| 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 | 35.2 | Very low | 46.4 | Very low | 243 Ų | 243 | 109.7 Ų | 109.7 | 100% | 1.197 | 59% | 0.593 | S | S | * | * | 0 | 106.4 | 0 | -72.6 | 170.4 | 66.8 | 0 | 0 | 107.6 | |||||
| 2 | T | 33.2 | Very low | 47.7 | Very low | 134 Ų | 134 | 103 Ų | 103 | 82% | 0.822 | 56% | 0.564 | S | S | * | * | trans | -120.7 | 127.3 | 167.4 | 40.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 3 | A | 39.8 | Very low | 48.8 | Very low | 91 Ų | 91 | 101.5 Ų | 101.5 | 75% | 0.752 | 55% | 0.55 | S | S | * | * | trans | -65.4 | 142.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E5 | A3-E5 PolarHBondContact O-N 3.34Š| ||
| 4 | E | 43.3 | Very low | 49.8 | Very low | 142 Ų | 142 | 98.9 Ų | 98.9 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | trans | -69.1 | 118.8 | 161.8 | -66.8 | -179.8 | -176.9 | 0 | 0 | 107.2 | T6 N266 | E4-T6 VanDerWaalsContact C-N 3.3Å; E4-T6 PolarHBondContact O-N 2.89Å; E4-N266 PolarHBondContact OE2-ND2 2.93Å | ||
| 5 | E | 46.8 | Very low | 50.8 | Low | 142 Ų | 142 | 93.5 Ų | 93.5 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | trans | -77.1 | 85.3 | 179.9 | -69.2 | -178.8 | 164.5 | 0 | 0 | 109.1 | A3 V7 L265 | A3-E5 PolarHBondContact O-N 3.34Å; E5-V7 PolarHBondContact O-N 3.46Å; E5-L265 HydrophobicContact CB-CD2 4Å; E5-L265 WeakPolarHBondContact O-CD2 3.35Å | ||
| 6 | T | 45.6 | Very low | 51.6 | Low | 89 Ų | 89 | 93.7 Ų | 93.7 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | trans | -74.5 | 120.6 | 176.2 | 54 | 0 | 0 | 0 | 0 | 110.5 | E4 N266 | E4-T6 VanDerWaalsContact C-N 3.3Å; E4-T6 PolarHBondContact O-N 2.89Å; T6-N266 VanDerWaalsContact CA-O 3.26Å; T6-N266 WeakPolarHBondContact CA-O 3.46Å; T6-N266 HydrophobicContact CG2-CB 3.98Å | ||
| 7 | V | 47.1 | Very low | 52.2 | Low | 66 Ų | 66 | 91.5 Ų | 91.5 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 106.8 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 109 | E5 V9 L265 N266 I267 H268 | E5-V7 PolarHBondContact O-N 3.46Å; V7-V9 HydrophobicContact CG1-CG2 4.01Å; V7-L265 HydrophobicContact CG2-CD2 4.24Å; V7-N266 PolarHBondContact N-O 3.12Å; V7-N266 VanDerWaalsContact N-O 3.11Å; V7-I267 CarbonylContact O-C 3.58Å; V7-I267 WeakPolarHBondContact O-CA 2.9Å; V7-H268 PolarHBondContact O-N 2.92Å |
| 8 | N | 47.2 | Very low | 52.9 | Low | 96 Ų | 96 | 90.3 Ų | 90.3 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.1 | 175.2 | -68.9 | 29 | 0 | 0 | 0 | 109.9 | H268 | N8-H268 CarbonylContact C-O 3.55Å; N8-H268 WeakPolarHBondContact CA-O 3.47Å |
| 9 | V | 52.5 | Low | 53.7 | Low | 35 Ų | 35 | 85.6 Ų | 85.6 | 21% | 0.212 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.4 | 177.9 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | V7 I14 I267 H268 V269 D270 | V7-V9 HydrophobicContact CG1-CG2 4.01Å; V9-I14 HydrophobicContact CG1-CD1 3.79Å; V9-I14 HydrophobicContact CG1-CG1 3.74Å; V9-I267 HydrophobicContact CG2-CG2 4.32Å; V9-H268 PolarHBondContact N-O 2.77Å; V9-V269 VanDerWaalsContact O-CA 3.32Å; V9-V269 WeakPolarHBondContact O-CA 3.41Å; V9-D270 PolarHBondContact O-N 2.89Å |
| 10 | K | 57.4 | Low | 54.3 | Low | 97 Ų | 97 | 84.7 Ų | 84.7 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.3 | 176.9 | -49.9 | -167.1 | -161.3 | 68.2 | 0 | 110.7 | A12 E13 I14 D270 | K10-A12 PolarHBondContact O-N 3.25Å; K10-E13 HydrophobicContact CB-CB 4.42Å; K10-E13 HydrophobicContact CB-CG 4.07Å; K10-E13 WeakPolarHBondContact CD-OE1 3.41Å; K10-E13 IonicContact NZ-OE1 2.63Å; K10-E13 PolarHBondContact NZ-OE1 3.35Å; K10-E13 IonicContact NZ-OE2 3.76Å; K10-E13 WeakPolarHBondContact O-CB 3.1Å; K10-E13 PolarHBondContact O-N 3.34Å; K10-I14 PolarHBondContact O-N 3.08Å; K10-D270 HydrophobicContact CB-CB 4.42Å; K10-D270 HydrophobicContact CG-CB 4.15Å |
| 11 | E | 62.6 | Low | 54.9 | Low | 72 Ų | 72 | 85.6 Ų | 85.6 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.7 | -36.3 | 178.2 | -173.9 | 170.3 | -161.1 | 0 | 0 | 111.8 | E13 I14 I15 V269 D270 K271 L272 | E11-E13 VanDerWaalsContact C-N 3.29Å; E11-E13 PolarHBondContact O-N 3.42Å; E11-I14 PolarHBondContact O-N 3.5Å; E11-I15 HydrophobicContact CG-CD1 3.93Å; E11-I15 VanDerWaalsContact O-CG1 3.28Å; E11-I15 WeakPolarHBondContact O-CG1 3.34Å; E11-I15 PolarHBondContact O-N 3.18Å; E11-V269 HydrophobicContact CB-CG1 4.42Å; E11-D270 WeakPolarHBondContact CB-O 3.45Å; E11-D270 PolarHBondContact N-O 3.47Å; E11-K271 VanDerWaalsContact OE2-CA 3.26Å; E11-K271 WeakPolarHBondContact OE2-CA 3.47Å; E11-L272 HydrophobicContact CB-CB 4.14Å; E11-L272 HydrophobicContact CG-CB 4.24Å; E11-L272 PolarHBondContact OE2-N 3.07Å |
| 12 | A | 62.2 | Low | 56.4 | Low | 29 Ų | 29 | 75 Ų | 75 | 24% | 0.24 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.2 | -27.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K10 K16 V40 L272 | K10-A12 PolarHBondContact O-N 3.25Å; A12-K16 WeakPolarHBondContact O-CG 3.46Å; A12-K16 PolarHBondContact O-N 3.18Å; A12-K16 VanDerWaalsContact O-N 3.11Å; A12-V40 HydrophobicContact CB-CG2 4.19Å; A12-L272 HydrophobicContact CB-CD1 4.4Å |
| 13 | E | 61.6 | Low | 58.1 | Low | 83 Ų | 83 | 71.6 Ų | 71.6 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -78.7 | -37.1 | 177.8 | -69.5 | 162.4 | -173.8 | 0 | 0 | 110.7 | K10 E11 L17 | K10-E13 HydrophobicContact CB-CB 4.42Å; K10-E13 HydrophobicContact CB-CG 4.07Å; K10-E13 WeakPolarHBondContact CD-OE1 3.41Å; K10-E13 IonicContact NZ-OE1 2.63Å; K10-E13 PolarHBondContact NZ-OE1 3.35Å; K10-E13 IonicContact NZ-OE2 3.76Å; K10-E13 WeakPolarHBondContact O-CB 3.1Å; K10-E13 PolarHBondContact O-N 3.34Å; E11-E13 VanDerWaalsContact C-N 3.29Å; E11-E13 PolarHBondContact O-N 3.42Å; E13-L17 PolarHBondContact O-N 3.22Å |
| 14 | I | 62.8 | Low | 59.4 | Low | 65 Ų | 65 | 71.4 Ų | 71.4 | 33% | 0.333 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 170.2 | -55.6 | 173.3 | 0 | 0 | 0 | 110 | V9 K10 E11 K16 L17 I18 | V9-I14 HydrophobicContact CG1-CD1 3.79Å; V9-I14 HydrophobicContact CG1-CG1 3.74Å; K10-I14 PolarHBondContact O-N 3.08Å; E11-I14 PolarHBondContact O-N 3.5Å; I14-K16 PolarHBondContact O-N 3.35Å; I14-L17 PolarHBondContact O-N 3.31Å; I14-I18 HydrophobicContact CG2-CD1 3.97Å; I14-I18 WeakPolarHBondContact O-CG1 3.29Å; I14-I18 PolarHBondContact O-N 2.93Å |
| 15 | I | 64 | Low | 60.6 | Low | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | -179.9 | -70.3 | 164.4 | 0 | 0 | 0 | 111.2 | E11 L17 I18 L19 L34 V40 L272 | E11-I15 HydrophobicContact CG-CD1 3.93Å; E11-I15 VanDerWaalsContact O-CG1 3.28Å; E11-I15 WeakPolarHBondContact O-CG1 3.34Å; E11-I15 PolarHBondContact O-N 3.18Å; I15-L17 PolarHBondContact O-N 3.4Å; I15-I18 PolarHBondContact O-N 2.84Å; I15-L19 HydrophobicContact CG2-CD1 3.93Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.34Å; I15-L19 PolarHBondContact O-N 2.9Å; I15-L34 HydrophobicContact CG2-CD1 4.27Å; I15-L34 HydrophobicContact CG2-CD2 4.33Å; I15-L34 HydrophobicContact CG2-CG 4.13Å; I15-V40 HydrophobicContact CG2-CB 3.89Å; I15-V40 HydrophobicContact CG2-CG1 4.19Å; I15-V40 HydrophobicContact CG2-CG2 4.31Å; I15-L272 HydrophobicContact CD1-CD2 3.93Å |
| 16 | K | 64.7 | Low | 61.6 | Low | 96 Ų | 96 | 70.2 Ų | 70.2 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 173.5 | -77.8 | -177.6 | 177.6 | -173.6 | 0 | 112.6 | A12 I14 I18 L19 D20 V40 | A12-K16 WeakPolarHBondContact O-CG 3.46Å; A12-K16 PolarHBondContact O-N 3.18Å; A12-K16 VanDerWaalsContact O-N 3.11Å; I14-K16 PolarHBondContact O-N 3.35Å; K16-I18 VanDerWaalsContact C-N 3.31Å; K16-I18 PolarHBondContact O-N 2.66Å; K16-L19 PolarHBondContact O-N 2.79Å; K16-L19 VanDerWaalsContact O-N 3.14Å; K16-D20 PolarHBondContact O-N 3.11Å; K16-V40 HydrophobicContact CD-CG1 4.47Å; K16-V40 HydrophobicContact CG-CG1 3.69Å |
| 17 | L | 61.1 | Low | 62.7 | Low | 57 Ų | 57 | 69.9 Ų | 69.9 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 178.3 | -176 | 139.7 | 0 | 0 | 0 | 112.5 | E13 I14 I15 F21 L194 | E13-L17 PolarHBondContact O-N 3.22Å; I14-L17 PolarHBondContact O-N 3.31Å; I15-L17 PolarHBondContact O-N 3.4Å; L17-F21 WeakPolarHBondContact O-CB 3.45Å; L17-F21 PolarHBondContact O-N 3.27Å; L17-L194 HydrophobicContact CD1-CB 4.39Å; L17-L194 HydrophobicContact CD1-CD2 4.32Å |
| 18 | I | 64.9 | Low | 63.8 | Low | 70 Ų | 70 | 67.1 Ų | 67.1 | 36% | 0.359 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.2 | -42.3 | 171.7 | -63.3 | 166.4 | 0 | 0 | 0 | 110.7 | I14 I15 K16 D20 F21 L22 L34 | I14-I18 HydrophobicContact CG2-CD1 3.97Å; I14-I18 WeakPolarHBondContact O-CG1 3.29Å; I14-I18 PolarHBondContact O-N 2.93Å; I15-I18 PolarHBondContact O-N 2.84Å; K16-I18 VanDerWaalsContact C-N 3.31Å; K16-I18 PolarHBondContact O-N 2.66Å; I18-D20 PolarHBondContact O-N 3.36Å; I18-F21 PolarHBondContact O-N 2.93Å; I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 HydrophobicContact CG2-CG 4.25Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 VanDerWaalsContact O-CG 3.26Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 3.09Å; I18-L34 HydrophobicContact CB-CD2 3.96Å; I18-L34 HydrophobicContact CG2-CD2 3.47Å; I18-L34 VanDerWaalsContact CG2-CD2 3.47Å |
| 19 | L | 68.1 | Low | 64.9 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 176.9 | -69.3 | 167.8 | 0 | 0 | 0 | 112.3 | I15 K16 L22 N23 M31 L34 E35 V40 N42 | I15-L19 HydrophobicContact CG2-CD1 3.93Å; I15-L19 HydrophobicContact CG2-CG 4.35Å; I15-L19 VanDerWaalsContact O-CG 3.29Å; I15-L19 WeakPolarHBondContact O-CG 3.34Å; I15-L19 PolarHBondContact O-N 2.9Å; K16-L19 PolarHBondContact O-N 2.79Å; K16-L19 VanDerWaalsContact O-N 3.14Å; L19-L22 PolarHBondContact O-N 3.01Å; L19-N23 VanDerWaalsContact O-CB 3.31Å; L19-N23 WeakPolarHBondContact O-CB 3.42Å; L19-N23 PolarHBondContact O-N 3.49Å; L19-M31 HydrophobicContact CD2-CB 4.37Å; L19-M31 HydrophobicContact CD2-CG 3.62Å; L19-M31 WeakPolarHBondContact CD2-O 3.48Å; L19-L34 HydrophobicContact CD2-CB 3.96Å; L19-L34 HydrophobicContact CD2-CD2 3.82Å; L19-L34 HydrophobicContact CD2-CG 3.93Å; L19-L34 HydrophobicContact CG-CD2 3.94Å; L19-L34 HydrophobicContact CG-CG 4.31Å; L19-E35 HydrophobicContact CD1-CG 4.07Å; L19-E35 HydrophobicContact CD2-CG 3.63Å; L19-V40 HydrophobicContact CD1-CG1 4.31Å; L19-V40 VanDerWaalsContact CD1-O 3.28Å; L19-V40 WeakPolarHBondContact CD1-O 3.33Å; L19-N42 HydrophobicContact CB-CB 4.01Å; L19-N42 HydrophobicContact CD1-CB 4.36Å |
| 20 | D | 65.5 | Low | 65.8 | Low | 67 Ų | 67 | 69 Ų | 69 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 173 | -77.9 | -30.7 | 0 | 0 | 0 | 111.6 | K16 I18 N23 S24 N42 | K16-D20 PolarHBondContact O-N 3.11Å; I18-D20 PolarHBondContact O-N 3.36Å; D20-N23 PolarHBondContact O-N 3.39Å; D20-S24 WeakPolarHBondContact O-CB 3.22Å; D20-S24 PolarHBondContact O-N 3.21Å; D20-N42 PolarHBondContact OD1-ND2 3.23Å; D20-N42 PolarHBondContact OD1-OD1 2.9Å |
| 21 | F | 67.6 | Low | 66.5 | Low | 105 Ų | 105 | 64.8 Ų | 64.8 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 174 | 173.8 | -94.4 | 0 | 0 | 0 | 111.8 | L17 I18 N23 S24 R25 | L17-F21 WeakPolarHBondContact O-CB 3.45Å; L17-F21 PolarHBondContact O-N 3.27Å; I18-F21 PolarHBondContact O-N 2.93Å; F21-N23 VanDerWaalsContact C-N 3.31Å; F21-N23 PolarHBondContact O-N 3.11Å; F21-S24 PolarHBondContact O-N 3.44Å; F21-S24 PolarHBondContact O-OG 3.36Å; F21-R25 HydrophobicContact CE1-CG 4.37Å; F21-R25 HydrophobicContact CE2-CG 4.19Å; F21-R25 HydrophobicContact CZ-CG 4.08Å; F21-R25 PolarHBondContact O-N 2.63Å; F21-R25 VanDerWaalsContact O-N 3.09Å |
| 22 | L | 66.1 | Low | 66.9 | Low | 20 Ų | 20 | 62.9 Ų | 62.9 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.5 | -69.1 | 172.5 | 0 | 0 | 0 | 111.5 | I18 L19 R25 K26 L27 M31 L34 | I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 HydrophobicContact CG2-CG 4.25Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 VanDerWaalsContact O-CG 3.26Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 3.09Å; L19-L22 PolarHBondContact O-N 3.01Å; L22-R25 PolarHBondContact O-N 3.3Å; L22-K26 PolarHBondContact O-N 3.31Å; L22-L27 HydrophobicContact CB-CB 4.35Å; L22-L27 HydrophobicContact CD2-CB 3.84Å; L22-L27 HydrophobicContact CD2-CD1 3.84Å; L22-L27 PolarHBondContact O-N 2.88Å; L22-M31 HydrophobicContact CB-CB 4.1Å; L22-M31 HydrophobicContact CD1-CB 4.49Å; L22-L34 HydrophobicContact CD1-CD2 4.13Å |
| 23 | N | 69.8 | Low | 67.2 | Low | 63 Ų | 63 | 63.9 Ų | 63.9 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 175.3 | -164.4 | 32.2 | 0 | 0 | 0 | 111.8 | L19 D20 F21 R25 K26 H28 M31 | L19-N23 VanDerWaalsContact O-CB 3.31Å; L19-N23 WeakPolarHBondContact O-CB 3.42Å; L19-N23 PolarHBondContact O-N 3.49Å; D20-N23 PolarHBondContact O-N 3.39Å; F21-N23 VanDerWaalsContact C-N 3.31Å; F21-N23 PolarHBondContact O-N 3.11Å; N23-R25 PolarHBondContact O-N 2.6Å; N23-K26 PolarHBondContact O-N 3.49Å; N23-H28 PolarHBondContact OD1-CE1 3.01Å; N23-M31 HydrophobicContact CB-SD 3.78Å |
| 24 | S | 67.4 | Low | 67.6 | Low | 87 Ų | 87 | 61.7 Ų | 61.7 | 61% | 0.608 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.7 | -30.2 | 178.3 | 76.1 | 0 | 0 | 0 | 0 | 113.4 | D20 F21 | D20-S24 WeakPolarHBondContact O-CB 3.22Å; D20-S24 PolarHBondContact O-N 3.21Å; F21-S24 PolarHBondContact O-N 3.44Å; F21-S24 PolarHBondContact O-OG 3.36Å |
| 25 | R | 67.9 | Low | 68.1 | Low | 129 Ų | 129 | 58.9 Ų | 58.9 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 6.2 | 176.6 | -63.5 | -67.3 | -176.5 | 154.3 | -1 | 113.7 | F21 L22 N23 L27 | F21-R25 HydrophobicContact CE1-CG 4.37Å; F21-R25 HydrophobicContact CE2-CG 4.19Å; F21-R25 HydrophobicContact CZ-CG 4.08Å; F21-R25 PolarHBondContact O-N 2.63Å; F21-R25 VanDerWaalsContact O-N 3.09Å; L22-R25 PolarHBondContact O-N 3.3Å; N23-R25 PolarHBondContact O-N 2.6Å; R25-L27 HydrophobicContact CB-CD1 3.95Å; R25-L27 HydrophobicContact CB-CG 3.92Å; R25-L27 PolarHBondContact O-N 3.07Å |
| 26 | K | 67.6 | Low | 68.4 | Low | 130 Ų | 130 | 61.1 Ų | 61.1 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 25.2 | -176 | -56.5 | -169.4 | 177.3 | -166.6 | 0 | 115.1 | L22 N23 H28 | L22-K26 PolarHBondContact O-N 3.31Å; N23-K26 PolarHBondContact O-N 3.49Å; K26-H28 WeakPolarHBondContact CA-NE2 3.16Å; K26-H28 PolarHBondContact O-CD2 2.99Å; K26-H28 PolarHBondContact O-N 2.93Å |
| 27 | L | 68.3 | Low | 68.5 | Low | 82 Ų | 82 | 62.5 Ų | 62.5 | 43% | 0.429 | 32% | 0.321 | S | S | . | . | trans | -83.2 | 50.3 | -179.3 | -62.3 | 176.9 | 0 | 0 | 0 | 111.3 | L22 R25 I29 S30 M31 | L22-L27 HydrophobicContact CB-CB 4.35Å; L22-L27 HydrophobicContact CD2-CB 3.84Å; L22-L27 HydrophobicContact CD2-CD1 3.84Å; L22-L27 PolarHBondContact O-N 2.88Å; R25-L27 HydrophobicContact CB-CD1 3.95Å; R25-L27 HydrophobicContact CB-CG 3.92Å; R25-L27 PolarHBondContact O-N 3.07Å; L27-I29 VanDerWaalsContact C-N 3.29Å; L27-I29 PolarHBondContact O-N 3.39Å; L27-S30 PolarHBondContact O-N 2.99Å; L27-S30 VanDerWaalsContact O-N 3.11Å; L27-M31 PolarHBondContact O-N 3.01Å | ||
| 28 | H | 71.3 | Confident | 68.7 | Low | 7 Ų | 7 | 60.2 Ų | 60.2 | 3% | 0.032 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -28.6 | -165.8 | -50.5 | -75.8 | 0 | 0 | 0 | 113.7 | N23 K26 M31 L32 V162 | N23-H28 PolarHBondContact OD1-CE1 3.01Å; K26-H28 WeakPolarHBondContact CA-NE2 3.16Å; K26-H28 PolarHBondContact O-CD2 2.99Å; K26-H28 PolarHBondContact O-N 2.93Å; H28-M31 HydrophobicContact CB-CE 4.36Å; H28-M31 WeakPolarHBondContact O-CB 3.3Å; H28-M31 PolarHBondContact O-N 3.26Å; H28-L32 WeakPolarHBondContact O-CB 3.48Å; H28-L32 VanDerWaalsContact O-CD1 3.29Å; H28-L32 WeakPolarHBondContact O-CD1 3.41Å; H28-L32 PolarHBondContact O-N 2.98Å; H28-V162 HydrophobicContact CB-CB 4.36Å; H28-V162 HydrophobicContact CB-CG1 4.22Å; H28-V162 HydrophobicContact CB-CG2 3.79Å |
| 29 | I | 69.4 | Low | 68.8 | Low | 110 Ų | 110 | 59.1 Ų | 59.1 | 56% | 0.564 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.3 | -47.3 | 174.6 | -60 | 173.6 | 0 | 0 | 0 | 110.4 | L27 M31 L32 A33 | L27-I29 VanDerWaalsContact C-N 3.29Å; L27-I29 PolarHBondContact O-N 3.39Å; I29-M31 VanDerWaalsContact C-N 3.32Å; I29-L32 PolarHBondContact O-N 3.18Å; I29-A33 PolarHBondContact O-N 2.88Å |
| 30 | S | 71.4 | Confident | 68.8 | Low | 61 Ų | 61 | 60 Ų | 60 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.8 | -35 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | L27 L34 | L27-S30 PolarHBondContact O-N 2.99Å; L27-S30 VanDerWaalsContact O-N 3.11Å; S30-L34 WeakPolarHBondContact O-CB 3.4Å; S30-L34 PolarHBondContact O-N 2.97Å |
| 31 | M | 71.9 | Confident | 69 | Low | 9 Ų | 9 | 59.4 Ų | 59.4 | 4% | 0.044 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -55.4 | 174.2 | -171.4 | -174.5 | 73.8 | 0 | 0 | 110.6 | L19 L22 N23 L27 H28 I29 A33 L34 E35 | L19-M31 HydrophobicContact CD2-CB 4.37Å; L19-M31 HydrophobicContact CD2-CG 3.62Å; L19-M31 WeakPolarHBondContact CD2-O 3.48Å; L22-M31 HydrophobicContact CB-CB 4.1Å; L22-M31 HydrophobicContact CD1-CB 4.49Å; N23-M31 HydrophobicContact CB-SD 3.78Å; L27-M31 PolarHBondContact O-N 3.01Å; H28-M31 HydrophobicContact CB-CE 4.36Å; H28-M31 WeakPolarHBondContact O-CB 3.3Å; H28-M31 PolarHBondContact O-N 3.26Å; I29-M31 VanDerWaalsContact C-N 3.32Å; M31-A33 VanDerWaalsContact C-N 3.29Å; M31-A33 PolarHBondContact O-N 2.9Å; M31-L34 PolarHBondContact O-N 3.47Å; M31-L34 VanDerWaalsContact O-N 3.13Å; M31-E35 WeakPolarHBondContact O-CG 3.45Å; M31-E35 PolarHBondContact O-N 3.32Å |
| 32 | L | 71.3 | Confident | 69 | Low | 31 Ų | 31 | 56.4 Ų | 56.4 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.2 | -40.4 | 177.5 | -93.9 | 56.7 | 0 | 0 | 0 | 112.8 | H28 I29 K36 L57 V162 | H28-L32 WeakPolarHBondContact O-CB 3.48Å; H28-L32 VanDerWaalsContact O-CD1 3.29Å; H28-L32 WeakPolarHBondContact O-CD1 3.41Å; H28-L32 PolarHBondContact O-N 2.98Å; I29-L32 PolarHBondContact O-N 3.18Å; L32-K36 WeakPolarHBondContact O-CB 3.5Å; L32-K36 WeakPolarHBondContact O-CG 3.39Å; L32-K36 PolarHBondContact O-N 3.49Å; L32-L57 HydrophobicContact CD1-CD1 4.26Å; L32-L57 HydrophobicContact CD2-CB 4.46Å; L32-L57 HydrophobicContact CD2-CD1 3.72Å; L32-L57 HydrophobicContact CD2-CD2 3.9Å; L32-L57 HydrophobicContact CD2-CG 4.22Å; L32-L57 HydrophobicContact CG-CD1 4Å; L32-V162 HydrophobicContact CD1-CG2 4.46Å |
| 33 | A | 69.1 | Low | 68.9 | Low | 50 Ų | 50 | 57.3 Ų | 57.3 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I29 M31 E35 K36 E37 | I29-A33 PolarHBondContact O-N 2.88Å; M31-A33 VanDerWaalsContact C-N 3.29Å; M31-A33 PolarHBondContact O-N 2.9Å; A33-E35 PolarHBondContact O-N 3.04Å; A33-K36 PolarHBondContact O-N 2.98Å; A33-E37 PolarHBondContact O-N 3.12Å |
| 34 | L | 69.2 | Low | 68.8 | Low | 37 Ų | 37 | 59.7 Ų | 59.7 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 178.2 | 179.8 | 58.7 | 0 | 0 | 0 | 112.4 | I15 I18 L19 L22 S30 M31 E37 S38 | I15-L34 HydrophobicContact CG2-CD1 4.27Å; I15-L34 HydrophobicContact CG2-CD2 4.33Å; I15-L34 HydrophobicContact CG2-CG 4.13Å; I18-L34 HydrophobicContact CB-CD2 3.96Å; I18-L34 HydrophobicContact CG2-CD2 3.47Å; I18-L34 VanDerWaalsContact CG2-CD2 3.47Å; L19-L34 HydrophobicContact CD2-CB 3.96Å; L19-L34 HydrophobicContact CD2-CD2 3.82Å; L19-L34 HydrophobicContact CD2-CG 3.93Å; L19-L34 HydrophobicContact CG-CD2 3.94Å; L19-L34 HydrophobicContact CG-CG 4.31Å; L22-L34 HydrophobicContact CD1-CD2 4.13Å; S30-L34 WeakPolarHBondContact O-CB 3.4Å; S30-L34 PolarHBondContact O-N 2.97Å; M31-L34 PolarHBondContact O-N 3.47Å; M31-L34 VanDerWaalsContact O-N 3.13Å; L34-E37 PolarHBondContact O-N 3.17Å; L34-S38 VanDerWaalsContact O-CB 3.28Å; L34-S38 WeakPolarHBondContact O-CB 3.41Å; L34-S38 PolarHBondContact O-N 3.41Å; L34-S38 PolarHBondContact O-OG 3.34Å |
| 35 | E | 74.5 | Confident | 68.9 | Low | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 172.7 | -65.7 | -179.8 | 142.9 | 0 | 0 | 111.6 | L19 M31 A33 G39 V40 I41 N42 R53 | L19-E35 HydrophobicContact CD1-CG 4.07Å; L19-E35 HydrophobicContact CD2-CG 3.63Å; M31-E35 WeakPolarHBondContact O-CG 3.45Å; M31-E35 PolarHBondContact O-N 3.32Å; A33-E35 PolarHBondContact O-N 3.04Å; E35-G39 WeakPolarHBondContact O-CA 3.31Å; E35-G39 PolarHBondContact O-N 3.2Å; E35-V40 WeakPolarHBondContact CA-O 3.44Å; E35-V40 WeakPolarHBondContact CG-O 3.49Å; E35-I41 WeakPolarHBondContact OE1-CG2 3.36Å; E35-N42 PolarHBondContact OE1-N 2.89Å; E35-R53 VanDerWaalsContact CD-NH2 3.31Å; E35-R53 IonicContact OE1-CZ 3.66Å; E35-R53 IonicContact OE1-NH1 3.92Å; E35-R53 IonicContact OE1-NH2 3.41Å; E35-R53 PolarHBondContact OE1-NH2 2.88Å; E35-R53 IonicContact OE2-CZ 3.97Å; E35-R53 IonicContact OE2-NH1 3.34Å; E35-R53 PolarHBondContact OE2-NH1 3.5Å; E35-R53 IonicContact OE2-NH2 3.14Å; E35-R53 PolarHBondContact OE2-NH2 2.94Å |
| 36 | K | 70.2 | Confident | 69 | Low | 66 Ų | 66 | 52.5 Ų | 52.5 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -75 | -21.4 | -178.8 | -75 | 176.5 | 160.8 | -167 | 0 | 114.2 | L32 A33 L283 | L32-K36 WeakPolarHBondContact O-CB 3.5Å; L32-K36 WeakPolarHBondContact O-CG 3.39Å; L32-K36 PolarHBondContact O-N 3.49Å; A33-K36 PolarHBondContact O-N 2.98Å; K36-L283 HydrophobicContact CD-CD1 4.01Å; K36-L283 HydrophobicContact CD-CD2 4.07Å; K36-L283 HydrophobicContact CD-CG 4.47Å |
| 37 | E | 65.5 | Low | 69 | Low | 124 Ų | 124 | 51.9 Ų | 51.9 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -88.5 | -34.7 | 172.5 | -71.5 | -165.6 | 145.4 | 0 | 0 | 113.6 | A33 L34 | A33-E37 PolarHBondContact O-N 3.12Å; L34-E37 PolarHBondContact O-N 3.17Å |
| 38 | S | 65.8 | Low | 69.3 | Low | 10 Ų | 10 | 48.3 Ų | 48.3 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -89.3 | -30.3 | -178.6 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | L34 V40 L272 | L34-S38 VanDerWaalsContact O-CB 3.28Å; L34-S38 WeakPolarHBondContact O-CB 3.41Å; L34-S38 PolarHBondContact O-N 3.41Å; L34-S38 PolarHBondContact O-OG 3.34Å; S38-V40 PolarHBondContact OG-N 3.3Å; S38-L272 WeakPolarHBondContact O-CD2 3.41Å |
| 39 | G | 66.8 | Low | 69.6 | Low | 47 Ų | 47 | 48.2 Ų | 48.2 | 49% | 0.485 | 28% | 0.279 | S | S | . | . | trans | 75.4 | 4.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E35 | E35-G39 WeakPolarHBondContact O-CA 3.31Å; E35-G39 PolarHBondContact O-N 3.2Å | ||
| 40 | V | 67.6 | Low | 69.9 | Low | 17 Ų | 17 | 45.3 Ų | 45.3 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | trans | -96.3 | 113.9 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | A12 I15 K16 L19 E35 S38 L272 | A12-V40 HydrophobicContact CB-CG2 4.19Å; I15-V40 HydrophobicContact CG2-CB 3.89Å; I15-V40 HydrophobicContact CG2-CG1 4.19Å; I15-V40 HydrophobicContact CG2-CG2 4.31Å; K16-V40 HydrophobicContact CD-CG1 4.47Å; K16-V40 HydrophobicContact CG-CG1 3.69Å; L19-V40 HydrophobicContact CD1-CG1 4.31Å; L19-V40 VanDerWaalsContact CD1-O 3.28Å; L19-V40 WeakPolarHBondContact CD1-O 3.33Å; E35-V40 WeakPolarHBondContact CA-O 3.44Å; E35-V40 WeakPolarHBondContact CG-O 3.49Å; S38-V40 PolarHBondContact OG-N 3.3Å; V40-L272 HydrophobicContact CG2-CD2 3.6Å | ||
| 41 | I | 70.9 | Confident | 70.2 | Confident | 56 Ų | 56 | 46.4 Ų | 46.4 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | trans | -99.8 | 141.2 | -178.5 | -57.6 | -179.6 | 0 | 0 | 0 | 109.6 | E35 G43 F45 L50 | E35-I41 WeakPolarHBondContact OE1-CG2 3.36Å; I41-G43 PolarHBondContact O-N 3.06Å; I41-G43 VanDerWaalsContact O-N 3.08Å; I41-F45 HydrophobicContact CG2-CD2 4.02Å; I41-F45 HydrophobicContact CG2-CE2 4.15Å; I41-L50 HydrophobicContact CD1-CD1 3.83Å; I41-L50 HydrophobicContact CD1-CD2 3.59Å; I41-L50 HydrophobicContact CD1-CG 4.34Å; I41-L50 HydrophobicContact CG2-CD2 4.11Å | ||
| 42 | N | 66.5 | Low | 70.6 | Confident | 42 Ų | 42 | 46 Ų | 46 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -83.8 | 82 | 176.9 | -162.2 | -2.9 | 0 | 0 | 0 | 111.8 | L19 D20 E35 | L19-N42 HydrophobicContact CB-CB 4.01Å; L19-N42 HydrophobicContact CD1-CB 4.36Å; D20-N42 PolarHBondContact OD1-ND2 3.23Å; D20-N42 PolarHBondContact OD1-OD1 2.9Å; E35-N42 PolarHBondContact OE1-N 2.89Å |
| 43 | G | 65.3 | Low | 71.2 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | S | Bend | trans | 160.5 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I41 | I41-G43 PolarHBondContact O-N 3.06Å; I41-G43 VanDerWaalsContact O-N 3.08Å |
| 44 | L | 66.1 | Low | 71.7 | Confident | 114 Ų | 114 | 46.1 Ų | 46.1 | 60% | 0.597 | 25% | 0.25 | S | C | * | . | trans | -109.4 | 93.3 | 168.7 | -68 | 177.3 | 0 | 0 | 0 | 108.1 | A178 | L44-A178 WeakPolarHBondContact O-CB 3.37Š| ||
| 45 | F | 71.3 | Confident | 72.2 | Confident | 52 Ų | 52 | 44.6 Ų | 44.6 | 23% | 0.228 | 24% | 0.242 | C | C | . | . | trans | -117.4 | 149.6 | -179.3 | -55.6 | -63.8 | 0 | 0 | 0 | 109.5 | I41 M49 L50 F165 | I41-F45 HydrophobicContact CG2-CD2 4.02Å; I41-F45 HydrophobicContact CG2-CE2 4.15Å; F45-M49 HydrophobicContact CB-CB 4.2Å; F45-M49 HydrophobicContact CB-CG 4.12Å; F45-M49 HydrophobicContact CD1-CG 3.73Å; F45-M49 HydrophobicContact CG-CG 4.26Å; F45-L50 HydrophobicContact CB-CD2 3.64Å; F45-L50 HydrophobicContact CB-CG 3.83Å; F45-L50 HydrophobicContact CD2-CD2 3.77Å; F45-L50 HydrophobicContact CG-CD2 4.05Å; F45-F165 HydrophobicContact CE1-CE1 4.26Å; F45-F165 HydrophobicContact CE1-CZ 4.15Å; F45-F165 HydrophobicContact CZ-CE1 4.17Å; F45-F165 HydrophobicContact CZ-CZ 4.43Å | ||
| 46 | S | 69.9 | Low | 72.7 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | trans | -81.7 | 163.9 | 166.8 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | D48 M49 L50 I176 | S46-D48 VanDerWaalsContact C-N 3.25Å; S46-D48 PolarHBondContact O-N 3.34Å; S46-M49 PolarHBondContact O-N 2.88Å; S46-M49 PolarHBondContact OG-N 2.92Å; S46-L50 WeakPolarHBondContact O-CG 3.35Å; S46-L50 PolarHBondContact O-N 2.85Å; S46-I176 WeakPolarHBondContact OG-CG2 3.32Å | ||
| 47 | D | 67.1 | Low | 73.3 | Confident | 117 Ų | 117 | 42 Ų | 42 | 63% | 0.626 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -51.1 | -43.8 | 175.7 | -64.8 | -8.4 | 0 | 0 | 0 | 112.4 | M49 L50 F51 | D47-M49 PolarHBondContact O-N 3.39Å; D47-L50 PolarHBondContact O-N 3.47Å; D47-F51 WeakPolarHBondContact O-CB 3.45Å; D47-F51 PolarHBondContact O-N 3Å |
| 48 | D | 73.8 | Confident | 73.7 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 178.2 | -67.6 | -46.3 | 0 | 0 | 0 | 112.3 | S46 F51 L52 F67 I176 S312 | S46-D48 VanDerWaalsContact C-N 3.25Å; S46-D48 PolarHBondContact O-N 3.34Å; D48-F51 PolarHBondContact O-N 3Å; D48-L52 PolarHBondContact O-N 2.94Å; D48-F67 HydrophobicContact CB-CZ 4.12Å; D48-I176 HydrophobicContact CB-CD1 4.31Å; D48-I176 HydrophobicContact CB-CG2 3.86Å; D48-S312 VanDerWaalsContact OD2-CB 3.28Å; D48-S312 WeakPolarHBondContact OD2-CB 3.13Å; D48-S312 PolarHBondContact OD2-OG 2.81Å |
| 49 | M | 77.7 | Confident | 74.4 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.2 | -34 | 175.9 | -175.1 | 64.9 | 76 | 0 | 0 | 111.8 | F45 S46 D47 L52 R53 F165 C169 V172 A173 I176 | F45-M49 HydrophobicContact CB-CB 4.2Å; F45-M49 HydrophobicContact CB-CG 4.12Å; F45-M49 HydrophobicContact CD1-CG 3.73Å; F45-M49 HydrophobicContact CG-CG 4.26Å; S46-M49 PolarHBondContact O-N 2.88Å; S46-M49 PolarHBondContact OG-N 2.92Å; D47-M49 PolarHBondContact O-N 3.39Å; M49-L52 HydrophobicContact SD-CD2 4.03Å; M49-R53 WeakPolarHBondContact O-CB 3.18Å; M49-R53 PolarHBondContact O-N 3.33Å; M49-F165 HydrophobicContact CG-CZ 4.32Å; M49-F165 HydrophobicContact SD-CE2 4.02Å; M49-F165 HydrophobicContact SD-CZ 4.22Å; M49-C169 HydrophobicContact SD-CB 4.3Å; M49-V172 HydrophobicContact CE-CB 4.11Å; M49-V172 HydrophobicContact CE-CG1 3.88Å; M49-A173 HydrophobicContact CE-CB 4.22Å; M49-I176 HydrophobicContact CB-CG2 4.41Å; M49-I176 HydrophobicContact CE-CB 4.33Å |
| 50 | L | 75.1 | Confident | 75.1 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.3 | -35.2 | 172.4 | -68.5 | 178.8 | 0 | 0 | 0 | 112.1 | I41 F45 S46 D47 R53 Q54 | I41-L50 HydrophobicContact CD1-CD1 3.83Å; I41-L50 HydrophobicContact CD1-CD2 3.59Å; I41-L50 HydrophobicContact CD1-CG 4.34Å; I41-L50 HydrophobicContact CG2-CD2 4.11Å; F45-L50 HydrophobicContact CB-CD2 3.64Å; F45-L50 HydrophobicContact CB-CG 3.83Å; F45-L50 HydrophobicContact CD2-CD2 3.77Å; F45-L50 HydrophobicContact CG-CD2 4.05Å; S46-L50 WeakPolarHBondContact O-CG 3.35Å; S46-L50 PolarHBondContact O-N 2.85Å; D47-L50 PolarHBondContact O-N 3.47Å; L50-R53 WeakPolarHBondContact O-CB 3.3Å; L50-R53 PolarHBondContact O-N 3.32Å; L50-Q54 PolarHBondContact O-N 2.95Å |
| 51 | F | 77.9 | Confident | 76 | Confident | 84 Ų | 84 | 40.2 Ų | 40.2 | 37% | 0.368 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.4 | -46.8 | 173.5 | -175.1 | -108.2 | 0 | 0 | 0 | 111.6 | D47 D48 R53 Q54 L55 F67 | D47-F51 WeakPolarHBondContact O-CB 3.45Å; D47-F51 PolarHBondContact O-N 3Å; D48-F51 PolarHBondContact O-N 3Å; F51-R53 VanDerWaalsContact C-N 3.28Å; F51-R53 PolarHBondContact O-N 3.12Å; F51-Q54 PolarHBondContact O-N 3.39Å; F51-Q54 VanDerWaalsContact O-N 3.13Å; F51-L55 HydrophobicContact CD1-CD1 4.05Å; F51-L55 HydrophobicContact CD1-CG 4.47Å; F51-L55 HydrophobicContact CE1-CD1 3.59Å; F51-L55 HydrophobicContact CE1-CG 4.13Å; F51-L55 HydrophobicContact CZ-CD1 4.03Å; F51-L55 HydrophobicContact CZ-CD2 4.13Å; F51-L55 HydrophobicContact CZ-CG 4.17Å; F51-L55 PolarHBondContact O-N 3.07Å; F51-F67 AromaticContact CD1-CD2 3.69Å; F51-F67 HydrophobicContact CD1-CD2 3.69Å; F51-F67 AromaticContact CD1-CE2 3.55Å; F51-F67 HydrophobicContact CD1-CE2 3.55Å; F51-F67 HydrophobicContact CD1-CG 4.28Å; F51-F67 HydrophobicContact CD1-CZ 4.03Å; F51-F67 AromaticContact CE1-CD2 3.72Å; F51-F67 HydrophobicContact CE1-CD2 3.72Å; F51-F67 HydrophobicContact CE1-CE2 4Å; F51-F67 HydrophobicContact CE1-CG 4.35Å |
| 52 | L | 80.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.4 | -43.1 | 171.4 | 176.6 | 62.2 | 0 | 0 | 0 | 112.1 | D48 M49 L55 I56 V64 F67 I68 V172 | D48-L52 PolarHBondContact O-N 2.94Å; M49-L52 HydrophobicContact SD-CD2 4.03Å; L52-L55 PolarHBondContact O-N 2.92Å; L52-I56 HydrophobicContact CD1-CD1 3.91Å; L52-I56 HydrophobicContact CD1-CG1 4.39Å; L52-I56 HydrophobicContact CG-CD1 4.16Å; L52-I56 WeakPolarHBondContact O-CG1 3.25Å; L52-I56 PolarHBondContact O-N 3.39Å; L52-I56 VanDerWaalsContact O-N 3.15Å; L52-V64 HydrophobicContact CD1-CG1 3.88Å; L52-F67 HydrophobicContact CB-CD1 4.26Å; L52-F67 HydrophobicContact CB-CE1 3.97Å; L52-F67 HydrophobicContact CD1-CD1 4.2Å; L52-I68 HydrophobicContact CD1-CD1 4.13Å; L52-I68 HydrophobicContact CD1-CG1 4.13Å; L52-I68 HydrophobicContact CD2-CD1 4.08Å; L52-V172 HydrophobicContact CD2-CB 4.26Å; L52-V172 HydrophobicContact CD2-CG1 4.03Å; L52-V172 HydrophobicContact CD2-CG2 4.16Å |
| 53 | R | 83.9 | Confident | 77.4 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 11% | 0.106 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.8 | -48.8 | 174.9 | -169.9 | 175.3 | -175.4 | -109.2 | 12.8 | 111.1 | E35 M49 L50 F51 I56 L57 F165 | E35-R53 VanDerWaalsContact CD-NH2 3.31Å; E35-R53 IonicContact OE1-CZ 3.66Å; E35-R53 IonicContact OE1-NH1 3.92Å; E35-R53 IonicContact OE1-NH2 3.41Å; E35-R53 PolarHBondContact OE1-NH2 2.88Å; E35-R53 IonicContact OE2-CZ 3.97Å; E35-R53 IonicContact OE2-NH1 3.34Å; E35-R53 PolarHBondContact OE2-NH1 3.5Å; E35-R53 IonicContact OE2-NH2 3.14Å; E35-R53 PolarHBondContact OE2-NH2 2.94Å; M49-R53 WeakPolarHBondContact O-CB 3.18Å; M49-R53 PolarHBondContact O-N 3.33Å; L50-R53 WeakPolarHBondContact O-CB 3.3Å; L50-R53 PolarHBondContact O-N 3.32Å; F51-R53 VanDerWaalsContact C-N 3.28Å; F51-R53 PolarHBondContact O-N 3.12Å; R53-I56 PolarHBondContact O-N 3.15Å; R53-L57 HydrophobicContact CG-CD1 3.75Å; R53-L57 HydrophobicContact CG-CG 4.44Å; R53-L57 WeakPolarHBondContact O-CB 3.33Å; R53-L57 WeakPolarHBondContact O-CG 3.41Å; R53-L57 PolarHBondContact O-N 2.95Å; R53-F165 HydrophobicContact CB-CD2 3.79Å; R53-F165 HydrophobicContact CB-CE1 4.29Å; R53-F165 HydrophobicContact CB-CE2 3.42Å; R53-F165 VanDerWaalsContact CB-CE2 3.42Å; R53-F165 HydrophobicContact CB-CG 4.37Å; R53-F165 HydrophobicContact CB-CZ 3.7Å; R53-F165 HydrophobicContact CG-CD1 3.9Å; R53-F165 HydrophobicContact CG-CD2 3.9Å; R53-F165 HydrophobicContact CG-CE1 3.77Å; R53-F165 HydrophobicContact CG-CE2 3.79Å; R53-F165 HydrophobicContact CG-CG 3.96Å; R53-F165 HydrophobicContact CG-CZ 3.72Å |
| 54 | Q | 79.5 | Confident | 78.4 | Confident | 56 Ų | 56 | 41.8 Ų | 41.8 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | -179.6 | -173.2 | 60.3 | 23 | 0 | 0 | 112 | L50 F51 I56 L57 D58 | L50-Q54 PolarHBondContact O-N 2.95Å; F51-Q54 PolarHBondContact O-N 3.39Å; F51-Q54 VanDerWaalsContact O-N 3.13Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-I56 PolarHBondContact O-N 3.46Å; Q54-L57 PolarHBondContact O-N 3.4Å; Q54-D58 PolarHBondContact NE2-OD1 3.04Å; Q54-D58 PolarHBondContact NE2-OD2 3.27Å; Q54-D58 WeakPolarHBondContact O-CB 3.07Å; Q54-D58 VanDerWaalsContact O-CG 3.31Å; Q54-D58 PolarHBondContact O-N 2.9Å |
| 55 | L | 80.7 | Confident | 79.3 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -40.4 | 177.8 | -68 | 178.2 | 0 | 0 | 0 | 113.1 | F51 L52 G59 Q60 E63 V64 F67 | F51-L55 HydrophobicContact CD1-CD1 4.05Å; F51-L55 HydrophobicContact CD1-CG 4.47Å; F51-L55 HydrophobicContact CE1-CD1 3.59Å; F51-L55 HydrophobicContact CE1-CG 4.13Å; F51-L55 HydrophobicContact CZ-CD1 4.03Å; F51-L55 HydrophobicContact CZ-CD2 4.13Å; F51-L55 HydrophobicContact CZ-CG 4.17Å; F51-L55 PolarHBondContact O-N 3.07Å; L52-L55 PolarHBondContact O-N 2.92Å; L55-G59 PolarHBondContact O-N 3.04Å; L55-Q60 HydrophobicContact CD2-CB 4.19Å; L55-Q60 PolarHBondContact O-N 3.34Å; L55-E63 HydrophobicContact CD1-CB 4.4Å; L55-E63 HydrophobicContact CD2-CB 4.15Å; L55-V64 HydrophobicContact CB-CG2 3.6Å; L55-F67 HydrophobicContact CD1-CB 4.12Å; L55-F67 HydrophobicContact CD1-CG 4.46Å |
| 56 | I | 84.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.2 | -39 | 177 | -70.7 | 173.2 | 0 | 0 | 0 | 111.4 | L52 R53 Q54 G59 W61 V64 I86 R161 C164 F165 A168 | L52-I56 HydrophobicContact CD1-CD1 3.91Å; L52-I56 HydrophobicContact CD1-CG1 4.39Å; L52-I56 HydrophobicContact CG-CD1 4.16Å; L52-I56 WeakPolarHBondContact O-CG1 3.25Å; L52-I56 PolarHBondContact O-N 3.39Å; L52-I56 VanDerWaalsContact O-N 3.15Å; R53-I56 PolarHBondContact O-N 3.15Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-I56 PolarHBondContact O-N 3.46Å; I56-G59 PolarHBondContact O-N 2.91Å; I56-W61 HydrophobicContact CB-CZ3 4.49Å; I56-W61 HydrophobicContact CG1-CZ3 4.42Å; I56-W61 HydrophobicContact CG2-CH2 4.2Å; I56-W61 HydrophobicContact CG2-CZ3 3.99Å; I56-V64 HydrophobicContact CD1-CG1 4.23Å; I56-V64 HydrophobicContact CG1-CB 4.49Å; I56-V64 HydrophobicContact CG1-CG1 3.98Å; I56-V64 HydrophobicContact CG1-CG2 3.64Å; I56-I86 HydrophobicContact CD1-CD1 4.25Å; I56-I86 HydrophobicContact CG1-CD1 4.47Å; I56-R161 WeakPolarHBondContact CG2-O 3.38Å; I56-R161 WeakPolarHBondContact O-CG 3.27Å; I56-C164 HydrophobicContact CG2-CB 4.17Å; I56-F165 HydrophobicContact CD1-CD2 4.32Å; I56-F165 HydrophobicContact CG2-CB 3.99Å; I56-A168 HydrophobicContact CD1-CB 3.92Å |
| 57 | L | 82.4 | Confident | 80.5 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.2 | -32.2 | 180 | -67.9 | 174.2 | 0 | 0 | 0 | 113 | L32 R53 Q54 R161 V162 | L32-L57 HydrophobicContact CD1-CD1 4.26Å; L32-L57 HydrophobicContact CD2-CB 4.46Å; L32-L57 HydrophobicContact CD2-CD1 3.72Å; L32-L57 HydrophobicContact CD2-CD2 3.9Å; L32-L57 HydrophobicContact CD2-CG 4.22Å; L32-L57 HydrophobicContact CG-CD1 4Å; R53-L57 HydrophobicContact CG-CD1 3.75Å; R53-L57 HydrophobicContact CG-CG 4.44Å; R53-L57 WeakPolarHBondContact O-CB 3.33Å; R53-L57 WeakPolarHBondContact O-CG 3.41Å; R53-L57 PolarHBondContact O-N 2.95Å; Q54-L57 PolarHBondContact O-N 3.4Å; L57-R161 HydrophobicContact CD2-CB 4.22Å; L57-R161 VanDerWaalsContact O-CD 3.29Å; L57-R161 WeakPolarHBondContact O-CD 3.33Å; L57-R161 PolarHBondContact O-NH1 3.14Å; L57-V162 HydrophobicContact CD2-CG2 3.67Å |
| 58 | D | 74.3 | Confident | 81.4 | Confident | 64 Ų | 64 | 35.1 Ų | 35.1 | 34% | 0.342 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -80.9 | -22.1 | 173.6 | -64.6 | -7.7 | 0 | 0 | 0 | 111.6 | Q54 R161 | Q54-D58 PolarHBondContact NE2-OD1 3.04Å; Q54-D58 PolarHBondContact NE2-OD2 3.27Å; Q54-D58 WeakPolarHBondContact O-CB 3.07Å; Q54-D58 VanDerWaalsContact O-CG 3.31Å; Q54-D58 PolarHBondContact O-N 2.9Å; D58-R161 PolarHBondContact O-NH1 2.91Å |
| 59 | G | 80 | Confident | 81.8 | Confident | 16 Ų | 16 | 40.4 Ų | 40.4 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 26.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | L55 I56 W61 | L55-G59 PolarHBondContact O-N 3.04Å; I56-G59 PolarHBondContact O-N 2.91Å; G59-W61 PolarHBondContact O-N 2.99Å |
| 60 | Q | 81.8 | Confident | 81.9 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | trans | -79.1 | 60.9 | 176.4 | -66.7 | 169.7 | -86.3 | 0 | 0 | 109.6 | L55 D62 E63 V64 | L55-Q60 HydrophobicContact CD2-CB 4.19Å; L55-Q60 PolarHBondContact O-N 3.34Å; Q60-D62 VanDerWaalsContact C-N 3.25Å; Q60-D62 PolarHBondContact O-N 2.63Å; Q60-D62 VanDerWaalsContact O-N 3.13Å; Q60-E63 HydrophobicContact CB-CB 3.99Å; Q60-E63 HydrophobicContact CB-CG 4.2Å; Q60-E63 PolarHBondContact NE2-OE1 2.81Å; Q60-E63 PolarHBondContact NE2-OE2 3.2Å; Q60-E63 WeakPolarHBondContact O-CA 3.5Å; Q60-E63 WeakPolarHBondContact O-CB 3.44Å; Q60-E63 PolarHBondContact O-N 2.89Å; Q60-V64 PolarHBondContact O-N 3.34Å | ||
| 61 | W | 86.9 | Confident | 82.1 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.9 | -36.1 | -168.1 | -59.9 | 117.5 | 0 | 0 | 0 | 113.8 | I56 G59 L65 I86 Q89 K90 E93 R161 C164 | I56-W61 HydrophobicContact CB-CZ3 4.49Å; I56-W61 HydrophobicContact CG1-CZ3 4.42Å; I56-W61 HydrophobicContact CG2-CH2 4.2Å; I56-W61 HydrophobicContact CG2-CZ3 3.99Å; G59-W61 PolarHBondContact O-N 2.99Å; W61-L65 WeakPolarHBondContact O-CG 3.36Å; W61-L65 PolarHBondContact O-N 2.87Å; W61-I86 HydrophobicContact CB-CG2 4.33Å; W61-I86 HydrophobicContact CE3-CD1 4.37Å; W61-I86 HydrophobicContact CE3-CG2 3.95Å; W61-I86 HydrophobicContact CZ3-CD1 4.22Å; W61-Q89 HydrophobicContact CH2-CB 3.72Å; W61-Q89 HydrophobicContact CH2-CG 4.36Å; W61-Q89 HydrophobicContact CZ2-CB 3.79Å; W61-Q89 HydrophobicContact CZ3-CB 4.29Å; W61-K90 HydrophobicContact CB-CB 4.18Å; W61-K90 HydrophobicContact CB-CD 4.06Å; W61-K90 HydrophobicContact CB-CG 4.12Å; W61-K90 HydrophobicContact CG-CB 3.97Å; W61-K90 HydrophobicContact CG-CG 4.13Å; W61-E93 PolarHBondContact NE1-OE2 3.29Å; W61-R161 HydrophobicContact CH2-CG 3.98Å; W61-R161 HydrophobicContact CZ2-CG 3.94Å; W61-C164 HydrophobicContact CH2-CB 4.43Å |
| 62 | D | 84 | Confident | 82 | Confident | 80 Ų | 80 | 37.4 Ų | 37.4 | 43% | 0.428 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -76.6 | -22.7 | 177.2 | -61.3 | -49.3 | 0 | 0 | 0 | 113.3 | Q60 Q66 K90 | Q60-D62 VanDerWaalsContact C-N 3.25Å; Q60-D62 PolarHBondContact O-N 2.63Å; Q60-D62 VanDerWaalsContact O-N 3.13Å; D62-Q66 WeakPolarHBondContact O-CG 3.47Å; D62-Q66 PolarHBondContact O-N 2.88Å; D62-Q66 PolarHBondContact O-NE2 3.01Å; D62-K90 IonicContact OD1-NZ 2.68Å; D62-K90 PolarHBondContact OD1-NZ 3.04Å; D62-K90 IonicContact OD2-NZ 3.61Å; D62-K90 PolarHBondContact OD2-NZ 2.98Å |
| 63 | E | 83.9 | Confident | 81.7 | Confident | 89 Ų | 89 | 42.6 Ų | 42.6 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -81.2 | -33.9 | 173.1 | -62.6 | 176.5 | -126.5 | 0 | 0 | 111 | L55 Q60 L65 Q66 F67 | L55-E63 HydrophobicContact CD1-CB 4.4Å; L55-E63 HydrophobicContact CD2-CB 4.15Å; Q60-E63 HydrophobicContact CB-CB 3.99Å; Q60-E63 HydrophobicContact CB-CG 4.2Å; Q60-E63 PolarHBondContact NE2-OE1 2.81Å; Q60-E63 PolarHBondContact NE2-OE2 3.2Å; Q60-E63 WeakPolarHBondContact O-CA 3.5Å; Q60-E63 WeakPolarHBondContact O-CB 3.44Å; Q60-E63 PolarHBondContact O-N 2.89Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.39Å; E63-Q66 PolarHBondContact O-N 3.46Å; E63-F67 WeakPolarHBondContact O-CB 3.32Å; E63-F67 PolarHBondContact O-N 2.69Å |
| 64 | V | 85.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.1 | -45.7 | 169.2 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | L52 L55 I56 Q60 F67 I68 F82 I86 | L52-V64 HydrophobicContact CD1-CG1 3.88Å; L55-V64 HydrophobicContact CB-CG2 3.6Å; I56-V64 HydrophobicContact CD1-CG1 4.23Å; I56-V64 HydrophobicContact CG1-CB 4.49Å; I56-V64 HydrophobicContact CG1-CG1 3.98Å; I56-V64 HydrophobicContact CG1-CG2 3.64Å; Q60-V64 PolarHBondContact O-N 3.34Å; V64-F67 PolarHBondContact O-N 2.87Å; V64-I68 WeakPolarHBondContact O-CB 3.43Å; V64-I68 WeakPolarHBondContact O-CG1 3.23Å; V64-I68 PolarHBondContact O-N 3.23Å; V64-I68 VanDerWaalsContact O-N 3.11Å; V64-F82 HydrophobicContact CG1-CE1 4.25Å; V64-F82 HydrophobicContact CG1-CZ 4.26Å; V64-I86 HydrophobicContact CG1-CD1 3.8Å; V64-I86 HydrophobicContact CG1-CG1 4.13Å |
| 65 | L | 85.6 | Confident | 81 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 177.6 | -67.3 | 176.2 | 0 | 0 | 0 | 112.6 | W61 E63 Q69 R83 I86 M87 | W61-L65 WeakPolarHBondContact O-CG 3.36Å; W61-L65 PolarHBondContact O-N 2.87Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.39Å; L65-Q69 PolarHBondContact O-N 3.22Å; L65-R83 HydrophobicContact CD2-CG 4.05Å; L65-I86 HydrophobicContact CD1-CG2 4.38Å; L65-I86 HydrophobicContact CD2-CB 4.17Å; L65-I86 HydrophobicContact CD2-CG1 4.45Å; L65-I86 HydrophobicContact CD2-CG2 3.97Å; L65-I86 HydrophobicContact CG-CG2 3.98Å; L65-M87 HydrophobicContact CD1-SD 4.08Å |
| 66 | Q | 83.9 | Confident | 81 | Confident | 105 Ų | 105 | 59.7 Ų | 59.7 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 174 | -75.7 | 168.6 | 80.3 | 0 | 0 | 112.4 | D62 E63 I68 Q69 | D62-Q66 WeakPolarHBondContact O-CG 3.47Å; D62-Q66 PolarHBondContact O-N 2.88Å; D62-Q66 PolarHBondContact O-NE2 3.01Å; E63-Q66 PolarHBondContact O-N 3.46Å; Q66-I68 VanDerWaalsContact C-N 3.32Å; Q66-I68 PolarHBondContact O-N 3.09Å; Q66-Q69 VanDerWaalsContact O-CB 3.26Å; Q66-Q69 WeakPolarHBondContact O-CB 3.35Å; Q66-Q69 PolarHBondContact O-N 3.33Å |
| 67 | F | 82.3 | Confident | 81 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 179.1 | -179 | -102.6 | 0 | 0 | 0 | 112.5 | D48 F51 L52 L55 E63 V64 P70 I176 M309 | D48-F67 HydrophobicContact CB-CZ 4.12Å; F51-F67 AromaticContact CD1-CD2 3.69Å; F51-F67 HydrophobicContact CD1-CD2 3.69Å; F51-F67 AromaticContact CD1-CE2 3.55Å; F51-F67 HydrophobicContact CD1-CE2 3.55Å; F51-F67 HydrophobicContact CD1-CG 4.28Å; F51-F67 HydrophobicContact CD1-CZ 4.03Å; F51-F67 AromaticContact CE1-CD2 3.72Å; F51-F67 HydrophobicContact CE1-CD2 3.72Å; F51-F67 HydrophobicContact CE1-CE2 4Å; F51-F67 HydrophobicContact CE1-CG 4.35Å; L52-F67 HydrophobicContact CB-CD1 4.26Å; L52-F67 HydrophobicContact CB-CE1 3.97Å; L52-F67 HydrophobicContact CD1-CD1 4.2Å; L55-F67 HydrophobicContact CD1-CB 4.12Å; L55-F67 HydrophobicContact CD1-CG 4.46Å; E63-F67 WeakPolarHBondContact O-CB 3.32Å; E63-F67 PolarHBondContact O-N 2.69Å; V64-F67 PolarHBondContact O-N 2.87Å; F67-P70 VanDerWaalsContact O-CD 3.26Å; F67-P70 WeakPolarHBondContact O-CD 3.16Å; F67-I176 HydrophobicContact CE1-CD1 4.36Å; F67-M309 HydrophobicContact CE1-SD 4.24Å; F67-M309 HydrophobicContact CE2-CG 4.09Å; F67-M309 HydrophobicContact CE2-SD 4.26Å; F67-M309 HydrophobicContact CZ-CG 4.26Å; F67-M309 HydrophobicContact CZ-SD 3.8Å |
| 68 | I | 84.8 | Confident | 81.1 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -82.8 | -12.7 | 179.8 | -66.3 | -69 | 0 | 0 | 0 | 113 | L52 V64 Q66 P70 L71 E72 F77 F82 V172 | L52-I68 HydrophobicContact CD1-CD1 4.13Å; L52-I68 HydrophobicContact CD1-CG1 4.13Å; L52-I68 HydrophobicContact CD2-CD1 4.08Å; V64-I68 WeakPolarHBondContact O-CB 3.43Å; V64-I68 WeakPolarHBondContact O-CG1 3.23Å; V64-I68 PolarHBondContact O-N 3.23Å; V64-I68 VanDerWaalsContact O-N 3.11Å; Q66-I68 VanDerWaalsContact C-N 3.32Å; Q66-I68 PolarHBondContact O-N 3.09Å; I68-P70 VanDerWaalsContact C-N 3.31Å; I68-P70 VanDerWaalsContact O-N 3.11Å; I68-L71 HydrophobicContact CD1-CD1 4.08Å; I68-L71 HydrophobicContact CG2-CB 4.49Å; I68-L71 WeakPolarHBondContact O-CB 3.26Å; I68-L71 PolarHBondContact O-N 2.79Å; I68-E72 PolarHBondContact O-N 3.48Å; I68-F77 HydrophobicContact CG2-CE1 3.67Å; I68-F77 HydrophobicContact CG2-CZ 3.6Å; I68-F82 HydrophobicContact CB-CE1 4.02Å; I68-F82 HydrophobicContact CB-CZ 4.4Å; I68-F82 HydrophobicContact CD1-CZ 4.15Å; I68-F82 HydrophobicContact CG1-CE1 3.76Å; I68-F82 HydrophobicContact CG1-CZ 3.68Å; I68-F82 HydrophobicContact CG2-CD1 3.94Å; I68-F82 HydrophobicContact CG2-CE1 3.79Å; I68-F82 HydrophobicContact CG2-CZ 4.24Å; I68-V172 HydrophobicContact CD1-CG1 4.28Å; I68-V172 HydrophobicContact CD1-CG2 3.83Å |
| 69 | Q | 81.9 | Confident | 81.7 | Confident | 118 Ų | 118 | 65.1 Ų | 65.1 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -39.1 | -179.3 | -168.2 | 174.3 | 38.8 | 0 | 0 | 115.1 | L65 Q66 L71 E72 | L65-Q69 PolarHBondContact O-N 3.22Å; Q66-Q69 VanDerWaalsContact O-CB 3.26Å; Q66-Q69 WeakPolarHBondContact O-CB 3.35Å; Q66-Q69 PolarHBondContact O-N 3.33Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.18Å; Q69-E72 WeakPolarHBondContact O-CB 3.44Å; Q69-E72 PolarHBondContact O-N 2.88Å |
| 70 | P | 80.8 | Confident | 82 | Confident | 54 Ų | 54 | 68.8 Ų | 68.8 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28 | 175.9 | -22.7 | 35.6 | 0 | 0 | 0 | 114.2 | F67 I68 | F67-P70 VanDerWaalsContact O-CD 3.26Å; F67-P70 WeakPolarHBondContact O-CD 3.16Å; I68-P70 VanDerWaalsContact C-N 3.31Å; I68-P70 VanDerWaalsContact O-N 3.11Å |
| 71 | L | 78.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -80.5 | -22.6 | 177.9 | -59.9 | -177.6 | 0 | 0 | 0 | 112.5 | I68 Q69 C73 M74 F77 V172 F175 I176 M309 | I68-L71 HydrophobicContact CD1-CD1 4.08Å; I68-L71 HydrophobicContact CG2-CB 4.49Å; I68-L71 WeakPolarHBondContact O-CB 3.26Å; I68-L71 PolarHBondContact O-N 2.79Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 3.18Å; L71-C73 PolarHBondContact O-N 3.19Å; L71-C73 VanDerWaalsContact O-N 3.12Å; L71-M74 WeakPolarHBondContact O-CB 3.33Å; L71-M74 PolarHBondContact O-N 2.98Å; L71-F77 HydrophobicContact CB-CD1 4.28Å; L71-F77 HydrophobicContact CB-CE1 4.43Å; L71-F77 HydrophobicContact CB-CG 4.36Å; L71-F77 WeakPolarHBondContact O-CB 3.33Å; L71-V172 HydrophobicContact CD1-CG1 4Å; L71-F175 HydrophobicContact CD1-CB 4.12Å; L71-F175 HydrophobicContact CD2-CB 3.84Å; L71-F175 HydrophobicContact CD2-CG 4.46Å; L71-I176 HydrophobicContact CD1-CD1 4.3Å; L71-I176 HydrophobicContact CD1-CG1 4.29Å; L71-M309 HydrophobicContact CD2-CE 3.88Å; L71-M309 HydrophobicContact CG-CE 4.12Å |
| 72 | E | 77.1 | Confident | 82.4 | Confident | 18 Ų | 18 | 71.7 Ų | 71.7 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -66 | -12 | 176 | -57.4 | -167.2 | 135.2 | 0 | 0 | 114.2 | I68 Q69 F77 K79 R83 | I68-E72 PolarHBondContact O-N 3.48Å; Q69-E72 WeakPolarHBondContact O-CB 3.44Å; Q69-E72 PolarHBondContact O-N 2.88Å; E72-F77 HydrophobicContact CG-CE1 4.36Å; E72-K79 HydrophobicContact CB-CB 4.27Å; E72-K79 HydrophobicContact CB-CD 3.99Å; E72-K79 HydrophobicContact CG-CB 4.06Å; E72-K79 WeakPolarHBondContact O-CD 3.49Å; E72-K79 PolarHBondContact O-NZ 2.88Å; E72-R83 VanDerWaalsContact CD-NH2 3.34Å; E72-R83 IonicContact OE1-CZ 3.09Å; E72-R83 IonicContact OE1-NE 2.65Å; E72-R83 PolarHBondContact OE1-NE 2.82Å; E72-R83 IonicContact OE1-NH2 3.24Å; E72-R83 PolarHBondContact OE1-NH2 3.35Å; E72-R83 VanDerWaalsContact OE1-NH2 3.15Å; E72-R83 IonicContact OE2-CZ 3.8Å; E72-R83 IonicContact OE2-NE 2.77Å; E72-R83 IonicContact OE2-NH2 3.12Å; E72-R83 PolarHBondContact OE2-NH2 3.08Å |
| 73 | C | 74.3 | Confident | 82.6 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -85.2 | -9.2 | 171.7 | -65.3 | 0 | 0 | 0 | 0 | 113.7 | L71 | L71-C73 PolarHBondContact O-N 3.19Å; L71-C73 VanDerWaalsContact O-N 3.12Å |
| 74 | M | 77.7 | Confident | 82.9 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 41% | 0.414 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -87.3 | 124.3 | 178.9 | -60.1 | -66.6 | -179.7 | 0 | 0 | 110.8 | L71 K76 F77 F175 | L71-M74 WeakPolarHBondContact O-CB 3.33Å; L71-M74 PolarHBondContact O-N 2.98Å; M74-K76 PolarHBondContact O-N 3.28Å; M74-K76 VanDerWaalsContact O-N 3.08Å; M74-F77 HydrophobicContact CB-CB 4.24Å; M74-F77 PolarHBondContact O-N 2.89Å; M74-F175 HydrophobicContact CB-CD1 4.49Å; M74-F175 HydrophobicContact CB-CE1 4.16Å; M74-F175 HydrophobicContact CG-CD1 4.42Å |
| 75 | E | 70.7 | Confident | 83.1 | Confident | 208 Ų | 208 | 69.1 Ų | 69.1 | 97% | 0.972 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.6 | -176.5 | -62.2 | -172.5 | 149.9 | 0 | 0 | 114.5 | ||
| 76 | K | 80.3 | Confident | 83.3 | Confident | 155 Ų | 155 | 67.5 Ų | 67.5 | 67% | 0.674 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -19.2 | 175.9 | -75.9 | -178.5 | 157 | -164.3 | 0 | 114.4 | M74 E174 F175 | M74-K76 PolarHBondContact O-N 3.28Å; M74-K76 VanDerWaalsContact O-N 3.08Å; K76-E174 IonicContact NZ-OE1 2.77Å; K76-E174 PolarHBondContact NZ-OE1 2.83Å; K76-F175 HydrophobicContact CB-CE1 3.88Å; K76-F175 HydrophobicContact CB-CZ 3.67Å |
