å; V35-L178 HydrophobicContact CB-CD2 4.37Å; V35-L178 HydrophobicContact CG2-CD1 4.3Å; V35-L178 HydrophobicContact CG2-CD2 4.39Å; I168-L178 HydrophobicContact CD1-CD2 4.33Å; I168-L178 HydrophobicContact CG1-CD2 4.3Å; F173-L178 HydrophobicContact CB-CD1 4.43Å; F173-L178 HydrophobicContact CB-CD2 4.02Å; F173-L178 HydrophobicContact CB-CG 3.89Å; F173-L178 HydrophobicContact CD2-CD2 4.4Å; D174-L178 PolarHBondContact O-N 3.14Å; D174-L178 VanDerWaalsContact O-N 3.14Å; A175-L178 PolarHBondContact O-N 3.23Å; D176-L178 PolarHBondContact O-N 2.95Å; L178-N181 PolarHBondContact O-N 3.24Å; L178-L182 WeakPolarHBondContact O-CB 2.94Å; L178-L182 PolarHBondContact O-N 3.28Å |
| 179 | K | 86.1 | Confident | 86.1 | Confident | 57 Ų | 57 | 39.5 Ų | 39.5 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -51.1 | 174.8 | 179.2 | 178.2 | 174.5 | -174.1 | 0 | 111.4 | I16 I20 A175 D176 N181 L182 E183 | I16-K179 HydrophobicContact CD1-CG 4.26Å; I16-K179 HydrophobicContact CG2-CB 4.12Å; I16-K179 HydrophobicContact CG2-CG 4.12Å; I20-K179 HydrophobicContact CD1-CB 4.41Å; A175-K179 WeakPolarHBondContact O-CB 3.31Å; A175-K179 PolarHBondContact O-N 2.84Å; D176-K179 WeakPolarHBondContact O-CB 3.32Å; D176-K179 PolarHBondContact O-N 2.89Å; K179-N181 VanDerWaalsContact C-N 3.33Å; K179-N181 PolarHBondContact O-N 2.99Å; K179-L182 PolarHBondContact O-N 3.15Å; K179-L182 VanDerWaalsContact O-N 3.12Å; K179-E183 WeakPolarHBondContact CE-OE1 3.45Å; K179-E183 WeakPolarHBondContact O-CG 3.49Å; K179-E183 PolarHBondContact O-N 3.39Å |
| 180 | E | 87.9 | Confident | 86 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 43% | 0.425 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 178.6 | -73.6 | -179.2 | -158.8 | 0 | 0 | 112.2 | P59 H60 D176 L182 E183 A184 | P59-E180 HydrophobicContact CG-CB 4.43Å; H60-E180 IonicContact CD2-OE2 2.75Å; H60-E180 IonicContact CE1-OE2 2.73Å; H60-E180 PolarHBondContact CE1-OE2 3.08Å; H60-E180 IonicContact NE2-OE2 2.93Å; H60-E180 PolarHBondContact NE2-OE2 3.5Å; D176-E180 WeakPolarHBondContact O-CG 3.33Å; D176-E180 PolarHBondContact O-N 2.84Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 2.91Å; E180-E183 PolarHBondContact O-N 3.04Å; E180-A184 WeakPolarHBondContact O-CB 2.99Å; E180-A184 PolarHBondContact O-N 2.96Å |
| 181 | N | 89.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 174.3 | -79.7 | -8 | 0 | 0 | 0 | 112 | L58 P59 H60 G61 I168 K177 L178 K179 L185 | L58-N181 HydrophobicContact CD1-CB 4.48Å; L58-N181 HydrophobicContact CD2-CB 4.13Å; L58-N181 WeakPolarHBondContact CD2-O 3.05Å; P59-N181 WeakPolarHBondContact CD-OD1 3.31Å; P59-N181 VanDerWaalsContact CG-OD1 3.32Å; P59-N181 WeakPolarHBondContact CG-OD1 3.37Å; H60-N181 PolarHBondContact CD2-OD1 3.23Å; H60-N181 PolarHBondContact N-OD1 3.05Å; G61-N181 PolarHBondContact O-ND2 2.89Å; G61-N181 VanDerWaalsContact O-ND2 3.14Å; I168-N181 HydrophobicContact CB-CB 4.26Å; I168-N181 PolarHBondContact O-ND2 3.41Å; K177-N181 WeakPolarHBondContact O-CB 3.38Å; K177-N181 VanDerWaalsContact O-CG 3.29Å; K177-N181 PolarHBondContact O-N 2.52Å; L178-N181 PolarHBondContact O-N 3.24Å; K179-N181 VanDerWaalsContact C-N 3.33Å; K179-N181 PolarHBondContact O-N 2.99Å; N181-L185 WeakPolarHBondContact O-CB 3.41Å; N181-L185 PolarHBondContact O-N 3.29Å; N181-L185 VanDerWaalsContact O-N 3.08Å |
