| 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 | 92.6 | Very high | 96.9 | Very high | 91 Ų | 91 | 86.4 Ų | 86.4 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | 0 | 167.7 | 0 | 66.8 | 173.4 | -72.6 | 0 | 0 | 109.5 | Q10 L133 L136 Y193 | M1-Q10 VanDerWaalsContact C-CD 3.43Å; M1-L133 HydrophobicContact CE-CD1 3.74Å; M1-L133 HydrophobicContact CE-CD2 3.81Å; M1-L133 HydrophobicContact CE-CG 4.33Å; M1-L133 HydrophobicContact SD-CD1 3.18Å; M1-L133 WeakPolarHBondContact SD-CD1 3.3Å; M1-L133 HydrophobicContact SD-CD2 3.79Å; M1-L133 HydrophobicContact SD-CG 4.1Å; M1-L136 HydrophobicContact CE-CD1 3.88Å; M1-Y193 HydrophobicContact CB-CD2 3.94Å; M1-Y193 HydrophobicContact CB-CG 4.46Å | |||
| 2 | A | 96.8 | Very high | 97 | Very high | 49 Ų | 49 | 79.9 Ų | 79.9 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | trans | -66.5 | 145.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q10 | A2-Q10 VanDerWaalsContact N-CD 3.28Š| ||
| 3 | H | 96.6 | Very high | 97 | Very high | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | trans | -116.9 | 163.2 | 175.6 | 56.8 | -79.4 | 0 | 0 | 0 | 111.2 | A5 Q6 | H3-A5 PolarHBondContact O-N 2.81Å; H3-Q6 VanDerWaalsContact N-OE1 3.09Å; H3-Q6 PolarHBondContact ND1-OE1 3.39Å; H3-Q6 VanDerWaalsContact O-CB 3.27Å; H3-Q6 WeakPolarHBondContact O-CB 3.42Å; H3-Q6 PolarHBondContact O-N 3.05Å | ||
| 4 | A | 97.3 | Very high | 97 | Very high | 97 Ų | 97 | 68.9 Ų | 68.9 | 80% | 0.802 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 137.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q6 | A4-Q6 PolarHBondContact O-N 3.5Š|
| 5 | A | 97.2 | Very high | 97 | Very high | 102 Ų | 102 | 68.5 Ų | 68.5 | 84% | 0.843 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 21.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H3 | H3-A5 PolarHBondContact O-N 2.81Š|
| 6 | Q | 97.8 | Very high | 96.9 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 22% | 0.22 | 42% | 0.419 | C | S | . | . | trans | -64.7 | 134.9 | 173.1 | -175.7 | 171.5 | 7.2 | 0 | 0 | 111.6 | H3 A4 G8 L9 Q10 | H3-Q6 VanDerWaalsContact N-OE1 3.09Å; H3-Q6 PolarHBondContact ND1-OE1 3.39Å; H3-Q6 VanDerWaalsContact O-CB 3.27Å; H3-Q6 WeakPolarHBondContact O-CB 3.42Å; H3-Q6 PolarHBondContact O-N 3.05Å; A4-Q6 PolarHBondContact O-N 3.5Å; Q6-G8 WeakPolarHBondContact CG-O 3.39Å; Q6-G8 PolarHBondContact NE2-O 3.27Å; Q6-L9 VanDerWaalsContact NE2-C 3.29Å; Q6-L9 PolarHBondContact NE2-O 3.24Å; Q6-Q10 VanDerWaalsContact NE2-CA 3.34Å | ||
| 7 | V | 96.8 | Very high | 97 | Very high | 150 Ų | 150 | 63.4 Ų | 63.4 | 91% | 0.909 | 40% | 0.398 | S | S | * | . | trans | -106.9 | -36 | -180 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 8 | G | 96.4 | Very high | 97 | Very high | 54 Ų | 54 | 65.1 Ų | 65.1 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -95.7 | -171.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q6 | Q6-G8 WeakPolarHBondContact CG-O 3.39Å; Q6-G8 PolarHBondContact NE2-O 3.27Å |
| 9 | L | 98 | Very high | 97.1 | Very high | 78 Ų | 78 | 64.9 Ų | 64.9 | 41% | 0.408 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 158.3 | 170.4 | -63.9 | 171.7 | 0 | 0 | 0 | 111 | Q6 M17 I21 H24 | Q6-L9 VanDerWaalsContact NE2-C 3.29Å; Q6-L9 PolarHBondContact NE2-O 3.24Å; L9-M17 HydrophobicContact CB-CE 3.99Å; L9-M17 HydrophobicContact CD1-CE 4.01Å; L9-M17 HydrophobicContact CD2-CE 4.39Å; L9-M17 HydrophobicContact CG-CE 4.35Å; L9-I21 HydrophobicContact CB-CG1 4.25Å; L9-I21 HydrophobicContact CD1-CG1 3.86Å; L9-H24 HydrophobicContact CD1-CB 4.11Å |
| 10 | Q | 98.2 | Very high | 97.1 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 16% | 0.159 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 151.6 | 170.5 | -61 | -177.9 | 28.8 | 0 | 0 | 110.2 | M1 A2 Q6 A12 T167 | M1-Q10 VanDerWaalsContact C-CD 3.43Å; A2-Q10 VanDerWaalsContact N-CD 3.28Å; Q6-Q10 VanDerWaalsContact NE2-CA 3.34Å; Q10-A12 PolarHBondContact O-N 3.01Å; Q10-T167 HydrophobicContact CB-CG2 3.82Å |
| 11 | D | 98.1 | Very high | 97.2 | Very high | 126 Ų | 126 | 63.4 Ų | 63.4 | 67% | 0.674 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 129.2 | 178 | -63 | -11 | 0 | 0 | 0 | 111 | ||
| 12 | A | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 63 Ų | 63 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 133.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q10 M17 E18 I21 R188 | Q10-A12 PolarHBondContact O-N 3.01Å; A12-M17 HydrophobicContact CB-CB 3.69Å; A12-M17 HydrophobicContact CB-CG 3.61Å; A12-E18 HydrophobicContact CB-CB 4.26Å; A12-E18 HydrophobicContact CB-CG 3.47Å; A12-E18 VanDerWaalsContact CB-CG 3.47Å; A12-I21 HydrophobicContact CB-CD1 3.73Å; A12-R188 VanDerWaalsContact O-CZ 3.26Å; A12-R188 PolarHBondContact O-NH1 2.7Å; A12-R188 PolarHBondContact O-NH2 3.05Å |
| 13 | T | 97.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | trans | -118.6 | 2.6 | 179.7 | 62.9 | 0 | 0 | 0 | 0 | 112.8 | T167 L168 A186 T187 Y192 | T13-T167 HydrophobicContact CG2-CG2 4.47Å; T13-T167 PolarHBondContact N-O 3.21Å; T13-T167 VanDerWaalsContact OG1-C 3.26Å; T13-T167 WeakPolarHBondContact OG1-CB 3.44Å; T13-T167 PolarHBondContact OG1-O 3.45Å; T13-T167 VanDerWaalsContact OG1-O 3.09Å; T13-T167 PolarHBondContact OG1-OG1 3.35Å; T13-L168 VanDerWaalsContact OG1-CD2 3.23Å; T13-L168 WeakPolarHBondContact OG1-CD2 3.38Å; T13-A186 WeakPolarHBondContact O-CA 3.47Å; T13-T187 PolarHBondContact O-N 3.32Å; T13-T187 VanDerWaalsContact O-N 3.09Å; T13-T187 PolarHBondContact O-OG1 2.94Å; T13-Y192 HydrophobicContact CG2-CD1 3.68Å; T13-Y192 HydrophobicContact CG2-CE1 3.09Å | ||
| 14 | S | 96.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -131.1 | 155.4 | 170.1 | 68.8 | 0 | 0 | 0 | 0 | 110 | I16 M17 E18 L168 T185 | S14-I16 VanDerWaalsContact C-N 3.26Å; S14-I16 PolarHBondContact O-N 3.39Å; S14-M17 PolarHBondContact O-N 2.69Å; S14-M17 VanDerWaalsContact O-N 3.17Å; S14-M17 WeakPolarHBondContact OG-CB 3.5Å; S14-M17 PolarHBondContact OG-N 3.46Å; S14-E18 PolarHBondContact O-N 3.45Å; S14-L168 PolarHBondContact OG-O 3.18Å; S14-T185 WeakPolarHBondContact CA-O 3.5Å; S14-T185 VanDerWaalsContact CB-O 3.3Å; S14-T185 WeakPolarHBondContact CB-O 3.33Å |
| 15 | P | 96.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 60 Ų | 60 | 41% | 0.409 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | 176.4 | -23.6 | 35.2 | 0 | 0 | 0 | 112.9 | M17 E18 E19 T185 T187 | P15-M17 VanDerWaalsContact C-N 3.34Å; P15-M17 PolarHBondContact O-N 3.44Å; P15-E18 WeakPolarHBondContact O-CB 3.45Å; P15-E18 PolarHBondContact O-N 3.21Å; P15-E19 PolarHBondContact O-N 3.3Å; P15-E19 VanDerWaalsContact O-N 3.08Å; P15-T185 WeakPolarHBondContact CD-O 3.31Å; P15-T187 HydrophobicContact CG-CG2 3.96Å |
| 16 | I | 96.1 | Very high | 97.8 | Very high | 39 Ų | 39 | 58.3 Ų | 58.3 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 177 | -62.7 | -61.1 | 0 | 0 | 0 | 111.1 | S14 E18 E19 L20 M86 T87 | S14-I16 VanDerWaalsContact C-N 3.26Å; S14-I16 PolarHBondContact O-N 3.39Å; I16-E18 VanDerWaalsContact C-N 3.3Å; I16-E18 PolarHBondContact O-N 3.47Å; I16-E19 PolarHBondContact O-N 3.13Å; I16-L20 HydrophobicContact CG2-CD1 4.13Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.12Å; I16-L20 PolarHBondContact O-N 3.06Å; I16-M86 HydrophobicContact CD1-CB 4.32Å; I16-T87 HydrophobicContact CG2-CG2 4.41Å |
| 17 | M | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 5% | 0.054 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -31.6 | 177 | -171 | 60.7 | -171 | 0 | 0 | 112.1 | L9 A12 S14 P15 L20 I21 T167 G169 | L9-M17 HydrophobicContact CB-CE 3.99Å; L9-M17 HydrophobicContact CD1-CE 4.01Å; L9-M17 HydrophobicContact CD2-CE 4.39Å; L9-M17 HydrophobicContact CG-CE 4.35Å; A12-M17 HydrophobicContact CB-CB 3.69Å; A12-M17 HydrophobicContact CB-CG 3.61Å; S14-M17 PolarHBondContact O-N 2.69Å; S14-M17 VanDerWaalsContact O-N 3.17Å; S14-M17 WeakPolarHBondContact OG-CB 3.5Å; S14-M17 PolarHBondContact OG-N 3.46Å; P15-M17 VanDerWaalsContact C-N 3.34Å; P15-M17 PolarHBondContact O-N 3.44Å; M17-L20 PolarHBondContact O-N 2.88Å; M17-L20 HydrophobicContact SD-CB 4.22Å; M17-L20 HydrophobicContact SD-CD1 4.09Å; M17-I21 HydrophobicContact CE-CD1 4.34Å; M17-I21 HydrophobicContact CE-CG1 4.03Å; M17-I21 WeakPolarHBondContact O-CG1 3.49Å; M17-I21 PolarHBondContact O-N 2.86Å; M17-T167 WeakPolarHBondContact CB-O 3.27Å; M17-T167 WeakPolarHBondContact CG-O 3.47Å; M17-G169 VanDerWaalsContact SD-CA 3.57Å |
| 18 | E | 98.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 172.1 | -66.9 | 176.3 | -166 | 0 | 0 | 110.8 | A12 S14 P15 I16 L20 I21 T22 | A12-E18 HydrophobicContact CB-CB 4.26Å; A12-E18 HydrophobicContact CB-CG 3.47Å; A12-E18 VanDerWaalsContact CB-CG 3.47Å; S14-E18 PolarHBondContact O-N 3.45Å; P15-E18 WeakPolarHBondContact O-CB 3.45Å; P15-E18 PolarHBondContact O-N 3.21Å; I16-E18 VanDerWaalsContact C-N 3.3Å; I16-E18 PolarHBondContact O-N 3.47Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.47Å; E18-I21 PolarHBondContact O-N 3.33Å; E18-T22 WeakPolarHBondContact O-CG2 3.45Å; E18-T22 PolarHBondContact O-N 3.29Å |
| 19 | E | 98 | Very high | 98 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 29% | 0.29 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 175 | -68.4 | -68.9 | 145.5 | 0 | 0 | 111.7 | P15 I16 I21 T22 F23 I83 M86 | P15-E19 PolarHBondContact O-N 3.3Å; P15-E19 VanDerWaalsContact O-N 3.08Å; I16-E19 PolarHBondContact O-N 3.13Å; E19-I21 PolarHBondContact O-N 3.49Å; E19-T22 PolarHBondContact O-N 3.47Å; E19-T22 PolarHBondContact O-OG1 3.32Å; E19-F23 WeakPolarHBondContact O-CB 3.44Å; E19-F23 PolarHBondContact O-N 3.31Å; E19-I83 HydrophobicContact CB-CD1 4.1Å; E19-I83 HydrophobicContact CB-CG1 4.17Å; E19-M86 HydrophobicContact CG-CE 4.29Å |
| 20 | L | 98.3 | Very high | 98 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 29% | 0.293 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 176.2 | -72.7 | 171.8 | 0 | 0 | 0 | 112.9 | I16 M17 E18 F23 H24 I83 | I16-L20 HydrophobicContact CG2-CD1 4.13Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 VanDerWaalsContact O-CG 3.31Å; I16-L20 WeakPolarHBondContact O-CG 3.12Å; I16-L20 PolarHBondContact O-N 3.06Å; M17-L20 PolarHBondContact O-N 2.88Å; M17-L20 HydrophobicContact SD-CB 4.22Å; M17-L20 HydrophobicContact SD-CD1 4.09Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 3.47Å; L20-F23 PolarHBondContact O-N 3.09Å; L20-H24 VanDerWaalsContact O-CB 3.28Å; L20-H24 WeakPolarHBondContact O-CB 3.25Å; L20-H24 PolarHBondContact O-N 3.24Å; L20-I83 HydrophobicContact CD2-CG2 3.91Å; L20-I83 HydrophobicContact CG-CG2 4.37Å |
| 21 | I | 98.6 | Very high | 98 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 174.9 | -68.6 | 172.4 | 0 | 0 | 0 | 110.1 | L9 A12 M17 E18 E19 F23 H24 D25 | L9-I21 HydrophobicContact CB-CG1 4.25Å; L9-I21 HydrophobicContact CD1-CG1 3.86Å; A12-I21 HydrophobicContact CB-CD1 3.73Å; M17-I21 HydrophobicContact CE-CD1 4.34Å; M17-I21 HydrophobicContact CE-CG1 4.03Å; M17-I21 WeakPolarHBondContact O-CG1 3.49Å; M17-I21 PolarHBondContact O-N 2.86Å; E18-I21 PolarHBondContact O-N 3.33Å; E19-I21 PolarHBondContact O-N 3.49Å; I21-F23 VanDerWaalsContact C-N 3.33Å; I21-F23 PolarHBondContact O-N 3.08Å; I21-H24 WeakPolarHBondContact O-CB 3.48Å; I21-H24 PolarHBondContact O-N 3.42Å; I21-D25 PolarHBondContact O-N 3.15Å |
| 22 | T | 98.3 | Very high | 98 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 178.9 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | E18 E19 D25 H26 | E18-T22 WeakPolarHBondContact O-CG2 3.45Å; E18-T22 PolarHBondContact O-N 3.29Å; E19-T22 PolarHBondContact O-N 3.47Å; E19-T22 PolarHBondContact O-OG1 3.32Å; T22-D25 PolarHBondContact O-N 3.12Å; T22-H26 PolarHBondContact O-N 3.22Å |
| 23 | F | 98.6 | Very high | 98 | Very high | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.184 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 175.2 | 171.3 | -111.7 | 0 | 0 | 0 | 112.2 | E19 L20 I21 D25 H26 A27 I76 P79 S80 I83 | E19-F23 WeakPolarHBondContact O-CB 3.44Å; E19-F23 PolarHBondContact O-N 3.31Å; L20-F23 PolarHBondContact O-N 3.09Å; I21-F23 VanDerWaalsContact C-N 3.33Å; I21-F23 PolarHBondContact O-N 3.08Å; F23-D25 VanDerWaalsContact C-N 3.31Å; F23-D25 PolarHBondContact O-N 3.49Å; F23-H26 PolarHBondContact O-N 3.18Å; F23-A27 WeakPolarHBondContact O-CB 3.28Å; F23-A27 PolarHBondContact O-N 3.05Å; F23-I76 HydrophobicContact CE2-CG2 4.11Å; F23-I76 WeakPolarHBondContact CE2-O 3.42Å; F23-I76 HydrophobicContact CZ-CG2 4.06Å; F23-P79 HydrophobicContact CD2-CB 4.09Å; F23-P79 HydrophobicContact CD2-CG 4.07Å; F23-P79 HydrophobicContact CE2-CG 4.12Å; F23-S80 VanDerWaalsContact CZ-CB 3.5Å; F23-I83 HydrophobicContact CB-CD1 3.44Å; F23-I83 VanDerWaalsContact CB-CD1 3.44Å; F23-I83 HydrophobicContact CG-CD1 3.97Å |
| 24 | H | 98.6 | Very high | 98 | Very high | 75 Ų | 75 | 63.9 Ų | 63.9 | 35% | 0.347 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.7 | -47.6 | 173.1 | 167.5 | -85.5 | 0 | 0 | 0 | 110.8 | L9 L20 I21 H26 A27 L28 | L9-H24 HydrophobicContact CD1-CB 4.11Å; L20-H24 VanDerWaalsContact O-CB 3.28Å; L20-H24 WeakPolarHBondContact O-CB 3.25Å; L20-H24 PolarHBondContact O-N 3.24Å; I21-H24 WeakPolarHBondContact O-CB 3.48Å; I21-H24 PolarHBondContact O-N 3.42Å; H24-H26 PolarHBondContact O-N 3.09Å; H24-A27 PolarHBondContact O-N 3.27Å; H24-L28 WeakPolarHBondContact O-CB 3.34Å; H24-L28 PolarHBondContact O-N 3.39Å |
| 25 | D | 98.4 | Very high | 98.1 | Very high | 89 Ų | 89 | 67.2 Ų | 67.2 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | -178.9 | -69.8 | -7.7 | 0 | 0 | 0 | 112.3 | I21 T22 F23 L28 M29 | I21-D25 PolarHBondContact O-N 3.15Å; T22-D25 PolarHBondContact O-N 3.12Å; F23-D25 VanDerWaalsContact C-N 3.31Å; F23-D25 PolarHBondContact O-N 3.49Å; D25-L28 PolarHBondContact O-N 3.39Å; D25-M29 WeakPolarHBondContact O-CB 3.4Å; D25-M29 PolarHBondContact O-N 2.91Å |
| 26 | H | 98.4 | Very high | 98.2 | Very high | 66 Ų | 66 | 70.8 Ų | 70.8 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 172.6 | 174.8 | 68.5 | 0 | 0 | 0 | 112.1 | T22 F23 H24 I30 L75 | T22-H26 PolarHBondContact O-N 3.22Å; F23-H26 PolarHBondContact O-N 3.18Å; H24-H26 PolarHBondContact O-N 3.09Å; H26-I30 WeakPolarHBondContact O-CG1 3.46Å; H26-I30 PolarHBondContact O-N 3.45Å; H26-L75 PolarHBondContact NE2-O 2.88Å; H26-L75 VanDerWaalsContact NE2-O 3.08Å |
| 27 | A | 98.4 | Very high | 98.3 | Very high | 17 Ų | 17 | 73.8 Ų | 73.8 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F23 H24 M29 I30 I31 | F23-A27 WeakPolarHBondContact O-CB 3.28Å; F23-A27 PolarHBondContact O-N 3.05Å; H24-A27 PolarHBondContact O-N 3.27Å; A27-M29 PolarHBondContact O-N 3.22Å; A27-I30 PolarHBondContact O-N 3.21Å; A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 PolarHBondContact O-N 3.07Å |
| 28 | L | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 77.7 Ų | 77.7 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 180 | -175.8 | 61.5 | 0 | 0 | 0 | 111.8 | H24 D25 I30 I31 F32 | H24-L28 WeakPolarHBondContact O-CB 3.34Å; H24-L28 PolarHBondContact O-N 3.39Å; D25-L28 PolarHBondContact O-N 3.39Å; L28-I30 VanDerWaalsContact C-N 3.32Å; L28-I30 PolarHBondContact O-N 3.15Å; L28-I31 PolarHBondContact O-N 3.02Å; L28-F32 HydrophobicContact CD1-CD2 3.91Å; L28-F32 HydrophobicContact CD1-CE2 3.58Å; L28-F32 HydrophobicContact CD1-CZ 4.19Å; L28-F32 HydrophobicContact CD2-CD2 4.47Å; L28-F32 HydrophobicContact CD2-CE2 3.85Å; L28-F32 HydrophobicContact CG-CD2 3.71Å; L28-F32 HydrophobicContact CG-CE2 3.51Å; L28-F32 VanDerWaalsContact O-CD2 3.32Å; L28-F32 WeakPolarHBondContact O-CD2 3.24Å; L28-F32 PolarHBondContact O-N 3.24Å |
| 29 | M | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 78.8 Ų | 78.8 | 58% | 0.576 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -56.4 | -46.6 | 172.4 | 177.8 | -168 | 64.9 | 0 | 0 | 111.3 | D25 A27 F32 L33 | D25-M29 WeakPolarHBondContact O-CB 3.4Å; D25-M29 PolarHBondContact O-N 2.91Å; A27-M29 PolarHBondContact O-N 3.22Å; M29-F32 PolarHBondContact O-N 3Å; M29-L33 WeakPolarHBondContact O-CB 3.49Å; M29-L33 PolarHBondContact O-N 3.06Å |
| 30 | I | 98.3 | Very high | 98.3 | Very high | 18 Ų | 18 | 81.7 Ų | 81.7 | 9% | 0.092 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 178.7 | -66.9 | 169.2 | 0 | 0 | 0 | 110.7 | H26 A27 L28 F32 L33 I34 I72 I76 | H26-I30 WeakPolarHBondContact O-CG1 3.46Å; H26-I30 PolarHBondContact O-N 3.45Å; A27-I30 PolarHBondContact O-N 3.21Å; L28-I30 VanDerWaalsContact C-N 3.32Å; L28-I30 PolarHBondContact O-N 3.15Å; I30-F32 PolarHBondContact O-N 3.23Å; I30-L33 WeakPolarHBondContact O-CB 3.37Å; I30-L33 PolarHBondContact O-N 3.48Å; I30-I34 HydrophobicContact CG2-CD1 3.92Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 3.41Å; I30-I72 HydrophobicContact CG2-CG2 3.46Å; I30-I72 VanDerWaalsContact CG2-CG2 3.46Å; I30-I76 HydrophobicContact CD1-CD1 4.21Å; I30-I76 HydrophobicContact CD1-CG1 3.63Å; I30-I76 HydrophobicContact CG2-CD1 4.16Å |
| 31 | I | 98.1 | Very high | 98.2 | Very high | 88 Ų | 88 | 81.1 Ų | 81.1 | 45% | 0.451 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 177.6 | -68.6 | 166.5 | 0 | 0 | 0 | 110.4 | A27 L28 L33 I34 C35 | A27-I31 WeakPolarHBondContact O-CG1 3.33Å; A27-I31 PolarHBondContact O-N 3.07Å; L28-I31 PolarHBondContact O-N 3.02Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 3.41Å; I31-I34 PolarHBondContact O-N 3Å; I31-C35 WeakPolarHBondContact O-CB 3.48Å; I31-C35 PolarHBondContact O-N 3.21Å; I31-C35 PolarHBondContact O-SG 2.86Å; I31-C35 VanDerWaalsContact O-SG 3.34Å |