| 77 | F | 84.9 | Confident | 83.4 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -87.2 | 118.7 | -170.5 | -177.5 | -107.6 | 0 | 0 | 0 | 111.1 | I68 L71 E72 M74 K79 F82 V172 F175 | I68-F77 HydrophobicContact CG2-CE1 3.67Å; I68-F77 HydrophobicContact CG2-CZ 3.6Å; L71-F77 HydrophobicContact CB-CD1 4.28Å; L71-F77 HydrophobicContact CB-CE1 4.43Å; L71-F77 HydrophobicContact CB-CG 4.36Å; L71-F77 WeakPolarHBondContact O-CB 3.33Å; E72-F77 HydrophobicContact CG-CE1 4.36Å; M74-F77 HydrophobicContact CB-CB 4.24Å; M74-F77 PolarHBondContact O-N 2.89Å; F77-K79 HydrophobicContact CD1-CB 4Å; F77-K79 HydrophobicContact CE1-CB 4.15Å; F77-K79 PolarHBondContact O-N 2.91Å; F77-F82 HydrophobicContact CE1-CB 4.11Å; F77-F82 HydrophobicContact CE1-CG 4.27Å; F77-F82 HydrophobicContact CE2-CD2 4.27Å; F77-F82 HydrophobicContact CZ-CB 3.77Å; F77-F82 HydrophobicContact CZ-CD1 4.27Å; F77-F82 AromaticContact CZ-CD2 3.7Å; F77-F82 HydrophobicContact CZ-CD2 3.7Å; F77-F82 HydrophobicContact CZ-CE2 4.39Å; F77-F82 AromaticContact CZ-CG 3.63Å; F77-F82 HydrophobicContact CZ-CG 3.63Å; F77-V172 HydrophobicContact CE2-CG2 4.02Å; F77-V172 HydrophobicContact CZ-CG2 4.44Å; F77-F175 HydrophobicContact CB-CE1 4.4Å; F77-F175 HydrophobicContact CB-CE2 4.18Å; F77-F175 HydrophobicContact CB-CZ 3.94Å; F77-F175 HydrophobicContact CD2-CD2 4Å; F77-F175 AromaticContact CD2-CE2 3.75Å; F77-F175 HydrophobicContact CD2-CE2 3.75Å; F77-F175 HydrophobicContact CD2-CZ 4.38Å; F77-F175 HydrophobicContact CG-CE2 4.45Å |
| 78 | D | 84.5 | Confident | 83.8 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | trans | -75.8 | 74.4 | 177.3 | -174 | -4 | 0 | 0 | 0 | 111.4 | K80 R81 F82 M171 | D78-K80 PolarHBondContact O-N 2.86Å; D78-K80 PolarHBondContact OD1-N 3.14Å; D78-R81 HydrophobicContact CB-CB 4.26Å; D78-R81 PolarHBondContact O-N 2.99Å; D78-R81 WeakPolarHBondContact OD1-CB 3.25Å; D78-R81 PolarHBondContact OD1-N 3.48Å; D78-R81 WeakPolarHBondContact OD2-CB 3.48Å; D78-F82 PolarHBondContact O-N 3.15Å; D78-M171 HydrophobicContact CB-CE 3.94Å; D78-M171 VanDerWaalsContact O-CE 3.25Å; D78-M171 WeakPolarHBondContact O-CE 3.28Å | ||
| 79 | K | 86.1 | Confident | 83.9 | Confident | 105 Ų | 105 | 67.2 Ų | 67.2 | 46% | 0.457 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.6 | -27.6 | 176.8 | 62.5 | -174.5 | 168.9 | -165 | 0 | 113.6 | E72 F77 R83 | E72-K79 HydrophobicContact CB-CB 4.27Å; E72-K79 HydrophobicContact CB-CD 3.99Å; E72-K79 HydrophobicContact CG-CB 4.06Å; E72-K79 WeakPolarHBondContact O-CD 3.49Å; E72-K79 PolarHBondContact O-NZ 2.88Å; F77-K79 HydrophobicContact CD1-CB 4Å; F77-K79 HydrophobicContact CE1-CB 4.15Å; F77-K79 PolarHBondContact O-N 2.91Å; K79-R83 VanDerWaalsContact O-CB 3.31Å; K79-R83 WeakPolarHBondContact O-CB 3.29Å; K79-R83 VanDerWaalsContact O-CG 3.3Å; K79-R83 WeakPolarHBondContact O-CG 3.36Å; K79-R83 PolarHBondContact O-N 3.2Å |
| 80 | K | 87.1 | Confident | 84.2 | Confident | 94 Ų | 94 | 63.8 Ų | 63.8 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71 | -48 | 178.2 | 173 | 159.8 | 165 | 140 | 0 | 110.1 | D78 Y84 E126 Y127 C128 | D78-K80 PolarHBondContact O-N 2.86Å; D78-K80 PolarHBondContact OD1-N 3.14Å; K80-Y84 WeakPolarHBondContact O-CB 3.39Å; K80-Y84 PolarHBondContact O-N 3.41Å; K80-E126 PolarHBondContact NZ-O 3.35Å; K80-Y127 WeakPolarHBondContact CE-O 3.42Å; K80-Y127 HydrophobicContact CG-CD1 4.43Å; K80-C128 VanDerWaalsContact CE-O 3.29Å; K80-C128 WeakPolarHBondContact CE-O 3.22Å; K80-C128 PolarHBondContact NZ-O 3.3Å |
| 81 | R | 87.5 | Confident | 84.5 | Confident | 140 Ų | 140 | 61.2 Ų | 61.2 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 174.7 | 179.9 | 179.6 | 177.5 | 170.5 | -0.1 | 112.3 | D78 Y84 I85 M171 | D78-R81 HydrophobicContact CB-CB 4.26Å; D78-R81 PolarHBondContact O-N 2.99Å; D78-R81 WeakPolarHBondContact OD1-CB 3.25Å; D78-R81 PolarHBondContact OD1-N 3.48Å; D78-R81 WeakPolarHBondContact OD2-CB 3.48Å; R81-Y84 PolarHBondContact O-N 3.34Å; R81-I85 HydrophobicContact CG-CD1 3.95Å; R81-I85 WeakPolarHBondContact O-CG1 3.3Å; R81-I85 PolarHBondContact O-N 3.48Å; R81-M171 HydrophobicContact CB-CE 3.94Å; R81-M171 HydrophobicContact CG-CE 3.98Å; R81-M171 HydrophobicContact CG-SD 3.97Å |
| 82 | F | 89.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -51.2 | 178.3 | -169.2 | -87.5 | 0 | 0 | 0 | 111.5 | V64 I68 F77 D78 Y84 I85 I86 A168 M171 V172 | V64-F82 HydrophobicContact CG1-CE1 4.25Å; V64-F82 HydrophobicContact CG1-CZ 4.26Å; I68-F82 HydrophobicContact CB-CE1 4.02Å; I68-F82 HydrophobicContact CB-CZ 4.4Å; I68-F82 HydrophobicContact CD1-CZ 4.15Å; I68-F82 HydrophobicContact CG1-CE1 3.76Å; I68-F82 HydrophobicContact CG1-CZ 3.68Å; I68-F82 HydrophobicContact CG2-CD1 3.94Å; I68-F82 HydrophobicContact CG2-CE1 3.79Å; I68-F82 HydrophobicContact CG2-CZ 4.24Å; F77-F82 HydrophobicContact CE1-CB 4.11Å; F77-F82 HydrophobicContact CE1-CG 4.27Å; F77-F82 HydrophobicContact CE2-CD2 4.27Å; F77-F82 HydrophobicContact CZ-CB 3.77Å; F77-F82 HydrophobicContact CZ-CD1 4.27Å; F77-F82 AromaticContact CZ-CD2 3.7Å; F77-F82 HydrophobicContact CZ-CD2 3.7Å; F77-F82 HydrophobicContact CZ-CE2 4.39Å; F77-F82 AromaticContact CZ-CG 3.63Å; F77-F82 HydrophobicContact CZ-CG 3.63Å; D78-F82 PolarHBondContact O-N 3.15Å; F82-Y84 VanDerWaalsContact C-N 3.3Å; F82-Y84 PolarHBondContact O-N 2.95Å; F82-I85 PolarHBondContact O-N 2.64Å; F82-I86 HydrophobicContact CD1-CG1 4.05Å; F82-I86 HydrophobicContact CE1-CD1 4.26Å; F82-I86 HydrophobicContact CE1-CG1 3.6Å; F82-I86 HydrophobicContact CZ-CD1 4.25Å; F82-I86 HydrophobicContact CZ-CG1 4.07Å; F82-I86 PolarHBondContact O-N 3.02Å; F82-I86 VanDerWaalsContact O-N 3.13Å; F82-A168 HydrophobicContact CE2-CB 3.71Å; F82-A168 HydrophobicContact CZ-CB 4.26Å; F82-M171 HydrophobicContact CB-CE 3.91Å; F82-M171 HydrophobicContact CD2-CB 4.45Å; F82-M171 HydrophobicContact CD2-CE 4.49Å; F82-M171 HydrophobicContact CD2-SD 4.45Å; F82-V172 HydrophobicContact CD2-CG2 4.31Å; F82-V172 HydrophobicContact CE2-CG2 3.74Å; F82-V172 HydrophobicContact CZ-CG2 4.49Å |
| 83 | R | 88.6 | Confident | 85.1 | Confident | 71 Ų | 71 | 60.9 Ų | 60.9 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 175.1 | -75.7 | -178.9 | 178.4 | -149.8 | -2.2 | 112.2 | L65 E72 K79 I86 M87 Y127 | L65-R83 HydrophobicContact CD2-CG 4.05Å; E72-R83 VanDerWaalsContact CD-NH2 3.34Å; E72-R83 IonicContact OE1-CZ 3.09Å; E72-R83 IonicContact OE1-NE 2.65Å; E72-R83 PolarHBondContact OE1-NE 2.82Å; E72-R83 IonicContact OE1-NH2 3.24Å; E72-R83 PolarHBondContact OE1-NH2 3.35Å; E72-R83 VanDerWaalsContact OE1-NH2 3.15Å; E72-R83 IonicContact OE2-CZ 3.8Å; E72-R83 IonicContact OE2-NE 2.77Å; E72-R83 IonicContact OE2-NH2 3.12Å; E72-R83 PolarHBondContact OE2-NH2 3.08Å; K79-R83 VanDerWaalsContact O-CB 3.31Å; K79-R83 WeakPolarHBondContact O-CB 3.29Å; K79-R83 VanDerWaalsContact O-CG 3.3Å; K79-R83 WeakPolarHBondContact O-CG 3.36Å; K79-R83 PolarHBondContact O-N 3.2Å; R83-I86 PolarHBondContact O-N 2.86Å; R83-M87 VanDerWaalsContact O-CB 3.24Å; R83-M87 WeakPolarHBondContact O-CB 3.44Å; R83-M87 VanDerWaalsContact O-CG 3.25Å; R83-M87 WeakPolarHBondContact O-CG 3.47Å; R83-M87 PolarHBondContact O-N 3.49Å; R83-Y127 HydrophobicContact CB-CD1 3.6Å; R83-Y127 HydrophobicContact CB-CE1 4.04Å; R83-Y127 HydrophobicContact CB-CG 3.95Å; R83-Y127 HydrophobicContact CG-CD1 4.32Å; R83-Y127 HydrophobicContact CG-CE1 4.27Å; R83-Y127 PolarHBondContact NH1-OH 3.26Å |
| 84 | Y | 89.7 | Confident | 85.4 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 176.1 | 173.1 | -107.3 | 0 | 0 | 0 | 112.5 | K80 R81 F82 K88 L124 P129 L137 | K80-Y84 WeakPolarHBondContact O-CB 3.39Å; K80-Y84 PolarHBondContact O-N 3.41Å; R81-Y84 PolarHBondContact O-N 3.34Å; F82-Y84 VanDerWaalsContact C-N 3.3Å; F82-Y84 PolarHBondContact O-N 2.95Å; Y84-K88 HydrophobicContact CE1-CD 4.25Å; Y84-K88 WeakPolarHBondContact O-CB 3.3Å; Y84-K88 PolarHBondContact O-N 3.08Å; Y84-L124 HydrophobicContact CD2-CD2 4.09Å; Y84-L124 HydrophobicContact CD2-CG 4.46Å; Y84-L124 HydrophobicContact CE2-CD2 3.98Å; Y84-P129 HydrophobicContact CE1-CG 4.18Å; Y84-P129 HydrophobicContact CE2-CG 4.47Å; Y84-L137 HydrophobicContact CE2-CD1 4.49Å |
| 85 | I | 88.9 | Confident | 85.2 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -50.1 | 179 | -67.5 | 161 | 0 | 0 | 0 | 110.7 | R81 F82 K88 Q89 E167 M171 | R81-I85 HydrophobicContact CG-CD1 3.95Å; R81-I85 WeakPolarHBondContact O-CG1 3.3Å; R81-I85 PolarHBondContact O-N 3.48Å; F82-I85 PolarHBondContact O-N 2.64Å; I85-K88 PolarHBondContact O-N 2.87Å; I85-Q89 PolarHBondContact O-N 2.84Å; I85-E167 HydrophobicContact CD1-CB 4.26Å; I85-E167 WeakPolarHBondContact CD1-OE2 3.31Å; I85-M171 HydrophobicContact CD1-SD 3.81Å |
| 86 | I | 90.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -49.9 | -179.8 | -62.3 | -55.6 | 0 | 0 | 0 | 111.8 | I56 W61 V64 L65 F82 R83 K88 Q89 K90 | I56-I86 HydrophobicContact CD1-CD1 4.25Å; I56-I86 HydrophobicContact CG1-CD1 4.47Å; W61-I86 HydrophobicContact CB-CG2 4.33Å; W61-I86 HydrophobicContact CE3-CD1 4.37Å; W61-I86 HydrophobicContact CE3-CG2 3.95Å; W61-I86 HydrophobicContact CZ3-CD1 4.22Å; V64-I86 HydrophobicContact CG1-CD1 3.8Å; V64-I86 HydrophobicContact CG1-CG1 4.13Å; L65-I86 HydrophobicContact CD1-CG2 4.38Å; L65-I86 HydrophobicContact CD2-CB 4.17Å; L65-I86 HydrophobicContact CD2-CG1 4.45Å; L65-I86 HydrophobicContact CD2-CG2 3.97Å; L65-I86 HydrophobicContact CG-CG2 3.98Å; F82-I86 HydrophobicContact CD1-CG1 4.05Å; F82-I86 HydrophobicContact CE1-CD1 4.26Å; F82-I86 HydrophobicContact CE1-CG1 3.6Å; F82-I86 HydrophobicContact CZ-CD1 4.25Å; F82-I86 HydrophobicContact CZ-CG1 4.07Å; F82-I86 PolarHBondContact O-N 3.02Å; F82-I86 VanDerWaalsContact O-N 3.13Å; R83-I86 PolarHBondContact O-N 2.86Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 3.13Å; I86-Q89 PolarHBondContact O-N 2.8Å; I86-K90 PolarHBondContact O-N 3.25Å |
| 87 | M | 86.8 | Confident | 84.5 | Confident | 19 Ų | 19 | 37.9 Ų | 37.9 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -33.2 | -179.4 | -70.3 | -64.4 | -68.3 | 0 | 0 | 112.5 | L65 R83 K90 F91 A123 L124 | L65-M87 HydrophobicContact CD1-SD 4.08Å; R83-M87 VanDerWaalsContact O-CB 3.24Å; R83-M87 WeakPolarHBondContact O-CB 3.44Å; R83-M87 VanDerWaalsContact O-CG 3.25Å; R83-M87 WeakPolarHBondContact O-CG 3.47Å; R83-M87 PolarHBondContact O-N 3.49Å; M87-K90 PolarHBondContact O-N 3.18Å; M87-K90 HydrophobicContact SD-CD 4.26Å; M87-F91 WeakPolarHBondContact O-CB 3.44Å; M87-F91 PolarHBondContact O-N 3.34Å; M87-A123 HydrophobicContact CE-CB 3.67Å; M87-L124 HydrophobicContact CB-CD1 4.18Å; M87-L124 HydrophobicContact CB-CG 4.38Å |
| 88 | K | 89.1 | Confident | 83.1 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63 | -42.7 | 174.8 | -179.6 | 179.5 | 177.5 | -177.6 | 0 | 111.7 | Y84 I85 I86 F91 L92 L124 | Y84-K88 HydrophobicContact CE1-CD 4.25Å; Y84-K88 WeakPolarHBondContact O-CB 3.3Å; Y84-K88 PolarHBondContact O-N 3.08Å; I85-K88 PolarHBondContact O-N 2.87Å; I86-K88 VanDerWaalsContact C-N 3.31Å; I86-K88 PolarHBondContact O-N 3.13Å; K88-F91 PolarHBondContact O-N 2.94Å; K88-L92 HydrophobicContact CG-CD1 4.08Å; K88-L92 WeakPolarHBondContact O-CB 3.39Å; K88-L92 VanDerWaalsContact O-CG 3.29Å; K88-L92 WeakPolarHBondContact O-CG 3.26Å; K88-L92 PolarHBondContact O-N 3.32Å; K88-L124 HydrophobicContact CB-CD1 4.22Å |
| 89 | Q | 88.1 | Confident | 81.6 | Confident | 29 Ų | 29 | 36.6 Ų | 36.6 | 14% | 0.136 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.1 | -39.3 | 176.2 | -58.5 | -64.7 | 11.7 | 0 | 0 | 111.8 | W61 I85 I86 F91 L92 E93 C164 | W61-Q89 HydrophobicContact CH2-CB 3.72Å; W61-Q89 HydrophobicContact CH2-CG 4.36Å; W61-Q89 HydrophobicContact CZ2-CB 3.79Å; W61-Q89 HydrophobicContact CZ3-CB 4.29Å; I85-Q89 PolarHBondContact O-N 2.84Å; I86-Q89 PolarHBondContact O-N 2.8Å; Q89-F91 VanDerWaalsContact C-N 3.29Å; Q89-F91 PolarHBondContact O-N 2.87Å; Q89-L92 PolarHBondContact O-N 3.44Å; Q89-E93 WeakPolarHBondContact O-CG 3.38Å; Q89-E93 PolarHBondContact O-N 2.78Å; Q89-C164 HydrophobicContact CG-CB 3.94Å |
| 90 | K | 87.8 | Confident | 80 | Confident | 47 Ų | 47 | 34.2 Ų | 34.2 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.7 | -44.6 | 172.2 | -168.6 | -178.5 | -170.6 | -177.5 | 0 | 111.9 | W61 D62 I86 M87 A94 | W61-K90 HydrophobicContact CB-CB 4.18Å; W61-K90 HydrophobicContact CB-CD 4.06Å; W61-K90 HydrophobicContact CB-CG 4.12Å; W61-K90 HydrophobicContact CG-CB 3.97Å; W61-K90 HydrophobicContact CG-CG 4.13Å; D62-K90 IonicContact OD1-NZ 2.68Å; D62-K90 PolarHBondContact OD1-NZ 3.04Å; D62-K90 IonicContact OD2-NZ 3.61Å; D62-K90 PolarHBondContact OD2-NZ 2.98Å; I86-K90 PolarHBondContact O-N 3.25Å; M87-K90 PolarHBondContact O-N 3.18Å; M87-K90 HydrophobicContact SD-CD 4.26Å; K90-A94 PolarHBondContact O-N 2.77Å; K90-A94 VanDerWaalsContact O-N 3.1Å |
| 91 | F | 87.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 175.7 | 172.6 | -111 | 0 | 0 | 0 | 113.1 | M87 K88 Q89 E93 A94 L95 A117 C120 L121 L124 L137 L141 | M87-F91 WeakPolarHBondContact O-CB 3.44Å; M87-F91 PolarHBondContact O-N 3.34Å; K88-F91 PolarHBondContact O-N 2.94Å; Q89-F91 VanDerWaalsContact C-N 3.29Å; Q89-F91 PolarHBondContact O-N 2.87Å; F91-E93 PolarHBondContact O-N 3.11Å; F91-A94 PolarHBondContact O-N 2.85Å; F91-L95 HydrophobicContact CD1-CD1 4.06Å; F91-L95 HydrophobicContact CE1-CD1 3.49Å; F91-L95 VanDerWaalsContact CE1-CD1 3.49Å; F91-L95 HydrophobicContact CE1-CG 4.37Å; F91-L95 HydrophobicContact CE2-CD1 4.06Å; F91-L95 HydrophobicContact CE2-CD2 4.49Å; F91-L95 HydrophobicContact CE2-CG 4.11Å; F91-L95 HydrophobicContact CZ-CD1 3.5Å; F91-L95 VanDerWaalsContact CZ-CD1 3.5Å; F91-L95 HydrophobicContact CZ-CD2 4.45Å; F91-L95 HydrophobicContact CZ-CG 4.06Å; F91-L95 PolarHBondContact O-N 2.93Å; F91-A117 WeakPolarHBondContact CD2-O 3.38Å; F91-C120 HydrophobicContact CB-CB 4.46Å; F91-L121 HydrophobicContact CD2-CB 4.04Å; F91-L121 HydrophobicContact CE1-CD1 4.26Å; F91-L121 HydrophobicContact CE2-CB 3.73Å; F91-L121 HydrophobicContact CE2-CD1 4.12Å; F91-L121 HydrophobicContact CE2-CD2 4.24Å; F91-L121 HydrophobicContact CE2-CG 4.25Å; F91-L121 HydrophobicContact CZ-CB 4.37Å; F91-L121 HydrophobicContact CZ-CD1 3.94Å; F91-L121 HydrophobicContact CZ-CD2 4.2Å; F91-L121 HydrophobicContact CZ-CG 4.4Å; F91-L124 HydrophobicContact CB-CD1 4.38Å; F91-L137 HydrophobicContact CD1-CD2 4.07Å; F91-L137 HydrophobicContact CE1-CB 3.91Å; F91-L137 HydrophobicContact CE1-CD2 3.9Å; F91-L137 HydrophobicContact CE1-CG 4.44Å; F91-L137 WeakPolarHBondContact CZ-O 3.42Å; F91-L141 HydrophobicContact CE2-CD2 4.43Å; F91-L141 HydrophobicContact CE2-CG 4.33Å; F91-L141 HydrophobicContact CZ-CG 4.26Å |
| 92 | L | 84.8 | Confident | 76.2 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -35.2 | 178.7 | -71.7 | 169.4 | 0 | 0 | 0 | 112.6 | K88 Q89 L95 C96 L140 L146 F152 W155 | K88-L92 HydrophobicContact CG-CD1 4.08Å; K88-L92 WeakPolarHBondContact O-CB 3.39Å; K88-L92 VanDerWaalsContact O-CG 3.29Å; K88-L92 WeakPolarHBondContact O-CG 3.26Å; K88-L92 PolarHBondContact O-N 3.32Å; Q89-L92 PolarHBondContact O-N 3.44Å; L92-L95 HydrophobicContact CD2-CD1 4.44Å; L92-L95 PolarHBondContact O-N 3.41Å; L92-C96 WeakPolarHBondContact O-CB 3.41Å; L92-C96 PolarHBondContact O-N 2.93Å; L92-L140 HydrophobicContact CD2-CD1 3.77Å; L92-L146 HydrophobicContact CD2-CD1 4.04Å; L92-L146 HydrophobicContact CD2-CD2 4.29Å; L92-F152 HydrophobicContact CD1-CE1 3.81Å; L92-F152 HydrophobicContact CD1-CZ 4.3Å; L92-F152 HydrophobicContact CD2-CD1 4.39Å; L92-F152 HydrophobicContact CD2-CE1 3.85Å; L92-F152 HydrophobicContact CD2-CZ 3.96Å; L92-W155 HydrophobicContact CB-CH2 4.25Å; L92-W155 HydrophobicContact CB-CZ2 3.74Å |
| 93 | E | 83.8 | Confident | 74.1 | Confident | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -44.7 | 172.4 | -72.2 | -171.2 | 170.9 | 0 | 0 | 111.8 | W61 Q89 F91 L95 C96 V97 W155 P157 R161 L287 | W61-E93 PolarHBondContact NE1-OE2 3.29Å; Q89-E93 WeakPolarHBondContact O-CG 3.38Å; Q89-E93 PolarHBondContact O-N 2.78Å; F91-E93 PolarHBondContact O-N 3.11Å; E93-L95 VanDerWaalsContact C-N 3.31Å; E93-L95 PolarHBondContact O-N 3.29Å; E93-C96 WeakPolarHBondContact O-CA 3.28Å; E93-C96 WeakPolarHBondContact O-CB 3.34Å; E93-C96 PolarHBondContact O-N 3.21Å; E93-V97 WeakPolarHBondContact O-CG2 3.41Å; E93-V97 PolarHBondContact O-N 2.94Å; E93-W155 HydrophobicContact CG-CH2 4.15Å; E93-P157 HydrophobicContact CG-CB 4.43Å; E93-R161 IonicContact OE1-CZ 3.65Å; E93-R161 IonicContact OE1-NE 2.93Å; E93-R161 PolarHBondContact OE1-NE 3.21Å; E93-R161 IonicContact OE1-NH2 2.63Å; E93-R161 PolarHBondContact OE1-NH2 2.84Å; E93-R161 IonicContact OE2-CZ 2.76Å; E93-R161 IonicContact OE2-NE 2.89Å; E93-R161 IonicContact OE2-NH2 3.43Å; E93-R161 PolarHBondContact OE2-NH2 3.43Å; E93-L287 HydrophobicContact CG-CD1 4.41Å |
| 94 | A | 79.2 | Confident | 72.1 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 12% | 0.124 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K90 F91 C96 N98 A117 | K90-A94 PolarHBondContact O-N 2.77Å; K90-A94 VanDerWaalsContact O-N 3.1Å; F91-A94 PolarHBondContact O-N 2.85Å; A94-C96 VanDerWaalsContact C-N 3.35Å; A94-N98 PolarHBondContact O-N 3.17Å; A94-N98 PolarHBondContact O-ND2 3.19Å; A94-A117 HydrophobicContact CB-CB 4.02Å |
| 95 | L | 74.6 | Confident | 70.1 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 170.2 | -77.8 | 176.8 | 0 | 0 | 0 | 112.8 | F91 L92 E93 N99 L140 L141 | F91-L95 HydrophobicContact CD1-CD1 4.06Å; F91-L95 HydrophobicContact CE1-CD1 3.49Å; F91-L95 VanDerWaalsContact CE1-CD1 3.49Å; F91-L95 HydrophobicContact CE1-CG 4.37Å; F91-L95 HydrophobicContact CE2-CD1 4.06Å; F91-L95 HydrophobicContact CE2-CD2 4.49Å; F91-L95 HydrophobicContact CE2-CG 4.11Å; F91-L95 HydrophobicContact CZ-CD1 3.5Å; F91-L95 VanDerWaalsContact CZ-CD1 3.5Å; F91-L95 HydrophobicContact CZ-CD2 4.45Å; F91-L95 HydrophobicContact CZ-CG 4.06Å; F91-L95 PolarHBondContact O-N 2.93Å; L92-L95 HydrophobicContact CD2-CD1 4.44Å; L92-L95 PolarHBondContact O-N 3.41Å; E93-L95 VanDerWaalsContact C-N 3.31Å; E93-L95 PolarHBondContact O-N 3.29Å; L95-N99 PolarHBondContact O-ND2 2.91Å; L95-L140 HydrophobicContact CD1-CB 3.7Å; L95-L140 HydrophobicContact CD1-CD1 4.29Å; L95-L141 HydrophobicContact CD2-CD2 3.78Å; L95-L141 HydrophobicContact CD2-CG 4.37Å |
| 96 | C | 71 | Confident | 68.2 | Low | 36 Ų | 36 | 48.7 Ų | 48.7 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 178.6 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | L92 E93 A94 N98 N99 A100 W155 | L92-C96 WeakPolarHBondContact O-CB 3.41Å; L92-C96 PolarHBondContact O-N 2.93Å; E93-C96 WeakPolarHBondContact O-CA 3.28Å; E93-C96 WeakPolarHBondContact O-CB 3.34Å; E93-C96 PolarHBondContact O-N 3.21Å; A94-C96 VanDerWaalsContact C-N 3.35Å; C96-N98 PolarHBondContact O-N 2.89Å; C96-N99 PolarHBondContact O-N 3.27Å; C96-N99 VanDerWaalsContact O-N 3.1Å; C96-A100 PolarHBondContact O-N 2.81Å; C96-W155 HydrophobicContact CB-CH2 4.19Å; C96-W155 HydrophobicContact CB-CZ3 3.76Å |
| 97 | V | 64.1 | Low | 66.5 | Low | 14 Ų | 14 | 53.3 Ų | 53.3 | 9% | 0.085 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 178.6 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | E93 N99 A100 T113 I288 L291 | E93-V97 WeakPolarHBondContact O-CG2 3.41Å; E93-V97 PolarHBondContact O-N 2.94Å; V97-N99 PolarHBondContact O-N 3.45Å; V97-N99 VanDerWaalsContact O-N 3.1Å; V97-A100 PolarHBondContact O-N 2.99Å; V97-T113 HydrophobicContact CB-CG2 4.31Å; V97-T113 HydrophobicContact CG1-CG2 4.23Å; V97-I288 HydrophobicContact CB-CG1 4.21Å; V97-I288 HydrophobicContact CG1-CB 4.29Å; V97-I288 HydrophobicContact CG1-CG1 3.95Å; V97-I288 HydrophobicContact CG1-CG2 3.82Å; V97-I288 HydrophobicContact CG2-CG1 3.8Å; V97-L291 HydrophobicContact CB-CD1 4.04Å; V97-L291 HydrophobicContact CG1-CD1 3.38Å; V97-L291 HydrophobicContact CG2-CD1 4.33Å |
| 98 | N | 56.2 | Low | 65 | Low | 23 Ų | 23 | 59.3 Ų | 59.3 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.3 | -29.1 | 175.2 | -80.8 | -61.7 | 0 | 0 | 0 | 113.4 | A94 C96 L110 T113 M114 | A94-N98 PolarHBondContact O-N 3.17Å; A94-N98 PolarHBondContact O-ND2 3.19Å; C96-N98 PolarHBondContact O-N 2.89Å; N98-L110 HydrophobicContact CB-CD1 4.47Å; N98-T113 PolarHBondContact ND2-O 2.89Å; N98-T113 VanDerWaalsContact OD1-CB 3.29Å; N98-T113 WeakPolarHBondContact OD1-CB 3.41Å; N98-T113 WeakPolarHBondContact OD1-CG2 3.18Å; N98-M114 PolarHBondContact OD1-N 2.89Å |
| 99 | N | 54 | Low | 63.4 | Low | 42 Ų | 42 | 60.9 Ų | 60.9 | 23% | 0.225 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -97.7 | -9.7 | -174.4 | -72.1 | -51.2 | 0 | 0 | 0 | 114.3 | L95 C96 V97 P144 L146 | L95-N99 PolarHBondContact O-ND2 2.91Å; C96-N99 PolarHBondContact O-N 3.27Å; C96-N99 VanDerWaalsContact O-N 3.1Å; V97-N99 PolarHBondContact O-N 3.45Å; V97-N99 VanDerWaalsContact O-N 3.1Å; N99-P144 PolarHBondContact OD1-O 3.43Å; N99-L146 PolarHBondContact ND2-N 3.5Å |
| 100 | A | 51.5 | Low | 61.9 | Low | 56 Ų | 56 | 62.5 Ų | 62.5 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -87.5 | -29.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C96 V97 S102 I288 | C96-A100 PolarHBondContact O-N 2.81Å; V97-A100 PolarHBondContact O-N 2.99Å; A100-S102 PolarHBondContact O-N 3.43Å; A100-I288 HydrophobicContact CB-CD1 3.59Å |
| 101 | M | 49.8 | Very low | 60.7 | Low | 87 Ų | 87 | 65.5 Ų | 65.5 | 43% | 0.429 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -81 | 104.2 | 172.4 | -61.8 | -61.6 | -66.5 | 0 | 0 | 109.7 | ||
| 102 | S | 44 | Very low | 59.5 | Low | 65 Ų | 65 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | trans | -59.1 | 141.9 | 166.1 | -70.9 | 0 | 0 | 0 | 0 | 109.8 | A100 E104 | A100-S102 PolarHBondContact O-N 3.43Å; S102-E104 PolarHBondContact O-N 3.21Å | ||
| 103 | A | 45.8 | Very low | 58.5 | Low | 88 Ų | 88 | 67.3 Ų | 67.3 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 21.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 104 | E | 46.9 | Very low | 57.9 | Low | 180 Ų | 180 | 71.9 Ų | 71.9 | 84% | 0.841 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -26.5 | -174.1 | -61.3 | -178.1 | 162.4 | 0 | 0 | 112.4 | S102 | S102-E104 PolarHBondContact O-N 3.21Š|
| 105 | D | 47.2 | Very low | 57.7 | Low | 129 Ų | 129 | 77 Ų | 77 | 69% | 0.69 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -90.6 | -41.3 | -168.2 | -74.9 | -49.7 | 0 | 0 | 0 | 116 | ||
| 106 | E | 49.4 | Very low | 57.8 | Low | 105 Ų | 105 | 79.8 Ų | 79.8 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | trans | -163.3 | 111.2 | 174.7 | -104.8 | -84.2 | 172.5 | 0 | 0 | 111 | Q108 | E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 2.86Å | ||
| 107 | P | 55.3 | Low | 58.2 | Low | 99 Ų | 99 | 78.1 Ų | 78.1 | 64% | 0.643 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -73.9 | -17.9 | -173.6 | 28.4 | -34.9 | 0 | 0 | 0 | 114.4 | ||
| 108 | Q | 55 | Low | 59.1 | Low | 145 Ų | 145 | 79.7 Ų | 79.7 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -76.1 | -33.1 | -174.2 | -57.7 | -168.4 | 2.1 | 0 | 0 | 112.6 | E106 | E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 2.86Å |
| 109 | H | 55 | Low | 60.4 | Low | 98 Ų | 98 | 84.3 Ų | 84.3 | 45% | 0.454 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.1 | -28.9 | 177.8 | -79.3 | -82.3 | 0 | 0 | 0 | 113.3 | T113 | H109-T113 PolarHBondContact O-N 2.82Å; H109-T113 VanDerWaalsContact O-N 3.14Å; H109-T113 PolarHBondContact O-OG1 3.09Å |
| 110 | L | 57.5 | Low | 61.8 | Low | 63 Ų | 63 | 83 Ų | 83 | 33% | 0.33 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 175.3 | -174.3 | 63.6 | 0 | 0 | 0 | 111.2 | N98 F112 T113 M114 | N98-L110 HydrophobicContact CB-CD1 4.47Å; L110-F112 VanDerWaalsContact C-N 3.34Å; L110-F112 PolarHBondContact O-N 3.31Å; L110-T113 PolarHBondContact O-N 3.03Å; L110-M114 WeakPolarHBondContact O-CB 3.34Å; L110-M114 PolarHBondContact O-N 2.89Å |
| 111 | E | 61.8 | Low | 63.4 | Low | 110 Ų | 110 | 80.8 Ų | 80.8 | 51% | 0.514 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 179.8 | -154 | -160.3 | 178.5 | 0 | 0 | 112.3 | R115 | E111-R115 VanDerWaalsContact CD-CZ 3.47Å; E111-R115 WeakPolarHBondContact O-CD 3.4Å; E111-R115 VanDerWaalsContact O-CG 3.26Å; E111-R115 WeakPolarHBondContact O-CG 3.28Å; E111-R115 PolarHBondContact O-N 2.88Å; E111-R115 IonicContact OE1-CZ 2.7Å; E111-R115 IonicContact OE1-NE 3.87Å; E111-R115 IonicContact OE1-NH2 3.7Å; E111-R115 PolarHBondContact OE1-NH2 2.9Å; E111-R115 IonicContact OE2-CZ 3.71Å; E111-R115 IonicContact OE2-NH1 3.81Å; E111-R115 IonicContact OE2-NH2 2.69Å; E111-R115 PolarHBondContact OE2-NH2 3.12Å |
| 112 | F | 61.9 | Low | 65.1 | Low | 31 Ų | 31 | 82.4 Ų | 82.4 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 174.1 | -173.4 | -88.1 | 0 | 0 | 0 | 111.7 | L110 M114 R115 E116 L291 S292 Y294 | L110-F112 VanDerWaalsContact C-N 3.34Å; L110-F112 PolarHBondContact O-N 3.31Å; F112-M114 VanDerWaalsContact C-N 3.35Å; F112-M114 PolarHBondContact O-N 3.05Å; F112-R115 WeakPolarHBondContact O-CB 3.46Å; F112-R115 PolarHBondContact O-N 2.87Å; F112-E116 HydrophobicContact CE1-CG 4.06Å; F112-E116 WeakPolarHBondContact CE1-OE1 3.22Å; F112-E116 WeakPolarHBondContact CZ-OE1 3.3Å; F112-E116 PolarHBondContact O-N 3.46Å; F112-E116 VanDerWaalsContact O-N 3.16Å; F112-L291 HydrophobicContact CD1-CB 4.4Å; F112-L291 HydrophobicContact CD1-CD2 4.14Å; F112-L291 HydrophobicContact CE1-CD2 4.22Å; F112-S292 WeakPolarHBondContact CD1-O 2.99Å; F112-S292 VanDerWaalsContact CE1-O 3.22Å; F112-S292 WeakPolarHBondContact CE1-O 3.4Å; F112-S292 VanDerWaalsContact CZ-O 3.25Å; F112-S292 WeakPolarHBondContact CZ-O 3.44Å; F112-S292 WeakPolarHBondContact CZ-OG 3.39Å; F112-Y294 HydrophobicContact CE2-CD2 4.46Å; F112-Y294 HydrophobicContact CE2-CE2 4.11Å |
| 113 | T | 64.7 | Low | 67 | Low | 9 Ų | 9 | 81.6 Ų | 81.6 | 6% | 0.055 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.3 | -32.7 | -177.9 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | V97 N98 H109 L110 A117 L291 | V97-T113 HydrophobicContact CB-CG2 4.31Å; V97-T113 HydrophobicContact CG1-CG2 4.23Å; N98-T113 PolarHBondContact ND2-O 2.89Å; N98-T113 VanDerWaalsContact OD1-CB 3.29Å; N98-T113 WeakPolarHBondContact OD1-CB 3.41Å; N98-T113 WeakPolarHBondContact OD1-CG2 3.18Å; H109-T113 PolarHBondContact O-N 2.82Å; H109-T113 VanDerWaalsContact O-N 3.14Å; H109-T113 PolarHBondContact O-OG1 3.09Å; L110-T113 PolarHBondContact O-N 3.03Å; T113-A117 PolarHBondContact O-N 3.2Å; T113-L291 HydrophobicContact CG2-CD1 3.46Å; T113-L291 VanDerWaalsContact CG2-CD1 3.46Å; T113-L291 HydrophobicContact CG2-CD2 3.73Å; T113-L291 HydrophobicContact CG2-CG 4.19Å |
| 114 | M | 70.1 | Confident | 68.9 | Low | 106 Ų | 106 | 77.4 Ų | 77.4 | 52% | 0.522 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 172.9 | -171.3 | 173.6 | -177.3 | 0 | 0 | 111.9 | N98 L110 F112 A117 V118 | N98-M114 PolarHBondContact OD1-N 2.89Å; L110-M114 WeakPolarHBondContact O-CB 3.34Å; L110-M114 PolarHBondContact O-N 2.89Å; F112-M114 VanDerWaalsContact C-N 3.35Å; F112-M114 PolarHBondContact O-N 3.05Å; M114-A117 PolarHBondContact O-N 2.91Å; M114-V118 WeakPolarHBondContact O-CG2 3.21Å; M114-V118 PolarHBondContact O-N 3.24Å; M114-V118 VanDerWaalsContact O-N 3.1Å |
| 115 | R | 76.1 | Confident | 70.8 | Confident | 124 Ų | 124 | 73.9 Ų | 73.9 | 47% | 0.468 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 175.5 | -70.3 | 164.9 | -175.8 | 159 | -0.5 | 112 | E111 F112 V118 Q119 | E111-R115 VanDerWaalsContact CD-CZ 3.47Å; E111-R115 WeakPolarHBondContact O-CD 3.4Å; E111-R115 VanDerWaalsContact O-CG 3.26Å; E111-R115 WeakPolarHBondContact O-CG 3.28Å; E111-R115 PolarHBondContact O-N 2.88Å; E111-R115 IonicContact OE1-CZ 2.7Å; E111-R115 IonicContact OE1-NE 3.87Å; E111-R115 IonicContact OE1-NH2 3.7Å; E111-R115 PolarHBondContact OE1-NH2 2.9Å; E111-R115 IonicContact OE2-CZ 3.71Å; E111-R115 IonicContact OE2-NH1 3.81Å; E111-R115 IonicContact OE2-NH2 2.69Å; E111-R115 PolarHBondContact OE2-NH2 3.12Å; F112-R115 WeakPolarHBondContact O-CB 3.46Å; F112-R115 PolarHBondContact O-N 2.87Å; R115-V118 PolarHBondContact O-N 3.13Å; R115-Q119 WeakPolarHBondContact O-CB 3.42Å; R115-Q119 VanDerWaalsContact O-CG 3.28Å; R115-Q119 WeakPolarHBondContact O-CG 3.48Å; R115-Q119 PolarHBondContact O-N 3.12Å |
| 116 | E | 75.6 | Confident | 72.6 | Confident | 66 Ų | 66 | 74.1 Ų | 74.1 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 176.6 | -73.5 | -162.9 | 179.1 | 0 | 0 | 112.5 | F112 V118 Q119 C120 L291 | F112-E116 HydrophobicContact CE1-CG 4.06Å; F112-E116 WeakPolarHBondContact CE1-OE1 3.22Å; F112-E116 WeakPolarHBondContact CZ-OE1 3.3Å; F112-E116 PolarHBondContact O-N 3.46Å; F112-E116 VanDerWaalsContact O-N 3.16Å; E116-V118 PolarHBondContact O-N 3.23Å; E116-Q119 PolarHBondContact O-N 3.34Å; E116-C120 WeakPolarHBondContact O-CB 3.49Å; E116-C120 PolarHBondContact O-N 2.93Å; E116-C120 PolarHBondContact O-SG 3.04Å; E116-L291 HydrophobicContact CG-CD2 4.42Å; E116-L291 VanDerWaalsContact OE2-CD2 3.25Å; E116-L291 WeakPolarHBondContact OE2-CD2 3.43Å |
| 117 | A | 80.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F91 A94 T113 M114 C120 L121 L141 | F91-A117 WeakPolarHBondContact CD2-O 3.38Å; A94-A117 HydrophobicContact CB-CB 4.02Å; T113-A117 PolarHBondContact O-N 3.2Å; M114-A117 PolarHBondContact O-N 2.91Å; A117-C120 PolarHBondContact O-N 3.23Å; A117-L121 PolarHBondContact O-N 2.99Å; A117-L141 HydrophobicContact CB-CD2 4.46Å |
| 118 | V | 83.1 | Confident | 75.5 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 176 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | M114 R115 E116 L121 H122 L141 | M114-V118 WeakPolarHBondContact O-CG2 3.21Å; M114-V118 PolarHBondContact O-N 3.24Å; M114-V118 VanDerWaalsContact O-N 3.1Å; R115-V118 PolarHBondContact O-N 3.13Å; E116-V118 PolarHBondContact O-N 3.23Å; V118-L121 PolarHBondContact O-N 2.91Å; V118-H122 PolarHBondContact O-CD2 2.82Å; V118-H122 VanDerWaalsContact O-CD2 3.28Å; V118-H122 PolarHBondContact O-N 2.81Å; V118-L141 HydrophobicContact CG2-CD1 4.13Å; V118-L141 HydrophobicContact CG2-CD2 4.25Å |
| 119 | Q | 83.3 | Confident | 76.8 | Confident | 121 Ų | 121 | 63.9 Ų | 63.9 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 174.2 | -73.1 | 172.4 | 12.7 | 0 | 0 | 112 | R115 E116 L121 H122 A123 | R115-Q119 WeakPolarHBondContact O-CB 3.42Å; R115-Q119 VanDerWaalsContact O-CG 3.28Å; R115-Q119 WeakPolarHBondContact O-CG 3.48Å; R115-Q119 PolarHBondContact O-N 3.12Å; E116-Q119 PolarHBondContact O-N 3.34Å; Q119-L121 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 2.91Å; Q119-H122 PolarHBondContact O-N 2.99Å; Q119-A123 WeakPolarHBondContact O-CB 3.42Å; Q119-A123 PolarHBondContact O-N 3.14Å |
| 120 | C | 83.8 | Confident | 78.2 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 10% | 0.095 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 175.2 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | F91 E116 A117 A123 L124 | F91-C120 HydrophobicContact CB-CB 4.46Å; E116-C120 WeakPolarHBondContact O-CB 3.49Å; E116-C120 PolarHBondContact O-N 2.93Å; E116-C120 PolarHBondContact O-SG 3.04Å; A117-C120 PolarHBondContact O-N 3.23Å; C120-A123 PolarHBondContact O-N 2.62Å; C120-L124 WeakPolarHBondContact O-CB 3.29Å; C120-L124 PolarHBondContact O-N 2.93Å; C120-L124 VanDerWaalsContact O-N 3.08Å |
| 121 | L | 85.5 | Confident | 79.4 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 176.4 | -174.9 | 61 | 0 | 0 | 0 | 112.2 | F91 A117 V118 Q119 A123 L124 E125 Y134 L137 L141 | F91-L121 HydrophobicContact CD2-CB 4.04Å; F91-L121 HydrophobicContact CE1-CD1 4.26Å; F91-L121 HydrophobicContact CE2-CB 3.73Å; F91-L121 HydrophobicContact CE2-CD1 4.12Å; F91-L121 HydrophobicContact CE2-CD2 4.24Å; F91-L121 HydrophobicContact CE2-CG 4.25Å; F91-L121 HydrophobicContact CZ-CB 4.37Å; F91-L121 HydrophobicContact CZ-CD1 3.94Å; F91-L121 HydrophobicContact CZ-CD2 4.2Å; F91-L121 HydrophobicContact CZ-CG 4.4Å; A117-L121 PolarHBondContact O-N 2.99Å; V118-L121 PolarHBondContact O-N 2.91Å; Q119-L121 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 2.91Å; L121-A123 VanDerWaalsContact C-N 3.29Å; L121-A123 PolarHBondContact O-N 3.26Å; L121-L124 WeakPolarHBondContact O-CA 3.47Å; L121-L124 WeakPolarHBondContact O-CB 3.43Å; L121-L124 PolarHBondContact O-N 2.94Å; L121-E125 PolarHBondContact O-N 3.22Å; L121-Y134 HydrophobicContact CD1-CD2 4.07Å; L121-Y134 HydrophobicContact CD1-CE2 3.6Å; L121-Y134 HydrophobicContact CG-CE2 3.83Å; L121-L137 HydrophobicContact CD1-CB 3.79Å; L121-L141 HydrophobicContact CD2-CD1 3.38Å; L121-L141 HydrophobicContact CD2-CG 4.34Å |
| 122 | H | 85.3 | Confident | 80.4 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 56% | 0.56 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.8 | -38.6 | 175.7 | -76 | -55.2 | 0 | 0 | 0 | 112.4 | V118 Q119 L124 E125 | V118-H122 PolarHBondContact O-CD2 2.82Å; V118-H122 VanDerWaalsContact O-CD2 3.28Å; V118-H122 PolarHBondContact O-N 2.81Å; Q119-H122 PolarHBondContact O-N 2.99Å; H122-L124 PolarHBondContact O-N 3.24Å; H122-E125 WeakPolarHBondContact O-CB 3.26Å; H122-E125 PolarHBondContact O-N 2.55Å |
| 123 | A | 84.3 | Confident | 81.4 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.7 | -25.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M87 Q119 C120 L121 Y127 | M87-A123 HydrophobicContact CE-CB 3.67Å; Q119-A123 WeakPolarHBondContact O-CB 3.42Å; Q119-A123 PolarHBondContact O-N 3.14Å; C120-A123 PolarHBondContact O-N 2.62Å; L121-A123 VanDerWaalsContact C-N 3.29Å; L121-A123 PolarHBondContact O-N 3.26Å; A123-Y127 VanDerWaalsContact O-CD2 3.23Å; A123-Y127 WeakPolarHBondContact O-CD2 3.23Å; A123-Y127 WeakPolarHBondContact O-CE2 3.31Å |
| 124 | L | 86 | Confident | 82.5 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -79.7 | -24.7 | 179.9 | -167.6 | 155.3 | 0 | 0 | 0 | 112.6 | Y84 M87 K88 F91 C120 L121 H122 E126 Y127 C128 L137 | Y84-L124 HydrophobicContact CD2-CD2 4.09Å; Y84-L124 HydrophobicContact CD2-CG 4.46Å; Y84-L124 HydrophobicContact CE2-CD2 3.98Å; M87-L124 HydrophobicContact CB-CD1 4.18Å; M87-L124 HydrophobicContact CB-CG 4.38Å; K88-L124 HydrophobicContact CB-CD1 4.22Å; F91-L124 HydrophobicContact CB-CD1 4.38Å; C120-L124 WeakPolarHBondContact O-CB 3.29Å; C120-L124 PolarHBondContact O-N 2.93Å; C120-L124 VanDerWaalsContact O-N 3.08Å; L121-L124 WeakPolarHBondContact O-CA 3.47Å; L121-L124 WeakPolarHBondContact O-CB 3.43Å; L121-L124 PolarHBondContact O-N 2.94Å; H122-L124 PolarHBondContact O-N 3.24Å; L124-E126 VanDerWaalsContact C-N 3.27Å; L124-E126 PolarHBondContact O-N 3.42Å; L124-Y127 PolarHBondContact O-N 2.94Å; L124-C128 HydrophobicContact CD2-CB 4.34Å; L124-C128 PolarHBondContact O-N 2.98Å; L124-L137 HydrophobicContact CD1-CD1 4.07Å; L124-L137 HydrophobicContact CD2-CD1 3.45Å; L124-L137 VanDerWaalsContact CD2-CD1 3.45Å; L124-L137 HydrophobicContact CG-CD1 4.46Å |
| 125 | E | 85.8 | Confident | 83.2 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -51.7 | -42.1 | -179.2 | -166.7 | 168.8 | 158.4 | 0 | 0 | 113 | L121 H122 Y127 Y134 | L121-E125 PolarHBondContact O-N 3.22Å; H122-E125 WeakPolarHBondContact O-CB 3.26Å; H122-E125 PolarHBondContact O-N 2.55Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 PolarHBondContact O-N 3.18Å; E125-Y134 HydrophobicContact CB-CD2 4.39Å; E125-Y134 HydrophobicContact CB-CE1 4.11Å; E125-Y134 HydrophobicContact CB-CE2 3.75Å; E125-Y134 HydrophobicContact CG-CD1 4.03Å; E125-Y134 HydrophobicContact CG-CD2 4.49Å; E125-Y134 HydrophobicContact CG-CE1 3.53Å; E125-Y134 HydrophobicContact CG-CE2 4.08Å; E125-Y134 HydrophobicContact CG-CG 4.48Å; E125-Y134 VanDerWaalsContact OE2-CE1 3.27Å; E125-Y134 WeakPolarHBondContact OE2-CE1 3.24Å; E125-Y134 PolarHBondContact OE2-OH 3.26Å |
| 126 | E | 84.4 | Confident | 83.6 | Confident | 134 Ų | 134 | 66.5 Ų | 66.5 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -35.2 | 177.2 | -178.4 | 178.5 | -152.4 | 0 | 0 | 112.8 | K80 L124 | K80-E126 PolarHBondContact NZ-O 3.35Å; L124-E126 VanDerWaalsContact C-N 3.27Å; L124-E126 PolarHBondContact O-N 3.42Å |
| 127 | Y | 84.4 | Confident | 84.1 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -10.7 | -173.1 | -56.4 | -77 | 0 | 0 | 0 | 113.5 | K80 R83 A123 L124 E125 | K80-Y127 WeakPolarHBondContact CE-O 3.42Å; K80-Y127 HydrophobicContact CG-CD1 4.43Å; R83-Y127 HydrophobicContact CB-CD1 3.6Å; R83-Y127 HydrophobicContact CB-CE1 4.04Å; R83-Y127 HydrophobicContact CB-CG 3.95Å; R83-Y127 HydrophobicContact CG-CD1 4.32Å; R83-Y127 HydrophobicContact CG-CE1 4.27Å; R83-Y127 PolarHBondContact NH1-OH 3.26Å; A123-Y127 VanDerWaalsContact O-CD2 3.23Å; A123-Y127 WeakPolarHBondContact O-CD2 3.23Å; A123-Y127 WeakPolarHBondContact O-CE2 3.31Å; L124-Y127 PolarHBondContact O-N 2.94Å; E125-Y127 VanDerWaalsContact C-N 3.32Å; E125-Y127 PolarHBondContact O-N 3.18Å |
| 128 | C | 82.9 | Confident | 84.3 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 7% | 0.074 | 34% | 0.34 | C | S | . | . | trans | -59.2 | 139.7 | -179.7 | -136.9 | 0 | 0 | 0 | 0 | 112.1 | K80 L124 Y134 | K80-C128 VanDerWaalsContact CE-O 3.29Å; K80-C128 WeakPolarHBondContact CE-O 3.22Å; K80-C128 PolarHBondContact NZ-O 3.3Å; L124-C128 HydrophobicContact CD2-CB 4.34Å; L124-C128 PolarHBondContact O-N 2.98Å; C128-Y134 PolarHBondContact SG-N 3.16Å; C128-Y134 VanDerWaalsContact SG-N 3.43Å | ||
| 129 | P | 80.8 | Confident | 84.3 | Confident | 85 Ų | 85 | 68 Ų | 68 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -79.5 | -26.7 | -179.9 | 30.7 | -35.2 | 0 | 0 | 0 | 113.3 | Y84 | Y84-P129 HydrophobicContact CE1-CG 4.18Å; Y84-P129 HydrophobicContact CE2-CG 4.47Å |
| 130 | S | 85.1 | Confident | 84.3 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | trans | -142.6 | 163.8 | 178.1 | 78.9 | 0 | 0 | 0 | 0 | 111 | E132 D133 Y134 | S130-E132 VanDerWaalsContact C-N 3.34Å; S130-E132 WeakPolarHBondContact CB-OE2 3.35Å; S130-D133 WeakPolarHBondContact OG-CB 3.3Å; S130-D133 PolarHBondContact OG-N 3.21Å; S130-D133 PolarHBondContact OG-OD2 3.07Å; S130-Y134 PolarHBondContact O-N 3.15Å | ||
| 131 | K | 82.8 | Confident | 84.1 | Confident | 176 Ų | 176 | 64.5 Ų | 64.5 | 77% | 0.765 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -76.9 | -29.5 | 174.4 | -70.5 | -169.4 | 174.3 | -170.3 | 0 | 111.3 | Y134 S135 | K131-Y134 PolarHBondContact O-N 3.39Å; K131-S135 WeakPolarHBondContact O-CB 3.35Å; K131-S135 PolarHBondContact O-N 3.47Å |
| 132 | E | 83.4 | Confident | 83.7 | Confident | 128 Ų | 128 | 68.6 Ų | 68.6 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 177 | -64.6 | 66.4 | -152.5 | 0 | 0 | 110.3 | S130 S135 K136 | S130-E132 VanDerWaalsContact C-N 3.34Å; S130-E132 WeakPolarHBondContact CB-OE2 3.35Å; E132-S135 WeakPolarHBondContact O-CB 3.29Å; E132-S135 PolarHBondContact O-N 3.16Å; E132-K136 WeakPolarHBondContact O-CG 3.22Å; E132-K136 PolarHBondContact O-N 3.27Å |
| 133 | D | 82 | Confident | 83.1 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 23% | 0.225 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.9 | -32.6 | 177 | -63.1 | -48.2 | 0 | 0 | 0 | 112.6 | S130 K136 L137 | S130-D133 WeakPolarHBondContact OG-CB 3.3Å; S130-D133 PolarHBondContact OG-N 3.21Å; S130-D133 PolarHBondContact OG-OD2 3.07Å; D133-K136 PolarHBondContact O-N 3.33Å; D133-K136 IonicContact OD1-NZ 3.92Å; D133-K136 PolarHBondContact OD1-NZ 2.89Å; D133-L137 WeakPolarHBondContact O-CG 3.41Å; D133-L137 PolarHBondContact O-N 3.32Å; D133-L137 VanDerWaalsContact O-N 3.14Å |
| 134 | Y | 87.5 | Confident | 82.3 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 14% | 0.141 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 170.2 | -172.6 | -126.7 | 0 | 0 | 0 | 110.8 | L121 E125 C128 S130 K131 K136 L137 C138 | L121-Y134 HydrophobicContact CD1-CD2 4.07Å; L121-Y134 HydrophobicContact CD1-CE2 3.6Å; L121-Y134 HydrophobicContact CG-CE2 3.83Å; E125-Y134 HydrophobicContact CB-CD2 4.39Å; E125-Y134 HydrophobicContact CB-CE1 4.11Å; E125-Y134 HydrophobicContact CB-CE2 3.75Å; E125-Y134 HydrophobicContact CG-CD1 4.03Å; E125-Y134 HydrophobicContact CG-CD2 4.49Å; E125-Y134 HydrophobicContact CG-CE1 3.53Å; E125-Y134 HydrophobicContact CG-CE2 4.08Å; E125-Y134 HydrophobicContact CG-CG 4.48Å; E125-Y134 VanDerWaalsContact OE2-CE1 3.27Å; E125-Y134 WeakPolarHBondContact OE2-CE1 3.24Å; E125-Y134 PolarHBondContact OE2-OH 3.26Å; C128-Y134 PolarHBondContact SG-N 3.16Å; C128-Y134 VanDerWaalsContact SG-N 3.43Å; S130-Y134 PolarHBondContact O-N 3.15Å; K131-Y134 PolarHBondContact O-N 3.39Å; Y134-K136 VanDerWaalsContact C-N 3.32Å; Y134-K136 PolarHBondContact O-N 2.81Å; Y134-L137 PolarHBondContact O-N 3.5Å; Y134-C138 PolarHBondContact O-N 3.5Å; Y134-C138 PolarHBondContact O-SG 3.14Å |
| 135 | S | 85.5 | Confident | 81.4 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 175.8 | -168.5 | 0 | 0 | 0 | 0 | 112.8 | K131 E132 C138 L139 | K131-S135 WeakPolarHBondContact O-CB 3.35Å; K131-S135 PolarHBondContact O-N 3.47Å; E132-S135 WeakPolarHBondContact O-CB 3.29Å; E132-S135 PolarHBondContact O-N 3.16Å; S135-C138 WeakPolarHBondContact O-CB 3.26Å; S135-C138 PolarHBondContact O-N 2.87Å; S135-L139 PolarHBondContact O-N 3.4Å |
| 136 | K | 84.6 | Confident | 80.8 | Confident | 101 Ų | 101 | 69.5 Ų | 69.5 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 171.3 | -67.7 | 171.6 | -163 | 165.5 | 0 | 112.1 | E132 D133 Y134 L139 L140 | E132-K136 WeakPolarHBondContact O-CG 3.22Å; E132-K136 PolarHBondContact O-N 3.27Å; D133-K136 PolarHBondContact O-N 3.33Å; D133-K136 IonicContact OD1-NZ 3.92Å; D133-K136 PolarHBondContact OD1-NZ 2.89Å; Y134-K136 VanDerWaalsContact C-N 3.32Å; Y134-K136 PolarHBondContact O-N 2.81Å; K136-L139 WeakPolarHBondContact O-CB 3.38Å; K136-L139 PolarHBondContact O-N 3.14Å; K136-L140 PolarHBondContact O-N 2.83Å |
| 137 | L | 85.4 | Confident | 80.3 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 178.7 | -66.1 | 171.9 | 0 | 0 | 0 | 111.7 | Y84 F91 L121 L124 D133 Y134 L139 L140 | Y84-L137 HydrophobicContact CE2-CD1 4.49Å; F91-L137 HydrophobicContact CD1-CD2 4.07Å; F91-L137 HydrophobicContact CE1-CB 3.91Å; F91-L137 HydrophobicContact CE1-CD2 3.9Å; F91-L137 HydrophobicContact CE1-CG 4.44Å; F91-L137 WeakPolarHBondContact CZ-O 3.42Å; L121-L137 HydrophobicContact CD1-CB 3.79Å; L124-L137 HydrophobicContact CD1-CD1 4.07Å; L124-L137 HydrophobicContact CD2-CD1 3.45Å; L124-L137 VanDerWaalsContact CD2-CD1 3.45Å; L124-L137 HydrophobicContact CG-CD1 4.46Å; D133-L137 WeakPolarHBondContact O-CG 3.41Å; D133-L137 PolarHBondContact O-N 3.32Å; D133-L137 VanDerWaalsContact O-N 3.14Å; Y134-L137 PolarHBondContact O-N 3.5Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 2.85Å; L137-L140 HydrophobicContact CD2-CD1 4.08Å; L137-L140 WeakPolarHBondContact O-CB 3.44Å; L137-L140 PolarHBondContact O-N 3.03Å |
| 138 | C | 84.4 | Confident | 79.8 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 31% | 0.311 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 170 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | Y134 S135 L140 L141 | Y134-C138 PolarHBondContact O-N 3.5Å; Y134-C138 PolarHBondContact O-SG 3.14Å; S135-C138 WeakPolarHBondContact O-CB 3.26Å; S135-C138 PolarHBondContact O-N 2.87Å; C138-L140 VanDerWaalsContact C-N 3.27Å; C138-L140 PolarHBondContact O-N 3.24Å; C138-L141 PolarHBondContact O-N 2.81Å |
| 139 | L | 84.2 | Confident | 79.7 | Confident | 91 Ų | 91 | 71 Ų | 71 | 48% | 0.476 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -33.9 | 176.7 | -173.8 | 68.1 | 0 | 0 | 0 | 112 | S135 K136 L137 L141 T142 | S135-L139 PolarHBondContact O-N 3.4Å; K136-L139 WeakPolarHBondContact O-CB 3.38Å; K136-L139 PolarHBondContact O-N 3.14Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 2.85Å; L139-L141 VanDerWaalsContact C-N 3.27Å; L139-L141 PolarHBondContact O-N 3.28Å; L139-T142 WeakPolarHBondContact O-CB 3.48Å; L139-T142 PolarHBondContact O-N 3.07Å; L139-T142 PolarHBondContact O-OG1 2.89Å |
| 140 | L | 82.4 | Confident | 79.5 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.2 | -27.9 | 179.8 | -58.8 | -179.3 | 0 | 0 | 0 | 113.4 | L92 L95 K136 L137 C138 T142 L143 L146 H149 F152 | L92-L140 HydrophobicContact CD2-CD1 3.77Å; L95-L140 HydrophobicContact CD1-CB 3.7Å; L95-L140 HydrophobicContact CD1-CD1 4.29Å; K136-L140 PolarHBondContact O-N 2.83Å; L137-L140 HydrophobicContact CD2-CD1 4.08Å; L137-L140 WeakPolarHBondContact O-CB 3.44Å; L137-L140 PolarHBondContact O-N 3.03Å; C138-L140 VanDerWaalsContact C-N 3.27Å; C138-L140 PolarHBondContact O-N 3.24Å; L140-T142 PolarHBondContact O-N 3.38Å; L140-L143 HydrophobicContact CD2-CD1 3.9Å; L140-L143 PolarHBondContact O-N 2.83Å; L140-L146 HydrophobicContact CD1-CD1 4.12Å; L140-L146 HydrophobicContact CD2-CD1 4.24Å; L140-H149 HydrophobicContact CD2-CB 4.12Å; L140-F152 HydrophobicContact CD1-CD2 4.29Å; L140-F152 HydrophobicContact CD1-CE2 3.68Å; L140-F152 HydrophobicContact CD1-CZ 4.13Å; L140-F152 HydrophobicContact CD2-CD2 4.04Å; L140-F152 HydrophobicContact CD2-CE2 3.99Å; L140-F152 HydrophobicContact CG-CE2 4.47Å |
| 141 | L | 78.9 | Confident | 79.1 | Confident | 56 Ų | 56 | 76.3 Ų | 76.3 | 29% | 0.293 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.3 | 171.6 | -78.5 | 169.9 | 0 | 0 | 0 | 113.3 | F91 L95 A117 V118 L121 C138 L139 | F91-L141 HydrophobicContact CE2-CD2 4.43Å; F91-L141 HydrophobicContact CE2-CG 4.33Å; F91-L141 HydrophobicContact CZ-CG 4.26Å; L95-L141 HydrophobicContact CD2-CD2 3.78Å; L95-L141 HydrophobicContact CD2-CG 4.37Å; A117-L141 HydrophobicContact CB-CD2 4.46Å; V118-L141 HydrophobicContact CG2-CD1 4.13Å; V118-L141 HydrophobicContact CG2-CD2 4.25Å; L121-L141 HydrophobicContact CD2-CD1 3.38Å; L121-L141 HydrophobicContact CD2-CG 4.34Å; C138-L141 PolarHBondContact O-N 2.81Å; L139-L141 VanDerWaalsContact C-N 3.27Å; L139-L141 PolarHBondContact O-N 3.28Å |
| 142 | T | 77.6 | Confident | 79 | Confident | 96 Ų | 96 | 69 Ų | 69 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.8 | -179.9 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | L139 L140 | L139-T142 WeakPolarHBondContact O-CB 3.48Å; L139-T142 PolarHBondContact O-N 3.07Å; L139-T142 PolarHBondContact O-OG1 2.89Å; L140-T142 PolarHBondContact O-N 3.38Å |
| 143 | L | 73.6 | Confident | 78.6 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | trans | -93.6 | 126.7 | -175.7 | -63.7 | -180 | 0 | 0 | 0 | 111.5 | L140 R145 H149 | L140-L143 HydrophobicContact CD2-CD1 3.9Å; L140-L143 PolarHBondContact O-N 2.83Å; L143-R145 PolarHBondContact O-N 2.89Å; L143-H149 HydrophobicContact CD1-CB 3.75Å | ||
| 144 | P | 66.3 | Low | 78.1 | Confident | 104 Ų | 104 | 73.7 Ų | 73.7 | 68% | 0.675 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -64.3 | -12.1 | 179.3 | -25 | 34.6 | 0 | 0 | 0 | 116 | N99 | N99-P144 PolarHBondContact OD1-O 3.43Š|
| 145 | R | 67 | Low | 77.7 | Confident | 138 Ų | 138 | 74.2 Ų | 74.2 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -153.6 | 137.7 | 168.9 | -67.2 | -167.4 | 171.1 | 165.5 | -2.1 | 109.1 | L143 T147 N148 | L143-R145 PolarHBondContact O-N 2.89Å; R145-T147 PolarHBondContact O-N 2.95Å; R145-N148 VanDerWaalsContact O-CB 3.29Å; R145-N148 WeakPolarHBondContact O-CB 3.49Å; R145-N148 PolarHBondContact O-N 2.75Å |
| 146 | L | 74.8 | Confident | 77.3 | Confident | 11 Ų | 11 | 73.3 Ų | 73.3 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -56.3 | -37.8 | 176.7 | -178.8 | 60.9 | 0 | 0 | 0 | 112.6 | L92 N99 L140 N148 H149 F152 W155 | L92-L146 HydrophobicContact CD2-CD1 4.04Å; L92-L146 HydrophobicContact CD2-CD2 4.29Å; N99-L146 PolarHBondContact ND2-N 3.5Å; L140-L146 HydrophobicContact CD1-CD1 4.12Å; L140-L146 HydrophobicContact CD2-CD1 4.24Å; L146-N148 PolarHBondContact O-N 2.87Å; L146-N148 VanDerWaalsContact O-N 3.14Å; L146-H149 PolarHBondContact O-N 2.87Å; L146-H149 VanDerWaalsContact O-N 3.12Å; L146-F152 HydrophobicContact CD1-CB 3.98Å; L146-F152 HydrophobicContact CD1-CD1 4.39Å; L146-F152 HydrophobicContact CD1-CD2 3.93Å; L146-F152 HydrophobicContact CD1-CG 3.85Å; L146-F152 HydrophobicContact CG-CB 3.89Å; L146-F152 HydrophobicContact CG-CG 4.21Å; L146-W155 HydrophobicContact CD2-CD2 4.12Å; L146-W155 HydrophobicContact CD2-CE3 3.76Å; L146-W155 HydrophobicContact CD2-CZ3 3.99Å |
| 147 | T | 72.5 | Confident | 77 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 42% | 0.417 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -66.8 | -9.3 | 178.3 | 51.9 | 0 | 0 | 0 | 0 | 114.7 | R145 H149 | R145-T147 PolarHBondContact O-N 2.95Å; T147-H149 PolarHBondContact O-N 2.85Å |
| 148 | N | 75.4 | Confident | 76.6 | Confident | 101 Ų | 101 | 71.9 Ų | 71.9 | 54% | 0.54 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -74.5 | -14.6 | 172.3 | -63.5 | -9.6 | 0 | 0 | 0 | 112.2 | R145 L146 | R145-N148 VanDerWaalsContact O-CB 3.29Å; R145-N148 WeakPolarHBondContact O-CB 3.49Å; R145-N148 PolarHBondContact O-N 2.75Å; L146-N148 PolarHBondContact O-N 2.87Å; L146-N148 VanDerWaalsContact O-N 3.14Å |