| 182 | L | 85.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 177.4 | -169.6 | 152.1 | 0 | 0 | 0 | 111.5 | V37 I168 L178 K179 E180 L185 L186 I207 L222 | V37-L182 HydrophobicContact CG2-CD1 4.2Å; I168-L182 HydrophobicContact CD1-CB 4.21Å; I168-L182 HydrophobicContact CD1-CD1 4.24Å; L178-L182 WeakPolarHBondContact O-CB 2.94Å; L178-L182 PolarHBondContact O-N 3.28Å; K179-L182 PolarHBondContact O-N 3.15Å; K179-L182 VanDerWaalsContact O-N 3.12Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 2.91Å; L182-L185 WeakPolarHBondContact O-CB 3.07Å; L182-L185 PolarHBondContact O-N 3.23Å; L182-L186 HydrophobicContact CD2-CD1 3.54Å; L182-L186 HydrophobicContact CD2-CG 3.89Å; L182-L186 WeakPolarHBondContact O-CG 3.3Å; L182-L186 PolarHBondContact O-N 2.92Å; L182-I207 HydrophobicContact CD1-CD1 3.25Å; L182-I207 HydrophobicContact CD1-CG1 3.87Å; L182-L222 HydrophobicContact CD2-CD1 3.77Å; L182-L222 HydrophobicContact CD2-CD2 3.6Å; L182-L222 HydrophobicContact CD2-CG 4.27Å |
| 183 | E | 86.6 | Confident | 85.7 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.9 | -47.8 | 175 | -77.8 | 177.5 | -176.4 | 0 | 0 | 111.7 | K179 E180 L185 L186 V187 L222 | K179-E183 WeakPolarHBondContact CE-OE1 3.45Å; K179-E183 WeakPolarHBondContact O-CG 3.49Å; K179-E183 PolarHBondContact O-N 3.39Å; E180-E183 PolarHBondContact O-N 3.04Å; E183-L185 VanDerWaalsContact C-N 3.27Å; E183-L185 PolarHBondContact O-N 2.72Å; E183-L186 PolarHBondContact O-N 2.97Å; E183-L186 VanDerWaalsContact O-N 3.17Å; E183-V187 WeakPolarHBondContact O-CG2 3.49Å; E183-V187 PolarHBondContact O-N 3.35Å; E183-L222 HydrophobicContact CB-CD2 4.48Å; E183-L222 HydrophobicContact CG-CD2 3.42Å; E183-L222 VanDerWaalsContact CG-CD2 3.42Å |
| 184 | A | 86.6 | Confident | 85.5 | Confident | 31 Ų | 31 | 47 Ų | 47 | 26% | 0.256 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P59 E180 A188 | P59-A184 HydrophobicContact CG-CB 4.33Å; E180-A184 WeakPolarHBondContact O-CB 2.99Å; E180-A184 PolarHBondContact O-N 2.96Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.09Å |
| 185 | L | 85.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 175.9 | -173.9 | 146.1 | 0 | 0 | 0 | 111.9 | V39 L58 T166 I168 N181 L182 E183 A188 L189 | V39-L185 HydrophobicContact CG2-CD2 4.19Å; L58-L185 HydrophobicContact CD2-CB 4.48Å; T166-L185 HydrophobicContact CG2-CD1 3.96Å; T166-L185 WeakPolarHBondContact OG1-CD1 3.27Å; I168-L185 HydrophobicContact CG2-CD1 4.05Å; N181-L185 WeakPolarHBondContact O-CB 3.41Å; N181-L185 PolarHBondContact O-N 3.29Å; N181-L185 VanDerWaalsContact O-N 3.08Å; L182-L185 WeakPolarHBondContact O-CB 3.07Å; L182-L185 PolarHBondContact O-N 3.23Å; E183-L185 VanDerWaalsContact C-N 3.27Å; E183-L185 PolarHBondContact O-N 2.72Å; L185-A188 PolarHBondContact O-N 3.44Å; L185-L189 HydrophobicContact CD2-CD1 3.53Å; L185-L189 HydrophobicContact CD2-CG 3.99Å; L185-L189 WeakPolarHBondContact O-CG 3.08Å; L185-L189 PolarHBondContact O-N 3.15Å |
| 186 | L | 85.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 179.7 | -69.2 | -173.4 | 0 | 0 | 0 | 112.5 | V39 L182 E183 A188 L189 K190 I202 V205 L222 | V39-L186 HydrophobicContact CG2-CD2 4.37Å; L182-L186 HydrophobicContact CD2-CD1 3.54Å; L182-L186 HydrophobicContact CD2-CG 3.89Å; L182-L186 WeakPolarHBondContact O-CG 3.3Å; L182-L186 PolarHBondContact O-N 2.92Å; E183-L186 PolarHBondContact O-N 2.97Å; E183-L186 VanDerWaalsContact O-N 3.17Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.03Å; L186-L189 HydrophobicContact CD2-CD1 4.43Å; L186-L189 PolarHBondContact O-N 3.37Å; L186-K190 WeakPolarHBondContact O-CG 3.41Å; L186-K190 PolarHBondContact O-N 3.33Å; L186-I202 HydrophobicContact CD2-CD1 4.23Å; L186-V205 HydrophobicContact CD2-CG2 4.19Å; L186-L222 HydrophobicContact CD1-CB 4.34Å; L186-L222 HydrophobicContact CD1-CD1 3.52Å; L186-L222 HydrophobicContact CD1-CD2 3.78Å; L186-L222 HydrophobicContact CD1-CG 4.01Å |