| 32 | F | 98.4 | Very high | 98.1 | Very high | 134 Ų | 134 | 83.5 Ų | 83.5 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.7 | -40.7 | 177 | -84.3 | -54.9 | 0 | 0 | 0 | 112.5 | L28 M29 I30 C35 F36 | L28-F32 HydrophobicContact CD1-CD2 3.91Å; L28-F32 HydrophobicContact CD1-CE2 3.58Å; L28-F32 HydrophobicContact CD1-CZ 4.19Å; L28-F32 HydrophobicContact CD2-CD2 4.47Å; L28-F32 HydrophobicContact CD2-CE2 3.85Å; L28-F32 HydrophobicContact CG-CD2 3.71Å; L28-F32 HydrophobicContact CG-CE2 3.51Å; L28-F32 VanDerWaalsContact O-CD2 3.32Å; L28-F32 WeakPolarHBondContact O-CD2 3.24Å; L28-F32 PolarHBondContact O-N 3.24Å; M29-F32 PolarHBondContact O-N 3Å; I30-F32 PolarHBondContact O-N 3.23Å; F32-C35 PolarHBondContact O-N 3.43Å; F32-F36 VanDerWaalsContact O-CB 3.25Å; F32-F36 WeakPolarHBondContact O-CB 2.93Å; F32-F36 PolarHBondContact O-N 3.23Å |
| 33 | L | 98.2 | Very high | 98.1 | Very high | 120 Ų | 120 | 85.7 Ų | 85.7 | 63% | 0.628 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 176.1 | -178.2 | 68.2 | 0 | 0 | 0 | 111.6 | M29 I30 I31 F36 L37 | M29-L33 WeakPolarHBondContact O-CB 3.49Å; M29-L33 PolarHBondContact O-N 3.06Å; I30-L33 WeakPolarHBondContact O-CB 3.37Å; I30-L33 PolarHBondContact O-N 3.48Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 3.41Å; L33-F36 PolarHBondContact O-N 3.33Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 2.9Å |
| 34 | I | 98.1 | Very high | 98 | Very high | 64 Ų | 64 | 87.5 Ų | 87.5 | 33% | 0.328 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 178.1 | -65.9 | 168 | 0 | 0 | 0 | 110.6 | I30 I31 F36 L37 I38 I72 | I30-I34 HydrophobicContact CG2-CD1 3.92Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 3.41Å; I31-I34 PolarHBondContact O-N 3Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 3.25Å; I34-L37 PolarHBondContact O-N 3.4Å; I34-I38 HydrophobicContact CG2-CD1 3.73Å; I34-I38 HydrophobicContact CG2-CG1 4.39Å; I34-I38 WeakPolarHBondContact O-CG1 3.38Å; I34-I38 PolarHBondContact O-N 3.44Å; I34-I72 HydrophobicContact CD1-CD1 4.37Å; I34-I72 HydrophobicContact CD1-CG2 4.36Å |
| 35 | C | 98.4 | Very high | 97.8 | Very high | 72 Ų | 72 | 88.4 Ų | 88.4 | 49% | 0.486 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 178.4 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | I31 F32 I38 L39 | I31-C35 WeakPolarHBondContact O-CB 3.48Å; I31-C35 PolarHBondContact O-N 3.21Å; I31-C35 PolarHBondContact O-SG 2.86Å; I31-C35 VanDerWaalsContact O-SG 3.34Å; F32-C35 PolarHBondContact O-N 3.43Å; C35-I38 PolarHBondContact O-N 2.93Å; C35-L39 VanDerWaalsContact O-CB 3.27Å; C35-L39 WeakPolarHBondContact O-CB 3.26Å; C35-L39 PolarHBondContact O-N 2.9Å |
| 36 | F | 98.4 | Very high | 97.7 | Very high | 139 Ų | 139 | 91 Ų | 91 | 61% | 0.61 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 176.1 | -179.6 | -97.2 | 0 | 0 | 0 | 111.8 | F32 L33 I34 I38 L39 Y40 | F32-F36 VanDerWaalsContact O-CB 3.25Å; F32-F36 WeakPolarHBondContact O-CB 2.93Å; F32-F36 PolarHBondContact O-N 3.23Å; L33-F36 PolarHBondContact O-N 3.33Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 3.25Å; F36-I38 PolarHBondContact O-N 3.41Å; F36-L39 PolarHBondContact O-N 2.91Å; F36-Y40 WeakPolarHBondContact O-CB 3.46Å; F36-Y40 PolarHBondContact O-N 3.22Å |
| 37 | L | 97.4 | Very high | 97.7 | Very high | 102 Ų | 102 | 91.5 Ų | 91.5 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 177.1 | 175.8 | 64.8 | 0 | 0 | 0 | 111.7 | L33 I34 Y40 A41 | L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 2.9Å; I34-L37 PolarHBondContact O-N 3.4Å; L37-Y40 PolarHBondContact O-N 3Å; L37-A41 WeakPolarHBondContact O-CB 3.06Å; L37-A41 PolarHBondContact O-N 3.49Å |
| 38 | I | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 94.2 Ų | 94.2 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 179.4 | -67.1 | 169.9 | 0 | 0 | 0 | 110.2 | I34 C35 F36 Y40 A41 L42 | I34-I38 HydrophobicContact CG2-CD1 3.73Å; I34-I38 HydrophobicContact CG2-CG1 4.39Å; I34-I38 WeakPolarHBondContact O-CG1 3.38Å; I34-I38 PolarHBondContact O-N 3.44Å; C35-I38 PolarHBondContact O-N 2.93Å; F36-I38 PolarHBondContact O-N 3.41Å; I38-Y40 VanDerWaalsContact C-N 3.31Å; I38-Y40 PolarHBondContact O-N 3.46Å; I38-A41 PolarHBondContact O-N 3.34Å; I38-L42 HydrophobicContact CG2-CD1 3.96Å; I38-L42 HydrophobicContact CG2-CG 4.44Å; I38-L42 WeakPolarHBondContact O-CB 3.5Å; I38-L42 WeakPolarHBondContact O-CG 3.37Å; I38-L42 PolarHBondContact O-N 2.91Å |
| 39 | L | 98.3 | Very high | 97.5 | Very high | 117 Ų | 117 | 101 Ų | 101 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 179.1 | -177.4 | 63.1 | 0 | 0 | 0 | 111.5 | C35 F36 L42 F43 | C35-L39 VanDerWaalsContact O-CB 3.27Å; C35-L39 WeakPolarHBondContact O-CB 3.26Å; C35-L39 PolarHBondContact O-N 2.9Å; F36-L39 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 3.07Å; L39-F43 WeakPolarHBondContact O-CB 3.49Å; L39-F43 PolarHBondContact O-N 3.23Å |
| 40 | Y | 98 | Very high | 97.4 | Very high | 122 Ų | 122 | 102.7 Ų | 102.7 | 48% | 0.478 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.5 | 178.6 | -108 | 0 | 0 | 0 | 112.1 | F36 L37 I38 L42 F43 L44 | F36-Y40 WeakPolarHBondContact O-CB 3.46Å; F36-Y40 PolarHBondContact O-N 3.22Å; L37-Y40 PolarHBondContact O-N 3Å; I38-Y40 VanDerWaalsContact C-N 3.31Å; I38-Y40 PolarHBondContact O-N 3.46Å; Y40-L42 PolarHBondContact O-N 3.47Å; Y40-F43 WeakPolarHBondContact O-CB 3.39Å; Y40-F43 PolarHBondContact O-N 3.44Å; Y40-L44 HydrophobicContact CD1-CD1 3.91Å; Y40-L44 HydrophobicContact CD1-CG 4.44Å; Y40-L44 HydrophobicContact CE1-CD1 3.33Å; Y40-L44 HydrophobicContact CE1-CG 4.05Å; Y40-L44 HydrophobicContact CE2-CD1 4.32Å; Y40-L44 HydrophobicContact CE2-CD2 4.25Å; Y40-L44 HydrophobicContact CE2-CG 4.17Å; Y40-L44 WeakPolarHBondContact O-CG 3.25Å; Y40-L44 PolarHBondContact O-N 3.47Å |
| 41 | A | 96.6 | Very high | 97.2 | Very high | 45 Ų | 45 | 108 Ų | 108 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.4 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L37 I38 L44 T45 | L37-A41 WeakPolarHBondContact O-CB 3.06Å; L37-A41 PolarHBondContact O-N 3.49Å; I38-A41 PolarHBondContact O-N 3.34Å; A41-L44 PolarHBondContact O-N 3.18Å; A41-T45 WeakPolarHBondContact O-CG2 3.21Å; A41-T45 PolarHBondContact O-N 3.19Å; A41-T45 PolarHBondContact O-OG1 3Å |
| 42 | L | 97 | Very high | 96.9 | Very high | 92 Ų | 92 | 109.7 Ų | 109.7 | 48% | 0.482 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -44.8 | 173.1 | -73 | 171.7 | 0 | 0 | 0 | 111.4 | I38 L39 Y40 L44 T45 L46 | I38-L42 HydrophobicContact CG2-CD1 3.96Å; I38-L42 HydrophobicContact CG2-CG 4.44Å; I38-L42 WeakPolarHBondContact O-CB 3.5Å; I38-L42 WeakPolarHBondContact O-CG 3.37Å; I38-L42 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 3.07Å; Y40-L42 PolarHBondContact O-N 3.47Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 3.28Å; L42-T45 PolarHBondContact O-N 3.36Å; L42-T45 PolarHBondContact O-OG1 3.29Å; L42-T45 VanDerWaalsContact O-OG1 3.09Å; L42-L46 WeakPolarHBondContact O-CB 3.36Å; L42-L46 VanDerWaalsContact O-CG 3.23Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 3.3Å |
| 43 | F | 97.7 | Very high | 96.6 | Very high | 128 Ų | 128 | 109.6 Ų | 109.6 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.6 | -44.4 | 177 | -179.7 | -98 | 0 | 0 | 0 | 111.7 | L39 Y40 T47 | L39-F43 WeakPolarHBondContact O-CB 3.49Å; L39-F43 PolarHBondContact O-N 3.23Å; Y40-F43 WeakPolarHBondContact O-CB 3.39Å; Y40-F43 PolarHBondContact O-N 3.44Å; F43-T47 HydrophobicContact CD1-CG2 4.48Å; F43-T47 HydrophobicContact CD2-CG2 4.02Å; F43-T47 HydrophobicContact CE1-CG2 4.23Å; F43-T47 HydrophobicContact CE2-CG2 3.74Å; F43-T47 HydrophobicContact CG-CG2 4.38Å; F43-T47 HydrophobicContact CZ-CG2 3.86Å; F43-T47 WeakPolarHBondContact O-CB 3.41Å; F43-T47 WeakPolarHBondContact O-CG2 3.5Å; F43-T47 PolarHBondContact O-N 3.47Å; F43-T47 VanDerWaalsContact O-N 3.12Å; F43-T47 PolarHBondContact O-OG1 2.8Å |
| 44 | L | 97.1 | Very high | 96.5 | Very high | 81 Ų | 81 | 109.9 Ų | 109.9 | 42% | 0.424 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.3 | -46.8 | 177.6 | -73.1 | 178.3 | 0 | 0 | 0 | 112.7 | Y40 A41 L42 L46 T47 T48 | Y40-L44 HydrophobicContact CD1-CD1 3.91Å; Y40-L44 HydrophobicContact CD1-CG 4.44Å; Y40-L44 HydrophobicContact CE1-CD1 3.33Å; Y40-L44 HydrophobicContact CE1-CG 4.05Å; Y40-L44 HydrophobicContact CE2-CD1 4.32Å; Y40-L44 HydrophobicContact CE2-CD2 4.25Å; Y40-L44 HydrophobicContact CE2-CG 4.17Å; Y40-L44 WeakPolarHBondContact O-CG 3.25Å; Y40-L44 PolarHBondContact O-N 3.47Å; A41-L44 PolarHBondContact O-N 3.18Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 3.28Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 3.01Å; L44-T47 PolarHBondContact O-N 3.31Å; L44-T47 PolarHBondContact O-OG1 3.06Å; L44-T48 PolarHBondContact O-N 3.45Å |
| 45 | T | 94.1 | Very high | 96 | Very high | 94 Ų | 94 | 115.3 Ų | 115.3 | 58% | 0.577 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.4 | -31.8 | -177 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | A41 L42 | A41-T45 WeakPolarHBondContact O-CG2 3.21Å; A41-T45 PolarHBondContact O-N 3.19Å; A41-T45 PolarHBondContact O-OG1 3Å; L42-T45 PolarHBondContact O-N 3.36Å; L42-T45 PolarHBondContact O-OG1 3.29Å; L42-T45 VanDerWaalsContact O-OG1 3.09Å |
| 46 | L | 96.4 | Very high | 95.6 | Very high | 143 Ų | 143 | 116.3 Ų | 116.3 | 75% | 0.749 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.8 | -21.3 | 179 | -66.2 | 173.8 | 0 | 0 | 0 | 114.2 | L42 L44 | L42-L46 WeakPolarHBondContact O-CB 3.36Å; L42-L46 VanDerWaalsContact O-CG 3.23Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 3.3Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-L46 PolarHBondContact O-N 3.01Å |
| 47 | T | 97.3 | Very high | 95.4 | Very high | 77 Ų | 77 | 116.3 Ų | 116.3 | 47% | 0.472 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -98.1 | -15.3 | -175.2 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | F43 L44 | F43-T47 HydrophobicContact CD1-CG2 4.48Å; F43-T47 HydrophobicContact CD2-CG2 4.02Å; F43-T47 HydrophobicContact CE1-CG2 4.23Å; F43-T47 HydrophobicContact CE2-CG2 3.74Å; F43-T47 HydrophobicContact CG-CG2 4.38Å; F43-T47 HydrophobicContact CZ-CG2 3.86Å; F43-T47 WeakPolarHBondContact O-CB 3.41Å; F43-T47 WeakPolarHBondContact O-CG2 3.5Å; F43-T47 PolarHBondContact O-N 3.47Å; F43-T47 VanDerWaalsContact O-N 3.12Å; F43-T47 PolarHBondContact O-OG1 2.8Å; L44-T47 PolarHBondContact O-N 3.31Å; L44-T47 PolarHBondContact O-OG1 3.06Å |
| 48 | T | 96.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 113.1 Ų | 113.1 | 45% | 0.454 | 61% | 0.613 | S | S | . | * | trans | -71.2 | 139.8 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | L44 L50 | L44-T48 PolarHBondContact O-N 3.45Å; T48-L50 PolarHBondContact OG1-N 2.95Å | ||
| 49 | K | 96.1 | Very high | 95.1 | Very high | 202 Ų | 202 | 113.9 Ų | 113.9 | 88% | 0.878 | 61% | 0.614 | S | S | * | * | trans | -89.8 | -13.1 | 170.8 | -64.8 | -175.8 | -179.8 | 179.9 | 0 | 112.7 | ||||
| 50 | L | 96.6 | Very high | 95 | Very high | 151 Ų | 151 | 115.3 Ų | 115.3 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | trans | -74.9 | 138.4 | -179.5 | -60.1 | 175.7 | 0 | 0 | 0 | 109.3 | T48 | T48-L50 PolarHBondContact OG1-N 2.95Š| ||
| 51 | T | 94.8 | Very high | 94.8 | Very high | 131 Ų | 131 | 115.6 Ų | 115.6 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | trans | -116 | 138.1 | -179.6 | 55.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 52 | N | 91.6 | Very high | 94.8 | Very high | 122 Ų | 122 | 117.6 Ų | 117.6 | 65% | 0.652 | 63% | 0.627 | S | S | * | * | trans | -138 | 112.2 | 164.1 | -177.1 | 11.7 | 0 | 0 | 0 | 108 | N54 | N52-N54 PolarHBondContact OD1-N 2.99Š| ||
| 53 | T | 93.1 | Very high | 94.9 | Very high | 132 Ų | 132 | 116 Ų | 116 | 81% | 0.81 | 62% | 0.621 | S | S | * | * | trans | -109.5 | 3.7 | -178.4 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 54 | N | 94.4 | Very high | 94.8 | Very high | 127 Ų | 127 | 114.3 Ų | 114.3 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -75.3 | 146.1 | 176.6 | -65.4 | -31.5 | 0 | 0 | 0 | 109.6 | N52 S56 | N52-N54 PolarHBondContact OD1-N 2.99Å; N54-S56 PolarHBondContact O-N 2.95Å |
| 55 | I | 88.2 | Confident | 94.8 | Very high | 178 Ų | 178 | 116.6 Ų | 116.6 | 91% | 0.913 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 117.1 | 172.3 | -61.7 | 171.6 | 0 | 0 | 0 | 107.6 | ||
| 56 | S | 90.2 | Very high | 95 | Very high | 92 Ų | 92 | 116.3 Ų | 116.3 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 145.9 | 169.3 | 54.4 | 0 | 0 | 0 | 0 | 110 | N54 | N54-S56 PolarHBondContact O-N 2.95Š|
| 57 | D | 94 | Very high | 95.1 | Very high | 139 Ų | 139 | 114.1 Ų | 114.1 | 74% | 0.743 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 139.8 | 167.7 | -176.8 | 49 | 0 | 0 | 0 | 110.6 | ||
| 58 | A | 94.4 | Very high | 95.1 | Very high | 36 Ų | 36 | 114.8 Ų | 114.8 | 30% | 0.298 | 61% | 0.61 | S | S | . | * | trans | -112.6 | -9.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E60 M61 E62 | A58-E60 VanDerWaalsContact C-N 3.32Å; A58-E60 PolarHBondContact O-N 3.47Å; A58-M61 PolarHBondContact O-N 3.17Å; A58-E62 HydrophobicContact CB-CG 4.44Å; A58-E62 WeakPolarHBondContact O-CB 3.03Å; A58-E62 PolarHBondContact O-N 3.18Å | ||
| 59 | Q | 95.9 | Very high | 95.2 | Very high | 108 Ų | 108 | 114.2 Ų | 114.2 | 51% | 0.505 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -56.1 | -42.7 | -168.8 | -174.2 | 62.4 | 39.4 | 0 | 0 | 113.5 | E62 T63 | Q59-E62 PolarHBondContact O-N 3.31Å; Q59-T63 PolarHBondContact O-N 3.08Å; Q59-T63 PolarHBondContact O-OG1 3.22Å |
| 60 | E | 94.6 | Very high | 95.3 | Very high | 147 Ų | 147 | 107.1 Ų | 107.1 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -41.4 | 178.7 | -63.6 | -59.4 | 149.5 | 0 | 0 | 111.6 | A58 T63 V64 | A58-E60 VanDerWaalsContact C-N 3.32Å; A58-E60 PolarHBondContact O-N 3.47Å; E60-T63 PolarHBondContact O-N 3.44Å; E60-V64 WeakPolarHBondContact O-CG2 3.43Å; E60-V64 PolarHBondContact O-N 3.38Å |
| 61 | M | 94.5 | Very high | 95.4 | Very high | 129 Ų | 129 | 104.2 Ų | 104.2 | 64% | 0.635 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.8 | -38.9 | 179.4 | -160.2 | 178.9 | 168.8 | 0 | 0 | 111.4 | A58 T63 V64 W65 | A58-M61 PolarHBondContact O-N 3.17Å; M61-T63 VanDerWaalsContact C-N 3.31Å; M61-T63 PolarHBondContact O-N 2.91Å; M61-V64 PolarHBondContact O-N 3.38Å; M61-W65 HydrophobicContact CB-CE3 4.22Å; M61-W65 HydrophobicContact CB-CZ3 3.89Å; M61-W65 HydrophobicContact CE-CE3 3.89Å; M61-W65 HydrophobicContact CE-CZ3 3.68Å; M61-W65 HydrophobicContact CG-CE3 3.53Å; M61-W65 HydrophobicContact CG-CH2 4.42Å; M61-W65 HydrophobicContact CG-CZ3 3.39Å; M61-W65 PolarHBondContact O-N 3.28Å; M61-W65 HydrophobicContact SD-CE3 4.13Å; M61-W65 HydrophobicContact SD-CZ3 3.54Å; M61-W65 VanDerWaalsContact SD-CZ3 3.54Å |
| 62 | E | 97.4 | Very high | 95.5 | Very high | 87 Ų | 87 | 99.8 Ų | 99.8 | 41% | 0.407 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 174 | -84.1 | 179 | -164.4 | 0 | 0 | 112.7 | A58 Q59 W65 T66 | A58-E62 HydrophobicContact CB-CG 4.44Å; A58-E62 WeakPolarHBondContact O-CB 3.03Å; A58-E62 PolarHBondContact O-N 3.18Å; Q59-E62 PolarHBondContact O-N 3.31Å; E62-W65 VanDerWaalsContact CA-CE2 3.45Å; E62-W65 HydrophobicContact CB-CZ2 4.08Å; E62-W65 HydrophobicContact CG-CH2 3.81Å; E62-W65 HydrophobicContact CG-CZ2 3.15Å; E62-T66 VanDerWaalsContact O-CB 3.28Å; E62-T66 WeakPolarHBondContact O-CB 3.32Å; E62-T66 PolarHBondContact O-N 3.47Å; E62-T66 VanDerWaalsContact O-N 3.15Å; E62-T66 PolarHBondContact O-OG1 3.44Å |
| 63 | T | 97.6 | Very high | 95.9 | Very high | 58 Ų | 58 | 99.6 Ų | 99.6 | 36% | 0.356 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | Q59 E60 M61 T66 I67 | Q59-T63 PolarHBondContact O-N 3.08Å; Q59-T63 PolarHBondContact O-OG1 3.22Å; E60-T63 PolarHBondContact O-N 3.44Å; M61-T63 VanDerWaalsContact C-N 3.31Å; M61-T63 PolarHBondContact O-N 2.91Å; T63-T66 PolarHBondContact O-N 3.33Å; T63-I67 HydrophobicContact CG2-CD1 3.73Å; T63-I67 WeakPolarHBondContact O-CG1 3.34Å; T63-I67 PolarHBondContact O-N 3.33Å |
| 64 | V | 96.9 | Very high | 96.1 | Very high | 93 Ų | 93 | 97.2 Ų | 97.2 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -51.5 | 179.9 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | E60 M61 T66 I67 L68 | E60-V64 WeakPolarHBondContact O-CG2 3.43Å; E60-V64 PolarHBondContact O-N 3.38Å; M61-V64 PolarHBondContact O-N 3.38Å; V64-T66 PolarHBondContact O-N 2.77Å; V64-I67 PolarHBondContact O-N 2.94Å; V64-L68 VanDerWaalsContact O-CB 3.26Å; V64-L68 WeakPolarHBondContact O-CB 3.3Å; V64-L68 PolarHBondContact O-N 2.83Å |
| 65 | W | 96.8 | Very high | 96.3 | Very high | 129 Ų | 129 | 95.5 Ų | 95.5 | 49% | 0.489 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.4 | -6.9 | -177.8 | 71.4 | 49.1 | 0 | 0 | 0 | 113.7 | M61 E62 P69 | M61-W65 HydrophobicContact CB-CE3 4.22Å; M61-W65 HydrophobicContact CB-CZ3 3.89Å; M61-W65 HydrophobicContact CE-CE3 3.89Å; M61-W65 HydrophobicContact CE-CZ3 3.68Å; M61-W65 HydrophobicContact CG-CE3 3.53Å; M61-W65 HydrophobicContact CG-CH2 4.42Å; M61-W65 HydrophobicContact CG-CZ3 3.39Å; M61-W65 PolarHBondContact O-N 3.28Å; M61-W65 HydrophobicContact SD-CE3 4.13Å; M61-W65 HydrophobicContact SD-CZ3 3.54Å; M61-W65 VanDerWaalsContact SD-CZ3 3.54Å; E62-W65 VanDerWaalsContact CA-CE2 3.45Å; E62-W65 HydrophobicContact CB-CZ2 4.08Å; E62-W65 HydrophobicContact CG-CH2 3.81Å; E62-W65 HydrophobicContact CG-CZ2 3.15Å; W65-P69 VanDerWaalsContact C-CD 3.48Å; W65-P69 WeakPolarHBondContact O-CD 3.44Å; W65-P69 WeakPolarHBondContact O-CG 3.45Å |