| 149 | H | 79.3 | Confident | 76.2 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -85.7 | 133.5 | 172.9 | -163.7 | -109.2 | 0 | 0 | 0 | 110.9 | L140 L143 L146 T147 E151 F152 K153 | L140-H149 HydrophobicContact CD2-CB 4.12Å; L143-H149 HydrophobicContact CD1-CB 3.75Å; L146-H149 PolarHBondContact O-N 2.87Å; L146-H149 VanDerWaalsContact O-N 3.12Å; T147-H149 PolarHBondContact O-N 2.85Å; H149-E151 VanDerWaalsContact C-N 3.27Å; H149-E151 IonicContact CE1-OE2 3.49Å; H149-E151 PolarHBondContact CE1-OE2 3.01Å; H149-E151 IonicContact ND1-OE2 3.77Å; H149-E151 PolarHBondContact O-N 3.13Å; H149-F152 HydrophobicContact CB-CB 4.45Å; H149-F152 HydrophobicContact CB-CD2 3.97Å; H149-F152 AromaticContact CG-CD2 3.99Å; H149-F152 AromaticContact ND1-CD2 3.43Å; H149-F152 WeakPolarHBondContact ND1-CD2 3.45Å; H149-F152 AromaticContact ND1-CE2 3.78Å; H149-F152 CarbonylContact O-C 3.58Å; H149-F152 PolarHBondContact O-N 2.94Å; H149-K153 PolarHBondContact O-N 2.83Å; H149-K153 VanDerWaalsContact O-N 3.14Å |
| 150 | A | 77.2 | Confident | 76.2 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 79% | 0.785 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -57.7 | -36.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F152 | A150-F152 VanDerWaalsContact C-N 3.31Å; A150-F152 PolarHBondContact O-N 2.84Å |
| 151 | E | 77.3 | Confident | 76.4 | Confident | 136 Ų | 136 | 68 Ų | 68 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -73.4 | -18.2 | 178.4 | -57.4 | 178.2 | 160.1 | 0 | 0 | 113.7 | H149 | H149-E151 VanDerWaalsContact C-N 3.27Å; H149-E151 IonicContact CE1-OE2 3.49Å; H149-E151 PolarHBondContact CE1-OE2 3.01Å; H149-E151 IonicContact ND1-OE2 3.77Å; H149-E151 PolarHBondContact O-N 3.13Å |
| 152 | F | 79.9 | Confident | 76.6 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 10% | 0.096 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -117.6 | 10 | -174.4 | -61.8 | -74.2 | 0 | 0 | 0 | 113.7 | L92 L140 L146 H149 A150 D154 W155 | L92-F152 HydrophobicContact CD1-CE1 3.81Å; L92-F152 HydrophobicContact CD1-CZ 4.3Å; L92-F152 HydrophobicContact CD2-CD1 4.39Å; L92-F152 HydrophobicContact CD2-CE1 3.85Å; L92-F152 HydrophobicContact CD2-CZ 3.96Å; L140-F152 HydrophobicContact CD1-CD2 4.29Å; L140-F152 HydrophobicContact CD1-CE2 3.68Å; L140-F152 HydrophobicContact CD1-CZ 4.13Å; L140-F152 HydrophobicContact CD2-CD2 4.04Å; L140-F152 HydrophobicContact CD2-CE2 3.99Å; L140-F152 HydrophobicContact CG-CE2 4.47Å; L146-F152 HydrophobicContact CD1-CB 3.98Å; L146-F152 HydrophobicContact CD1-CD1 4.39Å; L146-F152 HydrophobicContact CD1-CD2 3.93Å; L146-F152 HydrophobicContact CD1-CG 3.85Å; L146-F152 HydrophobicContact CG-CB 3.89Å; L146-F152 HydrophobicContact CG-CG 4.21Å; H149-F152 HydrophobicContact CB-CB 4.45Å; H149-F152 HydrophobicContact CB-CD2 3.97Å; H149-F152 AromaticContact CG-CD2 3.99Å; H149-F152 AromaticContact ND1-CD2 3.43Å; H149-F152 WeakPolarHBondContact ND1-CD2 3.45Å; H149-F152 AromaticContact ND1-CE2 3.78Å; H149-F152 CarbonylContact O-C 3.58Å; H149-F152 PolarHBondContact O-N 2.94Å; A150-F152 VanDerWaalsContact C-N 3.31Å; A150-F152 PolarHBondContact O-N 2.84Å; F152-D154 VanDerWaalsContact C-N 3.32Å; F152-D154 PolarHBondContact O-N 2.87Å; F152-W155 HydrophobicContact CB-CB 4.07Å; F152-W155 HydrophobicContact CD1-CB 4.11Å; F152-W155 AromaticContact CD1-CD1 3.71Å; F152-W155 AromaticContact CD1-CG 3.94Å; F152-W155 HydrophobicContact CD1-CG 3.94Å; F152-W155 VanDerWaalsContact O-CB 3.29Å; F152-W155 WeakPolarHBondContact O-CB 3.14Å; F152-W155 PolarHBondContact O-N 2.94Å; F152-W155 VanDerWaalsContact O-N 3.16Å |
| 153 | K | 74.5 | Confident | 76.9 | Confident | 134 Ų | 134 | 64.3 Ų | 64.3 | 58% | 0.583 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -45.9 | -178 | -175.5 | -165.4 | 169.6 | -151.5 | 0 | 113.2 | H149 | H149-K153 PolarHBondContact O-N 2.83Å; H149-K153 VanDerWaalsContact O-N 3.14Å |
| 154 | D | 71.4 | Confident | 77.6 | Confident | 135 Ų | 135 | 62.3 Ų | 62.3 | 72% | 0.722 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 15.8 | -177.7 | -49.3 | -59.4 | 0 | 0 | 0 | 111.8 | F152 | F152-D154 VanDerWaalsContact C-N 3.32Å; F152-D154 PolarHBondContact O-N 2.87Å |
| 155 | W | 80.4 | Confident | 78.6 | Confident | 48 Ų | 48 | 58 Ų | 58 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -71.6 | 134.6 | -179.7 | -176 | 96.6 | 0 | 0 | 0 | 111 | L92 E93 C96 L146 F152 P157 A160 | L92-W155 HydrophobicContact CB-CH2 4.25Å; L92-W155 HydrophobicContact CB-CZ2 3.74Å; E93-W155 HydrophobicContact CG-CH2 4.15Å; C96-W155 HydrophobicContact CB-CH2 4.19Å; C96-W155 HydrophobicContact CB-CZ3 3.76Å; L146-W155 HydrophobicContact CD2-CD2 4.12Å; L146-W155 HydrophobicContact CD2-CE3 3.76Å; L146-W155 HydrophobicContact CD2-CZ3 3.99Å; F152-W155 HydrophobicContact CB-CB 4.07Å; F152-W155 HydrophobicContact CD1-CB 4.11Å; F152-W155 AromaticContact CD1-CD1 3.71Å; F152-W155 AromaticContact CD1-CG 3.94Å; F152-W155 HydrophobicContact CD1-CG 3.94Å; F152-W155 VanDerWaalsContact O-CB 3.29Å; F152-W155 WeakPolarHBondContact O-CB 3.14Å; F152-W155 PolarHBondContact O-N 2.94Å; F152-W155 VanDerWaalsContact O-N 3.16Å; W155-P157 HydrophobicContact CH2-CB 4.23Å; W155-P157 HydrophobicContact CH2-CG 3.83Å; W155-P157 HydrophobicContact CZ3-CG 3.7Å; W155-A160 HydrophobicContact CZ2-CB 3.76Å | ||
| 156 | N | 75.5 | Confident | 79.5 | Confident | 58 Ų | 58 | 55.2 Ų | 55.2 | 31% | 0.31 | 30% | 0.295 | S | S | . | . | trans | -139.6 | 146.9 | 171.6 | 74.9 | 86.4 | 0 | 0 | 0 | 110 | S158 T159 A160 | N156-S158 VanDerWaalsContact C-N 3.35Å; N156-S158 PolarHBondContact O-N 3.44Å; N156-S158 PolarHBondContact OD1-N 3.07Å; N156-T159 WeakPolarHBondContact ND2-CB 3.46Å; N156-T159 PolarHBondContact ND2-OG1 3.34Å; N156-T159 PolarHBondContact O-N 3.39Å; N156-T159 PolarHBondContact OD1-N 2.78Å; N156-T159 PolarHBondContact OD1-OG1 2.76Å; N156-A160 VanDerWaalsContact O-CB 3.31Å; N156-A160 WeakPolarHBondContact O-CB 3.38Å; N156-A160 PolarHBondContact O-N 2.85Å | ||
| 157 | P | 79.7 | Confident | 80.1 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | -175.2 | -24.8 | 32.9 | 0 | 0 | 0 | 114 | E93 W155 T159 A160 R161 L287 | E93-P157 HydrophobicContact CG-CB 4.43Å; W155-P157 HydrophobicContact CH2-CB 4.23Å; W155-P157 HydrophobicContact CH2-CG 3.83Å; W155-P157 HydrophobicContact CZ3-CG 3.7Å; P157-T159 PolarHBondContact O-N 3.36Å; P157-A160 PolarHBondContact O-N 3.11Å; P157-R161 WeakPolarHBondContact O-CB 3.31Å; P157-R161 VanDerWaalsContact O-CG 3.3Å; P157-R161 WeakPolarHBondContact O-CG 3.2Å; P157-R161 PolarHBondContact O-N 2.85Å; P157-L287 HydrophobicContact CB-CD1 3.22Å; P157-L287 HydrophobicContact CG-CD1 3.72Å |
| 158 | S | 75.3 | Confident | 80.8 | Confident | 54 Ų | 54 | 56.1 Ų | 56.1 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | -175.9 | -53.1 | 0 | 0 | 0 | 0 | 112.5 | N156 V162 | N156-S158 VanDerWaalsContact C-N 3.35Å; N156-S158 PolarHBondContact O-N 3.44Å; N156-S158 PolarHBondContact OD1-N 3.07Å; S158-V162 WeakPolarHBondContact O-CG2 3.4Å; S158-V162 PolarHBondContact O-N 2.9Å |
| 159 | T | 77.4 | Confident | 81.2 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 173.1 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | N156 P157 R161 V162 H163 | N156-T159 WeakPolarHBondContact ND2-CB 3.46Å; N156-T159 PolarHBondContact ND2-OG1 3.34Å; N156-T159 PolarHBondContact O-N 3.39Å; N156-T159 PolarHBondContact OD1-N 2.78Å; N156-T159 PolarHBondContact OD1-OG1 2.76Å; P157-T159 PolarHBondContact O-N 3.36Å; T159-R161 PolarHBondContact O-N 2.58Å; T159-V162 PolarHBondContact O-N 2.91Å; T159-H163 PolarHBondContact O-N 3.38Å |
| 160 | A | 82.9 | Confident | 81.4 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 5% | 0.05 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | W155 N156 P157 C164 | W155-A160 HydrophobicContact CZ2-CB 3.76Å; N156-A160 VanDerWaalsContact O-CB 3.31Å; N156-A160 WeakPolarHBondContact O-CB 3.38Å; N156-A160 PolarHBondContact O-N 2.85Å; P157-A160 PolarHBondContact O-N 3.11Å; A160-C164 WeakPolarHBondContact O-CB 3.49Å; A160-C164 PolarHBondContact O-N 2.89Å |
| 161 | R | 86.6 | Confident | 81.7 | Confident | 24 Ų | 24 | 53 Ų | 53 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 172.9 | -72.5 | 174.5 | -177.5 | -153.1 | -12.8 | 112.5 | I56 L57 D58 W61 E93 P157 T159 C164 F165 | I56-R161 WeakPolarHBondContact CG2-O 3.38Å; I56-R161 WeakPolarHBondContact O-CG 3.27Å; L57-R161 HydrophobicContact CD2-CB 4.22Å; L57-R161 VanDerWaalsContact O-CD 3.29Å; L57-R161 WeakPolarHBondContact O-CD 3.33Å; L57-R161 PolarHBondContact O-NH1 3.14Å; D58-R161 PolarHBondContact O-NH1 2.91Å; W61-R161 HydrophobicContact CH2-CG 3.98Å; W61-R161 HydrophobicContact CZ2-CG 3.94Å; E93-R161 IonicContact OE1-CZ 3.65Å; E93-R161 IonicContact OE1-NE 2.93Å; E93-R161 PolarHBondContact OE1-NE 3.21Å; E93-R161 IonicContact OE1-NH2 2.63Å; E93-R161 PolarHBondContact OE1-NH2 2.84Å; E93-R161 IonicContact OE2-CZ 2.76Å; E93-R161 IonicContact OE2-NE 2.89Å; E93-R161 IonicContact OE2-NH2 3.43Å; E93-R161 PolarHBondContact OE2-NH2 3.43Å; P157-R161 WeakPolarHBondContact O-CB 3.31Å; P157-R161 VanDerWaalsContact O-CG 3.3Å; P157-R161 WeakPolarHBondContact O-CG 3.2Å; P157-R161 PolarHBondContact O-N 2.85Å; T159-R161 PolarHBondContact O-N 2.58Å; R161-C164 WeakPolarHBondContact O-CB 3.44Å; R161-C164 PolarHBondContact O-N 2.95Å; R161-F165 PolarHBondContact O-N 2.97Å |
| 162 | V | 83.4 | Confident | 82 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -47.6 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | H28 L32 L57 S158 T159 C164 F165 E166 | H28-V162 HydrophobicContact CB-CB 4.36Å; H28-V162 HydrophobicContact CB-CG1 4.22Å; H28-V162 HydrophobicContact CB-CG2 3.79Å; L32-V162 HydrophobicContact CD1-CG2 4.46Å; L57-V162 HydrophobicContact CD2-CG2 3.67Å; S158-V162 WeakPolarHBondContact O-CG2 3.4Å; S158-V162 PolarHBondContact O-N 2.9Å; T159-V162 PolarHBondContact O-N 2.91Å; V162-C164 VanDerWaalsContact C-N 3.29Å; V162-C164 PolarHBondContact O-N 3.5Å; V162-F165 PolarHBondContact O-N 2.99Å; V162-F165 VanDerWaalsContact O-N 3.13Å; V162-E166 WeakPolarHBondContact O-CG 3.43Å; V162-E166 PolarHBondContact O-N 2.64Å |
| 163 | H | 84.3 | Confident | 81.9 | Confident | 64 Ų | 64 | 47.8 Ų | 47.8 | 30% | 0.296 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -33.2 | 173.6 | -70.3 | -34.7 | 0 | 0 | 0 | 112.6 | T159 E166 E167 | T159-H163 PolarHBondContact O-N 3.38Å; H163-E166 IonicContact CE1-OE2 3.81Å; H163-E166 IonicContact CG-OE2 2.69Å; H163-E166 IonicContact ND1-OE2 3.67Å; H163-E166 PolarHBondContact ND1-OE2 2.94Å; H163-E166 PolarHBondContact O-N 3.36Å; H163-E167 PolarHBondContact O-N 3.02Å |
| 164 | C | 88.1 | Confident | 82 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 171.1 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | I56 W61 Q89 A160 R161 V162 A168 | I56-C164 HydrophobicContact CG2-CB 4.17Å; W61-C164 HydrophobicContact CH2-CB 4.43Å; Q89-C164 HydrophobicContact CG-CB 3.94Å; A160-C164 WeakPolarHBondContact O-CB 3.49Å; A160-C164 PolarHBondContact O-N 2.89Å; R161-C164 WeakPolarHBondContact O-CB 3.44Å; R161-C164 PolarHBondContact O-N 2.95Å; V162-C164 VanDerWaalsContact C-N 3.29Å; V162-C164 PolarHBondContact O-N 3.5Å; C164-A168 WeakPolarHBondContact O-CB 3.48Å; C164-A168 PolarHBondContact O-N 3.12Å |
| 165 | F | 88.2 | Confident | 82.3 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 173.4 | 174.3 | -104.3 | 0 | 0 | 0 | 112.2 | F45 M49 R53 I56 R161 V162 A168 C169 | F45-F165 HydrophobicContact CE1-CE1 4.26Å; F45-F165 HydrophobicContact CE1-CZ 4.15Å; F45-F165 HydrophobicContact CZ-CE1 4.17Å; F45-F165 HydrophobicContact CZ-CZ 4.43Å; M49-F165 HydrophobicContact CG-CZ 4.32Å; M49-F165 HydrophobicContact SD-CE2 4.02Å; M49-F165 HydrophobicContact SD-CZ 4.22Å; R53-F165 HydrophobicContact CB-CD2 3.79Å; R53-F165 HydrophobicContact CB-CE1 4.29Å; R53-F165 HydrophobicContact CB-CE2 3.42Å; R53-F165 VanDerWaalsContact CB-CE2 3.42Å; R53-F165 HydrophobicContact CB-CG 4.37Å; R53-F165 HydrophobicContact CB-CZ 3.7Å; R53-F165 HydrophobicContact CG-CD1 3.9Å; R53-F165 HydrophobicContact CG-CD2 3.9Å; R53-F165 HydrophobicContact CG-CE1 3.77Å; R53-F165 HydrophobicContact CG-CE2 3.79Å; R53-F165 HydrophobicContact CG-CG 3.96Å; R53-F165 HydrophobicContact CG-CZ 3.72Å; I56-F165 HydrophobicContact CD1-CD2 4.32Å; I56-F165 HydrophobicContact CG2-CB 3.99Å; R161-F165 PolarHBondContact O-N 2.97Å; V162-F165 PolarHBondContact O-N 2.99Å; V162-F165 VanDerWaalsContact O-N 3.13Å; F165-A168 PolarHBondContact O-N 2.76Å; F165-C169 HydrophobicContact CE1-CB 4.22Å; F165-C169 HydrophobicContact CE2-CB 4.12Å; F165-C169 HydrophobicContact CZ-CB 3.94Å; F165-C169 WeakPolarHBondContact O-CB 3.34Å; F165-C169 PolarHBondContact O-N 2.95Å |
| 166 | E | 85.5 | Confident | 82.1 | Confident | 80 Ų | 80 | 40.6 Ų | 40.6 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 176.7 | -71.4 | 171.1 | 163.7 | 0 | 0 | 111.8 | V162 H163 V170 | V162-E166 WeakPolarHBondContact O-CG 3.43Å; V162-E166 PolarHBondContact O-N 2.64Å; H163-E166 IonicContact CE1-OE2 3.81Å; H163-E166 IonicContact CG-OE2 2.69Å; H163-E166 IonicContact ND1-OE2 3.67Å; H163-E166 PolarHBondContact ND1-OE2 2.94Å; H163-E166 PolarHBondContact O-N 3.36Å; E166-V170 WeakPolarHBondContact O-CG2 3.15Å; E166-V170 PolarHBondContact O-N 2.91Å |
| 167 | E | 86.9 | Confident | 81.5 | Confident | 99 Ų | 99 | 41.3 Ų | 41.3 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 175.2 | -71.7 | -168 | -154.9 | 0 | 0 | 112.2 | I85 H163 V170 M171 | I85-E167 HydrophobicContact CD1-CB 4.26Å; I85-E167 WeakPolarHBondContact CD1-OE2 3.31Å; H163-E167 PolarHBondContact O-N 3.02Å; E167-V170 PolarHBondContact O-N 2.65Å; E167-M171 PolarHBondContact O-N 3.18Å |
| 168 | A | 86.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I56 F82 C164 F165 V170 M171 V172 | I56-A168 HydrophobicContact CD1-CB 3.92Å; F82-A168 HydrophobicContact CE2-CB 3.71Å; F82-A168 HydrophobicContact CZ-CB 4.26Å; C164-A168 WeakPolarHBondContact O-CB 3.48Å; C164-A168 PolarHBondContact O-N 3.12Å; F165-A168 PolarHBondContact O-N 2.76Å; A168-V170 PolarHBondContact O-N 3.27Å; A168-M171 PolarHBondContact O-N 2.58Å; A168-M171 VanDerWaalsContact O-N 3.14Å; A168-V172 WeakPolarHBondContact O-CB 3.45Å; A168-V172 WeakPolarHBondContact O-CG2 3.31Å; A168-V172 PolarHBondContact O-N 3.37Å |
| 169 | C | 84.2 | Confident | 79.6 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | M49 F165 M171 V172 A173 | M49-C169 HydrophobicContact SD-CB 4.3Å; F165-C169 HydrophobicContact CE1-CB 4.22Å; F165-C169 HydrophobicContact CE2-CB 4.12Å; F165-C169 HydrophobicContact CZ-CB 3.94Å; F165-C169 WeakPolarHBondContact O-CB 3.34Å; F165-C169 PolarHBondContact O-N 2.95Å; C169-M171 VanDerWaalsContact C-N 3.26Å; C169-M171 PolarHBondContact O-N 3.38Å; C169-V172 PolarHBondContact O-N 3.5Å; C169-A173 WeakPolarHBondContact O-CB 3.4Å; C169-A173 PolarHBondContact O-N 2.88Å |
| 170 | V | 84.6 | Confident | 78.1 | Confident | 122 Ų | 122 | 52.4 Ų | 52.4 | 74% | 0.739 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.7 | -35.9 | 176 | 172 | 0 | 0 | 0 | 0 | 111.7 | E166 E167 A168 | E166-V170 WeakPolarHBondContact O-CG2 3.15Å; E166-V170 PolarHBondContact O-N 2.91Å; E167-V170 PolarHBondContact O-N 2.65Å; A168-V170 PolarHBondContact O-N 3.27Å |
| 171 | M | 82.9 | Confident | 76.4 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 15% | 0.148 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.4 | -28.3 | 178 | -65.5 | -176.4 | 63.5 | 0 | 0 | 114 | D78 R81 F82 I85 E167 A168 C169 | D78-M171 HydrophobicContact CB-CE 3.94Å; D78-M171 VanDerWaalsContact O-CE 3.25Å; D78-M171 WeakPolarHBondContact O-CE 3.28Å; R81-M171 HydrophobicContact CB-CE 3.94Å; R81-M171 HydrophobicContact CG-CE 3.98Å; R81-M171 HydrophobicContact CG-SD 3.97Å; F82-M171 HydrophobicContact CB-CE 3.91Å; F82-M171 HydrophobicContact CD2-CB 4.45Å; F82-M171 HydrophobicContact CD2-CE 4.49Å; F82-M171 HydrophobicContact CD2-SD 4.45Å; I85-M171 HydrophobicContact CD1-SD 3.81Å; E167-M171 PolarHBondContact O-N 3.18Å; A168-M171 PolarHBondContact O-N 2.58Å; A168-M171 VanDerWaalsContact O-N 3.14Å; C169-M171 VanDerWaalsContact C-N 3.26Å; C169-M171 PolarHBondContact O-N 3.38Å |
| 172 | V | 83.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -97 | -23.8 | -174.1 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | M49 L52 I68 L71 F77 F82 A168 C169 E174 F175 I176 | M49-V172 HydrophobicContact CE-CB 4.11Å; M49-V172 HydrophobicContact CE-CG1 3.88Å; L52-V172 HydrophobicContact CD2-CB 4.26Å; L52-V172 HydrophobicContact CD2-CG1 4.03Å; L52-V172 HydrophobicContact CD2-CG2 4.16Å; I68-V172 HydrophobicContact CD1-CG1 4.28Å; I68-V172 HydrophobicContact CD1-CG2 3.83Å; L71-V172 HydrophobicContact CD1-CG1 4Å; F77-V172 HydrophobicContact CE2-CG2 4.02Å; F77-V172 HydrophobicContact CZ-CG2 4.44Å; F82-V172 HydrophobicContact CD2-CG2 4.31Å; F82-V172 HydrophobicContact CE2-CG2 3.74Å; F82-V172 HydrophobicContact CZ-CG2 4.49Å; A168-V172 WeakPolarHBondContact O-CB 3.45Å; A168-V172 WeakPolarHBondContact O-CG2 3.31Å; A168-V172 PolarHBondContact O-N 3.37Å; C169-V172 PolarHBondContact O-N 3.5Å; V172-E174 VanDerWaalsContact C-N 3.29Å; V172-E174 PolarHBondContact O-N 2.96Å; V172-F175 PolarHBondContact O-N 3.36Å; V172-I176 HydrophobicContact CG1-CB 4.12Å; V172-I176 HydrophobicContact CG1-CD1 3.5Å; V172-I176 VanDerWaalsContact CG1-CD1 3.5Å; V172-I176 HydrophobicContact CG1-CG1 3.68Å; V172-I176 PolarHBondContact O-N 2.94Å |
| 173 | A | 78.3 | Confident | 72.4 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | M49 C169 F175 | M49-A173 HydrophobicContact CE-CB 4.22Å; C169-A173 WeakPolarHBondContact O-CB 3.4Å; C169-A173 PolarHBondContact O-N 2.88Å; A173-F175 VanDerWaalsContact C-N 3.28Å |
| 174 | E | 75.3 | Confident | 70 | Confident | 127 Ų | 127 | 71.5 Ų | 71.5 | 59% | 0.593 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -28.5 | 168.8 | -170.7 | 179.6 | 159.7 | 0 | 0 | 111.6 | K76 V172 | K76-E174 IonicContact NZ-OE1 2.77Å; K76-E174 PolarHBondContact NZ-OE1 2.83Å; V172-E174 VanDerWaalsContact C-N 3.29Å; V172-E174 PolarHBondContact O-N 2.96Å |
| 175 | F | 79.5 | Confident | 67.7 | Low | 35 Ų | 35 | 74.8 Ų | 74.8 | 15% | 0.154 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -29.4 | -172.8 | -53.5 | -84.1 | 0 | 0 | 0 | 113.3 | L71 M74 K76 F77 V172 A173 P177 | L71-F175 HydrophobicContact CD1-CB 4.12Å; L71-F175 HydrophobicContact CD2-CB 3.84Å; L71-F175 HydrophobicContact CD2-CG 4.46Å; M74-F175 HydrophobicContact CB-CD1 4.49Å; M74-F175 HydrophobicContact CB-CE1 4.16Å; M74-F175 HydrophobicContact CG-CD1 4.42Å; K76-F175 HydrophobicContact CB-CE1 3.88Å; K76-F175 HydrophobicContact CB-CZ 3.67Å; F77-F175 HydrophobicContact CB-CE1 4.4Å; F77-F175 HydrophobicContact CB-CE2 4.18Å; F77-F175 HydrophobicContact CB-CZ 3.94Å; F77-F175 HydrophobicContact CD2-CD2 4Å; F77-F175 AromaticContact CD2-CE2 3.75Å; F77-F175 HydrophobicContact CD2-CE2 3.75Å; F77-F175 HydrophobicContact CD2-CZ 4.38Å; F77-F175 HydrophobicContact CG-CE2 4.45Å; V172-F175 PolarHBondContact O-N 3.36Å; A173-F175 VanDerWaalsContact C-N 3.28Å; F175-P177 WeakPolarHBondContact O-CD 3.17Å |
| 176 | I | 74.5 | Confident | 65.3 | Low | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.021 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -114.5 | 85.5 | 173.7 | -53.6 | -174.7 | 0 | 0 | 0 | 108.2 | S46 D48 M49 F67 L71 V172 M309 | S46-I176 WeakPolarHBondContact OG-CG2 3.32Å; D48-I176 HydrophobicContact CB-CD1 4.31Å; D48-I176 HydrophobicContact CB-CG2 3.86Å; M49-I176 HydrophobicContact CB-CG2 4.41Å; M49-I176 HydrophobicContact CE-CB 4.33Å; F67-I176 HydrophobicContact CE1-CD1 4.36Å; L71-I176 HydrophobicContact CD1-CD1 4.3Å; L71-I176 HydrophobicContact CD1-CG1 4.29Å; V172-I176 HydrophobicContact CG1-CB 4.12Å; V172-I176 HydrophobicContact CG1-CD1 3.5Å; V172-I176 VanDerWaalsContact CG1-CD1 3.5Å; V172-I176 HydrophobicContact CG1-CG1 3.68Å; V172-I176 PolarHBondContact O-N 2.94Å; I176-M309 HydrophobicContact CD1-CE 4.23Å; I176-M309 HydrophobicContact CD1-SD 3.85Å; I176-M309 HydrophobicContact CG1-CE 4.38Å |
| 177 | P | 63.2 | Low | 63 | Low | 73 Ų | 73 | 81.8 Ų | 81.8 | 47% | 0.474 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 145.8 | -179.2 | 30 | -35.2 | 0 | 0 | 0 | 111.9 | F175 | F175-P177 WeakPolarHBondContact O-CD 3.17Š|
| 178 | A | 60.9 | Low | 60.6 | Low | 46 Ų | 46 | 86.1 Ų | 86.1 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 144.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L44 R180 | L44-A178 WeakPolarHBondContact O-CB 3.37Å; A178-R180 PolarHBondContact O-N 3.08Å |
| 179 | D | 54.6 | Low | 58.4 | Low | 83 Ų | 83 | 89.9 Ų | 89.9 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -65 | 120.3 | -179.7 | -174.3 | -2.9 | 0 | 0 | 0 | 111.1 | K181 L182 | D179-K181 PolarHBondContact O-N 2.86Å; D179-K181 WeakPolarHBondContact OD1-CG 3.24Å; D179-K181 PolarHBondContact OD1-N 2.66Å; D179-L182 PolarHBondContact O-N 2.88Å |
| 180 | R | 46.6 | Very low | 56.4 | Low | 215 Ų | 215 | 93.1 Ų | 93.1 | 81% | 0.811 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -64.3 | -23.8 | -179.5 | -68.1 | -175.8 | 176.7 | -178 | -0.8 | 112.9 | A178 L182 S183 | A178-R180 PolarHBondContact O-N 3.08Å; R180-L182 PolarHBondContact O-N 2.89Å; R180-S183 VanDerWaalsContact O-CB 3.26Å; R180-S183 WeakPolarHBondContact O-CB 3.32Å; R180-S183 PolarHBondContact O-N 3.02Å |
| 181 | K | 46.6 | Very low | 54.5 | Low | 136 Ų | 136 | 94.7 Ų | 94.7 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -62.6 | -25.3 | 177.5 | -64.9 | 174.3 | -173.6 | 167.7 | 0 | 113.1 | D179 D318 | D179-K181 PolarHBondContact O-N 2.86Å; D179-K181 WeakPolarHBondContact OD1-CG 3.24Å; D179-K181 PolarHBondContact OD1-N 2.66Å; K181-D318 IonicContact NZ-OD2 3.7Å; K181-D318 PolarHBondContact NZ-OD2 3.01Å |
| 182 | L | 44.7 | Very low | 53.2 | Low | 111 Ų | 111 | 96.8 Ų | 96.8 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -86.3 | -14.7 | 173 | -71.3 | 168.6 | 0 | 0 | 0 | 113.2 | D179 R180 | D179-L182 PolarHBondContact O-N 2.88Å; R180-L182 PolarHBondContact O-N 2.89Å |
| 183 | S | 41.1 | Very low | 51.3 | Low | 73 Ų | 73 | 104.2 Ų | 104.2 | 51% | 0.51 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -24 | -176.5 | -161.8 | 0 | 0 | 0 | 0 | 113.4 | R180 A185 | R180-S183 VanDerWaalsContact O-CB 3.26Å; R180-S183 WeakPolarHBondContact O-CB 3.32Å; R180-S183 PolarHBondContact O-N 3.02Å; S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 PolarHBondContact O-N 2.98Å |
| 184 | E | 34.8 | Very low | 49.6 | Very low | 185 Ų | 185 | 105.9 Ų | 105.9 | 86% | 0.864 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -75.7 | -16.3 | 176 | -67 | -169.2 | 137.6 | 0 | 0 | 113.3 | G186 | E184-G186 PolarHBondContact O-N 3.47Š|
| 185 | A | 39.1 | Very low | 48.4 | Very low | 70 Ų | 70 | 104.8 Ų | 104.8 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -78 | 49.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S183 F187 | S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 PolarHBondContact O-N 2.98Å; A185-F187 PolarHBondContact O-N 2.94Å |
| 186 | G | 37.6 | Very low | 46.7 | Very low | 61 Ų | 61 | 106.8 Ų | 106.8 | 63% | 0.629 | 56% | 0.564 | S | S | * | * | trans | -65.3 | 87.4 | -158.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E184 | E184-G186 PolarHBondContact O-N 3.47Š| ||
| 187 | F | 38.5 | Very low | 45.5 | Very low | 178 Ų | 178 | 111.1 Ų | 111.1 | 78% | 0.781 | 59% | 0.586 | S | S | * | * | trans | -117.9 | 81.1 | 169.1 | -74.4 | -79.5 | 0 | 0 | 0 | 111.5 | A185 | A185-F187 PolarHBondContact O-N 2.94Š| ||
| 188 | K | 36.6 | Very low | 44.9 | Very low | 189 Ų | 189 | 111.3 Ų | 111.3 | 82% | 0.822 | 59% | 0.586 | S | S | * | * | trans | -83.3 | 125.3 | 155.2 | -149.8 | 177.7 | -171.4 | -177.8 | 0 | 106.7 | S190 | K188-S190 PolarHBondContact O-N 3.09Š| ||
| 189 | A | 40.2 | Very low | 44.3 | Very low | 79 Ų | 79 | 110.6 Ų | 110.6 | 65% | 0.653 | 58% | 0.575 | S | S | * | * | trans | -76.6 | 52.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 190 | S | 42.2 | Very low | 43.9 | Very low | 91 Ų | 91 | 110.7 Ų | 110.7 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | trans | -82 | 139.4 | 168.8 | 51.6 | 0 | 0 | 0 | 0 | 110.8 | K188 | K188-S190 PolarHBondContact O-N 3.09Š| ||
| 191 | N | 44.4 | Very low | 44.1 | Very low | 154 Ų | 154 | 102.1 Ų | 102.1 | 82% | 0.824 | 55% | 0.55 | S | S | * | * | S | Bend | trans | 67 | 84.3 | -169.1 | -60.1 | -18.2 | 0 | 0 | 0 | 112.7 | R193 | N191-R193 PolarHBondContact O-N 2.88Š|
| 192 | N | 54.4 | Low | 44.2 | Very low | 75 Ų | 75 | 100.2 Ų | 100.2 | 40% | 0.401 | 55% | 0.546 | S | S | . | . | trans | -76.4 | 64.4 | -170.3 | -157.8 | -10.9 | 0 | 0 | 0 | 112.6 | L194 F195 Q196 | N192-L194 VanDerWaalsContact C-N 3.34Å; N192-L194 PolarHBondContact O-N 2.96Å; N192-F195 HydrophobicContact CB-CB 4.05Å; N192-F195 WeakPolarHBondContact ND2-CB 3.49Å; N192-F195 PolarHBondContact O-N 3.28Å; N192-F195 WeakPolarHBondContact OD1-CB 3.43Å; N192-Q196 PolarHBondContact O-N 3.41Å | ||
| 193 | R | 43.6 | Very low | 44.3 | Very low | 156 Ų | 156 | 98.8 Ų | 98.8 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -35.1 | -170.6 | -178.4 | 57.7 | 173.7 | -155.5 | -3.5 | 113.5 | N191 Q196 L197 | N191-R193 PolarHBondContact O-N 2.88Å; R193-Q196 PolarHBondContact O-N 2.84Å; R193-L197 HydrophobicContact CG-CD1 4.31Å; R193-L197 VanDerWaalsContact O-CG 3.32Å; R193-L197 WeakPolarHBondContact O-CG 3.36Å; R193-L197 PolarHBondContact O-N 3.32Å |
| 194 | L | 44.3 | Very low | 44.8 | Very low | 82 Ų | 82 | 100.5 Ų | 100.5 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.6 | -44.5 | 175.5 | -178.4 | 56.4 | 0 | 0 | 0 | 110.9 | L17 N192 Q196 L197 V198 | L17-L194 HydrophobicContact CD1-CB 4.39Å; L17-L194 HydrophobicContact CD1-CD2 4.32Å; N192-L194 VanDerWaalsContact C-N 3.34Å; N192-L194 PolarHBondContact O-N 2.96Å; L194-Q196 VanDerWaalsContact C-N 3.35Å; L194-Q196 PolarHBondContact O-N 2.82Å; L194-L197 PolarHBondContact O-N 2.82Å; L194-L197 VanDerWaalsContact O-N 3.09Å; L194-V198 HydrophobicContact CD1-CG2 4.44Å; L194-V198 WeakPolarHBondContact O-CG2 3.44Å; L194-V198 PolarHBondContact O-N 2.95Å |
| 195 | F | 48.7 | Very low | 45.6 | Very low | 104 Ų | 104 | 96.8 Ų | 96.8 | 46% | 0.456 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 172.9 | -173.6 | -101 | 0 | 0 | 0 | 111.9 | N192 L197 V198 M199 | N192-F195 HydrophobicContact CB-CB 4.05Å; N192-F195 WeakPolarHBondContact ND2-CB 3.49Å; N192-F195 PolarHBondContact O-N 3.28Å; N192-F195 WeakPolarHBondContact OD1-CB 3.43Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 2.91Å; F195-V198 PolarHBondContact O-N 3.13Å; F195-M199 HydrophobicContact CD1-CG 3.95Å; F195-M199 HydrophobicContact CE1-CG 3.71Å; F195-M199 HydrophobicContact CE1-SD 4.42Å; F195-M199 HydrophobicContact CE2-CG 4.44Å; F195-M199 HydrophobicContact CG-CG 4.42Å; F195-M199 HydrophobicContact CZ-CG 3.98Å; F195-M199 HydrophobicContact CZ-SD 4.14Å; F195-M199 VanDerWaalsContact O-CB 3.25Å; F195-M199 WeakPolarHBondContact O-CB 3.3Å; F195-M199 VanDerWaalsContact O-CG 3.28Å; F195-M199 WeakPolarHBondContact O-CG 3.27Å; F195-M199 PolarHBondContact O-N 2.79Å |
| 196 | Q | 45.2 | Very low | 46.1 | Very low | 78 Ų | 78 | 96.6 Ų | 96.6 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -33.9 | 172.4 | -74.2 | -176.5 | -14.2 | 0 | 0 | 113.1 | N192 R193 L194 K200 | N192-Q196 PolarHBondContact O-N 3.41Å; R193-Q196 PolarHBondContact O-N 2.84Å; L194-Q196 VanDerWaalsContact C-N 3.35Å; L194-Q196 PolarHBondContact O-N 2.82Å; Q196-K200 VanDerWaalsContact O-CB 3.3Å; Q196-K200 WeakPolarHBondContact O-CB 2.98Å; Q196-K200 WeakPolarHBondContact O-CG 3.49Å; Q196-K200 PolarHBondContact O-N 3.05Å |
| 197 | L | 48.3 | Very low | 46.6 | Very low | 94 Ų | 94 | 97.4 Ų | 97.4 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.6 | -41.4 | 176.5 | -74.5 | 166.5 | 0 | 0 | 0 | 111.8 | R193 L194 F195 K200 G201 | R193-L197 HydrophobicContact CG-CD1 4.31Å; R193-L197 VanDerWaalsContact O-CG 3.32Å; R193-L197 WeakPolarHBondContact O-CG 3.36Å; R193-L197 PolarHBondContact O-N 3.32Å; L194-L197 PolarHBondContact O-N 2.82Å; L194-L197 VanDerWaalsContact O-N 3.09Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 2.91Å; L197-K200 PolarHBondContact O-N 3.46Å; L197-G201 PolarHBondContact O-N 3.05Å |
| 198 | V | 50.5 | Low | 47.3 | Very low | 77 Ų | 77 | 90.9 Ų | 90.9 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 173.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L194 F195 K200 G201 L202 | L194-V198 HydrophobicContact CD1-CG2 4.44Å; L194-V198 WeakPolarHBondContact O-CG2 3.44Å; L194-V198 PolarHBondContact O-N 2.95Å; F195-V198 PolarHBondContact O-N 3.13Å; V198-K200 PolarHBondContact O-N 3.19Å; V198-G201 PolarHBondContact O-N 2.72Å; V198-L202 HydrophobicContact CG1-CD1 4.11Å; V198-L202 WeakPolarHBondContact O-CG 3.41Å; V198-L202 PolarHBondContact O-N 3Å |
| 199 | M | 48.2 | Very low | 48 | Very low | 31 Ų | 31 | 87.6 Ų | 87.6 | 15% | 0.153 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 174.7 | -76.6 | -52.7 | -46.7 | 0 | 0 | 112.5 | F195 G201 L202 L203 L232 | F195-M199 HydrophobicContact CD1-CG 3.95Å; F195-M199 HydrophobicContact CE1-CG 3.71Å; F195-M199 HydrophobicContact CE1-SD 4.42Å; F195-M199 HydrophobicContact CE2-CG 4.44Å; F195-M199 HydrophobicContact CG-CG 4.42Å; F195-M199 HydrophobicContact CZ-CG 3.98Å; F195-M199 HydrophobicContact CZ-SD 4.14Å; F195-M199 VanDerWaalsContact O-CB 3.25Å; F195-M199 WeakPolarHBondContact O-CB 3.3Å; F195-M199 VanDerWaalsContact O-CG 3.28Å; F195-M199 WeakPolarHBondContact O-CG 3.27Å; F195-M199 PolarHBondContact O-N 2.79Å; M199-G201 VanDerWaalsContact C-N 3.35Å; M199-L202 HydrophobicContact SD-CD1 4.39Å; M199-L203 WeakPolarHBondContact O-CB 3.45Å; M199-L203 WeakPolarHBondContact O-CD1 3.28Å; M199-L203 VanDerWaalsContact O-CG 3.25Å; M199-L203 WeakPolarHBondContact O-CG 3.28Å; M199-L203 PolarHBondContact O-N 2.9Å; M199-L232 HydrophobicContact CE-CD1 3.52Å; M199-L232 HydrophobicContact CE-CD2 3.47Å; M199-L232 VanDerWaalsContact CE-CD2 3.47Å; M199-L232 HydrophobicContact CE-CG 4.15Å; M199-L232 HydrophobicContact SD-CD2 3.74Å |
| 200 | K | 47.1 | Very low | 48.6 | Very low | 85 Ų | 85 | 88.6 Ų | 88.6 | 37% | 0.37 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.7 | -32.6 | 173.6 | -76.8 | 177.4 | -176.3 | -161.2 | 0 | 112.7 | Q196 L197 V198 Y204 | Q196-K200 VanDerWaalsContact O-CB 3.3Å; Q196-K200 WeakPolarHBondContact O-CB 2.98Å; Q196-K200 WeakPolarHBondContact O-CG 3.49Å; Q196-K200 PolarHBondContact O-N 3.05Å; L197-K200 PolarHBondContact O-N 3.46Å; V198-K200 PolarHBondContact O-N 3.19Å; K200-Y204 WeakPolarHBondContact O-CB 3.3Å; K200-Y204 PolarHBondContact O-N 3.37Å |
| 201 | G | 50.2 | Low | 49 | Very low | 35 Ų | 35 | 88.2 Ų | 88.2 | 36% | 0.361 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.4 | -48.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L197 V198 M199 L203 Y204 E205 | L197-G201 PolarHBondContact O-N 3.05Å; V198-G201 PolarHBondContact O-N 2.72Å; M199-G201 VanDerWaalsContact C-N 3.35Å; G201-L203 PolarHBondContact O-N 3.4Å; G201-Y204 WeakPolarHBondContact O-CB 3.42Å; G201-Y204 PolarHBondContact O-N 3.28Å; G201-Y204 VanDerWaalsContact O-N 3.15Å; G201-E205 PolarHBondContact O-N 3.07Å |
| 202 | L | 48.8 | Very low | 49.4 | Very low | 97 Ų | 97 | 86.7 Ų | 86.7 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.7 | -73.2 | 165.6 | 0 | 0 | 0 | 111.9 | V198 M199 Y204 E205 C206 | V198-L202 HydrophobicContact CG1-CD1 4.11Å; V198-L202 WeakPolarHBondContact O-CG 3.41Å; V198-L202 PolarHBondContact O-N 3Å; M199-L202 HydrophobicContact SD-CD1 4.39Å; L202-Y204 VanDerWaalsContact C-N 3.28Å; L202-Y204 PolarHBondContact O-N 3.11Å; L202-E205 PolarHBondContact O-N 3.17Å; L202-C206 PolarHBondContact O-N 3.42Å; L202-C206 PolarHBondContact O-SG 3.42Å; L202-C206 VanDerWaalsContact O-SG 3.34Å |
| 203 | L | 46.7 | Very low | 49.5 | Very low | 81 Ų | 81 | 83.5 Ų | 83.5 | 42% | 0.424 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -34.1 | 174.9 | -71.7 | 167.8 | 0 | 0 | 0 | 112.4 | M199 G201 C207 | M199-L203 WeakPolarHBondContact O-CB 3.45Å; M199-L203 WeakPolarHBondContact O-CD1 3.28Å; M199-L203 VanDerWaalsContact O-CG 3.25Å; M199-L203 WeakPolarHBondContact O-CG 3.28Å; M199-L203 PolarHBondContact O-N 2.9Å; G201-L203 PolarHBondContact O-N 3.4Å; L203-C207 WeakPolarHBondContact O-CB 3.43Å; L203-C207 PolarHBondContact O-N 3.45Å; L203-C207 PolarHBondContact O-SG 3.14Å |
| 204 | Y | 51.3 | Low | 49.8 | Very low | 108 Ų | 108 | 82.7 Ų | 82.7 | 42% | 0.424 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.8 | -48.8 | 175.8 | 176.7 | -90.7 | 0 | 0 | 0 | 111.7 | K200 G201 L202 C207 V208 F260 | K200-Y204 WeakPolarHBondContact O-CB 3.3Å; K200-Y204 PolarHBondContact O-N 3.37Å; G201-Y204 WeakPolarHBondContact O-CB 3.42Å; G201-Y204 PolarHBondContact O-N 3.28Å; G201-Y204 VanDerWaalsContact O-N 3.15Å; L202-Y204 VanDerWaalsContact C-N 3.28Å; L202-Y204 PolarHBondContact O-N 3.11Å; Y204-C207 WeakPolarHBondContact O-CB 3.35Å; Y204-C207 PolarHBondContact O-N 3.38Å; Y204-V208 HydrophobicContact CD1-CG2 4.2Å; Y204-V208 HydrophobicContact CE1-CG2 3.84Å; Y204-V208 WeakPolarHBondContact O-CG2 3.46Å; Y204-V208 PolarHBondContact O-N 3.19Å; Y204-F260 HydrophobicContact CE2-CE1 4.32Å |
| 205 | E | 51.6 | Low | 49.9 | Very low | 108 Ų | 108 | 83 Ų | 83 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 176.6 | -66.1 | -58.4 | 151 | 0 | 0 | 111.4 | G201 L202 C207 V208 E209 | G201-E205 PolarHBondContact O-N 3.07Å; L202-E205 PolarHBondContact O-N 3.17Å; E205-C207 VanDerWaalsContact C-N 3.27Å; E205-C207 PolarHBondContact O-N 2.9Å; E205-V208 WeakPolarHBondContact O-CA 3.45Å; E205-V208 WeakPolarHBondContact O-CB 3.44Å; E205-V208 PolarHBondContact O-N 3.44Å; E205-E209 PolarHBondContact O-N 3.09Å |
| 206 | C | 49.8 | Very low | 50.1 | Low | 65 Ų | 65 | 82.4 Ų | 82.4 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.1 | -32.7 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | L202 F210 | L202-C206 PolarHBondContact O-N 3.42Å; L202-C206 PolarHBondContact O-SG 3.42Å; L202-C206 VanDerWaalsContact O-SG 3.34Å; C206-F210 VanDerWaalsContact O-CB 3.31Å; C206-F210 WeakPolarHBondContact O-CB 3.42Å; C206-F210 PolarHBondContact O-N 2.95Å |
| 207 | C | 48.3 | Very low | 50 | Low | 79 Ų | 79 | 81.7 Ų | 81.7 | 53% | 0.534 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70 | -35.7 | 171 | -76.1 | 0 | 0 | 0 | 0 | 112.6 | L203 Y204 E205 C211 | L203-C207 WeakPolarHBondContact O-CB 3.43Å; L203-C207 PolarHBondContact O-N 3.45Å; L203-C207 PolarHBondContact O-SG 3.14Å; Y204-C207 WeakPolarHBondContact O-CB 3.35Å; Y204-C207 PolarHBondContact O-N 3.38Å; E205-C207 VanDerWaalsContact C-N 3.27Å; E205-C207 PolarHBondContact O-N 2.9Å; C207-C211 WeakPolarHBondContact O-CB 3.45Å; C207-C211 PolarHBondContact O-N 2.96Å; C207-C211 PolarHBondContact O-SG 3.17Å; C207-C211 VanDerWaalsContact O-SG 3.39Å |
| 208 | V | 53.2 | Low | 50.1 | Low | 41 Ų | 41 | 83.5 Ų | 83.5 | 25% | 0.248 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | Y204 E205 C211 Q212 | Y204-V208 HydrophobicContact CD1-CG2 4.2Å; Y204-V208 HydrophobicContact CE1-CG2 3.84Å; Y204-V208 WeakPolarHBondContact O-CG2 3.46Å; Y204-V208 PolarHBondContact O-N 3.19Å; E205-V208 WeakPolarHBondContact O-CA 3.45Å; E205-V208 WeakPolarHBondContact O-CB 3.44Å; E205-V208 PolarHBondContact O-N 3.44Å; V208-C211 PolarHBondContact O-N 2.91Å; V208-Q212 VanDerWaalsContact CG1-NE2 3.33Å; V208-Q212 WeakPolarHBondContact O-CG 3.31Å; V208-Q212 PolarHBondContact O-N 3.19Å |
| 209 | E | 52 | Low | 49.9 | Very low | 120 Ų | 120 | 88.3 Ų | 88.3 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.6 | -46 | 175.8 | -68.3 | 179.1 | 143.3 | 0 | 0 | 111.8 | E205 C211 Q212 S213 | E205-E209 PolarHBondContact O-N 3.09Å; E209-C211 PolarHBondContact O-N 2.76Å; E209-Q212 PolarHBondContact O-N 2.58Å; E209-S213 PolarHBondContact O-N 3.25Å |
| 210 | F | 50.8 | Low | 50.1 | Low | 99 Ų | 99 | 90.5 Ų | 90.5 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.2 | 179.3 | -98.6 | 0 | 0 | 0 | 112.4 | C206 Q212 S213 K214 V225 | C206-F210 VanDerWaalsContact O-CB 3.31Å; C206-F210 WeakPolarHBondContact O-CB 3.42Å; C206-F210 PolarHBondContact O-N 2.95Å; F210-Q212 VanDerWaalsContact C-N 3.33Å; F210-Q212 PolarHBondContact O-N 2.89Å; F210-S213 PolarHBondContact O-N 3.2Å; F210-S213 PolarHBondContact O-OG 2.84Å; F210-K214 HydrophobicContact CE1-CG 4.36Å; F210-K214 HydrophobicContact CZ-CG 4.32Å; F210-K214 PolarHBondContact O-N 3.14Å; F210-K214 VanDerWaalsContact O-N 3.12Å; F210-V225 HydrophobicContact CD2-CG2 4.47Å |
| 211 | C | 51.7 | Low | 50.4 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 57% | 0.568 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.7 | -32 | 176.1 | -77.3 | 0 | 0 | 0 | 0 | 112.9 | C207 V208 E209 A215 | C207-C211 WeakPolarHBondContact O-CB 3.45Å; C207-C211 PolarHBondContact O-N 2.96Å; C207-C211 PolarHBondContact O-SG 3.17Å; C207-C211 VanDerWaalsContact O-SG 3.39Å; V208-C211 PolarHBondContact O-N 2.91Å; E209-C211 PolarHBondContact O-N 2.76Å; C211-A215 PolarHBondContact O-N 3.47Å |
| 212 | Q | 51.9 | Low | 50.3 | Low | 121 Ų | 121 | 96 Ų | 96 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -48 | 172.9 | -74.5 | 178.5 | 22.4 | 0 | 0 | 111.4 | V208 E209 F210 K214 A215 T216 | V208-Q212 VanDerWaalsContact CG1-NE2 3.33Å; V208-Q212 WeakPolarHBondContact O-CG 3.31Å; V208-Q212 PolarHBondContact O-N 3.19Å; E209-Q212 PolarHBondContact O-N 2.58Å; F210-Q212 VanDerWaalsContact C-N 3.33Å; F210-Q212 PolarHBondContact O-N 2.89Å; Q212-K214 VanDerWaalsContact C-N 3.31Å; Q212-K214 PolarHBondContact O-N 2.87Å; Q212-A215 CarbonylContact O-C 3.49Å; Q212-A215 WeakPolarHBondContact O-CA 3.32Å; Q212-A215 WeakPolarHBondContact O-CB 3.24Å; Q212-A215 PolarHBondContact O-N 2.96Å; Q212-T216 PolarHBondContact O-N 2.94Å |
| 213 | S | 57.1 | Low | 50.1 | Low | 8 Ų | 8 | 95 Ų | 95 | 6% | 0.056 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 178 | 82.5 | 0 | 0 | 0 | 0 | 112.8 | E209 F210 A215 T216 G217 E218 I220 | E209-S213 PolarHBondContact O-N 3.25Å; F210-S213 PolarHBondContact O-N 3.2Å; F210-S213 PolarHBondContact O-OG 2.84Å; S213-A215 PolarHBondContact O-N 2.84Å; S213-T216 WeakPolarHBondContact CA-OG1 3.41Å; S213-T216 PolarHBondContact O-N 2.93Å; S213-T216 PolarHBondContact O-OG1 2.94Å; S213-G217 PolarHBondContact O-N 3.47Å; S213-E218 PolarHBondContact O-N 2.82Å; S213-I220 VanDerWaalsContact CB-CD1 3.46Å; S213-I220 WeakPolarHBondContact OG-CD1 3.37Å |
| 214 | K | 50.2 | Low | 50.2 | Low | 139 Ų | 139 | 96.9 Ų | 96.9 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.7 | -15.6 | 173.6 | -75.9 | -61.9 | -177.8 | -160.4 | 0 | 114.1 | F210 Q212 | F210-K214 HydrophobicContact CE1-CG 4.36Å; F210-K214 HydrophobicContact CZ-CG 4.32Å; F210-K214 PolarHBondContact O-N 3.14Å; F210-K214 VanDerWaalsContact O-N 3.12Å; Q212-K214 VanDerWaalsContact C-N 3.31Å; Q212-K214 PolarHBondContact O-N 2.87Å |
| 215 | A | 46.3 | Very low | 50 | Low | 88 Ų | 88 | 95 Ų | 95 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -94.2 | -30.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C211 Q212 S213 | C211-A215 PolarHBondContact O-N 3.47Å; Q212-A215 CarbonylContact O-C 3.49Å; Q212-A215 WeakPolarHBondContact O-CA 3.32Å; Q212-A215 WeakPolarHBondContact O-CB 3.24Å; Q212-A215 PolarHBondContact O-N 2.96Å; S213-A215 PolarHBondContact O-N 2.84Å |
| 216 | T | 52.1 | Low | 49.6 | Very low | 93 Ų | 93 | 94 Ų | 94 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -79.3 | -25.4 | 174 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | Q212 S213 E218 | Q212-T216 PolarHBondContact O-N 2.94Å; S213-T216 WeakPolarHBondContact CA-OG1 3.41Å; S213-T216 PolarHBondContact O-N 2.93Å; S213-T216 PolarHBondContact O-OG1 2.94Å; T216-E218 PolarHBondContact OG1-OE2 2.91Å |
| 217 | G | 44.7 | Very low | 49.3 | Very low | 62 Ų | 62 | 97.4 Ų | 97.4 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 11.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S213 | S213-G217 PolarHBondContact O-N 3.47Š|
| 218 | E | 49 | Very low | 48.9 | Very low | 133 Ų | 133 | 95.7 Ų | 95.7 | 62% | 0.621 | 53% | 0.531 | S | S | * | . | trans | -81.8 | 124.7 | 176.5 | -69.3 | 167.4 | 125.1 | 0 | 0 | 110.5 | S213 T216 I220 | S213-E218 PolarHBondContact O-N 2.82Å; T216-E218 PolarHBondContact OG1-OE2 2.91Å; E218-I220 PolarHBondContact O-N 2.89Å | ||
| 219 | E | 45.9 | Very low | 48.3 | Very low | 177 Ų | 177 | 97.6 Ų | 97.6 | 83% | 0.827 | 54% | 0.538 | S | S | * | . | trans | -80.2 | 85.3 | 179.6 | -65.7 | -165 | 137.1 | 0 | 0 | 111.5 | T221 | E219-T221 PolarHBondContact O-N 3.38Š| ||
| 220 | I | 53.2 | Low | 47.7 | Very low | 77 Ų | 77 | 97.3 Ų | 97.3 | 40% | 0.395 | 54% | 0.541 | S | S | . | . | trans | -60.1 | 132.1 | 163.2 | -64.6 | -176.9 | 0 | 0 | 0 | 109 | S213 E218 E224 V225 | S213-I220 VanDerWaalsContact CB-CD1 3.46Å; S213-I220 WeakPolarHBondContact OG-CD1 3.37Å; E218-I220 PolarHBondContact O-N 2.89Å; I220-E224 HydrophobicContact CG2-CB 3.94Å; I220-V225 HydrophobicContact CG2-CG2 3.97Å | ||
| 221 | T | 53.5 | Low | 47.2 | Very low | 67 Ų | 67 | 99.1 Ų | 99.1 | 41% | 0.411 | 55% | 0.554 | S | S | . | * | trans | -82.7 | 149.7 | 179 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | E219 S223 E224 | E219-T221 PolarHBondContact O-N 3.38Å; T221-S223 WeakPolarHBondContact CB-OG 3.3Å; T221-S223 PolarHBondContact O-N 2.82Å; T221-S223 VanDerWaalsContact O-N 3.08Å; T221-S223 PolarHBondContact OG1-OG 2.99Å; T221-E224 WeakPolarHBondContact CB-OE2 3.22Å; T221-E224 PolarHBondContact N-OE2 3.32Å; T221-E224 PolarHBondContact O-N 2.83Å; T221-E224 PolarHBondContact OG1-OE2 2.77Å | ||
| 222 | E | 47.9 | Very low | 46.8 | Very low | 170 Ų | 170 | 98.8 Ų | 98.8 | 79% | 0.794 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -56.8 | -30 | -179.9 | -66.1 | -174.5 | 131.8 | 0 | 0 | 112.8 | E224 V225 L226 | E222-E224 VanDerWaalsContact C-N 3.28Å; E222-E224 PolarHBondContact O-N 3.43Å; E222-V225 PolarHBondContact O-N 3.24Å; E222-L226 PolarHBondContact O-N 2.82Å; E222-L226 VanDerWaalsContact O-N 3.08Å |
| 223 | S | 45.8 | Very low | 46.3 | Very low | 76 Ų | 76 | 97.4 Ų | 97.4 | 53% | 0.531 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.9 | -30.2 | 173.7 | 23.4 | 0 | 0 | 0 | 0 | 114.8 | T221 | T221-S223 WeakPolarHBondContact CB-OG 3.3Å; T221-S223 PolarHBondContact O-N 2.82Å; T221-S223 VanDerWaalsContact O-N 3.08Å; T221-S223 PolarHBondContact OG1-OG 2.99Å |
| 224 | E | 48.7 | Very low | 45.2 | Very low | 119 Ų | 119 | 99.2 Ų | 99.2 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -83.2 | -35.4 | -177.9 | -69.2 | 161.6 | 122.7 | 0 | 0 | 111.2 | I220 T221 E222 L227 | I220-E224 HydrophobicContact CG2-CB 3.94Å; T221-E224 WeakPolarHBondContact CB-OE2 3.22Å; T221-E224 PolarHBondContact N-OE2 3.32Å; T221-E224 PolarHBondContact O-N 2.83Å; T221-E224 PolarHBondContact OG1-OE2 2.77Å; E222-E224 VanDerWaalsContact C-N 3.28Å; E222-E224 PolarHBondContact O-N 3.43Å; E224-L227 PolarHBondContact O-N 3.26Å |
| 225 | V | 47 | Very low | 44.5 | Very low | 70 Ų | 70 | 100.5 Ų | 100.5 | 42% | 0.424 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.1 | -37.8 | 173 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | F210 I220 E222 L227 G228 | F210-V225 HydrophobicContact CD2-CG2 4.47Å; I220-V225 HydrophobicContact CG2-CG2 3.97Å; E222-V225 PolarHBondContact O-N 3.24Å; V225-L227 VanDerWaalsContact C-N 3.25Å; V225-L227 PolarHBondContact O-N 2.84Å; V225-G228 PolarHBondContact O-N 2.89Å |
| 226 | L | 42.6 | Very low | 44 | Very low | 87 Ų | 87 | 100.1 Ų | 100.1 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.6 | -26.1 | 178.7 | -92.3 | 158 | 0 | 0 | 0 | 113.8 | E222 G228 I229 D230 | E222-L226 PolarHBondContact O-N 2.82Å; E222-L226 VanDerWaalsContact O-N 3.08Å; L226-G228 PolarHBondContact O-N 3.49Å; L226-I229 PolarHBondContact O-N 3.3Å; L226-D230 PolarHBondContact O-N 3.05Å |
| 227 | L | 42.7 | Very low | 43.2 | Very low | 136 Ų | 136 | 100.3 Ų | 100.3 | 71% | 0.712 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.1 | -28.8 | 179.3 | -128.8 | 79.6 | 0 | 0 | 0 | 113.2 | E224 V225 I229 | E224-L227 PolarHBondContact O-N 3.26Å; V225-L227 VanDerWaalsContact C-N 3.25Å; V225-L227 PolarHBondContact O-N 2.84Å; L227-I229 VanDerWaalsContact C-N 3.34Å |
| 228 | G | 40.6 | Very low | 42.9 | Very low | 43 Ų | 43 | 105 Ų | 105 | 44% | 0.443 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.9 | -18.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V225 L226 | V225-G228 PolarHBondContact O-N 2.89Å; L226-G228 PolarHBondContact O-N 3.49Å |
| 229 | I | 41.4 | Very low | 42.4 | Very low | 80 Ų | 80 | 106.2 Ų | 106.2 | 41% | 0.41 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -96.4 | -40 | -175.3 | -60 | 176.7 | 0 | 0 | 0 | 111.1 | L226 L227 L231 L232 | L226-I229 PolarHBondContact O-N 3.3Å; L227-I229 VanDerWaalsContact C-N 3.34Å; I229-L231 PolarHBondContact O-N 2.84Å; I229-L231 VanDerWaalsContact O-N 3.13Å; I229-L232 VanDerWaalsContact O-CB 3.3Å; I229-L232 WeakPolarHBondContact O-CB 3.33Å; I229-L232 PolarHBondContact O-N 3.17Å |
| 230 | D | 38.9 | Very low | 42.2 | Very low | 115 Ų | 115 | 104.1 Ų | 104.1 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.8 | -22.7 | 178.4 | -88.9 | -16.3 | 0 | 0 | 0 | 113.4 | L226 L232 | L226-D230 PolarHBondContact O-N 3.05Å; D230-L232 PolarHBondContact O-N 3.3Å |
| 231 | L | 41.1 | Very low | 41.8 | Very low | 136 Ų | 136 | 104.6 Ų | 104.6 | 71% | 0.712 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -18.9 | 172.9 | -153.6 | 74.6 | 0 | 0 | 0 | 113.2 | I229 | I229-L231 PolarHBondContact O-N 2.84Å; I229-L231 VanDerWaalsContact O-N 3.13Å |
| 232 | L | 42.5 | Very low | 41.4 | Very low | 77 Ų | 77 | 108.2 Ų | 108.2 | 40% | 0.403 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | -24.8 | -172.6 | -52.1 | 175.4 | 0 | 0 | 0 | 113.4 | M199 I229 D230 G234 | M199-L232 HydrophobicContact CE-CD1 3.52Å; M199-L232 HydrophobicContact CE-CD2 3.47Å; M199-L232 VanDerWaalsContact CE-CD2 3.47Å; M199-L232 HydrophobicContact CE-CG 4.15Å; M199-L232 HydrophobicContact SD-CD2 3.74Å; I229-L232 VanDerWaalsContact O-CB 3.3Å; I229-L232 WeakPolarHBondContact O-CB 3.33Å; I229-L232 PolarHBondContact O-N 3.17Å; D230-L232 PolarHBondContact O-N 3.3Å; L232-G234 PolarHBondContact O-N 2.66Å |
| 233 | C | 41.6 | Very low | 41.3 | Very low | 93 Ų | 93 | 103.3 Ų | 103.3 | 63% | 0.628 | 61% | 0.611 | S | S | * | * | trans | -80.1 | 8.8 | -175.9 | -65.4 | 0 | 0 | 0 | 0 | 114.3 | N235 | C233-N235 VanDerWaalsContact C-N 3.26Å; C233-N235 PolarHBondContact O-N 3.39Å | ||
| 234 | G | 32.9 | Very low | 41.2 | Very low | 46 Ų | 46 | 102.1 Ų | 102.1 | 47% | 0.474 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -78.5 | 56.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L232 | L232-G234 PolarHBondContact O-N 2.66Š|
| 235 | N | 35.6 | Very low | 41 | Very low | 165 Ų | 165 | 100.3 Ų | 100.3 | 88% | 0.882 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 62 | 119.5 | 179.9 | -64.6 | -15.3 | 0 | 0 | 0 | 116.3 | C233 | C233-N235 VanDerWaalsContact C-N 3.26Å; C233-N235 PolarHBondContact O-N 3.39Å |
| 236 | G | 36.1 | Very low | 41 | Very low | 81 Ų | 81 | 99.6 Ų | 99.6 | 84% | 0.835 | 59% | 0.59 | S | S | * | * | trans | 127.6 | 26.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 237 | C | 34.9 | Very low | 41.3 | Very low | 96 Ų | 96 | 102.2 Ų | 102.2 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | trans | -137.7 | 54.9 | 176.1 | -157.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 238 | D | 39 | Very low | 41.6 | Very low | 162 Ų | 162 | 100.2 Ų | 100.2 | 87% | 0.866 | 58% | 0.583 | S | S | * | * | trans | -68.2 | 144.7 | 162.8 | -66.2 | -51.2 | 0 | 0 | 0 | 109.1 | ||||
| 239 | D | 38.7 | Very low | 41.9 | Very low | 157 Ų | 157 | 105.4 Ų | 105.4 | 84% | 0.84 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 57.2 | 80.8 | -164.1 | -70.6 | -25 | 0 | 0 | 0 | 114.4 | D241 | D239-D241 PolarHBondContact O-N 2.9Š|
| 240 | L | 41.6 | Very low | 42.1 | Very low | 133 Ų | 133 | 107.7 Ų | 107.7 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | trans | -55.6 | 103.6 | 163.1 | -172.5 | 80 | 0 | 0 | 0 | 109.4 | L242 L245 | L240-L242 PolarHBondContact O-N 3.19Å; L240-L245 HydrophobicContact CD2-CD1 4.07Å | ||
| 241 | D | 44.9 | Very low | 42.4 | Very low | 88 Ų | 88 | 104.6 Ų | 104.6 | 47% | 0.471 | 59% | 0.592 | S | S | . | * | trans | -55.7 | 101.9 | -164.8 | -168.7 | -18.4 | 0 | 0 | 0 | 112.8 | D239 S243 L244 | D239-D241 PolarHBondContact O-N 2.9Å; D241-S243 PolarHBondContact O-N 2.57Å; D241-S243 WeakPolarHBondContact OD1-CB 3.32Å; D241-S243 PolarHBondContact OD1-N 3.29Å; D241-S243 PolarHBondContact OD1-OG 2.75Å; D241-S243 PolarHBondContact OD2-OG 2.7Å; D241-L244 PolarHBondContact O-N 2.7Å | ||
| 242 | L | 44.7 | Very low | 42.6 | Very low | 143 Ų | 143 | 101.7 Ų | 101.7 | 75% | 0.749 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -55 | -22.6 | -178.8 | -82.7 | 163.5 | 0 | 0 | 0 | 112.7 | L240 L244 S246 | L240-L242 PolarHBondContact O-N 3.19Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-S246 VanDerWaalsContact O-CB 3.29Å; L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 3.29Å; L242-S246 PolarHBondContact O-OG 3.41Å |