| 187 | V | 86.4 | Confident | 84.3 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.5 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | E183 L189 K190 K191 A224 V226 | E183-V187 WeakPolarHBondContact O-CG2 3.49Å; E183-V187 PolarHBondContact O-N 3.35Å; V187-L189 PolarHBondContact O-N 3.36Å; V187-K190 PolarHBondContact O-N 3.42Å; V187-K191 HydrophobicContact CG1-CD 4.45Å; V187-K191 WeakPolarHBondContact O-CG 3.34Å; V187-K191 PolarHBondContact O-N 2.8Å; V187-A224 HydrophobicContact CG2-CB 4.15Å; V187-V226 HydrophobicContact CG1-CG2 4.46Å |
| 188 | A | 85.5 | Confident | 83.6 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T56 A184 L185 L186 K191 A192 | T56-A188 HydrophobicContact CG2-CB 3.32Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.09Å; L185-A188 PolarHBondContact O-N 3.44Å; L186-A188 VanDerWaalsContact C-N 3.33Å; L186-A188 PolarHBondContact O-N 3.03Å; A188-K191 PolarHBondContact O-N 3.11Å; A188-A192 WeakPolarHBondContact O-CB 3.35Å; A188-A192 PolarHBondContact O-N 3.41Å |
| 189 | L | 85 | Confident | 83.3 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 174.8 | -72.4 | -175.8 | 0 | 0 | 0 | 112 | V39 Y156 I164 L185 L186 V187 K191 A192 K193 Y201 | V39-L189 HydrophobicContact CB-CD1 4.03Å; V39-L189 HydrophobicContact CG1-CD1 3.88Å; V39-L189 HydrophobicContact CG2-CD1 3.94Å; Y156-L189 HydrophobicContact CD2-CD2 3.62Å; Y156-L189 HydrophobicContact CE2-CD2 3.56Å; Y156-L189 HydrophobicContact CG-CD2 4.12Å; I164-L189 HydrophobicContact CD1-CD1 4.41Å; I164-L189 HydrophobicContact CD1-CD2 3.38Å; L185-L189 HydrophobicContact CD2-CD1 3.53Å; L185-L189 HydrophobicContact CD2-CG 3.99Å; L185-L189 WeakPolarHBondContact O-CG 3.08Å; L185-L189 PolarHBondContact O-N 3.15Å; L186-L189 HydrophobicContact CD2-CD1 4.43Å; L186-L189 PolarHBondContact O-N 3.37Å; V187-L189 PolarHBondContact O-N 3.36Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 2.83Å; L189-A192 CarbonylContact O-C 3.59Å; L189-A192 PolarHBondContact O-N 3.37Å; L189-A192 VanDerWaalsContact O-N 3.16Å; L189-K193 PolarHBondContact O-N 3.22Å; L189-Y201 HydrophobicContact CB-CE1 4.44Å; L189-Y201 WeakPolarHBondContact O-CE1 3.41Å; L189-Y201 PolarHBondContact O-OH 3.27Å |
| 190 | K | 84.6 | Confident | 83.1 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 38% | 0.378 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 175.3 | -74.8 | -177.4 | -175.7 | -171.1 | 0 | 111.4 | L186 V187 A192 K193 I202 A224 V226 | L186-K190 WeakPolarHBondContact O-CG 3.41Å; L186-K190 PolarHBondContact O-N 3.33Å; V187-K190 PolarHBondContact O-N 3.42Å; K190-A192 VanDerWaalsContact C-N 3.32Å; K190-K193 WeakPolarHBondContact O-CB 3.43Å; K190-K193 PolarHBondContact O-N 2.71Å; K190-I202 HydrophobicContact CG-CD1 4.2Å; K190-A224 HydrophobicContact CD-CB 4.21Å; K190-A224 PolarHBondContact NZ-O 3.13Å; K190-V226 HydrophobicContact CD-CG2 4.36Å |
| 191 | K | 84.1 | Confident | 82.9 | Confident | 157 Ų | 157 | 55.9 Ų | 55.9 | 68% | 0.683 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.5 | -33.1 | 174.8 | -72.1 | -178.2 | 179 | -176.8 | 0 | 112.6 | V187 A188 L189 K193 | V187-K191 HydrophobicContact CG1-CD 4.45Å; V187-K191 WeakPolarHBondContact O-CG 3.34Å; V187-K191 PolarHBondContact O-N 2.8Å; A188-K191 PolarHBondContact O-N 3.11Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 2.83Å; K191-K193 PolarHBondContact O-N 2.91Å |