| 66 | T | 98 | Very high | 96.8 | Very high | 88 Ų | 88 | 89.1 Ų | 89.1 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -92.1 | -47.2 | 173.5 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | E62 T63 V64 A70 | E62-T66 VanDerWaalsContact O-CB 3.28Å; E62-T66 WeakPolarHBondContact O-CB 3.32Å; E62-T66 PolarHBondContact O-N 3.47Å; E62-T66 VanDerWaalsContact O-N 3.15Å; E62-T66 PolarHBondContact O-OG1 3.44Å; T63-T66 PolarHBondContact O-N 3.33Å; V64-T66 PolarHBondContact O-N 2.77Å; T66-A70 PolarHBondContact O-N 2.91Å |
| 67 | I | 98.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 86.7 Ų | 86.7 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.5 | -41.5 | -178.7 | -65.7 | 174.9 | 0 | 0 | 0 | 111.2 | T63 V64 A70 I71 | T63-I67 HydrophobicContact CG2-CD1 3.73Å; T63-I67 WeakPolarHBondContact O-CG1 3.34Å; T63-I67 PolarHBondContact O-N 3.33Å; V64-I67 PolarHBondContact O-N 2.94Å; I67-A70 WeakPolarHBondContact O-CB 3.49Å; I67-A70 PolarHBondContact O-N 3.09Å; I67-I71 HydrophobicContact CG2-CD1 3.92Å; I67-I71 HydrophobicContact CG2-CG1 4.43Å; I67-I71 WeakPolarHBondContact O-CG1 3.37Å; I67-I71 PolarHBondContact O-N 3.19Å; I67-I71 VanDerWaalsContact O-N 3.07Å |
| 68 | L | 97.3 | Very high | 97.3 | Very high | 91 Ų | 91 | 85.4 Ų | 85.4 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | -175.5 | -179.4 | 68.4 | 0 | 0 | 0 | 112.6 | V64 A70 I71 I72 | V64-L68 VanDerWaalsContact O-CB 3.26Å; V64-L68 WeakPolarHBondContact O-CB 3.3Å; V64-L68 PolarHBondContact O-N 2.83Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 3.48Å; L68-I71 PolarHBondContact O-N 2.97Å; L68-I72 HydrophobicContact CG-CD1 4.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 3.47Å; L68-I72 VanDerWaalsContact O-N 3.09Å |
| 69 | P | 98.1 | Very high | 97.5 | Very high | 61 Ų | 61 | 85.7 Ų | 85.7 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 173.6 | -27 | 38.9 | 0 | 0 | 0 | 113.6 | W65 I71 I72 L73 | W65-P69 VanDerWaalsContact C-CD 3.48Å; W65-P69 WeakPolarHBondContact O-CD 3.44Å; W65-P69 WeakPolarHBondContact O-CG 3.45Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 2.87Å; P69-I72 PolarHBondContact O-N 2.96Å; P69-L73 WeakPolarHBondContact O-CG 3.31Å; P69-L73 PolarHBondContact O-N 3.25Å |
| 70 | A | 98.4 | Very high | 97.6 | Very high | 53 Ų | 53 | 82.9 Ų | 82.9 | 44% | 0.438 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T66 I67 L68 L73 V74 | T66-A70 PolarHBondContact O-N 2.91Å; I67-A70 WeakPolarHBondContact O-CB 3.49Å; I67-A70 PolarHBondContact O-N 3.09Å; L68-A70 VanDerWaalsContact C-N 3.3Å; L68-A70 PolarHBondContact O-N 3.48Å; A70-L73 PolarHBondContact O-N 3.21Å; A70-V74 WeakPolarHBondContact O-CG2 3.32Å; A70-V74 PolarHBondContact O-N 3.05Å |
| 71 | I | 98.4 | Very high | 97.8 | Very high | 91 Ų | 91 | 79.9 Ų | 79.9 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 174.5 | -65.8 | 169.3 | 0 | 0 | 0 | 110.7 | I67 L68 P69 L73 V74 L75 | I67-I71 HydrophobicContact CG2-CD1 3.92Å; I67-I71 HydrophobicContact CG2-CG1 4.43Å; I67-I71 WeakPolarHBondContact O-CG1 3.37Å; I67-I71 PolarHBondContact O-N 3.19Å; I67-I71 VanDerWaalsContact O-N 3.07Å; L68-I71 PolarHBondContact O-N 2.97Å; P69-I71 VanDerWaalsContact C-N 3.33Å; P69-I71 PolarHBondContact O-N 2.87Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 3.4Å; I71-V74 PolarHBondContact O-N 3.49Å; I71-V74 VanDerWaalsContact O-N 3.15Å; I71-L75 HydrophobicContact CG2-CD1 4.28Å; I71-L75 HydrophobicContact CG2-CG 4.49Å; I71-L75 WeakPolarHBondContact O-CG 3.28Å; I71-L75 PolarHBondContact O-N 2.96Å |
| 72 | I | 98.3 | Very high | 97.9 | Very high | 38 Ų | 38 | 81 Ų | 81 | 20% | 0.195 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 178.4 | -68.4 | 169.4 | 0 | 0 | 0 | 111.2 | I30 I34 L68 P69 V74 L75 I76 | I30-I72 HydrophobicContact CG2-CG2 3.46Å; I30-I72 VanDerWaalsContact CG2-CG2 3.46Å; I34-I72 HydrophobicContact CD1-CD1 4.37Å; I34-I72 HydrophobicContact CD1-CG2 4.36Å; L68-I72 HydrophobicContact CG-CD1 4.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.46Å; L68-I72 PolarHBondContact O-N 3.47Å; L68-I72 VanDerWaalsContact O-N 3.09Å; P69-I72 PolarHBondContact O-N 2.96Å; I72-V74 VanDerWaalsContact C-N 3.32Å; I72-V74 PolarHBondContact O-N 2.8Å; I72-L75 PolarHBondContact O-N 3.3Å; I72-I76 HydrophobicContact CG2-CD1 4.18Å; I72-I76 PolarHBondContact O-N 3.29Å; I72-I76 VanDerWaalsContact O-N 3.12Å |
| 73 | L | 98.5 | Very high | 97.9 | Very high | 117 Ų | 117 | 77.4 Ų | 77.4 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | 176.9 | -71.5 | 176.2 | 0 | 0 | 0 | 112 | P69 A70 I71 L75 I76 A77 | P69-L73 WeakPolarHBondContact O-CG 3.31Å; P69-L73 PolarHBondContact O-N 3.25Å; A70-L73 PolarHBondContact O-N 3.21Å; I71-L73 VanDerWaalsContact C-N 3.31Å; I71-L73 PolarHBondContact O-N 3.4Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.48Å; L73-I76 PolarHBondContact O-N 2.86Å; L73-A77 VanDerWaalsContact O-CB 3.25Å; L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 3.41Å |
| 74 | V | 98.4 | Very high | 97.8 | Very high | 82 Ų | 82 | 79.6 Ų | 79.6 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | A70 I71 I72 I76 A77 L78 | A70-V74 WeakPolarHBondContact O-CG2 3.32Å; A70-V74 PolarHBondContact O-N 3.05Å; I71-V74 PolarHBondContact O-N 3.49Å; I71-V74 VanDerWaalsContact O-N 3.15Å; I72-V74 VanDerWaalsContact C-N 3.32Å; I72-V74 PolarHBondContact O-N 2.8Å; V74-I76 VanDerWaalsContact C-N 3.26Å; V74-I76 PolarHBondContact O-N 3.43Å; V74-A77 PolarHBondContact O-N 3.23Å; V74-L78 HydrophobicContact CG1-CD1 4.04Å; V74-L78 HydrophobicContact CG1-CG 4.24Å; V74-L78 WeakPolarHBondContact O-CG 3.35Å; V74-L78 PolarHBondContact O-N 3.34Å; V74-L78 VanDerWaalsContact O-N 3.09Å |
| 75 | L | 97.9 | Very high | 97.7 | Very high | 92 Ų | 92 | 82.6 Ų | 82.6 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65 | -26.7 | 178.4 | -67.1 | 175.5 | 0 | 0 | 0 | 113.6 | H26 I71 I72 L73 P79 | H26-L75 PolarHBondContact NE2-O 2.88Å; H26-L75 VanDerWaalsContact NE2-O 3.08Å; I71-L75 HydrophobicContact CG2-CD1 4.28Å; I71-L75 HydrophobicContact CG2-CG 4.49Å; I71-L75 WeakPolarHBondContact O-CG 3.28Å; I71-L75 PolarHBondContact O-N 2.96Å; I72-L75 PolarHBondContact O-N 3.3Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.48Å; L75-P79 VanDerWaalsContact O-CD 3.24Å; L75-P79 WeakPolarHBondContact O-CD 3.27Å; L75-P79 WeakPolarHBondContact O-CG 3.34Å |
| 76 | I | 98.4 | Very high | 97.5 | Very high | 43 Ų | 43 | 79.5 Ų | 79.5 | 22% | 0.221 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -83.3 | -42 | 172.5 | -63.2 | 170.6 | 0 | 0 | 0 | 110.4 | F23 I30 I72 L73 V74 L78 P79 S80 | F23-I76 HydrophobicContact CE2-CG2 4.11Å; F23-I76 WeakPolarHBondContact CE2-O 3.42Å; F23-I76 HydrophobicContact CZ-CG2 4.06Å; I30-I76 HydrophobicContact CD1-CD1 4.21Å; I30-I76 HydrophobicContact CD1-CG1 3.63Å; I30-I76 HydrophobicContact CG2-CD1 4.16Å; I72-I76 HydrophobicContact CG2-CD1 4.18Å; I72-I76 PolarHBondContact O-N 3.29Å; I72-I76 VanDerWaalsContact O-N 3.12Å; L73-I76 PolarHBondContact O-N 2.86Å; V74-I76 VanDerWaalsContact C-N 3.26Å; V74-I76 PolarHBondContact O-N 3.43Å; I76-L78 PolarHBondContact O-N 3.48Å; I76-P79 WeakPolarHBondContact O-CD 3.47Å; I76-P79 WeakPolarHBondContact O-CG 3.36Å; I76-S80 WeakPolarHBondContact O-CB 3.2Å; I76-S80 PolarHBondContact O-N 3.49Å |
| 77 | A | 98.4 | Very high | 97.2 | Very high | 42 Ų | 42 | 78.2 Ų | 78.2 | 35% | 0.347 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L73 V74 S80 L81 | L73-A77 VanDerWaalsContact O-CB 3.25Å; L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 3.41Å; V74-A77 PolarHBondContact O-N 3.23Å; A77-S80 WeakPolarHBondContact O-CB 3.32Å; A77-S80 PolarHBondContact O-N 2.67Å; A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.23Å; A77-L81 PolarHBondContact O-N 2.93Å |
| 78 | L | 97.7 | Very high | 96.6 | Very high | 112 Ų | 112 | 79.5 Ų | 79.5 | 59% | 0.586 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.7 | -54.4 | -177.7 | -70.4 | 175.2 | 0 | 0 | 0 | 113.9 | V74 I76 S80 R82 | V74-L78 HydrophobicContact CG1-CD1 4.04Å; V74-L78 HydrophobicContact CG1-CG 4.24Å; V74-L78 WeakPolarHBondContact O-CG 3.35Å; V74-L78 PolarHBondContact O-N 3.34Å; V74-L78 VanDerWaalsContact O-N 3.09Å; I76-L78 PolarHBondContact O-N 3.48Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 2.98Å; L78-R82 PolarHBondContact O-N 3.41Å |
| 79 | P | 97.9 | Very high | 95.9 | Very high | 42 Ų | 42 | 81.2 Ų | 81.2 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 175.5 | 24.8 | -33.1 | 0 | 0 | 0 | 112.4 | F23 L75 I76 R82 I83 | F23-P79 HydrophobicContact CD2-CB 4.09Å; F23-P79 HydrophobicContact CD2-CG 4.07Å; F23-P79 HydrophobicContact CE2-CG 4.12Å; L75-P79 VanDerWaalsContact O-CD 3.24Å; L75-P79 WeakPolarHBondContact O-CD 3.27Å; L75-P79 WeakPolarHBondContact O-CG 3.34Å; I76-P79 WeakPolarHBondContact O-CD 3.47Å; I76-P79 WeakPolarHBondContact O-CG 3.36Å; P79-R82 PolarHBondContact O-N 3.38Å; P79-I83 WeakPolarHBondContact O-CG1 3.43Å; P79-I83 PolarHBondContact O-N 3.42Å; P79-I83 VanDerWaalsContact O-N 3.13Å |
| 80 | S | 98.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 82.6 Ų | 82.6 | 34% | 0.336 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | F23 I76 A77 L78 R82 I83 L84 | F23-S80 VanDerWaalsContact CZ-CB 3.5Å; I76-S80 WeakPolarHBondContact O-CB 3.2Å; I76-S80 PolarHBondContact O-N 3.49Å; A77-S80 WeakPolarHBondContact O-CB 3.32Å; A77-S80 PolarHBondContact O-N 2.67Å; L78-S80 VanDerWaalsContact C-N 3.32Å; L78-S80 PolarHBondContact O-N 2.98Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 2.93Å; S80-I83 PolarHBondContact O-N 2.9Å; S80-L84 PolarHBondContact O-N 3.48Å |
| 81 | L | 97.8 | Very high | 93.1 | Very high | 85 Ų | 85 | 84 Ų | 84 | 45% | 0.445 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 179.5 | -71 | 173.4 | 0 | 0 | 0 | 111.6 | A77 I83 L84 Y85 | A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.23Å; A77-L81 PolarHBondContact O-N 2.93Å; L81-I83 PolarHBondContact O-N 2.86Å; L81-L84 HydrophobicContact CD2-CD2 4.16Å; L81-L84 WeakPolarHBondContact O-CB 3.36Å; L81-L84 PolarHBondContact O-N 2.84Å; L81-Y85 WeakPolarHBondContact O-CD2 3.19Å; L81-Y85 PolarHBondContact O-N 3.01Å |
| 82 | R | 97.1 | Very high | 92.5 | Very high | 153 Ų | 153 | 87.2 Ų | 87.2 | 58% | 0.577 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -57.4 | -49.1 | 174.6 | 178.5 | -177 | 169 | -151.9 | -8.6 | 111.4 | L78 P79 S80 L84 Y85 M86 | L78-R82 PolarHBondContact O-N 3.41Å; P79-R82 PolarHBondContact O-N 3.38Å; S80-R82 VanDerWaalsContact C-N 3.32Å; S80-R82 PolarHBondContact O-N 2.93Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 3.43Å; R82-Y85 PolarHBondContact O-N 3.03Å; R82-M86 HydrophobicContact CG-SD 4.02Å; R82-M86 WeakPolarHBondContact O-CG 3.33Å; R82-M86 PolarHBondContact O-N 3.09Å |
| 83 | I | 96.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 86.4 Ų | 86.4 | 5% | 0.051 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 179.8 | -64.1 | 169.3 | 0 | 0 | 0 | 111.2 | E19 L20 F23 P79 S80 L81 Y85 M86 T87 | E19-I83 HydrophobicContact CB-CD1 4.1Å; E19-I83 HydrophobicContact CB-CG1 4.17Å; L20-I83 HydrophobicContact CD2-CG2 3.91Å; L20-I83 HydrophobicContact CG-CG2 4.37Å; F23-I83 HydrophobicContact CB-CD1 3.44Å; F23-I83 VanDerWaalsContact CB-CD1 3.44Å; F23-I83 HydrophobicContact CG-CD1 3.97Å; P79-I83 WeakPolarHBondContact O-CG1 3.43Å; P79-I83 PolarHBondContact O-N 3.42Å; P79-I83 VanDerWaalsContact O-N 3.13Å; S80-I83 PolarHBondContact O-N 2.9Å; L81-I83 PolarHBondContact O-N 2.86Å; I83-Y85 PolarHBondContact O-N 3.29Å; I83-M86 PolarHBondContact O-N 3.37Å; I83-T87 PolarHBondContact O-N 2.66Å; I83-T87 PolarHBondContact O-OG1 3.12Å |
| 84 | L | 96.9 | Very high | 91.8 | Very high | 104 Ų | 104 | 84.7 Ų | 84.7 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55.1 | -50.9 | 175 | 177.9 | 66.9 | 0 | 0 | 0 | 111.1 | S80 L81 R82 T87 D88 | S80-L84 PolarHBondContact O-N 3.48Å; L81-L84 HydrophobicContact CD2-CD2 4.16Å; L81-L84 WeakPolarHBondContact O-CB 3.36Å; L81-L84 PolarHBondContact O-N 2.84Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 3.43Å; L84-T87 PolarHBondContact O-N 2.92Å; L84-D88 PolarHBondContact O-N 2.94Å |
| 85 | Y | 94.8 | Very high | 91.5 | Very high | 156 Ų | 156 | 80.9 Ų | 80.9 | 61% | 0.612 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.9 | -37.8 | 178.8 | -74.2 | -69.6 | 0 | 0 | 0 | 112.6 | L81 R82 I83 T87 D88 E89 | L81-Y85 WeakPolarHBondContact O-CD2 3.19Å; L81-Y85 PolarHBondContact O-N 3.01Å; R82-Y85 PolarHBondContact O-N 3.03Å; I83-Y85 PolarHBondContact O-N 3.29Å; Y85-T87 PolarHBondContact O-N 3.01Å; Y85-D88 PolarHBondContact O-N 2.9Å; Y85-E89 PolarHBondContact O-N 2.86Å; Y85-E89 VanDerWaalsContact O-N 3.07Å |
| 86 | M | 92.2 | Very high | 91.3 | Very high | 64 Ų | 64 | 77.8 Ų | 77.8 | 32% | 0.315 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -31.6 | 174.4 | -72.6 | 174.7 | 61.5 | 0 | 0 | 113 | I16 E19 R82 I83 | I16-M86 HydrophobicContact CD1-CB 4.32Å; E19-M86 HydrophobicContact CG-CE 4.29Å; R82-M86 HydrophobicContact CG-SD 4.02Å; R82-M86 WeakPolarHBondContact O-CG 3.33Å; R82-M86 PolarHBondContact O-N 3.09Å; I83-M86 PolarHBondContact O-N 3.37Å |
| 87 | T | 91.5 | Very high | 91.1 | Very high | 61 Ų | 61 | 75.7 Ų | 75.7 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -78.7 | -30.5 | 179 | -51.8 | 0 | 0 | 0 | 0 | 112 | I16 I83 L84 Y85 | I16-T87 HydrophobicContact CG2-CG2 4.41Å; I83-T87 PolarHBondContact O-N 2.66Å; I83-T87 PolarHBondContact O-OG1 3.12Å; L84-T87 PolarHBondContact O-N 2.92Å; Y85-T87 PolarHBondContact O-N 3.01Å |
| 88 | D | 86.4 | Confident | 91.1 | Very high | 125 Ų | 125 | 76.5 Ų | 76.5 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -84.8 | -15.6 | -179.8 | -159.8 | 47.6 | 0 | 0 | 0 | 113 | L84 Y85 V90 | L84-D88 PolarHBondContact O-N 2.94Å; Y85-D88 PolarHBondContact O-N 2.9Å; D88-V90 PolarHBondContact O-N 3.04Å |
| 89 | E | 81.4 | Confident | 91.1 | Very high | 127 Ų | 127 | 71.2 Ų | 71.2 | 59% | 0.593 | 37% | 0.369 | S | S | * | . | trans | -60.2 | 103.2 | 172.3 | -83.8 | -179.5 | -174.3 | 0 | 0 | 110.6 | Y85 N91 | Y85-E89 PolarHBondContact O-N 2.86Å; Y85-E89 VanDerWaalsContact O-N 3.07Å; E89-N91 PolarHBondContact O-N 3.22Å | ||
| 90 | V | 67.4 | Low | 91.2 | Very high | 89 Ų | 89 | 69.5 Ų | 69.5 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | trans | -73.5 | 98.1 | 177.3 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | D88 | D88-V90 PolarHBondContact O-N 3.04Š| ||
| 91 | N | 70.8 | Confident | 91.2 | Very high | 84 Ų | 84 | 67.2 Ų | 67.2 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | trans | -64.7 | 144.3 | 166.5 | -64.7 | -54.3 | 0 | 0 | 0 | 109.8 | E89 P93 P149 | E89-N91 PolarHBondContact O-N 3.22Å; N91-P93 WeakPolarHBondContact O-CD 3.48Å; N91-P149 HydrophobicContact CB-CB 4.46Å | ||
| 92 | D | 86 | Confident | 91.2 | Very high | 157 Ų | 157 | 63.9 Ų | 63.9 | 84% | 0.84 | 32% | 0.324 | S | S | * | . | trans | -64.5 | 99.9 | 175.7 | -137.6 | 0.2 | 0 | 0 | 0 | 108.4 | ||||
| 93 | P | 90.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 14% | 0.143 | 32% | 0.315 | C | S | . | . | trans | -83.6 | 141.8 | -164.8 | 28 | -20.4 | 0 | 0 | 0 | 110.4 | N91 P149 R151 | N91-P93 WeakPolarHBondContact O-CD 3.48Å; P93-P149 WeakPolarHBondContact CA-O 3.27Å; P93-R151 HydrophobicContact CB-CB 3.75Å; P93-R151 VanDerWaalsContact CD-NH2 3.25Å; P93-R151 HydrophobicContact CG-CB 3.7Å; P93-R151 HydrophobicContact CG-CG 4.47Å | ||
| 94 | S | 91.3 | Very high | 91.3 | Very high | 81 Ų | 81 | 63.8 Ų | 63.8 | 57% | 0.566 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -85.5 | -15.9 | -178.8 | -44.4 | 0 | 0 | 0 | 0 | 113 | P149 | S94-P149 PolarHBondContact N-O 3.4Š|
| 95 | L | 91.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 130.6 | 180 | 175.3 | 52.5 | 0 | 0 | 0 | 110.6 | I97 D112 Y113 L144 P145 I150 R151 F219 | L95-I97 HydrophobicContact CD1-CD1 4.42Å; L95-I97 HydrophobicContact CD1-CG1 4.12Å; L95-I97 HydrophobicContact CD2-CD1 3.92Å; L95-I97 HydrophobicContact CD2-CG1 4.49Å; L95-I97 HydrophobicContact CG-CD1 4.03Å; L95-I97 HydrophobicContact CG-CG1 4.11Å; L95-D112 HydrophobicContact CD1-CB 4.37Å; L95-Y113 HydrophobicContact CD1-CD2 3.85Å; L95-Y113 HydrophobicContact CD1-CE2 3.59Å; L95-L144 HydrophobicContact CD2-CD2 4.45Å; L95-P145 HydrophobicContact CD2-CG 4.13Å; L95-I150 HydrophobicContact CB-CG1 4.41Å; L95-R151 PolarHBondContact O-N 2.91Å; L95-F219 HydrophobicContact CD2-CE1 4.16Å; L95-F219 HydrophobicContact CD2-CZ 3.78Å |
| 96 | T | 94 | Very high | 91.6 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 16% | 0.16 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.3 | 172 | -55.7 | 0 | 0 | 0 | 0 | 111 | D112 R151 M153 | T96-D112 PolarHBondContact N-OD2 3.36Å; T96-R151 WeakPolarHBondContact CA-O 3.46Å; T96-R151 HydrophobicContact CG2-CB 4.38Å; T96-R151 HydrophobicContact CG2-CG 4.29Å; T96-M153 HydrophobicContact CG2-CG 3.72Å |