| 243 | S | 45.8 | Very low | 42.9 | Very low | 67 Ų | 67 | 101.9 Ų | 101.9 | 47% | 0.469 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65 | -34.2 | 175.1 | 74.3 | 0 | 0 | 0 | 0 | 112.9 | D241 S246 W247 | D241-S243 PolarHBondContact O-N 2.57Å; D241-S243 WeakPolarHBondContact OD1-CB 3.32Å; D241-S243 PolarHBondContact OD1-N 3.29Å; D241-S243 PolarHBondContact OD1-OG 2.75Å; D241-S243 PolarHBondContact OD2-OG 2.7Å; S243-S246 PolarHBondContact O-OG 3.34Å; S243-W247 WeakPolarHBondContact O-CB 3.46Å; S243-W247 PolarHBondContact O-N 2.88Å |
| 244 | L | 44.1 | Very low | 43.1 | Very low | 50 Ų | 50 | 102 Ų | 102 | 26% | 0.262 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.7 | -44.1 | 179.4 | -179.5 | 56.2 | 0 | 0 | 0 | 111.5 | D241 L242 W247 L248 | D241-L244 PolarHBondContact O-N 2.7Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L244-W247 HydrophobicContact CD1-CE3 4.17Å; L244-W247 PolarHBondContact O-N 3.28Å; L244-L248 HydrophobicContact CD1-CD1 4.4Å; L244-L248 HydrophobicContact CG-CD1 4.39Å; L244-L248 WeakPolarHBondContact O-CG 3.36Å; L244-L248 PolarHBondContact O-N 2.66Å |
| 245 | L | 45 | Very low | 43.8 | Very low | 81 Ų | 81 | 103.2 Ų | 103.2 | 42% | 0.424 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.7 | -40.3 | -176.4 | -142.2 | 151.4 | 0 | 0 | 0 | 110.9 | L240 Q249 | L240-L245 HydrophobicContact CD2-CD1 4.07Å; L245-Q249 HydrophobicContact CD2-CG 4.49Å; L245-Q249 WeakPolarHBondContact O-CB 3.39Å; L245-Q249 VanDerWaalsContact O-CG 3.3Å; L245-Q249 WeakPolarHBondContact O-CG 3.26Å; L245-Q249 PolarHBondContact O-N 3.44Å; L245-Q249 VanDerWaalsContact O-N 3.09Å |
| 246 | S | 47.1 | Very low | 44.5 | Very low | 55 Ų | 55 | 101.5 Ų | 101.5 | 39% | 0.385 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.4 | -31 | 171.4 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | L242 S243 N250 | L242-S246 VanDerWaalsContact O-CB 3.29Å; L242-S246 WeakPolarHBondContact O-CB 3.42Å; L242-S246 PolarHBondContact O-N 3.29Å; L242-S246 PolarHBondContact O-OG 3.41Å; S243-S246 PolarHBondContact O-OG 3.34Å; S246-N250 PolarHBondContact O-N 3.42Å; S246-N250 PolarHBondContact O-ND2 2.77Å |
| 247 | W | 49.1 | Very low | 44.7 | Very low | 143 Ų | 143 | 102.1 Ų | 102.1 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -48.9 | 172.3 | 178.3 | 74.7 | 0 | 0 | 0 | 111.6 | S243 L244 Q249 N250 L251 | S243-W247 WeakPolarHBondContact O-CB 3.46Å; S243-W247 PolarHBondContact O-N 2.88Å; L244-W247 HydrophobicContact CD1-CE3 4.17Å; L244-W247 PolarHBondContact O-N 3.28Å; W247-Q249 VanDerWaalsContact C-N 3.32Å; W247-Q249 PolarHBondContact O-N 2.88Å; W247-N250 PolarHBondContact O-N 3.02Å; W247-N250 VanDerWaalsContact O-N 3.11Å; W247-L251 HydrophobicContact CH2-CD1 4.19Å; W247-L251 HydrophobicContact CZ2-CD1 4.34Å; W247-L251 HydrophobicContact CZ2-CD2 4.41Å; W247-L251 HydrophobicContact CZ3-CD1 4.31Å |
| 248 | L | 47.4 | Very low | 44.8 | Very low | 94 Ų | 94 | 101.8 Ų | 101.8 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.6 | -42.2 | 176.4 | -73.5 | 168.8 | 0 | 0 | 0 | 112.1 | L244 N250 L251 | L244-L248 HydrophobicContact CD1-CD1 4.4Å; L244-L248 HydrophobicContact CG-CD1 4.39Å; L244-L248 WeakPolarHBondContact O-CG 3.36Å; L244-L248 PolarHBondContact O-N 2.66Å; L248-N250 PolarHBondContact O-N 3.4Å; L248-L251 HydrophobicContact CD2-CD1 4.42Å; L248-L251 PolarHBondContact O-N 3.12Å |
| 249 | Q | 47.1 | Very low | 44.9 | Very low | 151 Ų | 151 | 98.9 Ų | 98.9 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69 | -16.4 | 177.9 | -74 | 176.2 | -11.1 | 0 | 0 | 114.6 | L245 W247 | L245-Q249 HydrophobicContact CD2-CG 4.49Å; L245-Q249 WeakPolarHBondContact O-CB 3.39Å; L245-Q249 VanDerWaalsContact O-CG 3.3Å; L245-Q249 WeakPolarHBondContact O-CG 3.26Å; L245-Q249 PolarHBondContact O-N 3.44Å; L245-Q249 VanDerWaalsContact O-N 3.09Å; W247-Q249 VanDerWaalsContact C-N 3.32Å; W247-Q249 PolarHBondContact O-N 2.88Å |
| 250 | N | 47 | Very low | 45.4 | Very low | 129 Ų | 129 | 98 Ų | 98 | 69% | 0.69 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 2 | 177.7 | -82.5 | -79.7 | 0 | 0 | 0 | 113.8 | S246 W247 L248 P252 | S246-N250 PolarHBondContact O-N 3.42Å; S246-N250 PolarHBondContact O-ND2 2.77Å; W247-N250 PolarHBondContact O-N 3.02Å; W247-N250 VanDerWaalsContact O-N 3.11Å; L248-N250 PolarHBondContact O-N 3.4Å; N250-P252 WeakPolarHBondContact O-CD 3.46Å |
| 251 | L | 44.9 | Very low | 45.3 | Very low | 49 Ų | 49 | 98.8 Ų | 98.8 | 26% | 0.257 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -80.5 | 115.1 | 173.1 | -64.7 | 175.5 | 0 | 0 | 0 | 110 | W247 L248 V255 F256 | W247-L251 HydrophobicContact CH2-CD1 4.19Å; W247-L251 HydrophobicContact CZ2-CD1 4.34Å; W247-L251 HydrophobicContact CZ2-CD2 4.41Å; W247-L251 HydrophobicContact CZ3-CD1 4.31Å; L248-L251 HydrophobicContact CD2-CD1 4.42Å; L248-L251 PolarHBondContact O-N 3.12Å; L251-V255 HydrophobicContact CD2-CG2 4.45Å; L251-F256 HydrophobicContact CB-CE2 4.25Å; L251-F256 HydrophobicContact CD1-CZ 4.19Å |
| 252 | P | 45.7 | Very low | 45.1 | Very low | 76 Ų | 76 | 103.1 Ų | 103.1 | 49% | 0.494 | 57% | 0.569 | S | S | . | * | trans | -68.1 | 148.6 | 175.5 | 28.3 | -33.1 | 0 | 0 | 0 | 110.5 | N250 T254 V255 | N250-P252 WeakPolarHBondContact O-CD 3.46Å; P252-T254 PolarHBondContact O-N 2.84Å; P252-V255 HydrophobicContact CG-CG2 4.07Å; P252-V255 WeakPolarHBondContact O-CB 3.37Å; P252-V255 WeakPolarHBondContact O-CG2 3.41Å; P252-V255 PolarHBondContact O-N 2.84Å | ||
| 253 | A | 48.6 | Very low | 45.1 | Very low | 80 Ų | 80 | 103 Ų | 103 | 66% | 0.661 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -55.6 | -20.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V255 F256 S257 | A253-V255 PolarHBondContact O-N 2.72Å; A253-F256 PolarHBondContact O-N 3.41Å; A253-S257 PolarHBondContact O-OG 2.83Å; A253-S257 VanDerWaalsContact O-OG 3.08Å |
| 254 | T | 45.5 | Very low | 44.8 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 59% | 0.589 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -62.7 | -24.1 | 172.7 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | P252 F256 S257 | P252-T254 PolarHBondContact O-N 2.84Å; T254-F256 VanDerWaalsContact C-N 3.3Å; T254-F256 PolarHBondContact O-N 3.41Å; T254-S257 WeakPolarHBondContact CA-OG 3.43Å; T254-S257 WeakPolarHBondContact O-CB 3.27Å; T254-S257 PolarHBondContact O-N 2.98Å; T254-S257 VanDerWaalsContact O-N 3.12Å |
| 255 | V | 47.3 | Very low | 44.7 | Very low | 72 Ų | 72 | 109.7 Ų | 109.7 | 44% | 0.436 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -62.3 | -39.6 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | L251 P252 A253 S257 | L251-V255 HydrophobicContact CD2-CG2 4.45Å; P252-V255 HydrophobicContact CG-CG2 4.07Å; P252-V255 WeakPolarHBondContact O-CB 3.37Å; P252-V255 WeakPolarHBondContact O-CG2 3.41Å; P252-V255 PolarHBondContact O-N 2.84Å; A253-V255 PolarHBondContact O-N 2.72Å; V255-S257 VanDerWaalsContact C-N 3.25Å; V255-S257 PolarHBondContact O-N 3.18Å |
| 256 | F | 49.5 | Very low | 44.4 | Very low | 129 Ų | 129 | 109.2 Ų | 109.2 | 57% | 0.566 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -84.2 | 3.3 | 177.4 | -52.4 | -81.7 | 0 | 0 | 0 | 113.1 | L251 A253 T254 | L251-F256 HydrophobicContact CB-CE2 4.25Å; L251-F256 HydrophobicContact CD1-CZ 4.19Å; A253-F256 PolarHBondContact O-N 3.41Å; T254-F256 VanDerWaalsContact C-N 3.3Å; T254-F256 PolarHBondContact O-N 3.41Å |
| 257 | S | 40.7 | Very low | 44.3 | Very low | 93 Ų | 93 | 111.9 Ų | 111.9 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -94 | -5.9 | 179.3 | -54.8 | 0 | 0 | 0 | 0 | 113.6 | A253 T254 V255 | A253-S257 PolarHBondContact O-OG 2.83Å; A253-S257 VanDerWaalsContact O-OG 3.08Å; T254-S257 WeakPolarHBondContact CA-OG 3.43Å; T254-S257 WeakPolarHBondContact O-CB 3.27Å; T254-S257 PolarHBondContact O-N 2.98Å; T254-S257 VanDerWaalsContact O-N 3.12Å; V255-S257 VanDerWaalsContact C-N 3.25Å; V255-S257 PolarHBondContact O-N 3.18Å |
| 258 | C | 38 | Very low | 44 | Very low | 90 Ų | 90 | 110.3 Ų | 110.3 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -92.9 | 132.1 | 169.6 | -65.2 | 0 | 0 | 0 | 0 | 109.2 | F260 | C258-F260 PolarHBondContact O-N 3.02Š|
| 259 | A | 40.8 | Very low | 44.1 | Very low | 100 Ų | 100 | 109 Ų | 109 | 83% | 0.826 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 129.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | E261 | A259-E261 PolarHBondContact O-N 2.87Š|
| 260 | F | 48.4 | Very low | 44.4 | Very low | 140 Ų | 140 | 104.7 Ų | 104.7 | 61% | 0.614 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -61 | 117.9 | -175.1 | -65.3 | -86.1 | 0 | 0 | 0 | 111.1 | Y204 C258 Q262 | Y204-F260 HydrophobicContact CE2-CE1 4.32Å; C258-F260 PolarHBondContact O-N 3.02Å; F260-Q262 PolarHBondContact O-N 2.93Å |
| 261 | E | 39.3 | Very low | 44.8 | Very low | 148 Ų | 148 | 107 Ų | 107 | 69% | 0.692 | 58% | 0.576 | S | S | * | * | trans | -70.9 | 108.6 | 174.3 | -174.8 | -175.4 | -155.6 | 0 | 0 | 109.3 | A259 K263 | A259-E261 PolarHBondContact O-N 2.87Å; E261-K263 HydrophobicContact CG-CG 4.34Å; E261-K263 PolarHBondContact O-N 2.82Å; E261-K263 WeakPolarHBondContact OE2-CE 3.28Å; E261-K263 IonicContact OE2-NZ 3.5Å; E261-K263 PolarHBondContact OE2-NZ 2.94Å | ||
| 262 | Q | 41 | Very low | 45.5 | Very low | 179 Ų | 179 | 107.2 Ų | 107.2 | 84% | 0.836 | 58% | 0.577 | S | S | * | * | trans | -68.4 | 92.2 | 177.4 | -174.5 | -174 | 1 | 0 | 0 | 110.6 | F260 | F260-Q262 PolarHBondContact O-N 2.93Š| ||
| 263 | K | 45.2 | Very low | 46 | Very low | 142 Ų | 142 | 111.5 Ų | 111.5 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 127.4 | 170.8 | -68.4 | -171.4 | -178.8 | 177.5 | 0 | 110.9 | E261 L265 | E261-K263 HydrophobicContact CG-CG 4.34Å; E261-K263 PolarHBondContact O-N 2.82Å; E261-K263 WeakPolarHBondContact OE2-CE 3.28Å; E261-K263 IonicContact OE2-NZ 3.5Å; E261-K263 PolarHBondContact OE2-NZ 2.94Å; K263-L265 PolarHBondContact O-N 3.32Å |
| 264 | M | 39.4 | Very low | 46.2 | Very low | 160 Ų | 160 | 113.8 Ų | 113.8 | 79% | 0.788 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 117.6 | 169.6 | -63.7 | -126.9 | -64.3 | 0 | 0 | 109.5 | ||
| 265 | L | 41.8 | Very low | 46.3 | Very low | 97 Ų | 97 | 112.9 Ų | 112.9 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -86.5 | 117.6 | 170.8 | -77.2 | 159.9 | 0 | 0 | 0 | 108.9 | E5 V7 K263 I267 | E5-L265 HydrophobicContact CB-CD2 4Å; E5-L265 WeakPolarHBondContact O-CD2 3.35Å; V7-L265 HydrophobicContact CG2-CD2 4.24Å; K263-L265 PolarHBondContact O-N 3.32Å; L265-I267 HydrophobicContact CB-CG1 4.44Å; L265-I267 PolarHBondContact O-N 3.41Å |
| 266 | N | 38 | Very low | 46.2 | Very low | 70 Ų | 70 | 116.4 Ų | 116.4 | 37% | 0.374 | 61% | 0.608 | S | S | . | * | trans | -78.6 | 86.2 | 176.7 | -82.1 | -24 | 0 | 0 | 0 | 109.5 | E4 T6 V7 H268 | E4-N266 PolarHBondContact OE2-ND2 2.93Å; T6-N266 VanDerWaalsContact CA-O 3.26Å; T6-N266 WeakPolarHBondContact CA-O 3.46Å; T6-N266 HydrophobicContact CG2-CB 3.98Å; V7-N266 PolarHBondContact N-O 3.12Å; V7-N266 VanDerWaalsContact N-O 3.11Å; N266-H268 PolarHBondContact O-N 3.4Å | ||
| 267 | I | 46.1 | Very low | 45.9 | Very low | 111 Ų | 111 | 115.7 Ų | 115.7 | 57% | 0.569 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.3 | 178.1 | -56.4 | 176.7 | 0 | 0 | 0 | 109.5 | V7 V9 L265 V269 | V7-I267 CarbonylContact O-C 3.58Å; V7-I267 WeakPolarHBondContact O-CA 2.9Å; V9-I267 HydrophobicContact CG2-CG2 4.32Å; L265-I267 HydrophobicContact CB-CG1 4.44Å; L265-I267 PolarHBondContact O-N 3.41Å; I267-V269 HydrophobicContact CG2-CG2 4.28Å |
| 268 | H | 41.9 | Very low | 45.6 | Very low | 110 Ų | 110 | 115.6 Ų | 115.6 | 51% | 0.509 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.5 | 170.6 | -156.5 | 72.9 | 0 | 0 | 0 | 109.4 | V7 N8 V9 N266 D270 | V7-H268 PolarHBondContact O-N 2.92Å; N8-H268 CarbonylContact C-O 3.55Å; N8-H268 WeakPolarHBondContact CA-O 3.47Å; V9-H268 PolarHBondContact N-O 2.77Å; N266-H268 PolarHBondContact O-N 3.4Å; H268-D270 IonicContact CD2-OD1 3.51Å |
| 269 | V | 50.1 | Low | 45.2 | Very low | 66 Ų | 66 | 115.9 Ų | 115.9 | 40% | 0.4 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 108.4 | 177 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | V9 E11 I267 K271 | V9-V269 VanDerWaalsContact O-CA 3.32Å; V9-V269 WeakPolarHBondContact O-CA 3.41Å; E11-V269 HydrophobicContact CB-CG1 4.42Å; I267-V269 HydrophobicContact CG2-CG2 4.28Å; V269-K271 PolarHBondContact O-N 3.3Å |
| 270 | D | 53.9 | Low | 44.9 | Very low | 62 Ų | 62 | 120 Ų | 120 | 33% | 0.332 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71 | 100.4 | 173.8 | -67.4 | -26.5 | 0 | 0 | 0 | 108.1 | V9 K10 E11 H268 | V9-D270 PolarHBondContact O-N 2.89Å; K10-D270 HydrophobicContact CB-CB 4.42Å; K10-D270 HydrophobicContact CG-CB 4.15Å; E11-D270 WeakPolarHBondContact CB-O 3.45Å; E11-D270 PolarHBondContact N-O 3.47Å; H268-D270 IonicContact CD2-OD1 3.51Å |
| 271 | K | 55.7 | Low | 44 | Very low | 178 Ų | 178 | 117 Ų | 117 | 77% | 0.774 | 61% | 0.614 | S | S | * | * | trans | -67.4 | 139.3 | -176.4 | -68.3 | -169.4 | 177.2 | -173.1 | 0 | 112.1 | E11 V269 L273 | E11-K271 VanDerWaalsContact OE2-CA 3.26Å; E11-K271 WeakPolarHBondContact OE2-CA 3.47Å; V269-K271 PolarHBondContact O-N 3.3Å; K271-L273 PolarHBondContact O-N 2.8Å | ||
| 272 | L | 59.3 | Low | 43.7 | Very low | 53 Ų | 53 | 116.2 Ų | 116.2 | 28% | 0.277 | 62% | 0.615 | S | S | . | * | trans | -76 | 120.3 | 176.6 | -179.3 | 58.3 | 0 | 0 | 0 | 110.1 | E11 A12 I15 S38 V40 K274 | E11-L272 HydrophobicContact CB-CB 4.14Å; E11-L272 HydrophobicContact CG-CB 4.24Å; E11-L272 PolarHBondContact OE2-N 3.07Å; A12-L272 HydrophobicContact CB-CD1 4.4Å; I15-L272 HydrophobicContact CD1-CD2 3.93Å; S38-L272 WeakPolarHBondContact O-CD2 3.41Å; V40-L272 HydrophobicContact CG2-CD2 3.6Å; L272-K274 PolarHBondContact O-N 2.98Å | ||
| 273 | L | 54.7 | Low | 43.3 | Very low | 166 Ų | 166 | 112.5 Ų | 112.5 | 87% | 0.869 | 60% | 0.6 | S | S | * | * | trans | -67.7 | 98.5 | 167.8 | -73.8 | 167.8 | 0 | 0 | 0 | 108.8 | K271 | K271-L273 PolarHBondContact O-N 2.8Š| ||
| 274 | K | 53.1 | Low | 42.5 | Very low | 127 Ų | 127 | 112.6 Ų | 112.6 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | trans | -51.3 | 136 | 176 | -65.5 | -169.1 | -177.6 | -170.7 | 0 | 110.3 | L272 T276 E722 | L272-K274 PolarHBondContact O-N 2.98Å; K274-T276 PolarHBondContact O-N 2.89Å; K274-E722 IonicContact NZ-OE1 2.82Å; K274-E722 PolarHBondContact NZ-OE1 3.42Å | ||
| 275 | P | 49.1 | Very low | 42 | Very low | 77 Ų | 77 | 109.8 Ų | 109.8 | 50% | 0.5 | 60% | 0.598 | S | S | . | * | trans | -62.3 | 134.2 | 175.4 | 26.3 | -33.9 | 0 | 0 | 0 | 110.5 | K277 | P275-K277 PolarHBondContact O-N 3.15Š| ||
| 276 | T | 44.5 | Very low | 41.4 | Very low | 147 Ų | 147 | 109.2 Ų | 109.2 | 90% | 0.902 | 60% | 0.601 | S | S | * | * | trans | -64.4 | 101.4 | 178.9 | -23.7 | 0 | 0 | 0 | 0 | 109.4 | K274 A278 | K274-T276 PolarHBondContact O-N 2.89Å; T276-A278 PolarHBondContact O-N 3.11Å | ||
| 277 | K | 42.6 | Very low | 41.1 | Very low | 114 Ų | 114 | 108.8 Ų | 108.8 | 50% | 0.496 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 127.5 | -170.6 | -80.3 | -174.4 | 173.5 | 178.1 | 0 | 112 | P275 Y280 | P275-K277 PolarHBondContact O-N 3.15Å; K277-Y280 HydrophobicContact CD-CD2 4.06Å; K277-Y280 HydrophobicContact CD-CE2 3.66Å; K277-Y280 PolarHBondContact NZ-OH 2.95Å |
| 278 | A | 34.1 | Very low | 40.5 | Very low | 90 Ų | 90 | 107.4 Ų | 107.4 | 74% | 0.744 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 171.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | T276 Y280 | T276-A278 PolarHBondContact O-N 3.11Å; A278-Y280 PolarHBondContact O-N 3.4Å |
| 279 | A | 30.1 | Very low | 39.8 | Very low | 96 Ų | 96 | 106.1 Ų | 106.1 | 79% | 0.793 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 135.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A281 | A279-A281 VanDerWaalsContact C-N 3.26Å; A279-A281 PolarHBondContact O-N 3.4Å |
| 280 | Y | 33.6 | Very low | 38.9 | Very low | 188 Ų | 188 | 111.9 Ų | 111.9 | 74% | 0.737 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -81.8 | 59.8 | -170.7 | -138.9 | -79 | 0 | 0 | 0 | 112 | K277 A278 | K277-Y280 HydrophobicContact CD-CD2 4.06Å; K277-Y280 HydrophobicContact CD-CE2 3.66Å; K277-Y280 PolarHBondContact NZ-OH 2.95Å; A278-Y280 PolarHBondContact O-N 3.4Å |
| 281 | A | 30.9 | Very low | 37.6 | Very low | 76 Ų | 76 | 111 Ų | 111 | 63% | 0.628 | 61% | 0.609 | S | S | * | * | trans | -104.4 | -45.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A279 | A279-A281 VanDerWaalsContact C-N 3.26Å; A279-A281 PolarHBondContact O-N 3.4Å | ||
| 282 | D | 32.5 | Very low | 36.6 | Very low | 131 Ų | 131 | 105 Ų | 105 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -113.3 | 64 | -166.7 | -66.8 | -66.7 | 0 | 0 | 0 | 113 | ||
| 283 | L | 32.9 | Very low | 35.4 | Very low | 102 Ų | 102 | 107.3 Ų | 107.3 | 53% | 0.534 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -153.9 | 47.2 | -179.3 | -119.9 | 162.7 | 0 | 0 | 0 | 116.5 | K36 | K36-L283 HydrophobicContact CD-CD1 4.01Å; K36-L283 HydrophobicContact CD-CD2 4.07Å; K36-L283 HydrophobicContact CD-CG 4.47Å |
| 284 | L | 27.9 | Very low | 34.2 | Very low | 144 Ų | 144 | 108 Ų | 108 | 75% | 0.754 | 60% | 0.6 | S | S | * | * | trans | -167.1 | 68.9 | 147 | -109.3 | 173.6 | 0 | 0 | 0 | 111 | P286 | L284-P286 WeakPolarHBondContact O-CD 3.47Š| ||
| 285 | T | 28.9 | Very low | 33.4 | Very low | 100 Ų | 100 | 107 Ų | 107 | 61% | 0.613 | 61% | 0.607 | S | S | * | * | trans | -96.9 | 96.6 | 168.2 | -50.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 286 | P | 29.8 | Very low | 32.3 | Very low | 86 Ų | 86 | 109.3 Ų | 109.3 | 56% | 0.558 | 62% | 0.624 | S | S | * | * | trans | -62.8 | 142.9 | 162.7 | 29 | -33.7 | 0 | 0 | 0 | 109.1 | L284 | L284-P286 WeakPolarHBondContact O-CD 3.47Š| ||
| 287 | L | 32 | Very low | 31.4 | Very low | 60 Ų | 60 | 107.3 Ų | 107.3 | 31% | 0.314 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -51.9 | 152.4 | 162.7 | -94.6 | 162 | 0 | 0 | 0 | 110.3 | E93 P157 | E93-L287 HydrophobicContact CG-CD1 4.41Å; P157-L287 HydrophobicContact CB-CD1 3.22Å; P157-L287 HydrophobicContact CG-CD1 3.72Å |
| 288 | I | 32.1 | Very low | 31.1 | Very low | 82 Ų | 82 | 107 Ų | 107 | 42% | 0.421 | 63% | 0.626 | S | S | . | * | S | Bend | trans | 76.6 | 56.3 | -171 | -43.2 | 152.7 | 0 | 0 | 0 | 112.8 | V97 A100 | V97-I288 HydrophobicContact CB-CG1 4.21Å; V97-I288 HydrophobicContact CG1-CB 4.29Å; V97-I288 HydrophobicContact CG1-CG1 3.95Å; V97-I288 HydrophobicContact CG1-CG2 3.82Å; V97-I288 HydrophobicContact CG2-CG1 3.8Å; A100-I288 HydrophobicContact CB-CD1 3.59Å |
| 289 | S | 28.4 | Very low | 30.9 | Very low | 83 Ų | 83 | 111.4 Ų | 111.4 | 58% | 0.58 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -153.2 | 13.4 | 162.5 | 60.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 290 | K | 30.9 | Very low | 30.6 | Very low | 188 Ų | 188 | 117.8 Ų | 117.8 | 82% | 0.817 | 64% | 0.637 | S | S | * | * | trans | -137.5 | 68.4 | 174.4 | -73.8 | -170.5 | 179.9 | 174.8 | 0 | 112.8 | ||||
| 291 | L | 26.4 | Very low | 30.4 | Very low | 42 Ų | 42 | 117.8 Ų | 117.8 | 22% | 0.22 | 64% | 0.636 | C | S | . | * | trans | -114.4 | 115.2 | 160.9 | -84.1 | 141.1 | 0 | 0 | 0 | 107.3 | V97 F112 T113 E116 | V97-L291 HydrophobicContact CB-CD1 4.04Å; V97-L291 HydrophobicContact CG1-CD1 3.38Å; V97-L291 HydrophobicContact CG2-CD1 4.33Å; F112-L291 HydrophobicContact CD1-CB 4.4Å; F112-L291 HydrophobicContact CD1-CD2 4.14Å; F112-L291 HydrophobicContact CE1-CD2 4.22Å; T113-L291 HydrophobicContact CG2-CD1 3.46Å; T113-L291 VanDerWaalsContact CG2-CD1 3.46Å; T113-L291 HydrophobicContact CG2-CD2 3.73Å; T113-L291 HydrophobicContact CG2-CG 4.19Å; E116-L291 HydrophobicContact CG-CD2 4.42Å; E116-L291 VanDerWaalsContact OE2-CD2 3.25Å; E116-L291 WeakPolarHBondContact OE2-CD2 3.43Å | ||
| 292 | S | 35.1 | Very low | 30.4 | Very low | 52 Ų | 52 | 117.3 Ų | 117.3 | 36% | 0.364 | 63% | 0.626 | S | S | . | * | trans | -83.5 | 170.3 | -157.4 | 72.4 | 0 | 0 | 0 | 0 | 114 | F112 | F112-S292 WeakPolarHBondContact CD1-O 2.99Å; F112-S292 VanDerWaalsContact CE1-O 3.22Å; F112-S292 WeakPolarHBondContact CE1-O 3.4Å; F112-S292 VanDerWaalsContact CZ-O 3.25Å; F112-S292 WeakPolarHBondContact CZ-O 3.44Å; F112-S292 WeakPolarHBondContact CZ-OG 3.39Å | ||
| 293 | P | 34.7 | Very low | 30.6 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | -141.9 | 161.8 | 94 | 21.1 | 1 | 0 | 0 | 0 | 113.4 | |||||
| 294 | Y | 28.9 | Very low | 31.1 | Very low | 180 Ų | 180 | 117.4 Ų | 117.4 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | cis | -152.8 | -155.2 | -17.3 | -134.2 | -46.1 | 0 | 0 | 0 | 108.2 | F112 | F112-Y294 HydrophobicContact CE2-CD2 4.46Å; F112-Y294 HydrophobicContact CE2-CE2 4.11Å | ||
| 295 | P | 36.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 70% | 0.695 | 61% | 0.607 | S | S | * | * | trans | -97.4 | 165.1 | -142.3 | 41.6 | -33.4 | 0 | 0 | 0 | 115.7 | ||||
| 296 | S | 24.5 | Very low | 32.1 | Very low | 124 Ų | 124 | 112 Ų | 112 | 87% | 0.867 | 60% | 0.6 | S | S | * | * | trans | -131.5 | 130.7 | 142.3 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 297 | S | 26.9 | Very low | 32.8 | Very low | 106 Ų | 106 | 110.5 Ų | 110.5 | 74% | 0.741 | 60% | 0.595 | S | S | * | * | trans | -127.4 | 161.7 | 176.5 | 80.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 298 | P | 36.2 | Very low | 33.5 | Very low | 107 Ų | 107 | 114 Ų | 114 | 70% | 0.695 | 61% | 0.605 | S | S | * | * | cis | -139.2 | 159.4 | 30.7 | 41.2 | -23.1 | 0 | 0 | 0 | 117.9 | ||||
| 299 | M | 28.8 | Very low | 34.3 | Very low | 182 Ų | 182 | 110.5 Ų | 110.5 | 90% | 0.897 | 59% | 0.587 | S | S | * | * | trans | 55.2 | 74.5 | 136.3 | -165 | 152.3 | 56.2 | 0 | 0 | 118.6 | ||||
| 300 | R | 25.5 | Very low | 35.3 | Very low | 231 Ų | 231 | 110 Ų | 110 | 87% | 0.872 | 58% | 0.581 | S | S | * | * | trans | -129.5 | 130.7 | 144.5 | -88.5 | -170.9 | 173 | -175.2 | -1 | 110.4 | ||||
| 301 | R | 29 | Very low | 36.2 | Very low | 188 Ų | 188 | 110.1 Ų | 110.1 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | trans | -61.9 | 128.2 | 163.4 | 178.9 | -172.3 | -75.8 | -174.5 | -4 | 108 | Q303 D306 | R301-Q303 PolarHBondContact O-N 3.01Å; R301-D306 IonicContact NH1-OD2 2.68Å; R301-D306 PolarHBondContact NH1-OD2 3.28Å | ||
| 302 | P | 31.2 | Very low | 37.2 | Very low | 65 Ų | 65 | 110 Ų | 110 | 42% | 0.422 | 58% | 0.579 | S | S | . | * | trans | -61.6 | 123.8 | 172.7 | -22.2 | 33.7 | 0 | 0 | 0 | 110.5 | S304 A305 | P302-S304 PolarHBondContact O-N 3.34Å; P302-S304 VanDerWaalsContact O-N 3.07Å; P302-A305 PolarHBondContact O-N 3.14Å | ||
| 303 | Q | 35.3 | Very low | 37.9 | Very low | 177 Ų | 177 | 111.2 Ų | 111.2 | 83% | 0.827 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -2.7 | 178.9 | -67.9 | -178.2 | -79.7 | 0 | 0 | 113.4 | R301 | R301-Q303 PolarHBondContact O-N 3.01Š|
| 304 | S | 44.5 | Very low | 38.5 | Very low | 59 Ų | 59 | 111.2 Ų | 111.2 | 41% | 0.413 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -35.5 | 177 | 45.2 | 0 | 0 | 0 | 0 | 113.9 | P302 D306 A307 Y308 | P302-S304 PolarHBondContact O-N 3.34Å; P302-S304 VanDerWaalsContact O-N 3.07Å; S304-D306 PolarHBondContact O-N 2.72Å; S304-A307 WeakPolarHBondContact O-CA 3.34Å; S304-A307 WeakPolarHBondContact O-CB 3.45Å; S304-A307 PolarHBondContact O-N 3.05Å; S304-Y308 WeakPolarHBondContact O-CD2 3.1Å; S304-Y308 PolarHBondContact O-N 2.96Å |
| 305 | A | 36.4 | Very low | 39 | Very low | 42 Ų | 42 | 108.8 Ų | 108.8 | 35% | 0.347 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.5 | -45.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P302 A307 | P302-A305 PolarHBondContact O-N 3.14Å; A305-A307 PolarHBondContact O-N 3.21Å |
| 306 | D | 39.8 | Very low | 39.1 | Very low | 87 Ų | 87 | 107.7 Ų | 107.7 | 47% | 0.465 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.4 | -17.4 | 174.3 | -62.9 | -39.8 | 0 | 0 | 0 | 112.4 | R301 S304 T310 | R301-D306 IonicContact NH1-OD2 2.68Å; R301-D306 PolarHBondContact NH1-OD2 3.28Å; S304-D306 PolarHBondContact O-N 2.72Å; D306-T310 PolarHBondContact O-OG1 2.67Å |
| 307 | A | 46.1 | Very low | 39.9 | Very low | 56 Ų | 56 | 109.8 Ų | 109.8 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -93.7 | -31.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S304 A305 | S304-A307 WeakPolarHBondContact O-CA 3.34Å; S304-A307 WeakPolarHBondContact O-CB 3.45Å; S304-A307 PolarHBondContact O-N 3.05Å; A305-A307 PolarHBondContact O-N 3.21Å |
| 308 | Y | 46.8 | Very low | 40.3 | Very low | 133 Ų | 133 | 110.7 Ų | 110.7 | 52% | 0.522 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.8 | -61 | -180 | -79.6 | -80 | 0 | 0 | 0 | 111.9 | S304 T310 R311 | S304-Y308 WeakPolarHBondContact O-CD2 3.1Å; S304-Y308 PolarHBondContact O-N 2.96Å; Y308-T310 PolarHBondContact O-N 3.11Å; Y308-R311 PolarHBondContact O-N 3.2Å; Y308-R311 VanDerWaalsContact O-N 3.1Å |
| 309 | M | 48.8 | Very low | 40.5 | Very low | 8 Ų | 8 | 108.9 Ų | 108.9 | 4% | 0.039 | 58% | 0.579 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -51.6 | -26.2 | 178.5 | -78.2 | -68.1 | -62.8 | 0 | 0 | 114.2 | F67 L71 I176 R311 L313 | F67-M309 HydrophobicContact CE1-SD 4.24Å; F67-M309 HydrophobicContact CE2-CG 4.09Å; F67-M309 HydrophobicContact CE2-SD 4.26Å; F67-M309 HydrophobicContact CZ-CG 4.26Å; F67-M309 HydrophobicContact CZ-SD 3.8Å; L71-M309 HydrophobicContact CD2-CE 3.88Å; L71-M309 HydrophobicContact CG-CE 4.12Å; I176-M309 HydrophobicContact CD1-CE 4.23Å; I176-M309 HydrophobicContact CD1-SD 3.85Å; I176-M309 HydrophobicContact CG1-CE 4.38Å; M309-R311 PolarHBondContact O-N 2.89Å; M309-L313 HydrophobicContact CB-CD1 4.45Å; M309-L313 HydrophobicContact CE-CD1 4.15Å; M309-L313 VanDerWaalsContact O-CG 3.32Å; M309-L313 WeakPolarHBondContact O-CG 3.35Å; M309-L313 PolarHBondContact O-N 2.88Å |
| 310 | T | 48.5 | Very low | 41 | Very low | 74 Ų | 74 | 108.7 Ų | 108.7 | 45% | 0.454 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60 | -25.5 | -179.9 | -71.5 | 0 | 0 | 0 | 0 | 113.5 | D306 Y308 N314 | D306-T310 PolarHBondContact O-OG1 2.67Å; Y308-T310 PolarHBondContact O-N 3.11Å; T310-N314 PolarHBondContact O-N 2.91Å |
| 311 | R | 50.3 | Low | 41.1 | Very low | 189 Ų | 189 | 103.5 Ų | 103.5 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.7 | -55.4 | 179.6 | -68.9 | -174.9 | 177.5 | -171.1 | -1 | 112.7 | Y308 M309 L313 N314 | Y308-R311 PolarHBondContact O-N 3.2Å; Y308-R311 VanDerWaalsContact O-N 3.1Å; M309-R311 PolarHBondContact O-N 2.89Å; R311-L313 PolarHBondContact O-N 2.93Å; R311-N314 PolarHBondContact O-N 3.12Å |
| 312 | S | 48.2 | Very low | 41.1 | Very low | 39 Ų | 39 | 101.1 Ų | 101.1 | 27% | 0.273 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.4 | -21.2 | -180 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | D48 | D48-S312 VanDerWaalsContact OD2-CB 3.28Å; D48-S312 WeakPolarHBondContact OD2-CB 3.13Å; D48-S312 PolarHBondContact OD2-OG 2.81Å |
| 313 | L | 49.2 | Very low | 40.9 | Very low | 79 Ų | 79 | 101 Ų | 101 | 41% | 0.414 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -90.1 | -12.2 | -179.7 | -65 | 175.2 | 0 | 0 | 0 | 115 | M309 R311 | M309-L313 HydrophobicContact CB-CD1 4.45Å; M309-L313 HydrophobicContact CE-CD1 4.15Å; M309-L313 VanDerWaalsContact O-CG 3.32Å; M309-L313 WeakPolarHBondContact O-CG 3.35Å; M309-L313 PolarHBondContact O-N 2.88Å; R311-L313 PolarHBondContact O-N 2.93Å |
| 314 | N | 46.3 | Very low | 40.6 | Very low | 103 Ų | 103 | 101 Ų | 101 | 55% | 0.551 | 61% | 0.607 | S | S | * | * | trans | -138.7 | 83.9 | -176.9 | -79.7 | -68.9 | 0 | 0 | 0 | 113.4 | T310 R311 A316 | T310-N314 PolarHBondContact O-N 2.91Å; R311-N314 PolarHBondContact O-N 3.12Å; N314-A316 PolarHBondContact O-N 2.91Å | ||
| 315 | P | 41.1 | Very low | 39.8 | Very low | 128 Ų | 128 | 104.3 Ų | 104.3 | 83% | 0.831 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 27.1 | -174.4 | 33.4 | -38.4 | 0 | 0 | 0 | 115.1 | ||
| 316 | A | 37.4 | Very low | 39.5 | Very low | 84 Ų | 84 | 108.9 Ų | 108.9 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -0.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N314 | N314-A316 PolarHBondContact O-N 2.91Š|
| 317 | L | 42.2 | Very low | 39 | Very low | 169 Ų | 169 | 114 Ų | 114 | 89% | 0.885 | 66% | 0.664 | S | S | * | * | trans | -129.9 | 43.3 | -173.6 | -68.3 | 174.8 | 0 | 0 | 0 | 112.6 | ||||
| 318 | D | 34.6 | Very low | 38.2 | Very low | 124 Ų | 124 | 118.1 Ų | 118.1 | 66% | 0.663 | 68% | 0.678 | S | S | * | * | trans | -108 | 73.7 | -169.7 | -170.1 | 35.7 | 0 | 0 | 0 | 112.3 | K181 | K181-D318 IonicContact NZ-OD2 3.7Å; K181-D318 PolarHBondContact NZ-OD2 3.01Å | ||
| 319 | G | 40.5 | Very low | 37.4 | Very low | 69 Ų | 69 | 120.3 Ų | 120.3 | 71% | 0.711 | 69% | 0.69 | S | S | * | * | trans | 179.5 | 66.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 320 | L | 39.6 | Very low | 36.4 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 94% | 0.937 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -168.2 | 59.6 | 156.6 | -112 | 171.9 | 0 | 0 | 0 | 114.1 | ||
| 321 | S | 28.4 | Very low | 35.4 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -160.4 | 65.4 | 169.1 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 322 | C | 27.5 | Very low | 34.3 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 93% | 0.932 | 75% | 0.746 | S | S | * | * | trans | -137.3 | 142.5 | 170.1 | -165.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 323 | G | 27.4 | Very low | 33.3 | Very low | 63 Ų | 63 | 136 Ų | 136 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | 89.7 | 145.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 324 | L | 29.3 | Very low | 32.3 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 93% | 0.927 | 79% | 0.79 | S | S | * | * | cis | -137.4 | 145.9 | 12.4 | -66.8 | 167.8 | 0 | 0 | 0 | 111.9 | ||||
| 325 | T | 27.3 | Very low | 31.3 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -130.3 | 150.4 | 156.8 | 49.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 326 | N | 30.8 | Very low | 30.5 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 60.8 | 114.5 | 172.4 | -55.3 | -18.4 | 0 | 0 | 0 | 117.7 | ||||
| 327 | H | 28.9 | Very low | 29.9 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | -170.7 | 162.9 | 100.9 | -104 | -73.5 | 0 | 0 | 0 | 112.1 | |||||
| 328 | D | 29.3 | Very low | 29.2 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -121 | 161.9 | -178.7 | -176.5 | 18.9 | 0 | 0 | 0 | 110.5 | ||||
| 329 | K | 30.6 | Very low | 29 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | 95.7 | 91.6 | 175.8 | -56.7 | 171.6 | -177.1 | 171.4 | 0 | 118.7 | ||||
| 330 | R | 27.8 | Very low | 28.6 | Very low | 229 Ų | 229 | 142.5 Ų | 142.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | 57.3 | 110.8 | 112.2 | -161.5 | -156.7 | -70.5 | -162.4 | -2.4 | 119.4 | |||||
| 331 | I | 27.4 | Very low | 27.9 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | 173.3 | 157.9 | 126.3 | -89.9 | 161 | 0 | 0 | 0 | 112 | |||||
| 332 | T | 27.1 | Very low | 27.9 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | -51.4 | 167.3 | -179.2 | 57.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 333 | D | 25.9 | Very low | 27.8 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | cis | -160.4 | 167 | 19.7 | -145.3 | -9.5 | 0 | 0 | 0 | 114.8 | ||||
| 334 | L | 28.4 | Very low | 27.8 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 17.6 | 134.2 | 150.8 | -152.8 | 74.2 | 0 | 0 | 0 | 122.1 | ||||
| 335 | G | 25.3 | Very low | 27.6 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | trans | 173.8 | 36.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 336 | T | 24.1 | Very low | 27.7 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 53.2 | 132.7 | 153.8 | 44.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 337 | K | 26 | Very low | 27.4 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | trans | 92.7 | 123 | 136.9 | -75.7 | 168.2 | -178.3 | 177.5 | 0 | 122.6 | ||||
| 338 | T | 26.1 | Very low | 27.2 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | 62.7 | 102.2 | 138 | 58.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 339 | S | 30.4 | Very low | 26.9 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -61.3 | 161.2 | 133.8 | -35.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 340 | P | 32.4 | Very low | 26.5 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | -142.3 | 175.4 | 110.1 | 39 | -26.7 | 0 | 0 | 0 | 115.9 | |||||
| 341 | M | 25.1 | Very low | 27.2 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 86% | 0.857 | 74% | 0.738 | S | S | * | * | trans | -49.4 | 173.3 | 164.4 | -61.8 | 159.6 | -83.8 | 0 | 0 | 112.9 | ||||
| 342 | S | 28.4 | Very low | 27 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 58% | 0.58 | 73% | 0.732 | S | S | * | * | cis | -161.5 | -177.4 | 31.1 | -146.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 343 | H | 25.2 | Very low | 27.1 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | cis | -141.3 | 163.5 | 18.2 | -55.8 | -108.2 | 0 | 0 | 0 | 109.8 | ||||
| 344 | S | 27.2 | Very low | 27 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 53% | 0.531 | 74% | 0.739 | S | S | . | * | cis | 81.4 | 148.4 | 18.7 | -152.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 345 | F | 26.3 | Very low | 26.8 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 74% | 0.737 | 74% | 0.736 | S | S | * | * | cis | -94 | -139.5 | -3.1 | -79.5 | -93.7 | 0 | 0 | 0 | 110.3 | ||||
| 346 | A | 28 | Very low | 26.8 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | cis | -166.2 | 176.6 | 6.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 347 | N | 25.2 | Very low | 26.9 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 52% | 0.519 | 75% | 0.745 | S | S | . | * | cis | 174.7 | 141.6 | -39.1 | -83.5 | -11.6 | 0 | 0 | 0 | 104.4 | ||||
| 348 | F | 25.3 | Very low | 26.8 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -147.9 | -179.7 | -4.2 | -84.9 | -43.3 | 0 | 0 | 0 | 105.9 | ||||
| 349 | H | 22.9 | Very low | 26.7 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | cis | -162.7 | -177 | 46.7 | -62.1 | 83.4 | 0 | 0 | 0 | 111.9 | ||||
| 350 | Y | 22.2 | Very low | 26.4 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -141.2 | -176.5 | -177.1 | -112.4 | -113.5 | 0 | 0 | 0 | 107.6 | ||||
| 351 | P | 41.1 | Very low | 26 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | cis | -143.4 | 169.8 | 19.5 | 42.3 | -23.2 | 0 | 0 | 0 | 119.4 | ||||
| 352 | G | 25.1 | Very low | 26 | Very low | 64 Ų | 64 | 139.8 Ų | 139.8 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | 140.2 | 130.7 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 353 | V | 27.6 | Very low | 25.8 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | cis | -169 | 150.6 | -31.5 | 121.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 354 | Q | 25.7 | Very low | 25.7 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | trans | 76.1 | 170.3 | 164.8 | -86 | 167.1 | 25.7 | 0 | 0 | 121.3 | ||||
| 355 | N | 22.8 | Very low | 25.7 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | -139.1 | 178.1 | -151.9 | -70.8 | -45.3 | 0 | 0 | 0 | 112.6 | ||||
| 356 | L | 25.4 | Very low | 25.5 | Very low | 173 Ų | 173 | 144 Ų | 144 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | 96.5 | 142.6 | 152.5 | -73.1 | 158.1 | 0 | 0 | 0 | 119.4 | ||||
| 357 | S | 25.7 | Very low | 25.4 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -94 | 145.8 | -171.6 | 54 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 358 | R | 24.8 | Very low | 25.5 | Very low | 252 Ų | 252 | 147.2 Ų | 147.2 | 95% | 0.951 | 77% | 0.765 | S | S | * | * | trans | -166.9 | 175.9 | 131.2 | -117.5 | 176.5 | 178.2 | 174.8 | -0.9 | 113.5 | ||||
| 359 | S | 23.3 | Very low | 25.3 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -102.5 | 173.3 | -173 | -42.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 360 | L | 24.3 | Very low | 25.4 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 93.9 | 115.4 | 156.6 | -63.3 | 163.7 | 0 | 0 | 0 | 120 | ||||
| 361 | M | 24.5 | Very low | 25.5 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 77% | 0.768 | 75% | 0.753 | S | S | * | * | 76.2 | 124 | 129.1 | -74.4 | -174.3 | 172.7 | 0 | 0 | 123.8 | |||||
| 362 | L | 24.4 | Very low | 24.7 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | 78.9 | 114.1 | 129.2 | -67.9 | 170.3 | 0 | 0 | 0 | 122.3 | |||||
| 363 | E | 23.8 | Very low | 24.6 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | 77.4 | 130.6 | 125.6 | -84.1 | -175.5 | -155.8 | 0 | 0 | 124.1 | |||||
| 364 | N | 24.8 | Very low | 24.5 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | 67.1 | 159.5 | 140 | -62.1 | -28.7 | 0 | 0 | 0 | 117.3 | ||||
| 365 | T | 26 | Very low | 24.9 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 68% | 0.681 | 75% | 0.752 | S | S | * | * | cis | -154.7 | 155.1 | 20.6 | -35.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 366 | E | 23.4 | Very low | 25 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | trans | -155.5 | 148.9 | 132.3 | -119.6 | 170.5 | -157.7 | 0 | 0 | 111.5 | ||||
| 367 | C | 25.9 | Very low | 25 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | trans | -129.8 | 154.4 | -175 | -60.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 368 | H | 25.9 | Very low | 24.8 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | -168.8 | 176.4 | 67 | -83.9 | -76.8 | 0 | 0 | 0 | 108.5 | I370 | H368-I370 HydrophobicContact CB-CD1 4.29Š| |||
| 369 | S | 21.6 | Very low | 24.8 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | cis | -146.8 | 136.1 | 28.7 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 370 | I | 25.7 | Very low | 25 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 55% | 0.554 | 73% | 0.726 | S | S | * | * | 57.6 | 129 | 84 | -49.1 | 154.5 | 0 | 0 | 0 | 111.3 | H368 | H368-I370 HydrophobicContact CB-CD1 4.29Š| |||
| 371 | F | 24.6 | Very low | 25.6 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 80% | 0.803 | 72% | 0.724 | S | S | * | * | cis | -88.9 | -155.8 | 8.1 | -77.6 | -81.2 | 0 | 0 | 0 | 112.3 | ||||
| 372 | E | 23.5 | Very low | 25.6 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | cis | -156.2 | -161.6 | 11.6 | -152.1 | 145.5 | -80 | 0 | 0 | 113.2 | ||||
| 373 | E | 22.9 | Very low | 25.7 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -139.9 | 166.4 | -161 | -82.1 | -148.3 | 78.8 | 0 | 0 | 110.4 | ||||
| 374 | S | 26 | Very low | 26.1 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | cis | -176.8 | -165.4 | -11.8 | -90.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 375 | P | 34.4 | Very low | 26.1 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | -128.2 | -153.7 | -65.5 | 41.4 | -25.7 | 0 | 0 | 0 | 113.2 | |||||
| 376 | E | 23.3 | Very low | 26.1 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | -86.1 | 174.6 | -175.1 | -44.1 | 178.7 | 140.4 | 0 | 0 | 116.9 | ||||
| 377 | R | 25.8 | Very low | 26.9 | Very low | 214 Ų | 214 | 137.3 Ų | 137.3 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | trans | 76.3 | 143.2 | 156.3 | -64.7 | 164.7 | -152.7 | -140.6 | -0.5 | 117.7 | ||||
| 378 | S | 22.8 | Very low | 26.8 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | cis | -159.5 | -162 | -14.5 | 54.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 379 | D | 23.3 | Very low | 26.7 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | cis | -161.7 | -164.1 | 12.9 | -140.8 | -62.5 | 0 | 0 | 0 | 112.3 | ||||
| 380 | T | 28.1 | Very low | 27 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -106.6 | 161.8 | 172.6 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 381 | P | 36.2 | Very low | 27 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -150.3 | 179.2 | 27.8 | 44.9 | -24.2 | 0 | 0 | 0 | 119.3 | ||||
| 382 | V | 25.1 | Very low | 27 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | 71.7 | 143.6 | 144.9 | 161.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 383 | E | 27.4 | Very low | 26.9 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -57.7 | 159.8 | 171.8 | -82.8 | -173.8 | 131.6 | 0 | 0 | 115.9 | ||||
| 384 | P | 32.3 | Very low | 26.9 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | -151.5 | -160 | 69.7 | 42 | -19 | 0 | 0 | 0 | 117.7 | |||||
| 385 | Q | 24.7 | Very low | 26.9 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | trans | -105 | 151.4 | -150.2 | -56.9 | 169.6 | -16.6 | 0 | 0 | 117.2 | ||||
| 386 | H | 25.2 | Very low | 26.3 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | 63.2 | 176.5 | 143.4 | -75.6 | -43.4 | 0 | 0 | 0 | 119.2 | ||||
| 387 | P | 39.6 | Very low | 26.3 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | cis | -130.9 | -159.6 | -1.3 | 26.6 | -0.8 | 0 | 0 | 0 | 114.8 | ||||
| 388 | I | 24.6 | Very low | 26.4 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | trans | 85.5 | 131.6 | 160.9 | -55.3 | 172.4 | 0 | 0 | 0 | 114.5 | ||||
| 389 | S | 24.8 | Very low | 27.3 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | cis | -150.7 | 141 | 10.6 | 42.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 390 | S | 26 | Very low | 27.5 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | 27.4 | 144.4 | 139.1 | 66.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 391 | E | 26 | Very low | 27.4 | Very low | 168 Ų | 168 | 134 Ų | 134 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | cis | 178.1 | -158.8 | -14.8 | -112.8 | 158.7 | -87.6 | 0 | 0 | 107.7 | ||||
| 392 | T | 24.3 | Very low | 27.1 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -158.9 | 156.7 | 8 | -17.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 393 | L | 23.3 | Very low | 27.6 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | 66.2 | 168.4 | 150.5 | -80 | 165 | 0 | 0 | 0 | 122.5 | ||||
| 394 | C | 21.9 | Very low | 27.7 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | trans | -141.9 | -176.8 | -155.5 | -57.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 395 | H | 25.7 | Very low | 27.5 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | 95.6 | 95.4 | 159.2 | -81.1 | -76.2 | 0 | 0 | 0 | 122.4 | ||||
| 396 | S | 22.3 | Very low | 27.5 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | 47.1 | 129 | 121.1 | 61.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 397 | S | 23.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | 144.3 | 166.3 | 129.4 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 398 | V | 27.2 | Very low | 27.6 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -134.8 | 136 | -157.5 | 163.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 399 | P | 42.4 | Very low | 28 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | -141.6 | -170.2 | 99.5 | 43.6 | -27.7 | 0 | 0 | 0 | 111.7 | |||||
| 400 | E | 26.5 | Very low | 28.4 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | cis | -158.2 | 166.7 | 9 | -151.7 | 172 | -96.1 | 0 | 0 | 112.1 | ||||
| 401 | N | 25.9 | Very low | 28.7 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 77.1 | 130.2 | 158.5 | -65.6 | -54 | 0 | 0 | 0 | 122.1 | ||||
| 402 | E | 29.2 | Very low | 29.1 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 75% | 0.753 | S | S | * | * | trans | -140 | 163.8 | 168.2 | -147.7 | -156.5 | -105 | 0 | 0 | 107.7 | V404 | E402-V404 WeakPolarHBondContact OE2-CG2 3.28Å; E402-V404 PolarHBondContact OE2-N 3.47Å | ||
| 403 | P | 36.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | -154.1 | 134.2 | 93.5 | 36.9 | -16.9 | 0 | 0 | 0 | 118.2 | |||||
| 404 | V | 30.1 | Very low | 30.5 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | 63.8 | 124.5 | 123.1 | -176.5 | 0 | 0 | 0 | 0 | 121.9 | E402 | E402-V404 WeakPolarHBondContact OE2-CG2 3.28Å; E402-V404 PolarHBondContact OE2-N 3.47Å | |||
| 405 | N | 26.5 | Very low | 31.3 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 88% | 0.882 | 73% | 0.729 | S | S | * | * | trans | 79 | 127.2 | 153.4 | -76.8 | -16.7 | 0 | 0 | 0 | 122 | ||||
| 406 | G | 25.5 | Very low | 32 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | 168.9 | 58 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 407 | A | 33.2 | Very low | 33 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | trans | -90.2 | 105.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 408 | Q | 34 | Very low | 34 | Very low | 182 Ų | 182 | 125 Ų | 125 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | trans | -171.7 | 164.1 | 149.7 | -105.7 | 161.8 | 7 | 0 | 0 | 110.2 | ||||
| 409 | N | 32 | Very low | 34.9 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | trans | 80.4 | 58 | -178.3 | -57.4 | -14.8 | 0 | 0 | 0 | 118.5 | ||||
| 410 | Q | 33.3 | Very low | 35.1 | Very low | 177 Ų | 177 | 122.9 Ų | 122.9 | 83% | 0.827 | 68% | 0.676 | S | S | * | * | trans | -126.7 | 10 | 156.5 | -76 | -165 | -2.2 | 0 | 0 | 114.5 | ||||
| 411 | A | 33.3 | Very low | 36.1 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -83.9 | -51 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | A413 K414 | A411-A413 PolarHBondContact O-N 3.48Å; A411-K414 PolarHBondContact O-N 2.91Å |
| 412 | S | 33.7 | Very low | 37.2 | Very low | 66 Ų | 66 | 119.3 Ų | 119.3 | 46% | 0.462 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -57.5 | -47.7 | -173.9 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | K414 Q415 E416 | S412-K414 PolarHBondContact O-N 3.48Å; S412-Q415 WeakPolarHBondContact O-CA 3.23Å; S412-Q415 PolarHBondContact O-N 3.33Å; S412-E416 PolarHBondContact O-N 3.14Å |
| 413 | A | 35 | Very low | 38.5 | Very low | 63 Ų | 63 | 114.8 Ų | 114.8 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66 | -8.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A411 | A411-A413 PolarHBondContact O-N 3.48Å |
| 414 | K | 42.1 | Very low | 39.8 | Very low | 161 Ų | 161 | 112.7 Ų | 112.7 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -93.7 | -29.5 | 167.4 | -75.9 | -175.2 | 177.1 | 177.7 | 0 | 112.6 | A411 S412 N418 | A411-K414 PolarHBondContact O-N 2.91Å; S412-K414 PolarHBondContact O-N 3.48Å; K414-N418 PolarHBondContact O-N 2.95Å |
| 415 | Q | 39.8 | Very low | 41.5 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.7 | -50.3 | -177.7 | -172.9 | 166.9 | -15.8 | 0 | 0 | 111 | S412 K417 N418 E419 | S412-Q415 WeakPolarHBondContact O-CA 3.23Å; S412-Q415 PolarHBondContact O-N 3.33Å; Q415-K417 PolarHBondContact O-N 3.25Å; Q415-K417 VanDerWaalsContact O-N 3.12Å; Q415-N418 PolarHBondContact O-N 2.87Å; Q415-E419 VanDerWaalsContact CG-OE1 3.3Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.3Å; Q415-E419 PolarHBondContact NE2-OE1 3.47Å; Q415-E419 PolarHBondContact O-N 3.37Å |
| 416 | E | 39.7 | Very low | 43.3 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 54% | 0.542 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -53 | -37 | 171.6 | -64.2 | 171.8 | 139.8 | 0 | 0 | 111.6 | S412 E419 L420 | S412-E416 PolarHBondContact O-N 3.14Å; E416-E419 PolarHBondContact O-N 3.14Å; E416-L420 WeakPolarHBondContact O-CB 3.33Å; E416-L420 WeakPolarHBondContact O-CG 3.37Å; E416-L420 PolarHBondContact O-N 2.93Å |
| 417 | K | 42.3 | Very low | 45.5 | Very low | 157 Ų | 157 | 110.9 Ų | 110.9 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.9 | -20.3 | -178.4 | -162.8 | 169.8 | -174.5 | 175.6 | 0 | 113.8 | Q415 R421 | Q415-K417 PolarHBondContact O-N 3.25Å; Q415-K417 VanDerWaalsContact O-N 3.12Å; K417-R421 WeakPolarHBondContact O-CB 3.27Å |
| 418 | N | 46.4 | Very low | 47.2 | Very low | 102 Ų | 102 | 110.8 Ų | 110.8 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -84.4 | -43.5 | 167.4 | -81.1 | 6.1 | 0 | 0 | 0 | 110.7 | K414 Q415 L420 R421 D422 | K414-N418 PolarHBondContact O-N 2.95Å; Q415-N418 PolarHBondContact O-N 2.87Å; N418-L420 VanDerWaalsContact C-N 3.32Å; N418-L420 PolarHBondContact O-N 3.08Å; N418-R421 CarbonylContact O-C 3.55Å; N418-R421 WeakPolarHBondContact O-CA 3.48Å; N418-R421 VanDerWaalsContact O-CB 3.27Å; N418-R421 WeakPolarHBondContact O-CB 3.22Å; N418-R421 PolarHBondContact O-N 3.36Å; N418-D422 PolarHBondContact O-N 2.77Å |
| 419 | E | 46.3 | Very low | 49 | Very low | 102 Ų | 102 | 105.3 Ų | 105.3 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 179 | -69.8 | 165.3 | -174.4 | 0 | 0 | 111.7 | Q415 E416 R421 S423 | Q415-E419 VanDerWaalsContact CG-OE1 3.3Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.3Å; Q415-E419 PolarHBondContact NE2-OE1 3.47Å; Q415-E419 PolarHBondContact O-N 3.37Å; E416-E419 PolarHBondContact O-N 3.14Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 3Å; E419-S423 VanDerWaalsContact O-CB 3.3Å; E419-S423 WeakPolarHBondContact O-CB 3.39Å; E419-S423 PolarHBondContact O-N 2.91Å; E419-S423 PolarHBondContact O-OG 2.83Å |