| 192 | A | 83.2 | Confident | 82.6 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 9.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | V52 Y156 A188 L189 K190 P194 | V52-A192 HydrophobicContact CG1-CB 4.17Å; Y156-A192 HydrophobicContact CE2-CB 4.23Å; Y156-A192 WeakPolarHBondContact OH-CB 3.5Å; A188-A192 WeakPolarHBondContact O-CB 3.35Å; A188-A192 PolarHBondContact O-N 3.41Å; L189-A192 CarbonylContact O-C 3.59Å; L189-A192 PolarHBondContact O-N 3.37Å; L189-A192 VanDerWaalsContact O-N 3.16Å; K190-A192 VanDerWaalsContact C-N 3.32Å; A192-P194 VanDerWaalsContact O-CD 3.32Å; A192-P194 WeakPolarHBondContact O-CD 3.35Å |
| 193 | K | 81.3 | Confident | 82.5 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | trans | -61.1 | 121.2 | -179.5 | 179.9 | 178.7 | 177.5 | -175.1 | 0 | 110.7 | L189 K190 K191 A197 Y201 | L189-K193 PolarHBondContact O-N 3.22Å; K190-K193 WeakPolarHBondContact O-CB 3.43Å; K190-K193 PolarHBondContact O-N 2.71Å; K191-K193 PolarHBondContact O-N 2.91Å; K193-A197 HydrophobicContact CG-CB 4.42Å; K193-Y201 HydrophobicContact CB-CD1 4.31Å; K193-Y201 HydrophobicContact CB-CD2 4.39Å; K193-Y201 HydrophobicContact CB-CE1 4.16Å; K193-Y201 HydrophobicContact CB-CE2 4.23Å; K193-Y201 HydrophobicContact CB-CG 4.41Å; K193-Y201 HydrophobicContact CD-CD2 4.37Å; K193-Y201 HydrophobicContact CD-CG 4.1Å; K193-Y201 HydrophobicContact CG-CD1 4.35Å; K193-Y201 HydrophobicContact CG-CD2 3.82Å; K193-Y201 HydrophobicContact CG-CE2 4.05Å; K193-Y201 HydrophobicContact CG-CG 3.96Å | ||
| 194 | P | 81 | Confident | 82.5 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | trans | -63.4 | 138.3 | 172.5 | -19.9 | 32.7 | 0 | 0 | 0 | 110.6 | V52 A192 Q196 A197 | V52-P194 HydrophobicContact CG2-CG 3.63Å; A192-P194 VanDerWaalsContact O-CD 3.32Å; A192-P194 WeakPolarHBondContact O-CD 3.35Å; P194-Q196 PolarHBondContact O-N 3.38Å; P194-Q196 VanDerWaalsContact O-N 3.13Å; P194-A197 HydrophobicContact CB-CB 4.46Å; P194-A197 WeakPolarHBondContact O-CB 3.4Å; P194-A197 PolarHBondContact O-N 3.42Å | ||
| 195 | T | 80.8 | Confident | 82.5 | Confident | 148 Ų | 148 | 63.9 Ų | 63.9 | 91% | 0.908 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.7 | 178.8 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 196 | Q | 78.6 | Confident | 82.6 | Confident | 107 Ų | 107 | 65 Ų | 65 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.6 | 179.4 | -58.8 | -146.6 | 37.8 | 0 | 0 | 114.4 | D49 Q50 P194 K198 | D49-Q196 PolarHBondContact OD2-NE2 3.35Å; D49-Q196 PolarHBondContact OD2-OE1 3.05Å; Q50-Q196 HydrophobicContact CG-CB 4.24Å; Q50-Q196 PolarHBondContact NE2-O 2.92Å; P194-Q196 PolarHBondContact O-N 3.38Å; P194-Q196 VanDerWaalsContact O-N 3.13Å; Q196-K198 PolarHBondContact O-N 3.02Å; Q196-K198 VanDerWaalsContact O-N 3.14Å |
| 197 | A | 73.9 | Confident | 82.8 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | trans | -74.4 | 104.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I43 K193 P194 Y201 | I43-A197 HydrophobicContact CG2-CB 4.08Å; K193-A197 HydrophobicContact CG-CB 4.42Å; P194-A197 HydrophobicContact CB-CB 4.46Å; P194-A197 WeakPolarHBondContact O-CB 3.4Å; P194-A197 PolarHBondContact O-N 3.42Å; A197-Y201 HydrophobicContact CB-CD2 4.19Å | ||