| 97 | I | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.6 | 176.6 | -66.8 | 163.9 | 0 | 0 | 0 | 109.2 | L95 Y108 E109 Y110 L144 R151 M152 M153 | L95-I97 HydrophobicContact CD1-CD1 4.42Å; L95-I97 HydrophobicContact CD1-CG1 4.12Å; L95-I97 HydrophobicContact CD2-CD1 3.92Å; L95-I97 HydrophobicContact CD2-CG1 4.49Å; L95-I97 HydrophobicContact CG-CD1 4.03Å; L95-I97 HydrophobicContact CG-CG1 4.11Å; I97-Y108 HydrophobicContact CG2-CD1 4.35Å; I97-E109 WeakPolarHBondContact CA-O 3.35Å; I97-Y110 HydrophobicContact CD1-CD1 3.74Å; I97-Y110 HydrophobicContact CD1-CE1 3.33Å; I97-Y110 HydrophobicContact CD1-CE2 4.45Å; I97-Y110 HydrophobicContact CD1-CG 4.47Å; I97-Y110 HydrophobicContact CG1-CD1 3.81Å; I97-Y110 HydrophobicContact CG1-CE1 3.91Å; I97-Y110 HydrophobicContact CG1-CG 4.18Å; I97-Y110 HydrophobicContact CG2-CE2 4.33Å; I97-L144 HydrophobicContact CD1-CD2 2.96Å; I97-L144 HydrophobicContact CD1-CG 4.44Å; I97-L144 HydrophobicContact CG1-CD2 4.46Å; I97-R151 PolarHBondContact N-O 2.97Å; I97-M152 HydrophobicContact CB-CE 4.37Å; I97-M152 HydrophobicContact CB-SD 3.85Å; I97-M152 HydrophobicContact CG2-CE 4.01Å; I97-M152 HydrophobicContact CG2-SD 4.12Å; I97-M152 CarbonylContact O-C 3.52Å; I97-M152 WeakPolarHBondContact O-CA 3.2Å; I97-M153 PolarHBondContact O-N 2.79Å |
| 98 | K | 97.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 26% | 0.257 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.2 | 172.2 | -158.8 | -177.3 | -65.7 | 146 | 0 | 110.3 | I100 Y108 E109 M153 T155 L179 | K98-I100 HydrophobicContact CD-CD1 4.01Å; K98-I100 HydrophobicContact CD-CG1 3.97Å; K98-I100 HydrophobicContact CG-CG1 4.09Å; K98-Y108 CarbonylContact O-C 3.56Å; K98-Y108 VanDerWaalsContact O-CA 3.28Å; K98-Y108 WeakPolarHBondContact O-CA 3.49Å; K98-E109 HydrophobicContact CB-CB 4.04Å; K98-E109 HydrophobicContact CB-CG 4.39Å; K98-E109 WeakPolarHBondContact CD-OE2 3.4Å; K98-E109 WeakPolarHBondContact CE-OE2 3.43Å; K98-E109 PolarHBondContact N-O 3.24Å; K98-E109 IonicContact NZ-OE2 3.61Å; K98-E109 PolarHBondContact NZ-OE2 3.11Å; K98-E109 PolarHBondContact O-N 2.74Å; K98-M153 CarbonylContact C-O 3.53Å; K98-M153 VanDerWaalsContact CA-O 3.26Å; K98-M153 WeakPolarHBondContact CA-O 3.33Å; K98-M153 HydrophobicContact CG-CB 4.18Å; K98-M153 WeakPolarHBondContact CG-O 3.16Å; K98-T155 HydrophobicContact CD-CG2 4.48Å; K98-L179 HydrophobicContact CD-CD1 4.37Å; K98-L179 HydrophobicContact CG-CD1 4.34Å |
| 99 | S | 98.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.7 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | W106 Y108 M153 I154 T155 W163 | S99-W106 VanDerWaalsContact OG-CE3 3.25Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.27Å; S99-M153 PolarHBondContact N-O 2.79Å; S99-I154 WeakPolarHBondContact O-CA 3.07Å; S99-T155 PolarHBondContact O-N 3.41Å; S99-W163 PolarHBondContact OG-NE1 3.46Å |
| 100 | I | 98.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.7 | -177.9 | -52.5 | 176.2 | 0 | 0 | 0 | 108.2 | K98 H102 W106 T107 E109 T155 Q157 | K98-I100 HydrophobicContact CD-CD1 4.01Å; K98-I100 HydrophobicContact CD-CG1 3.97Å; K98-I100 HydrophobicContact CG-CG1 4.09Å; I100-H102 WeakPolarHBondContact CG2-NE2 3.24Å; I100-H102 PolarHBondContact O-CD2 3.01Å; I100-H102 VanDerWaalsContact O-CD2 3.28Å; I100-W106 WeakPolarHBondContact O-CA 3.46Å; I100-T107 PolarHBondContact N-O 2.91Å; I100-T107 PolarHBondContact O-N 3.08Å; I100-E109 HydrophobicContact CD1-CG 4.24Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.43Å; I100-T155 CarbonylContact C-O 3.48Å; I100-T155 WeakPolarHBondContact CA-O 3.25Å; I100-T155 HydrophobicContact CG1-CG2 4.03Å; I100-T155 HydrophobicContact CG2-CG2 4.41Å; I100-Q157 HydrophobicContact CG2-CB 4.21Å; I100-Q157 HydrophobicContact CG2-CG 3.6Å |
| 101 | G | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 137.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T155 S156 Q157 | G101-T155 PolarHBondContact N-O 2.86Å; G101-S156 PolarHBondContact O-OG 2.93Å; G101-Q157 PolarHBondContact O-N 2.87Å; G101-Q157 VanDerWaalsContact O-N 3.1Å |
| 102 | H | 98.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 159 | 173 | -59.3 | -104.4 | 0 | 0 | 0 | 110.2 | I100 W104 Y105 T107 Q157 D158 H161 M207 | I100-H102 WeakPolarHBondContact CG2-NE2 3.24Å; I100-H102 PolarHBondContact O-CD2 3.01Å; I100-H102 VanDerWaalsContact O-CD2 3.28Å; H102-W104 CarbonylContact O-C 3.54Å; H102-W104 WeakPolarHBondContact O-CA 3.37Å; H102-W104 PolarHBondContact O-N 3.22Å; H102-Y105 HydrophobicContact CB-CD1 3.82Å; H102-Y105 HydrophobicContact CB-CD2 4.34Å; H102-Y105 HydrophobicContact CB-CE1 3.51Å; H102-Y105 HydrophobicContact CB-CE2 4.07Å; H102-Y105 HydrophobicContact CB-CG 4.22Å; H102-Y105 AromaticContact CD2-CE2 3.75Å; H102-Y105 AromaticContact CD2-CZ 3.98Å; H102-Y105 AromaticContact CG-CE2 3.9Å; H102-Y105 AromaticContact CG-CZ 3.65Å; H102-Y105 PolarHBondContact N-O 3.46Å; H102-Y105 AromaticContact ND1-CZ 3.96Å; H102-Y105 PolarHBondContact O-N 2.88Å; H102-Y105 VanDerWaalsContact O-O 3.07Å; H102-T107 PolarHBondContact CD2-OG1 2.95Å; H102-T107 VanDerWaalsContact CD2-OG1 3.26Å; H102-T107 PolarHBondContact NE2-OG1 3.2Å; H102-Q157 VanDerWaalsContact CE1-CD 3.41Å; H102-Q157 PolarHBondContact CE1-OE1 2.94Å; H102-D158 VanDerWaalsContact CA-OD2 3.26Å; H102-D158 WeakPolarHBondContact CA-OD2 3.44Å; H102-H161 VanDerWaalsContact C-CE1 3.46Å; H102-H161 PolarHBondContact O-CE1 3.15Å; H102-M207 WeakPolarHBondContact O-CE 3.49Å |
| 103 | Q | 98.4 | Very high | 93.8 | Very high | 84 Ų | 84 | 33.8 Ų | 33.8 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 106.1 | 166.1 | -67.3 | -173.8 | -55.7 | 0 | 0 | 109.7 | D158 V159 C200 | Q103-D158 PolarHBondContact N-OD2 2.95Å; Q103-V159 HydrophobicContact CG-CG2 3.88Å; Q103-C200 PolarHBondContact NE2-O 3.05Å |
| 104 | W | 97.6 | Very high | 92.9 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -130.6 | 78.4 | -6.5 | -63.3 | -85 | 0 | 0 | 0 | 109.2 | H102 C200 A202 N203 M207 | H102-W104 CarbonylContact O-C 3.54Å; H102-W104 WeakPolarHBondContact O-CA 3.37Å; H102-W104 PolarHBondContact O-N 3.22Å; W104-C200 PolarHBondContact NE1-O 3.14Å; W104-A202 HydrophobicContact CH2-CB 3.93Å; W104-A202 HydrophobicContact CZ2-CB 3.72Å; W104-N203 HydrophobicContact CB-CB 3.72Å; W104-N203 HydrophobicContact CD2-CB 3.5Å; W104-N203 HydrophobicContact CE3-CB 3.83Å; W104-N203 HydrophobicContact CG-CB 3.45Å; W104-N203 VanDerWaalsContact CG-CB 3.45Å; W104-M207 HydrophobicContact CB-CB 4.35Å; W104-M207 HydrophobicContact CB-SD 4.15Å |
| 105 | Y | 98.7 | Very high | 92.4 | Very high | 45 Ų | 45 | 35 Ų | 35 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 172 | -178.8 | 67.3 | -84 | 0 | 0 | 0 | 110.1 | H102 T107 N119 S120 Y121 | H102-Y105 HydrophobicContact CB-CD1 3.82Å; H102-Y105 HydrophobicContact CB-CD2 4.34Å; H102-Y105 HydrophobicContact CB-CE1 3.51Å; H102-Y105 HydrophobicContact CB-CE2 4.07Å; H102-Y105 HydrophobicContact CB-CG 4.22Å; H102-Y105 AromaticContact CD2-CE2 3.75Å; H102-Y105 AromaticContact CD2-CZ 3.98Å; H102-Y105 AromaticContact CG-CE2 3.9Å; H102-Y105 AromaticContact CG-CZ 3.65Å; H102-Y105 PolarHBondContact N-O 3.46Å; H102-Y105 AromaticContact ND1-CZ 3.96Å; H102-Y105 PolarHBondContact O-N 2.88Å; H102-Y105 VanDerWaalsContact O-O 3.07Å; Y105-T107 WeakPolarHBondContact CE2-OG1 3.37Å; Y105-N119 HydrophobicContact CD2-CB 3.99Å; Y105-N119 HydrophobicContact CE2-CB 4.08Å; Y105-S120 WeakPolarHBondContact CB-O 3.24Å; Y105-Y121 VanDerWaalsContact CB-CD1 3.45Å; Y105-Y121 HydrophobicContact CD1-CD1 4.28Å; Y105-Y121 AromaticContact CD1-CE1 3.33Å; Y105-Y121 HydrophobicContact CD1-CE1 3.33Å; Y105-Y121 AromaticContact CD1-CZ 3.62Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.45Å; Y105-Y121 HydrophobicContact CD2-CE1 4.05Å; Y105-Y121 HydrophobicContact CD2-CE2 4.17Å; Y105-Y121 AromaticContact CD2-CZ 3.7Å; Y105-Y121 HydrophobicContact CE1-CE1 4.09Å; Y105-Y121 VanDerWaalsContact CE1-OH 3.29Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.47Å; Y105-Y121 WeakPolarHBondContact CE2-OH 3.34Å; Y105-Y121 AromaticContact CG-CD1 3.96Å; Y105-Y121 HydrophobicContact CG-CD1 3.96Å; Y105-Y121 AromaticContact CG-CE1 3.31Å; Y105-Y121 HydrophobicContact CG-CE1 3.31Å; Y105-Y121 HydrophobicContact CG-CE2 4.23Å; Y105-Y121 AromaticContact CG-CZ 3.45Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.45Å |
| 106 | W | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.8 | 175.8 | -65.9 | 94 | 0 | 0 | 0 | 110.5 | S99 I100 Y108 N119 S120 H161 W163 A174 C196 M207 I209 | S99-W106 VanDerWaalsContact OG-CE3 3.25Å; I100-W106 WeakPolarHBondContact O-CA 3.46Å; W106-Y108 HydrophobicContact CB-CD2 4.42Å; W106-Y108 HydrophobicContact CB-CE2 3.59Å; W106-N119 CarbonylContact O-C 3.57Å; W106-S120 PolarHBondContact N-O 2.85Å; W106-S120 PolarHBondContact O-N 3.11Å; W106-H161 HydrophobicContact CH2-CB 3.75Å; W106-H161 HydrophobicContact CZ2-CB 4.14Å; W106-W163 AromaticContact CE3-CD1 3.8Å; W106-W163 HydrophobicContact CH2-CB 3.69Å; W106-W163 HydrophobicContact CH2-CG 4.31Å; W106-W163 HydrophobicContact CZ2-CB 4.31Å; W106-W163 HydrophobicContact CZ3-CB 3.95Å; W106-W163 AromaticContact CZ3-CD1 3.81Å; W106-W163 HydrophobicContact CZ3-CG 4.3Å; W106-A174 HydrophobicContact CH2-CB 4.13Å; W106-A174 HydrophobicContact CZ3-CB 4.09Å; W106-C196 HydrophobicContact CZ2-CB 4.32Å; W106-M207 HydrophobicContact CD2-CE 4.18Å; W106-M207 HydrophobicContact CG-CE 4.44Å; W106-M207 HydrophobicContact CZ2-CE 3.84Å; W106-M207 PolarHBondContact NE1-O 3.49Å; W106-M207 VanDerWaalsContact NE1-O 3.16Å; W106-I209 HydrophobicContact CG-CG1 4.42Å; W106-I209 HydrophobicContact CZ2-CD1 4.16Å |
| 107 | T | 98.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.4 | 169.2 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | I100 H102 Y105 I117 F118 N119 | I100-T107 PolarHBondContact N-O 2.91Å; I100-T107 PolarHBondContact O-N 3.08Å; H102-T107 PolarHBondContact CD2-OG1 2.95Å; H102-T107 VanDerWaalsContact CD2-OG1 3.26Å; H102-T107 PolarHBondContact NE2-OG1 3.2Å; Y105-T107 WeakPolarHBondContact CE2-OG1 3.37Å; T107-I117 HydrophobicContact CG2-CG2 3.69Å; T107-F118 WeakPolarHBondContact CA-O 3.23Å; T107-N119 PolarHBondContact OG1-OD1 2.96Å |
| 108 | Y | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.4 | 177.1 | -63.9 | -85.2 | 0 | 0 | 0 | 110.9 | I97 K98 S99 W106 I117 F118 V142 M152 W163 | I97-Y108 HydrophobicContact CG2-CD1 4.35Å; K98-Y108 CarbonylContact O-C 3.56Å; K98-Y108 VanDerWaalsContact O-CA 3.28Å; K98-Y108 WeakPolarHBondContact O-CA 3.49Å; S99-Y108 WeakPolarHBondContact OG-CE1 3.27Å; W106-Y108 HydrophobicContact CB-CD2 4.42Å; W106-Y108 HydrophobicContact CB-CE2 3.59Å; Y108-I117 WeakPolarHBondContact O-CA 3.36Å; Y108-F118 AromaticContact CD2-CE2 3.91Å; Y108-F118 HydrophobicContact CD2-CE2 3.91Å; Y108-F118 HydrophobicContact CD2-CZ 4.34Å; Y108-F118 HydrophobicContact CG-CE2 4.4Å; Y108-F118 HydrophobicContact CG-CZ 4.41Å; Y108-F118 PolarHBondContact N-O 3.09Å; Y108-F118 PolarHBondContact O-N 2.79Å; Y108-V142 HydrophobicContact CD1-CG1 4.24Å; Y108-V142 HydrophobicContact CD1-CG2 3.67Å; Y108-V142 HydrophobicContact CD2-CG2 3.5Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.5Å; Y108-V142 HydrophobicContact CE1-CG1 4.44Å; Y108-V142 HydrophobicContact CE1-CG2 3.48Å; Y108-V142 VanDerWaalsContact CE1-CG2 3.48Å; Y108-V142 HydrophobicContact CE2-CG2 3.3Å; Y108-V142 HydrophobicContact CG-CG2 3.67Å; Y108-M152 HydrophobicContact CD1-CE 4.45Å; Y108-M152 HydrophobicContact CE1-CE 4.3Å; Y108-W163 AromaticContact CE1-NE1 3.61Å; Y108-W163 AromaticContact CZ-NE1 3.71Å; Y108-W163 PolarHBondContact OH-NE1 3.37Å |
| 109 | E | 95.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.9 | 177.6 | -48.7 | -179 | 162.7 | 0 | 0 | 110.4 | I97 K98 I100 T111 L116 I117 | I97-E109 WeakPolarHBondContact CA-O 3.35Å; K98-E109 HydrophobicContact CB-CB 4.04Å; K98-E109 HydrophobicContact CB-CG 4.39Å; K98-E109 WeakPolarHBondContact CD-OE2 3.4Å; K98-E109 WeakPolarHBondContact CE-OE2 3.43Å; K98-E109 PolarHBondContact N-O 3.24Å; K98-E109 IonicContact NZ-OE2 3.61Å; K98-E109 PolarHBondContact NZ-OE2 3.11Å; K98-E109 PolarHBondContact O-N 2.74Å; I100-E109 HydrophobicContact CD1-CG 4.24Å; I100-E109 WeakPolarHBondContact CD1-OE1 3.43Å; E109-T111 HydrophobicContact CB-CG2 4.47Å; E109-L116 WeakPolarHBondContact CA-O 3.35Å; E109-I117 HydrophobicContact CB-CG1 4.22Å; E109-I117 HydrophobicContact CG-CD1 4.26Å; E109-I117 HydrophobicContact CG-CG1 3.98Å; E109-I117 HydrophobicContact CG-CG2 4.25Å |
| 110 | Y | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 85.2 | 174.1 | -68 | -114.4 | 0 | 0 | 0 | 108.3 | I97 D112 G115 L116 F118 V142 V143 L144 F219 V224 | I97-Y110 HydrophobicContact CD1-CD1 3.74Å; I97-Y110 HydrophobicContact CD1-CE1 3.33Å; I97-Y110 HydrophobicContact CD1-CE2 4.45Å; I97-Y110 HydrophobicContact CD1-CG 4.47Å; I97-Y110 HydrophobicContact CG1-CD1 3.81Å; I97-Y110 HydrophobicContact CG1-CE1 3.91Å; I97-Y110 HydrophobicContact CG1-CG 4.18Å; I97-Y110 HydrophobicContact CG2-CE2 4.33Å; Y110-D112 VanDerWaalsContact C-N 3.34Å; Y110-D112 PolarHBondContact O-N 2.9Å; Y110-G115 WeakPolarHBondContact O-CA 3.49Å; Y110-G115 PolarHBondContact O-N 3.28Å; Y110-L116 HydrophobicContact CD2-CD2 4.31Å; Y110-L116 PolarHBondContact N-O 3Å; Y110-L116 PolarHBondContact O-N 3.42Å; Y110-F118 HydrophobicContact CD2-CE1 4.03Å; Y110-F118 HydrophobicContact CE2-CD1 4.48Å; Y110-F118 AromaticContact CE2-CE1 3.42Å; Y110-F118 HydrophobicContact CE2-CE1 3.42Å; Y110-F118 VanDerWaalsContact CE2-CE1 3.42Å; Y110-F118 AromaticContact CE2-CZ 3.88Å; Y110-F118 HydrophobicContact CE2-CZ 3.88Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.21Å; Y110-V143 PolarHBondContact OH-N 3.1Å; Y110-V143 PolarHBondContact OH-O 2.73Å; Y110-V143 VanDerWaalsContact OH-O 3.04Å; Y110-L144 HydrophobicContact CE1-CD2 4.3Å; Y110-F219 HydrophobicContact CE1-CE2 4.34Å; Y110-F219 HydrophobicContact CE1-CZ 4.42Å; Y110-V224 HydrophobicContact CE1-CG1 4.33Å |
| 111 | T | 81.6 | Confident | 92.3 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 48% | 0.479 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -30.3 | -173.5 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | E109 Y113 | E109-T111 HydrophobicContact CB-CG2 4.47Å; T111-Y113 VanDerWaalsContact C-N 3.27Å; T111-Y113 PolarHBondContact O-N 3.3Å |
| 112 | D | 82.3 | Confident | 92.3 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 48% | 0.476 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -20.1 | -176.7 | -59.6 | -15.2 | 0 | 0 | 0 | 112.4 | L95 T96 Y110 | L95-D112 HydrophobicContact CD1-CB 4.37Å; T96-D112 PolarHBondContact N-OD2 3.36Å; Y110-D112 VanDerWaalsContact C-N 3.34Å; Y110-D112 PolarHBondContact O-N 2.9Å |
| 113 | Y | 72.8 | Confident | 92.2 | Very high | 79 Ų | 79 | 48.6 Ų | 48.6 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 65.3 | -176.9 | -69 | -86.5 | 0 | 0 | 0 | 112.4 | L95 T111 G115 F219 F225 | L95-Y113 HydrophobicContact CD1-CD2 3.85Å; L95-Y113 HydrophobicContact CD1-CE2 3.59Å; T111-Y113 VanDerWaalsContact C-N 3.27Å; T111-Y113 PolarHBondContact O-N 3.3Å; Y113-G115 VanDerWaalsContact C-N 3.27Å; Y113-G115 PolarHBondContact O-N 2.84Å; Y113-F219 HydrophobicContact CD2-CE1 4.48Å; Y113-F219 AromaticContact CE2-CE1 3.86Å; Y113-F219 HydrophobicContact CE2-CE1 3.86Å; Y113-F219 HydrophobicContact CE2-CZ 4.28Å; Y113-F219 AromaticContact CZ-CE1 3.91Å; Y113-F225 HydrophobicContact CD1-CZ 4.02Å; Y113-F225 AromaticContact CG-CZ 3.97Å; Y113-F225 HydrophobicContact CG-CZ 3.97Å |
| 114 | G | 71.7 | Confident | 92.1 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 89% | 0.887 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 9.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 115 | G | 80.7 | Confident | 91.9 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 37.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y110 Y113 I117 | Y110-G115 WeakPolarHBondContact O-CA 3.49Å; Y110-G115 PolarHBondContact O-N 3.28Å; Y113-G115 VanDerWaalsContact C-N 3.27Å; Y113-G115 PolarHBondContact O-N 2.84Å; G115-I117 PolarHBondContact O-N 2.82Å |
| 116 | L | 88.9 | Confident | 91.7 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 129.7 | 172.4 | 172.4 | 71.9 | 0 | 0 | 0 | 109.8 | E109 Y110 F118 V224 F225 | E109-L116 WeakPolarHBondContact CA-O 3.35Å; Y110-L116 HydrophobicContact CD2-CD2 4.31Å; Y110-L116 PolarHBondContact N-O 3Å; Y110-L116 PolarHBondContact O-N 3.42Å; L116-F118 HydrophobicContact CD2-CD1 4.28Å; L116-F118 HydrophobicContact CD2-CE1 4.32Å; L116-F118 HydrophobicContact CG-CD1 4.21Å; L116-V224 HydrophobicContact CD2-CG1 3.8Å; L116-V224 WeakPolarHBondContact CD2-O 3.29Å; L116-F225 HydrophobicContact CB-CD1 4.49Å; L116-F225 HydrophobicContact CB-CE1 4.45Å; L116-F225 HydrophobicContact CD2-CD1 4.09Å; L116-F225 HydrophobicContact CD2-CE1 4.26Å |
| 117 | I | 94.1 | Very high | 91.5 | Very high | 98 Ų | 98 | 60.3 Ų | 60.3 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.5 | 178.1 | -56 | 176.8 | 0 | 0 | 0 | 108.5 | T107 Y108 E109 G115 | T107-I117 HydrophobicContact CG2-CG2 3.69Å; Y108-I117 WeakPolarHBondContact O-CA 3.36Å; E109-I117 HydrophobicContact CB-CG1 4.22Å; E109-I117 HydrophobicContact CG-CD1 4.26Å; E109-I117 HydrophobicContact CG-CG1 3.98Å; E109-I117 HydrophobicContact CG-CG2 4.25Å; G115-I117 PolarHBondContact O-N 2.82Å |