| 420 | L | 45.7 | Very low | 51.3 | Low | 100 Ų | 100 | 99.3 Ų | 99.3 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -33 | 169.5 | -81.9 | 163.3 | 0 | 0 | 0 | 113.3 | E416 N418 T424 | E416-L420 WeakPolarHBondContact O-CB 3.33Å; E416-L420 WeakPolarHBondContact O-CG 3.37Å; E416-L420 PolarHBondContact O-N 2.93Å; N418-L420 VanDerWaalsContact C-N 3.32Å; N418-L420 PolarHBondContact O-N 3.08Å; L420-T424 WeakPolarHBondContact O-CB 3.09Å; L420-T424 PolarHBondContact O-N 3.1Å; L420-T424 VanDerWaalsContact O-N 3.1Å; L420-T424 PolarHBondContact O-OG1 3.29Å |
| 421 | R | 47.8 | Very low | 53.2 | Low | 133 Ų | 133 | 97 Ų | 97 | 50% | 0.502 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.7 | -45.8 | -179.2 | -168.3 | -176.2 | 178.9 | -64.1 | -21.4 | 110.7 | K417 N418 E419 T424 E425 | K417-R421 WeakPolarHBondContact O-CB 3.27Å; N418-R421 CarbonylContact O-C 3.55Å; N418-R421 WeakPolarHBondContact O-CA 3.48Å; N418-R421 VanDerWaalsContact O-CB 3.27Å; N418-R421 WeakPolarHBondContact O-CB 3.22Å; N418-R421 PolarHBondContact O-N 3.36Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 3Å; R421-T424 WeakPolarHBondContact O-CB 3.44Å; R421-T424 PolarHBondContact O-N 3.28Å; R421-T424 VanDerWaalsContact O-N 3.13Å; R421-E425 IonicContact CZ-OE1 3.16Å; R421-E425 VanDerWaalsContact NH1-CD 3.27Å; R421-E425 IonicContact NH1-OE1 3.37Å; R421-E425 PolarHBondContact NH1-OE1 3.06Å; R421-E425 IonicContact NH1-OE2 3.73Å; R421-E425 PolarHBondContact NH1-OE2 3.28Å; R421-E425 IonicContact NH2-OE1 2.72Å; R421-E425 PolarHBondContact NH2-OE1 3.28Å; R421-E425 PolarHBondContact O-N 2.96Å |
| 422 | D | 49 | Very low | 55.4 | Low | 87 Ų | 87 | 99.1 Ų | 99.1 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 178.1 | -61.9 | -12.1 | 0 | 0 | 0 | 110.7 | N418 T424 E425 Q426 | N418-D422 PolarHBondContact O-N 2.77Å; D422-T424 VanDerWaalsContact C-N 3.28Å; D422-T424 PolarHBondContact O-N 2.89Å; D422-E425 PolarHBondContact O-N 3.23Å; D422-Q426 WeakPolarHBondContact O-CG 3.49Å; D422-Q426 PolarHBondContact O-N 2.96Å |
| 423 | S | 55.7 | Low | 57.2 | Low | 58 Ų | 58 | 99.5 Ų | 99.5 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.3 | -37.1 | 170.8 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | E419 F427 | E419-S423 VanDerWaalsContact O-CB 3.3Å; E419-S423 WeakPolarHBondContact O-CB 3.39Å; E419-S423 PolarHBondContact O-N 2.91Å; E419-S423 PolarHBondContact O-OG 2.83Å; S423-F427 WeakPolarHBondContact O-CB 3.17Å; S423-F427 PolarHBondContact O-N 2.8Å; S423-F427 VanDerWaalsContact O-N 3.07Å |
| 424 | T | 63.8 | Low | 59.4 | Low | 71 Ų | 71 | 99.4 Ų | 99.4 | 44% | 0.436 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.5 | -37.7 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | L420 R421 D422 F427 Q428 | L420-T424 WeakPolarHBondContact O-CB 3.09Å; L420-T424 PolarHBondContact O-N 3.1Å; L420-T424 VanDerWaalsContact O-N 3.1Å; L420-T424 PolarHBondContact O-OG1 3.29Å; R421-T424 WeakPolarHBondContact O-CB 3.44Å; R421-T424 PolarHBondContact O-N 3.28Å; R421-T424 VanDerWaalsContact O-N 3.13Å; D422-T424 VanDerWaalsContact C-N 3.28Å; D422-T424 PolarHBondContact O-N 2.89Å; T424-F427 PolarHBondContact O-N 3.22Å; T424-Q428 WeakPolarHBondContact O-CG 3.35Å; T424-Q428 PolarHBondContact O-N 3.31Å |
| 425 | E | 65.9 | Low | 61.2 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 39% | 0.393 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.6 | -36 | 176.8 | -71.5 | -173.8 | 174.8 | 0 | 0 | 112.1 | R421 D422 Q428 E429 | R421-E425 IonicContact CZ-OE1 3.16Å; R421-E425 VanDerWaalsContact NH1-CD 3.27Å; R421-E425 IonicContact NH1-OE1 3.37Å; R421-E425 PolarHBondContact NH1-OE1 3.06Å; R421-E425 IonicContact NH1-OE2 3.73Å; R421-E425 PolarHBondContact NH1-OE2 3.28Å; R421-E425 IonicContact NH2-OE1 2.72Å; R421-E425 PolarHBondContact NH2-OE1 3.28Å; R421-E425 PolarHBondContact O-N 2.96Å; D422-E425 PolarHBondContact O-N 3.23Å; E425-Q428 PolarHBondContact O-N 3.06Å; E425-E429 PolarHBondContact O-N 3.38Å |
| 426 | Q | 65.6 | Low | 63 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 66% | 0.659 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.5 | -45.5 | 169.6 | -72.7 | 179.7 | 6.4 | 0 | 0 | 112.1 | D422 Q428 E429 Y430 | D422-Q426 WeakPolarHBondContact O-CG 3.49Å; D422-Q426 PolarHBondContact O-N 2.96Å; Q426-Q428 VanDerWaalsContact C-N 3.34Å; Q426-Q428 PolarHBondContact O-N 2.99Å; Q426-E429 PolarHBondContact O-N 3.42Å; Q426-Y430 PolarHBondContact O-N 3.17Å |
| 427 | F | 70.4 | Confident | 64.8 | Low | 83 Ų | 83 | 95 Ų | 95 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 175.2 | -168.1 | -88.9 | 0 | 0 | 0 | 111 | S423 T424 E429 Y430 Y431 V498 | S423-F427 WeakPolarHBondContact O-CB 3.17Å; S423-F427 PolarHBondContact O-N 2.8Å; S423-F427 VanDerWaalsContact O-N 3.07Å; T424-F427 PolarHBondContact O-N 3.22Å; F427-E429 PolarHBondContact O-N 3.33Å; F427-Y430 PolarHBondContact O-N 2.83Å; F427-Y431 AromaticContact CD1-CD2 3.94Å; F427-Y431 HydrophobicContact CD1-CD2 3.94Å; F427-Y431 AromaticContact CD1-CE2 3.91Å; F427-Y431 HydrophobicContact CD1-CE2 3.91Å; F427-Y431 HydrophobicContact CD2-CE2 4.43Å; F427-Y431 AromaticContact CE1-CD2 3.77Å; F427-Y431 HydrophobicContact CE1-CD2 3.77Å; F427-Y431 AromaticContact CE1-CE2 3.34Å; F427-Y431 HydrophobicContact CE1-CE2 3.34Å; F427-Y431 AromaticContact CE2-CE2 3.92Å; F427-Y431 HydrophobicContact CE2-CE2 3.92Å; F427-Y431 HydrophobicContact CG-CE2 4.43Å; F427-Y431 HydrophobicContact CZ-CD2 4.21Å; F427-Y431 AromaticContact CZ-CE2 3.35Å; F427-Y431 HydrophobicContact CZ-CE2 3.35Å; F427-Y431 AromaticContact CZ-CZ 3.95Å; F427-Y431 WeakPolarHBondContact O-CD2 3.32Å; F427-Y431 PolarHBondContact O-N 3.26Å; F427-V498 HydrophobicContact CD2-CG1 3.45Å; F427-V498 VanDerWaalsContact CD2-CG1 3.45Å; F427-V498 HydrophobicContact CE2-CG1 3.76Å |
| 428 | Q | 70.4 | Confident | 66.6 | Low | 97 Ų | 97 | 92.3 Ų | 92.3 | 45% | 0.453 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 177.4 | -71.9 | 177 | 20 | 0 | 0 | 113.2 | T424 E425 Q426 R432 | T424-Q428 WeakPolarHBondContact O-CG 3.35Å; T424-Q428 PolarHBondContact O-N 3.31Å; E425-Q428 PolarHBondContact O-N 3.06Å; Q426-Q428 VanDerWaalsContact C-N 3.34Å; Q426-Q428 PolarHBondContact O-N 2.99Å; Q428-R432 WeakPolarHBondContact O-CG 3.24Å; Q428-R432 PolarHBondContact O-N 3.03Å |
| 429 | E | 71.6 | Confident | 68.3 | Low | 67 Ų | 67 | 92.8 Ų | 92.8 | 31% | 0.313 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 177.1 | -161.7 | 59.3 | -151.9 | 0 | 0 | 112.4 | E425 Q426 F427 Y431 R432 Q433 R436 | E425-E429 PolarHBondContact O-N 3.38Å; Q426-E429 PolarHBondContact O-N 3.42Å; F427-E429 PolarHBondContact O-N 3.33Å; E429-Y431 PolarHBondContact O-N 3.22Å; E429-R432 PolarHBondContact O-N 3.18Å; E429-R432 VanDerWaalsContact O-N 3.15Å; E429-R432 IonicContact OE2-CZ 3.93Å; E429-R432 IonicContact OE2-NE 2.66Å; E429-R432 PolarHBondContact OE2-NE 2.76Å; E429-R432 IonicContact OE2-NH2 3.67Å; E429-R432 PolarHBondContact OE2-NH2 3.47Å; E429-Q433 WeakPolarHBondContact O-CB 3.47Å; E429-Q433 PolarHBondContact O-N 2.97Å; E429-R436 IonicContact OE1-NH1 3.59Å; E429-R436 PolarHBondContact OE1-NH1 3.38Å |
| 430 | Y | 78.9 | Confident | 70.1 | Confident | 19 Ų | 19 | 91.6 Ų | 91.6 | 8% | 0.075 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 173.4 | 163 | -107.2 | 0 | 0 | 0 | 111.9 | Q426 F427 R432 Q433 R434 M491 L494 G495 V498 | Q426-Y430 PolarHBondContact O-N 3.17Å; F427-Y430 PolarHBondContact O-N 2.83Å; Y430-R432 PolarHBondContact O-N 2.99Å; Y430-Q433 PolarHBondContact O-N 2.93Å; Y430-R434 WeakPolarHBondContact O-CB 3.42Å; Y430-R434 PolarHBondContact O-N 2.88Å; Y430-R434 PolarHBondContact OH-NH1 3.18Å; Y430-M491 HydrophobicContact CD2-SD 4.23Å; Y430-M491 HydrophobicContact CE2-CB 4.12Å; Y430-M491 WeakPolarHBondContact CE2-O 3.14Å; Y430-M491 HydrophobicContact CE2-SD 4.1Å; Y430-M491 PolarHBondContact OH-O 3.38Å; Y430-L494 HydrophobicContact CD2-CD2 4.38Å; Y430-G495 WeakPolarHBondContact OH-CA 3.49Å; Y430-V498 HydrophobicContact CD1-CG1 4.41Å |
| 431 | Y | 74.1 | Confident | 72 | Confident | 128 Ų | 128 | 88.3 Ų | 88.3 | 50% | 0.502 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 175.9 | -83 | -97.8 | 0 | 0 | 0 | 112.8 | F427 E429 L435 | F427-Y431 AromaticContact CD1-CD2 3.94Å; F427-Y431 HydrophobicContact CD1-CD2 3.94Å; F427-Y431 AromaticContact CD1-CE2 3.91Å; F427-Y431 HydrophobicContact CD1-CE2 3.91Å; F427-Y431 HydrophobicContact CD2-CE2 4.43Å; F427-Y431 AromaticContact CE1-CD2 3.77Å; F427-Y431 HydrophobicContact CE1-CD2 3.77Å; F427-Y431 AromaticContact CE1-CE2 3.34Å; F427-Y431 HydrophobicContact CE1-CE2 3.34Å; F427-Y431 AromaticContact CE2-CE2 3.92Å; F427-Y431 HydrophobicContact CE2-CE2 3.92Å; F427-Y431 HydrophobicContact CG-CE2 4.43Å; F427-Y431 HydrophobicContact CZ-CD2 4.21Å; F427-Y431 AromaticContact CZ-CE2 3.35Å; F427-Y431 HydrophobicContact CZ-CE2 3.35Å; F427-Y431 AromaticContact CZ-CZ 3.95Å; F427-Y431 WeakPolarHBondContact O-CD2 3.32Å; F427-Y431 PolarHBondContact O-N 3.26Å; E429-Y431 PolarHBondContact O-N 3.22Å; Y431-L435 WeakPolarHBondContact O-CB 3.27Å; Y431-L435 PolarHBondContact O-N 2.81Å |
| 432 | R | 79.1 | Confident | 73.8 | Confident | 125 Ų | 125 | 87 Ų | 87 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 172.5 | -76.6 | -166.8 | -72.2 | -129.3 | -3.1 | 112.3 | Q428 E429 Y430 R436 | Q428-R432 WeakPolarHBondContact O-CG 3.24Å; Q428-R432 PolarHBondContact O-N 3.03Å; E429-R432 PolarHBondContact O-N 3.18Å; E429-R432 VanDerWaalsContact O-N 3.15Å; E429-R432 IonicContact OE2-CZ 3.93Å; E429-R432 IonicContact OE2-NE 2.66Å; E429-R432 PolarHBondContact OE2-NE 2.76Å; E429-R432 IonicContact OE2-NH2 3.67Å; E429-R432 PolarHBondContact OE2-NH2 3.47Å; Y430-R432 PolarHBondContact O-N 2.99Å; R432-R436 WeakPolarHBondContact O-CG 3.45Å; R432-R436 PolarHBondContact O-N 2.95Å |
| 433 | Q | 72.6 | Confident | 75.6 | Confident | 74 Ų | 74 | 88.6 Ų | 88.6 | 35% | 0.346 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69 | -44.7 | 179.2 | -173.1 | 171.4 | 3.3 | 0 | 0 | 111.5 | E429 Y430 L435 R436 Y437 | E429-Q433 WeakPolarHBondContact O-CB 3.47Å; E429-Q433 PolarHBondContact O-N 2.97Å; Y430-Q433 PolarHBondContact O-N 2.93Å; Q433-L435 PolarHBondContact O-N 2.85Å; Q433-R436 PolarHBondContact O-N 2.78Å; Q433-Y437 HydrophobicContact CG-CD2 4.15Å; Q433-Y437 HydrophobicContact CG-CE2 3.64Å; Q433-Y437 PolarHBondContact NE2-OH 3.42Å; Q433-Y437 WeakPolarHBondContact O-CD2 3.29Å; Q433-Y437 PolarHBondContact O-N 3.42Å; Q433-Y437 VanDerWaalsContact O-N 3.13Å |
| 434 | R | 81 | Confident | 76.8 | Confident | 60 Ų | 60 | 88.2 Ų | 88.2 | 23% | 0.226 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.7 | -46.3 | 173 | -174 | -179.2 | -179.4 | 121.7 | 4.8 | 112.2 | Y430 R436 Y437 Q438 D492 | Y430-R434 WeakPolarHBondContact O-CB 3.42Å; Y430-R434 PolarHBondContact O-N 2.88Å; Y430-R434 PolarHBondContact OH-NH1 3.18Å; R434-R436 VanDerWaalsContact C-N 3.33Å; R434-R436 PolarHBondContact O-N 3.11Å; R434-Y437 PolarHBondContact O-N 3.4Å; R434-Q438 PolarHBondContact O-N 3.19Å; R434-D492 IonicContact CZ-OD1 3.6Å; R434-D492 IonicContact NH1-OD1 3.15Å; R434-D492 PolarHBondContact NH1-OD1 3.26Å; R434-D492 IonicContact NH2-OD1 3.35Å; R434-D492 PolarHBondContact NH2-OD1 3.47Å; R434-D492 IonicContact NH2-OD2 2.69Å; R434-D492 PolarHBondContact NH2-OD2 3.35Å |
| 435 | L | 78.3 | Confident | 77.8 | Confident | 95 Ų | 95 | 88.4 Ų | 88.4 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 179.1 | -173.3 | 65.8 | 0 | 0 | 0 | 112.4 | Y431 Q433 Q438 Q439 | Y431-L435 WeakPolarHBondContact O-CB 3.27Å; Y431-L435 PolarHBondContact O-N 2.81Å; Q433-L435 PolarHBondContact O-N 2.85Å; L435-Q438 PolarHBondContact O-N 3.1Å; L435-Q439 WeakPolarHBondContact O-CB 3.47Å; L435-Q439 WeakPolarHBondContact O-CG 3.37Å; L435-Q439 PolarHBondContact O-N 2.93Å |
| 436 | R | 78.9 | Confident | 78.8 | Confident | 145 Ų | 145 | 89.2 Ų | 89.2 | 55% | 0.547 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 174.6 | -71.1 | 170.6 | -179.2 | 142.3 | 0.6 | 112.1 | E429 R432 Q433 R434 H440 | E429-R436 IonicContact OE1-NH1 3.59Å; E429-R436 PolarHBondContact OE1-NH1 3.38Å; R432-R436 WeakPolarHBondContact O-CG 3.45Å; R432-R436 PolarHBondContact O-N 2.95Å; Q433-R436 PolarHBondContact O-N 2.78Å; R434-R436 VanDerWaalsContact C-N 3.33Å; R434-R436 PolarHBondContact O-N 3.11Å; R436-H440 WeakPolarHBondContact O-CB 3.3Å; R436-H440 PolarHBondContact O-N 3.25Å |
| 437 | Y | 77.6 | Confident | 79.4 | Confident | 66 Ų | 66 | 87 Ų | 87 | 26% | 0.259 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.8 | -72.8 | -54.3 | 0 | 0 | 0 | 111.9 | Q433 R434 H440 L441 L484 L487 M491 | Q433-Y437 HydrophobicContact CG-CD2 4.15Å; Q433-Y437 HydrophobicContact CG-CE2 3.64Å; Q433-Y437 PolarHBondContact NE2-OH 3.42Å; Q433-Y437 WeakPolarHBondContact O-CD2 3.29Å; Q433-Y437 PolarHBondContact O-N 3.42Å; Q433-Y437 VanDerWaalsContact O-N 3.13Å; R434-Y437 PolarHBondContact O-N 3.4Å; Y437-H440 PolarHBondContact O-N 3.47Å; Y437-L441 WeakPolarHBondContact O-CB 3.46Å; Y437-L441 PolarHBondContact O-N 2.88Å; Y437-L484 HydrophobicContact CD1-CD2 4.46Å; Y437-L487 HydrophobicContact CE1-CD1 4.48Å; Y437-M491 HydrophobicContact CD2-CG 4.01Å; Y437-M491 HydrophobicContact CD2-SD 4.44Å; Y437-M491 HydrophobicContact CE2-CG 4.2Å; Y437-M491 HydrophobicContact CE2-SD 4.18Å |
| 438 | Q | 80.5 | Confident | 80 | Confident | 102 Ų | 102 | 85.3 Ų | 85.3 | 48% | 0.477 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 178.4 | -169.7 | 170.7 | 3.1 | 0 | 0 | 112.1 | R434 L435 H440 L441 E442 | R434-Q438 PolarHBondContact O-N 3.19Å; L435-Q438 PolarHBondContact O-N 3.1Å; Q438-H440 PolarHBondContact O-N 3.27Å; Q438-L441 PolarHBondContact O-N 3.47Å; Q438-E442 WeakPolarHBondContact O-CB 3.14Å; Q438-E442 PolarHBondContact O-N 2.92Å |
| 439 | Q | 81.8 | Confident | 80.6 | Confident | 111 Ų | 111 | 86.3 Ų | 86.3 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 175.1 | -74 | 175.3 | -18.6 | 0 | 0 | 112.7 | L435 Q443 | L435-Q439 WeakPolarHBondContact O-CB 3.47Å; L435-Q439 WeakPolarHBondContact O-CG 3.37Å; L435-Q439 PolarHBondContact O-N 2.93Å; Q439-Q443 WeakPolarHBondContact O-CB 3.43Å; Q439-Q443 PolarHBondContact O-N 2.64Å |
| 440 | H | 84.3 | Confident | 81 | Confident | 78 Ų | 78 | 88.3 Ų | 88.3 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.1 | -33.1 | 178.5 | -174.4 | -133.8 | 0 | 0 | 0 | 112.6 | R436 Y437 Q438 K444 L484 | R436-H440 WeakPolarHBondContact O-CB 3.3Å; R436-H440 PolarHBondContact O-N 3.25Å; Y437-H440 PolarHBondContact O-N 3.47Å; Q438-H440 PolarHBondContact O-N 3.27Å; H440-K444 VanDerWaalsContact O-CG 3.3Å; H440-K444 WeakPolarHBondContact O-CG 3.4Å; H440-K444 PolarHBondContact O-N 3.26Å; H440-K444 VanDerWaalsContact O-N 3.14Å; H440-L484 WeakPolarHBondContact ND1-CD2 3.5Å |
| 441 | L | 84.2 | Confident | 80.9 | Confident | 30 Ų | 30 | 89.5 Ų | 89.5 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62 | -51.8 | 170.4 | -179.8 | 65.7 | 0 | 0 | 0 | 110.5 | Y437 Q438 Q443 K444 E445 I481 L484 | Y437-L441 WeakPolarHBondContact O-CB 3.46Å; Y437-L441 PolarHBondContact O-N 2.88Å; Q438-L441 PolarHBondContact O-N 3.47Å; L441-Q443 PolarHBondContact O-N 2.45Å; L441-K444 PolarHBondContact O-N 2.63Å; L441-E445 WeakPolarHBondContact O-CG 3.48Å; L441-E445 PolarHBondContact O-N 3.2Å; L441-I481 HydrophobicContact CD1-CB 4.42Å; L441-I481 HydrophobicContact CD1-CG2 3.82Å; L441-I481 WeakPolarHBondContact CD1-O 3.48Å; L441-L484 HydrophobicContact CB-CB 4.35Å; L441-L484 HydrophobicContact CD1-CB 3.75Å |
| 442 | E | 86.5 | Confident | 80.9 | Confident | 107 Ų | 107 | 87.7 Ų | 87.7 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 178.1 | -171.9 | -175.6 | 171.2 | 0 | 0 | 111.8 | Q438 K444 E445 Q446 | Q438-E442 WeakPolarHBondContact O-CB 3.14Å; Q438-E442 PolarHBondContact O-N 2.92Å; E442-K444 VanDerWaalsContact C-N 3.25Å; E442-K444 PolarHBondContact O-N 2.93Å; E442-E445 PolarHBondContact O-N 2.84Å; E442-E445 VanDerWaalsContact O-N 3.16Å; E442-Q446 WeakPolarHBondContact O-CG 3.34Å; E442-Q446 PolarHBondContact O-N 2.9Å; E442-Q446 PolarHBondContact OE1-NE2 2.94Å |
| 443 | Q | 85.6 | Confident | 80.8 | Confident | 119 Ų | 119 | 86.5 Ų | 86.5 | 56% | 0.556 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.3 | -36.6 | 175.4 | -170.4 | -176.6 | 31.6 | 0 | 0 | 112.4 | Q439 L441 Q447 | Q439-Q443 WeakPolarHBondContact O-CB 3.43Å; Q439-Q443 PolarHBondContact O-N 2.64Å; L441-Q443 PolarHBondContact O-N 2.45Å; Q443-Q447 WeakPolarHBondContact O-CB 3.33Å; Q443-Q447 PolarHBondContact O-N 3.47Å |
| 444 | K | 82.6 | Confident | 80.8 | Confident | 51 Ų | 51 | 88.3 Ų | 88.3 | 22% | 0.222 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -75 | -34.6 | 177.1 | -70.9 | -73.1 | 161.1 | -164.9 | 0 | 112.6 | H440 L441 E442 Q447 R448 I481 L484 | H440-K444 VanDerWaalsContact O-CG 3.3Å; H440-K444 WeakPolarHBondContact O-CG 3.4Å; H440-K444 PolarHBondContact O-N 3.26Å; H440-K444 VanDerWaalsContact O-N 3.14Å; L441-K444 PolarHBondContact O-N 2.63Å; E442-K444 VanDerWaalsContact C-N 3.25Å; E442-K444 PolarHBondContact O-N 2.93Å; K444-Q447 PolarHBondContact O-N 2.91Å; K444-R448 PolarHBondContact O-N 2.84Å; K444-I481 HydrophobicContact CB-CD1 4.45Å; K444-I481 HydrophobicContact CB-CG1 3.74Å; K444-L484 HydrophobicContact CB-CD1 4.47Å; K444-L484 HydrophobicContact CG-CD1 3.93Å |
| 445 | E | 83.6 | Confident | 80.3 | Confident | 74 Ų | 74 | 88 Ų | 88 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 173 | -62.5 | -147.1 | 105.5 | 0 | 0 | 112.1 | L441 E442 Q447 R448 Q449 I481 | L441-E445 WeakPolarHBondContact O-CG 3.48Å; L441-E445 PolarHBondContact O-N 3.2Å; E442-E445 PolarHBondContact O-N 2.84Å; E442-E445 VanDerWaalsContact O-N 3.16Å; E445-Q447 VanDerWaalsContact C-N 3.34Å; E445-Q447 PolarHBondContact O-N 2.98Å; E445-R448 WeakPolarHBondContact O-CB 3.37Å; E445-R448 PolarHBondContact O-N 3.23Å; E445-R448 IonicContact OE1-CZ 2.79Å; E445-R448 IonicContact OE1-NH1 3.23Å; E445-R448 IonicContact OE1-NH2 3.35Å; E445-R448 PolarHBondContact OE1-NH2 2.84Å; E445-Q449 WeakPolarHBondContact O-CG 3.4Å; E445-Q449 PolarHBondContact O-N 2.89Å; E445-I481 HydrophobicContact CG-CD1 4.21Å; E445-I481 HydrophobicContact CG-CG1 4.33Å; E445-I481 HydrophobicContact CG-CG2 4.04Å |
| 446 | Q | 86.4 | Confident | 79.7 | Confident | 102 Ų | 102 | 89.8 Ų | 89.8 | 48% | 0.477 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 171.1 | -68.9 | 174.4 | 9.7 | 0 | 0 | 111.3 | E442 R448 Q449 L450 | E442-Q446 WeakPolarHBondContact O-CG 3.34Å; E442-Q446 PolarHBondContact O-N 2.9Å; E442-Q446 PolarHBondContact OE1-NE2 2.94Å; Q446-R448 VanDerWaalsContact C-N 3.29Å; Q446-R448 PolarHBondContact O-N 3.03Å; Q446-Q449 PolarHBondContact O-N 3.43Å; Q446-L450 PolarHBondContact O-N 3.41Å |
| 447 | Q | 78.1 | Confident | 79.3 | Confident | 93 Ų | 93 | 89.4 Ų | 89.4 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -34.5 | 175.7 | -162.8 | -179.8 | 10 | 0 | 0 | 112.3 | Q443 K444 E445 Y451 L477 | Q443-Q447 WeakPolarHBondContact O-CB 3.33Å; Q443-Q447 PolarHBondContact O-N 3.47Å; K444-Q447 PolarHBondContact O-N 2.91Å; E445-Q447 VanDerWaalsContact C-N 3.34Å; E445-Q447 PolarHBondContact O-N 2.98Å; Q447-Y451 WeakPolarHBondContact O-CB 3.38Å; Q447-Y451 PolarHBondContact O-N 3.43Å; Q447-L477 HydrophobicContact CB-CD2 3.9Å; Q447-L477 HydrophobicContact CG-CD2 3.92Å |
| 448 | R | 84.2 | Confident | 78.4 | Confident | 49 Ų | 49 | 89 Ų | 89 | 19% | 0.185 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.7 | -45.8 | 173.1 | -178.9 | -174.1 | 63.2 | -152.6 | -12.1 | 111.8 | K444 E445 Q446 L450 Y451 Q452 L477 N478 I481 | K444-R448 PolarHBondContact O-N 2.84Å; E445-R448 WeakPolarHBondContact O-CB 3.37Å; E445-R448 PolarHBondContact O-N 3.23Å; E445-R448 IonicContact OE1-CZ 2.79Å; E445-R448 IonicContact OE1-NH1 3.23Å; E445-R448 IonicContact OE1-NH2 3.35Å; E445-R448 PolarHBondContact OE1-NH2 2.84Å; Q446-R448 VanDerWaalsContact C-N 3.29Å; Q446-R448 PolarHBondContact O-N 3.03Å; R448-L450 VanDerWaalsContact C-N 3.34Å; R448-L450 PolarHBondContact O-N 3.27Å; R448-Y451 PolarHBondContact O-N 2.93Å; R448-Q452 WeakPolarHBondContact O-CB 3.39Å; R448-Q452 PolarHBondContact O-N 2.98Å; R448-L477 HydrophobicContact CB-CB 4.47Å; R448-L477 HydrophobicContact CB-CD2 3.89Å; R448-N478 WeakPolarHBondContact CD-OD1 3.47Å; R448-N478 PolarHBondContact NH1-OD1 2.85Å; R448-I481 HydrophobicContact CB-CD1 4.01Å |
| 449 | Q | 81.8 | Confident | 77 | Confident | 118 Ų | 118 | 87 Ų | 87 | 55% | 0.551 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.1 | -46 | 178 | -73.4 | 170.5 | -7.8 | 0 | 0 | 111.4 | E445 Q446 Y451 Q452 Q453 | E445-Q449 WeakPolarHBondContact O-CG 3.4Å; E445-Q449 PolarHBondContact O-N 2.89Å; Q446-Q449 PolarHBondContact O-N 3.43Å; Q449-Y451 PolarHBondContact O-N 3.09Å; Q449-Q452 PolarHBondContact O-N 3.34Å; Q449-Q453 WeakPolarHBondContact O-CB 3.46Å; Q449-Q453 PolarHBondContact O-N 3.46Å |
| 450 | L | 80.8 | Confident | 75.4 | Confident | 108 Ų | 108 | 86.9 Ų | 86.9 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.5 | -39.7 | 176.9 | -175.5 | 63.7 | 0 | 0 | 0 | 112.5 | Q446 R448 Q453 M454 | Q446-L450 PolarHBondContact O-N 3.41Å; R448-L450 VanDerWaalsContact C-N 3.34Å; R448-L450 PolarHBondContact O-N 3.27Å; L450-Q453 PolarHBondContact O-N 3.14Å; L450-M454 PolarHBondContact O-N 3.01Å |
| 451 | Y | 77.6 | Confident | 73.6 | Confident | 45 Ų | 45 | 90.3 Ų | 90.3 | 18% | 0.176 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 174.8 | -177.4 | -109.5 | 0 | 0 | 0 | 112.2 | Q447 R448 Q449 M454 L455 N471 T473 E474 | Q447-Y451 WeakPolarHBondContact O-CB 3.38Å; Q447-Y451 PolarHBondContact O-N 3.43Å; R448-Y451 PolarHBondContact O-N 2.93Å; Q449-Y451 PolarHBondContact O-N 3.09Å; Y451-M454 HydrophobicContact CD2-CE 4.1Å; Y451-M454 PolarHBondContact O-N 2.65Å; Y451-L455 HydrophobicContact CD1-CD1 4.03Å; Y451-L455 HydrophobicContact CE1-CD1 3.62Å; Y451-L455 HydrophobicContact CE1-CG 4.28Å; Y451-L455 WeakPolarHBondContact O-CG 3.31Å; Y451-L455 PolarHBondContact O-N 2.74Å; Y451-L455 VanDerWaalsContact O-N 3.08Å; Y451-N471 PolarHBondContact OH-ND2 2.89Å; Y451-N471 PolarHBondContact OH-OD1 3.24Å; Y451-T473 HydrophobicContact CD1-CG2 4.33Å; Y451-T473 HydrophobicContact CD2-CG2 4.17Å; Y451-T473 HydrophobicContact CE1-CG2 3.96Å; Y451-T473 HydrophobicContact CE2-CG2 3.82Å; Y451-T473 HydrophobicContact CG-CG2 4.42Å; Y451-T473 WeakPolarHBondContact OH-CB 3.43Å; Y451-E474 HydrophobicContact CD1-CB 4.43Å; Y451-E474 HydrophobicContact CE1-CB 4.12Å |
| 452 | Q | 73.6 | Confident | 72 | Confident | 89 Ų | 89 | 97.1 Ų | 97.1 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.3 | -33.1 | 178.3 | -157.4 | 168.4 | 60.2 | 0 | 0 | 111.9 | R448 Q449 L455 L456 E474 | R448-Q452 WeakPolarHBondContact O-CB 3.39Å; R448-Q452 PolarHBondContact O-N 2.98Å; Q449-Q452 PolarHBondContact O-N 3.34Å; Q452-L455 PolarHBondContact O-N 3.28Å; Q452-L456 WeakPolarHBondContact O-CG 3.38Å; Q452-L456 PolarHBondContact O-N 3.15Å; Q452-E474 PolarHBondContact NE2-OE1 3.01Å |
| 453 | Q | 77.9 | Confident | 69.8 | Low | 101 Ų | 101 | 100.9 Ų | 100.9 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 170 | -176.6 | 172.8 | -10.4 | 0 | 0 | 112.1 | Q449 L450 L455 L456 E457 | Q449-Q453 WeakPolarHBondContact O-CB 3.46Å; Q449-Q453 PolarHBondContact O-N 3.46Å; L450-Q453 PolarHBondContact O-N 3.14Å; Q453-L455 VanDerWaalsContact C-N 3.25Å; Q453-L455 PolarHBondContact O-N 3.29Å; Q453-L456 WeakPolarHBondContact O-CB 3.35Å; Q453-L456 PolarHBondContact O-N 3.41Å; Q453-L456 VanDerWaalsContact O-N 3.1Å; Q453-E457 HydrophobicContact CG-CG 4.43Å; Q453-E457 VanDerWaalsContact CG-OE1 3.32Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.49Å; Q453-E457 PolarHBondContact NE2-OE1 2.87Å; Q453-E457 PolarHBondContact O-N 2.79Å |
| 454 | M | 72.4 | Confident | 67.9 | Low | 112 Ų | 112 | 103.9 Ų | 103.9 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.8 | -32.8 | 174 | -72.8 | -160.7 | -53.5 | 0 | 0 | 113 | L450 Y451 L456 G458 | L450-M454 PolarHBondContact O-N 3.01Å; Y451-M454 HydrophobicContact CD2-CE 4.1Å; Y451-M454 PolarHBondContact O-N 2.65Å; M454-L456 VanDerWaalsContact C-N 3.35Å; M454-G458 PolarHBondContact O-N 2.93Å |
| 455 | L | 70.3 | Confident | 66 | Low | 53 Ų | 53 | 103.9 Ų | 103.9 | 28% | 0.277 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -34.9 | 174.8 | -73.1 | 171.2 | 0 | 0 | 0 | 112.5 | Y451 Q452 Q453 N471 | Y451-L455 HydrophobicContact CD1-CD1 4.03Å; Y451-L455 HydrophobicContact CE1-CD1 3.62Å; Y451-L455 HydrophobicContact CE1-CG 4.28Å; Y451-L455 WeakPolarHBondContact O-CG 3.31Å; Y451-L455 PolarHBondContact O-N 2.74Å; Y451-L455 VanDerWaalsContact O-N 3.08Å; Q452-L455 PolarHBondContact O-N 3.28Å; Q453-L455 VanDerWaalsContact C-N 3.25Å; Q453-L455 PolarHBondContact O-N 3.29Å; L455-N471 WeakPolarHBondContact CD2-ND2 3.39Å |
| 456 | L | 65.9 | Low | 64.1 | Low | 133 Ų | 133 | 105.5 Ų | 105.5 | 70% | 0.696 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.1 | -42 | 175 | -69.8 | 164.1 | 0 | 0 | 0 | 112.1 | Q452 Q453 M454 G458 | Q452-L456 WeakPolarHBondContact O-CG 3.38Å; Q452-L456 PolarHBondContact O-N 3.15Å; Q453-L456 WeakPolarHBondContact O-CB 3.35Å; Q453-L456 PolarHBondContact O-N 3.41Å; Q453-L456 VanDerWaalsContact O-N 3.1Å; M454-L456 VanDerWaalsContact C-N 3.35Å; L456-G458 VanDerWaalsContact C-N 3.33Å |
| 457 | E | 68.8 | Low | 62.2 | Low | 137 Ų | 137 | 108.2 Ų | 108.2 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.1 | -23.2 | 178.9 | -69.2 | 175.3 | -169.9 | 0 | 0 | 112.9 | Q453 G459 | Q453-E457 HydrophobicContact CG-CG 4.43Å; Q453-E457 VanDerWaalsContact CG-OE1 3.32Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.49Å; Q453-E457 PolarHBondContact NE2-OE1 2.87Å; Q453-E457 PolarHBondContact O-N 2.79Å; E457-G459 PolarHBondContact O-N 2.85Å; E457-G459 VanDerWaalsContact O-N 3.17Å |
| 458 | G | 59.9 | Low | 60.6 | Low | 57 Ų | 57 | 111.1 Ų | 111.1 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 2.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | M454 L456 V460 | M454-G458 PolarHBondContact O-N 2.93Å; L456-G458 VanDerWaalsContact C-N 3.33Å; G458-V460 VanDerWaalsContact C-N 3.35Å; G458-V460 PolarHBondContact O-N 3.39Å |
| 459 | G | 50.5 | Low | 58.9 | Low | 61 Ų | 61 | 118 Ų | 118 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.7 | 16.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E457 N461 | E457-G459 PolarHBondContact O-N 2.85Å; E457-G459 VanDerWaalsContact O-N 3.17Å; G459-N461 PolarHBondContact O-N 3.28Å |
| 460 | V | 48.1 | Very low | 57.5 | Low | 108 Ų | 108 | 118.3 Ų | 118.3 | 66% | 0.655 | 65% | 0.647 | S | S | * | * | trans | -84.1 | 90.4 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | G458 Q462 | G458-V460 VanDerWaalsContact C-N 3.35Å; G458-V460 PolarHBondContact O-N 3.39Å; V460-Q462 PolarHBondContact O-N 2.87Å | ||
| 461 | N | 46.1 | Very low | 56.7 | Low | 149 Ų | 149 | 116.1 Ų | 116.1 | 80% | 0.797 | 64% | 0.636 | S | S | * | * | trans | -59.7 | 125.5 | 168.4 | -73.1 | -19.7 | 0 | 0 | 0 | 109.6 | G459 E463 | G459-N461 PolarHBondContact O-N 3.28Å; N461-E463 PolarHBondContact O-N 3.16Å | ||
| 462 | Q | 51 | Low | 55.9 | Low | 174 Ų | 174 | 119.2 Ų | 119.2 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -76.6 | 112.2 | 169.7 | -63.8 | 180 | 11.8 | 0 | 0 | 108.4 | V460 | V460-Q462 PolarHBondContact O-N 2.87Š| ||
| 463 | E | 39.8 | Very low | 55.5 | Low | 186 Ų | 186 | 118 Ų | 118 | 87% | 0.869 | 65% | 0.654 | S | S | * | * | trans | -85.6 | 136.6 | 163.4 | -67.4 | -165.4 | 147 | 0 | 0 | 109.3 | N461 G465 | N461-E463 PolarHBondContact O-N 3.16Å; E463-G465 VanDerWaalsContact C-N 3.26Å; E463-G465 PolarHBondContact O-N 3.12Å | ||
| 464 | D | 47.6 | Very low | 55.2 | Low | 181 Ų | 181 | 115.3 Ų | 115.3 | 97% | 0.968 | 64% | 0.642 | S | S | * | * | trans | -70.3 | 75.8 | -178.8 | -74.6 | -59 | 0 | 0 | 0 | 112.2 | ||||
| 465 | G | 41.4 | Very low | 55.1 | Low | 52 Ų | 52 | 114 Ų | 114 | 54% | 0.536 | 63% | 0.634 | S | S | . | * | trans | -111.5 | 138.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | E463 D467 | E463-G465 VanDerWaalsContact C-N 3.26Å; E463-G465 PolarHBondContact O-N 3.12Å; G465-D467 VanDerWaalsContact C-N 3.25Å; G465-D467 PolarHBondContact O-N 3.33Å; G465-D467 VanDerWaalsContact O-N 3.17Å | ||
| 466 | A | 43.9 | Very low | 55.2 | Low | 108 Ų | 108 | 117.7 Ų | 117.7 | 89% | 0.893 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -71.9 | -8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 467 | D | 45.8 | Very low | 55.6 | Low | 158 Ų | 158 | 112.4 Ų | 112.4 | 85% | 0.845 | 62% | 0.62 | S | S | * | * | trans | -104 | 79.1 | 179.3 | -75.4 | -54.2 | 0 | 0 | 0 | 111.4 | G465 Q469 | G465-D467 VanDerWaalsContact C-N 3.25Å; G465-D467 PolarHBondContact O-N 3.33Å; G465-D467 VanDerWaalsContact O-N 3.17Å; D467-Q469 PolarHBondContact O-N 3.16Å; D467-Q469 VanDerWaalsContact O-N 3.11Å | ||
| 468 | Q | 44.8 | Very low | 56 | Low | 154 Ų | 154 | 108.7 Ų | 108.7 | 72% | 0.72 | 61% | 0.605 | S | S | * | * | trans | -68.8 | 106.7 | 174.2 | -74.1 | -174.4 | -14.8 | 0 | 0 | 111.4 | Q470 | Q468-Q470 VanDerWaalsContact C-N 3.26Å; Q468-Q470 PolarHBondContact O-N 3.05Å | ||
| 469 | Q | 48.4 | Very low | 56.8 | Low | 195 Ų | 195 | 113.8 Ų | 113.8 | 91% | 0.911 | 61% | 0.606 | S | S | * | * | trans | -67 | 88.4 | 159.6 | -76.3 | -170.3 | -24.5 | 0 | 0 | 109.4 | D467 N471 | D467-Q469 PolarHBondContact O-N 3.16Å; D467-Q469 VanDerWaalsContact O-N 3.11Å; Q469-N471 PolarHBondContact O-N 2.96Å | ||
| 470 | Q | 53.1 | Low | 57.8 | Low | 123 Ų | 123 | 113.4 Ų | 113.4 | 58% | 0.575 | 59% | 0.594 | S | S | * | * | trans | -59.5 | 130.8 | -178.4 | -67.2 | -176 | -0.3 | 0 | 0 | 111.1 | Q468 L472 Q475 | Q468-Q470 VanDerWaalsContact C-N 3.26Å; Q468-Q470 PolarHBondContact O-N 3.05Å; Q470-L472 PolarHBondContact O-N 3.32Å; Q470-L472 VanDerWaalsContact O-N 3.16Å; Q470-Q475 HydrophobicContact CB-CG 4.32Å | ||
| 471 | N | 63.8 | Low | 59.5 | Low | 62 Ų | 62 | 109 Ų | 109 | 33% | 0.332 | 57% | 0.567 | S | S | . | * | trans | -71.8 | 113.2 | -169.8 | -144 | -30.3 | 0 | 0 | 0 | 110.2 | Y451 L455 Q469 T473 E474 Q475 | Y451-N471 PolarHBondContact OH-ND2 2.89Å; Y451-N471 PolarHBondContact OH-OD1 3.24Å; L455-N471 WeakPolarHBondContact CD2-ND2 3.39Å; Q469-N471 PolarHBondContact O-N 2.96Å; N471-T473 PolarHBondContact O-N 3.26Å; N471-T473 VanDerWaalsContact O-N 3.16Å; N471-E474 HydrophobicContact CB-CB 4.12Å; N471-E474 WeakPolarHBondContact O-CA 3.34Å; N471-E474 WeakPolarHBondContact O-CB 3.31Å; N471-E474 PolarHBondContact O-N 3.42Å; N471-Q475 PolarHBondContact O-N 3.3Å | ||
| 472 | L | 60.8 | Low | 61.1 | Low | 111 Ų | 111 | 107.3 Ų | 107.3 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -53.6 | -40.5 | -172.2 | -83.2 | 147 | 0 | 0 | 0 | 112.7 | Q470 E474 Q475 F476 | Q470-L472 PolarHBondContact O-N 3.32Å; Q470-L472 VanDerWaalsContact O-N 3.16Å; L472-E474 VanDerWaalsContact C-N 3.34Å; L472-E474 PolarHBondContact O-N 2.58Å; L472-Q475 WeakPolarHBondContact O-CB 3.29Å; L472-Q475 PolarHBondContact O-N 3.37Å; L472-F476 HydrophobicContact CD2-CE2 4.44Å; L472-F476 WeakPolarHBondContact O-CD2 3.35Å; L472-F476 PolarHBondContact O-N 3.45Å |
| 473 | T | 64.9 | Low | 62.5 | Low | 63 Ų | 63 | 104.9 Ų | 104.9 | 39% | 0.387 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 176.1 | -52 | 0 | 0 | 0 | 0 | 112.1 | Y451 N471 F476 L477 | Y451-T473 HydrophobicContact CD1-CG2 4.33Å; Y451-T473 HydrophobicContact CD2-CG2 4.17Å; Y451-T473 HydrophobicContact CE1-CG2 3.96Å; Y451-T473 HydrophobicContact CE2-CG2 3.82Å; Y451-T473 HydrophobicContact CG-CG2 4.42Å; Y451-T473 WeakPolarHBondContact OH-CB 3.43Å; N471-T473 PolarHBondContact O-N 3.26Å; N471-T473 VanDerWaalsContact O-N 3.16Å; T473-F476 PolarHBondContact O-N 2.76Å; T473-L477 HydrophobicContact CG2-CD1 3.97Å; T473-L477 WeakPolarHBondContact O-CD1 3.43Å; T473-L477 PolarHBondContact O-N 2.93Å |
| 474 | E | 72.4 | Confident | 64.2 | Low | 45 Ų | 45 | 96.9 Ų | 96.9 | 21% | 0.21 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 176.7 | -174.7 | 170.1 | -152.3 | 0 | 0 | 111.5 | Y451 Q452 N471 L472 L477 N478 | Y451-E474 HydrophobicContact CD1-CB 4.43Å; Y451-E474 HydrophobicContact CE1-CB 4.12Å; Q452-E474 PolarHBondContact NE2-OE1 3.01Å; N471-E474 HydrophobicContact CB-CB 4.12Å; N471-E474 WeakPolarHBondContact O-CA 3.34Å; N471-E474 WeakPolarHBondContact O-CB 3.31Å; N471-E474 PolarHBondContact O-N 3.42Å; L472-E474 VanDerWaalsContact C-N 3.34Å; L472-E474 PolarHBondContact O-N 2.58Å; E474-L477 PolarHBondContact O-N 3Å; E474-N478 VanDerWaalsContact O-CB 3.32Å; E474-N478 WeakPolarHBondContact O-CB 3.39Å; E474-N478 PolarHBondContact O-N 3.37Å; E474-N478 PolarHBondContact O-ND2 3.4Å |
| 475 | Q | 69.5 | Low | 65.5 | Low | 83 Ų | 83 | 89 Ų | 89 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 170.2 | -69 | -176.1 | -22.7 | 0 | 0 | 111.9 | Q470 N471 L472 N478 R479 | Q470-Q475 HydrophobicContact CB-CG 4.32Å; N471-Q475 PolarHBondContact O-N 3.3Å; L472-Q475 WeakPolarHBondContact O-CB 3.29Å; L472-Q475 PolarHBondContact O-N 3.37Å; Q475-N478 PolarHBondContact O-N 2.89Å; Q475-R479 VanDerWaalsContact O-CB 3.27Å; Q475-R479 WeakPolarHBondContact O-CB 3.18Å; Q475-R479 PolarHBondContact O-N 2.9Å |
| 476 | F | 73.2 | Confident | 67.3 | Low | 131 Ų | 131 | 91.3 Ų | 91.3 | 58% | 0.575 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 177 | -82.4 | -64.7 | 0 | 0 | 0 | 112.2 | L472 T473 S480 | L472-F476 HydrophobicContact CD2-CE2 4.44Å; L472-F476 WeakPolarHBondContact O-CD2 3.35Å; L472-F476 PolarHBondContact O-N 3.45Å; T473-F476 PolarHBondContact O-N 2.76Å; F476-S480 WeakPolarHBondContact O-CB 3.47Å; F476-S480 PolarHBondContact O-N 3.13Å; F476-S480 PolarHBondContact O-OG 3.29Å |
| 477 | L | 74.1 | Confident | 68.7 | Low | 22 Ų | 22 | 90.5 Ų | 90.5 | 12% | 0.115 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 174.6 | -87.8 | 86.5 | 0 | 0 | 0 | 111.7 | Q447 R448 T473 E474 R479 S480 I481 | Q447-L477 HydrophobicContact CB-CD2 3.9Å; Q447-L477 HydrophobicContact CG-CD2 3.92Å; R448-L477 HydrophobicContact CB-CB 4.47Å; R448-L477 HydrophobicContact CB-CD2 3.89Å; T473-L477 HydrophobicContact CG2-CD1 3.97Å; T473-L477 WeakPolarHBondContact O-CD1 3.43Å; T473-L477 PolarHBondContact O-N 2.93Å; E474-L477 PolarHBondContact O-N 3Å; L477-R479 PolarHBondContact O-N 3.02Å; L477-S480 WeakPolarHBondContact O-CB 3.35Å; L477-S480 PolarHBondContact O-N 2.87Å; L477-S480 VanDerWaalsContact O-N 3.1Å; L477-I481 WeakPolarHBondContact O-CB 3.38Å; L477-I481 WeakPolarHBondContact O-CD1 3.4Å; L477-I481 VanDerWaalsContact O-CG1 3.23Å; L477-I481 WeakPolarHBondContact O-CG1 3.36Å; L477-I481 PolarHBondContact O-N 3.07Å |
| 478 | N | 77.5 | Confident | 70.3 | Confident | 60 Ų | 60 | 84.3 Ų | 84.3 | 32% | 0.321 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 178.8 | -77.7 | -38.2 | 0 | 0 | 0 | 112.3 | R448 E474 Q475 S480 I481 Q482 | R448-N478 WeakPolarHBondContact CD-OD1 3.47Å; R448-N478 PolarHBondContact NH1-OD1 2.85Å; E474-N478 VanDerWaalsContact O-CB 3.32Å; E474-N478 WeakPolarHBondContact O-CB 3.39Å; E474-N478 PolarHBondContact O-N 3.37Å; E474-N478 PolarHBondContact O-ND2 3.4Å; Q475-N478 PolarHBondContact O-N 2.89Å; N478-S480 VanDerWaalsContact C-N 3.3Å; N478-S480 PolarHBondContact O-N 2.96Å; N478-I481 PolarHBondContact O-N 3.3Å; N478-Q482 VanDerWaalsContact O-CB 3.3Å; N478-Q482 WeakPolarHBondContact O-CB 3.23Å; N478-Q482 PolarHBondContact O-N 2.91Å |
| 479 | R | 76.4 | Confident | 71.6 | Confident | 164 Ų | 164 | 82.3 Ų | 82.3 | 62% | 0.619 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.5 | -30.8 | 173.8 | -165.4 | 178.4 | -172.9 | -161.3 | 1.2 | 112.8 | Q475 L477 K483 | Q475-R479 VanDerWaalsContact O-CB 3.27Å; Q475-R479 WeakPolarHBondContact O-CB 3.18Å; Q475-R479 PolarHBondContact O-N 2.9Å; L477-R479 PolarHBondContact O-N 3.02Å; R479-K483 PolarHBondContact O-N 3.24Å; R479-K483 VanDerWaalsContact O-N 3.16Å |
| 480 | S | 70.8 | Confident | 72.8 | Confident | 53 Ų | 53 | 74.5 Ų | 74.5 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73.2 | -44.6 | 174.2 | -56 | 0 | 0 | 0 | 0 | 112.1 | F476 L477 N478 Q482 K483 L484 | F476-S480 WeakPolarHBondContact O-CB 3.47Å; F476-S480 PolarHBondContact O-N 3.13Å; F476-S480 PolarHBondContact O-OG 3.29Å; L477-S480 WeakPolarHBondContact O-CB 3.35Å; L477-S480 PolarHBondContact O-N 2.87Å; L477-S480 VanDerWaalsContact O-N 3.1Å; N478-S480 VanDerWaalsContact C-N 3.3Å; N478-S480 PolarHBondContact O-N 2.96Å; S480-Q482 VanDerWaalsContact C-N 3.34Å; S480-K483 PolarHBondContact O-N 2.96Å; S480-L484 WeakPolarHBondContact O-CG 3.22Å; S480-L484 PolarHBondContact O-N 3.26Å |
| 481 | I | 85.4 | Confident | 73.8 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.6 | -68.7 | 162.4 | 0 | 0 | 0 | 109.7 | L441 K444 E445 R448 L477 N478 L484 G485 | L441-I481 HydrophobicContact CD1-CB 4.42Å; L441-I481 HydrophobicContact CD1-CG2 3.82Å; L441-I481 WeakPolarHBondContact CD1-O 3.48Å; K444-I481 HydrophobicContact CB-CD1 4.45Å; K444-I481 HydrophobicContact CB-CG1 3.74Å; E445-I481 HydrophobicContact CG-CD1 4.21Å; E445-I481 HydrophobicContact CG-CG1 4.33Å; E445-I481 HydrophobicContact CG-CG2 4.04Å; R448-I481 HydrophobicContact CB-CD1 4.01Å; L477-I481 WeakPolarHBondContact O-CB 3.38Å; L477-I481 WeakPolarHBondContact O-CD1 3.4Å; L477-I481 VanDerWaalsContact O-CG1 3.23Å; L477-I481 WeakPolarHBondContact O-CG1 3.36Å; L477-I481 PolarHBondContact O-N 3.07Å; N478-I481 PolarHBondContact O-N 3.3Å; I481-L484 PolarHBondContact O-N 3.28Å; I481-G485 PolarHBondContact O-N 3.38Å |
| 482 | Q | 79.8 | Confident | 74.1 | Confident | 114 Ų | 114 | 70.5 Ų | 70.5 | 53% | 0.533 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.7 | -52.6 | 174.9 | -178.6 | -177 | -16.6 | 0 | 0 | 111.6 | N478 S480 L484 G485 E486 | N478-Q482 VanDerWaalsContact O-CB 3.3Å; N478-Q482 WeakPolarHBondContact O-CB 3.23Å; N478-Q482 PolarHBondContact O-N 2.91Å; S480-Q482 VanDerWaalsContact C-N 3.34Å; Q482-L484 VanDerWaalsContact C-N 3.29Å; Q482-L484 PolarHBondContact O-N 3.48Å; Q482-G485 CarbonylContact O-C 3.59Å; Q482-G485 WeakPolarHBondContact O-CA 3.46Å; Q482-G485 PolarHBondContact O-N 3.48Å; Q482-G485 VanDerWaalsContact O-N 3.08Å; Q482-E486 HydrophobicContact CG-CG 4.42Å; Q482-E486 WeakPolarHBondContact CG-OE1 3.35Å; Q482-E486 PolarHBondContact NE2-OE1 3.02Å; Q482-E486 WeakPolarHBondContact O-CG 3.39Å; Q482-E486 PolarHBondContact O-N 2.91Å |
| 483 | K | 78.8 | Confident | 74.6 | Confident | 122 Ų | 122 | 68.3 Ų | 68.3 | 53% | 0.53 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -36.3 | 177.9 | -80.3 | -168.8 | 171.4 | -167 | 0 | 113.1 | R479 S480 L487 | R479-K483 PolarHBondContact O-N 3.24Å; R479-K483 VanDerWaalsContact O-N 3.16Å; S480-K483 PolarHBondContact O-N 2.96Å; K483-L487 WeakPolarHBondContact O-CB 3.34Å; K483-L487 VanDerWaalsContact O-CG 3.28Å; K483-L487 WeakPolarHBondContact O-CG 3.27Å; K483-L487 PolarHBondContact O-N 3.38Å |
| 484 | L | 76.5 | Confident | 74.7 | Confident | 18 Ų | 18 | 69 Ų | 69 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.1 | -35.8 | 175 | -75.1 | 163.6 | 0 | 0 | 0 | 112.1 | Y437 H440 L441 K444 S480 I481 Q482 N488 | Y437-L484 HydrophobicContact CD1-CD2 4.46Å; H440-L484 WeakPolarHBondContact ND1-CD2 3.5Å; L441-L484 HydrophobicContact CB-CB 4.35Å; L441-L484 HydrophobicContact CD1-CB 3.75Å; K444-L484 HydrophobicContact CB-CD1 4.47Å; K444-L484 HydrophobicContact CG-CD1 3.93Å; S480-L484 WeakPolarHBondContact O-CG 3.22Å; S480-L484 PolarHBondContact O-N 3.26Å; I481-L484 PolarHBondContact O-N 3.28Å; Q482-L484 VanDerWaalsContact C-N 3.29Å; Q482-L484 PolarHBondContact O-N 3.48Å; L484-N488 WeakPolarHBondContact O-CB 3.45Å; L484-N488 PolarHBondContact O-N 3.48Å |
| 485 | G | 73.9 | Confident | 74.5 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I481 Q482 L487 N488 I489 | I481-G485 PolarHBondContact O-N 3.38Å; Q482-G485 CarbonylContact O-C 3.59Å; Q482-G485 WeakPolarHBondContact O-CA 3.46Å; Q482-G485 PolarHBondContact O-N 3.48Å; Q482-G485 VanDerWaalsContact O-N 3.08Å; G485-L487 PolarHBondContact O-N 3.33Å; G485-N488 PolarHBondContact O-N 2.95Å; G485-N488 VanDerWaalsContact O-N 3.16Å; G485-I489 VanDerWaalsContact O-CG1 3.29Å; G485-I489 WeakPolarHBondContact O-CG1 3.32Å; G485-I489 PolarHBondContact O-N 3.5Å |
| 486 | E | 80.8 | Confident | 74.4 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175.3 | -72.1 | 166 | 178 | 0 | 0 | 111.7 | Q482 I489 G490 | Q482-E486 HydrophobicContact CG-CG 4.42Å; Q482-E486 WeakPolarHBondContact CG-OE1 3.35Å; Q482-E486 PolarHBondContact NE2-OE1 3.02Å; Q482-E486 WeakPolarHBondContact O-CG 3.39Å; Q482-E486 PolarHBondContact O-N 2.91Å; E486-I489 PolarHBondContact O-N 2.85Å; E486-G490 PolarHBondContact O-N 2.88Å |
| 487 | L | 73.3 | Confident | 74.2 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 174 | -73.2 | 169 | 0 | 0 | 0 | 112.6 | Y437 K483 G485 G490 M491 | Y437-L487 HydrophobicContact CE1-CD1 4.48Å; K483-L487 WeakPolarHBondContact O-CB 3.34Å; K483-L487 VanDerWaalsContact O-CG 3.28Å; K483-L487 WeakPolarHBondContact O-CG 3.27Å; K483-L487 PolarHBondContact O-N 3.38Å; G485-L487 PolarHBondContact O-N 3.33Å; L487-G490 PolarHBondContact O-N 2.98Å; L487-M491 WeakPolarHBondContact O-CG 3.14Å; L487-M491 PolarHBondContact O-N 3.22Å |
| 488 | N | 77.9 | Confident | 73.9 | Confident | 28 Ų | 28 | 65 Ų | 65 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.5 | -36.7 | 176.4 | -171.4 | 60.4 | 0 | 0 | 0 | 112.1 | L484 G485 G490 M491 D492 | L484-N488 WeakPolarHBondContact O-CB 3.45Å; L484-N488 PolarHBondContact O-N 3.48Å; G485-N488 PolarHBondContact O-N 2.95Å; G485-N488 VanDerWaalsContact O-N 3.16Å; N488-G490 VanDerWaalsContact C-N 3.35Å; N488-M491 WeakPolarHBondContact O-CB 3.32Å; N488-M491 PolarHBondContact O-N 2.8Å; N488-D492 PolarHBondContact O-N 3.29Å; N488-D492 VanDerWaalsContact O-N 3.14Å |
| 489 | I | 72.9 | Confident | 73.2 | Confident | 113 Ų | 113 | 68.1 Ų | 68.1 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67 | -37 | 171.1 | -67 | 162.2 | 0 | 0 | 0 | 110.6 | G485 E486 M491 D492 S493 | G485-I489 VanDerWaalsContact O-CG1 3.29Å; G485-I489 WeakPolarHBondContact O-CG1 3.32Å; G485-I489 PolarHBondContact O-N 3.5Å; E486-I489 PolarHBondContact O-N 2.85Å; I489-M491 VanDerWaalsContact C-N 3.26Å; I489-M491 PolarHBondContact O-N 2.98Å; I489-D492 WeakPolarHBondContact O-CA 3.42Å; I489-D492 WeakPolarHBondContact O-CB 3.35Å; I489-D492 PolarHBondContact O-N 2.84Å; I489-S493 PolarHBondContact O-N 2.97Å |
| 490 | G | 72.8 | Confident | 72.6 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -34.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E486 L487 N488 S493 L494 | E486-G490 PolarHBondContact O-N 2.88Å; L487-G490 PolarHBondContact O-N 2.98Å; N488-G490 VanDerWaalsContact C-N 3.35Å; G490-S493 WeakPolarHBondContact CA-OG 3.5Å; G490-S493 PolarHBondContact O-N 3.01Å; G490-S493 PolarHBondContact O-OG 2.74Å; G490-L494 PolarHBondContact O-N 3.47Å |
| 491 | M | 73.8 | Confident | 71.9 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.3 | -32.8 | 169.9 | -65.9 | -71.1 | 94.7 | 0 | 0 | 112.5 | Y430 Y437 L487 N488 I489 L494 G495 | Y430-M491 HydrophobicContact CD2-SD 4.23Å; Y430-M491 HydrophobicContact CE2-CB 4.12Å; Y430-M491 WeakPolarHBondContact CE2-O 3.14Å; Y430-M491 HydrophobicContact CE2-SD 4.1Å; Y430-M491 PolarHBondContact OH-O 3.38Å; Y437-M491 HydrophobicContact CD2-CG 4.01Å; Y437-M491 HydrophobicContact CD2-SD 4.44Å; Y437-M491 HydrophobicContact CE2-CG 4.2Å; Y437-M491 HydrophobicContact CE2-SD 4.18Å; L487-M491 WeakPolarHBondContact O-CG 3.14Å; L487-M491 PolarHBondContact O-N 3.22Å; N488-M491 WeakPolarHBondContact O-CB 3.32Å; N488-M491 PolarHBondContact O-N 2.8Å; I489-M491 VanDerWaalsContact C-N 3.26Å; I489-M491 PolarHBondContact O-N 2.98Å; M491-L494 HydrophobicContact CE-CB 4.48Å; M491-L494 HydrophobicContact CE-CD2 3.79Å; M491-L494 PolarHBondContact O-N 2.82Å; M491-G495 PolarHBondContact O-N 2.82Å |
| 492 | D | 70.4 | Confident | 70.5 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 173.4 | -81.3 | -51.7 | 0 | 0 | 0 | 112.6 | R434 N488 I489 G495 S496 | R434-D492 IonicContact CZ-OD1 3.6Å; R434-D492 IonicContact NH1-OD1 3.15Å; R434-D492 PolarHBondContact NH1-OD1 3.26Å; R434-D492 IonicContact NH2-OD1 3.35Å; R434-D492 PolarHBondContact NH2-OD1 3.47Å; R434-D492 IonicContact NH2-OD2 2.69Å; R434-D492 PolarHBondContact NH2-OD2 3.35Å; N488-D492 PolarHBondContact O-N 3.29Å; N488-D492 VanDerWaalsContact O-N 3.14Å; I489-D492 WeakPolarHBondContact O-CA 3.42Å; I489-D492 WeakPolarHBondContact O-CB 3.35Å; I489-D492 PolarHBondContact O-N 2.84Å; D492-G495 WeakPolarHBondContact O-CA 3.34Å; D492-G495 PolarHBondContact O-N 3.13Å; D492-G495 VanDerWaalsContact O-N 3.17Å; D492-S496 PolarHBondContact O-N 2.85Å |
| 493 | S | 71.9 | Confident | 69.2 | Low | 66 Ų | 66 | 68 Ų | 68 | 46% | 0.462 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 172.1 | 36.6 | 0 | 0 | 0 | 0 | 112.9 | I489 G490 G495 S496 D497 | I489-S493 PolarHBondContact O-N 2.97Å; G490-S493 WeakPolarHBondContact CA-OG 3.5Å; G490-S493 PolarHBondContact O-N 3.01Å; G490-S493 PolarHBondContact O-OG 2.74Å; S493-G495 PolarHBondContact O-N 3.41Å; S493-S496 PolarHBondContact O-N 2.66Å; S493-S496 PolarHBondContact O-OG 2.61Å; S493-D497 PolarHBondContact O-N 3.4Å |
| 494 | L | 67.4 | Low | 68 | Low | 78 Ų | 78 | 69.4 Ų | 69.4 | 41% | 0.408 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.5 | -30.3 | 174.5 | -160.9 | 70.8 | 0 | 0 | 0 | 111.4 | Y430 G490 M491 D497 V498 | Y430-L494 HydrophobicContact CD2-CD2 4.38Å; G490-L494 PolarHBondContact O-N 3.47Å; M491-L494 HydrophobicContact CE-CB 4.48Å; M491-L494 HydrophobicContact CE-CD2 3.79Å; M491-L494 PolarHBondContact O-N 2.82Å; L494-D497 PolarHBondContact O-N 3.02Å; L494-V498 WeakPolarHBondContact O-CB 3.47Å; L494-V498 VanDerWaalsContact O-CG2 3.31Å; L494-V498 WeakPolarHBondContact O-CG2 3.35Å; L494-V498 PolarHBondContact O-N 3.23Å |
| 495 | G | 67.9 | Low | 66.5 | Low | 14 Ų | 14 | 72.6 Ų | 72.6 | 14% | 0.144 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y430 M491 D492 S493 Q499 | Y430-G495 WeakPolarHBondContact OH-CA 3.49Å; M491-G495 PolarHBondContact O-N 2.82Å; D492-G495 WeakPolarHBondContact O-CA 3.34Å; D492-G495 PolarHBondContact O-N 3.13Å; D492-G495 VanDerWaalsContact O-N 3.17Å; S493-G495 PolarHBondContact O-N 3.41Å; G495-Q499 VanDerWaalsContact O-CB 3.24Å; G495-Q499 WeakPolarHBondContact O-CB 3.2Å; G495-Q499 PolarHBondContact O-N 3.43Å |
| 496 | S | 66.6 | Low | 65.1 | Low | 60 Ų | 60 | 78.2 Ų | 78.2 | 42% | 0.42 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 171.4 | 30.8 | 0 | 0 | 0 | 0 | 112.2 | D492 S493 Q499 T500 | D492-S496 PolarHBondContact O-N 2.85Å; S493-S496 PolarHBondContact O-N 2.66Å; S493-S496 PolarHBondContact O-OG 2.61Å; S496-Q499 CarbonylContact O-C 3.6Å; S496-Q499 WeakPolarHBondContact O-CA 3.34Å; S496-Q499 WeakPolarHBondContact O-CB 3.41Å; S496-Q499 PolarHBondContact O-N 2.9Å; S496-Q499 VanDerWaalsContact O-N 3.11Å; S496-T500 WeakPolarHBondContact O-CG2 3.4Å; S496-T500 PolarHBondContact O-N 3.39Å |
| 497 | D | 68.4 | Low | 63 | Low | 92 Ų | 92 | 76.2 Ų | 76.2 | 49% | 0.492 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 177.8 | -63.9 | -31.5 | 0 | 0 | 0 | 111.3 | S493 L494 Q499 T500 L501 | S493-D497 PolarHBondContact O-N 3.4Å; L494-D497 PolarHBondContact O-N 3.02Å; D497-Q499 PolarHBondContact O-N 2.94Å; D497-T500 PolarHBondContact O-N 2.94Å; D497-T500 PolarHBondContact O-OG1 3.39Å; D497-L501 PolarHBondContact O-N 2.68Å |
| 498 | V | 67.9 | Low | 61 | Low | 31 Ų | 31 | 77.2 Ų | 77.2 | 19% | 0.188 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.3 | -33.5 | 173.3 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | F427 Y430 L494 S502 | F427-V498 HydrophobicContact CD2-CG1 3.45Å; F427-V498 VanDerWaalsContact CD2-CG1 3.45Å; F427-V498 HydrophobicContact CE2-CG1 3.76Å; Y430-V498 HydrophobicContact CD1-CG1 4.41Å; L494-V498 WeakPolarHBondContact O-CB 3.47Å; L494-V498 VanDerWaalsContact O-CG2 3.31Å; L494-V498 WeakPolarHBondContact O-CG2 3.35Å; L494-V498 PolarHBondContact O-N 3.23Å; V498-S502 WeakPolarHBondContact O-CB 3.29Å; V498-S502 PolarHBondContact O-N 3.28Å |
| 499 | Q | 63.6 | Low | 58.8 | Low | 124 Ų | 124 | 86.2 Ų | 86.2 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.5 | -31.3 | 175.7 | -163.4 | 169.2 | 48.4 | 0 | 0 | 112.8 | G495 S496 D497 S502 Q503 | G495-Q499 VanDerWaalsContact O-CB 3.24Å; G495-Q499 WeakPolarHBondContact O-CB 3.2Å; G495-Q499 PolarHBondContact O-N 3.43Å; S496-Q499 CarbonylContact O-C 3.6Å; S496-Q499 WeakPolarHBondContact O-CA 3.34Å; S496-Q499 WeakPolarHBondContact O-CB 3.41Å; S496-Q499 PolarHBondContact O-N 2.9Å; S496-Q499 VanDerWaalsContact O-N 3.11Å; D497-Q499 PolarHBondContact O-N 2.94Å; Q499-S502 WeakPolarHBondContact O-CB 3.41Å; Q499-S502 PolarHBondContact O-N 3.35Å; Q499-Q503 WeakPolarHBondContact O-CG 3.48Å; Q499-Q503 PolarHBondContact O-N 3.42Å |