| 198 | K | 72.9 | Confident | 82.8 | Confident | 194 Ų | 194 | 64.6 Ų | 64.6 | 84% | 0.843 | 34% | 0.343 | S | S | * | . | trans | -89.3 | 139.7 | 176.5 | -64.6 | -175.1 | 179.6 | -176.9 | 0 | 110.6 | Q196 | Q196-K198 PolarHBondContact O-N 3.02Å; Q196-K198 VanDerWaalsContact O-N 3.14Å | ||
| 199 | G | 79 | Confident | 82.9 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 90 | -157.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y201 | G199-Y201 PolarHBondContact O-N 3.38Š|
| 200 | V | 81.3 | Confident | 82.9 | Confident | 104 Ų | 104 | 67 Ų | 67 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | trans | -72 | 112 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | G42 I202 | G42-V200 WeakPolarHBondContact CA-O 3.34Å; V200-I202 VanDerWaalsContact CG1-O 3.24Å; V200-I202 WeakPolarHBondContact CG1-O 3.29Å | ||
| 201 | Y | 83.5 | Confident | 82.7 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -70.4 | -35.1 | -175.9 | 179 | -114 | 0 | 0 | 0 | 113 | L41 G42 I43 V52 L189 K193 A197 G199 | L41-Y201 CarbonylContact C-O 3.49Å; L41-Y201 WeakPolarHBondContact CA-O 3.42Å; L41-Y201 HydrophobicContact CD1-CE2 4.25Å; L41-Y201 HydrophobicContact CD2-CD1 4.34Å; L41-Y201 HydrophobicContact CD2-CE1 3.9Å; L41-Y201 HydrophobicContact CD2-CE2 4.25Å; G42-Y201 PolarHBondContact N-O 3.25Å; I43-Y201 HydrophobicContact CG2-CD2 4.17Å; I43-Y201 HydrophobicContact CG2-CE2 3.86Å; V52-Y201 HydrophobicContact CG2-CE2 4.25Å; V52-Y201 WeakPolarHBondContact CG2-OH 3.41Å; L189-Y201 HydrophobicContact CB-CE1 4.44Å; L189-Y201 WeakPolarHBondContact O-CE1 3.41Å; L189-Y201 PolarHBondContact O-OH 3.27Å; K193-Y201 HydrophobicContact CB-CD1 4.31Å; K193-Y201 HydrophobicContact CB-CD2 4.39Å; K193-Y201 HydrophobicContact CB-CE1 4.16Å; K193-Y201 HydrophobicContact CB-CE2 4.23Å; K193-Y201 HydrophobicContact CB-CG 4.41Å; K193-Y201 HydrophobicContact CD-CD2 4.37Å; K193-Y201 HydrophobicContact CD-CG 4.1Å; K193-Y201 HydrophobicContact CG-CD1 4.35Å; K193-Y201 HydrophobicContact CG-CD2 3.82Å; K193-Y201 HydrophobicContact CG-CE2 4.05Å; K193-Y201 HydrophobicContact CG-CG 3.96Å; A197-Y201 HydrophobicContact CB-CD2 4.19Å; G199-Y201 PolarHBondContact O-N 3.38Å |
| 202 | I | 84.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 104.1 | 177.4 | -56.8 | 173 | 0 | 0 | 0 | 107.9 | V39 L41 L186 K190 V200 V205 Q219 | V39-I202 HydrophobicContact CG1-CG2 3.77Å; L41-I202 HydrophobicContact CD2-CG1 4.31Å; L186-I202 HydrophobicContact CD2-CD1 4.23Å; K190-I202 HydrophobicContact CG-CD1 4.2Å; V200-I202 VanDerWaalsContact CG1-O 3.24Å; V200-I202 WeakPolarHBondContact CG1-O 3.29Å; I202-V205 HydrophobicContact CG2-CG2 3.72Å; I202-Q219 PolarHBondContact O-NE2 3.24Å; I202-Q219 PolarHBondContact O-OE1 2.99Å |
| 203 | K | 83.1 | Confident | 81.9 | Confident | 127 Ų | 127 | 62 Ų | 62 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -46.8 | -177.1 | -71 | 176 | 172.4 | 167 | 0 | 112 | N40 Q219 | N40-K203 HydrophobicContact CB-CB 4.4Å; N40-K203 PolarHBondContact O-N 3.36Å; K203-Q219 PolarHBondContact O-NE2 3.39Å |
| 204 | K | 85.6 | Confident | 81.8 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 136.3 | -175.9 | -171.6 | 175 | -177.9 | 176.6 | 0 | 109.7 | N40 S206 | N40-K204 HydrophobicContact CB-CB 4.17Å; N40-K204 PolarHBondContact N-O 2.87Å; K204-S206 WeakPolarHBondContact CE-OG 3.41Å |