| 118 | F | 95.2 | Very high | 91.4 | Very high | 33 Ų | 33 | 62 Ų | 62 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 159.6 | 173.9 | 63.3 | -93.8 | 0 | 0 | 0 | 112 | T107 Y108 Y110 L116 N140 | T107-F118 WeakPolarHBondContact CA-O 3.23Å; Y108-F118 AromaticContact CD2-CE2 3.91Å; Y108-F118 HydrophobicContact CD2-CE2 3.91Å; Y108-F118 HydrophobicContact CD2-CZ 4.34Å; Y108-F118 HydrophobicContact CG-CE2 4.4Å; Y108-F118 HydrophobicContact CG-CZ 4.41Å; Y108-F118 PolarHBondContact N-O 3.09Å; Y108-F118 PolarHBondContact O-N 2.79Å; Y110-F118 HydrophobicContact CD2-CE1 4.03Å; Y110-F118 HydrophobicContact CE2-CD1 4.48Å; Y110-F118 AromaticContact CE2-CE1 3.42Å; Y110-F118 HydrophobicContact CE2-CE1 3.42Å; Y110-F118 VanDerWaalsContact CE2-CE1 3.42Å; Y110-F118 AromaticContact CE2-CZ 3.88Å; Y110-F118 HydrophobicContact CE2-CZ 3.88Å; L116-F118 HydrophobicContact CD2-CD1 4.28Å; L116-F118 HydrophobicContact CD2-CE1 4.32Å; L116-F118 HydrophobicContact CG-CD1 4.21Å; F118-N140 HydrophobicContact CD2-CB 3.64Å; F118-N140 HydrophobicContact CE2-CB 3.93Å |
| 119 | N | 97.9 | Very high | 91.3 | Very high | 57 Ų | 57 | 69 Ų | 69 | 31% | 0.305 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 145.5 | 175.9 | -61.3 | -6.9 | 0 | 0 | 0 | 109.9 | Y105 W106 T107 Y121 N140 | Y105-N119 HydrophobicContact CD2-CB 3.99Å; Y105-N119 HydrophobicContact CE2-CB 4.08Å; W106-N119 CarbonylContact O-C 3.57Å; T107-N119 PolarHBondContact OG1-OD1 2.96Å; N119-Y121 HydrophobicContact CB-CD2 4.09Å; N119-Y121 HydrophobicContact CB-CE2 3.49Å; N119-Y121 VanDerWaalsContact CB-CE2 3.49Å; N119-N140 WeakPolarHBondContact O-CB 3.41Å; N119-N140 PolarHBondContact O-ND2 2.96Å |
| 120 | S | 98.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.007 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 108.1 | 178.6 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | Y105 W106 V138 D139 N140 | Y105-S120 WeakPolarHBondContact CB-O 3.24Å; W106-S120 PolarHBondContact N-O 2.85Å; W106-S120 PolarHBondContact O-N 3.11Å; S120-V138 WeakPolarHBondContact OG-CB 3.26Å; S120-D139 WeakPolarHBondContact CA-OD1 3.41Å; S120-N140 WeakPolarHBondContact CB-O 3.32Å; S120-N140 PolarHBondContact OG-O 3.46Å |
| 121 | Y | 98.5 | Very high | 91.3 | Very high | 91 Ų | 91 | 77.6 Ų | 77.6 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | trans | -108.3 | 147 | 177.9 | -67.9 | -89.4 | 0 | 0 | 0 | 110.5 | Y105 N119 L123 V138 D139 | Y105-Y121 VanDerWaalsContact CB-CD1 3.45Å; Y105-Y121 HydrophobicContact CD1-CD1 4.28Å; Y105-Y121 AromaticContact CD1-CE1 3.33Å; Y105-Y121 HydrophobicContact CD1-CE1 3.33Å; Y105-Y121 AromaticContact CD1-CZ 3.62Å; Y105-Y121 WeakPolarHBondContact CD1-OH 3.45Å; Y105-Y121 HydrophobicContact CD2-CE1 4.05Å; Y105-Y121 HydrophobicContact CD2-CE2 4.17Å; Y105-Y121 AromaticContact CD2-CZ 3.7Å; Y105-Y121 HydrophobicContact CE1-CE1 4.09Å; Y105-Y121 VanDerWaalsContact CE1-OH 3.29Å; Y105-Y121 WeakPolarHBondContact CE1-OH 3.47Å; Y105-Y121 WeakPolarHBondContact CE2-OH 3.34Å; Y105-Y121 AromaticContact CG-CD1 3.96Å; Y105-Y121 HydrophobicContact CG-CD1 3.96Å; Y105-Y121 AromaticContact CG-CE1 3.31Å; Y105-Y121 HydrophobicContact CG-CE1 3.31Å; Y105-Y121 HydrophobicContact CG-CE2 4.23Å; Y105-Y121 AromaticContact CG-CZ 3.45Å; Y105-Y121 VanDerWaalsContact CG-CZ 3.45Å; N119-Y121 HydrophobicContact CB-CD2 4.09Å; N119-Y121 HydrophobicContact CB-CE2 3.49Å; N119-Y121 VanDerWaalsContact CB-CE2 3.49Å; Y121-L123 PolarHBondContact O-N 3.22Å; Y121-V138 CarbonylContact O-C 3.6Å; Y121-V138 WeakPolarHBondContact O-CA 3.02Å; Y121-V138 VanDerWaalsContact O-CB 3.28Å; Y121-V138 WeakPolarHBondContact O-CB 3.31Å; Y121-D139 PolarHBondContact N-OD1 3.22Å; Y121-D139 PolarHBondContact O-N 3.38Å | ||
| 122 | M | 98.4 | Very high | 92 | Very high | 37 Ų | 37 | 76.4 Ų | 76.4 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -60.2 | 133.9 | 169.4 | -170.5 | -175.6 | 73.2 | 0 | 0 | 110.9 | P124 L135 F206 P208 | M122-P124 VanDerWaalsContact O-CD 3.29Å; M122-P124 WeakPolarHBondContact O-CD 3.31Å; M122-L135 HydrophobicContact CE-CD2 4.26Å; M122-L135 HydrophobicContact SD-CB 4.15Å; M122-L135 HydrophobicContact SD-CD2 3.92Å; M122-F206 WeakPolarHBondContact CB-O 3.48Å; M122-F206 HydrophobicContact CE-CB 3.7Å; M122-F206 HydrophobicContact CE-CD1 3.82Å; M122-F206 HydrophobicContact CE-CG 4.03Å; M122-F206 HydrophobicContact SD-CB 3.72Å; M122-F206 HydrophobicContact SD-CD1 3.82Å; M122-F206 HydrophobicContact SD-CG 4.23Å; M122-P208 HydrophobicContact CB-CG 3.99Å; M122-P208 HydrophobicContact CG-CG 3.95Å |
| 123 | L | 97.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 74.2 Ų | 74.2 | 20% | 0.199 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 124 | 171.3 | -72.5 | 175.7 | 0 | 0 | 0 | 110.6 | Y121 L128 D137 D139 | Y121-L123 PolarHBondContact O-N 3.22Å; L123-L128 HydrophobicContact CB-CD2 3.87Å; L123-D137 HydrophobicContact CD1-CB 4.13Å; L123-D137 PolarHBondContact N-O 2.84Å; L123-D139 HydrophobicContact CD2-CB 4.11Å |
| 124 | P | 96.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 78.4 Ų | 78.4 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 150.4 | 172.8 | -20.7 | 30.8 | 0 | 0 | 0 | 111.6 | M122 L126 F127 | M122-P124 VanDerWaalsContact O-CD 3.29Å; M122-P124 WeakPolarHBondContact O-CD 3.31Å; P124-L126 PolarHBondContact O-N 2.92Å; P124-F127 HydrophobicContact CB-CD2 3.9Å; P124-F127 HydrophobicContact CB-CE2 4.43Å; P124-F127 HydrophobicContact CG-CD2 3.77Å; P124-F127 HydrophobicContact CG-CE2 4.16Å; P124-F127 PolarHBondContact O-N 3.21Å |
| 125 | P | 93.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 76.1 Ų | 76.1 | 58% | 0.578 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -54.9 | -24.8 | -178.3 | -28.1 | 35.1 | 0 | 0 | 0 | 115.8 | F127 L128 | P125-F127 VanDerWaalsContact C-N 3.3Å; P125-L128 HydrophobicContact CB-CD1 4.49Å |
| 126 | L | 95.4 | Very high | 96 | Very high | 164 Ų | 164 | 75.5 Ų | 75.5 | 86% | 0.859 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -72.8 | -20.1 | 178.2 | -69.8 | 165.5 | 0 | 0 | 0 | 113.6 | P124 | P124-L126 PolarHBondContact O-N 2.92Š|
| 127 | F | 94.3 | Very high | 96.4 | Very high | 143 Ų | 143 | 73.8 Ų | 73.8 | 63% | 0.627 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -108.2 | 4.5 | -178 | -61.2 | -69.6 | 0 | 0 | 0 | 113 | P124 P125 | P124-F127 HydrophobicContact CB-CD2 3.9Å; P124-F127 HydrophobicContact CB-CE2 4.43Å; P124-F127 HydrophobicContact CG-CD2 3.77Å; P124-F127 HydrophobicContact CG-CE2 4.16Å; P124-F127 PolarHBondContact O-N 3.21Å; P125-F127 VanDerWaalsContact C-N 3.3Å |
| 128 | L | 95.8 | Very high | 96.6 | Very high | 46 Ų | 46 | 69.4 Ų | 69.4 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | trans | -73.6 | 131.7 | 176.8 | -65 | 174.6 | 0 | 0 | 0 | 110.3 | L123 P125 D132 R134 | L123-L128 HydrophobicContact CB-CD2 3.87Å; P125-L128 HydrophobicContact CB-CD1 4.49Å; L128-D132 HydrophobicContact CB-CB 4.15Å; L128-D132 HydrophobicContact CD2-CB 3.71Å; L128-D132 HydrophobicContact CG-CB 4.47Å; L128-R134 HydrophobicContact CD1-CB 4.14Å; L128-R134 HydrophobicContact CD1-CG 4.31Å | ||
| 129 | E | 96.1 | Very high | 96.6 | Very high | 145 Ų | 145 | 71.4 Ų | 71.4 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | trans | -88.5 | 159.4 | 171.4 | -61.9 | -165.5 | 158.5 | 0 | 0 | 111.1 | G131 D132 | E129-G131 PolarHBondContact O-N 3.36Å; E129-D132 PolarHBondContact N-OD2 2.89Å; E129-D132 WeakPolarHBondContact O-CB 3.29Å; E129-D132 PolarHBondContact O-N 3.04Å | ||
| 130 | P | 95.9 | Very high | 96.5 | Very high | 143 Ų | 143 | 70.7 Ų | 70.7 | 93% | 0.929 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 112.6 | 174.6 | -24.3 | 34.8 | 0 | 0 | 0 | 111.9 | ||
| 131 | G | 93.7 | Very high | 96.5 | Very high | 73 Ų | 73 | 73.8 Ų | 73.8 | 75% | 0.753 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.5 | -21.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E129 | E129-G131 PolarHBondContact O-N 3.36Š|
| 132 | D | 96.2 | Very high | 96.3 | Very high | 54 Ų | 54 | 69.4 Ų | 69.4 | 29% | 0.289 | 37% | 0.373 | S | S | . | . | trans | -70.4 | 152.9 | 177.6 | -65.7 | -18 | 0 | 0 | 0 | 112.3 | L128 E129 D137 | L128-D132 HydrophobicContact CB-CB 4.15Å; L128-D132 HydrophobicContact CD2-CB 3.71Å; L128-D132 HydrophobicContact CG-CB 4.47Å; E129-D132 PolarHBondContact N-OD2 2.89Å; E129-D132 WeakPolarHBondContact O-CB 3.29Å; E129-D132 PolarHBondContact O-N 3.04Å; D132-D137 WeakPolarHBondContact CA-OD2 3.27Å | ||
| 133 | L | 97.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 68.3 Ų | 68.3 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | trans | -100.4 | 111 | -176 | -59.3 | 171.6 | 0 | 0 | 0 | 109.9 | M1 L135 L136 D137 Y193 | M1-L133 HydrophobicContact CE-CD1 3.74Å; M1-L133 HydrophobicContact CE-CD2 3.81Å; M1-L133 HydrophobicContact CE-CG 4.33Å; M1-L133 HydrophobicContact SD-CD1 3.18Å; M1-L133 WeakPolarHBondContact SD-CD1 3.3Å; M1-L133 HydrophobicContact SD-CD2 3.79Å; M1-L133 HydrophobicContact SD-CG 4.1Å; L133-L135 PolarHBondContact O-N 3.28Å; L133-L136 HydrophobicContact CB-CB 3.85Å; L133-L136 HydrophobicContact CB-CD1 4.31Å; L133-L136 HydrophobicContact CD1-CD1 4.27Å; L133-L136 PolarHBondContact O-N 3.12Å; L133-D137 WeakPolarHBondContact CB-OD2 3.42Å; L133-D137 PolarHBondContact N-OD2 3.28Å; L133-D137 PolarHBondContact O-N 2.81Å; L133-D137 VanDerWaalsContact O-N 3.11Å; L133-Y193 HydrophobicContact CD1-CD1 4.36Å; L133-Y193 HydrophobicContact CD1-CD2 4.29Å; L133-Y193 HydrophobicContact CD1-CE1 3.83Å; L133-Y193 HydrophobicContact CD1-CE2 3.75Å; L133-Y193 VanDerWaalsContact CD1-CZ 3.49Å | ||
| 134 | R | 97.6 | Very high | 96.1 | Very high | 166 Ų | 166 | 66.5 Ų | 66.5 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 127.7 | 174.1 | -168 | -169.9 | 64.4 | 88.7 | 3 | 110.8 | L128 L136 | L128-R134 HydrophobicContact CD1-CB 4.14Å; L128-R134 HydrophobicContact CD1-CG 4.31Å; R134-L136 PolarHBondContact O-N 2.86Å |
| 135 | L | 97.8 | Very high | 96.1 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 20% | 0.199 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | -0.9 | -179.1 | -44.7 | -174.1 | 0 | 0 | 0 | 116.6 | M122 L133 F206 P208 | M122-L135 HydrophobicContact CE-CD2 4.26Å; M122-L135 HydrophobicContact SD-CB 4.15Å; M122-L135 HydrophobicContact SD-CD2 3.92Å; L133-L135 PolarHBondContact O-N 3.28Å; L135-F206 HydrophobicContact CD1-CE1 4.13Å; L135-F206 HydrophobicContact CD2-CD1 3.83Å; L135-F206 HydrophobicContact CD2-CE1 3.75Å; L135-P208 WeakPolarHBondContact O-CG 3.43Å |
| 136 | L | 98.2 | Very high | 96.3 | Very high | 30 Ų | 30 | 60.6 Ų | 60.6 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -39.5 | -176.4 | -71 | -179.5 | 0 | 0 | 0 | 112.7 | M1 L133 R134 Y193 Q195 P208 V210 | M1-L136 HydrophobicContact CE-CD1 3.88Å; L133-L136 HydrophobicContact CB-CB 3.85Å; L133-L136 HydrophobicContact CB-CD1 4.31Å; L133-L136 HydrophobicContact CD1-CD1 4.27Å; L133-L136 PolarHBondContact O-N 3.12Å; R134-L136 PolarHBondContact O-N 2.86Å; L136-Y193 HydrophobicContact CB-CD1 3.75Å; L136-Y193 HydrophobicContact CB-CE1 4.16Å; L136-Q195 HydrophobicContact CD2-CG 3.81Å; L136-P208 WeakPolarHBondContact O-CB 3.43Å; L136-P208 WeakPolarHBondContact O-CG 3.46Å; L136-V210 WeakPolarHBondContact O-CG2 3.39Å |
| 137 | D | 97.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | trans | -70.6 | 149.3 | 177.5 | -80.2 | -60.5 | 0 | 0 | 0 | 112.4 | L123 D132 L133 R141 Y193 | L123-D137 HydrophobicContact CD1-CB 4.13Å; L123-D137 PolarHBondContact N-O 2.84Å; D132-D137 WeakPolarHBondContact CA-OD2 3.27Å; L133-D137 WeakPolarHBondContact CB-OD2 3.42Å; L133-D137 PolarHBondContact N-OD2 3.28Å; L133-D137 PolarHBondContact O-N 2.81Å; L133-D137 VanDerWaalsContact O-N 3.11Å; D137-R141 IonicContact OD1-CZ 3.73Å; D137-R141 IonicContact OD1-NE 2.92Å; D137-R141 IonicContact OD1-NH2 3.87Å; D137-R141 PolarHBondContact OD1-NH2 3.26Å; D137-Y193 WeakPolarHBondContact OD1-CE1 3.28Å; D137-Y193 PolarHBondContact OD1-OH 2.82Å; D137-Y193 VanDerWaalsContact OD1-OH 3.05Å | ||
| 138 | V | 98.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -126.4 | 159.7 | -176.7 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | S120 Y121 N140 R141 P208 V210 | S120-V138 WeakPolarHBondContact OG-CB 3.26Å; Y121-V138 CarbonylContact O-C 3.6Å; Y121-V138 WeakPolarHBondContact O-CA 3.02Å; Y121-V138 VanDerWaalsContact O-CB 3.28Å; Y121-V138 WeakPolarHBondContact O-CB 3.31Å; V138-N140 VanDerWaalsContact CG2-O 3.31Å; V138-N140 WeakPolarHBondContact CG2-O 3.48Å; V138-R141 HydrophobicContact CG2-CG 3.94Å; V138-P208 HydrophobicContact CG1-CG 3.69Å; V138-V210 HydrophobicContact CB-CG2 4.34Å; V138-V210 HydrophobicContact CG1-CG2 3.95Å; V138-V210 HydrophobicContact CG2-CB 3.7Å; V138-V210 HydrophobicContact CG2-CG2 3.62Å |
| 139 | D | 96 | Very high | 96.1 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 40% | 0.401 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -65.1 | -45.4 | 173.7 | 57.9 | -4.4 | 0 | 0 | 0 | 112.4 | S120 Y121 L123 | S120-D139 WeakPolarHBondContact CA-OD1 3.41Å; Y121-D139 PolarHBondContact N-OD1 3.22Å; Y121-D139 PolarHBondContact O-N 3.38Å; L123-D139 HydrophobicContact CD2-CB 4.11Å |
| 140 | N | 95.7 | Very high | 96 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 22% | 0.219 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -123.5 | 115.8 | -179.1 | -60.4 | -66.7 | 0 | 0 | 0 | 110.5 | F118 N119 S120 V138 | F118-N140 HydrophobicContact CD2-CB 3.64Å; F118-N140 HydrophobicContact CE2-CB 3.93Å; N119-N140 WeakPolarHBondContact O-CB 3.41Å; N119-N140 PolarHBondContact O-ND2 2.96Å; S120-N140 WeakPolarHBondContact CB-O 3.32Å; S120-N140 PolarHBondContact OG-O 3.46Å; V138-N140 VanDerWaalsContact CG2-O 3.31Å; V138-N140 WeakPolarHBondContact CG2-O 3.48Å |
| 141 | R | 96.6 | Very high | 96 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 25% | 0.249 | 22% | 0.221 | C | C | . | . | trans | -83.7 | 152.7 | 176.4 | -61.2 | -177.9 | 174 | 165.8 | -2.1 | 110.9 | D137 V138 V143 V210 E212 | D137-R141 IonicContact OD1-CZ 3.73Å; D137-R141 IonicContact OD1-NE 2.92Å; D137-R141 IonicContact OD1-NH2 3.87Å; D137-R141 PolarHBondContact OD1-NH2 3.26Å; V138-R141 HydrophobicContact CG2-CG 3.94Å; R141-V143 PolarHBondContact O-N 3.25Å; R141-V210 HydrophobicContact CB-CG1 4.36Å; R141-V210 HydrophobicContact CG-CB 4.03Å; R141-V210 HydrophobicContact CG-CG1 3.71Å; R141-E212 HydrophobicContact CB-CB 4.33Å; R141-E212 WeakPolarHBondContact CD-OE2 3.39Å; R141-E212 IonicContact NH1-OE2 3.83Å | ||
| 142 | V | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 102.6 | 173.3 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | Y108 Y110 L144 V210 L211 E212 | Y108-V142 HydrophobicContact CD1-CG1 4.24Å; Y108-V142 HydrophobicContact CD1-CG2 3.67Å; Y108-V142 HydrophobicContact CD2-CG2 3.5Å; Y108-V142 VanDerWaalsContact CD2-CG2 3.5Å; Y108-V142 HydrophobicContact CE1-CG1 4.44Å; Y108-V142 HydrophobicContact CE1-CG2 3.48Å; Y108-V142 VanDerWaalsContact CE1-CG2 3.48Å; Y108-V142 HydrophobicContact CE2-CG2 3.3Å; Y108-V142 HydrophobicContact CG-CG2 3.67Å; Y110-V142 WeakPolarHBondContact OH-CG1 3.21Å; V142-L144 HydrophobicContact CG1-CD1 4.17Å; V142-L144 HydrophobicContact CG1-CD2 3.97Å; V142-L144 HydrophobicContact CG1-CG 4.01Å; V142-V210 PolarHBondContact N-O 3.26Å; V142-L211 HydrophobicContact CB-CD2 3.58Å; V142-L211 HydrophobicContact CG1-CD2 3.81Å; V142-L211 HydrophobicContact CG2-CD2 4.18Å; V142-L211 CarbonylContact O-C 3.52Å; V142-L211 WeakPolarHBondContact O-CA 3.26Å; V142-E212 PolarHBondContact O-N 2.95Å |
| 143 | V | 95.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128 | -178.5 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | Y110 R141 E212 I214 F219 V224 | Y110-V143 PolarHBondContact OH-N 3.1Å; Y110-V143 PolarHBondContact OH-O 2.73Å; Y110-V143 VanDerWaalsContact OH-O 3.04Å; R141-V143 PolarHBondContact O-N 3.25Å; V143-E212 CarbonylContact C-O 3.59Å; V143-E212 VanDerWaalsContact CA-O 3.29Å; V143-E212 WeakPolarHBondContact CA-O 3.45Å; V143-E212 HydrophobicContact CG2-CB 4.33Å; V143-I214 HydrophobicContact CG1-CD1 3.42Å; V143-I214 VanDerWaalsContact CG1-CD1 3.42Å; V143-I214 HydrophobicContact CG1-CG1 3.8Å; V143-F219 HydrophobicContact CG1-CD2 4.32Å; V143-F219 VanDerWaalsContact O-CE2 3.32Å; V143-F219 WeakPolarHBondContact O-CE2 3.28Å; V143-V224 HydrophobicContact CB-CG1 4.36Å; V143-V224 HydrophobicContact CB-CG2 3.69Å; V143-V224 HydrophobicContact CG1-CG2 3.67Å; V143-V224 HydrophobicContact CG2-CG2 4.43Å |
| 144 | L | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154 | -174.9 | -54.6 | 172.2 | 0 | 0 | 0 | 111.9 | L95 I97 Y110 V142 I150 F184 L211 E212 L213 I214 | L95-L144 HydrophobicContact CD2-CD2 4.45Å; I97-L144 HydrophobicContact CD1-CD2 2.96Å; I97-L144 HydrophobicContact CD1-CG 4.44Å; I97-L144 HydrophobicContact CG1-CD2 4.46Å; Y110-L144 HydrophobicContact CE1-CD2 4.3Å; V142-L144 HydrophobicContact CG1-CD1 4.17Å; V142-L144 HydrophobicContact CG1-CD2 3.97Å; V142-L144 HydrophobicContact CG1-CG 4.01Å; L144-I150 HydrophobicContact CB-CD1 3.86Å; L144-I150 HydrophobicContact CD1-CD1 4.2Å; L144-I150 HydrophobicContact CD2-CD1 4.45Å; L144-I150 HydrophobicContact CG-CD1 4.42Å; L144-F184 HydrophobicContact CD1-CE2 4.42Å; L144-F184 HydrophobicContact CD1-CZ 3.74Å; L144-L211 HydrophobicContact CD1-CD1 4.28Å; L144-L211 HydrophobicContact CD1-CD2 3.92Å; L144-E212 PolarHBondContact N-O 3.22Å; L144-L213 HydrophobicContact CB-CD2 3.56Å; L144-L213 HydrophobicContact CD1-CD2 3.95Å; L144-L213 HydrophobicContact CG-CD2 4.16Å; L144-L213 VanDerWaalsContact O-CA 3.31Å; L144-L213 WeakPolarHBondContact O-CA 3.25Å; L144-I214 PolarHBondContact O-N 3.48Å |