| 500 | T | 64.3 | Low | 56.8 | Low | 69 Ų | 69 | 84 Ų | 84 | 42% | 0.423 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69 | -39.8 | 170.8 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | S496 D497 S502 Q503 Q504 | S496-T500 WeakPolarHBondContact O-CG2 3.4Å; S496-T500 PolarHBondContact O-N 3.39Å; D497-T500 PolarHBondContact O-N 2.94Å; D497-T500 PolarHBondContact O-OG1 3.39Å; T500-S502 VanDerWaalsContact C-N 3.34Å; T500-S502 PolarHBondContact O-N 2.92Å; T500-Q503 PolarHBondContact O-N 3.33Å; T500-Q503 VanDerWaalsContact O-N 3.14Å; T500-Q504 WeakPolarHBondContact O-CG 3.43Å; T500-Q504 PolarHBondContact O-N 2.86Å |
| 501 | L | 56.2 | Low | 54.6 | Low | 97 Ų | 97 | 91.2 Ų | 91.2 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 171.4 | -76.4 | 158.7 | 0 | 0 | 0 | 110.9 | D497 Q503 Q504 C505 | D497-L501 PolarHBondContact O-N 2.68Å; L501-Q503 VanDerWaalsContact C-N 3.3Å; L501-Q503 PolarHBondContact O-N 3.08Å; L501-Q504 PolarHBondContact O-N 3Å; L501-C505 PolarHBondContact O-N 3.01Å; L501-C505 PolarHBondContact O-SG 3.13Å; L501-C505 VanDerWaalsContact O-SG 3.38Å |
| 502 | S | 54.7 | Low | 52.4 | Low | 51 Ų | 51 | 94 Ų | 94 | 36% | 0.357 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.4 | -37.2 | 173.9 | -179.9 | 0 | 0 | 0 | 0 | 113.3 | V498 Q499 T500 N506 | V498-S502 WeakPolarHBondContact O-CB 3.29Å; V498-S502 PolarHBondContact O-N 3.28Å; Q499-S502 WeakPolarHBondContact O-CB 3.41Å; Q499-S502 PolarHBondContact O-N 3.35Å; T500-S502 VanDerWaalsContact C-N 3.34Å; T500-S502 PolarHBondContact O-N 2.92Å; S502-N506 PolarHBondContact O-N 3.46Å; S502-N506 PolarHBondContact O-ND2 3.2Å |
| 503 | Q | 53.4 | Low | 50.4 | Low | 128 Ų | 128 | 96.1 Ų | 96.1 | 60% | 0.598 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72 | -39.1 | 175.4 | -72.4 | 177 | 21.3 | 0 | 0 | 112.5 | Q499 T500 L501 C505 N506 G507 | Q499-Q503 WeakPolarHBondContact O-CG 3.48Å; Q499-Q503 PolarHBondContact O-N 3.42Å; T500-Q503 PolarHBondContact O-N 3.33Å; T500-Q503 VanDerWaalsContact O-N 3.14Å; L501-Q503 VanDerWaalsContact C-N 3.3Å; L501-Q503 PolarHBondContact O-N 3.08Å; Q503-C505 VanDerWaalsContact C-N 3.31Å; Q503-C505 PolarHBondContact O-N 3.15Å; Q503-N506 PolarHBondContact O-N 3.36Å; Q503-N506 VanDerWaalsContact O-N 3.14Å; Q503-G507 PolarHBondContact O-N 2.72Å; Q503-G507 VanDerWaalsContact O-N 3.08Å |
| 504 | Q | 52.9 | Low | 48.2 | Very low | 151 Ų | 151 | 98.2 Ų | 98.2 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.7 | -39.5 | 174.7 | -72.4 | -179.5 | 0.2 | 0 | 0 | 111.8 | T500 L501 N506 | T500-Q504 WeakPolarHBondContact O-CG 3.43Å; T500-Q504 PolarHBondContact O-N 2.86Å; L501-Q504 PolarHBondContact O-N 3Å; Q504-N506 VanDerWaalsContact C-N 3.27Å; Q504-N506 PolarHBondContact O-N 2.98Å |
| 505 | C | 45.7 | Very low | 46.1 | Very low | 85 Ų | 85 | 101.6 Ų | 101.6 | 57% | 0.574 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.2 | -18.5 | 176 | -64.6 | 0 | 0 | 0 | 0 | 114.8 | L501 Q503 | L501-C505 PolarHBondContact O-N 3.01Å; L501-C505 PolarHBondContact O-SG 3.13Å; L501-C505 VanDerWaalsContact O-SG 3.38Å; Q503-C505 VanDerWaalsContact C-N 3.31Å; Q503-C505 PolarHBondContact O-N 3.15Å |
| 506 | N | 43.6 | Very low | 45.1 | Very low | 134 Ų | 134 | 106.3 Ų | 106.3 | 72% | 0.717 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -110.7 | -8.7 | -175.1 | -76.2 | -67.4 | 0 | 0 | 0 | 114.4 | S502 Q503 Q504 S508 | S502-N506 PolarHBondContact O-N 3.46Å; S502-N506 PolarHBondContact O-ND2 3.2Å; Q503-N506 PolarHBondContact O-N 3.36Å; Q503-N506 VanDerWaalsContact O-N 3.14Å; Q504-N506 VanDerWaalsContact C-N 3.27Å; Q504-N506 PolarHBondContact O-N 2.98Å; N506-S508 PolarHBondContact O-N 2.98Å |
| 507 | G | 37.3 | Very low | 43.1 | Very low | 58 Ų | 58 | 107.8 Ų | 107.8 | 60% | 0.598 | 65% | 0.649 | S | S | * | * | trans | -90.4 | 71.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q503 | Q503-G507 PolarHBondContact O-N 2.72Å; Q503-G507 VanDerWaalsContact O-N 3.08Å | ||
| 508 | S | 31.8 | Very low | 41.1 | Very low | 112 Ų | 112 | 108 Ų | 108 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | trans | -159.6 | 93.1 | 166.5 | -89.5 | 0 | 0 | 0 | 0 | 116.4 | N506 | N506-S508 PolarHBondContact O-N 2.98Š| ||
| 509 | K | 31.8 | Very low | 39.2 | Very low | 216 Ų | 216 | 112.6 Ų | 112.6 | 94% | 0.939 | 68% | 0.681 | S | S | * | * | trans | -170.9 | 106.8 | 145.4 | -108.9 | 157.8 | -173.1 | 170.9 | 0 | 114.5 | ||||
| 510 | G | 29.5 | Very low | 37.5 | Very low | 68 Ų | 68 | 115.4 Ų | 115.4 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | trans | 71.9 | 104.9 | 141 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 511 | N | 27.7 | Very low | 35.7 | Very low | 181 Ų | 181 | 117.5 Ų | 117.5 | 97% | 0.968 | 70% | 0.704 | S | S | * | * | -168.2 | 172.8 | 101.5 | -96 | -22.9 | 0 | 0 | 0 | 111.3 | |||||
| 512 | A | 27.3 | Very low | 34.4 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | -130.2 | 149.6 | -155.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 513 | S | 28.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | 69 | 157.1 | 158.2 | 79.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 514 | T | 25.9 | Very low | 33.5 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | cis | -147.8 | 149.9 | 8.8 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 515 | N | 23.1 | Very low | 32.5 | Very low | 149 Ų | 149 | 117.4 Ų | 117.4 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | 44.2 | 167.5 | 136.9 | -64.5 | -4.4 | 0 | 0 | 0 | 122.9 | ||||
| 516 | P | 47.5 | Very low | 31.6 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -134.3 | -170.7 | -42.2 | 39.4 | -22.9 | 0 | 0 | 0 | 112.8 | ||||
| 517 | A | 23.8 | Very low | 30.8 | Very low | 92 Ų | 92 | 118 Ų | 118 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | 68.9 | 158 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 518 | S | 27 | Very low | 30.4 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | -167.2 | 133.4 | -25.3 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 519 | N | 26.9 | Very low | 30.3 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | 58.2 | 159.7 | 141.9 | -62.5 | 1.3 | 0 | 0 | 0 | 123.9 | ||||
| 520 | F | 28.7 | Very low | 30.1 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 80% | 0.803 | 75% | 0.752 | S | S | * | * | trans | 79 | 135.6 | 159.1 | -57.1 | -56.4 | 0 | 0 | 0 | 117.1 | ||||
| 521 | T | 26.9 | Very low | 30 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | cis | -154.1 | 126.9 | 0.6 | 7.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 522 | S | 29.1 | Very low | 30 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | 71.5 | 158.8 | 79.9 | 88.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 523 | P | 41.6 | Very low | 30 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | cis | -135.9 | -167.3 | -27.9 | 36.1 | -16.2 | 0 | 0 | 0 | 112 | ||||
| 524 | P | 47.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | -108.1 | -125.4 | -11.5 | 25 | -0.7 | 0 | 0 | 0 | 109.4 | ||||
| 525 | S | 30.7 | Very low | 29.9 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -169.3 | 147.3 | -6.5 | 26.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 526 | D | 26.4 | Very low | 30.1 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | cis | -162.1 | -145.3 | -18 | -153.3 | -93.1 | 0 | 0 | 0 | 109.7 | ||||
| 527 | A | 28.6 | Very low | 29.2 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | trans | -3.1 | 138.5 | 164 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 528 | S | 28.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | cis | -168.3 | 142.9 | -2.4 | 42.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 529 | Q | 28.7 | Very low | 29.3 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | 42.6 | 161.7 | 144 | -57 | -179.6 | 4.4 | 0 | 0 | 124.4 | ||||
| 530 | R | 27.6 | Very low | 29.1 | Very low | 231 Ų | 231 | 128.2 Ų | 128.2 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | cis | 179 | 167.3 | -40.5 | -154.5 | -179.3 | -166.9 | -166.3 | 5.1 | 110.6 | ||||
| 531 | V | 28.9 | Very low | 29 | Very low | 120 Ų | 120 | 124 Ų | 124 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 82.5 | 139.3 | 163.5 | -171.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 532 | T | 26.8 | Very low | 28.8 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | cis | -136.9 | -138.5 | 35.7 | -30.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 533 | A | 28 | Very low | 29.4 | Very low | 83 Ų | 83 | 125 Ų | 125 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | trans | -159.3 | -168.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 534 | D | 25.4 | Very low | 28.6 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | cis | -172.9 | -175.1 | 6.9 | -144.3 | 44.8 | 0 | 0 | 0 | 107.9 | ||||
| 535 | S | 26.1 | Very low | 27.6 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 55% | 0.552 | 74% | 0.744 | S | S | * | * | -159 | -168.8 | -59.3 | 66 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 536 | Q | 28.2 | Very low | 27.3 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 83.8 | 124.5 | 157.3 | -74.6 | -175 | 42.7 | 0 | 0 | 126.3 | ||||
| 537 | N | 27.2 | Very low | 27.1 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | 80 | 112.2 | 122.5 | -67.3 | -18.1 | 0 | 0 | 0 | 129 | |||||
| 538 | V | 27.6 | Very low | 27 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | 77.1 | 133.5 | 113.7 | 174.5 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 539 | N | 26.1 | Very low | 26.9 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 77.8 | 159.5 | 154.9 | -79.6 | 0.3 | 0 | 0 | 0 | 123.1 | ||||
| 540 | T | 22.9 | Very low | 26.8 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -167.7 | 160.8 | -24.2 | 29.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 541 | S | 25.3 | Very low | 26.6 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | trans | 67.3 | 106.9 | 140.5 | 62 | 0 | 0 | 0 | 0 | 127 | ||||
| 542 | T | 23.9 | Very low | 26.2 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | 41.1 | 168.4 | 113.3 | 43.7 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 543 | P | 40.5 | Very low | 26.7 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | cis | -150 | 172.1 | -34 | 41.1 | -22.1 | 0 | 0 | 0 | 119.7 | ||||
| 544 | R | 26.3 | Very low | 26.4 | Very low | 229 Ų | 229 | 137 Ų | 137 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | 68.5 | 156.8 | 144.4 | -84.1 | 171.9 | 172.6 | -176.1 | -3.5 | 120.9 | ||||
| 545 | K | 26.2 | Very low | 26.9 | Very low | 193 Ų | 193 | 135 Ų | 135 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | cis | -130.4 | -151.2 | 2.7 | -56.7 | 84.2 | 173.5 | -175.4 | 0 | 108.9 | ||||
| 546 | R | 23.4 | Very low | 26.7 | Very low | 224 Ų | 224 | 139.1 Ų | 139.1 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | cis | -167 | 163.9 | -10.7 | -162.4 | -164.6 | 174.3 | 176.6 | 0.5 | 106.2 | ||||
| 547 | G | 22.3 | Very low | 26.4 | Very low | 59 Ų | 59 | 139.7 Ų | 139.7 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | cis | 140.8 | 135.5 | -19.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 548 | S | 26.8 | Very low | 26.1 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 81.7 | 122.1 | 163.3 | 71.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 549 | A | 26.3 | Very low | 26.6 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | 110.1 | 111.9 | 131.7 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 550 | N | 26.8 | Very low | 26.5 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | 62.8 | 131.3 | 128.8 | -71.1 | 13.6 | 0 | 0 | 0 | 128.8 | |||||
| 551 | Q | 23.8 | Very low | 26.4 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 85.8 | 113.9 | 134.9 | -73.9 | 176.9 | -13.7 | 0 | 0 | 125.8 | ||||
| 552 | I | 21.1 | Very low | 26.4 | Very low | 150 Ų | 150 | 142 Ų | 142 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 52.2 | 144.3 | 117.1 | -58.9 | 173.9 | 0 | 0 | 0 | 120.5 | |||||
| 553 | P | 35.4 | Very low | 26.3 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -135.3 | -164.5 | -10.8 | 39.9 | -18.7 | 0 | 0 | 0 | 117.2 | ||||
| 554 | F | 23.4 | Very low | 25.5 | Very low | 196 Ų | 196 | 145 Ų | 145 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -56.6 | -176.8 | 166.8 | -65.6 | -81.4 | 0 | 0 | 0 | 116.8 | ||||
| 555 | P | 34.5 | Very low | 25.4 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -137.7 | -149.9 | 13.4 | 37.1 | -10.5 | 0 | 0 | 0 | 114.6 | ||||
| 556 | E | 22.3 | Very low | 25.2 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -165.2 | 179.1 | 4.8 | -154.5 | 42.7 | -81 | 0 | 0 | 114 | ||||
| 557 | E | 22.6 | Very low | 25.3 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 85.2 | 165.7 | 152.1 | -69.1 | -157.6 | 143.2 | 0 | 0 | 124.2 | ||||
| 558 | S | 21.5 | Very low | 25.4 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -157.7 | -162 | -176.2 | -55.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 559 | P | 37.8 | Very low | 25.3 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -130.2 | -155.9 | -21.7 | 39.8 | -20.2 | 0 | 0 | 0 | 112.2 | ||||
| 560 | V | 23.1 | Very low | 25.1 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 146.5 | 155.4 | 141.2 | 168.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 561 | Q | 22.1 | Very low | 25 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -90.1 | 162.2 | -167.4 | -57.2 | 149.4 | -46.2 | 0 | 0 | 114.6 | ||||
| 562 | G | 23.6 | Very low | 25 | Very low | 82 Ų | 82 | 142.3 Ų | 142.3 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -155.1 | 136.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 563 | N | 22.9 | Very low | 25 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -119.3 | 159.4 | -157 | -141.7 | -3.3 | 0 | 0 | 0 | 113.7 | ||||
| 564 | Q | 23.6 | Very low | 25.1 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 70% | 0.696 | 80% | 0.799 | S | S | * | * | trans | 82.3 | 124.4 | 146.2 | -77.4 | 174.4 | -3.8 | 0 | 0 | 124.9 | ||||
| 565 | I | 24.2 | Very low | 25.2 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | 97.1 | 126.9 | 127.1 | -67.6 | 166.5 | 0 | 0 | 0 | 122.5 | |||||
| 566 | L | 22.8 | Very low | 24.7 | Very low | 157 Ų | 157 | 146.1 Ų | 146.1 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -48.2 | 147.9 | 173.3 | -61.7 | 150.2 | 0 | 0 | 0 | 120 | ||||
| 567 | S | 25.3 | Very low | 24.8 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | -171 | 123.9 | 128.2 | 40.8 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 568 | E | 23 | Very low | 24.8 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | 72.3 | 114.7 | 74.3 | -76.2 | -159.4 | 152.3 | 0 | 0 | 116.8 | |||||
| 569 | H | 24.8 | Very low | 25 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | trans | 26.4 | 126 | 154.3 | -57.7 | -75.5 | 0 | 0 | 0 | 122.1 | ||||
| 570 | A | 23.5 | Very low | 24.4 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | -175.5 | 156.7 | 103.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 571 | V | 24.5 | Very low | 24.5 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | trans | -88.5 | 135.7 | -176.7 | 169.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 572 | T | 23.8 | Very low | 24.5 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | -158.7 | 146 | 138.5 | -13.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 573 | Q | 21.2 | Very low | 24.6 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -101.3 | -178.9 | 167.4 | -101 | -177.5 | -4.5 | 0 | 0 | 109.3 | ||||
| 574 | P | 37.7 | Very low | 24.6 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 69% | 0.688 | 82% | 0.823 | S | S | * | * | cis | -132 | -177.9 | -28.8 | 36.9 | -20.8 | 0 | 0 | 0 | 112.2 | ||||
| 575 | Q | 23.7 | Very low | 24.7 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | -176.9 | 167.1 | 125.2 | -103.8 | 177 | -11.4 | 0 | 0 | 112.9 | |||||
| 576 | L | 25.3 | Very low | 24.7 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 89% | 0.885 | 84% | 0.838 | S | S | * | * | trans | -119.1 | 140.2 | -179.7 | -77.9 | 154.3 | 0 | 0 | 0 | 109.8 | ||||
| 577 | E | 23.6 | Very low | 24.9 | Very low | 203 Ų | 203 | 155.4 Ų | 155.4 | 95% | 0.949 | 84% | 0.843 | S | S | * | * | trans | -164.7 | 153.8 | 144.1 | -117.7 | 171.4 | -157.1 | 0 | 0 | 111.1 | ||||
| 578 | D | 24 | Very low | 24.8 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 84% | 0.84 | 84% | 0.841 | S | S | * | * | trans | -86 | 145.6 | -170.2 | -76.1 | -61.4 | 0 | 0 | 0 | 114.3 | ||||
| 579 | T | 24.8 | Very low | 25.4 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 89% | 0.89 | 84% | 0.844 | S | S | * | * | -163.6 | 155.6 | 126.2 | 4.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 580 | S | 24.6 | Very low | 25.5 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | trans | -71.4 | 149.8 | -177.9 | 56.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 581 | G | 24.8 | Very low | 26.1 | Very low | 77 Ų | 77 | 154.2 Ų | 154.2 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | -178.1 | 109.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 582 | N | 23.3 | Very low | 26.2 | Very low | 161 Ų | 161 | 154.3 Ų | 154.3 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -64.6 | 139.4 | 174.6 | -61.7 | -46.9 | 0 | 0 | 0 | 112.7 | ||||
| 583 | L | 24.7 | Very low | 26.8 | Very low | 151 Ų | 151 | 155 Ų | 155 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | 167.2 | 135.7 | 113.9 | -90.9 | 158.9 | 0 | 0 | 0 | 114.7 | |||||
| 584 | T | 24.3 | Very low | 27.8 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | 7.9 | 123 | 152.7 | 55 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 585 | R | 24.9 | Very low | 28.3 | Very low | 255 Ų | 255 | 155.3 Ų | 155.3 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | trans | -135.9 | 138.5 | 149.8 | -100.9 | -174.7 | 172.2 | -178 | -3 | 112.2 | ||||
| 586 | T | 24 | Very low | 30.1 | Very low | 131 Ų | 131 | 154.2 Ų | 154.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -107.7 | 141.2 | 177.8 | 49 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 587 | R | 26.5 | Very low | 32.7 | Very low | 246 Ų | 246 | 149.4 Ų | 149.4 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | 64.3 | 140.9 | 165.9 | -81.1 | -176.8 | 162.4 | 175.9 | -5.3 | 117.9 | ||||
| 588 | G | 24 | Very low | 35.8 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | 166.3 | 60 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E590 | G588-E590 PolarHBondContact O-N 2.87Š| ||
| 589 | D | 35.8 | Very low | 38.9 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -72.3 | 106.1 | 167.8 | -66.8 | -65.5 | 0 | 0 | 0 | 107.9 | ||||
| 590 | E | 26.7 | Very low | 42.1 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | trans | -120.8 | 140.8 | 162.6 | -70.7 | -152.4 | 145 | 0 | 0 | 110.6 | G588 D592 | G588-E590 PolarHBondContact O-N 2.87Å; E590-D592 PolarHBondContact O-N 2.9Å; E590-D592 VanDerWaalsContact O-N 3.14Å | ||
| 591 | D | 35.1 | Very low | 45.2 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 65% | 0.652 | 64% | 0.64 | S | S | * | * | trans | -93.3 | 73.1 | -156.4 | -177.2 | 24.5 | 0 | 0 | 0 | 111.1 | K593 | D591-K593 VanDerWaalsContact C-N 3.28Å; D591-K593 PolarHBondContact O-N 3.37Å; D591-K593 IonicContact OD1-NZ 2.55Å; D591-K593 IonicContact OD2-NZ 2.87Å; D591-K593 PolarHBondContact OD2-NZ 3.05Å | ||
| 592 | D | 28.3 | Very low | 48.3 | Very low | 140 Ų | 140 | 120 Ų | 120 | 75% | 0.749 | 61% | 0.605 | S | S | * | * | trans | -66.9 | 86.9 | 175.8 | -175.4 | 17.1 | 0 | 0 | 0 | 111.1 | E590 S594 | E590-D592 PolarHBondContact O-N 2.9Å; E590-D592 VanDerWaalsContact O-N 3.14Å; D592-S594 PolarHBondContact O-N 3Å | ||
| 593 | K | 35.9 | Very low | 51.8 | Low | 156 Ų | 156 | 114.1 Ų | 114.1 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | trans | -70.2 | 68.3 | 168.7 | -71.3 | -167.9 | 177.5 | 69.8 | 0 | 110.8 | D591 K595 | D591-K593 VanDerWaalsContact C-N 3.28Å; D591-K593 PolarHBondContact O-N 3.37Å; D591-K593 IonicContact OD1-NZ 2.55Å; D591-K593 IonicContact OD2-NZ 2.87Å; D591-K593 PolarHBondContact OD2-NZ 3.05Å; K593-K595 PolarHBondContact O-N 3.49Å | ||
| 594 | S | 41.4 | Very low | 55.1 | Low | 90 Ų | 90 | 107.2 Ų | 107.2 | 63% | 0.629 | 54% | 0.539 | S | S | * | . | trans | -39.2 | 126 | 160.7 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | D592 K596 | D592-S594 PolarHBondContact O-N 3Å; S594-K596 PolarHBondContact O-N 3.27Å; S594-K596 VanDerWaalsContact O-N 3.14Å | ||
| 595 | K | 49.6 | Very low | 58.6 | Low | 202 Ų | 202 | 107 Ų | 107 | 88% | 0.878 | 53% | 0.529 | S | S | * | . | trans | -56.9 | 122.9 | 177.4 | -72.6 | -179.5 | 178.2 | 178 | 0 | 107.9 | K593 Q597 | K593-K595 PolarHBondContact O-N 3.49Å; K595-Q597 PolarHBondContact O-N 3.42Å | ||
| 596 | K | 60.7 | Low | 62 | Low | 171 Ų | 171 | 95.2 Ų | 95.2 | 74% | 0.743 | 49% | 0.485 | S | S | * | . | trans | -60.6 | 102.6 | 178.5 | -67.3 | -167.8 | 176.2 | -169.8 | 0 | 109.4 | S594 F598 | S594-K596 PolarHBondContact O-N 3.27Å; S594-K596 VanDerWaalsContact O-N 3.14Å; K596-F598 PolarHBondContact O-N 2.72Å | ||
| 597 | Q | 79.8 | Confident | 65.4 | Low | 68 Ų | 68 | 94.3 Ų | 94.3 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -70.2 | -20.9 | -173.9 | -156.4 | -176.4 | 20.8 | 0 | 0 | 111.9 | K595 M883 Y918 N919 | K595-Q597 PolarHBondContact O-N 3.42Å; Q597-M883 HydrophobicContact CB-SD 3.97Å; Q597-M883 PolarHBondContact OE1-SD 2.64Å; Q597-Y918 VanDerWaalsContact CD-CE2 3.47Å; Q597-Y918 HydrophobicContact CG-CD2 4.09Å; Q597-Y918 HydrophobicContact CG-CE2 3.45Å; Q597-Y918 VanDerWaalsContact CG-CE2 3.45Å; Q597-Y918 VanDerWaalsContact NE2-CE2 3.35Å; Q597-Y918 PolarHBondContact NE2-OH 3.17Å; Q597-Y918 CarbonylContact O-C 3.57Å; Q597-Y918 WeakPolarHBondContact O-CA 3.48Å; Q597-N919 PolarHBondContact O-N 2.8Å |
| 598 | F | 88.9 | Confident | 68.8 | Low | 12 Ų | 12 | 86.9 Ų | 86.9 | 5% | 0.053 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.2 | 164.2 | -74 | -98.5 | 0 | 0 | 0 | 110.3 | K596 V885 W897 L902 F904 T917 Y918 | K596-F598 PolarHBondContact O-N 2.72Å; F598-V885 HydrophobicContact CB-CB 4.22Å; F598-V885 HydrophobicContact CD2-CB 3.73Å; F598-V885 HydrophobicContact CD2-CG1 3.5Å; F598-V885 HydrophobicContact CE2-CB 4.37Å; F598-V885 HydrophobicContact CE2-CG1 3.81Å; F598-V885 HydrophobicContact CG-CB 4.1Å; F598-V885 HydrophobicContact CG-CG1 4.37Å; F598-W897 HydrophobicContact CE1-CZ3 4.31Å; F598-W897 HydrophobicContact CZ-CH2 4.28Å; F598-W897 HydrophobicContact CZ-CZ3 4.26Å; F598-L902 HydrophobicContact CE1-CG 4.34Å; F598-L902 WeakPolarHBondContact CE1-O 3.39Å; F598-L902 HydrophobicContact CZ-CD1 4.46Å; F598-L902 HydrophobicContact CZ-CG 4.09Å; F598-F904 HydrophobicContact CB-CE1 4.43Å; F598-F904 AromaticContact CD1-CD1 3.96Å; F598-F904 HydrophobicContact CD1-CD1 3.96Å; F598-F904 AromaticContact CD1-CE1 3.45Å; F598-F904 HydrophobicContact CD1-CE1 3.45Å; F598-F904 VanDerWaalsContact CD1-CE1 3.45Å; F598-F904 HydrophobicContact CD1-CZ 4.43Å; F598-F904 HydrophobicContact CD2-CE1 4.49Å; F598-F904 AromaticContact CE1-CD1 3.86Å; F598-F904 HydrophobicContact CE1-CD1 3.86Å; F598-F904 AromaticContact CE1-CE1 3.71Å; F598-F904 HydrophobicContact CE1-CE1 3.71Å; F598-F904 AromaticContact CG-CE1 3.88Å; F598-F904 HydrophobicContact CG-CE1 3.88Å; F598-F904 HydrophobicContact CZ-CE1 4.34Å; F598-T917 CarbonylContact C-O 3.6Å; F598-T917 WeakPolarHBondContact CA-O 3.48Å; F598-T917 VanDerWaalsContact CD1-C 3.42Å; F598-Y918 HydrophobicContact CD2-CD2 4.42Å; F598-Y918 HydrophobicContact CE1-CD2 4.42Å; F598-Y918 AromaticContact CE2-CD2 3.86Å; F598-Y918 HydrophobicContact CE2-CD2 3.86Å; F598-Y918 AromaticContact CZ-CD2 3.87Å; F598-Y918 HydrophobicContact CZ-CD2 3.87Å |
| 599 | I | 89.6 | Confident | 72.3 | Confident | 31 Ų | 31 | 84.3 Ų | 84.3 | 16% | 0.159 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 148.2 | 179 | 62 | 174 | 0 | 0 | 0 | 111.2 | I601 P642 W916 T917 N919 | I599-I601 HydrophobicContact CD1-CD1 4.03Å; I599-I601 HydrophobicContact CG1-CD1 4.07Å; I599-P642 HydrophobicContact CD1-CB 3.77Å; I599-W916 VanDerWaalsContact O-CA 3.28Å; I599-W916 WeakPolarHBondContact O-CA 3.38Å; I599-T917 HydrophobicContact CD1-CG2 4.17Å; I599-T917 HydrophobicContact CG1-CG2 3.66Å; I599-T917 PolarHBondContact N-O 3.36Å; I599-T917 PolarHBondContact O-N 2.69Å; I599-N919 HydrophobicContact CD1-CB 4.3Å; I599-N919 HydrophobicContact CG1-CB 4.23Å; I599-N919 HydrophobicContact CG2-CB 3.9Å |
| 600 | C | 90.4 | Very high | 75.3 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122 | 176.8 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | T603 P648 T914 W916 | C600-T603 PolarHBondContact SG-OG1 2.7Å; C600-P648 HydrophobicContact CB-CG 4.33Å; C600-P648 VanDerWaalsContact SG-CG 3.52Å; C600-T914 HydrophobicContact CB-CG2 4.2Å; C600-T914 WeakPolarHBondContact SG-CG2 3.24Å; C600-W916 HydrophobicContact CB-CE3 4.06Å; C600-W916 HydrophobicContact CB-CZ3 4Å |
| 601 | I | 89.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -58.5 | -175.8 | -66.8 | -60.1 | 0 | 0 | 0 | 110.6 | I599 P637 I640 Y645 K649 L915 T917 | I599-I601 HydrophobicContact CD1-CD1 4.03Å; I599-I601 HydrophobicContact CG1-CD1 4.07Å; I601-P637 HydrophobicContact CG2-CG 4.02Å; I601-I640 HydrophobicContact CD1-CG2 4.29Å; I601-Y645 HydrophobicContact CB-CD1 4.47Å; I601-Y645 HydrophobicContact CB-CE1 4.29Å; I601-Y645 HydrophobicContact CD1-CD1 3.96Å; I601-Y645 HydrophobicContact CD1-CD2 3.47Å; I601-Y645 VanDerWaalsContact CD1-CD2 3.47Å; I601-Y645 HydrophobicContact CD1-CE1 4.16Å; I601-Y645 HydrophobicContact CD1-CE2 3.74Å; I601-Y645 HydrophobicContact CD1-CG 3.61Å; I601-Y645 HydrophobicContact CG2-CD1 4.3Å; I601-Y645 HydrophobicContact CG2-CE1 3.65Å; I601-Y645 HydrophobicContact CG2-CE2 4.45Å; I601-Y645 WeakPolarHBondContact O-CD1 3.36Å; I601-Y645 WeakPolarHBondContact O-CE1 3.33Å; I601-K649 PolarHBondContact O-N 3.37Å; I601-L915 HydrophobicContact CB-CD2 4.46Å; I601-L915 HydrophobicContact CB-CG 4.38Å; I601-L915 HydrophobicContact CG2-CD2 4.14Å; I601-L915 PolarHBondContact N-O 3.11Å; I601-T917 HydrophobicContact CD1-CG2 3.55Å; I601-T917 HydrophobicContact CG1-CG2 3.42Å; I601-T917 VanDerWaalsContact CG1-CG2 3.42Å |
| 602 | N | 91.7 | Very high | 81.5 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.9 | 179.6 | -70.8 | -26.6 | 0 | 0 | 0 | 110.9 | K649 P651 T914 L915 | N602-K649 CarbonylContact C-O 3.58Å; N602-K649 WeakPolarHBondContact CA-O 3.06Å; N602-P651 HydrophobicContact CB-CB 3.98Å; N602-P651 HydrophobicContact CB-CG 4.29Å; N602-T914 WeakPolarHBondContact O-CA 3.33Å; N602-L915 HydrophobicContact CB-CB 4.14Å; N602-L915 PolarHBondContact O-N 3.25Å |
| 603 | T | 95 | Very high | 84.8 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.2 | 168.5 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | C600 P648 K649 P651 T912 V913 | C600-T603 PolarHBondContact SG-OG1 2.7Å; T603-P648 WeakPolarHBondContact OG1-CB 3.45Å; T603-K649 PolarHBondContact N-O 3.12Å; T603-P651 WeakPolarHBondContact O-CD 3.22Å; T603-T912 HydrophobicContact CG2-CG2 3.92Å; T603-V913 WeakPolarHBondContact CA-O 3.49Å |
| 604 | L | 95.9 | Very high | 87.8 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.9 | 173 | -179.5 | 68.6 | 0 | 0 | 0 | 109.1 | V624 R632 P651 V653 T912 V913 | L604-V624 HydrophobicContact CD2-CB 4.24Å; L604-V624 HydrophobicContact CD2-CG1 4.02Å; L604-V624 HydrophobicContact CD2-CG2 3.95Å; L604-R632 VanDerWaalsContact CD1-NH1 3.33Å; L604-P651 HydrophobicContact CB-CG 3.8Å; L604-P651 HydrophobicContact CD1-CG 4.08Å; L604-P651 HydrophobicContact CG-CG 4.45Å; L604-V653 HydrophobicContact CD1-CG2 4.11Å; L604-T912 CarbonylContact O-C 3.52Å; L604-T912 VanDerWaalsContact O-CA 3.22Å; L604-T912 WeakPolarHBondContact O-CA 3.42Å; L604-V913 HydrophobicContact CB-CB 4.39Å; L604-V913 PolarHBondContact N-O 3.21Å; L604-V913 PolarHBondContact O-N 3.24Å |
| 605 | E | 96.5 | Very high | 90.4 | Very high | 118 Ų | 118 | 47.2 Ų | 47.2 | 55% | 0.551 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146.7 | 173.3 | -164.3 | 174.1 | 173 | 0 | 0 | 112 | R632 | E605-R632 PolarHBondContact O-NH1 3.19Å; E605-R632 PolarHBondContact O-NH2 3.18Å |
| 606 | D | 96.8 | Very high | 92.7 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | trans | -127.6 | 165.6 | 173.2 | -160.1 | -70.9 | 0 | 0 | 0 | 110.5 | Q608 V610 S626 S628 R632 R911 | D606-Q608 PolarHBondContact O-N 2.81Å; D606-Q608 PolarHBondContact OD1-N 2.81Å; D606-V610 HydrophobicContact CB-CG2 3.71Å; D606-S626 VanDerWaalsContact CG-OG 3.3Å; D606-S626 PolarHBondContact OD1-OG 3.29Å; D606-S626 PolarHBondContact OD2-OG 2.79Å; D606-S628 WeakPolarHBondContact OD1-CB 3.41Å; D606-S628 PolarHBondContact OD1-OG 2.96Å; D606-S628 PolarHBondContact OD2-OG 3.35Å; D606-R632 VanDerWaalsContact CG-NH2 3.29Å; D606-R632 IonicContact OD2-CZ 3.21Å; D606-R632 IonicContact OD2-NE 2.58Å; D606-R632 IonicContact OD2-NH2 2.65Å; D606-R632 PolarHBondContact OD2-NH2 3.32Å; D606-R911 PolarHBondContact N-O 3.39Å; D606-R911 WeakPolarHBondContact O-CB 3.17Å | ||
| 607 | T | 96 | Very high | 94.3 | Very high | 111 Ų | 111 | 32.3 Ų | 32.3 | 68% | 0.681 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -73.9 | -13.9 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | S628 | T607-S628 WeakPolarHBondContact OG1-CB 3.49Š|
| 608 | Q | 97.5 | Very high | 94.9 | Very high | 91 Ų | 91 | 31.8 Ų | 31.8 | 43% | 0.425 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -142 | 165.4 | 177.3 | -55.9 | -172.6 | 23.3 | 0 | 0 | 111.3 | D606 V610 N627 | D606-Q608 PolarHBondContact O-N 2.81Å; D606-Q608 PolarHBondContact OD1-N 2.81Å; Q608-V610 PolarHBondContact O-N 2.82Å; Q608-N627 HydrophobicContact CB-CB 3.74Å; Q608-N627 PolarHBondContact OE1-O 3.23Å |
| 609 | A | 97.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | trans | -44.7 | 136.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N627 A909 | A609-N627 WeakPolarHBondContact O-CB 3.35Å; A609-N627 PolarHBondContact O-N 3.42Å; A609-A909 HydrophobicContact CB-CB 4.49Å; A609-A909 WeakPolarHBondContact CB-O 3.42Å | ||
| 610 | V | 97.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.9 | -178.1 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | D606 Q608 V624 G625 S907 S908 R911 V913 | D606-V610 HydrophobicContact CB-CG2 3.71Å; Q608-V610 PolarHBondContact O-N 2.82Å; V610-V624 HydrophobicContact CG1-CG1 3.4Å; V610-G625 WeakPolarHBondContact CG1-O 3.4Å; V610-S907 WeakPolarHBondContact O-CB 3.46Å; V610-S908 PolarHBondContact N-O 3.48Å; V610-S908 VanDerWaalsContact N-O 3.14Å; V610-S908 PolarHBondContact O-N 2.87Å; V610-R911 WeakPolarHBondContact CG2-O 3.5Å; V610-V913 HydrophobicContact CB-CG2 3.94Å; V610-V913 HydrophobicContact CG1-CG2 3.43Å; V610-V913 VanDerWaalsContact CG1-CG2 3.43Å |
| 611 | R | 95.4 | Very high | 95.6 | Very high | 48 Ų | 48 | 31.8 Ų | 31.8 | 18% | 0.181 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -44.1 | -170.9 | -63.5 | -168 | 170.6 | -79.3 | 5.6 | 112.5 | G625 N627 Y666 I893 Q894 S907 | R611-G625 PolarHBondContact N-O 3.33Å; R611-G625 VanDerWaalsContact N-O 3.15Å; R611-N627 WeakPolarHBondContact CD-OD1 3.37Å; R611-N627 PolarHBondContact NE-OD1 2.73Å; R611-Y666 PolarHBondContact NH2-OH 2.89Å; R611-I893 HydrophobicContact CB-CG2 4.2Å; R611-I893 HydrophobicContact CG-CD1 4.13Å; R611-I893 HydrophobicContact CG-CG2 4.49Å; R611-Q894 WeakPolarHBondContact O-CG 3.46Å; R611-S907 PolarHBondContact O-OG 3.37Å |
| 612 | A | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.3 | -160 | 0 | 0 | 0 | 0 | 0 | 111.8 | V624 G625 I665 V668 | A612-V624 WeakPolarHBondContact O-CA 3.38Å; A612-G625 PolarHBondContact N-O 3.23Å; A612-G625 VanDerWaalsContact N-O 3.11Å; A612-G625 PolarHBondContact O-N 3.23Å; A612-I665 HydrophobicContact CB-CG2 4.36Å; A612-V668 HydrophobicContact CB-CB 4.29Å; A612-V668 HydrophobicContact CB-CG1 3.8Å; A612-V668 HydrophobicContact CB-CG2 3.94Å |
| 613 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140.7 | 174.7 | -74.1 | 0 | 0 | 0 | 0 | 111.7 | A623 V624 Q894 R896 V913 | V613-A623 WeakPolarHBondContact CA-O 3.32Å; V613-V624 HydrophobicContact CG1-CG2 4.35Å; V613-Q894 HydrophobicContact CG2-CB 3.9Å; V613-Q894 PolarHBondContact O-OE1 3.49Å; V613-R896 HydrophobicContact CG2-CG 4.02Å; V613-R896 VanDerWaalsContact O-CG 3.32Å; V613-R896 WeakPolarHBondContact O-CG 3.49Å; V613-R896 PolarHBondContact O-NE 2.83Å; V613-V913 HydrophobicContact CG1-CB 4.45Å; V613-V913 HydrophobicContact CG1-CG1 3.9Å; V613-V913 HydrophobicContact CG1-CG2 3.61Å |
| 614 | A | 97.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 128.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y622 A623 V668 W670 | A614-Y622 CarbonylContact O-C 3.59Å; A614-Y622 WeakPolarHBondContact O-CA 3.33Å; A614-A623 PolarHBondContact N-O 3.39Å; A614-A623 PolarHBondContact O-N 2.91Å; A614-V668 HydrophobicContact CB-CG2 3.93Å; A614-W670 PolarHBondContact O-NE1 3.44Å; A614-W670 VanDerWaalsContact O-NE1 3.14Å |
| 615 | F | 97.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 8% | 0.083 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 142.1 | 166.1 | -76.7 | -79.2 | 0 | 0 | 0 | 110.7 | Y636 W670 R896 W897 H898 L905 L915 | F615-Y636 AromaticContact CE1-CD2 3.8Å; F615-Y636 HydrophobicContact CE1-CD2 3.8Å; F615-Y636 HydrophobicContact CE1-CE2 4.04Å; F615-Y636 HydrophobicContact CZ-CD2 4.5Å; F615-Y636 HydrophobicContact CZ-CE2 4.36Å; F615-W670 VanDerWaalsContact C-CD1 3.49Å; F615-R896 HydrophobicContact CD2-CB 4.26Å; F615-W897 WeakPolarHBondContact CD2-O 3.32Å; F615-W897 WeakPolarHBondContact CE2-O 3.44Å; F615-H898 AromaticContact CD1-CD2 3.52Å; F615-H898 HydrophobicContact CE1-CB 4.27Å; F615-H898 AromaticContact CE1-CD2 3.44Å; F615-H898 VanDerWaalsContact CE1-CD2 3.44Å; F615-H898 WeakPolarHBondContact CE1-CD2 3.5Å; F615-H898 HydrophobicContact CE2-CB 4.02Å; F615-H898 HydrophobicContact CZ-CB 3.83Å; F615-H898 AromaticContact CZ-CD2 3.92Å; F615-L905 HydrophobicContact CD1-CD1 4.13Å; F615-L905 HydrophobicContact CD2-CD1 3.89Å; F615-L905 HydrophobicContact CE1-CD1 3.78Å; F615-L905 HydrophobicContact CE1-CG 4.22Å; F615-L905 HydrophobicContact CE2-CB 4.12Å; F615-L905 HydrophobicContact CE2-CD1 3.53Å; F615-L905 HydrophobicContact CE2-CG 3.68Å; F615-L905 HydrophobicContact CG-CD1 4.2Å; F615-L905 HydrophobicContact CZ-CB 4.42Å; F615-L905 HydrophobicContact CZ-CD1 3.49Å; F615-L905 VanDerWaalsContact CZ-CD1 3.49Å; F615-L905 HydrophobicContact CZ-CG 3.53Å; F615-L915 HydrophobicContact CZ-CD1 4.22Å |
| 616 | H | 96.8 | Very high | 96.6 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 6% | 0.06 | 14% | 0.139 | C | C | . | . | trans | -67.6 | 147.9 | 165 | -178 | -97.3 | 0 | 0 | 0 | 109.1 | S618 G619 L621 W670 G674 | H616-S618 PolarHBondContact CE1-OG 3.33Å; H616-S618 PolarHBondContact ND1-N 3.34Å; H616-S618 PolarHBondContact ND1-OG 3.28Å; H616-S618 PolarHBondContact O-N 3.18Å; H616-S618 VanDerWaalsContact O-N 3.12Å; H616-G619 PolarHBondContact O-N 2.94Å; H616-L621 HydrophobicContact CB-CB 3.84Å; H616-L621 VanDerWaalsContact CB-O 3.3Å; H616-L621 WeakPolarHBondContact CB-O 3.32Å; H616-L621 PolarHBondContact N-O 2.79Å; H616-W670 HydrophobicContact CB-CD2 4.35Å; H616-W670 HydrophobicContact CB-CZ2 4.3Å; H616-W670 AromaticContact CD2-CD2 3.85Å; H616-W670 AromaticContact CD2-CE3 3.61Å; H616-W670 AromaticContact CD2-CZ3 3.69Å; H616-G674 WeakPolarHBondContact NE2-CA 3.36Å; H616-G674 PolarHBondContact NE2-O 3.13Å | ||
| 617 | P | 93.7 | Very high | 96.6 | Very high | 46 Ų | 46 | 24.2 Ų | 24.2 | 30% | 0.299 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.5 | -175.1 | -29.2 | 36.6 | 0 | 0 | 0 | 114.9 | G619 W670 S671 P672 T899 | P617-G619 PolarHBondContact O-N 2.85Å; P617-W670 HydrophobicContact CG-CB 4.48Å; P617-S671 WeakPolarHBondContact CG-O 3.26Å; P617-P672 VanDerWaalsContact CB-O 3.31Å; P617-P672 WeakPolarHBondContact CB-O 3.19Å; P617-P672 VanDerWaalsContact CG-O 3.23Å; P617-P672 WeakPolarHBondContact CG-O 3.34Å; P617-T899 PolarHBondContact O-OG1 2.81Å |
| 618 | S | 93.1 | Very high | 96.7 | Very high | 57 Ų | 57 | 20 Ų | 20 | 40% | 0.399 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -2.8 | 174.8 | 69.2 | 0 | 0 | 0 | 0 | 115.1 | H616 S620 | H616-S618 PolarHBondContact CE1-OG 3.33Å; H616-S618 PolarHBondContact ND1-N 3.34Å; H616-S618 PolarHBondContact ND1-OG 3.28Å; H616-S618 PolarHBondContact O-N 3.18Å; H616-S618 VanDerWaalsContact O-N 3.12Å; S618-S620 PolarHBondContact O-N 3Å; S618-S620 PolarHBondContact OG-OG 3.38Å |
| 619 | G | 93.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 75.7 | -40.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H616 P617 L621 H898 T899 | H616-G619 PolarHBondContact O-N 2.94Å; P617-G619 PolarHBondContact O-N 2.85Å; G619-L621 PolarHBondContact O-N 3.28Å; G619-H898 VanDerWaalsContact C-NE2 3.34Å; G619-H898 WeakPolarHBondContact CA-NE2 3.45Å; G619-H898 PolarHBondContact O-NE2 2.96Å; G619-T899 WeakPolarHBondContact CA-OG1 3.13Å |
| 620 | S | 93.7 | Very high | 96.7 | Very high | 63 Ų | 63 | 19.2 Ų | 19.2 | 44% | 0.441 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -57.3 | -13.7 | -172.8 | 57.4 | 0 | 0 | 0 | 0 | 117.1 | S618 Y636 | S618-S620 PolarHBondContact O-N 3Å; S618-S620 PolarHBondContact OG-OG 3.38Å; S620-Y636 PolarHBondContact O-N 2.88Å |
| 621 | L | 96.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 4% | 0.037 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.6 | 177.6 | -62.9 | 178.2 | 0 | 0 | 0 | 111.2 | H616 G619 V633 C634 A635 R654 F691 A693 | H616-L621 HydrophobicContact CB-CB 3.84Å; H616-L621 VanDerWaalsContact CB-O 3.3Å; H616-L621 WeakPolarHBondContact CB-O 3.32Å; H616-L621 PolarHBondContact N-O 2.79Å; G619-L621 PolarHBondContact O-N 3.28Å; L621-V633 HydrophobicContact CB-CG1 3.96Å; L621-V633 HydrophobicContact CD1-CG1 4.27Å; L621-V633 HydrophobicContact CD2-CG1 4.46Å; L621-V633 HydrophobicContact CG-CG1 4.48Å; L621-C634 CarbonylContact C-O 3.53Å; L621-C634 WeakPolarHBondContact CA-O 3.27Å; L621-A635 HydrophobicContact CD2-CB 4.33Å; L621-R654 HydrophobicContact CD2-CG 4.33Å; L621-F691 HydrophobicContact CD1-CE1 4.01Å; L621-A693 HydrophobicContact CD1-CB 3.81Å |
| 622 | Y | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 139.2 | 168.6 | 63.8 | -84.9 | 0 | 0 | 0 | 113.1 | A614 V624 V633 C634 P651 L905 V913 | A614-Y622 CarbonylContact O-C 3.59Å; A614-Y622 WeakPolarHBondContact O-CA 3.33Å; Y622-V624 HydrophobicContact CD2-CG2 3.75Å; Y622-V624 HydrophobicContact CE2-CG2 3.84Å; Y622-V633 CarbonylContact O-C 3.55Å; Y622-V633 WeakPolarHBondContact O-CA 3.24Å; Y622-C634 HydrophobicContact CD1-CB 4.02Å; Y622-C634 HydrophobicContact CD2-CB 4.13Å; Y622-C634 HydrophobicContact CE1-CB 3.57Å; Y622-C634 HydrophobicContact CE2-CB 3.73Å; Y622-C634 HydrophobicContact CG-CB 4.29Å; Y622-C634 VanDerWaalsContact CZ-CB 3.44Å; Y622-C634 PolarHBondContact N-O 3.13Å; Y622-C634 PolarHBondContact O-N 3.07Å; Y622-P651 VanDerWaalsContact OH-CB 3.22Å; Y622-P651 WeakPolarHBondContact OH-CB 3.36Å; Y622-P651 WeakPolarHBondContact OH-CG 3.45Å; Y622-L905 HydrophobicContact CD1-CD1 4.26Å; Y622-L905 HydrophobicContact CD2-CD1 3.46Å; Y622-L905 VanDerWaalsContact CD2-CD1 3.46Å; Y622-L905 HydrophobicContact CD2-CD2 3.92Å; Y622-L905 HydrophobicContact CD2-CG 4.37Å; Y622-L905 HydrophobicContact CE1-CD2 4.49Å; Y622-L905 HydrophobicContact CE2-CD1 4.12Å; Y622-L905 HydrophobicContact CE2-CD2 3.67Å; Y622-L905 HydrophobicContact CG-CD1 3.52Å; Y622-L905 HydrophobicContact CG-CD2 4.4Å; Y622-V913 HydrophobicContact CE2-CG1 4.26Å |
| 623 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 146 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V613 A614 R632 V668 W670 L677 | V613-A623 WeakPolarHBondContact CA-O 3.32Å; A614-A623 PolarHBondContact N-O 3.39Å; A614-A623 PolarHBondContact O-N 2.91Å; A623-R632 CarbonylContact C-O 3.58Å; A623-R632 WeakPolarHBondContact CA-O 3.42Å; A623-V668 HydrophobicContact CB-CG2 4.26Å; A623-W670 HydrophobicContact CB-CZ2 3.86Å; A623-L677 HydrophobicContact CB-CD1 3.78Å; A623-L677 HydrophobicContact CB-CD2 4.16Å |
| 624 | V | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.1 | -179.7 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | L604 V610 A612 V613 Y622 R632 V913 | L604-V624 HydrophobicContact CD2-CB 4.24Å; L604-V624 HydrophobicContact CD2-CG1 4.02Å; L604-V624 HydrophobicContact CD2-CG2 3.95Å; V610-V624 HydrophobicContact CG1-CG1 3.4Å; A612-V624 WeakPolarHBondContact O-CA 3.38Å; V613-V624 HydrophobicContact CG1-CG2 4.35Å; Y622-V624 HydrophobicContact CD2-CG2 3.75Å; Y622-V624 HydrophobicContact CE2-CG2 3.84Å; V624-R632 HydrophobicContact CB-CB 4.46Å; V624-R632 PolarHBondContact N-O 2.99Å; V624-R632 PolarHBondContact O-N 3.39Å; V624-V913 HydrophobicContact CG1-CG2 3.94Å; V624-V913 HydrophobicContact CG2-CG1 4.45Å |
| 625 | G | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V610 R611 A612 | V610-G625 WeakPolarHBondContact CG1-O 3.4Å; R611-G625 PolarHBondContact N-O 3.33Å; R611-G625 VanDerWaalsContact N-O 3.15Å; A612-G625 PolarHBondContact N-O 3.23Å; A612-G625 VanDerWaalsContact N-O 3.11Å; A612-G625 PolarHBondContact O-N 3.23Å |
| 626 | S | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 163.3 | -174.9 | 66.7 | 0 | 0 | 0 | 0 | 114.5 | D606 S628 K629 T630 I665 | D606-S626 VanDerWaalsContact CG-OG 3.3Å; D606-S626 PolarHBondContact OD1-OG 3.29Å; D606-S626 PolarHBondContact OD2-OG 2.79Å; S626-S628 PolarHBondContact O-N 3.36Å; S626-S628 PolarHBondContact OG-OG 2.82Å; S626-K629 PolarHBondContact O-N 3.38Å; S626-K629 VanDerWaalsContact O-N 3.16Å; S626-T630 PolarHBondContact N-O 2.6Å; S626-T630 PolarHBondContact OG-O 3.32Å; S626-I665 PolarHBondContact O-N 3.26Å |
| 627 | N | 98.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 18.9 Ų | 18.9 | 11% | 0.107 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.2 | 173.3 | -75.8 | -12.4 | 0 | 0 | 0 | 113 | Q608 A609 R611 K629 S664 | Q608-N627 HydrophobicContact CB-CB 3.74Å; Q608-N627 PolarHBondContact OE1-O 3.23Å; A609-N627 WeakPolarHBondContact O-CB 3.35Å; A609-N627 PolarHBondContact O-N 3.42Å; R611-N627 WeakPolarHBondContact CD-OD1 3.37Å; R611-N627 PolarHBondContact NE-OD1 2.73Å; N627-K629 PolarHBondContact O-N 2.87Å; N627-S664 PolarHBondContact O-OG 3.19Å; N627-S664 WeakPolarHBondContact OD1-CB 3.47Å |
| 628 | S | 97.3 | Very high | 95.1 | Very high | 22 Ų | 22 | 25.1 Ų | 25.1 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 9.2 | 172.2 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | D606 T607 S626 T630 | D606-S628 WeakPolarHBondContact OD1-CB 3.41Å; D606-S628 PolarHBondContact OD1-OG 2.96Å; D606-S628 PolarHBondContact OD2-OG 3.35Å; T607-S628 WeakPolarHBondContact OG1-CB 3.49Å; S626-S628 PolarHBondContact O-N 3.36Å; S626-S628 PolarHBondContact OG-OG 2.82Å; S628-T630 PolarHBondContact O-N 3.16Å; S628-T630 PolarHBondContact O-OG1 3.2Å; S628-T630 PolarHBondContact OG-OG1 2.95Å |
| 629 | K | 97.3 | Very high | 94.1 | Very high | 83 Ų | 83 | 27.8 Ų | 27.8 | 36% | 0.361 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 65.6 | 24 | 178.5 | -33.3 | -171.5 | -179 | -178.6 | 0 | 112.3 | S626 N627 K659 H660 K662 G663 | S626-K629 PolarHBondContact O-N 3.38Å; S626-K629 VanDerWaalsContact O-N 3.16Å; N627-K629 PolarHBondContact O-N 2.87Å; K629-K659 CarbonylContact O-C 3.59Å; K629-K659 WeakPolarHBondContact O-CA 3.43Å; K629-K659 PolarHBondContact O-N 3.45Å; K629-K659 VanDerWaalsContact O-N 3.09Å; K629-H660 PolarHBondContact O-N 3.06Å; K629-K662 WeakPolarHBondContact CD-O 3.42Å; K629-K662 WeakPolarHBondContact CE-O 3.38Å; K629-K662 PolarHBondContact NZ-O 3.32Å; K629-G663 WeakPolarHBondContact CB-O 3.35Å; K629-G663 WeakPolarHBondContact CG-O 3.42Å |
| 630 | T | 97.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 30 Ų | 30 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | trans | -103.6 | 125.7 | -176.2 | -53.5 | 0 | 0 | 0 | 0 | 109.4 | S626 S628 R632 K656 R657 | S626-T630 PolarHBondContact N-O 2.6Å; S626-T630 PolarHBondContact OG-O 3.32Å; S628-T630 PolarHBondContact O-N 3.16Å; S628-T630 PolarHBondContact O-OG1 3.2Å; S628-T630 PolarHBondContact OG-OG1 2.95Å; T630-R632 HydrophobicContact CG2-CG 3.88Å; T630-K656 HydrophobicContact CG2-CG 4.14Å; T630-R657 WeakPolarHBondContact CA-O 3.35Å | ||
| 631 | L | 98 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132.5 | 164.5 | -179.8 | 61.6 | 0 | 0 | 0 | 108.4 | F655 K656 R657 H660 I665 V668 L677 T679 L689 | L631-F655 HydrophobicContact CD2-CE1 4.36Å; L631-K656 WeakPolarHBondContact O-CA 3.26Å; L631-R657 HydrophobicContact CB-CB 4.5Å; L631-R657 PolarHBondContact N-O 3.11Å; L631-R657 PolarHBondContact O-N 3.25Å; L631-H660 HydrophobicContact CB-CB 4.13Å; L631-I665 HydrophobicContact CB-CD1 4.09Å; L631-V668 HydrophobicContact CD1-CG1 4.41Å; L631-L677 HydrophobicContact CD1-CD2 4.25Å; L631-L677 HydrophobicContact CD2-CD2 3.92Å; L631-L677 HydrophobicContact CG-CD2 4.45Å; L631-T679 HydrophobicContact CD1-CG2 3.92Å; L631-T679 HydrophobicContact CD2-CG2 4Å; L631-L689 HydrophobicContact CD2-CD2 4.31Å |
| 632 | R | 97.8 | Very high | 90 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 11% | 0.113 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147.7 | 170.4 | -48.5 | -169.5 | -158.6 | 178.7 | 12.1 | 109.7 | L604 E605 D606 A623 V624 T630 V653 F655 K656 | L604-R632 VanDerWaalsContact CD1-NH1 3.33Å; E605-R632 PolarHBondContact O-NH1 3.19Å; E605-R632 PolarHBondContact O-NH2 3.18Å; D606-R632 VanDerWaalsContact CG-NH2 3.29Å; D606-R632 IonicContact OD2-CZ 3.21Å; D606-R632 IonicContact OD2-NE 2.58Å; D606-R632 IonicContact OD2-NH2 2.65Å; D606-R632 PolarHBondContact OD2-NH2 3.32Å; A623-R632 CarbonylContact C-O 3.58Å; A623-R632 WeakPolarHBondContact CA-O 3.42Å; V624-R632 HydrophobicContact CB-CB 4.46Å; V624-R632 PolarHBondContact N-O 2.99Å; V624-R632 PolarHBondContact O-N 3.39Å; T630-R632 HydrophobicContact CG2-CG 3.88Å; R632-V653 HydrophobicContact CB-CG1 4.25Å; R632-F655 CarbonylContact C-O 3.58Å; R632-F655 VanDerWaalsContact CA-O 3.3Å; R632-F655 WeakPolarHBondContact CA-O 3.49Å; R632-K656 HydrophobicContact CG-CG 4.35Å |
| 633 | V | 97.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.8 | 161.9 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | L621 Y622 R654 F655 W670 L677 F691 | L621-V633 HydrophobicContact CB-CG1 3.96Å; L621-V633 HydrophobicContact CD1-CG1 4.27Å; L621-V633 HydrophobicContact CD2-CG1 4.46Å; L621-V633 HydrophobicContact CG-CG1 4.48Å; Y622-V633 CarbonylContact O-C 3.55Å; Y622-V633 WeakPolarHBondContact O-CA 3.24Å; V633-R654 PolarHBondContact O-N 3.15Å; V633-F655 HydrophobicContact CB-CB 3.92Å; V633-F655 HydrophobicContact CG2-CB 4.12Å; V633-F655 HydrophobicContact CG2-CD1 4.17Å; V633-F655 PolarHBondContact N-O 3.41Å; V633-F655 PolarHBondContact O-N 2.7Å; V633-F655 VanDerWaalsContact O-N 3.07Å; V633-W670 HydrophobicContact CG1-CH2 4.37Å; V633-W670 HydrophobicContact CG1-CZ2 4.06Å; V633-W670 HydrophobicContact CG2-CH2 4.21Å; V633-W670 HydrophobicContact CG2-CZ2 4.15Å; V633-L677 HydrophobicContact CG2-CD2 3.96Å; V633-F691 HydrophobicContact CB-CZ 4.29Å; V633-F691 HydrophobicContact CG1-CZ 4.25Å; V633-F691 HydrophobicContact CG2-CE2 4.16Å; V633-F691 HydrophobicContact CG2-CZ 4.1Å |
| 634 | C | 97 | Very high | 86 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 150.6 | -178.9 | -65 | 0 | 0 | 0 | 0 | 110.1 | L621 Y622 P651 V652 | L621-C634 CarbonylContact C-O 3.53Å; L621-C634 WeakPolarHBondContact CA-O 3.27Å; Y622-C634 HydrophobicContact CD1-CB 4.02Å; Y622-C634 HydrophobicContact CD2-CB 4.13Å; Y622-C634 HydrophobicContact CE1-CB 3.57Å; Y622-C634 HydrophobicContact CE2-CB 3.73Å; Y622-C634 HydrophobicContact CG-CB 4.29Å; Y622-C634 VanDerWaalsContact CZ-CB 3.44Å; Y622-C634 PolarHBondContact N-O 3.13Å; Y622-C634 PolarHBondContact O-N 3.07Å; C634-P651 HydrophobicContact CB-CB 4.35Å; C634-V652 WeakPolarHBondContact CA-O 3.41Å |
| 635 | A | 94.9 | Very high | 84.1 | Confident | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 141.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L621 V652 R654 | L621-A635 HydrophobicContact CD2-CB 4.33Å; A635-V652 HydrophobicContact CB-CB 4.43Å; A635-V652 PolarHBondContact N-O 3.3Å; A635-R654 HydrophobicContact CB-CG 3.94Å |