| 205 | V | 87.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.3 | 168.5 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | V37 V39 L186 I202 V217 Q219 | V37-V205 HydrophobicContact CG1-CG1 3.89Å; V39-V205 HydrophobicContact CG1-CG2 4.35Å; V39-V205 HydrophobicContact CG2-CG1 4.5Å; L186-V205 HydrophobicContact CD2-CG2 4.19Å; I202-V205 HydrophobicContact CG2-CG2 3.72Å; V205-V217 PolarHBondContact O-N 3.18Å; V205-Q219 HydrophobicContact CG2-CG 4.07Å |
| 206 | S | 88.4 | Confident | 82.1 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 18% | 0.175 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.4 | 176.8 | -60 | 0 | 0 | 0 | 0 | 109 | V37 A38 K204 V215 | V37-S206 CarbonylContact C-O 3.58Å; V37-S206 WeakPolarHBondContact CA-O 3.49Å; A38-S206 PolarHBondContact N-O 2.89Å; A38-S206 PolarHBondContact O-N 2.86Å; K204-S206 WeakPolarHBondContact CE-OG 3.41Å; S206-V215 CarbonylContact C-O 3.56Å; S206-V215 VanDerWaalsContact CA-O 3.31Å; S206-V215 WeakPolarHBondContact CA-O 3.46Å |
| 207 | I | 88.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.7 | 178.1 | -48.7 | 179.2 | 0 | 0 | 0 | 107.5 | L23 V35 D36 V37 L182 G214 V215 V217 | L23-I207 HydrophobicContact CD1-CB 3.82Å; L23-I207 HydrophobicContact CD1-CG2 3.33Å; V35-I207 HydrophobicContact CG1-CG2 3.41Å; V35-I207 VanDerWaalsContact CG1-CG2 3.41Å; D36-I207 CarbonylContact O-C 3.58Å; D36-I207 WeakPolarHBondContact O-CA 3.49Å; V37-I207 HydrophobicContact CG2-CG1 4.21Å; V37-I207 HydrophobicContact CG2-CG2 4.3Å; L182-I207 HydrophobicContact CD1-CD1 3.25Å; L182-I207 HydrophobicContact CD1-CG1 3.87Å; I207-G214 CarbonylContact O-C 3.44Å; I207-G214 WeakPolarHBondContact O-CA 3.4Å; I207-V215 PolarHBondContact N-O 3.32Å; I207-V215 PolarHBondContact O-N 2.97Å; I207-V217 HydrophobicContact CB-CG2 4.47Å; I207-V217 HydrophobicContact CD1-CG2 3.56Å; I207-V217 HydrophobicContact CG1-CG2 3.7Å |
| 208 | S | 87.5 | Confident | 82.3 | Confident | 35 Ų | 35 | 50 Ų | 50 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 145.4 | 178.4 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | D36 | D36-S208 PolarHBondContact N-O 3.17Å; D36-S208 PolarHBondContact O-N 3.12Å; D36-S208 VanDerWaalsContact O-O 3.11Å |
| 209 | T | 86.3 | Confident | 82 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 162.2 | 161.3 | 72.5 | 0 | 0 | 0 | 0 | 109.7 | L23 A27 E33 S34 V171 M211 G212 | L23-T209 HydrophobicContact CB-CG2 3.83Å; L23-T209 HydrophobicContact CD2-CG2 3.72Å; L23-T209 HydrophobicContact CG-CG2 4.33Å; A27-T209 HydrophobicContact CB-CG2 4.49Å; E33-T209 WeakPolarHBondContact OE2-CB 3.29Å; E33-T209 PolarHBondContact OE2-OG1 2.76Å; S34-T209 WeakPolarHBondContact O-CA 3.42Å; V171-T209 HydrophobicContact CG2-CG2 3.83Å; T209-M211 PolarHBondContact O-N 3.35Å; T209-M211 VanDerWaalsContact O-N 3.12Å; T209-G212 PolarHBondContact O-N 2.62Å; T209-G212 WeakPolarHBondContact OG1-CA 3.08Å; T209-G212 PolarHBondContact OG1-N 3Å |
| 210 | T | 84.9 | Confident | 81 | Confident | 67 Ų | 67 | 44.9 Ų | 44.9 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -52.4 | -36.6 | -177.9 | -52 | 0 | 0 | 0 | 0 | 113.4 | S34 | S34-T210 PolarHBondContact N-OG1 2.89Å; S34-T210 PolarHBondContact O-N 3.35Å; S34-T210 PolarHBondContact O-OG1 3.41Å |
| 211 | M | 81 | Confident | 79.7 | Confident | 127 Ų | 127 | 41.8 Ų | 41.8 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -115 | -2.8 | -179.5 | -59.9 | -60.2 | -64.9 | 0 | 0 | 113.7 | F31 E33 T209 | F31-M211 HydrophobicContact CE1-CG 4.46Å; F31-M211 HydrophobicContact CZ-CG 3.93Å; E33-M211 PolarHBondContact OE2-N 2.93Å; E33-M211 VanDerWaalsContact OE2-N 3.09Å; T209-M211 PolarHBondContact O-N 3.35Å; T209-M211 VanDerWaalsContact O-N 3.12Å |