| 145 | P | 95.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 141.8 | 174.6 | 31.2 | -34.2 | 0 | 0 | 0 | 112.6 | L95 T148 I150 I214 L216 F219 | L95-P145 HydrophobicContact CD2-CG 4.13Å; P145-T148 HydrophobicContact CG-CG2 4.17Å; P145-I150 HydrophobicContact CG-CD1 4.47Å; P145-I214 CarbonylContact C-O 3.57Å; P145-I214 VanDerWaalsContact CA-O 3.27Å; P145-I214 WeakPolarHBondContact CA-O 3.45Å; P145-L216 HydrophobicContact CB-CB 4.15Å; P145-L216 HydrophobicContact CB-CD1 3.72Å; P145-L216 HydrophobicContact CG-CD1 4.17Å; P145-F219 HydrophobicContact CB-CB 4.34Å; P145-F219 HydrophobicContact CB-CD1 4.41Å; P145-F219 HydrophobicContact CB-CG 4.29Å; P145-F219 HydrophobicContact CG-CD1 4.28Å; P145-F219 HydrophobicContact CG-CE1 4.47Å; P145-F219 HydrophobicContact CG-CG 4.44Å |
| 146 | I | 96.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 11% | 0.108 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 164.1 | 166.4 | 62.7 | 175 | 0 | 0 | 0 | 111.5 | T148 R188 P189 L213 I214 | I146-T148 PolarHBondContact O-N 3.25Å; I146-T148 PolarHBondContact O-OG1 3.49Å; I146-R188 WeakPolarHBondContact CG2-O 3.47Å; I146-P189 HydrophobicContact CD1-CB 4.44Å; I146-P189 HydrophobicContact CG2-CB 4.27Å; I146-L213 HydrophobicContact CG2-CB 3.62Å; I146-I214 PolarHBondContact N-O 3.41Å |
| 147 | E | 95 | Very high | 96.4 | Very high | 147 Ų | 147 | 32.3 Ų | 32.3 | 69% | 0.687 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 18.1 | 174.6 | -59.2 | -177.7 | 168.7 | 0 | 0 | 114.6 | A186 | E147-A186 PolarHBondContact N-O 3.26Š|
| 148 | T | 93 | Very high | 96.4 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.098 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -119.8 | 129.4 | -177 | -54.7 | 0 | 0 | 0 | 0 | 108.9 | P145 I146 I150 | P145-T148 HydrophobicContact CG-CG2 4.17Å; I146-T148 PolarHBondContact O-N 3.25Å; I146-T148 PolarHBondContact O-OG1 3.49Å; T148-I150 PolarHBondContact O-N 2.79Å |
| 149 | P | 94.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 37 Ų | 37 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | trans | -66.7 | 115.9 | 173.1 | -20.1 | 32.8 | 0 | 0 | 0 | 110.8 | N91 P93 S94 T185 | N91-P149 HydrophobicContact CB-CB 4.46Å; P93-P149 WeakPolarHBondContact CA-O 3.27Å; S94-P149 PolarHBondContact N-O 3.4Å; P149-T185 WeakPolarHBondContact CA-OG1 3.28Å | ||
| 150 | I | 94.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.4 | -178.6 | -64.2 | 158.3 | 0 | 0 | 0 | 109.1 | L95 L144 P145 T148 M152 T183 F184 | L95-I150 HydrophobicContact CB-CG1 4.41Å; L144-I150 HydrophobicContact CB-CD1 3.86Å; L144-I150 HydrophobicContact CD1-CD1 4.2Å; L144-I150 HydrophobicContact CD2-CD1 4.45Å; L144-I150 HydrophobicContact CG-CD1 4.42Å; P145-I150 HydrophobicContact CG-CD1 4.47Å; T148-I150 PolarHBondContact O-N 2.79Å; I150-M152 HydrophobicContact CG2-CG 4.47Å; I150-M152 HydrophobicContact CG2-SD 4.19Å; I150-T183 VanDerWaalsContact O-CA 3.27Å; I150-T183 WeakPolarHBondContact O-CA 3.4Å; I150-F184 HydrophobicContact CB-CE1 4.28Å; I150-F184 HydrophobicContact CB-CZ 4.26Å; I150-F184 HydrophobicContact CD1-CE2 4.04Å; I150-F184 HydrophobicContact CD1-CZ 4.14Å; I150-F184 HydrophobicContact CG2-CE1 4.09Å; I150-F184 HydrophobicContact CG2-CZ 4.22Å; I150-F184 PolarHBondContact N-O 2.92Å; I150-F184 PolarHBondContact O-N 2.78Å |
| 151 | R | 95.7 | Very high | 96.7 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 23% | 0.226 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.9 | 170.5 | -178.8 | -172.4 | -73.9 | 145.9 | -3.6 | 109.7 | P93 L95 T96 I97 M153 Q181 T183 | P93-R151 HydrophobicContact CB-CB 3.75Å; P93-R151 VanDerWaalsContact CD-NH2 3.25Å; P93-R151 HydrophobicContact CG-CB 3.7Å; P93-R151 HydrophobicContact CG-CG 4.47Å; L95-R151 PolarHBondContact O-N 2.91Å; T96-R151 WeakPolarHBondContact CA-O 3.46Å; T96-R151 HydrophobicContact CG2-CB 4.38Å; T96-R151 HydrophobicContact CG2-CG 4.29Å; I97-R151 PolarHBondContact N-O 2.97Å; R151-M153 VanDerWaalsContact CD-SD 3.6Å; R151-M153 HydrophobicContact CG-SD 3.79Å; R151-Q181 VanDerWaalsContact CD-CD 3.46Å; R151-Q181 HydrophobicContact CG-CG 3.61Å; R151-Q181 VanDerWaalsContact NE-NE2 3.15Å; R151-T183 HydrophobicContact CB-CG2 4.45Å; R151-T183 HydrophobicContact CG-CG2 4.49Å |
| 152 | M | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125 | 169.7 | -65.3 | -61.8 | -64.7 | 0 | 0 | 109.9 | I97 Y108 I150 I154 W163 Q181 T182 F184 | I97-M152 HydrophobicContact CB-CE 4.37Å; I97-M152 HydrophobicContact CB-SD 3.85Å; I97-M152 HydrophobicContact CG2-CE 4.01Å; I97-M152 HydrophobicContact CG2-SD 4.12Å; I97-M152 CarbonylContact O-C 3.52Å; I97-M152 WeakPolarHBondContact O-CA 3.2Å; Y108-M152 HydrophobicContact CD1-CE 4.45Å; Y108-M152 HydrophobicContact CE1-CE 4.3Å; I150-M152 HydrophobicContact CG2-CG 4.47Å; I150-M152 HydrophobicContact CG2-SD 4.19Å; M152-I154 HydrophobicContact CB-CD1 4.13Å; M152-I154 HydrophobicContact CB-CG1 4.22Å; M152-W163 HydrophobicContact CE-CH2 4.2Å; M152-W163 HydrophobicContact CE-CZ2 3.9Å; M152-W163 HydrophobicContact CG-CH2 4.32Å; M152-W163 HydrophobicContact CG-CZ3 4.45Å; M152-Q181 WeakPolarHBondContact O-CA 3.42Å; M152-T182 HydrophobicContact CB-CG2 3.85Å; M152-T182 PolarHBondContact N-O 3.02Å; M152-T182 PolarHBondContact O-N 3.33Å; M152-F184 HydrophobicContact CG-CD1 4.24Å; M152-F184 HydrophobicContact CG-CE1 3.57Å; M152-F184 HydrophobicContact SD-CE1 4.33Å |
| 153 | M | 97.4 | Very high | 96.9 | Very high | 30 Ų | 30 | 32.2 Ų | 32.2 | 15% | 0.148 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.5 | 171.2 | -55.4 | -57.5 | -70.9 | 0 | 0 | 108.7 | T96 I97 K98 S99 R151 L179 N180 Q181 | T96-M153 HydrophobicContact CG2-CG 3.72Å; I97-M153 PolarHBondContact O-N 2.79Å; K98-M153 CarbonylContact C-O 3.53Å; K98-M153 VanDerWaalsContact CA-O 3.26Å; K98-M153 WeakPolarHBondContact CA-O 3.33Å; K98-M153 HydrophobicContact CG-CB 4.18Å; K98-M153 WeakPolarHBondContact CG-O 3.16Å; S99-M153 PolarHBondContact N-O 2.79Å; R151-M153 VanDerWaalsContact CD-SD 3.6Å; R151-M153 HydrophobicContact CG-SD 3.79Å; M153-L179 HydrophobicContact CB-CD1 3.88Å; M153-L179 HydrophobicContact CB-CD2 4.31Å; M153-L179 HydrophobicContact CB-CG 4.1Å; M153-L179 HydrophobicContact CE-CD2 3.46Å; M153-L179 VanDerWaalsContact CE-CD2 3.46Å; M153-L179 HydrophobicContact CE-CG 3.66Å; M153-N180 CarbonylContact C-O 3.53Å; M153-N180 VanDerWaalsContact CA-O 3.31Å; M153-N180 WeakPolarHBondContact CA-O 3.36Å; M153-Q181 HydrophobicContact CE-CB 4.15Å; M153-Q181 HydrophobicContact SD-CB 3.8Å; M153-Q181 HydrophobicContact SD-CG 3.69Å |
| 154 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.6 | -167 | -62.7 | 160.4 | 0 | 0 | 0 | 109.2 | S99 M152 W163 T172 A174 N180 T182 | S99-I154 WeakPolarHBondContact O-CA 3.07Å; M152-I154 HydrophobicContact CB-CD1 4.13Å; M152-I154 HydrophobicContact CB-CG1 4.22Å; I154-W163 HydrophobicContact CD1-CB 4.09Å; I154-W163 HydrophobicContact CD1-CD2 4.23Å; I154-W163 HydrophobicContact CD1-CE3 3.87Å; I154-W163 HydrophobicContact CD1-CG 4.36Å; I154-W163 HydrophobicContact CG1-CB 4.34Å; I154-W163 HydrophobicContact CG2-CB 3.86Å; I154-T172 HydrophobicContact CB-CG2 4.27Å; I154-T172 HydrophobicContact CD1-CG2 3.89Å; I154-A174 HydrophobicContact CG2-CB 3.71Å; I154-N180 PolarHBondContact N-O 3.28Å; I154-N180 PolarHBondContact O-N 2.91Å; I154-T182 HydrophobicContact CD1-CG2 3.71Å |
| 155 | T | 98.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 13% | 0.129 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 179.1 | 178.9 | -164.6 | 0 | 0 | 0 | 0 | 110.8 | K98 S99 I100 G101 A174 I175 R178 L179 | K98-T155 HydrophobicContact CD-CG2 4.48Å; S99-T155 PolarHBondContact O-N 3.41Å; I100-T155 CarbonylContact C-O 3.48Å; I100-T155 WeakPolarHBondContact CA-O 3.25Å; I100-T155 HydrophobicContact CG1-CG2 4.03Å; I100-T155 HydrophobicContact CG2-CG2 4.41Å; G101-T155 PolarHBondContact N-O 2.86Å; T155-A174 WeakPolarHBondContact O-CB 3.35Å; T155-I175 PolarHBondContact OG1-O 2.89Å; T155-R178 VanDerWaalsContact CB-O 3.27Å; T155-R178 WeakPolarHBondContact CB-O 3.34Å; T155-R178 PolarHBondContact OG1-O 2.93Å; T155-L179 HydrophobicContact CG2-CD1 3.96Å |
| 156 | S | 98.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.5 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | G101 D158 V159 H161 A174 P176 | G101-S156 PolarHBondContact O-OG 2.93Å; S156-D158 PolarHBondContact OG-N 2.66Å; S156-D158 VanDerWaalsContact OG-N 3.14Å; S156-D158 PolarHBondContact OG-OD1 2.91Å; S156-V159 VanDerWaalsContact CB-O 3.23Å; S156-V159 WeakPolarHBondContact CB-O 3.35Å; S156-V159 PolarHBondContact OG-O 3.3Å; S156-H161 PolarHBondContact OG-CD2 3.41Å; S156-A174 WeakPolarHBondContact CB-O 3.44Å; S156-P176 WeakPolarHBondContact O-CA 3.23Å |
| 157 | Q | 98.4 | Very high | 97.4 | Very high | 132 Ų | 132 | 33.7 Ų | 33.7 | 62% | 0.617 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -100.8 | -6.6 | 172.3 | -80.4 | -175.5 | 19.6 | 0 | 0 | 114.2 | I100 G101 H102 | I100-Q157 HydrophobicContact CG2-CB 4.21Å; I100-Q157 HydrophobicContact CG2-CG 3.6Å; G101-Q157 PolarHBondContact O-N 2.87Å; G101-Q157 VanDerWaalsContact O-N 3.1Å; H102-Q157 VanDerWaalsContact CE1-CD 3.41Å; H102-Q157 PolarHBondContact CE1-OE1 2.94Å |
| 158 | D | 97.9 | Very high | 97.6 | Very high | 56 Ų | 56 | 26.7 Ų | 26.7 | 30% | 0.299 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -133.4 | -86.7 | -178.7 | 47.8 | 35.1 | 0 | 0 | 0 | 114 | H102 Q103 S156 H161 P176 | H102-D158 VanDerWaalsContact CA-OD2 3.26Å; H102-D158 WeakPolarHBondContact CA-OD2 3.44Å; Q103-D158 PolarHBondContact N-OD2 2.95Å; S156-D158 PolarHBondContact OG-N 2.66Å; S156-D158 VanDerWaalsContact OG-N 3.14Å; S156-D158 PolarHBondContact OG-OD1 2.91Å; D158-H161 IonicContact OD1-CD2 2.77Å; D158-H161 IonicContact OD1-CE1 2.71Å; D158-H161 IonicContact OD1-NE2 3.99Å; D158-H161 PolarHBondContact OD1-NE2 3.01Å; D158-P176 WeakPolarHBondContact O-CG 3.44Å |
| 159 | V | 98.5 | Very high | 97.8 | Very high | 53 Ų | 53 | 27.2 Ų | 27.2 | 32% | 0.321 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -110 | -179.6 | -177 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | Q103 S156 H161 C200 | Q103-V159 HydrophobicContact CG-CG2 3.88Å; S156-V159 VanDerWaalsContact CB-O 3.23Å; S156-V159 WeakPolarHBondContact CB-O 3.35Å; S156-V159 PolarHBondContact OG-O 3.3Å; V159-H161 PolarHBondContact O-CD2 3.28Å; V159-H161 PolarHBondContact O-N 2.93Å; V159-C200 HydrophobicContact CG2-CB 3.82Å |
| 160 | L | 98.7 | Very high | 98 | Very high | 81 Ų | 81 | 26 Ų | 26 | 42% | 0.424 | 14% | 0.143 | S | C | . | . | trans | -66.2 | 135.4 | 171.8 | -61.4 | 176.8 | 0 | 0 | 0 | 110.4 | I175 E198 C200 | L160-I175 HydrophobicContact CD2-CB 4.13Å; L160-I175 HydrophobicContact CD2-CG1 3.86Å; L160-I175 HydrophobicContact CD2-CG2 3.95Å; L160-E198 HydrophobicContact CB-CG 3.78Å; L160-C200 VanDerWaalsContact O-CB 3.32Å; L160-C200 WeakPolarHBondContact O-CB 3.41Å | ||
| 161 | H | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 176.3 | 165.7 | -58.4 | -94.4 | 0 | 0 | 0 | 108.3 | H102 W106 S156 D158 V159 A174 C200 M207 | H102-H161 VanDerWaalsContact C-CE1 3.46Å; H102-H161 PolarHBondContact O-CE1 3.15Å; W106-H161 HydrophobicContact CH2-CB 3.75Å; W106-H161 HydrophobicContact CZ2-CB 4.14Å; S156-H161 PolarHBondContact OG-CD2 3.41Å; D158-H161 IonicContact OD1-CD2 2.77Å; D158-H161 IonicContact OD1-CE1 2.71Å; D158-H161 IonicContact OD1-NE2 3.99Å; D158-H161 PolarHBondContact OD1-NE2 3.01Å; V159-H161 PolarHBondContact O-CD2 3.28Å; V159-H161 PolarHBondContact O-N 2.93Å; H161-A174 HydrophobicContact CB-CB 3.95Å; H161-A174 PolarHBondContact N-O 2.71Å; H161-A174 PolarHBondContact O-N 3.33Å; H161-C200 WeakPolarHBondContact CE1-CB 3.49Å; H161-C200 WeakPolarHBondContact ND1-CB 3.44Å; H161-C200 PolarHBondContact ND1-SG 3.2Å; H161-C200 VanDerWaalsContact ND1-SG 3.41Å; H161-M207 VanDerWaalsContact ND1-CE 3.25Å; H161-M207 WeakPolarHBondContact ND1-CE 3.44Å; H161-M207 PolarHBondContact ND1-SD 3.41Å |
| 162 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 120.9 | 171.6 | -171.4 | 0 | 0 | 0 | 0 | 110 | K171 D173 C196 S197 | S162-K171 WeakPolarHBondContact OG-CE 3.2Å; S162-D173 WeakPolarHBondContact CB-OD1 3.47Å; S162-D173 PolarHBondContact OG-OD1 3.31Å; S162-C196 WeakPolarHBondContact O-CA 3.14Å; S162-S197 PolarHBondContact O-N 3.23Å |
| 163 | W | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 114.3 | -178.1 | -169.5 | 89.4 | 0 | 0 | 0 | 108.4 | S99 W106 Y108 M152 I154 V165 L170 K171 T172 I209 L211 | S99-W163 PolarHBondContact OG-NE1 3.46Å; W106-W163 AromaticContact CE3-CD1 3.8Å; W106-W163 HydrophobicContact CH2-CB 3.69Å; W106-W163 HydrophobicContact CH2-CG 4.31Å; W106-W163 HydrophobicContact CZ2-CB 4.31Å; W106-W163 HydrophobicContact CZ3-CB 3.95Å; W106-W163 AromaticContact CZ3-CD1 3.81Å; W106-W163 HydrophobicContact CZ3-CG 4.3Å; Y108-W163 AromaticContact CE1-NE1 3.61Å; Y108-W163 AromaticContact CZ-NE1 3.71Å; Y108-W163 PolarHBondContact OH-NE1 3.37Å; M152-W163 HydrophobicContact CE-CH2 4.2Å; M152-W163 HydrophobicContact CE-CZ2 3.9Å; M152-W163 HydrophobicContact CG-CH2 4.32Å; M152-W163 HydrophobicContact CG-CZ3 4.45Å; I154-W163 HydrophobicContact CD1-CB 4.09Å; I154-W163 HydrophobicContact CD1-CD2 4.23Å; I154-W163 HydrophobicContact CD1-CE3 3.87Å; I154-W163 HydrophobicContact CD1-CG 4.36Å; I154-W163 HydrophobicContact CG1-CB 4.34Å; I154-W163 HydrophobicContact CG2-CB 3.86Å; W163-V165 HydrophobicContact CE3-CG2 4.46Å; W163-V165 HydrophobicContact CH2-CG2 3.64Å; W163-V165 HydrophobicContact CZ2-CG2 3.91Å; W163-V165 HydrophobicContact CZ3-CG2 3.93Å; W163-L170 HydrophobicContact CH2-CD1 4.43Å; W163-L170 HydrophobicContact CZ3-CB 4.21Å; W163-L170 HydrophobicContact CZ3-CD1 3.91Å; W163-K171 WeakPolarHBondContact O-CA 3.36Å; W163-T172 PolarHBondContact N-O 3.06Å; W163-T172 PolarHBondContact O-N 3.39Å; W163-I209 HydrophobicContact CB-CD1 4.31Å; W163-I209 HydrophobicContact CD2-CD1 4.22Å; W163-I209 HydrophobicContact CG-CD1 3.74Å; W163-I209 HydrophobicContact CZ2-CG2 3.82Å; W163-L211 HydrophobicContact CH2-CD1 4.11Å; W163-L211 HydrophobicContact CH2-CD2 4.28Å; W163-L211 HydrophobicContact CZ2-CD1 4.48Å; W163-L211 HydrophobicContact CZ2-CD2 3.88Å |
| 164 | A | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 131.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L170 K171 G194 Q195 S197 | A164-L170 CarbonylContact C-O 3.59Å; A164-L170 VanDerWaalsContact CA-O 3.24Å; A164-L170 WeakPolarHBondContact CA-O 3.45Å; A164-K171 HydrophobicContact CB-CB 4.1Å; A164-K171 HydrophobicContact CB-CG 4.08Å; A164-G194 WeakPolarHBondContact O-CA 3.18Å; A164-Q195 PolarHBondContact O-N 3.09Å; A164-S197 VanDerWaalsContact CB-OG 3.25Å; A164-S197 WeakPolarHBondContact CB-OG 3.47Å |
| 165 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 94.4 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 108 | W163 T167 L168 G169 L170 I209 L211 | W163-V165 HydrophobicContact CE3-CG2 4.46Å; W163-V165 HydrophobicContact CH2-CG2 3.64Å; W163-V165 HydrophobicContact CZ2-CG2 3.91Å; W163-V165 HydrophobicContact CZ3-CG2 3.93Å; V165-T167 PolarHBondContact O-N 3.36Å; V165-L168 HydrophobicContact CB-CD1 4.34Å; V165-L168 HydrophobicContact CG1-CB 4.38Å; V165-L168 HydrophobicContact CG1-CD1 3.93Å; V165-L168 HydrophobicContact CG1-CG 4.19Å; V165-L168 PolarHBondContact O-N 2.84Å; V165-L168 VanDerWaalsContact O-N 3.11Å; V165-G169 PolarHBondContact O-N 2.78Å; V165-L170 PolarHBondContact N-O 2.72Å; V165-L170 PolarHBondContact O-N 2.92Å; V165-I209 HydrophobicContact CG2-CG2 3.79Å; V165-L211 HydrophobicContact CB-CD1 4.48Å; V165-L211 HydrophobicContact CG1-CD1 4.14Å; V165-L211 HydrophobicContact CG2-CD1 4.03Å; V165-L211 HydrophobicContact CG2-CG 4.28Å |
| 166 | P | 98.5 | Very high | 98.5 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 38% | 0.377 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -60.2 | -36.5 | -168.6 | -28.1 | 35.6 | 0 | 0 | 0 | 115.2 | L168 G169 | P166-L168 PolarHBondContact O-N 2.89Å; P166-G169 PolarHBondContact O-N 2.87Å |
| 167 | T | 98.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -64.4 | -25.8 | 179.9 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | Q10 T13 M17 V165 Y192 | Q10-T167 HydrophobicContact CB-CG2 3.82Å; T13-T167 HydrophobicContact CG2-CG2 4.47Å; T13-T167 PolarHBondContact N-O 3.21Å; T13-T167 VanDerWaalsContact OG1-C 3.26Å; T13-T167 WeakPolarHBondContact OG1-CB 3.44Å; T13-T167 PolarHBondContact OG1-O 3.45Å; T13-T167 VanDerWaalsContact OG1-O 3.09Å; T13-T167 PolarHBondContact OG1-OG1 3.35Å; M17-T167 WeakPolarHBondContact CB-O 3.27Å; M17-T167 WeakPolarHBondContact CG-O 3.47Å; V165-T167 PolarHBondContact O-N 3.36Å; T167-Y192 HydrophobicContact CG2-CD1 4.4Å |
| 168 | L | 98.1 | Very high | 98.4 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -90.5 | -3.7 | 176.2 | -68.9 | 171.4 | 0 | 0 | 0 | 113 | T13 S14 V165 P166 L170 F184 A186 L211 | T13-L168 VanDerWaalsContact OG1-CD2 3.23Å; T13-L168 WeakPolarHBondContact OG1-CD2 3.38Å; S14-L168 PolarHBondContact OG-O 3.18Å; V165-L168 HydrophobicContact CB-CD1 4.34Å; V165-L168 HydrophobicContact CG1-CB 4.38Å; V165-L168 HydrophobicContact CG1-CD1 3.93Å; V165-L168 HydrophobicContact CG1-CG 4.19Å; V165-L168 PolarHBondContact O-N 2.84Å; V165-L168 VanDerWaalsContact O-N 3.11Å; P166-L168 PolarHBondContact O-N 2.89Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 HydrophobicContact CB-CB 4.46Å; L168-L170 HydrophobicContact CB-CD1 3.64Å; L168-L170 HydrophobicContact CB-CG 3.73Å; L168-L170 HydrophobicContact CD1-CD1 3.87Å; L168-L170 HydrophobicContact CG-CD1 4.4Å; L168-F184 HydrophobicContact CD1-CD2 3.88Å; L168-F184 HydrophobicContact CD1-CE2 3.68Å; L168-F184 HydrophobicContact CD1-CG 4.48Å; L168-F184 HydrophobicContact CD1-CZ 4.11Å; L168-F184 HydrophobicContact CD2-CD2 4.06Å; L168-F184 HydrophobicContact CD2-CE2 4.42Å; L168-A186 HydrophobicContact CD2-CB 3.92Å; L168-L211 HydrophobicContact CD1-CD1 3.43Å; L168-L211 VanDerWaalsContact CD1-CD1 3.43Å |