| 636 | Y | 93.7 | Very high | 82.1 | Confident | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 147.8 | 162.8 | -170.6 | -106.4 | 0 | 0 | 0 | 109.6 | F615 S620 E638 I640 H898 D901 S903 L915 | F615-Y636 AromaticContact CE1-CD2 3.8Å; F615-Y636 HydrophobicContact CE1-CD2 3.8Å; F615-Y636 HydrophobicContact CE1-CE2 4.04Å; F615-Y636 HydrophobicContact CZ-CD2 4.5Å; F615-Y636 HydrophobicContact CZ-CE2 4.36Å; S620-Y636 PolarHBondContact O-N 2.88Å; Y636-E638 PolarHBondContact O-N 3.14Å; Y636-I640 HydrophobicContact CE1-CD1 4.06Å; Y636-I640 WeakPolarHBondContact OH-CD1 3.4Å; Y636-H898 AromaticContact CE1-CE1 3.5Å; Y636-H898 AromaticContact CE1-ND1 3.94Å; Y636-H898 AromaticContact CZ-CE1 3.54Å; Y636-H898 AromaticContact CZ-ND1 3.51Å; Y636-H898 PolarHBondContact OH-ND1 2.79Å; Y636-D901 VanDerWaalsContact CE1-OD2 3.23Å; Y636-D901 WeakPolarHBondContact CE1-OD2 3.48Å; Y636-D901 PolarHBondContact OH-OD2 2.85Å; Y636-S903 WeakPolarHBondContact OH-CB 3.24Å; Y636-S903 PolarHBondContact OH-OG 3.04Å; Y636-L915 HydrophobicContact CD2-CD1 4.31Å; Y636-L915 HydrophobicContact CD2-CD2 3.91Å; Y636-L915 HydrophobicContact CE2-CD1 3.86Å; Y636-L915 HydrophobicContact CE2-CD2 3.92Å |
| 637 | P | 87.9 | Confident | 80.7 | Confident | 22 Ų | 22 | 52 Ų | 52 | 14% | 0.143 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 124.4 | 176.1 | -19.2 | 33.2 | 0 | 0 | 0 | 111.8 | I601 V639 I640 L915 | I601-P637 HydrophobicContact CG2-CG 4.02Å; P637-V639 PolarHBondContact O-N 3.49Å; P637-I640 HydrophobicContact CB-CG1 4.28Å; P637-L915 HydrophobicContact CG-CD2 4.04Å |
| 638 | E | 74.3 | Confident | 79.8 | Confident | 178 Ų | 178 | 54.6 Ų | 54.6 | 83% | 0.832 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -68.1 | -23.3 | 175 | -67.6 | 165.6 | -153.8 | 0 | 0 | 112.8 | Y636 | Y636-E638 PolarHBondContact O-N 3.14Š|
| 639 | V | 71.6 | Confident | 79.3 | Confident | 113 Ų | 113 | 57.7 Ų | 57.7 | 69% | 0.685 | 32% | 0.324 | S | S | * | . | trans | -130.7 | 119.5 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 109 | P637 | P637-V639 PolarHBondContact O-N 3.49Š| ||
| 640 | I | 72.1 | Confident | 78.8 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | trans | -102.7 | 103.3 | 170.9 | -58.6 | 175.8 | 0 | 0 | 0 | 107 | I601 Y636 P637 P642 T917 | I601-I640 HydrophobicContact CD1-CG2 4.29Å; Y636-I640 HydrophobicContact CE1-CD1 4.06Å; Y636-I640 WeakPolarHBondContact OH-CD1 3.4Å; P637-I640 HydrophobicContact CB-CG1 4.28Å; I640-P642 WeakPolarHBondContact O-CD 3.25Å; I640-T917 HydrophobicContact CG2-CG2 3.79Å | ||
| 641 | D | 63.6 | Low | 78.5 | Confident | 72 Ų | 72 | 61.3 Ų | 61.3 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | trans | -104.2 | 101 | 169.6 | 170 | 5 | 0 | 0 | 0 | 108.5 | S643 A644 Y645 | D641-S643 PolarHBondContact O-N 3.42Å; D641-S643 VanDerWaalsContact O-N 3.12Å; D641-S643 WeakPolarHBondContact OD1-CB 3.06Å; D641-S643 PolarHBondContact OD1-N 3.07Å; D641-S643 PolarHBondContact OD1-OG 3.29Å; D641-S643 PolarHBondContact OD2-OG 3.31Å; D641-A644 HydrophobicContact CB-CB 4.17Å; D641-A644 PolarHBondContact O-N 3.23Å; D641-A644 VanDerWaalsContact O-N 3.07Å; D641-A644 WeakPolarHBondContact OD2-CB 3.27Å; D641-Y645 WeakPolarHBondContact O-CD2 3.15Å; D641-Y645 VanDerWaalsContact O-CE2 3.26Å; D641-Y645 WeakPolarHBondContact O-CE2 3.23Å | ||
| 642 | P | 61.7 | Low | 78.3 | Confident | 48 Ų | 48 | 65.6 Ų | 65.6 | 31% | 0.312 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -57.1 | -26.9 | -178.2 | -26.6 | 36.1 | 0 | 0 | 0 | 114.1 | I599 I640 A644 N919 | I599-P642 HydrophobicContact CD1-CB 3.77Å; I640-P642 WeakPolarHBondContact O-CD 3.25Å; P642-A644 VanDerWaalsContact C-N 3.27Å; P642-A644 PolarHBondContact O-N 3.35Å; P642-N919 WeakPolarHBondContact CB-OD1 3.48Å |
| 643 | S | 57.6 | Low | 78.2 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 67% | 0.671 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -72.6 | -20 | -179.6 | 79.5 | 0 | 0 | 0 | 0 | 113.3 | D641 | D641-S643 PolarHBondContact O-N 3.42Å; D641-S643 VanDerWaalsContact O-N 3.12Å; D641-S643 WeakPolarHBondContact OD1-CB 3.06Å; D641-S643 PolarHBondContact OD1-N 3.07Å; D641-S643 PolarHBondContact OD1-OG 3.29Å; D641-S643 PolarHBondContact OD2-OG 3.31Å |
| 644 | A | 53.2 | Low | 78.1 | Confident | 46 Ų | 46 | 73 Ų | 73 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -93.1 | 12 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | D641 P642 K649 | D641-A644 HydrophobicContact CB-CB 4.17Å; D641-A644 PolarHBondContact O-N 3.23Å; D641-A644 VanDerWaalsContact O-N 3.07Å; D641-A644 WeakPolarHBondContact OD2-CB 3.27Å; P642-A644 VanDerWaalsContact C-N 3.27Å; P642-A644 PolarHBondContact O-N 3.35Å; A644-K649 PolarHBondContact O-NZ 3.24Å |
| 645 | Y | 59.1 | Low | 78.1 | Confident | 41 Ų | 41 | 74 Ų | 74 | 16% | 0.161 | 41% | 0.407 | C | S | . | . | trans | -119.5 | 56.7 | -176.1 | -67.3 | -90.5 | 0 | 0 | 0 | 113.9 | I601 D641 A647 K649 | I601-Y645 HydrophobicContact CB-CD1 4.47Å; I601-Y645 HydrophobicContact CB-CE1 4.29Å; I601-Y645 HydrophobicContact CD1-CD1 3.96Å; I601-Y645 HydrophobicContact CD1-CD2 3.47Å; I601-Y645 VanDerWaalsContact CD1-CD2 3.47Å; I601-Y645 HydrophobicContact CD1-CE1 4.16Å; I601-Y645 HydrophobicContact CD1-CE2 3.74Å; I601-Y645 HydrophobicContact CD1-CG 3.61Å; I601-Y645 HydrophobicContact CG2-CD1 4.3Å; I601-Y645 HydrophobicContact CG2-CE1 3.65Å; I601-Y645 HydrophobicContact CG2-CE2 4.45Å; I601-Y645 WeakPolarHBondContact O-CD1 3.36Å; I601-Y645 WeakPolarHBondContact O-CE1 3.33Å; D641-Y645 WeakPolarHBondContact O-CD2 3.15Å; D641-Y645 VanDerWaalsContact O-CE2 3.26Å; D641-Y645 WeakPolarHBondContact O-CE2 3.23Å; Y645-A647 PolarHBondContact O-N 2.95Å; Y645-K649 HydrophobicContact CD1-CD 4.14Å; Y645-K649 HydrophobicContact CD1-CG 4.36Å; Y645-K649 HydrophobicContact CE1-CD 3.56Å; Y645-K649 HydrophobicContact CE1-CG 4.08Å; Y645-K649 VanDerWaalsContact CZ-NZ 3.35Å | ||
| 646 | N | 56.8 | Low | 78.1 | Confident | 169 Ų | 169 | 79 Ų | 79 | 90% | 0.904 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -65.6 | -14.1 | 164.4 | -73.5 | -40.8 | 0 | 0 | 0 | 113.4 | ||
| 647 | A | 66.6 | Low | 78.2 | Confident | 63 Ų | 63 | 81.7 Ų | 81.7 | 52% | 0.521 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -149.1 | 146.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y645 | Y645-A647 PolarHBondContact O-N 2.95Š|
| 648 | P | 79.6 | Confident | 78.6 | Confident | 74 Ų | 74 | 85.7 Ų | 85.7 | 48% | 0.481 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 139.2 | 175.4 | -21 | 33.6 | 0 | 0 | 0 | 112 | C600 T603 | C600-P648 HydrophobicContact CB-CG 4.33Å; C600-P648 VanDerWaalsContact SG-CG 3.52Å; T603-P648 WeakPolarHBondContact OG1-CB 3.45Å |
| 649 | K | 86.4 | Confident | 79.6 | Confident | 88 Ų | 88 | 85.8 Ų | 85.8 | 38% | 0.383 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -96.3 | 156.2 | 177.8 | -62.6 | 172.4 | -168.3 | 142.4 | 0 | 110.1 | I601 N602 T603 A644 Y645 | I601-K649 PolarHBondContact O-N 3.37Å; N602-K649 CarbonylContact C-O 3.58Å; N602-K649 WeakPolarHBondContact CA-O 3.06Å; T603-K649 PolarHBondContact N-O 3.12Å; A644-K649 PolarHBondContact O-NZ 3.24Å; Y645-K649 HydrophobicContact CD1-CD 4.14Å; Y645-K649 HydrophobicContact CD1-CG 4.36Å; Y645-K649 HydrophobicContact CE1-CD 3.56Å; Y645-K649 HydrophobicContact CE1-CG 4.08Å; Y645-K649 VanDerWaalsContact CZ-NZ 3.35Å |
| 650 | Q | 87.4 | Confident | 80.7 | Confident | 159 Ų | 159 | 80.6 Ų | 80.6 | 74% | 0.743 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 132.1 | 167.4 | -72.5 | -162.4 | 4.6 | 0 | 0 | 109.3 | ||
| 651 | P | 91.9 | Very high | 81.9 | Confident | 10 Ų | 10 | 78.5 Ų | 78.5 | 7% | 0.065 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 150 | 179.9 | 29.2 | -32.6 | 0 | 0 | 0 | 111.5 | N602 T603 L604 Y622 C634 V653 | N602-P651 HydrophobicContact CB-CB 3.98Å; N602-P651 HydrophobicContact CB-CG 4.29Å; T603-P651 WeakPolarHBondContact O-CD 3.22Å; L604-P651 HydrophobicContact CB-CG 3.8Å; L604-P651 HydrophobicContact CD1-CG 4.08Å; L604-P651 HydrophobicContact CG-CG 4.45Å; Y622-P651 VanDerWaalsContact OH-CB 3.22Å; Y622-P651 WeakPolarHBondContact OH-CB 3.36Å; Y622-P651 WeakPolarHBondContact OH-CG 3.45Å; C634-P651 HydrophobicContact CB-CB 4.35Å; P651-V653 PolarHBondContact O-N 3.02Å |
| 652 | V | 93.1 | Very high | 83.5 | Confident | 89 Ų | 89 | 82.3 Ų | 82.3 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | trans | -71.1 | 102.5 | 178.7 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | C634 A635 R654 | C634-V652 WeakPolarHBondContact CA-O 3.41Å; A635-V652 HydrophobicContact CB-CB 4.43Å; A635-V652 PolarHBondContact N-O 3.3Å; V652-R654 PolarHBondContact O-N 3.45Å | ||
| 653 | V | 95.7 | Very high | 85.2 | Confident | 55 Ų | 55 | 80.3 Ų | 80.3 | 33% | 0.333 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 112.5 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | L604 R632 P651 F655 K656 | L604-V653 HydrophobicContact CD1-CG2 4.11Å; R632-V653 HydrophobicContact CB-CG1 4.25Å; P651-V653 PolarHBondContact O-N 3.02Å; V653-F655 VanDerWaalsContact CG1-O 3.27Å; V653-F655 WeakPolarHBondContact CG1-O 3.33Å; V653-K656 HydrophobicContact CG1-CB 4.07Å |
| 654 | R | 95.8 | Very high | 87.1 | Confident | 132 Ų | 132 | 76.7 Ų | 76.7 | 50% | 0.498 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -37.7 | 179.4 | -61.8 | -70.5 | -170.5 | 153.7 | 6.9 | 112 | L621 V633 A635 V652 C696 | L621-R654 HydrophobicContact CD2-CG 4.33Å; V633-R654 PolarHBondContact O-N 3.15Å; A635-R654 HydrophobicContact CB-CG 3.94Å; V652-R654 PolarHBondContact O-N 3.45Å; R654-C696 HydrophobicContact CB-CB 3.72Å |
| 655 | F | 96.8 | Very high | 89.2 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.9 | 176.1 | -177.1 | -100.3 | 0 | 0 | 0 | 110.8 | L631 R632 V633 V653 R657 L689 F691 N697 A698 | L631-F655 HydrophobicContact CD2-CE1 4.36Å; R632-F655 CarbonylContact C-O 3.58Å; R632-F655 VanDerWaalsContact CA-O 3.3Å; R632-F655 WeakPolarHBondContact CA-O 3.49Å; V633-F655 HydrophobicContact CB-CB 3.92Å; V633-F655 HydrophobicContact CG2-CB 4.12Å; V633-F655 HydrophobicContact CG2-CD1 4.17Å; V633-F655 PolarHBondContact N-O 3.41Å; V633-F655 PolarHBondContact O-N 2.7Å; V633-F655 VanDerWaalsContact O-N 3.07Å; V653-F655 VanDerWaalsContact CG1-O 3.27Å; V653-F655 WeakPolarHBondContact CG1-O 3.33Å; F655-R657 HydrophobicContact CE1-CB 3.84Å; F655-R657 HydrophobicContact CZ-CB 4.09Å; F655-L689 HydrophobicContact CE1-CD2 3.93Å; F655-L689 HydrophobicContact CZ-CD2 3.9Å; F655-F691 HydrophobicContact CB-CE2 4.08Å; F655-F691 HydrophobicContact CB-CZ 4.46Å; F655-F691 HydrophobicContact CD1-CE2 4.4Å; F655-F691 HydrophobicContact CD2-CE2 4.18Å; F655-F691 AromaticContact CG-CE2 3.98Å; F655-F691 HydrophobicContact CG-CE2 3.98Å; F655-N697 WeakPolarHBondContact CE2-OD1 3.16Å; F655-A698 HydrophobicContact CE2-CB 4.42Å |
| 656 | K | 96.4 | Very high | 91.1 | Very high | 115 Ų | 115 | 74.7 Ų | 74.7 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 125.1 | 174.9 | 178.3 | 171.4 | 173.3 | 177.6 | 0 | 111.4 | T630 L631 R632 V653 N658 | T630-K656 HydrophobicContact CG2-CG 4.14Å; L631-K656 WeakPolarHBondContact O-CA 3.26Å; R632-K656 HydrophobicContact CG-CG 4.35Å; V653-K656 HydrophobicContact CG1-CB 4.07Å; K656-N658 WeakPolarHBondContact CE-OD1 3.47Å |
| 657 | R | 95.7 | Very high | 93 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 104.3 | 176 | -169.9 | 165.5 | 175.8 | 167.6 | -6.7 | 109.9 | T630 L631 F655 H660 D702 | T630-R657 WeakPolarHBondContact CA-O 3.35Å; L631-R657 HydrophobicContact CB-CB 4.5Å; L631-R657 PolarHBondContact N-O 3.11Å; L631-R657 PolarHBondContact O-N 3.25Å; F655-R657 HydrophobicContact CE1-CB 3.84Å; F655-R657 HydrophobicContact CZ-CB 4.09Å; R657-H660 HydrophobicContact CB-CB 4.49Å; R657-H660 WeakPolarHBondContact CD-CE1 3.38Å; R657-H660 HydrophobicContact CG-CB 4.15Å; R657-H660 PolarHBondContact NE-CE1 2.83Å; R657-H660 PolarHBondContact NE-ND1 3.41Å; R657-H660 PolarHBondContact NH2-CE1 3.25Å; R657-D702 IonicContact CZ-OD1 3.82Å; R657-D702 IonicContact CZ-OD2 2.89Å; R657-D702 IonicContact NE-OD2 3.24Å; R657-D702 IonicContact NH1-OD1 2.73Å; R657-D702 PolarHBondContact NH1-OD1 2.75Å; R657-D702 IonicContact NH1-OD2 3.47Å; R657-D702 PolarHBondContact NH1-OD2 3.22Å; R657-D702 IonicContact NH2-OD1 3.15Å; R657-D702 PolarHBondContact NH2-OD1 2.89Å; R657-D702 IonicContact NH2-OD2 3.52Å; R657-D702 PolarHBondContact NH2-OD2 2.99Å |
| 658 | N | 95.5 | Very high | 94.5 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 148.3 | 173.1 | -56 | -39.2 | 0 | 0 | 0 | 109.6 | K656 H660 | K656-N658 WeakPolarHBondContact CE-OD1 3.47Å; N658-H660 PolarHBondContact O-N 2.76Å |
| 659 | K | 94.3 | Very high | 95.4 | Very high | 181 Ų | 181 | 60.7 Ų | 60.7 | 79% | 0.787 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 37.9 | 179.8 | -53.9 | -179.8 | -179.1 | 178.8 | 0 | 113 | K629 H661 | K629-K659 CarbonylContact O-C 3.59Å; K629-K659 WeakPolarHBondContact O-CA 3.43Å; K629-K659 PolarHBondContact O-N 3.45Å; K629-K659 VanDerWaalsContact O-N 3.09Å; K659-H661 VanDerWaalsContact C-N 3.26Å; K659-H661 PolarHBondContact O-N 3.32Å |
| 660 | H | 96.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | trans | -61.8 | -39.2 | -179.7 | -177.6 | 45 | 0 | 0 | 0 | 111.5 | K629 L631 R657 N658 T679 K687 D702 | K629-H660 PolarHBondContact O-N 3.06Å; L631-H660 HydrophobicContact CB-CB 4.13Å; R657-H660 HydrophobicContact CB-CB 4.49Å; R657-H660 WeakPolarHBondContact CD-CE1 3.38Å; R657-H660 HydrophobicContact CG-CB 4.15Å; R657-H660 PolarHBondContact NE-CE1 2.83Å; R657-H660 PolarHBondContact NE-ND1 3.41Å; R657-H660 PolarHBondContact NH2-CE1 3.25Å; N658-H660 PolarHBondContact O-N 2.76Å; H660-T679 PolarHBondContact CD2-OG1 2.86Å; H660-K687 WeakPolarHBondContact O-CE 3.34Å; H660-K687 PolarHBondContact O-NZ 3.26Å; H660-D702 IonicContact CE1-OD2 2.76Å; H660-D702 PolarHBondContact CE1-OD2 2.87Å; H660-D702 VanDerWaalsContact CE1-OD2 3.26Å; H660-D702 IonicContact ND1-OD2 3.06Å; H660-D702 IonicContact NE2-OD2 3.41Å; H660-D702 PolarHBondContact NE2-OD2 2.73Å | ||
| 661 | H | 97.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -110.4 | 159.7 | 169.8 | -84.4 | -92 | 0 | 0 | 0 | 111.4 | K659 G663 T679 S681 D683 Y685 | K659-H661 VanDerWaalsContact C-N 3.26Å; K659-H661 PolarHBondContact O-N 3.32Å; H661-G663 WeakPolarHBondContact CB-O 3.38Å; H661-T679 PolarHBondContact NE2-O 3.32Å; H661-T679 PolarHBondContact NE2-OG1 2.87Å; H661-S681 VanDerWaalsContact CG-CB 3.5Å; H661-S681 WeakPolarHBondContact ND1-CB 3.41Å; H661-D683 VanDerWaalsContact CB-OD2 3.27Å; H661-D683 WeakPolarHBondContact CB-OD2 3.5Å; H661-D683 IonicContact CE1-OD1 3.58Å; H661-D683 IonicContact CG-OD2 3.76Å; H661-D683 IonicContact ND1-OD1 3.32Å; H661-D683 PolarHBondContact ND1-OD1 3.27Å; H661-D683 VanDerWaalsContact ND1-OD1 3.12Å; H661-D683 IonicContact ND1-OD2 3.77Å; H661-D683 PolarHBondContact ND1-OD2 2.82Å; H661-D683 VanDerWaalsContact ND1-OD2 3.16Å; H661-Y685 PolarHBondContact CE1-O 3Å; H661-Y685 VanDerWaalsContact CE1-O 3.28Å |
| 662 | K | 96.2 | Very high | 96.1 | Very high | 151 Ų | 151 | 52.4 Ų | 52.4 | 66% | 0.657 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -71.1 | -25.7 | 164.1 | -63.2 | 169.9 | -176.8 | 164.6 | 0 | 110.3 | K629 D683 | K629-K662 WeakPolarHBondContact CD-O 3.42Å; K629-K662 WeakPolarHBondContact CE-O 3.38Å; K629-K662 PolarHBondContact NZ-O 3.32Å; K662-D683 WeakPolarHBondContact CA-OD2 3.19Å; K662-D683 HydrophobicContact CB-CB 3.92Å; K662-D683 WeakPolarHBondContact CB-OD2 3.48Å; K662-D683 PolarHBondContact N-OD2 2.95Å |
| 663 | G | 96.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -108.2 | -176.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K629 H661 S681 N682 D683 | K629-G663 WeakPolarHBondContact CB-O 3.35Å; K629-G663 WeakPolarHBondContact CG-O 3.42Å; H661-G663 WeakPolarHBondContact CB-O 3.38Å; G663-S681 VanDerWaalsContact C-OG 3.25Å; G663-S681 WeakPolarHBondContact CA-OG 3.29Å; G663-N682 WeakPolarHBondContact CA-OD1 3.5Å; G663-D683 PolarHBondContact N-OD2 3.49Å |
| 664 | S | 98 | Very high | 95.7 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | trans | -71.6 | 142.1 | 170.8 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | N627 S681 N682 | N627-S664 PolarHBondContact O-OG 3.19Å; N627-S664 WeakPolarHBondContact OD1-CB 3.47Å; S664-S681 VanDerWaalsContact O-CA 3.26Å; S664-S681 WeakPolarHBondContact O-CA 3.17Å; S664-S681 VanDerWaalsContact O-CB 3.26Å; S664-S681 WeakPolarHBondContact O-CB 3.33Å; S664-S681 PolarHBondContact O-OG 3.24Å; S664-N682 PolarHBondContact N-OD1 2.88Å; S664-N682 PolarHBondContact O-N 2.91Å; S664-N682 PolarHBondContact O-OD1 3.21Å | ||
| 665 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.7 | 174.4 | -53.9 | 177.6 | 0 | 0 | 0 | 108.8 | A612 S626 L631 V668 | A612-I665 HydrophobicContact CB-CG2 4.36Å; S626-I665 PolarHBondContact O-N 3.26Å; L631-I665 HydrophobicContact CB-CD1 4.09Å; I665-V668 HydrophobicContact CG2-CG1 3.77Å |
| 666 | Y | 97.9 | Very high | 95.5 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -33 | -177.8 | -92.5 | -98 | 0 | 0 | 0 | 113.1 | R611 G680 N682 T711 I712 | R611-Y666 PolarHBondContact NH2-OH 2.89Å; Y666-G680 PolarHBondContact N-O 2.96Å; Y666-N682 HydrophobicContact CD2-CB 4.11Å; Y666-N682 HydrophobicContact CE2-CB 3.79Å; Y666-T711 HydrophobicContact CD1-CG2 4.29Å; Y666-T711 HydrophobicContact CD2-CG2 4.01Å; Y666-T711 HydrophobicContact CE1-CG2 4.5Å; Y666-T711 HydrophobicContact CE2-CG2 4.23Å; Y666-T711 HydrophobicContact CG-CG2 4.05Å; Y666-I712 VanDerWaalsContact CB-O 3.32Å; Y666-I712 WeakPolarHBondContact CB-O 3.31Å |
| 667 | C | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 149.9 | -178.9 | 44.3 | 0 | 0 | 0 | 0 | 111 | T679 G680 R713 L715 | C667-T679 WeakPolarHBondContact O-CA 3.38Å; C667-G680 PolarHBondContact N-O 3.45Å; C667-G680 PolarHBondContact O-N 3.23Å; C667-R713 WeakPolarHBondContact CB-O 3.4Å; C667-L715 HydrophobicContact CB-CG 4.41Å |
| 668 | V | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.8 | 173.4 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | A612 A614 A623 L631 I665 A678 T679 | A612-V668 HydrophobicContact CB-CB 4.29Å; A612-V668 HydrophobicContact CB-CG1 3.8Å; A612-V668 HydrophobicContact CB-CG2 3.94Å; A614-V668 HydrophobicContact CB-CG2 3.93Å; A623-V668 HydrophobicContact CB-CG2 4.26Å; L631-V668 HydrophobicContact CD1-CG1 4.41Å; I665-V668 HydrophobicContact CG2-CG1 3.77Å; V668-A678 CarbonylContact C-O 3.52Å; V668-A678 VanDerWaalsContact CA-O 3.27Å; V668-A678 WeakPolarHBondContact CA-O 3.15Å; V668-T679 HydrophobicContact CG1-CG2 3.83Å |
| 669 | A | 97.6 | Very high | 95.7 | Very high | 11 Ų | 11 | 35 Ų | 35 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 149.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | A678 L715 F717 | A669-A678 PolarHBondContact N-O 3.27Å; A669-A678 PolarHBondContact O-N 3.13Å; A669-L715 HydrophobicContact CB-CB 3.9Å; A669-F717 HydrophobicContact CB-CD2 4.05Å; A669-F717 HydrophobicContact CB-CE2 4.41Å |
| 670 | W | 96.1 | Very high | 95.9 | Very high | 21 Ų | 21 | 26.4 Ų | 26.4 | 8% | 0.08 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.3 | 172.1 | -66.7 | 97.1 | 0 | 0 | 0 | 110.2 | A614 F615 H616 P617 A623 V633 L676 L677 F691 F717 | A614-W670 PolarHBondContact O-NE1 3.44Å; A614-W670 VanDerWaalsContact O-NE1 3.14Å; F615-W670 VanDerWaalsContact C-CD1 3.49Å; H616-W670 HydrophobicContact CB-CD2 4.35Å; H616-W670 HydrophobicContact CB-CZ2 4.3Å; H616-W670 AromaticContact CD2-CD2 3.85Å; H616-W670 AromaticContact CD2-CE3 3.61Å; H616-W670 AromaticContact CD2-CZ3 3.69Å; P617-W670 HydrophobicContact CG-CB 4.48Å; A623-W670 HydrophobicContact CB-CZ2 3.86Å; V633-W670 HydrophobicContact CG1-CH2 4.37Å; V633-W670 HydrophobicContact CG1-CZ2 4.06Å; V633-W670 HydrophobicContact CG2-CH2 4.21Å; V633-W670 HydrophobicContact CG2-CZ2 4.15Å; W670-L676 WeakPolarHBondContact CA-O 3.42Å; W670-L677 HydrophobicContact CD2-CB 4.38Å; W670-L677 HydrophobicContact CD2-CD1 3.99Å; W670-L677 HydrophobicContact CE3-CB 3.81Å; W670-L677 HydrophobicContact CE3-CD1 4.3Å; W670-L677 HydrophobicContact CG-CD1 4.47Å; W670-L677 HydrophobicContact CH2-CB 4.14Å; W670-L677 HydrophobicContact CH2-CD2 3.82Å; W670-L677 HydrophobicContact CH2-CG 4.38Å; W670-L677 HydrophobicContact CZ2-CD1 4.2Å; W670-L677 HydrophobicContact CZ2-CD2 3.97Å; W670-L677 HydrophobicContact CZ3-CB 3.69Å; W670-L677 HydrophobicContact CZ3-CD2 4.25Å; W670-L677 HydrophobicContact CZ3-CG 4.38Å; W670-F691 AromaticContact CH2-CD1 3.51Å; W670-F691 HydrophobicContact CH2-CD1 3.51Å; W670-F691 AromaticContact CH2-CE1 3.63Å; W670-F691 HydrophobicContact CH2-CE1 3.63Å; W670-F691 HydrophobicContact CH2-CG 4.04Å; W670-F691 HydrophobicContact CH2-CZ 4.26Å; W670-F691 HydrophobicContact CZ3-CB 4.12Å; W670-F691 AromaticContact CZ3-CD1 3.51Å; W670-F691 HydrophobicContact CZ3-CD1 3.51Å; W670-F691 HydrophobicContact CZ3-CE1 4.1Å; W670-F691 AromaticContact CZ3-CG 3.94Å; W670-F691 HydrophobicContact CZ3-CG 3.94Å; W670-F717 VanDerWaalsContact O-CD2 3.3Å; W670-F717 WeakPolarHBondContact O-CD2 3.4Å |
| 671 | S | 93.9 | Very high | 96 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -61.3 | 147.7 | 163.9 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | P617 C673 G674 Q675 L676 F717 | P617-S671 WeakPolarHBondContact CG-O 3.26Å; S671-C673 PolarHBondContact O-N 2.93Å; S671-C673 VanDerWaalsContact O-N 3.16Å; S671-C673 PolarHBondContact OG-SG 3.31Å; S671-G674 WeakPolarHBondContact O-CA 3.34Å; S671-G674 PolarHBondContact O-N 2.99Å; S671-G674 PolarHBondContact OG-N 3.37Å; S671-Q675 PolarHBondContact OG-N 3.22Å; S671-L676 PolarHBondContact N-O 2.85Å; S671-L676 PolarHBondContact OG-N 3.39Å; S671-L676 PolarHBondContact OG-O 2.82Å; S671-F717 VanDerWaalsContact N-CD2 3.29Å | ||
| 672 | P | 89.5 | Confident | 96 | Very high | 62 Ų | 62 | 29.3 Ų | 29.3 | 40% | 0.403 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.3 | 179.3 | -28.5 | 38 | 0 | 0 | 0 | 114.7 | P617 G674 E719 | P617-P672 VanDerWaalsContact CB-O 3.31Å; P617-P672 WeakPolarHBondContact CB-O 3.19Å; P617-P672 VanDerWaalsContact CG-O 3.23Å; P617-P672 WeakPolarHBondContact CG-O 3.34Å; P672-G674 VanDerWaalsContact C-N 3.26Å; P672-G674 PolarHBondContact O-N 3.01Å; P672-E719 HydrophobicContact CB-CG 4.18Å; P672-E719 HydrophobicContact CG-CG 4Å |
| 673 | C | 89.3 | Confident | 96 | Very high | 65 Ų | 65 | 23.3 Ų | 23.3 | 44% | 0.439 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -2 | 172 | 66.8 | 0 | 0 | 0 | 0 | 115.1 | S671 Q675 | S671-C673 PolarHBondContact O-N 2.93Å; S671-C673 VanDerWaalsContact O-N 3.16Å; S671-C673 PolarHBondContact OG-SG 3.31Å; C673-Q675 PolarHBondContact O-N 3.02Å; C673-Q675 VanDerWaalsContact O-N 3.16Å |
| 674 | G | 91.9 | Very high | 96 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 76.3 | -15.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | H616 S671 P672 L676 | H616-G674 WeakPolarHBondContact NE2-CA 3.36Å; H616-G674 PolarHBondContact NE2-O 3.13Å; S671-G674 WeakPolarHBondContact O-CA 3.34Å; S671-G674 PolarHBondContact O-N 2.99Å; S671-G674 PolarHBondContact OG-N 3.37Å; P672-G674 VanDerWaalsContact C-N 3.26Å; P672-G674 PolarHBondContact O-N 3.01Å; G674-L676 VanDerWaalsContact C-N 3.34Å; G674-L676 PolarHBondContact O-N 3.47Å |
| 675 | Q | 92.7 | Very high | 95.9 | Very high | 132 Ų | 132 | 30.3 Ų | 30.3 | 62% | 0.617 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -75.5 | -13.7 | -168.7 | -61.7 | -179 | 2.3 | 0 | 0 | 115.5 | S671 C673 F691 | S671-Q675 PolarHBondContact OG-N 3.22Å; C673-Q675 PolarHBondContact O-N 3.02Å; C673-Q675 VanDerWaalsContact O-N 3.16Å; Q675-F691 WeakPolarHBondContact CA-O 3.09Å; Q675-F691 PolarHBondContact O-N 3.25Å |
| 676 | L | 94.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 15% | 0.152 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.1 | 178 | -56 | 176.6 | 0 | 0 | 0 | 111.3 | W670 S671 G674 V688 P690 F717 A726 C743 | W670-L676 WeakPolarHBondContact CA-O 3.42Å; S671-L676 PolarHBondContact N-O 2.85Å; S671-L676 PolarHBondContact OG-N 3.39Å; S671-L676 PolarHBondContact OG-O 2.82Å; G674-L676 VanDerWaalsContact C-N 3.34Å; G674-L676 PolarHBondContact O-N 3.47Å; L676-V688 HydrophobicContact CB-CG1 3.87Å; L676-V688 HydrophobicContact CD1-CG1 4.21Å; L676-V688 HydrophobicContact CD2-CG1 4.19Å; L676-V688 HydrophobicContact CG-CG1 4.32Å; L676-P690 HydrophobicContact CD2-CB 4.44Å; L676-P690 HydrophobicContact CD2-CG 4.46Å; L676-F717 HydrophobicContact CB-CE1 4.47Å; L676-F717 HydrophobicContact CB-CZ 3.97Å; L676-F717 HydrophobicContact CD1-CE1 4.24Å; L676-F717 HydrophobicContact CD1-CZ 4.48Å; L676-A726 HydrophobicContact CD1-CB 3.8Å; L676-C743 HydrophobicContact CD1-CB 3.74Å |
| 677 | L | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 110.7 | 171.7 | 174.4 | 52.4 | 0 | 0 | 0 | 109.6 | A623 L631 V633 W670 T679 L689 | A623-L677 HydrophobicContact CB-CD1 3.78Å; A623-L677 HydrophobicContact CB-CD2 4.16Å; L631-L677 HydrophobicContact CD1-CD2 4.25Å; L631-L677 HydrophobicContact CD2-CD2 3.92Å; L631-L677 HydrophobicContact CG-CD2 4.45Å; V633-L677 HydrophobicContact CG2-CD2 3.96Å; W670-L677 HydrophobicContact CD2-CB 4.38Å; W670-L677 HydrophobicContact CD2-CD1 3.99Å; W670-L677 HydrophobicContact CE3-CB 3.81Å; W670-L677 HydrophobicContact CE3-CD1 4.3Å; W670-L677 HydrophobicContact CG-CD1 4.47Å; W670-L677 HydrophobicContact CH2-CB 4.14Å; W670-L677 HydrophobicContact CH2-CD2 3.82Å; W670-L677 HydrophobicContact CH2-CG 4.38Å; W670-L677 HydrophobicContact CZ2-CD1 4.2Å; W670-L677 HydrophobicContact CZ2-CD2 3.97Å; W670-L677 HydrophobicContact CZ3-CB 3.69Å; W670-L677 HydrophobicContact CZ3-CD2 4.25Å; W670-L677 HydrophobicContact CZ3-CG 4.38Å; L677-T679 HydrophobicContact CG-CG2 4.48Å; L677-L689 HydrophobicContact CB-CB 4.42Å; L677-L689 PolarHBondContact N-O 3.45Å; L677-L689 PolarHBondContact O-N 2.97Å |
| 678 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V668 A669 K687 V688 L715 F717 L728 | V668-A678 CarbonylContact C-O 3.52Å; V668-A678 VanDerWaalsContact CA-O 3.27Å; V668-A678 WeakPolarHBondContact CA-O 3.15Å; A669-A678 PolarHBondContact N-O 3.27Å; A669-A678 PolarHBondContact O-N 3.13Å; A678-K687 CarbonylContact C-O 3.56Å; A678-K687 VanDerWaalsContact CA-O 3.24Å; A678-K687 WeakPolarHBondContact CA-O 3.31Å; A678-V688 HydrophobicContact CB-CG2 4.1Å; A678-L715 HydrophobicContact CB-CD1 3.97Å; A678-F717 HydrophobicContact CB-CE2 3.46Å; A678-F717 VanDerWaalsContact CB-CE2 3.46Å; A678-F717 HydrophobicContact CB-CZ 3.69Å; A678-L728 HydrophobicContact CB-CD1 3.79Å; A678-L728 HydrophobicContact CB-CD2 3.87Å |
| 679 | T | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 135.3 | 176.9 | 65.8 | 0 | 0 | 0 | 0 | 111 | L631 H660 H661 C667 V668 L677 V686 K687 | L631-T679 HydrophobicContact CD1-CG2 3.92Å; L631-T679 HydrophobicContact CD2-CG2 4Å; H660-T679 PolarHBondContact CD2-OG1 2.86Å; H661-T679 PolarHBondContact NE2-O 3.32Å; H661-T679 PolarHBondContact NE2-OG1 2.87Å; C667-T679 WeakPolarHBondContact O-CA 3.38Å; V668-T679 HydrophobicContact CG1-CG2 3.83Å; L677-T679 HydrophobicContact CG-CG2 4.48Å; T679-V686 WeakPolarHBondContact O-CA 3.37Å; T679-K687 PolarHBondContact N-O 3.13Å; T679-K687 PolarHBondContact O-N 2.86Å |
| 680 | G | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y666 C667 | Y666-G680 PolarHBondContact N-O 2.96Å; C667-G680 PolarHBondContact N-O 3.45Å; C667-G680 PolarHBondContact O-N 3.23Å |
| 681 | S | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 164.7 | -169.3 | -177.3 | 0 | 0 | 0 | 0 | 114.1 | H661 G663 S664 D683 K684 Y685 I712 | H661-S681 VanDerWaalsContact CG-CB 3.5Å; H661-S681 WeakPolarHBondContact ND1-CB 3.41Å; G663-S681 VanDerWaalsContact C-OG 3.25Å; G663-S681 WeakPolarHBondContact CA-OG 3.29Å; S664-S681 VanDerWaalsContact O-CA 3.26Å; S664-S681 WeakPolarHBondContact O-CA 3.17Å; S664-S681 VanDerWaalsContact O-CB 3.26Å; S664-S681 WeakPolarHBondContact O-CB 3.33Å; S664-S681 PolarHBondContact O-OG 3.24Å; S681-D683 VanDerWaalsContact CB-OD1 3.31Å; S681-D683 WeakPolarHBondContact CB-OD1 3.3Å; S681-D683 PolarHBondContact O-N 3.34Å; S681-D683 PolarHBondContact OG-N 3.31Å; S681-D683 PolarHBondContact OG-OD1 3.06Å; S681-K684 PolarHBondContact O-N 3.43Å; S681-Y685 PolarHBondContact N-O 2.62Å; S681-I712 PolarHBondContact O-N 3.1Å |
| 682 | N | 97.1 | Very high | 95.4 | Very high | 67 Ų | 67 | 31.1 Ų | 31.1 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 4 | 167.7 | 74.5 | -28.3 | 0 | 0 | 0 | 114.3 | G663 S664 Y666 T711 | G663-N682 WeakPolarHBondContact CA-OD1 3.5Å; S664-N682 PolarHBondContact N-OD1 2.88Å; S664-N682 PolarHBondContact O-N 2.91Å; S664-N682 PolarHBondContact O-OD1 3.21Å; Y666-N682 HydrophobicContact CD2-CB 4.11Å; Y666-N682 HydrophobicContact CE2-CB 3.79Å; N682-T711 HydrophobicContact CB-CG2 3.71Å; N682-T711 VanDerWaalsContact CB-OG1 3.31Å; N682-T711 WeakPolarHBondContact CB-OG1 3.47Å |
| 683 | D | 96.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 29.6 Ų | 29.6 | 14% | 0.139 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 3.2 | 164.3 | 65.4 | 16.4 | 0 | 0 | 0 | 114.3 | H661 K662 G663 S681 Y685 | H661-D683 VanDerWaalsContact CB-OD2 3.27Å; H661-D683 WeakPolarHBondContact CB-OD2 3.5Å; H661-D683 IonicContact CE1-OD1 3.58Å; H661-D683 IonicContact CG-OD2 3.76Å; H661-D683 IonicContact ND1-OD1 3.32Å; H661-D683 PolarHBondContact ND1-OD1 3.27Å; H661-D683 VanDerWaalsContact ND1-OD1 3.12Å; H661-D683 IonicContact ND1-OD2 3.77Å; H661-D683 PolarHBondContact ND1-OD2 2.82Å; H661-D683 VanDerWaalsContact ND1-OD2 3.16Å; K662-D683 WeakPolarHBondContact CA-OD2 3.19Å; K662-D683 HydrophobicContact CB-CB 3.92Å; K662-D683 WeakPolarHBondContact CB-OD2 3.48Å; K662-D683 PolarHBondContact N-OD2 2.95Å; G663-D683 PolarHBondContact N-OD2 3.49Å; S681-D683 VanDerWaalsContact CB-OD1 3.31Å; S681-D683 WeakPolarHBondContact CB-OD1 3.3Å; S681-D683 PolarHBondContact O-N 3.34Å; S681-D683 PolarHBondContact OG-N 3.31Å; S681-D683 PolarHBondContact OG-OD1 3.06Å; D683-Y685 VanDerWaalsContact C-N 3.29Å; D683-Y685 HydrophobicContact CB-CD2 4.46Å; D683-Y685 WeakPolarHBondContact O-CD2 3.31Å; D683-Y685 WeakPolarHBondContact O-CE2 3.26Å; D683-Y685 WeakPolarHBondContact OD1-CB 3.37Å; D683-Y685 PolarHBondContact OD1-N 3.43Å |
| 684 | K | 96.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 34.7 Ų | 34.7 | 44% | 0.435 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 77 | -0.7 | -178.5 | -41.2 | 179.4 | 179.9 | -159.5 | 0 | 115.8 | S681 D709 G710 | S681-K684 PolarHBondContact O-N 3.43Å; K684-D709 VanDerWaalsContact CD-O 3.26Å; K684-D709 WeakPolarHBondContact CD-O 3.49Å; K684-D709 WeakPolarHBondContact CE-O 3.47Å; K684-D709 PolarHBondContact NZ-O 3.04Å; K684-G710 VanDerWaalsContact CA-O 3.3Å; K684-G710 WeakPolarHBondContact CA-O 3.49Å; K684-G710 WeakPolarHBondContact CG-O 3.13Å |
| 685 | Y | 96.3 | Very high | 95.6 | Very high | 72 Ų | 72 | 39 Ų | 39 | 28% | 0.282 | 20% | 0.197 | S | C | . | . | trans | -93.9 | 142.4 | 178.1 | -66 | -103 | 0 | 0 | 0 | 111.1 | H661 S681 D683 E704 F705 | H661-Y685 PolarHBondContact CE1-O 3Å; H661-Y685 VanDerWaalsContact CE1-O 3.28Å; S681-Y685 PolarHBondContact N-O 2.62Å; D683-Y685 VanDerWaalsContact C-N 3.29Å; D683-Y685 HydrophobicContact CB-CD2 4.46Å; D683-Y685 WeakPolarHBondContact O-CD2 3.31Å; D683-Y685 WeakPolarHBondContact O-CE2 3.26Å; D683-Y685 WeakPolarHBondContact OD1-CB 3.37Å; D683-Y685 PolarHBondContact OD1-N 3.43Å; Y685-E704 HydrophobicContact CD1-CB 4.38Å; Y685-F705 WeakPolarHBondContact CA-O 3.36Å | ||
| 686 | V | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.9 | 156.5 | -177.3 | 0 | 0 | 0 | 0 | 106.8 | T679 F705 I712 L715 L728 | T679-V686 WeakPolarHBondContact O-CA 3.37Å; V686-F705 HydrophobicContact CB-CB 4.43Å; V686-F705 PolarHBondContact N-O 3.47Å; V686-F705 PolarHBondContact O-N 2.84Å; V686-I712 HydrophobicContact CG2-CD1 3.71Å; V686-I712 HydrophobicContact CG2-CG1 3.8Å; V686-I712 HydrophobicContact CG2-CG2 4.07Å; V686-L715 HydrophobicContact CG1-CD1 4.29Å; V686-L715 HydrophobicContact CG1-CD2 3.91Å; V686-L715 HydrophobicContact CG2-CD2 4.19Å; V686-L728 HydrophobicContact CG1-CD2 3.66Å |
| 687 | K | 97 | Very high | 95.4 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.9 | 172.3 | -63.2 | -168.8 | -178.4 | -153.4 | 0 | 110.1 | H660 A678 T679 L703 E704 | H660-K687 WeakPolarHBondContact O-CE 3.34Å; H660-K687 PolarHBondContact O-NZ 3.26Å; A678-K687 CarbonylContact C-O 3.56Å; A678-K687 VanDerWaalsContact CA-O 3.24Å; A678-K687 WeakPolarHBondContact CA-O 3.31Å; T679-K687 PolarHBondContact N-O 3.13Å; T679-K687 PolarHBondContact O-N 2.86Å; K687-L703 CarbonylContact C-O 3.58Å; K687-L703 VanDerWaalsContact CA-O 3.29Å; K687-L703 WeakPolarHBondContact CA-O 3.2Å; K687-E704 HydrophobicContact CD-CG 4.26Å; K687-E704 WeakPolarHBondContact CE-OE1 3.32Å; K687-E704 WeakPolarHBondContact CE-OE2 3.3Å; K687-E704 HydrophobicContact CG-CG 4.07Å; K687-E704 VanDerWaalsContact NZ-CD 3.28Å; K687-E704 IonicContact NZ-OE1 2.68Å; K687-E704 PolarHBondContact NZ-OE1 2.98Å; K687-E704 IonicContact NZ-OE2 2.72Å; K687-E704 PolarHBondContact NZ-OE2 2.71Å |
| 688 | V | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.3 | 173.3 | -172 | 0 | 0 | 0 | 0 | 108.6 | L676 A678 D702 L703 F705 F717 L728 | L676-V688 HydrophobicContact CB-CG1 3.87Å; L676-V688 HydrophobicContact CD1-CG1 4.21Å; L676-V688 HydrophobicContact CD2-CG1 4.19Å; L676-V688 HydrophobicContact CG-CG1 4.32Å; A678-V688 HydrophobicContact CB-CG2 4.1Å; V688-D702 WeakPolarHBondContact O-CA 3.28Å; V688-L703 HydrophobicContact CB-CB 4.27Å; V688-L703 PolarHBondContact N-O 3.36Å; V688-L703 PolarHBondContact O-N 3.03Å; V688-F705 HydrophobicContact CG2-CD2 4.28Å; V688-F705 HydrophobicContact CG2-CE2 3.8Å; V688-F717 HydrophobicContact CG1-CZ 4.27Å; V688-L728 HydrophobicContact CG2-CD2 3.42Å; V688-L728 VanDerWaalsContact CG2-CD2 3.42Å |
| 689 | L | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116 | -177.8 | -176 | 66.9 | 0 | 0 | 0 | 109.6 | L631 F655 L677 F691 A698 | L631-L689 HydrophobicContact CD2-CD2 4.31Å; F655-L689 HydrophobicContact CE1-CD2 3.93Å; F655-L689 HydrophobicContact CZ-CD2 3.9Å; L677-L689 HydrophobicContact CB-CB 4.42Å; L677-L689 PolarHBondContact N-O 3.45Å; L677-L689 PolarHBondContact O-N 2.97Å; L689-F691 PolarHBondContact O-N 3.31Å; L689-A698 HydrophobicContact CD1-CB 3.74Å; L689-A698 HydrophobicContact CD2-CB 4.37Å; L689-A698 HydrophobicContact CG-CB 4.19Å |
| 690 | P | 94.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 124.4 | 165.3 | -21 | 33.9 | 0 | 0 | 0 | 109.7 | L676 A698 T699 P701 | L676-P690 HydrophobicContact CD2-CB 4.44Å; L676-P690 HydrophobicContact CD2-CG 4.46Å; P690-A698 CarbonylContact O-C 3.58Å; P690-A698 VanDerWaalsContact O-CA 3.24Å; P690-A698 WeakPolarHBondContact O-CA 3.39Å; P690-T699 VanDerWaalsContact C-OG1 3.31Å; P690-T699 WeakPolarHBondContact CB-OG1 3.5Å; P690-T699 PolarHBondContact O-N 2.68Å; P690-T699 PolarHBondContact O-OG1 2.67Å; P690-P701 VanDerWaalsContact CD-O 3.27Å; P690-P701 WeakPolarHBondContact CD-O 3.5Å |
| 691 | F | 95 | Very high | 93.9 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.5 | -170.3 | -172.2 | -92.9 | 0 | 0 | 0 | 111 | L621 V633 F655 W670 Q675 L689 C696 | L621-F691 HydrophobicContact CD1-CE1 4.01Å; V633-F691 HydrophobicContact CB-CZ 4.29Å; V633-F691 HydrophobicContact CG1-CZ 4.25Å; V633-F691 HydrophobicContact CG2-CE2 4.16Å; V633-F691 HydrophobicContact CG2-CZ 4.1Å; F655-F691 HydrophobicContact CB-CE2 4.08Å; F655-F691 HydrophobicContact CB-CZ 4.46Å; F655-F691 HydrophobicContact CD1-CE2 4.4Å; F655-F691 HydrophobicContact CD2-CE2 4.18Å; F655-F691 AromaticContact CG-CE2 3.98Å; F655-F691 HydrophobicContact CG-CE2 3.98Å; W670-F691 AromaticContact CH2-CD1 3.51Å; W670-F691 HydrophobicContact CH2-CD1 3.51Å; W670-F691 AromaticContact CH2-CE1 3.63Å; W670-F691 HydrophobicContact CH2-CE1 3.63Å; W670-F691 HydrophobicContact CH2-CG 4.04Å; W670-F691 HydrophobicContact CH2-CZ 4.26Å; W670-F691 HydrophobicContact CZ3-CB 4.12Å; W670-F691 AromaticContact CZ3-CD1 3.51Å; W670-F691 HydrophobicContact CZ3-CD1 3.51Å; W670-F691 HydrophobicContact CZ3-CE1 4.1Å; W670-F691 AromaticContact CZ3-CG 3.94Å; W670-F691 HydrophobicContact CZ3-CG 3.94Å; Q675-F691 WeakPolarHBondContact CA-O 3.09Å; Q675-F691 PolarHBondContact O-N 3.25Å; L689-F691 PolarHBondContact O-N 3.31Å; F691-C696 VanDerWaalsContact CZ-C 3.46Å |
| 692 | N | 93.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.8 | 170.7 | 169.7 | -52.4 | 0 | 0 | 0 | 108.8 | E694 T695 C696 N697 T699 | N692-E694 PolarHBondContact ND2-OE2 3.47Å; N692-E694 WeakPolarHBondContact OD1-CA 3.42Å; N692-E694 VanDerWaalsContact OD1-CB 3.3Å; N692-E694 WeakPolarHBondContact OD1-CB 3.29Å; N692-E694 PolarHBondContact OD1-N 3.15Å; N692-T695 PolarHBondContact OD1-N 3.19Å; N692-T695 PolarHBondContact OD1-OG1 3.14Å; N692-T695 VanDerWaalsContact OD1-OG1 3.13Å; N692-C696 VanDerWaalsContact O-CA 3.29Å; N692-C696 WeakPolarHBondContact O-CA 3.24Å; N692-C696 PolarHBondContact O-N 2.73Å; N692-N697 PolarHBondContact N-O 3.27Å; N692-N697 PolarHBondContact O-N 2.69Å; N692-T699 HydrophobicContact CB-CG2 3.48Å; N692-T699 VanDerWaalsContact CB-CG2 3.48Å |
| 693 | A | 92.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -32.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L621 C696 | L621-A693 HydrophobicContact CD1-CB 3.81Å; A693-C696 PolarHBondContact O-N 2.87Å; A693-C696 PolarHBondContact O-SG 2.94Å |
| 694 | E | 90.4 | Very high | 93.3 | Very high | 173 Ų | 173 | 52.8 Ų | 52.8 | 81% | 0.808 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -44.3 | 179.9 | -46.7 | 164.4 | 136.3 | 0 | 0 | 111.1 | N692 | N692-E694 PolarHBondContact ND2-OE2 3.47Å; N692-E694 WeakPolarHBondContact OD1-CA 3.42Å; N692-E694 VanDerWaalsContact OD1-CB 3.3Å; N692-E694 WeakPolarHBondContact OD1-CB 3.29Å; N692-E694 PolarHBondContact OD1-N 3.15Å |
| 695 | T | 91.6 | Very high | 93.2 | Very high | 94 Ų | 94 | 49.1 Ų | 49.1 | 58% | 0.577 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.4 | 175.8 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | N692 N697 | N692-T695 PolarHBondContact OD1-N 3.19Å; N692-T695 PolarHBondContact OD1-OG1 3.14Å; N692-T695 VanDerWaalsContact OD1-OG1 3.13Å; T695-N697 PolarHBondContact O-N 2.78Å |
| 696 | C | 91.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 14% | 0.135 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 35.8 | -175.5 | -73.5 | 0 | 0 | 0 | 0 | 114 | R654 F691 N692 A693 | R654-C696 HydrophobicContact CB-CB 3.72Å; F691-C696 VanDerWaalsContact CZ-C 3.46Å; N692-C696 VanDerWaalsContact O-CA 3.29Å; N692-C696 WeakPolarHBondContact O-CA 3.24Å; N692-C696 PolarHBondContact O-N 2.73Å; A693-C696 PolarHBondContact O-N 2.87Å; A693-C696 PolarHBondContact O-SG 2.94Å |
| 697 | N | 92.1 | Very high | 92.7 | Very high | 86 Ų | 86 | 53 Ų | 53 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 163.2 | -171.1 | -159.7 | 10.4 | 0 | 0 | 0 | 113.1 | F655 N692 T695 | F655-N697 WeakPolarHBondContact CE2-OD1 3.16Å; N692-N697 PolarHBondContact N-O 3.27Å; N692-N697 PolarHBondContact O-N 2.69Å; T695-N697 PolarHBondContact O-N 2.78Å |
| 698 | A | 92.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 137 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F655 L689 P690 | F655-A698 HydrophobicContact CE2-CB 4.42Å; L689-A698 HydrophobicContact CD1-CB 3.74Å; L689-A698 HydrophobicContact CD2-CB 4.37Å; L689-A698 HydrophobicContact CG-CB 4.19Å; P690-A698 CarbonylContact O-C 3.58Å; P690-A698 VanDerWaalsContact O-CA 3.24Å; P690-A698 WeakPolarHBondContact O-CA 3.39Å |
| 699 | T | 90.4 | Very high | 92.4 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | trans | -104.9 | -11 | -177.9 | 49.6 | 0 | 0 | 0 | 0 | 114.2 | P690 N692 | P690-T699 VanDerWaalsContact C-OG1 3.31Å; P690-T699 WeakPolarHBondContact CB-OG1 3.5Å; P690-T699 PolarHBondContact O-N 2.68Å; P690-T699 PolarHBondContact O-OG1 2.67Å; N692-T699 HydrophobicContact CB-CG2 3.48Å; N692-T699 VanDerWaalsContact CB-CG2 3.48Å | ||
| 700 | G | 88 | Confident | 92.4 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -159.9 | -177.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 701 | P | 90.1 | Very high | 92.5 | Very high | 107 Ų | 107 | 57.6 Ų | 57.6 | 70% | 0.695 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 150.7 | 175.4 | 30.4 | -35.3 | 0 | 0 | 0 | 111.7 | P690 | P690-P701 VanDerWaalsContact CD-O 3.27Å; P690-P701 WeakPolarHBondContact CD-O 3.5Å |
| 702 | D | 91.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 57.4 Ų | 57.4 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 132.6 | 169 | -53 | 35.3 | 0 | 0 | 0 | 109.7 | R657 H660 V688 E704 | R657-D702 IonicContact CZ-OD1 3.82Å; R657-D702 IonicContact CZ-OD2 2.89Å; R657-D702 IonicContact NE-OD2 3.24Å; R657-D702 IonicContact NH1-OD1 2.73Å; R657-D702 PolarHBondContact NH1-OD1 2.75Å; R657-D702 IonicContact NH1-OD2 3.47Å; R657-D702 PolarHBondContact NH1-OD2 3.22Å; R657-D702 IonicContact NH2-OD1 3.15Å; R657-D702 PolarHBondContact NH2-OD1 2.89Å; R657-D702 IonicContact NH2-OD2 3.52Å; R657-D702 PolarHBondContact NH2-OD2 2.99Å; H660-D702 IonicContact CE1-OD2 2.76Å; H660-D702 PolarHBondContact CE1-OD2 2.87Å; H660-D702 VanDerWaalsContact CE1-OD2 3.26Å; H660-D702 IonicContact ND1-OD2 3.06Å; H660-D702 IonicContact NE2-OD2 3.41Å; H660-D702 PolarHBondContact NE2-OD2 2.73Å; V688-D702 WeakPolarHBondContact O-CA 3.28Å; D702-E704 HydrophobicContact CB-CG 4.39Å |
| 703 | L | 92.7 | Very high | 92.8 | Very high | 55 Ų | 55 | 59.1 Ų | 59.1 | 29% | 0.288 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.1 | 160.9 | -55 | 175.3 | 0 | 0 | 0 | 107.8 | K687 V688 F705 C743 | K687-L703 CarbonylContact C-O 3.58Å; K687-L703 VanDerWaalsContact CA-O 3.29Å; K687-L703 WeakPolarHBondContact CA-O 3.2Å; V688-L703 HydrophobicContact CB-CB 4.27Å; V688-L703 PolarHBondContact N-O 3.36Å; V688-L703 PolarHBondContact O-N 3.03Å; L703-F705 HydrophobicContact CB-CE2 3.91Å; L703-F705 HydrophobicContact CB-CZ 3.79Å; L703-F705 HydrophobicContact CD1-CZ 4.18Å; L703-C743 WeakPolarHBondContact CD1-O 3.45Å |
| 704 | E | 94.8 | Very high | 93 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.8 | 178.7 | -51.3 | -158.7 | 176.9 | 0 | 0 | 110.6 | Y685 K687 D702 | Y685-E704 HydrophobicContact CD1-CB 4.38Å; K687-E704 HydrophobicContact CD-CG 4.26Å; K687-E704 WeakPolarHBondContact CE-OE1 3.32Å; K687-E704 WeakPolarHBondContact CE-OE2 3.3Å; K687-E704 HydrophobicContact CG-CG 4.07Å; K687-E704 VanDerWaalsContact NZ-CD 3.28Å; K687-E704 IonicContact NZ-OE1 2.68Å; K687-E704 PolarHBondContact NZ-OE1 2.98Å; K687-E704 IonicContact NZ-OE2 2.72Å; K687-E704 PolarHBondContact NZ-OE2 2.71Å; D702-E704 HydrophobicContact CB-CG 4.39Å |
| 705 | F | 94.2 | Very high | 93.4 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.9 | -178.7 | -53.5 | -67.6 | 0 | 0 | 0 | 110.7 | Y685 V686 V688 L703 M707 T741 | Y685-F705 WeakPolarHBondContact CA-O 3.36Å; V686-F705 HydrophobicContact CB-CB 4.43Å; V686-F705 PolarHBondContact N-O 3.47Å; V686-F705 PolarHBondContact O-N 2.84Å; V688-F705 HydrophobicContact CG2-CD2 4.28Å; V688-F705 HydrophobicContact CG2-CE2 3.8Å; L703-F705 HydrophobicContact CB-CE2 3.91Å; L703-F705 HydrophobicContact CB-CZ 3.79Å; L703-F705 HydrophobicContact CD1-CZ 4.18Å; F705-M707 HydrophobicContact CB-CG 4.49Å; F705-T741 HydrophobicContact CD1-CG2 4.03Å; F705-T741 HydrophobicContact CD2-CG2 4.21Å; F705-T741 HydrophobicContact CE1-CG2 3.72Å; F705-T741 HydrophobicContact CE2-CG2 3.91Å; F705-T741 HydrophobicContact CG-CG2 4.27Å; F705-T741 HydrophobicContact CZ-CG2 3.65Å |
| 706 | S | 92.9 | Very high | 93.6 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | trans | -116.7 | 47.3 | -178.5 | 64.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 707 | M | 90.5 | Very high | 93.7 | Very high | 80 Ų | 80 | 46 Ų | 46 | 39% | 0.394 | 27% | 0.265 | S | S | . | . | trans | -77.1 | -23.5 | -175.4 | -57.9 | -54.3 | -61.8 | 0 | 0 | 113.6 | F705 Y739 | F705-M707 HydrophobicContact CB-CG 4.49Å; M707-Y739 HydrophobicContact CB-CD1 3.74Å; M707-Y739 HydrophobicContact CB-CD2 4.19Å; M707-Y739 HydrophobicContact CB-CE1 4.11Å; M707-Y739 HydrophobicContact CB-CG 3.78Å; M707-Y739 HydrophobicContact CE-CD1 4.03Å; M707-Y739 HydrophobicContact CE-CE1 4.15Å; M707-Y739 HydrophobicContact CG-CD1 4.37Å | ||
| 708 | H | 93.6 | Very high | 93.6 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.046 | 25% | 0.246 | C | C | . | . | trans | -98.6 | 144.3 | -174.2 | -61 | -114.5 | 0 | 0 | 0 | 110.6 | I712 S730 Y739 | H708-I712 HydrophobicContact CB-CD1 3.6Å; H708-I712 WeakPolarHBondContact CD2-CD1 3.29Å; H708-S730 PolarHBondContact CE1-O 2.78Å; H708-S730 PolarHBondContact NE2-OG 3.2Å; H708-Y739 AromaticContact CD2-CD2 3.9Å; H708-Y739 AromaticContact CE1-CD2 3.59Å; H708-Y739 AromaticContact ND1-CD2 3.99Å; H708-Y739 AromaticContact NE2-CD2 3.55Å | ||
| 709 | D | 93.1 | Very high | 93 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 47% | 0.471 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -89.8 | 1.2 | 174.1 | 83.8 | -29.9 | 0 | 0 | 0 | 114.1 | K684 G734 D735 | K684-D709 VanDerWaalsContact CD-O 3.26Å; K684-D709 WeakPolarHBondContact CD-O 3.49Å; K684-D709 WeakPolarHBondContact CE-O 3.47Å; K684-D709 PolarHBondContact NZ-O 3.04Å; D709-G734 VanDerWaalsContact OD1-C 3.27Å; D709-G734 WeakPolarHBondContact OD1-CA 3.34Å; D709-D735 PolarHBondContact N-OD2 3.14Å; D709-D735 PolarHBondContact OD1-N 2.94Å |
| 710 | G | 94.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -147.1 | -147.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K684 A733 | K684-G710 VanDerWaalsContact CA-O 3.3Å; K684-G710 WeakPolarHBondContact CA-O 3.49Å; K684-G710 WeakPolarHBondContact CG-O 3.13Å; G710-A733 CarbonylContact C-O 3.56Å; G710-A733 WeakPolarHBondContact CA-O 3.41Å |
| 711 | T | 96.6 | Very high | 90 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | trans | -84.1 | 119.7 | -170.7 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | Y666 N682 R713 G732 A733 | Y666-T711 HydrophobicContact CD1-CG2 4.29Å; Y666-T711 HydrophobicContact CD2-CG2 4.01Å; Y666-T711 HydrophobicContact CE1-CG2 4.5Å; Y666-T711 HydrophobicContact CE2-CG2 4.23Å; Y666-T711 HydrophobicContact CG-CG2 4.05Å; N682-T711 HydrophobicContact CB-CG2 3.71Å; N682-T711 VanDerWaalsContact CB-OG1 3.31Å; N682-T711 WeakPolarHBondContact CB-OG1 3.47Å; T711-R713 PolarHBondContact O-N 3.49Å; T711-G732 CarbonylContact O-C 3.21Å; T711-G732 WeakPolarHBondContact O-CA 3.5Å; T711-A733 PolarHBondContact N-O 3.41Å; T711-A733 PolarHBondContact O-N 3.33Å | ||
| 712 | I | 97.9 | Very high | 88 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 123 | 170.3 | -39.7 | -58.3 | 0 | 0 | 0 | 108.7 | Y666 S681 V686 H708 L715 | Y666-I712 VanDerWaalsContact CB-O 3.32Å; Y666-I712 WeakPolarHBondContact CB-O 3.31Å; S681-I712 PolarHBondContact O-N 3.1Å; V686-I712 HydrophobicContact CG2-CD1 3.71Å; V686-I712 HydrophobicContact CG2-CG1 3.8Å; V686-I712 HydrophobicContact CG2-CG2 4.07Å; H708-I712 HydrophobicContact CB-CD1 3.6Å; H708-I712 WeakPolarHBondContact CD2-CD1 3.29Å; I712-L715 HydrophobicContact CG2-CD2 4Å; I712-L715 HydrophobicContact CG2-CG 4.29Å |
| 713 | R | 97.1 | Very high | 85.9 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -40.1 | -176 | -70.6 | -60.3 | -170.6 | 135.8 | 4.5 | 112.9 | C667 T711 A731 I759 L760 | C667-R713 WeakPolarHBondContact CB-O 3.4Å; T711-R713 PolarHBondContact O-N 3.49Å; R713-A731 PolarHBondContact N-O 3.33Å; R713-I759 VanDerWaalsContact CB-O 3.24Å; R713-I759 WeakPolarHBondContact CB-O 3.24Å; R713-I759 VanDerWaalsContact CG-O 3.29Å; R713-I759 WeakPolarHBondContact CG-O 3.18Å; R713-L760 HydrophobicContact CG-CD2 4.43Å |
| 714 | D | 97.6 | Very high | 84.1 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 161.4 | 176.8 | -147.5 | -0.1 | 0 | 0 | 0 | 112.2 | A731 A761 L762 | D714-A731 PolarHBondContact N-O 2.94Å; D714-A731 PolarHBondContact O-N 2.99Å; D714-A761 WeakPolarHBondContact OD2-CA 3.4Å; D714-L762 HydrophobicContact CB-CB 4.17Å; D714-L762 HydrophobicContact CB-CG 4.35Å; D714-L762 PolarHBondContact OD2-N 2.98Å |
| 715 | L | 97.4 | Very high | 82.9 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 137.9 | 179.8 | -69 | 173.3 | 0 | 0 | 0 | 109.8 | C667 A669 A678 V686 I712 L728 I729 S730 | C667-L715 HydrophobicContact CB-CG 4.41Å; A669-L715 HydrophobicContact CB-CB 3.9Å; A678-L715 HydrophobicContact CB-CD1 3.97Å; V686-L715 HydrophobicContact CG1-CD1 4.29Å; V686-L715 HydrophobicContact CG1-CD2 3.91Å; V686-L715 HydrophobicContact CG2-CD2 4.19Å; I712-L715 HydrophobicContact CG2-CD2 4Å; I712-L715 HydrophobicContact CG2-CG 4.29Å; L715-L728 HydrophobicContact CB-CD1 4.45Å; L715-L728 HydrophobicContact CD2-CD1 4.2Å; L715-I729 WeakPolarHBondContact CA-O 3.49Å; L715-S730 VanDerWaalsContact CD2-CB 3.47Å |
| 716 | A | 95.9 | Very high | 82.6 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 147.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I729 L762 T764 | A716-I729 HydrophobicContact CB-CB 4.47Å; A716-I729 PolarHBondContact N-O 2.98Å; A716-I729 WeakPolarHBondContact O-CB 3.26Å; A716-I729 PolarHBondContact O-N 3.22Å; A716-L762 HydrophobicContact CB-CB 4.35Å; A716-T764 HydrophobicContact CB-CG2 3.73Å |