| 212 | G | 74.6 | Confident | 78.2 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -93.4 | 176.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T209 | T209-G212 PolarHBondContact O-N 2.62Å; T209-G212 WeakPolarHBondContact OG1-CA 3.08Å; T209-G212 PolarHBondContact OG1-N 3Å |
| 213 | A | 74.7 | Confident | 76.4 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -75 | 152.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I4 V8 | I4-A213 HydrophobicContact CG2-CB 3.17Å; V8-A213 HydrophobicContact CG2-CB 4.37Å |
| 214 | G | 81.1 | Confident | 74.5 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 49% | 0.485 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I207 | I207-G214 CarbonylContact O-C 3.44Å; I207-G214 WeakPolarHBondContact O-CA 3.4Å |
| 215 | V | 83.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.3 | 173.8 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | V8 Y14 A19 L23 S206 I207 | V8-V215 HydrophobicContact CG1-CG2 4.11Å; V8-V215 HydrophobicContact CG2-CG2 4.29Å; Y14-V215 HydrophobicContact CD2-CG1 3.23Å; Y14-V215 HydrophobicContact CE2-CG1 3.85Å; Y14-V215 HydrophobicContact CG-CG1 3.72Å; A19-V215 HydrophobicContact CB-CG1 4Å; L23-V215 HydrophobicContact CD2-CG2 4.23Å; S206-V215 CarbonylContact C-O 3.56Å; S206-V215 VanDerWaalsContact CA-O 3.31Å; S206-V215 WeakPolarHBondContact CA-O 3.46Å; I207-V215 PolarHBondContact N-O 3.32Å; I207-V215 PolarHBondContact O-N 2.97Å |
| 216 | A | 83.3 | Confident | 69.3 | Low | 15 Ų | 15 | 42.3 Ų | 42.3 | 12% | 0.124 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 127.3 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y14 | Y14-A216 PolarHBondContact N-O 3.37Å |
| 217 | V | 82 | Confident | 66.5 | Low | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.3 | -179.9 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | Y14 I16 A19 V205 I207 Q219 L222 | Y14-V217 WeakPolarHBondContact O-CA 3.3Å; I16-V217 HydrophobicContact CB-CG1 4.4Å; I16-V217 HydrophobicContact CG1-CG1 3.52Å; A19-V217 HydrophobicContact CB-CG2 3.71Å; V205-V217 PolarHBondContact O-N 3.18Å; I207-V217 HydrophobicContact CB-CG2 4.47Å; I207-V217 HydrophobicContact CD1-CG2 3.56Å; I207-V217 HydrophobicContact CG1-CG2 3.7Å; V217-Q219 PolarHBondContact O-N 3.15Å; V217-L222 HydrophobicContact CG1-CD1 4.41Å |
| 218 | D | 74.4 | Confident | 65.4 | Low | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 129.2 | 174.1 | -170.4 | 0.2 | 0 | 0 | 0 | 110 | Q13 Y14 A220 | Q13-D218 HydrophobicContact CB-CB 3.92Å; Q13-D218 PolarHBondContact OE1-OD1 3.31Å; Y14-D218 PolarHBondContact O-N 3.49Å; D218-A220 VanDerWaalsContact C-N 3.27Å; D218-A220 WeakPolarHBondContact OD1-CB 3.47Å; D218-A220 PolarHBondContact OD1-N 3.35Å |
| 219 | Q | 67.7 | Low | 64.3 | Low | 67 Ų | 67 | 54.9 Ų | 54.9 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -76.2 | -17.9 | 177 | -61.3 | -179.3 | 42.2 | 0 | 0 | 112.1 | I202 K203 V205 V217 G221 L222 | I202-Q219 PolarHBondContact O-NE2 3.24Å; I202-Q219 PolarHBondContact O-OE1 2.99Å; K203-Q219 PolarHBondContact O-NE2 3.39Å; V205-Q219 HydrophobicContact CG2-CG 4.07Å; V217-Q219 PolarHBondContact O-N 3.15Å; Q219-G221 VanDerWaalsContact C-N 3.32Å; Q219-G221 PolarHBondContact O-N 2.9Å; Q219-L222 WeakPolarHBondContact O-CB 3.43Å; Q219-L222 PolarHBondContact O-N 3.38Å |