| 169 | G | 97.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 24.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M17 V165 P166 | M17-G169 VanDerWaalsContact SD-CA 3.57Å; V165-G169 PolarHBondContact O-N 2.78Å; P166-G169 PolarHBondContact O-N 2.87Å |
| 170 | L | 97.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.2 | -173.7 | -60.4 | 173.9 | 0 | 0 | 0 | 111.5 | W163 A164 V165 L168 T182 F184 | W163-L170 HydrophobicContact CH2-CD1 4.43Å; W163-L170 HydrophobicContact CZ3-CB 4.21Å; W163-L170 HydrophobicContact CZ3-CD1 3.91Å; A164-L170 CarbonylContact C-O 3.59Å; A164-L170 VanDerWaalsContact CA-O 3.24Å; A164-L170 WeakPolarHBondContact CA-O 3.45Å; V165-L170 PolarHBondContact N-O 2.72Å; V165-L170 PolarHBondContact O-N 2.92Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 HydrophobicContact CB-CB 4.46Å; L168-L170 HydrophobicContact CB-CD1 3.64Å; L168-L170 HydrophobicContact CB-CG 3.73Å; L168-L170 HydrophobicContact CD1-CD1 3.87Å; L168-L170 HydrophobicContact CG-CD1 4.4Å; L170-T182 HydrophobicContact CD2-CG2 4.32Å; L170-T182 WeakPolarHBondContact CD2-OG1 3.35Å; L170-F184 HydrophobicContact CD1-CB 3.86Å; L170-F184 HydrophobicContact CD1-CD1 3.29Å; L170-F184 HydrophobicContact CD1-CD2 4.32Å; L170-F184 HydrophobicContact CD1-CE1 3.78Å; L170-F184 HydrophobicContact CD1-CG 3.59Å; L170-F184 HydrophobicContact CD1-CZ 4.47Å; L170-F184 HydrophobicContact CD2-CB 4.09Å; L170-F184 HydrophobicContact CG-CB 4.39Å; L170-F184 HydrophobicContact CG-CD1 4.5Å |
| 171 | K | 98.6 | Very high | 98.2 | Very high | 122 Ų | 122 | 40.3 Ų | 40.3 | 53% | 0.53 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 123.9 | 164.3 | 178.3 | 173.5 | 175.3 | 172.5 | 0 | 108.2 | S162 W163 A164 S197 | S162-K171 WeakPolarHBondContact OG-CE 3.2Å; W163-K171 WeakPolarHBondContact O-CA 3.36Å; A164-K171 HydrophobicContact CB-CB 4.1Å; A164-K171 HydrophobicContact CB-CG 4.08Å; K171-S197 PolarHBondContact NZ-O 2.72Å |
| 172 | T | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 130.2 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 109.8 | I154 W163 N180 | I154-T172 HydrophobicContact CB-CG2 4.27Å; I154-T172 HydrophobicContact CD1-CG2 3.89Å; W163-T172 PolarHBondContact N-O 3.06Å; W163-T172 PolarHBondContact O-N 3.39Å; T172-N180 HydrophobicContact CG2-CB 3.53Å |
| 173 | D | 98.8 | Very high | 97.9 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 35% | 0.348 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136 | -177.1 | -61 | -17.5 | 0 | 0 | 0 | 111.1 | S162 I175 N180 | S162-D173 WeakPolarHBondContact CB-OD1 3.47Å; S162-D173 PolarHBondContact OG-OD1 3.31Å; D173-I175 HydrophobicContact CB-CD1 4.21Å; D173-I175 HydrophobicContact CB-CG1 4.03Å; D173-N180 PolarHBondContact O-ND2 2.76Å |
| 174 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 102.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | W106 I154 T155 S156 H161 | W106-A174 HydrophobicContact CH2-CB 4.13Å; W106-A174 HydrophobicContact CZ3-CB 4.09Å; I154-A174 HydrophobicContact CG2-CB 3.71Å; T155-A174 WeakPolarHBondContact O-CB 3.35Å; S156-A174 WeakPolarHBondContact CB-O 3.44Å; H161-A174 HydrophobicContact CB-CB 3.95Å; H161-A174 PolarHBondContact N-O 2.71Å; H161-A174 PolarHBondContact O-N 3.33Å |
| 175 | I | 98.7 | Very high | 97.5 | Very high | 49 Ų | 49 | 44.4 Ų | 44.4 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | trans | -110.5 | 126.1 | -172.7 | -58.4 | 170 | 0 | 0 | 0 | 108.8 | T155 L160 D173 G177 R178 | T155-I175 PolarHBondContact OG1-O 2.89Å; L160-I175 HydrophobicContact CD2-CB 4.13Å; L160-I175 HydrophobicContact CD2-CG1 3.86Å; L160-I175 HydrophobicContact CD2-CG2 3.95Å; D173-I175 HydrophobicContact CB-CD1 4.21Å; D173-I175 HydrophobicContact CB-CG1 4.03Å; I175-G177 PolarHBondContact O-N 3.05Å; I175-R178 HydrophobicContact CB-CB 4.1Å; I175-R178 HydrophobicContact CG2-CB 4.17Å; I175-R178 PolarHBondContact O-N 3.43Å | ||
| 176 | P | 98.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 34% | 0.344 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -56.1 | 129.9 | 176.1 | -23.3 | 32.2 | 0 | 0 | 0 | 111.7 | S156 D158 R178 | S156-P176 WeakPolarHBondContact O-CA 3.23Å; D158-P176 WeakPolarHBondContact O-CG 3.44Å; P176-R178 VanDerWaalsContact C-N 3.27Å; P176-R178 PolarHBondContact O-N 3.17Å |
| 177 | G | 97.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 44 Ų | 44 | 93% | 0.928 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 4.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | I175 | I175-G177 PolarHBondContact O-N 3.05Š|
| 178 | R | 98 | Very high | 97.2 | Very high | 149 Ų | 149 | 48.4 Ų | 48.4 | 56% | 0.562 | 27% | 0.267 | S | S | * | . | trans | -127 | 135.8 | 173.2 | 176.4 | 172.4 | 174.1 | 164.6 | 0.2 | 110.5 | T155 I175 P176 N180 | T155-R178 VanDerWaalsContact CB-O 3.27Å; T155-R178 WeakPolarHBondContact CB-O 3.34Å; T155-R178 PolarHBondContact OG1-O 2.93Å; I175-R178 HydrophobicContact CB-CB 4.1Å; I175-R178 HydrophobicContact CG2-CB 4.17Å; I175-R178 PolarHBondContact O-N 3.43Å; P176-R178 VanDerWaalsContact C-N 3.27Å; P176-R178 PolarHBondContact O-N 3.17Å; R178-N180 PolarHBondContact NE-OD1 3.16Å; R178-N180 PolarHBondContact NH2-OD1 2.84Å | ||
| 179 | L | 97.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 52.1 Ų | 52.1 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | trans | -105.9 | 98.9 | 175.7 | -165.7 | 67.4 | 0 | 0 | 0 | 108.5 | K98 M153 T155 | K98-L179 HydrophobicContact CD-CD1 4.37Å; K98-L179 HydrophobicContact CG-CD1 4.34Å; M153-L179 HydrophobicContact CB-CD1 3.88Å; M153-L179 HydrophobicContact CB-CD2 4.31Å; M153-L179 HydrophobicContact CB-CG 4.1Å; M153-L179 HydrophobicContact CE-CD2 3.46Å; M153-L179 VanDerWaalsContact CE-CD2 3.46Å; M153-L179 HydrophobicContact CE-CG 3.66Å; T155-L179 HydrophobicContact CG2-CD1 3.96Å | ||
| 180 | N | 97.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 154.9 | 174.5 | -77 | -32.7 | 0 | 0 | 0 | 110.3 | M153 I154 T172 D173 R178 | M153-N180 CarbonylContact C-O 3.53Å; M153-N180 VanDerWaalsContact CA-O 3.31Å; M153-N180 WeakPolarHBondContact CA-O 3.36Å; I154-N180 PolarHBondContact N-O 3.28Å; I154-N180 PolarHBondContact O-N 2.91Å; T172-N180 HydrophobicContact CG2-CB 3.53Å; D173-N180 PolarHBondContact O-ND2 2.76Å; R178-N180 PolarHBondContact NE-OD1 3.16Å; R178-N180 PolarHBondContact NH2-OD1 2.84Å |
| 181 | Q | 95.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.5 | 177.5 | -178.1 | 178.7 | -47.2 | 0 | 0 | 109.5 | R151 M152 M153 | R151-Q181 VanDerWaalsContact CD-CD 3.46Å; R151-Q181 HydrophobicContact CG-CG 3.61Å; R151-Q181 VanDerWaalsContact NE-NE2 3.15Å; M152-Q181 WeakPolarHBondContact O-CA 3.42Å; M153-Q181 HydrophobicContact CE-CB 4.15Å; M153-Q181 HydrophobicContact SD-CB 3.8Å; M153-Q181 HydrophobicContact SD-CG 3.69Å |
| 182 | T | 95.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 49 Ų | 49 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.5 | 162.9 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | M152 I154 L170 | M152-T182 HydrophobicContact CB-CG2 3.85Å; M152-T182 PolarHBondContact N-O 3.02Å; M152-T182 PolarHBondContact O-N 3.33Å; I154-T182 HydrophobicContact CD1-CG2 3.71Å; L170-T182 HydrophobicContact CD2-CG2 4.32Å; L170-T182 WeakPolarHBondContact CD2-OG1 3.35Å |
| 183 | T | 95.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.7 | 177.5 | 70.3 | 0 | 0 | 0 | 0 | 110.2 | I150 R151 | I150-T183 VanDerWaalsContact O-CA 3.27Å; I150-T183 WeakPolarHBondContact O-CA 3.4Å; R151-T183 HydrophobicContact CB-CG2 4.45Å; R151-T183 HydrophobicContact CG-CG2 4.49Å |
| 184 | F | 95.1 | Very high | 97.1 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 163.1 | 173.5 | 68.1 | -87.5 | 0 | 0 | 0 | 111.3 | L144 I150 M152 L168 L170 L211 | L144-F184 HydrophobicContact CD1-CE2 4.42Å; L144-F184 HydrophobicContact CD1-CZ 3.74Å; I150-F184 HydrophobicContact CB-CE1 4.28Å; I150-F184 HydrophobicContact CB-CZ 4.26Å; I150-F184 HydrophobicContact CD1-CE2 4.04Å; I150-F184 HydrophobicContact CD1-CZ 4.14Å; I150-F184 HydrophobicContact CG2-CE1 4.09Å; I150-F184 HydrophobicContact CG2-CZ 4.22Å; I150-F184 PolarHBondContact N-O 2.92Å; I150-F184 PolarHBondContact O-N 2.78Å; M152-F184 HydrophobicContact CG-CD1 4.24Å; M152-F184 HydrophobicContact CG-CE1 3.57Å; M152-F184 HydrophobicContact SD-CE1 4.33Å; L168-F184 HydrophobicContact CD1-CD2 3.88Å; L168-F184 HydrophobicContact CD1-CE2 3.68Å; L168-F184 HydrophobicContact CD1-CG 4.48Å; L168-F184 HydrophobicContact CD1-CZ 4.11Å; L168-F184 HydrophobicContact CD2-CD2 4.06Å; L168-F184 HydrophobicContact CD2-CE2 4.42Å; L170-F184 HydrophobicContact CD1-CB 3.86Å; L170-F184 HydrophobicContact CD1-CD1 3.29Å; L170-F184 HydrophobicContact CD1-CD2 4.32Å; L170-F184 HydrophobicContact CD1-CE1 3.78Å; L170-F184 HydrophobicContact CD1-CG 3.59Å; L170-F184 HydrophobicContact CD1-CZ 4.47Å; L170-F184 HydrophobicContact CD2-CB 4.09Å; L170-F184 HydrophobicContact CG-CB 4.39Å; L170-F184 HydrophobicContact CG-CD1 4.5Å; F184-L211 HydrophobicContact CZ-CD1 4.29Å |
| 185 | T | 95.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | trans | -132.4 | 125.5 | 166.7 | -57.2 | 0 | 0 | 0 | 0 | 107 | S14 P15 P149 | S14-T185 WeakPolarHBondContact CA-O 3.5Å; S14-T185 VanDerWaalsContact CB-O 3.3Å; S14-T185 WeakPolarHBondContact CB-O 3.33Å; P15-T185 WeakPolarHBondContact CD-O 3.31Å; P149-T185 WeakPolarHBondContact CA-OG1 3.28Å | ||
| 186 | A | 96.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -93.3 | 138.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T13 E147 L168 L213 | T13-A186 WeakPolarHBondContact O-CA 3.47Å; E147-A186 PolarHBondContact N-O 3.26Å; L168-A186 HydrophobicContact CD2-CB 3.92Å; A186-L213 HydrophobicContact CB-CD1 3.03Å; A186-L213 HydrophobicContact CB-CG 4.43Å | ||
| 187 | T | 95.9 | Very high | 97.1 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 31% | 0.307 | 27% | 0.273 | S | S | . | . | trans | -97.6 | -10.3 | -172.6 | 54 | 0 | 0 | 0 | 0 | 113.5 | T13 P15 | T13-T187 PolarHBondContact O-N 3.32Å; T13-T187 VanDerWaalsContact O-N 3.09Å; T13-T187 PolarHBondContact O-OG1 2.94Å; P15-T187 HydrophobicContact CG-CG2 3.96Å | ||
| 188 | R | 96 | Very high | 97.2 | Very high | 96 Ų | 96 | 46.9 Ų | 46.9 | 36% | 0.362 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -140.1 | 144.7 | -173.4 | -58.7 | -171.4 | -56.2 | -80.8 | 6.1 | 111.2 | A12 I146 Y192 | A12-R188 VanDerWaalsContact O-CZ 3.26Å; A12-R188 PolarHBondContact O-NH1 2.7Å; A12-R188 PolarHBondContact O-NH2 3.05Å; I146-R188 WeakPolarHBondContact CG2-O 3.47Å; R188-Y192 PolarHBondContact O-OH 2.94Å; R188-Y192 VanDerWaalsContact O-OH 3.1Å |
| 189 | P | 97.5 | Very high | 97.2 | Very high | 78 Ų | 78 | 46 Ų | 46 | 51% | 0.506 | 25% | 0.249 | S | C | . | . | trans | -72.9 | 154.8 | 173.2 | 31.2 | -34.5 | 0 | 0 | 0 | 110.8 | I146 Y192 L213 | I146-P189 HydrophobicContact CD1-CB 4.44Å; I146-P189 HydrophobicContact CG2-CB 4.27Å; P189-Y192 PolarHBondContact O-OH 3.11Å; P189-L213 CarbonylContact C-O 3.53Å; P189-L213 WeakPolarHBondContact CA-O 3.24Å; P189-L213 WeakPolarHBondContact CB-O 3.32Å | ||
| 190 | G | 97.1 | Very high | 97.2 | Very high | 29 Ų | 29 | 42 Ų | 42 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.5 | -175.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L213 | G190-L213 PolarHBondContact N-O 2.77Å; G190-L213 PolarHBondContact O-N 2.99Å |
| 191 | V | 98 | Very high | 97.3 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.8 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | Y193 V210 L211 E212 | V191-Y193 HydrophobicContact CB-CE2 4.2Å; V191-Y193 HydrophobicContact CG1-CD2 4.37Å; V191-Y193 HydrophobicContact CG1-CE1 4.35Å; V191-Y193 HydrophobicContact CG1-CE2 3.63Å; V191-V210 HydrophobicContact CG1-CG1 3.35Å; V191-L211 CarbonylContact C-O 3.53Å; V191-L211 VanDerWaalsContact CA-O 3.3Å; V191-L211 WeakPolarHBondContact CA-O 3.13Å; V191-E212 HydrophobicContact CG2-CG 4.35Å |
| 192 | Y | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 135.9 | -176.9 | -55.8 | -68.6 | 0 | 0 | 0 | 110.7 | T13 T167 R188 P189 V210 L211 L213 | T13-Y192 HydrophobicContact CG2-CD1 3.68Å; T13-Y192 HydrophobicContact CG2-CE1 3.09Å; T167-Y192 HydrophobicContact CG2-CD1 4.4Å; R188-Y192 PolarHBondContact O-OH 2.94Å; R188-Y192 VanDerWaalsContact O-OH 3.1Å; P189-Y192 PolarHBondContact O-OH 3.11Å; Y192-V210 WeakPolarHBondContact O-CA 3.12Å; Y192-L211 PolarHBondContact N-O 3.43Å; Y192-L211 PolarHBondContact O-N 2.69Å; Y192-L213 HydrophobicContact CD2-CD1 3.52Å; Y192-L213 HydrophobicContact CD2-CG 3.65Å; Y192-L213 HydrophobicContact CE2-CB 4.1Å; Y192-L213 HydrophobicContact CE2-CD1 3.37Å; Y192-L213 HydrophobicContact CE2-CG 3.66Å |
| 193 | Y | 98.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 11% | 0.106 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.4 | -169.5 | -65.2 | -93.2 | 0 | 0 | 0 | 110.8 | M1 L133 L136 D137 V191 I209 V210 | M1-Y193 HydrophobicContact CB-CD2 3.94Å; M1-Y193 HydrophobicContact CB-CG 4.46Å; L133-Y193 HydrophobicContact CD1-CD1 4.36Å; L133-Y193 HydrophobicContact CD1-CD2 4.29Å; L133-Y193 HydrophobicContact CD1-CE1 3.83Å; L133-Y193 HydrophobicContact CD1-CE2 3.75Å; L133-Y193 VanDerWaalsContact CD1-CZ 3.49Å; L136-Y193 HydrophobicContact CB-CD1 3.75Å; L136-Y193 HydrophobicContact CB-CE1 4.16Å; D137-Y193 WeakPolarHBondContact OD1-CE1 3.28Å; D137-Y193 PolarHBondContact OD1-OH 2.82Å; D137-Y193 VanDerWaalsContact OD1-OH 3.05Å; V191-Y193 HydrophobicContact CB-CE2 4.2Å; V191-Y193 HydrophobicContact CG1-CD2 4.37Å; V191-Y193 HydrophobicContact CG1-CE1 4.35Å; V191-Y193 HydrophobicContact CG1-CE2 3.63Å; Y193-I209 CarbonylContact C-O 3.5Å; Y193-I209 WeakPolarHBondContact CA-O 3.43Å; Y193-V210 HydrophobicContact CD1-CB 4.49Å; Y193-V210 HydrophobicContact CD1-CG1 4.2Å; Y193-V210 HydrophobicContact CD1-CG2 3.65Å; Y193-V210 HydrophobicContact CE1-CG1 3.94Å; Y193-V210 HydrophobicContact CE1-CG2 3.77Å |
| 194 | G | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 170 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | A164 P208 I209 | A164-G194 WeakPolarHBondContact O-CA 3.18Å; G194-P208 WeakPolarHBondContact O-CA 3.4Å; G194-I209 PolarHBondContact N-O 2.92Å; G194-I209 PolarHBondContact O-N 3.02Å |
| 195 | Q | 98.7 | Very high | 97.8 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 155.7 | 175.9 | -66.8 | -171.1 | -89.5 | 0 | 0 | 110.3 | L136 A164 S197 P208 | L136-Q195 HydrophobicContact CD2-CG 3.81Å; A164-Q195 PolarHBondContact O-N 3.09Å; Q195-S197 PolarHBondContact O-N 3.38Å; Q195-S197 PolarHBondContact O-OG 3.25Å; Q195-P208 HydrophobicContact CG-CB 4.44Å |
| 196 | C | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | trans | -57 | 128 | 171.3 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | W106 S162 E198 H204 M207 | W106-C196 HydrophobicContact CZ2-CB 4.32Å; S162-C196 WeakPolarHBondContact O-CA 3.14Å; C196-E198 PolarHBondContact SG-O 2.8Å; C196-E198 VanDerWaalsContact SG-O 3.33Å; C196-H204 PolarHBondContact O-CE1 3.5Å; C196-M207 HydrophobicContact CB-CE 4.23Å; C196-M207 HydrophobicContact CB-CG 3.64Å; C196-M207 HydrophobicContact CB-SD 4Å | ||
| 197 | S | 98.6 | Very high | 98.1 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | trans | -114.3 | 22.6 | -172.6 | -65.7 | 0 | 0 | 0 | 0 | 113.8 | S162 A164 K171 Q195 | S162-S197 PolarHBondContact O-N 3.23Å; A164-S197 VanDerWaalsContact CB-OG 3.25Å; A164-S197 WeakPolarHBondContact CB-OG 3.47Å; K171-S197 PolarHBondContact NZ-O 2.72Å; Q195-S197 PolarHBondContact O-N 3.38Å; Q195-S197 PolarHBondContact O-OG 3.25Å | ||
| 198 | E | 98.6 | Very high | 98.2 | Very high | 64 Ų | 64 | 49 Ų | 49 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -143.5 | 136.9 | 175.4 | -176.5 | 54.8 | -139.6 | 0 | 0 | 110.4 | L160 C196 C200 H204 | L160-E198 HydrophobicContact CB-CG 3.78Å; C196-E198 PolarHBondContact SG-O 2.8Å; C196-E198 VanDerWaalsContact SG-O 3.33Å; E198-C200 PolarHBondContact O-N 3.03Å; E198-H204 PolarHBondContact O-CE1 3.44Å; E198-H204 PolarHBondContact O-ND1 3.01Å |
| 199 | I | 98.3 | Very high | 98.3 | Very high | 132 Ų | 132 | 44.4 Ų | 44.4 | 68% | 0.677 | 27% | 0.267 | S | S | * | . | trans | -65.7 | 115.7 | -172.1 | -174 | 170.9 | 0 | 0 | 0 | 111.6 | ||||
| 200 | C | 97.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | trans | -124.5 | 15.3 | -172.7 | 65.8 | 0 | 0 | 0 | 0 | 114.9 | Q103 W104 V159 L160 H161 E198 H204 M207 | Q103-C200 PolarHBondContact NE2-O 3.05Å; W104-C200 PolarHBondContact NE1-O 3.14Å; V159-C200 HydrophobicContact CG2-CB 3.82Å; L160-C200 VanDerWaalsContact O-CB 3.32Å; L160-C200 WeakPolarHBondContact O-CB 3.41Å; H161-C200 WeakPolarHBondContact CE1-CB 3.49Å; H161-C200 WeakPolarHBondContact ND1-CB 3.44Å; H161-C200 PolarHBondContact ND1-SG 3.2Å; H161-C200 VanDerWaalsContact ND1-SG 3.41Å; E198-C200 PolarHBondContact O-N 3.03Å; C200-H204 VanDerWaalsContact SG-CA 3.56Å; C200-M207 PolarHBondContact SG-SD 3.2Å | ||
| 201 | G | 98.2 | Very high | 98.4 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 111.3 | -155 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N203 H204 | G201-N203 PolarHBondContact O-N 3.1Å; G201-H204 VanDerWaalsContact O-CB 3.28Å; G201-H204 WeakPolarHBondContact O-CB 3.47Å; G201-H204 PolarHBondContact O-N 3.21Å; G201-H204 VanDerWaalsContact O-N 3.12Å |
| 202 | A | 97.9 | Very high | 98.4 | Very high | 84 Ų | 84 | 40.2 Ų | 40.2 | 69% | 0.694 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -41.2 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | W104 | W104-A202 HydrophobicContact CH2-CB 3.93Å; W104-A202 HydrophobicContact CZ2-CB 3.72Å |
| 203 | N | 98.1 | Very high | 98.4 | Very high | 66 Ų | 66 | 39.2 Ų | 39.2 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 30.6 | -179.8 | -64.6 | -27.5 | 0 | 0 | 0 | 112.8 | W104 G201 S205 F206 | W104-N203 HydrophobicContact CB-CB 3.72Å; W104-N203 HydrophobicContact CD2-CB 3.5Å; W104-N203 HydrophobicContact CE3-CB 3.83Å; W104-N203 HydrophobicContact CG-CB 3.45Å; W104-N203 VanDerWaalsContact CG-CB 3.45Å; G201-N203 PolarHBondContact O-N 3.1Å; N203-S205 PolarHBondContact O-N 2.58Å; N203-S205 VanDerWaalsContact O-N 3.16Å; N203-F206 HydrophobicContact CB-CB 4.16Å; N203-F206 HydrophobicContact CB-CD2 3.85Å; N203-F206 PolarHBondContact O-N 3.45Å |
| 204 | H | 98.5 | Very high | 98.3 | Very high | 49 Ų | 49 | 39 Ų | 39 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -50 | -40.6 | 176.7 | 169.1 | 51.8 | 0 | 0 | 0 | 113.1 | C196 E198 C200 G201 F206 | C196-H204 PolarHBondContact O-CE1 3.5Å; E198-H204 PolarHBondContact O-CE1 3.44Å; E198-H204 PolarHBondContact O-ND1 3.01Å; C200-H204 VanDerWaalsContact SG-CA 3.56Å; G201-H204 VanDerWaalsContact O-CB 3.28Å; G201-H204 WeakPolarHBondContact O-CB 3.47Å; G201-H204 PolarHBondContact O-N 3.21Å; G201-H204 VanDerWaalsContact O-N 3.12Å; H204-F206 PolarHBondContact O-N 3.33Å |
| 205 | S | 98.2 | Very high | 98.1 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -75.3 | -2.8 | 179.2 | -50.2 | 0 | 0 | 0 | 0 | 114.9 | N203 | N203-S205 PolarHBondContact O-N 2.58Å; N203-S205 VanDerWaalsContact O-N 3.16Å |
| 206 | F | 98.6 | Very high | 97.8 | Very high | 78 Ų | 78 | 40.7 Ų | 40.7 | 34% | 0.342 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -124.3 | 29.4 | -167 | -52.9 | -55.8 | 0 | 0 | 0 | 113.5 | M122 L135 N203 H204 | M122-F206 WeakPolarHBondContact CB-O 3.48Å; M122-F206 HydrophobicContact CE-CB 3.7Å; M122-F206 HydrophobicContact CE-CD1 3.82Å; M122-F206 HydrophobicContact CE-CG 4.03Å; M122-F206 HydrophobicContact SD-CB 3.72Å; M122-F206 HydrophobicContact SD-CD1 3.82Å; M122-F206 HydrophobicContact SD-CG 4.23Å; L135-F206 HydrophobicContact CD1-CE1 4.13Å; L135-F206 HydrophobicContact CD2-CD1 3.83Å; L135-F206 HydrophobicContact CD2-CE1 3.75Å; N203-F206 HydrophobicContact CB-CB 4.16Å; N203-F206 HydrophobicContact CB-CD2 3.85Å; N203-F206 PolarHBondContact O-N 3.45Å; H204-F206 PolarHBondContact O-N 3.33Å |
| 207 | M | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | -129.9 | 69.3 | 174 | 54.6 | 179.6 | -64.5 | 0 | 0 | 111.2 | H102 W104 W106 H161 C196 C200 | H102-M207 WeakPolarHBondContact O-CE 3.49Å; W104-M207 HydrophobicContact CB-CB 4.35Å; W104-M207 HydrophobicContact CB-SD 4.15Å; W106-M207 HydrophobicContact CD2-CE 4.18Å; W106-M207 HydrophobicContact CG-CE 4.44Å; W106-M207 HydrophobicContact CZ2-CE 3.84Å; W106-M207 PolarHBondContact NE1-O 3.49Å; W106-M207 VanDerWaalsContact NE1-O 3.16Å; H161-M207 VanDerWaalsContact ND1-CE 3.25Å; H161-M207 WeakPolarHBondContact ND1-CE 3.44Å; H161-M207 PolarHBondContact ND1-SD 3.41Å; C196-M207 HydrophobicContact CB-CE 4.23Å; C196-M207 HydrophobicContact CB-CG 3.64Å; C196-M207 HydrophobicContact CB-SD 4Å; C200-M207 PolarHBondContact SG-SD 3.2Å | ||
| 208 | P | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 170.3 | -178.4 | 33 | -34.1 | 0 | 0 | 0 | 111.8 | M122 L135 L136 V138 G194 Q195 | M122-P208 HydrophobicContact CB-CG 3.99Å; M122-P208 HydrophobicContact CG-CG 3.95Å; L135-P208 WeakPolarHBondContact O-CG 3.43Å; L136-P208 WeakPolarHBondContact O-CB 3.43Å; L136-P208 WeakPolarHBondContact O-CG 3.46Å; V138-P208 HydrophobicContact CG1-CG 3.69Å; G194-P208 WeakPolarHBondContact O-CA 3.4Å; Q195-P208 HydrophobicContact CG-CB 4.44Å |
| 209 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.6 | 178.2 | -65 | 155.1 | 0 | 0 | 0 | 106.6 | W106 W163 V165 Y193 G194 L211 | W106-I209 HydrophobicContact CG-CG1 4.42Å; W106-I209 HydrophobicContact CZ2-CD1 4.16Å; W163-I209 HydrophobicContact CB-CD1 4.31Å; W163-I209 HydrophobicContact CD2-CD1 4.22Å; W163-I209 HydrophobicContact CG-CD1 3.74Å; W163-I209 HydrophobicContact CZ2-CG2 3.82Å; V165-I209 HydrophobicContact CG2-CG2 3.79Å; Y193-I209 CarbonylContact C-O 3.5Å; Y193-I209 WeakPolarHBondContact CA-O 3.43Å; G194-I209 PolarHBondContact N-O 2.92Å; G194-I209 PolarHBondContact O-N 3.02Å; I209-L211 HydrophobicContact CG2-CD2 4.47Å |
| 210 | V | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 120 | 175.8 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | L136 V138 R141 V142 V191 Y192 Y193 | L136-V210 WeakPolarHBondContact O-CG2 3.39Å; V138-V210 HydrophobicContact CB-CG2 4.34Å; V138-V210 HydrophobicContact CG1-CG2 3.95Å; V138-V210 HydrophobicContact CG2-CB 3.7Å; V138-V210 HydrophobicContact CG2-CG2 3.62Å; R141-V210 HydrophobicContact CB-CG1 4.36Å; R141-V210 HydrophobicContact CG-CB 4.03Å; R141-V210 HydrophobicContact CG-CG1 3.71Å; V142-V210 PolarHBondContact N-O 3.26Å; V191-V210 HydrophobicContact CG1-CG1 3.35Å; Y192-V210 WeakPolarHBondContact O-CA 3.12Å; Y193-V210 HydrophobicContact CD1-CB 4.49Å; Y193-V210 HydrophobicContact CD1-CG1 4.2Å; Y193-V210 HydrophobicContact CD1-CG2 3.65Å; Y193-V210 HydrophobicContact CE1-CG1 3.94Å; Y193-V210 HydrophobicContact CE1-CG2 3.77Å |
| 211 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 134 | 172.3 | -57.5 | -174.8 | 0 | 0 | 0 | 109.4 | V142 L144 W163 V165 L168 F184 V191 Y192 I209 L213 | V142-L211 HydrophobicContact CB-CD2 3.58Å; V142-L211 HydrophobicContact CG1-CD2 3.81Å; V142-L211 HydrophobicContact CG2-CD2 4.18Å; V142-L211 CarbonylContact O-C 3.52Å; V142-L211 WeakPolarHBondContact O-CA 3.26Å; L144-L211 HydrophobicContact CD1-CD1 4.28Å; L144-L211 HydrophobicContact CD1-CD2 3.92Å; W163-L211 HydrophobicContact CH2-CD1 4.11Å; W163-L211 HydrophobicContact CH2-CD2 4.28Å; W163-L211 HydrophobicContact CZ2-CD1 4.48Å; W163-L211 HydrophobicContact CZ2-CD2 3.88Å; V165-L211 HydrophobicContact CB-CD1 4.48Å; V165-L211 HydrophobicContact CG1-CD1 4.14Å; V165-L211 HydrophobicContact CG2-CD1 4.03Å; V165-L211 HydrophobicContact CG2-CG 4.28Å; L168-L211 HydrophobicContact CD1-CD1 3.43Å; L168-L211 VanDerWaalsContact CD1-CD1 3.43Å; F184-L211 HydrophobicContact CZ-CD1 4.29Å; V191-L211 CarbonylContact C-O 3.53Å; V191-L211 VanDerWaalsContact CA-O 3.3Å; V191-L211 WeakPolarHBondContact CA-O 3.13Å; Y192-L211 PolarHBondContact N-O 3.43Å; Y192-L211 PolarHBondContact O-N 2.69Å; I209-L211 HydrophobicContact CG2-CD2 4.47Å; L211-L213 HydrophobicContact CB-CD2 4.13Å |
| 212 | E | 97.7 | Very high | 93.9 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110.1 | 170.7 | -179.1 | 169.5 | 164.8 | 0 | 0 | 109.1 | R141 V142 V143 L144 V191 I214 | R141-E212 HydrophobicContact CB-CB 4.33Å; R141-E212 WeakPolarHBondContact CD-OE2 3.39Å; R141-E212 IonicContact NH1-OE2 3.83Å; V142-E212 PolarHBondContact O-N 2.95Å; V143-E212 CarbonylContact C-O 3.59Å; V143-E212 VanDerWaalsContact CA-O 3.29Å; V143-E212 WeakPolarHBondContact CA-O 3.45Å; V143-E212 HydrophobicContact CG2-CB 4.33Å; L144-E212 PolarHBondContact N-O 3.22Å; V191-E212 HydrophobicContact CG2-CG 4.35Å; E212-I214 HydrophobicContact CG-CG2 4.14Å |
| 213 | L | 97.3 | Very high | 92 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.9 | -175.6 | -49.3 | -168.9 | 0 | 0 | 0 | 110.4 | L144 I146 A186 P189 G190 Y192 L211 | L144-L213 HydrophobicContact CB-CD2 3.56Å; L144-L213 HydrophobicContact CD1-CD2 3.95Å; L144-L213 HydrophobicContact CG-CD2 4.16Å; L144-L213 VanDerWaalsContact O-CA 3.31Å; L144-L213 WeakPolarHBondContact O-CA 3.25Å; I146-L213 HydrophobicContact CG2-CB 3.62Å; A186-L213 HydrophobicContact CB-CD1 3.03Å; A186-L213 HydrophobicContact CB-CG 4.43Å; P189-L213 CarbonylContact C-O 3.53Å; P189-L213 WeakPolarHBondContact CA-O 3.24Å; P189-L213 WeakPolarHBondContact CB-O 3.32Å; G190-L213 PolarHBondContact N-O 2.77Å; G190-L213 PolarHBondContact O-N 2.99Å; Y192-L213 HydrophobicContact CD2-CD1 3.52Å; Y192-L213 HydrophobicContact CD2-CG 3.65Å; Y192-L213 HydrophobicContact CE2-CB 4.1Å; Y192-L213 HydrophobicContact CE2-CD1 3.37Å; Y192-L213 HydrophobicContact CE2-CG 3.66Å; L211-L213 HydrophobicContact CB-CD2 4.13Å |
| 214 | I | 96.3 | Very high | 90.1 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 160.5 | -174.2 | 57.8 | 170.3 | 0 | 0 | 0 | 111.1 | V143 L144 P145 I146 E212 L216 I218 F219 P223 | V143-I214 HydrophobicContact CG1-CD1 3.42Å; V143-I214 VanDerWaalsContact CG1-CD1 3.42Å; V143-I214 HydrophobicContact CG1-CG1 3.8Å; L144-I214 PolarHBondContact O-N 3.48Å; P145-I214 CarbonylContact C-O 3.57Å; P145-I214 VanDerWaalsContact CA-O 3.27Å; P145-I214 WeakPolarHBondContact CA-O 3.45Å; I146-I214 PolarHBondContact N-O 3.41Å; E212-I214 HydrophobicContact CG-CG2 4.14Å; I214-L216 PolarHBondContact O-N 3.05Å; I214-I218 HydrophobicContact CD1-CB 4.29Å; I214-I218 HydrophobicContact CD1-CG2 4Å; I214-F219 HydrophobicContact CD1-CB 3.96Å; I214-F219 HydrophobicContact CG1-CB 4.1Å; I214-P223 HydrophobicContact CD1-CG 4.25Å |
| 215 | P | 95.8 | Very high | 87.9 | Confident | 55 Ų | 55 | 48 Ų | 48 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | trans | -55.3 | 138 | 171.9 | -26.5 | 35.1 | 0 | 0 | 0 | 112.5 | K217 I218 F219 | P215-K217 PolarHBondContact O-N 2.92Å; P215-K217 VanDerWaalsContact O-N 3.15Å; P215-I218 HydrophobicContact CB-CD1 4.4Å; P215-I218 HydrophobicContact CB-CG1 4.35Å; P215-I218 HydrophobicContact CG-CD1 4.15Å; P215-I218 WeakPolarHBondContact O-CB 3.49Å; P215-I218 PolarHBondContact O-N 3.4Å; P215-F219 PolarHBondContact O-N 2.85Å; P215-F219 VanDerWaalsContact O-N 3.08Å | ||
| 216 | L | 91.6 | Very high | 85.5 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -50.4 | -43.3 | -178.4 | 178.1 | 63.3 | 0 | 0 | 0 | 112.9 | P145 I214 I218 F219 E220 | P145-L216 HydrophobicContact CB-CB 4.15Å; P145-L216 HydrophobicContact CB-CD1 3.72Å; P145-L216 HydrophobicContact CG-CD1 4.17Å; I214-L216 PolarHBondContact O-N 3.05Å; L216-I218 PolarHBondContact O-N 3.12Å; L216-F219 HydrophobicContact CD1-CD1 4.28Å; L216-F219 WeakPolarHBondContact O-CB 3.44Å; L216-F219 PolarHBondContact O-N 3.17Å; L216-F219 VanDerWaalsContact O-N 3.11Å; L216-E220 HydrophobicContact CD1-CG 4.14Å; L216-E220 HydrophobicContact CG-CG 4.4Å; L216-E220 WeakPolarHBondContact O-CG 3.09Å; L216-E220 PolarHBondContact O-N 3.45Å |
| 217 | K | 91.3 | Very high | 82.9 | Confident | 149 Ų | 149 | 54.7 Ų | 54.7 | 65% | 0.648 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.4 | -34.7 | 178.2 | -175.7 | 175.2 | -178.8 | -179 | 0 | 113.2 | P215 M221 | P215-K217 PolarHBondContact O-N 2.92Å; P215-K217 VanDerWaalsContact O-N 3.15Å; K217-M221 HydrophobicContact CD-CE 4.31Å; K217-M221 HydrophobicContact CG-CE 3.82Å; K217-M221 VanDerWaalsContact O-CG 3.24Å; K217-M221 WeakPolarHBondContact O-CG 3.49Å; K217-M221 PolarHBondContact O-N 3.2Å |
| 218 | I | 91.2 | Very high | 82.1 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 43% | 0.431 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -78.2 | -41.1 | 177.5 | -58.6 | -178.6 | 0 | 0 | 0 | 109.6 | I214 P215 L216 E220 M221 P223 | I214-I218 HydrophobicContact CD1-CB 4.29Å; I214-I218 HydrophobicContact CD1-CG2 4Å; P215-I218 HydrophobicContact CB-CD1 4.4Å; P215-I218 HydrophobicContact CB-CG1 4.35Å; P215-I218 HydrophobicContact CG-CD1 4.15Å; P215-I218 WeakPolarHBondContact O-CB 3.49Å; P215-I218 PolarHBondContact O-N 3.4Å; L216-I218 PolarHBondContact O-N 3.12Å; I218-E220 VanDerWaalsContact C-N 3.3Å; I218-E220 PolarHBondContact O-N 3.25Å; I218-M221 WeakPolarHBondContact O-CB 3.36Å; I218-M221 PolarHBondContact O-N 3.16Å; I218-M221 VanDerWaalsContact O-N 3.12Å; I218-P223 HydrophobicContact CG2-CG 4.15Å; I218-P223 WeakPolarHBondContact O-CD 3.29Å; I218-P223 WeakPolarHBondContact O-CG 3.41Å |
| 219 | F | 90 | Very high | 81.2 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.4 | -46.5 | 174.6 | 176.9 | -96.8 | 0 | 0 | 0 | 111.8 | L95 Y110 Y113 V143 P145 I214 P215 L216 M221 G222 V224 | L95-F219 HydrophobicContact CD2-CE1 4.16Å; L95-F219 HydrophobicContact CD2-CZ 3.78Å; Y110-F219 HydrophobicContact CE1-CE2 4.34Å; Y110-F219 HydrophobicContact CE1-CZ 4.42Å; Y113-F219 HydrophobicContact CD2-CE1 4.48Å; Y113-F219 AromaticContact CE2-CE1 3.86Å; Y113-F219 HydrophobicContact CE2-CE1 3.86Å; Y113-F219 HydrophobicContact CE2-CZ 4.28Å; Y113-F219 AromaticContact CZ-CE1 3.91Å; V143-F219 HydrophobicContact CG1-CD2 4.32Å; V143-F219 VanDerWaalsContact O-CE2 3.32Å; V143-F219 WeakPolarHBondContact O-CE2 3.28Å; P145-F219 HydrophobicContact CB-CB 4.34Å; P145-F219 HydrophobicContact CB-CD1 4.41Å; P145-F219 HydrophobicContact CB-CG 4.29Å; P145-F219 HydrophobicContact CG-CD1 4.28Å; P145-F219 HydrophobicContact CG-CE1 4.47Å; P145-F219 HydrophobicContact CG-CG 4.44Å; I214-F219 HydrophobicContact CD1-CB 3.96Å; I214-F219 HydrophobicContact CG1-CB 4.1Å; P215-F219 PolarHBondContact O-N 2.85Å; P215-F219 VanDerWaalsContact O-N 3.08Å; L216-F219 HydrophobicContact CD1-CD1 4.28Å; L216-F219 WeakPolarHBondContact O-CB 3.44Å; L216-F219 PolarHBondContact O-N 3.17Å; L216-F219 VanDerWaalsContact O-N 3.11Å; F219-M221 VanDerWaalsContact C-N 3.3Å; F219-M221 PolarHBondContact O-N 2.77Å; F219-G222 PolarHBondContact O-N 2.97Å; F219-V224 HydrophobicContact CD2-CG2 3.69Å; F219-V224 HydrophobicContact CE2-CG2 3.75Å |
| 220 | E | 85.3 | Confident | 80.2 | Confident | 116 Ų | 116 | 63.7 Ų | 63.7 | 54% | 0.542 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68 | -23.8 | 178.4 | -69.6 | 176.7 | 164.8 | 0 | 0 | 114.2 | L216 I218 G222 | L216-E220 HydrophobicContact CD1-CG 4.14Å; L216-E220 HydrophobicContact CG-CG 4.4Å; L216-E220 WeakPolarHBondContact O-CG 3.09Å; L216-E220 PolarHBondContact O-N 3.45Å; I218-E220 VanDerWaalsContact C-N 3.3Å; I218-E220 PolarHBondContact O-N 3.25Å; E220-G222 PolarHBondContact O-N 2.9Å |
| 221 | M | 83.3 | Confident | 79.2 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 69% | 0.685 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -6.2 | 175.6 | -74 | 171.5 | -178.5 | 0 | 0 | 113.2 | K217 I218 F219 | K217-M221 HydrophobicContact CD-CE 4.31Å; K217-M221 HydrophobicContact CG-CE 3.82Å; K217-M221 VanDerWaalsContact O-CG 3.24Å; K217-M221 WeakPolarHBondContact O-CG 3.49Å; K217-M221 PolarHBondContact O-N 3.2Å; I218-M221 WeakPolarHBondContact O-CB 3.36Å; I218-M221 PolarHBondContact O-N 3.16Å; I218-M221 VanDerWaalsContact O-N 3.12Å; F219-M221 VanDerWaalsContact C-N 3.3Å; F219-M221 PolarHBondContact O-N 2.77Å |
| 222 | G | 68.4 | Low | 78 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | trans | 83.9 | 27.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | F219 E220 V224 F225 | F219-G222 PolarHBondContact O-N 2.97Å; E220-G222 PolarHBondContact O-N 2.9Å; G222-V224 PolarHBondContact O-N 2.94Å; G222-V224 VanDerWaalsContact O-N 3.09Å; G222-F225 VanDerWaalsContact CA-CD2 3.46Å; G222-F225 PolarHBondContact O-N 2.9Å | ||
| 223 | P | 56.8 | Low | 76.6 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -59.6 | -19 | 167.5 | 26.5 | -30.9 | 0 | 0 | 0 | 112.3 | I214 I218 T226 | I214-P223 HydrophobicContact CD1-CG 4.25Å; I218-P223 HydrophobicContact CG2-CG 4.15Å; I218-P223 WeakPolarHBondContact O-CD 3.29Å; I218-P223 WeakPolarHBondContact O-CG 3.41Å; P223-T226 PolarHBondContact O-OG1 3.26Å |
| 224 | V | 59.1 | Low | 75.2 | Confident | 5 Ų | 5 | 77.1 Ų | 77.1 | 3% | 0.03 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -74.4 | -22.7 | 174.2 | -164.2 | 0 | 0 | 0 | 0 | 112.7 | Y110 L116 V143 F219 G222 | Y110-V224 HydrophobicContact CE1-CG1 4.33Å; L116-V224 HydrophobicContact CD2-CG1 3.8Å; L116-V224 WeakPolarHBondContact CD2-O 3.29Å; V143-V224 HydrophobicContact CB-CG1 4.36Å; V143-V224 HydrophobicContact CB-CG2 3.69Å; V143-V224 HydrophobicContact CG1-CG2 3.67Å; V143-V224 HydrophobicContact CG2-CG2 4.43Å; F219-V224 HydrophobicContact CD2-CG2 3.69Å; F219-V224 HydrophobicContact CE2-CG2 3.75Å; G222-V224 PolarHBondContact O-N 2.94Å; G222-V224 VanDerWaalsContact O-N 3.09Å |
| 225 | F | 52.8 | Low | 73.5 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 39% | 0.386 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -102.2 | 4.2 | -175.3 | -53.3 | -64.6 | 0 | 0 | 0 | 113.8 | Y113 L116 G222 | Y113-F225 HydrophobicContact CD1-CZ 4.02Å; Y113-F225 AromaticContact CG-CZ 3.97Å; Y113-F225 HydrophobicContact CG-CZ 3.97Å; L116-F225 HydrophobicContact CB-CD1 4.49Å; L116-F225 HydrophobicContact CB-CE1 4.45Å; L116-F225 HydrophobicContact CD2-CD1 4.09Å; L116-F225 HydrophobicContact CD2-CE1 4.26Å; G222-F225 VanDerWaalsContact CA-CD2 3.46Å; G222-F225 PolarHBondContact O-N 2.9Å |
| 226 | T | 46.7 | Very low | 71.7 | Confident | 118 Ų | 118 | 83.4 Ų | 83.4 | 72% | 0.724 | 43% | 0.429 | S | S | * | . | trans | -112.5 | 3 | -178.7 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | P223 | P223-T226 PolarHBondContact O-OG1 3.26Š| ||
| 227 | L | 43.8 | Very low | 69.9 | Low | 170 Ų | 170 | 85 Ų | 85 | 89% | 0.89 | 44% | 0.437 | S | S | * | . | trans | -78.8 | 0 | 168.8 | -74.5 | 166.6 | 0 | 0 | 0 | 110.5 |
Retrieved 227 of 227 residues in 106.5 ms
(Link to these results)