| 220 | A | 57.7 | Low | 63.1 | Low | 84 Ų | 84 | 57.8 Ų | 57.8 | 69% | 0.694 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -28.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | D218 L222 | D218-A220 VanDerWaalsContact C-N 3.27Å; D218-A220 WeakPolarHBondContact OD1-CB 3.47Å; D218-A220 PolarHBondContact OD1-N 3.35Å; A220-L222 VanDerWaalsContact C-N 3.28Å; A220-L222 PolarHBondContact O-N 2.98Å |
| 221 | G | 53.4 | Low | 61.8 | Low | 39 Ų | 39 | 57.2 Ų | 57.2 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q219 S223 | Q219-G221 VanDerWaalsContact C-N 3.32Å; Q219-G221 PolarHBondContact O-N 2.9Å; G221-S223 PolarHBondContact O-N 3.43Å |
| 222 | L | 53.5 | Low | 60.6 | Low | 17 Ų | 17 | 52.9 Ų | 52.9 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | trans | -89.4 | 102.4 | -179.4 | -87.9 | 143.3 | 0 | 0 | 0 | 110.4 | I16 L182 E183 L186 V217 Q219 A220 A224 | I16-L222 HydrophobicContact CD1-CD1 3.8Å; I16-L222 HydrophobicContact CD1-CD2 3.47Å; I16-L222 VanDerWaalsContact CD1-CD2 3.47Å; I16-L222 HydrophobicContact CD1-CG 3.33Å; I16-L222 HydrophobicContact CG1-CD1 4.13Å; I16-L222 HydrophobicContact CG1-CG 4.19Å; L182-L222 HydrophobicContact CD2-CD1 3.77Å; L182-L222 HydrophobicContact CD2-CD2 3.6Å; L182-L222 HydrophobicContact CD2-CG 4.27Å; E183-L222 HydrophobicContact CB-CD2 4.48Å; E183-L222 HydrophobicContact CG-CD2 3.42Å; E183-L222 VanDerWaalsContact CG-CD2 3.42Å; L186-L222 HydrophobicContact CD1-CB 4.34Å; L186-L222 HydrophobicContact CD1-CD1 3.52Å; L186-L222 HydrophobicContact CD1-CD2 3.78Å; L186-L222 HydrophobicContact CD1-CG 4.01Å; V217-L222 HydrophobicContact CG1-CD1 4.41Å; Q219-L222 WeakPolarHBondContact O-CB 3.43Å; Q219-L222 PolarHBondContact O-N 3.38Å; A220-L222 VanDerWaalsContact C-N 3.28Å; A220-L222 PolarHBondContact O-N 2.98Å; L222-A224 PolarHBondContact O-N 3.32Å | ||
| 223 | S | 45.8 | Very low | 59.6 | Low | 79 Ų | 79 | 55.1 Ų | 55.1 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | trans | -68.4 | 59 | 166.4 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | G221 S225 | G221-S223 PolarHBondContact O-N 3.43Å; S223-S225 PolarHBondContact O-N 2.96Å | ||
| 224 | A | 44.1 | Very low | 58.5 | Low | 9 Ų | 9 | 57.1 Ų | 57.1 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | trans | -78.2 | 56.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | V187 K190 L222 V226 | V187-A224 HydrophobicContact CG2-CB 4.15Å; K190-A224 HydrophobicContact CD-CB 4.21Å; K190-A224 PolarHBondContact NZ-O 3.13Å; L222-A224 PolarHBondContact O-N 3.32Å; A224-V226 PolarHBondContact O-N 3.04Å | ||
| 225 | S | 29.6 | Very low | 56.8 | Low | 89 Ų | 89 | 57.8 Ų | 57.8 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | trans | -72.8 | 99.5 | 162.1 | 45.3 | 0 | 0 | 0 | 0 | 106.7 | S223 N227 | S223-S225 PolarHBondContact O-N 2.96Å; S225-N227 PolarHBondContact O-N 3.08Å; S225-N227 VanDerWaalsContact O-N 3.16Å | ||
| 226 | V | 33.9 | Very low | 54.6 | Low | 73 Ų | 73 | 62.6 Ų | 62.6 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | trans | -70.4 | 101.8 | 161.9 | -178.4 | 0 | 0 | 0 | 0 | 105 | V187 K190 A224 | V187-V226 HydrophobicContact CG1-CG2 4.46Å; K190-V226 HydrophobicContact CD-CG2 4.36Å; A224-V226 PolarHBondContact O-N 3.04Å | ||
| 227 | N | 30.1 | Very low | 52 | Low | 216 Ų | 216 | 66.9 Ų | 66.9 | 100% | 1.155 | 43% | 0.426 | S | S | * | . | trans | -72.2 | 0 | 150.4 | -73 | -13.3 | 0 | 0 | 0 | 107.9 | S225 | S225-N227 PolarHBondContact O-N 3.08Å; S225-N227 VanDerWaalsContact O-N 3.16Å |
Retrieved 227 of 227 residues in 61.9 ms
(Link to these results)