| 717 | F | 93.9 | Very high | 82.5 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 149.3 | 172.1 | -85 | -79.8 | 0 | 0 | 0 | 110.5 | A669 W670 S671 L676 A678 V688 A726 I727 L728 | A669-F717 HydrophobicContact CB-CD2 4.05Å; A669-F717 HydrophobicContact CB-CE2 4.41Å; W670-F717 VanDerWaalsContact O-CD2 3.3Å; W670-F717 WeakPolarHBondContact O-CD2 3.4Å; S671-F717 VanDerWaalsContact N-CD2 3.29Å; L676-F717 HydrophobicContact CB-CE1 4.47Å; L676-F717 HydrophobicContact CB-CZ 3.97Å; L676-F717 HydrophobicContact CD1-CE1 4.24Å; L676-F717 HydrophobicContact CD1-CZ 4.48Å; A678-F717 HydrophobicContact CB-CE2 3.46Å; A678-F717 VanDerWaalsContact CB-CE2 3.46Å; A678-F717 HydrophobicContact CB-CZ 3.69Å; V688-F717 HydrophobicContact CG1-CZ 4.27Å; F717-A726 HydrophobicContact CD1-CB 3.92Å; F717-A726 HydrophobicContact CE1-CB 3.99Å; F717-I727 WeakPolarHBondContact CA-O 3.49Å; F717-L728 HydrophobicContact CD1-CB 4.12Å; F717-L728 HydrophobicContact CD1-CD1 4.06Å; F717-L728 HydrophobicContact CD2-CD1 4.05Å; F717-L728 HydrophobicContact CE1-CB 3.88Å; F717-L728 HydrophobicContact CE1-CD1 3.95Å; F717-L728 HydrophobicContact CE1-CG 4.39Å; F717-L728 HydrophobicContact CE2-CD1 3.95Å; F717-L728 HydrophobicContact CG-CD1 4.14Å; F717-L728 HydrophobicContact CZ-CD1 3.92Å |
| 718 | M | 89.8 | Confident | 82.8 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.1 | 176.8 | 179.6 | -165.7 | 69.2 | 0 | 0 | 108.3 | I727 I729 G767 W768 L784 | M718-I727 HydrophobicContact CE-CB 3.76Å; M718-I727 HydrophobicContact CE-CD1 3.6Å; M718-I727 HydrophobicContact CE-CG1 4.23Å; M718-I727 HydrophobicContact CE-CG2 3.83Å; M718-I727 PolarHBondContact N-O 3.47Å; M718-I727 PolarHBondContact O-N 3.38Å; M718-I729 HydrophobicContact CB-CD1 3.93Å; M718-G767 WeakPolarHBondContact CG-O 2.98Å; M718-G767 VanDerWaalsContact SD-O 3.33Å; M718-W768 HydrophobicContact CE-CE3 3.49Å; M718-W768 VanDerWaalsContact CE-CE3 3.49Å; M718-W768 HydrophobicContact CE-CZ3 3.58Å; M718-W768 HydrophobicContact SD-CE3 3.86Å; M718-L784 HydrophobicContact CE-CD1 3.46Å; M718-L784 VanDerWaalsContact CE-CD1 3.46Å; M718-L784 HydrophobicContact SD-CD1 3.8Å |
| 719 | E | 80.8 | Confident | 82.9 | Confident | 104 Ų | 104 | 37.7 Ų | 37.7 | 49% | 0.486 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131.9 | 176.6 | -70.6 | -177.7 | 150.3 | 0 | 0 | 111.2 | P672 | P672-E719 HydrophobicContact CB-CG 4.18Å; P672-E719 HydrophobicContact CG-CG 4Å |
| 720 | G | 63.8 | Low | 83.1 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | trans | -73.9 | 119.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | E722 S723 G724 G725 | G720-E722 PolarHBondContact O-N 2.92Å; G720-E722 VanDerWaalsContact O-N 3.09Å; G720-S723 PolarHBondContact O-N 3.43Å; G720-G724 PolarHBondContact O-N 3.14Å; G720-G724 VanDerWaalsContact O-N 3.15Å; G720-G725 PolarHBondContact N-O 3.5Å | ||
| 721 | P | 51 | Low | 83.2 | Confident | 92 Ų | 92 | 33 Ų | 33 | 60% | 0.597 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.8 | -165.7 | 28 | -36.6 | 0 | 0 | 0 | 115.6 | W768 | P721-W768 HydrophobicContact CG-CH2 4.31Å; P721-W768 HydrophobicContact CG-CZ2 3.42Å; P721-W768 VanDerWaalsContact CG-CZ2 3.42Å |
| 722 | E | 48.7 | Very low | 83 | Confident | 155 Ų | 155 | 31.6 Ų | 31.6 | 72% | 0.724 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -3.6 | -178.7 | -57.9 | -155 | 127.1 | 0 | 0 | 114.4 | K274 G720 | K274-E722 IonicContact NZ-OE1 2.82Å; K274-E722 PolarHBondContact NZ-OE1 3.42Å; G720-E722 PolarHBondContact O-N 2.92Å; G720-E722 VanDerWaalsContact O-N 3.09Å |
| 723 | S | 46.9 | Very low | 82.7 | Confident | 80 Ų | 80 | 32.1 Ų | 32.1 | 56% | 0.559 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -144.2 | -11 | -175.2 | 64.6 | 0 | 0 | 0 | 0 | 116.1 | G720 G725 | G720-S723 PolarHBondContact O-N 3.43Å; S723-G725 PolarHBondContact O-N 3.4Å; S723-G725 PolarHBondContact OG-N 3.42Å |
| 724 | G | 54.8 | Low | 82.3 | Confident | 57 Ų | 57 | 29.7 Ų | 29.7 | 59% | 0.588 | 19% | 0.189 | S | C | * | . | trans | 66.9 | 8.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G720 A726 | G720-G724 PolarHBondContact O-N 3.14Å; G720-G724 VanDerWaalsContact O-N 3.15Å; G724-A726 PolarHBondContact O-N 2.94Å | ||
| 725 | G | 69.5 | Low | 81.8 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 129.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G720 S723 I727 | G720-G725 PolarHBondContact N-O 3.5Å; S723-G725 PolarHBondContact O-N 3.4Å; S723-G725 PolarHBondContact OG-N 3.42Å; G725-I727 PolarHBondContact O-N 3.1Å |
| 726 | A | 87.1 | Confident | 81.6 | Confident | 9 Ų | 9 | 31.7 Ų | 31.7 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | L676 F717 G724 C743 | L676-A726 HydrophobicContact CD1-CB 3.8Å; F717-A726 HydrophobicContact CD1-CB 3.92Å; F717-A726 HydrophobicContact CE1-CB 3.99Å; G724-A726 PolarHBondContact O-N 2.94Å; A726-C743 WeakPolarHBondContact O-CB 3.25Å; A726-C743 PolarHBondContact O-N 2.91Å; A726-C743 VanDerWaalsContact O-N 3.12Å |
| 727 | I | 92.1 | Very high | 81.5 | Confident | 16 Ų | 16 | 32.7 Ų | 32.7 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.3 | 170 | -64.8 | 171.8 | 0 | 0 | 0 | 107.4 | F717 M718 G725 T741 L749 W768 | F717-I727 WeakPolarHBondContact CA-O 3.49Å; M718-I727 HydrophobicContact CE-CB 3.76Å; M718-I727 HydrophobicContact CE-CD1 3.6Å; M718-I727 HydrophobicContact CE-CG1 4.23Å; M718-I727 HydrophobicContact CE-CG2 3.83Å; M718-I727 PolarHBondContact N-O 3.47Å; M718-I727 PolarHBondContact O-N 3.38Å; G725-I727 PolarHBondContact O-N 3.1Å; I727-T741 WeakPolarHBondContact CA-O 3.31Å; I727-L749 HydrophobicContact CD1-CD1 4.17Å; I727-L749 HydrophobicContact CG1-CD1 4.25Å; I727-L749 HydrophobicContact CG2-CD1 4.31Å; I727-W768 HydrophobicContact CD1-CH2 4.34Å; I727-W768 HydrophobicContact CD1-CZ3 3.95Å |
| 728 | L | 95.5 | Very high | 81.6 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.8 | 175.2 | -179.6 | 59.7 | 0 | 0 | 0 | 109.7 | A678 V686 V688 L715 F717 T740 T741 C743 | A678-L728 HydrophobicContact CB-CD1 3.79Å; A678-L728 HydrophobicContact CB-CD2 3.87Å; V686-L728 HydrophobicContact CG1-CD2 3.66Å; V688-L728 HydrophobicContact CG2-CD2 3.42Å; V688-L728 VanDerWaalsContact CG2-CD2 3.42Å; L715-L728 HydrophobicContact CB-CD1 4.45Å; L715-L728 HydrophobicContact CD2-CD1 4.2Å; F717-L728 HydrophobicContact CD1-CB 4.12Å; F717-L728 HydrophobicContact CD1-CD1 4.06Å; F717-L728 HydrophobicContact CD2-CD1 4.05Å; F717-L728 HydrophobicContact CE1-CB 3.88Å; F717-L728 HydrophobicContact CE1-CD1 3.95Å; F717-L728 HydrophobicContact CE1-CG 4.39Å; F717-L728 HydrophobicContact CE2-CD1 3.95Å; F717-L728 HydrophobicContact CG-CD1 4.14Å; F717-L728 HydrophobicContact CZ-CD1 3.92Å; L728-T740 CarbonylContact O-C 3.49Å; L728-T740 WeakPolarHBondContact O-CA 3.47Å; L728-T741 PolarHBondContact N-O 3.24Å; L728-T741 PolarHBondContact O-N 3.05Å; L728-C743 VanDerWaalsContact CB-SG 3.55Å |
| 729 | I | 96.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.3 | 177.4 | -58.8 | 151.1 | 0 | 0 | 0 | 107 | L715 A716 M718 I738 T740 L762 T764 I770 | L715-I729 WeakPolarHBondContact CA-O 3.49Å; A716-I729 HydrophobicContact CB-CB 4.47Å; A716-I729 PolarHBondContact N-O 2.98Å; A716-I729 WeakPolarHBondContact O-CB 3.26Å; A716-I729 PolarHBondContact O-N 3.22Å; M718-I729 HydrophobicContact CB-CD1 3.93Å; I729-I738 HydrophobicContact CG2-CG2 3.48Å; I729-I738 VanDerWaalsContact CG2-CG2 3.48Å; I729-T740 HydrophobicContact CB-CG2 4.49Å; I729-T740 HydrophobicContact CG1-CG2 3.88Å; I729-T740 HydrophobicContact CG2-CG2 4.41Å; I729-L762 HydrophobicContact CG2-CD1 3.9Å; I729-L762 HydrophobicContact CG2-CD2 4.37Å; I729-T764 HydrophobicContact CD1-CG2 3.36Å; I729-I770 HydrophobicContact CD1-CD1 3.81Å; I729-I770 HydrophobicContact CD1-CG1 3.95Å; I729-I770 HydrophobicContact CG1-CD1 4.02Å; I729-I770 HydrophobicContact CG2-CD1 3.88Å; I729-I770 HydrophobicContact CG2-CG2 4.22Å |
| 730 | S | 97.6 | Very high | 82.6 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.7 | -173.2 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | H708 L715 I738 Y739 | H708-S730 PolarHBondContact CE1-O 2.78Å; H708-S730 PolarHBondContact NE2-OG 3.2Å; L715-S730 VanDerWaalsContact CD2-CB 3.47Å; S730-I738 WeakPolarHBondContact O-CA 3.43Å; S730-Y739 PolarHBondContact N-O 3.2Å; S730-Y739 PolarHBondContact O-N 2.93Å; S730-Y739 PolarHBondContact OG-O 3.39Å; S730-Y739 VanDerWaalsContact OG-O 3.07Å |
| 731 | A | 96.8 | Very high | 84 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R713 D714 I738 I759 L762 | R713-A731 PolarHBondContact N-O 3.33Å; D714-A731 PolarHBondContact N-O 2.94Å; D714-A731 PolarHBondContact O-N 2.99Å; A731-I738 HydrophobicContact CB-CG1 4.2Å; A731-I759 HydrophobicContact CB-CB 3.82Å; A731-I759 HydrophobicContact CB-CD1 4.04Å; A731-I759 HydrophobicContact CB-CG2 3.53Å; A731-L762 HydrophobicContact CB-CD1 3.65Å; A731-L762 HydrophobicContact CB-CD2 3.93Å; A731-L762 HydrophobicContact CB-CG 3.83Å |
| 732 | G | 92.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | -168.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | T711 I759 | T711-G732 CarbonylContact O-C 3.21Å; T711-G732 WeakPolarHBondContact O-CA 3.5Å; G732-I759 CarbonylContact C-O 3.56Å; G732-I759 PolarHBondContact O-N 3.19Å |
| 733 | A | 90.3 | Very high | 87.7 | Confident | 12 Ų | 12 | 17.7 Ų | 17.7 | 10% | 0.099 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -93.4 | 141 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G710 T711 H758 | G710-A733 CarbonylContact C-O 3.56Å; G710-A733 WeakPolarHBondContact CA-O 3.41Å; T711-A733 PolarHBondContact N-O 3.41Å; T711-A733 PolarHBondContact O-N 3.33Å; A733-H758 HydrophobicContact CB-CB 3.78Å; A733-H758 VanDerWaalsContact CB-CD2 3.5Å; A733-H758 WeakPolarHBondContact CB-CD2 3.49Å; A733-H758 VanDerWaalsContact CB-CG 3.41Å |
| 734 | G | 89.2 | Confident | 89.5 | Confident | 28 Ų | 28 | 20.3 Ų | 20.3 | 29% | 0.289 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 130.6 | -127.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D709 C736 H758 | D709-G734 VanDerWaalsContact OD1-C 3.27Å; D709-G734 WeakPolarHBondContact OD1-CA 3.34Å; G734-C736 PolarHBondContact O-N 3.45Å; G734-C736 PolarHBondContact O-SG 3.38Å; G734-H758 PolarHBondContact N-ND1 3.32Å |
| 735 | D | 87.9 | Confident | 90.8 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 26% | 0.257 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -53.7 | -16.1 | 175.2 | 59.2 | 53.7 | 0 | 0 | 0 | 115.9 | D709 N737 | D709-D735 PolarHBondContact N-OD2 3.14Å; D709-D735 PolarHBondContact OD1-N 2.94Å; D735-N737 PolarHBondContact O-N 3.41Å; D735-N737 WeakPolarHBondContact OD1-CB 3.43Å; D735-N737 PolarHBondContact OD1-N 3.12Å |
| 736 | C | 91.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 9% | 0.088 | 15% | 0.145 | C | C | . | . | trans | 61 | 24.4 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 115 | G734 H755 G757 H758 I759 | G734-C736 PolarHBondContact O-N 3.45Å; G734-C736 PolarHBondContact O-SG 3.38Å; C736-H755 HydrophobicContact CB-CB 4.49Å; C736-G757 PolarHBondContact SG-O 3.06Å; C736-H758 PolarHBondContact SG-N 2.78Å; C736-I759 WeakPolarHBondContact O-CD1 3.34Å | ||
| 737 | N | 94.7 | Very high | 91.4 | Very high | 29 Ų | 29 | 32.2 Ų | 32.2 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | trans | -92.4 | 162.6 | 174.1 | -61.8 | -50.9 | 0 | 0 | 0 | 112.5 | D735 Y739 L752 S753 | D735-N737 PolarHBondContact O-N 3.41Å; D735-N737 WeakPolarHBondContact OD1-CB 3.43Å; D735-N737 PolarHBondContact OD1-N 3.12Å; N737-Y739 HydrophobicContact CB-CD2 4.23Å; N737-Y739 HydrophobicContact CB-CE2 3.67Å; N737-Y739 PolarHBondContact ND2-OH 2.99Å; N737-L752 WeakPolarHBondContact CA-O 3.14Å; N737-S753 VanDerWaalsContact OD1-CA 3.29Å; N737-S753 WeakPolarHBondContact OD1-CA 3.29Å; N737-S753 WeakPolarHBondContact OD1-CB 3.5Å | ||
| 738 | I | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.8 | 164.4 | -50.9 | 174.1 | 0 | 0 | 0 | 108.3 | I729 S730 A731 A751 L752 I759 L762 W782 | I729-I738 HydrophobicContact CG2-CG2 3.48Å; I729-I738 VanDerWaalsContact CG2-CG2 3.48Å; S730-I738 WeakPolarHBondContact O-CA 3.43Å; A731-I738 HydrophobicContact CB-CG1 4.2Å; I738-A751 WeakPolarHBondContact O-CA 3.49Å; I738-L752 HydrophobicContact CB-CB 4.16Å; I738-L752 HydrophobicContact CB-CD1 4.36Å; I738-L752 HydrophobicContact CB-CG 4.48Å; I738-L752 PolarHBondContact N-O 2.9Å; I738-L752 PolarHBondContact O-N 3.28Å; I738-I759 HydrophobicContact CD1-CD1 4.25Å; I738-I759 HydrophobicContact CG1-CD1 3.46Å; I738-I759 VanDerWaalsContact CG1-CD1 3.46Å; I738-L762 HydrophobicContact CD1-CD2 4.14Å; I738-L762 HydrophobicContact CG1-CD2 4.47Å; I738-L762 HydrophobicContact CG2-CD2 4.29Å; I738-W782 HydrophobicContact CD1-CD2 4.26Å; I738-W782 HydrophobicContact CD1-CG 4.34Å; I738-W782 HydrophobicContact CD1-CZ2 4.08Å; I738-W782 VanDerWaalsContact CD1-NE1 3.31Å |
| 739 | Y | 95.7 | Very high | 90.8 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 14% | 0.137 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.1 | 176.1 | -68.3 | -88.9 | 0 | 0 | 0 | 110.8 | M707 H708 S730 N737 H750 A751 | M707-Y739 HydrophobicContact CB-CD1 3.74Å; M707-Y739 HydrophobicContact CB-CD2 4.19Å; M707-Y739 HydrophobicContact CB-CE1 4.11Å; M707-Y739 HydrophobicContact CB-CG 3.78Å; M707-Y739 HydrophobicContact CE-CD1 4.03Å; M707-Y739 HydrophobicContact CE-CE1 4.15Å; M707-Y739 HydrophobicContact CG-CD1 4.37Å; H708-Y739 AromaticContact CD2-CD2 3.9Å; H708-Y739 AromaticContact CE1-CD2 3.59Å; H708-Y739 AromaticContact ND1-CD2 3.99Å; H708-Y739 AromaticContact NE2-CD2 3.55Å; S730-Y739 PolarHBondContact N-O 3.2Å; S730-Y739 PolarHBondContact O-N 2.93Å; S730-Y739 PolarHBondContact OG-O 3.39Å; S730-Y739 VanDerWaalsContact OG-O 3.07Å; N737-Y739 HydrophobicContact CB-CD2 4.23Å; N737-Y739 HydrophobicContact CB-CE2 3.67Å; N737-Y739 PolarHBondContact ND2-OH 2.99Å; Y739-H750 WeakPolarHBondContact CA-O 3.08Å; Y739-A751 HydrophobicContact CD1-CB 3.76Å; Y739-A751 HydrophobicContact CE1-CB 3.48Å; Y739-A751 VanDerWaalsContact CE1-CB 3.48Å |
| 740 | T | 94.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.6 | 171 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | L728 I729 G748 L749 H750 I770 L784 | L728-T740 CarbonylContact O-C 3.49Å; L728-T740 WeakPolarHBondContact O-CA 3.47Å; I729-T740 HydrophobicContact CB-CG2 4.49Å; I729-T740 HydrophobicContact CG1-CG2 3.88Å; I729-T740 HydrophobicContact CG2-CG2 4.41Å; T740-G748 WeakPolarHBondContact O-CA 3.07Å; T740-L749 PolarHBondContact O-N 3.08Å; T740-H750 PolarHBondContact N-O 3.49Å; T740-H750 WeakPolarHBondContact OG1-CB 3.3Å; T740-H750 PolarHBondContact OG1-N 3.38Å; T740-H750 VanDerWaalsContact OG1-N 3.15Å; T740-H750 PolarHBondContact OG1-ND1 2.78Å; T740-H750 PolarHBondContact OG1-O 3.46Å; T740-I770 HydrophobicContact CG2-CD1 4.43Å; T740-L784 HydrophobicContact CG2-CD1 4.16Å; T740-L784 HydrophobicContact CG2-CD2 3.64Å |
| 741 | T | 93.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 129.6 | -171.2 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | F705 I727 L728 C743 Q747 | F705-T741 HydrophobicContact CD1-CG2 4.03Å; F705-T741 HydrophobicContact CD2-CG2 4.21Å; F705-T741 HydrophobicContact CE1-CG2 3.72Å; F705-T741 HydrophobicContact CE2-CG2 3.91Å; F705-T741 HydrophobicContact CG-CG2 4.27Å; F705-T741 HydrophobicContact CZ-CG2 3.65Å; I727-T741 WeakPolarHBondContact CA-O 3.31Å; L728-T741 PolarHBondContact N-O 3.24Å; L728-T741 PolarHBondContact O-N 3.05Å; T741-C743 PolarHBondContact O-N 3.23Å; T741-Q747 CarbonylContact C-O 3.55Å; T741-Q747 WeakPolarHBondContact CA-O 3.38Å; T741-Q747 WeakPolarHBondContact CG2-O 3.43Å |
| 742 | D | 90.2 | Very high | 90 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 111.3 | 168.2 | 179.5 | -25 | 0 | 0 | 0 | 108.9 | Q744 R745 G746 Q747 L749 | D742-Q744 VanDerWaalsContact C-N 3.33Å; D742-Q744 WeakPolarHBondContact OD1-CA 3.26Å; D742-Q744 VanDerWaalsContact OD1-CB 3.3Å; D742-Q744 WeakPolarHBondContact OD1-CB 3.44Å; D742-Q744 PolarHBondContact OD1-N 3.43Å; D742-R745 HydrophobicContact CB-CB 4.26Å; D742-R745 PolarHBondContact OD1-N 3.03Å; D742-R745 WeakPolarHBondContact OD2-CD 3.44Å; D742-R745 VanDerWaalsContact OD2-CG 3.23Å; D742-R745 WeakPolarHBondContact OD2-CG 3.3Å; D742-R745 IonicContact OD2-NE 2.72Å; D742-R745 PolarHBondContact OD2-NE 3.28Å; D742-G746 WeakPolarHBondContact O-CA 3.36Å; D742-G746 PolarHBondContact O-N 3.44Å; D742-Q747 PolarHBondContact N-O 3.35Å; D742-Q747 PolarHBondContact O-N 3.19Å; D742-L749 HydrophobicContact CB-CD1 4.15Å; D742-L749 HydrophobicContact CB-CD2 4.04Å; D742-L749 HydrophobicContact CB-CG 4.15Å |
| 743 | C | 88.6 | Confident | 90 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.2 | 178.9 | -66.3 | 0 | 0 | 0 | 0 | 114.2 | L676 L703 A726 L728 T741 | L676-C743 HydrophobicContact CD1-CB 3.74Å; L703-C743 WeakPolarHBondContact CD1-O 3.45Å; A726-C743 WeakPolarHBondContact O-CB 3.25Å; A726-C743 PolarHBondContact O-N 2.91Å; A726-C743 VanDerWaalsContact O-N 3.12Å; L728-C743 VanDerWaalsContact CB-SG 3.55Å; T741-C743 PolarHBondContact O-N 3.23Å |
| 744 | Q | 84.4 | Confident | 90 | Very high | 135 Ų | 135 | 49.6 Ų | 49.6 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -35.8 | 173.6 | -173.2 | 178.3 | 52.1 | 0 | 0 | 111.1 | D742 | D742-Q744 VanDerWaalsContact C-N 3.33Å; D742-Q744 WeakPolarHBondContact OD1-CA 3.26Å; D742-Q744 VanDerWaalsContact OD1-CB 3.3Å; D742-Q744 WeakPolarHBondContact OD1-CB 3.44Å; D742-Q744 PolarHBondContact OD1-N 3.43Å |
| 745 | R | 82.5 | Confident | 90.3 | Very high | 179 Ų | 179 | 48.9 Ų | 48.9 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -20.3 | 176.9 | -62.9 | -179.2 | -169.2 | -159.2 | -0.4 | 114.1 | D742 Q747 | D742-R745 HydrophobicContact CB-CB 4.26Å; D742-R745 PolarHBondContact OD1-N 3.03Å; D742-R745 WeakPolarHBondContact OD2-CD 3.44Å; D742-R745 VanDerWaalsContact OD2-CG 3.23Å; D742-R745 WeakPolarHBondContact OD2-CG 3.3Å; D742-R745 IonicContact OD2-NE 2.72Å; D742-R745 PolarHBondContact OD2-NE 3.28Å; R745-Q747 HydrophobicContact CB-CB 4.28Å; R745-Q747 HydrophobicContact CB-CG 4.22Å |
| 746 | G | 83.8 | Confident | 90.6 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 33.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | D742 | D742-G746 WeakPolarHBondContact O-CA 3.36Å; D742-G746 PolarHBondContact O-N 3.44Å |
| 747 | Q | 84.5 | Confident | 90.7 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.4 | -173 | -70.7 | -177.6 | -19.1 | 0 | 0 | 111.9 | T741 D742 R745 | T741-Q747 CarbonylContact C-O 3.55Å; T741-Q747 WeakPolarHBondContact CA-O 3.38Å; T741-Q747 WeakPolarHBondContact CG2-O 3.43Å; D742-Q747 PolarHBondContact N-O 3.35Å; D742-Q747 PolarHBondContact O-N 3.19Å; R745-Q747 HydrophobicContact CB-CB 4.28Å; R745-Q747 HydrophobicContact CB-CG 4.22Å |
| 748 | G | 86.4 | Confident | 90.8 | Very high | 45 Ų | 45 | 54.4 Ų | 54.4 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 137.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T740 | T740-G748 WeakPolarHBondContact O-CA 3.07Å |
| 749 | L | 87.9 | Confident | 90.9 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 40% | 0.398 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -57.2 | -179 | -61 | 176.3 | 0 | 0 | 0 | 111.1 | I727 T740 D742 | I727-L749 HydrophobicContact CD1-CD1 4.17Å; I727-L749 HydrophobicContact CG1-CD1 4.25Å; I727-L749 HydrophobicContact CG2-CD1 4.31Å; T740-L749 PolarHBondContact O-N 3.08Å; D742-L749 HydrophobicContact CB-CD1 4.15Å; D742-L749 HydrophobicContact CB-CD2 4.04Å; D742-L749 HydrophobicContact CB-CG 4.15Å |
| 750 | H | 89.4 | Confident | 90.9 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147 | -177.2 | -43.7 | 101 | 0 | 0 | 0 | 111.4 | Y739 T740 L752 | Y739-H750 WeakPolarHBondContact CA-O 3.08Å; T740-H750 PolarHBondContact N-O 3.49Å; T740-H750 WeakPolarHBondContact OG1-CB 3.3Å; T740-H750 PolarHBondContact OG1-N 3.38Å; T740-H750 VanDerWaalsContact OG1-N 3.15Å; T740-H750 PolarHBondContact OG1-ND1 2.78Å; T740-H750 PolarHBondContact OG1-O 3.46Å; H750-L752 HydrophobicContact CB-CD2 4.06Å |
| 751 | A | 92.6 | Very high | 91 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 104.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | I738 Y739 S753 | I738-A751 WeakPolarHBondContact O-CA 3.49Å; Y739-A751 HydrophobicContact CD1-CB 3.76Å; Y739-A751 HydrophobicContact CE1-CB 3.48Å; Y739-A751 VanDerWaalsContact CE1-CB 3.48Å; A751-S753 PolarHBondContact O-N 2.92Å |
| 752 | L | 94.2 | Very high | 91.3 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113.6 | 179.3 | -46.9 | 178 | 0 | 0 | 0 | 108.9 | N737 I738 H750 I770 W782 L784 | N737-L752 WeakPolarHBondContact CA-O 3.14Å; I738-L752 HydrophobicContact CB-CB 4.16Å; I738-L752 HydrophobicContact CB-CD1 4.36Å; I738-L752 HydrophobicContact CB-CG 4.48Å; I738-L752 PolarHBondContact N-O 2.9Å; I738-L752 PolarHBondContact O-N 3.28Å; H750-L752 HydrophobicContact CB-CD2 4.06Å; L752-I770 HydrophobicContact CD1-CD1 4.25Å; L752-W782 HydrophobicContact CB-CD2 4.36Å; L752-W782 HydrophobicContact CB-CE3 3.81Å; L752-W782 HydrophobicContact CB-CH2 4.46Å; L752-W782 HydrophobicContact CB-CZ3 3.87Å; L752-W782 HydrophobicContact CD1-CB 3.92Å; L752-W782 HydrophobicContact CD1-CD2 4.07Å; L752-W782 HydrophobicContact CD1-CE3 4.06Å; L752-W782 HydrophobicContact CD1-CG 4.02Å; L752-W782 HydrophobicContact CG-CE3 4.46Å; L752-L784 HydrophobicContact CD1-CD2 3.9Å; L752-L784 HydrophobicContact CD2-CD2 4.31Å; L752-L784 HydrophobicContact CG-CD2 4.48Å |
| 753 | S | 92.5 | Very high | 91.6 | Very high | 82 Ų | 82 | 54.9 Ų | 54.9 | 57% | 0.573 | 31% | 0.312 | S | S | * | . | trans | -103.4 | 158.6 | -178.5 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | N737 A751 W782 | N737-S753 VanDerWaalsContact OD1-CA 3.29Å; N737-S753 WeakPolarHBondContact OD1-CA 3.29Å; N737-S753 WeakPolarHBondContact OD1-CB 3.5Å; A751-S753 PolarHBondContact O-N 2.92Å; S753-W782 VanDerWaalsContact O-CH2 3.3Å; S753-W782 WeakPolarHBondContact O-CH2 3.35Å; S753-W782 WeakPolarHBondContact O-CZ3 3.29Å | ||
| 754 | G | 89.9 | Confident | 91.8 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | trans | 138.5 | -17.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R780 | G754-R780 VanDerWaalsContact C-NH1 3.3Å; G754-R780 PolarHBondContact O-NH1 2.92Å; G754-R780 PolarHBondContact O-NH2 3.38Å | ||
| 755 | H | 94.4 | Very high | 92 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 6% | 0.06 | 29% | 0.293 | C | S | . | . | trans | -65.5 | 140.2 | 165.3 | -88.4 | -62.5 | 0 | 0 | 0 | 109.9 | C736 I759 S772 S774 D776 T778 R780 W782 | C736-H755 HydrophobicContact CB-CB 4.49Å; H755-I759 HydrophobicContact CB-CD1 4.37Å; H755-I759 HydrophobicContact CB-CG1 4.2Å; H755-S772 PolarHBondContact CD2-OG 3.06Å; H755-S772 PolarHBondContact NE2-OG 2.95Å; H755-S774 WeakPolarHBondContact CE1-CB 3.36Å; H755-S774 WeakPolarHBondContact ND1-CB 3.43Å; H755-D776 WeakPolarHBondContact CA-OD2 3.39Å; H755-D776 IonicContact CE1-OD1 3.87Å; H755-D776 IonicContact CE1-OD2 3.46Å; H755-D776 IonicContact CG-OD2 3.26Å; H755-D776 VanDerWaalsContact ND1-CG 3.29Å; H755-D776 IonicContact ND1-OD1 2.45Å; H755-D776 PolarHBondContact ND1-OD1 3.04Å; H755-D776 IonicContact ND1-OD2 2.64Å; H755-D776 PolarHBondContact ND1-OD2 3.36Å; H755-T778 PolarHBondContact CE1-OG1 3.44Å; H755-T778 VanDerWaalsContact CE1-OG1 3.29Å; H755-T778 PolarHBondContact ND1-OG1 3.21Å; H755-R780 VanDerWaalsContact CE1-CD 3.5Å; H755-R780 WeakPolarHBondContact CE1-CD 3.41Å; H755-R780 VanDerWaalsContact CE1-CG 3.5Å; H755-R780 WeakPolarHBondContact CE1-CG 3.44Å; H755-R780 PolarHBondContact ND1-NE 3.29Å; H755-W782 AromaticContact CD2-CZ2 3.88Å | ||
| 756 | T | 93.9 | Very high | 91.5 | Very high | 126 Ų | 126 | 46.6 Ų | 46.6 | 77% | 0.773 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -102.9 | 11.8 | -179.3 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | D776 | T756-D776 PolarHBondContact N-OD2 3.1Å; T756-D776 VanDerWaalsContact N-OD2 3.13Å; T756-D776 WeakPolarHBondContact OG1-CB 3.45Å |
| 757 | G | 94.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -160.1 | 164 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | C736 I759 S774 | C736-G757 PolarHBondContact SG-O 3.06Å; G757-I759 PolarHBondContact O-N 3.33Å; G757-S774 VanDerWaalsContact C-OG 3.25Å; G757-S774 PolarHBondContact O-OG 2.86Å |
| 758 | H | 96.5 | Very high | 91.4 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 32% | 0.315 | 29% | 0.289 | S | S | . | . | trans | -55.3 | 131.5 | -170.4 | -59.6 | -20.6 | 0 | 0 | 0 | 112.5 | A733 G734 C736 L760 S774 Q775 | A733-H758 HydrophobicContact CB-CB 3.78Å; A733-H758 VanDerWaalsContact CB-CD2 3.5Å; A733-H758 WeakPolarHBondContact CB-CD2 3.49Å; A733-H758 VanDerWaalsContact CB-CG 3.41Å; G734-H758 PolarHBondContact N-ND1 3.32Å; C736-H758 PolarHBondContact SG-N 2.78Å; H758-L760 HydrophobicContact CB-CD2 4.36Å; H758-S774 WeakPolarHBondContact O-CA 3.29Å; H758-S774 PolarHBondContact O-OG 3.27Å; H758-Q775 HydrophobicContact CB-CB 4.34Å; H758-Q775 PolarHBondContact CD2-OE1 3.43Å; H758-Q775 VanDerWaalsContact CD2-OE1 3.26Å; H758-Q775 PolarHBondContact O-N 2.85Å | ||
| 759 | I | 97.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.8 | 175.8 | -54.3 | 178.9 | 0 | 0 | 0 | 107.7 | R713 A731 G732 C736 I738 H755 G757 | R713-I759 VanDerWaalsContact CB-O 3.24Å; R713-I759 WeakPolarHBondContact CB-O 3.24Å; R713-I759 VanDerWaalsContact CG-O 3.29Å; R713-I759 WeakPolarHBondContact CG-O 3.18Å; A731-I759 HydrophobicContact CB-CB 3.82Å; A731-I759 HydrophobicContact CB-CD1 4.04Å; A731-I759 HydrophobicContact CB-CG2 3.53Å; G732-I759 CarbonylContact C-O 3.56Å; G732-I759 PolarHBondContact O-N 3.19Å; C736-I759 WeakPolarHBondContact O-CD1 3.34Å; I738-I759 HydrophobicContact CD1-CD1 4.25Å; I738-I759 HydrophobicContact CG1-CD1 3.46Å; I738-I759 VanDerWaalsContact CG1-CD1 3.46Å; H755-I759 HydrophobicContact CB-CD1 4.37Å; H755-I759 HydrophobicContact CB-CG1 4.2Å; G757-I759 PolarHBondContact O-N 3.33Å |
| 760 | L | 97.1 | Very high | 92.1 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -24.5 | -171 | -58.7 | -179.3 | 0 | 0 | 0 | 113.1 | R713 H758 G773 Q775 | R713-L760 HydrophobicContact CG-CD2 4.43Å; H758-L760 HydrophobicContact CB-CD2 4.36Å; L760-G773 PolarHBondContact N-O 3.26Å; L760-Q775 HydrophobicContact CD1-CB 4.41Å |
| 761 | A | 97.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D714 S772 G773 V807 | D714-A761 WeakPolarHBondContact OD2-CA 3.4Å; A761-S772 WeakPolarHBondContact O-CA 3.03Å; A761-G773 PolarHBondContact N-O 3.41Å; A761-G773 PolarHBondContact O-N 2.82Å; A761-V807 HydrophobicContact CB-CG2 3.95Å |
| 762 | L | 97.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148.4 | 175.2 | -74 | 173.2 | 0 | 0 | 0 | 111.6 | D714 A716 I729 A731 I738 I770 A771 | D714-L762 HydrophobicContact CB-CB 4.17Å; D714-L762 HydrophobicContact CB-CG 4.35Å; D714-L762 PolarHBondContact OD2-N 2.98Å; A716-L762 HydrophobicContact CB-CB 4.35Å; I729-L762 HydrophobicContact CG2-CD1 3.9Å; I729-L762 HydrophobicContact CG2-CD2 4.37Å; A731-L762 HydrophobicContact CB-CD1 3.65Å; A731-L762 HydrophobicContact CB-CD2 3.93Å; A731-L762 HydrophobicContact CB-CG 3.83Å; I738-L762 HydrophobicContact CD1-CD2 4.14Å; I738-L762 HydrophobicContact CG1-CD2 4.47Å; I738-L762 HydrophobicContact CG2-CD2 4.29Å; L762-I770 HydrophobicContact CD2-CG2 3.98Å; L762-A771 CarbonylContact C-O 3.46Å; L762-A771 WeakPolarHBondContact CA-O 2.99Å |
| 763 | Y | 96.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 34.4 Ų | 34.4 | 19% | 0.188 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 151.3 | 168.2 | -159.9 | -90.7 | 0 | 0 | 0 | 110.8 | W765 I770 A771 A808 V809 | Y763-W765 HydrophobicContact CE1-CB 4.3Å; Y763-I770 CarbonylContact O-C 3.55Å; Y763-I770 WeakPolarHBondContact O-CA 3.23Å; Y763-A771 PolarHBondContact N-O 2.76Å; Y763-A771 PolarHBondContact O-N 2.68Å; Y763-A808 HydrophobicContact CD2-CB 4.1Å; Y763-A808 HydrophobicContact CE2-CB 4.07Å; Y763-V809 HydrophobicContact CD1-CB 3.84Å; Y763-V809 HydrophobicContact CD1-CG2 4.12Å; Y763-V809 HydrophobicContact CE1-CB 3.85Å; Y763-V809 WeakPolarHBondContact CE1-O 3.48Å; Y763-V809 VanDerWaalsContact CZ-O 3.32Å; Y763-V809 PolarHBondContact OH-O 3.06Å |
| 764 | T | 93.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.5 | -179.3 | 44.7 | 0 | 0 | 0 | 0 | 110 | A716 I729 M769 I770 | A716-T764 HydrophobicContact CB-CG2 3.73Å; I729-T764 HydrophobicContact CD1-CG2 3.36Å; T764-M769 WeakPolarHBondContact CA-O 3.29Å; T764-I770 HydrophobicContact CG2-CG1 4.5Å |
| 765 | W | 89.6 | Confident | 93.4 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 165.3 | 175.4 | 81.9 | 106 | 0 | 0 | 0 | 111.7 | Y763 G767 M769 I770 A771 F781 V809 I830 | Y763-W765 HydrophobicContact CE1-CB 4.3Å; W765-G767 VanDerWaalsContact C-N 3.3Å; W765-G767 PolarHBondContact O-N 2.95Å; W765-G767 VanDerWaalsContact O-N 3.11Å; W765-M769 HydrophobicContact CD2-CB 3.9Å; W765-M769 HydrophobicContact CE3-CB 3.91Å; W765-M769 HydrophobicContact CH2-CB 3.92Å; W765-M769 HydrophobicContact CH2-CE 3.95Å; W765-M769 HydrophobicContact CH2-SD 4.39Å; W765-M769 HydrophobicContact CZ2-CB 3.91Å; W765-M769 HydrophobicContact CZ2-CE 3.72Å; W765-M769 HydrophobicContact CZ2-CG 4.45Å; W765-M769 HydrophobicContact CZ2-SD 3.71Å; W765-M769 HydrophobicContact CZ3-CB 3.92Å; W765-M769 PolarHBondContact N-O 3Å; W765-M769 VanDerWaalsContact N-O 3.07Å; W765-M769 WeakPolarHBondContact O-CB 3.21Å; W765-M769 PolarHBondContact O-N 3.28Å; W765-I770 VanDerWaalsContact CZ3-C 3.48Å; W765-A771 HydrophobicContact CE3-CB 4.41Å; W765-A771 HydrophobicContact CH2-CB 4.38Å; W765-A771 HydrophobicContact CZ3-CB 3.64Å; W765-F781 HydrophobicContact CH2-CB 4.23Å; W765-F781 AromaticContact CH2-CD1 3.66Å; W765-F781 HydrophobicContact CH2-CD1 3.66Å; W765-F781 HydrophobicContact CH2-CD2 4.38Å; W765-F781 HydrophobicContact CH2-CE1 4.06Å; W765-F781 AromaticContact CH2-CG 3.85Å; W765-F781 HydrophobicContact CH2-CG 3.85Å; W765-F781 HydrophobicContact CZ3-CD1 4.32Å; W765-V809 HydrophobicContact CB-CB 4.29Å; W765-V809 HydrophobicContact CB-CG1 4.26Å; W765-V809 HydrophobicContact CD2-CB 4.11Å; W765-V809 HydrophobicContact CD2-CG1 3.98Å; W765-V809 HydrophobicContact CD2-CG2 3.93Å; W765-V809 HydrophobicContact CE3-CB 4.34Å; W765-V809 HydrophobicContact CE3-CG2 3.8Å; W765-V809 HydrophobicContact CG-CB 4.09Å; W765-V809 HydrophobicContact CG-CG1 3.76Å; W765-V809 HydrophobicContact CG-CG2 4.44Å; W765-V809 HydrophobicContact CZ3-CG2 4.11Å; W765-I830 HydrophobicContact CZ2-CD1 4.3Å |
| 766 | S | 70.9 | Confident | 93.4 | Very high | 91 Ų | 91 | 34 Ų | 34 | 64% | 0.636 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 45.5 | 171.6 | -63.9 | 0 | 0 | 0 | 0 | 115.5 | W768 | S766-W768 PolarHBondContact O-N 3.31Š|
| 767 | G | 79.4 | Confident | 93.4 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 52% | 0.515 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -109 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M718 W765 M769 | M718-G767 WeakPolarHBondContact CG-O 2.98Å; M718-G767 VanDerWaalsContact SD-O 3.33Å; W765-G767 VanDerWaalsContact C-N 3.3Å; W765-G767 PolarHBondContact O-N 2.95Å; W765-G767 VanDerWaalsContact O-N 3.11Å; G767-M769 VanDerWaalsContact C-N 3.29Å; G767-M769 PolarHBondContact O-N 3.3Å |
| 768 | W | 87.4 | Confident | 93.4 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 30% | 0.295 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 4.5 | -168.8 | -64.6 | 108.8 | 0 | 0 | 0 | 115.7 | M718 P721 I727 S766 L784 R785 | M718-W768 HydrophobicContact CE-CE3 3.49Å; M718-W768 VanDerWaalsContact CE-CE3 3.49Å; M718-W768 HydrophobicContact CE-CZ3 3.58Å; M718-W768 HydrophobicContact SD-CE3 3.86Å; P721-W768 HydrophobicContact CG-CH2 4.31Å; P721-W768 HydrophobicContact CG-CZ2 3.42Å; P721-W768 VanDerWaalsContact CG-CZ2 3.42Å; I727-W768 HydrophobicContact CD1-CH2 4.34Å; I727-W768 HydrophobicContact CD1-CZ3 3.95Å; S766-W768 PolarHBondContact O-N 3.31Å; W768-L784 HydrophobicContact CE3-CB 3.73Å; W768-L784 HydrophobicContact CE3-CD1 4.03Å; W768-L784 HydrophobicContact CZ3-CB 4.32Å; W768-L784 HydrophobicContact CZ3-CD1 4.43Å; W768-L784 PolarHBondContact O-N 3.33Å; W768-L784 VanDerWaalsContact O-N 3.12Å; W768-R785 HydrophobicContact CB-CG 4.32Å; W768-R785 HydrophobicContact CD2-CG 4.34Å; W768-R785 HydrophobicContact CG-CG 3.98Å |
| 769 | M | 92.6 | Very high | 93.5 | Very high | 40 Ų | 40 | 29.5 Ų | 29.5 | 20% | 0.197 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.1 | -174.1 | -59.2 | -157.2 | 74.2 | 0 | 0 | 113.7 | T764 W765 G767 F781 W782 | T764-M769 WeakPolarHBondContact CA-O 3.29Å; W765-M769 HydrophobicContact CD2-CB 3.9Å; W765-M769 HydrophobicContact CE3-CB 3.91Å; W765-M769 HydrophobicContact CH2-CB 3.92Å; W765-M769 HydrophobicContact CH2-CE 3.95Å; W765-M769 HydrophobicContact CH2-SD 4.39Å; W765-M769 HydrophobicContact CZ2-CB 3.91Å; W765-M769 HydrophobicContact CZ2-CE 3.72Å; W765-M769 HydrophobicContact CZ2-CG 4.45Å; W765-M769 HydrophobicContact CZ2-SD 3.71Å; W765-M769 HydrophobicContact CZ3-CB 3.92Å; W765-M769 PolarHBondContact N-O 3Å; W765-M769 VanDerWaalsContact N-O 3.07Å; W765-M769 WeakPolarHBondContact O-CB 3.21Å; W765-M769 PolarHBondContact O-N 3.28Å; G767-M769 VanDerWaalsContact C-N 3.29Å; G767-M769 PolarHBondContact O-N 3.3Å; M769-F781 HydrophobicContact CE-CB 4.49Å; M769-W782 WeakPolarHBondContact CA-O 3.43Å |
| 770 | I | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 137.9 | 179.1 | -50 | 171.5 | 0 | 0 | 0 | 109.3 | I729 T740 L752 L762 Y763 T764 W765 F781 W782 L784 | I729-I770 HydrophobicContact CD1-CD1 3.81Å; I729-I770 HydrophobicContact CD1-CG1 3.95Å; I729-I770 HydrophobicContact CG1-CD1 4.02Å; I729-I770 HydrophobicContact CG2-CD1 3.88Å; I729-I770 HydrophobicContact CG2-CG2 4.22Å; T740-I770 HydrophobicContact CG2-CD1 4.43Å; L752-I770 HydrophobicContact CD1-CD1 4.25Å; L762-I770 HydrophobicContact CD2-CG2 3.98Å; Y763-I770 CarbonylContact O-C 3.55Å; Y763-I770 WeakPolarHBondContact O-CA 3.23Å; T764-I770 HydrophobicContact CG2-CG1 4.5Å; W765-I770 VanDerWaalsContact CZ3-C 3.48Å; I770-F781 CarbonylContact O-C 3.55Å; I770-F781 WeakPolarHBondContact O-CA 3.25Å; I770-W782 HydrophobicContact CB-CB 4.28Å; I770-W782 PolarHBondContact N-O 3.42Å; I770-W782 PolarHBondContact O-N 3.37Å; I770-L784 HydrophobicContact CD1-CD1 3.91Å; I770-L784 HydrophobicContact CD1-CD2 3.87Å; I770-L784 HydrophobicContact CD1-CG 3.79Å |
| 771 | A | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | L762 Y763 W765 V779 R780 F781 | L762-A771 CarbonylContact C-O 3.46Å; L762-A771 WeakPolarHBondContact CA-O 2.99Å; Y763-A771 PolarHBondContact N-O 2.76Å; Y763-A771 PolarHBondContact O-N 2.68Å; W765-A771 HydrophobicContact CE3-CB 4.41Å; W765-A771 HydrophobicContact CH2-CB 4.38Å; W765-A771 HydrophobicContact CZ3-CB 3.64Å; A771-V779 HydrophobicContact CB-CG1 4.45Å; A771-R780 VanDerWaalsContact CA-O 3.31Å; A771-R780 WeakPolarHBondContact CA-O 3.24Å; A771-F781 HydrophobicContact CB-CD1 4.02Å; A771-F781 HydrophobicContact CB-CE1 4.15Å |
| 772 | S | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132 | 175 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | H755 A761 V779 R780 W782 | H755-S772 PolarHBondContact CD2-OG 3.06Å; H755-S772 PolarHBondContact NE2-OG 2.95Å; A761-S772 WeakPolarHBondContact O-CA 3.03Å; S772-V779 CarbonylContact O-C 3.56Å; S772-V779 VanDerWaalsContact O-CA 3.24Å; S772-V779 WeakPolarHBondContact O-CA 3.4Å; S772-R780 PolarHBondContact N-O 3.19Å; S772-R780 PolarHBondContact O-N 2.67Å; S772-W782 PolarHBondContact OG-NE1 3.24Å |
| 773 | G | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L760 A761 V804 | L760-G773 PolarHBondContact N-O 3.26Å; A761-G773 PolarHBondContact N-O 3.41Å; A761-G773 PolarHBondContact O-N 2.82Å; G773-V804 CarbonylContact C-O 3.56Å |
| 774 | S | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 158 | -175 | 171.8 | 0 | 0 | 0 | 0 | 113.9 | H755 G757 H758 D776 K777 T778 V804 | H755-S774 WeakPolarHBondContact CE1-CB 3.36Å; H755-S774 WeakPolarHBondContact ND1-CB 3.43Å; G757-S774 VanDerWaalsContact C-OG 3.25Å; G757-S774 PolarHBondContact O-OG 2.86Å; H758-S774 WeakPolarHBondContact O-CA 3.29Å; H758-S774 PolarHBondContact O-OG 3.27Å; S774-D776 VanDerWaalsContact CB-OD1 3.32Å; S774-D776 WeakPolarHBondContact CB-OD1 3.5Å; S774-D776 PolarHBondContact O-N 3.21Å; S774-D776 PolarHBondContact OG-N 3.01Å; S774-D776 PolarHBondContact OG-OD1 3.4Å; S774-K777 PolarHBondContact O-N 3.47Å; S774-T778 PolarHBondContact N-O 3.37Å; S774-V804 PolarHBondContact O-N 3.44Å |
| 775 | Q | 96.3 | Very high | 92.2 | Very high | 95 Ų | 95 | 36 Ų | 36 | 44% | 0.444 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.2 | 166 | -162.8 | 175 | -5.2 | 0 | 0 | 113 | H758 L760 K777 A803 | H758-Q775 HydrophobicContact CB-CB 4.34Å; H758-Q775 PolarHBondContact CD2-OE1 3.43Å; H758-Q775 VanDerWaalsContact CD2-OE1 3.26Å; H758-Q775 PolarHBondContact O-N 2.85Å; L760-Q775 HydrophobicContact CD1-CB 4.41Å; Q775-K777 PolarHBondContact O-N 3.44Å; Q775-A803 HydrophobicContact CB-CB 4.47Å; Q775-A803 HydrophobicContact CG-CB 4.26Å |
| 776 | D | 94.5 | Very high | 92 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 2.8 | 169.3 | 80.6 | -0.3 | 0 | 0 | 0 | 114.4 | H755 T756 S774 T778 R780 | H755-D776 WeakPolarHBondContact CA-OD2 3.39Å; H755-D776 IonicContact CE1-OD1 3.87Å; H755-D776 IonicContact CE1-OD2 3.46Å; H755-D776 IonicContact CG-OD2 3.26Å; H755-D776 VanDerWaalsContact ND1-CG 3.29Å; H755-D776 IonicContact ND1-OD1 2.45Å; H755-D776 PolarHBondContact ND1-OD1 3.04Å; H755-D776 IonicContact ND1-OD2 2.64Å; H755-D776 PolarHBondContact ND1-OD2 3.36Å; T756-D776 PolarHBondContact N-OD2 3.1Å; T756-D776 VanDerWaalsContact N-OD2 3.13Å; T756-D776 WeakPolarHBondContact OG1-CB 3.45Å; S774-D776 VanDerWaalsContact CB-OD1 3.32Å; S774-D776 WeakPolarHBondContact CB-OD1 3.5Å; S774-D776 PolarHBondContact O-N 3.21Å; S774-D776 PolarHBondContact OG-N 3.01Å; S774-D776 PolarHBondContact OG-OD1 3.4Å; D776-T778 VanDerWaalsContact CG-OG1 3.31Å; D776-T778 PolarHBondContact O-N 3.03Å; D776-T778 WeakPolarHBondContact OD1-CB 3.43Å; D776-T778 PolarHBondContact OD1-N 2.94Å; D776-T778 PolarHBondContact OD1-OG1 3.1Å; D776-T778 PolarHBondContact OD2-OG1 3.16Å; D776-R780 IonicContact OD2-CZ 3.43Å; D776-R780 IonicContact OD2-NE 2.88Å; D776-R780 IonicContact OD2-NH2 3.16Å; D776-R780 PolarHBondContact OD2-NH2 3.28Å; D776-R780 VanDerWaalsContact OD2-NH2 3.15Å |
| 777 | K | 94.7 | Very high | 92.1 | Very high | 92 Ų | 92 | 38.8 Ų | 38.8 | 40% | 0.4 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 70.2 | 17.9 | 176.9 | -48.1 | 162 | 171.1 | -141.4 | 0 | 113.5 | S774 Q775 T795 G801 S802 | S774-K777 PolarHBondContact O-N 3.47Å; Q775-K777 PolarHBondContact O-N 3.44Å; K777-T795 PolarHBondContact O-N 2.88Å; K777-T795 VanDerWaalsContact O-N 3.07Å; K777-T795 PolarHBondContact O-OG1 2.62Å; K777-T795 VanDerWaalsContact O-OG1 3.13Å; K777-G801 WeakPolarHBondContact CD-O 3.38Å; K777-G801 VanDerWaalsContact CE-O 3.24Å; K777-G801 WeakPolarHBondContact CE-O 3.47Å; K777-G801 PolarHBondContact NZ-O 3.28Å; K777-S802 WeakPolarHBondContact CA-O 3.35Å |
| 778 | T | 95 | Very high | 92.3 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 149.5 | 172.3 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | H755 S774 D776 R780 V792 V793 | H755-T778 PolarHBondContact CE1-OG1 3.44Å; H755-T778 VanDerWaalsContact CE1-OG1 3.29Å; H755-T778 PolarHBondContact ND1-OG1 3.21Å; S774-T778 PolarHBondContact N-O 3.37Å; D776-T778 VanDerWaalsContact CG-OG1 3.31Å; D776-T778 PolarHBondContact O-N 3.03Å; D776-T778 WeakPolarHBondContact OD1-CB 3.43Å; D776-T778 PolarHBondContact OD1-N 2.94Å; D776-T778 PolarHBondContact OD1-OG1 3.1Å; D776-T778 PolarHBondContact OD2-OG1 3.16Å; T778-R780 PolarHBondContact OG1-NE 3.45Å; T778-V792 HydrophobicContact CG2-CG1 3.69Å; T778-V793 CarbonylContact C-O 3.58Å; T778-V793 WeakPolarHBondContact CA-O 3.34Å |
| 779 | V | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.1 | 150.1 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | A771 S772 F781 V793 V804 V807 L816 T818 | A771-V779 HydrophobicContact CB-CG1 4.45Å; S772-V779 CarbonylContact O-C 3.56Å; S772-V779 VanDerWaalsContact O-CA 3.24Å; S772-V779 WeakPolarHBondContact O-CA 3.4Å; V779-F781 HydrophobicContact CG1-CD1 4.19Å; V779-F781 HydrophobicContact CG1-CE1 3.87Å; V779-V793 HydrophobicContact CB-CB 4.46Å; V779-V793 PolarHBondContact N-O 3.21Å; V779-V793 PolarHBondContact O-N 3.13Å; V779-V804 HydrophobicContact CG2-CB 4.36Å; V779-V804 HydrophobicContact CG2-CG1 3.9Å; V779-V804 HydrophobicContact CG2-CG2 3.92Å; V779-V807 HydrophobicContact CG1-CG1 4.27Å; V779-V807 HydrophobicContact CG2-CG1 3.8Å; V779-L816 HydrophobicContact CB-CD2 4.34Å; V779-L816 HydrophobicContact CG1-CD1 4.45Å; V779-L816 HydrophobicContact CG1-CD2 3.98Å; V779-L816 HydrophobicContact CG2-CD2 4.37Å; V779-T818 HydrophobicContact CG2-CG2 3.77Å |
| 780 | R | 96.3 | Very high | 92.5 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.2 | 173.4 | -66.3 | -174.5 | -170.8 | -145.5 | 14.1 | 111.1 | G754 H755 A771 S772 D776 T778 W782 R791 V792 | G754-R780 VanDerWaalsContact C-NH1 3.3Å; G754-R780 PolarHBondContact O-NH1 2.92Å; G754-R780 PolarHBondContact O-NH2 3.38Å; H755-R780 VanDerWaalsContact CE1-CD 3.5Å; H755-R780 WeakPolarHBondContact CE1-CD 3.41Å; H755-R780 VanDerWaalsContact CE1-CG 3.5Å; H755-R780 WeakPolarHBondContact CE1-CG 3.44Å; H755-R780 PolarHBondContact ND1-NE 3.29Å; A771-R780 VanDerWaalsContact CA-O 3.31Å; A771-R780 WeakPolarHBondContact CA-O 3.24Å; S772-R780 PolarHBondContact N-O 3.19Å; S772-R780 PolarHBondContact O-N 2.67Å; D776-R780 IonicContact OD2-CZ 3.43Å; D776-R780 IonicContact OD2-NE 2.88Å; D776-R780 IonicContact OD2-NH2 3.16Å; D776-R780 PolarHBondContact OD2-NH2 3.28Å; D776-R780 VanDerWaalsContact OD2-NH2 3.15Å; T778-R780 PolarHBondContact OG1-NE 3.45Å; R780-W782 HydrophobicContact CB-CZ2 3.8Å; R780-W782 HydrophobicContact CG-CZ2 4.4Å; R780-W782 PolarHBondContact O-NE1 2.65Å; R780-R791 WeakPolarHBondContact CA-O 3.4Å; R780-V792 HydrophobicContact CG-CG1 4.27Å; R780-V792 HydrophobicContact CG-CG2 4.2Å |
| 781 | F | 96.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131 | 171 | -59.9 | -21.7 | 0 | 0 | 0 | 109.2 | W765 M769 I770 A771 V779 V790 R791 V793 L816 Y828 I830 | W765-F781 HydrophobicContact CH2-CB 4.23Å; W765-F781 AromaticContact CH2-CD1 3.66Å; W765-F781 HydrophobicContact CH2-CD1 3.66Å; W765-F781 HydrophobicContact CH2-CD2 4.38Å; W765-F781 HydrophobicContact CH2-CE1 4.06Å; W765-F781 AromaticContact CH2-CG 3.85Å; W765-F781 HydrophobicContact CH2-CG 3.85Å; W765-F781 HydrophobicContact CZ3-CD1 4.32Å; M769-F781 HydrophobicContact CE-CB 4.49Å; I770-F781 CarbonylContact O-C 3.55Å; I770-F781 WeakPolarHBondContact O-CA 3.25Å; A771-F781 HydrophobicContact CB-CD1 4.02Å; A771-F781 HydrophobicContact CB-CE1 4.15Å; V779-F781 HydrophobicContact CG1-CD1 4.19Å; V779-F781 HydrophobicContact CG1-CE1 3.87Å; F781-V790 PolarHBondContact O-N 2.86Å; F781-R791 HydrophobicContact CB-CB 4.21Å; F781-R791 HydrophobicContact CD2-CB 3.9Å; F781-R791 HydrophobicContact CD2-CG 4.46Å; F781-R791 HydrophobicContact CG-CB 4.4Å; F781-R791 PolarHBondContact N-O 3.28Å; F781-R791 PolarHBondContact O-N 3.14Å; F781-V793 HydrophobicContact CE2-CG2 4.48Å; F781-L816 HydrophobicContact CE1-CD1 4.2Å; F781-L816 HydrophobicContact CE1-CD2 3.98Å; F781-L816 HydrophobicContact CZ-CB 4.39Å; F781-L816 HydrophobicContact CZ-CD2 3.92Å; F781-Y828 HydrophobicContact CE2-CE1 4.18Å; F781-Y828 HydrophobicContact CZ-CD1 4.48Å; F781-Y828 HydrophobicContact CZ-CE1 4.32Å; F781-I830 HydrophobicContact CE2-CG1 4.24Å; F781-I830 HydrophobicContact CE2-CG2 3.98Å; F781-I830 HydrophobicContact CZ-CD1 4.32Å; F781-I830 HydrophobicContact CZ-CG1 4.03Å |
| 782 | W | 95.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.6 | 178.5 | -42.1 | 79.6 | 0 | 0 | 0 | 108.5 | I738 L752 S753 H755 M769 I770 S772 R780 C789 | I738-W782 HydrophobicContact CD1-CD2 4.26Å; I738-W782 HydrophobicContact CD1-CG 4.34Å; I738-W782 HydrophobicContact CD1-CZ2 4.08Å; I738-W782 VanDerWaalsContact CD1-NE1 3.31Å; L752-W782 HydrophobicContact CB-CD2 4.36Å; L752-W782 HydrophobicContact CB-CE3 3.81Å; L752-W782 HydrophobicContact CB-CH2 4.46Å; L752-W782 HydrophobicContact CB-CZ3 3.87Å; L752-W782 HydrophobicContact CD1-CB 3.92Å; L752-W782 HydrophobicContact CD1-CD2 4.07Å; L752-W782 HydrophobicContact CD1-CE3 4.06Å; L752-W782 HydrophobicContact CD1-CG 4.02Å; L752-W782 HydrophobicContact CG-CE3 4.46Å; S753-W782 VanDerWaalsContact O-CH2 3.3Å; S753-W782 WeakPolarHBondContact O-CH2 3.35Å; S753-W782 WeakPolarHBondContact O-CZ3 3.29Å; H755-W782 AromaticContact CD2-CZ2 3.88Å; M769-W782 WeakPolarHBondContact CA-O 3.43Å; I770-W782 HydrophobicContact CB-CB 4.28Å; I770-W782 PolarHBondContact N-O 3.42Å; I770-W782 PolarHBondContact O-N 3.37Å; S772-W782 PolarHBondContact OG-NE1 3.24Å; R780-W782 HydrophobicContact CB-CZ2 3.8Å; R780-W782 HydrophobicContact CG-CZ2 4.4Å; R780-W782 PolarHBondContact O-NE1 2.65Å; W782-C789 HydrophobicContact CD2-CB 4.41Å; W782-C789 HydrophobicContact CE3-CB 3.88Å; W782-C789 HydrophobicContact CH2-CB 4.09Å; W782-C789 HydrophobicContact CZ3-CB 3.71Å |
| 783 | D | 91.6 | Very high | 92 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.1 | 169.5 | -177.1 | -25.5 | 0 | 0 | 0 | 106.1 | R785 V786 V790 | D783-R785 PolarHBondContact O-N 2.76Å; D783-R785 VanDerWaalsContact OD1-CB 3.3Å; D783-R785 WeakPolarHBondContact OD1-CB 3.33Å; D783-R785 WeakPolarHBondContact OD1-CG 3.41Å; D783-R785 IonicContact OD1-CZ 2.7Å; D783-R785 PolarHBondContact OD1-N 3.35Å; D783-R785 IonicContact OD1-NE 3.97Å; D783-R785 PolarHBondContact OD1-NE 2.91Å; D783-R785 IonicContact OD1-NH2 2.7Å; D783-R785 IonicContact OD2-CZ 2.75Å; D783-R785 IonicContact OD2-NE 3.28Å; D783-R785 PolarHBondContact OD2-NE 2.95Å; D783-R785 IonicContact OD2-NH2 3.12Å; D783-R785 PolarHBondContact OD2-NH2 3.32Å; D783-V786 HydrophobicContact CB-CG2 4.25Å; D783-V786 PolarHBondContact O-N 2.96Å; D783-V790 HydrophobicContact CB-CG2 3.74Å |
| 784 | L | 87.9 | Confident | 91.5 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -4.9 | -175.9 | -71.5 | 172.5 | 0 | 0 | 0 | 114.3 | M718 T740 L752 W768 I770 V786 | M718-L784 HydrophobicContact CE-CD1 3.46Å; M718-L784 VanDerWaalsContact CE-CD1 3.46Å; M718-L784 HydrophobicContact SD-CD1 3.8Å; T740-L784 HydrophobicContact CG2-CD1 4.16Å; T740-L784 HydrophobicContact CG2-CD2 3.64Å; L752-L784 HydrophobicContact CD1-CD2 3.9Å; L752-L784 HydrophobicContact CD2-CD2 4.31Å; L752-L784 HydrophobicContact CG-CD2 4.48Å; W768-L784 HydrophobicContact CE3-CB 3.73Å; W768-L784 HydrophobicContact CE3-CD1 4.03Å; W768-L784 HydrophobicContact CZ3-CB 4.32Å; W768-L784 HydrophobicContact CZ3-CD1 4.43Å; W768-L784 PolarHBondContact O-N 3.33Å; W768-L784 VanDerWaalsContact O-N 3.12Å; I770-L784 HydrophobicContact CD1-CD1 3.91Å; I770-L784 HydrophobicContact CD1-CD2 3.87Å; I770-L784 HydrophobicContact CD1-CG 3.79Å; L784-V786 VanDerWaalsContact C-N 3.3Å |
| 785 | R | 84.9 | Confident | 90.6 | Very high | 164 Ų | 164 | 50.6 Ų | 50.6 | 62% | 0.619 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.4 | 169.3 | -56.6 | 172.7 | -68.7 | 176.7 | 2.2 | 113 | W768 D783 | W768-R785 HydrophobicContact CB-CG 4.32Å; W768-R785 HydrophobicContact CD2-CG 4.34Å; W768-R785 HydrophobicContact CG-CG 3.98Å; D783-R785 PolarHBondContact O-N 2.76Å; D783-R785 VanDerWaalsContact OD1-CB 3.3Å; D783-R785 WeakPolarHBondContact OD1-CB 3.33Å; D783-R785 WeakPolarHBondContact OD1-CG 3.41Å; D783-R785 IonicContact OD1-CZ 2.7Å; D783-R785 PolarHBondContact OD1-N 3.35Å; D783-R785 IonicContact OD1-NE 3.97Å; D783-R785 PolarHBondContact OD1-NE 2.91Å; D783-R785 IonicContact OD1-NH2 2.7Å; D783-R785 IonicContact OD2-CZ 2.75Å; D783-R785 IonicContact OD2-NE 3.28Å; D783-R785 PolarHBondContact OD2-NE 2.95Å; D783-R785 IonicContact OD2-NH2 3.12Å; D783-R785 PolarHBondContact OD2-NH2 3.32Å |
| 786 | V | 85.1 | Confident | 89.2 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 34% | 0.339 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -127.2 | 132.7 | -175.6 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | D783 L784 S788 V790 | D783-V786 HydrophobicContact CB-CG2 4.25Å; D783-V786 PolarHBondContact O-N 2.96Å; L784-V786 VanDerWaalsContact C-N 3.3Å; V786-S788 PolarHBondContact O-N 3.19Å; V786-V790 HydrophobicContact CB-CG2 4.46Å |
| 787 | P | 73.8 | Confident | 87.1 | Confident | 116 Ų | 116 | 55.7 Ų | 55.7 | 75% | 0.753 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -73.8 | 7.5 | -175.7 | 30.7 | -37.1 | 0 | 0 | 0 | 114.6 | ||
| 788 | S | 82.9 | Confident | 84.8 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -141.5 | 162.2 | -171.5 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | V786 V790 | V786-S788 PolarHBondContact O-N 3.19Å; S788-V790 PolarHBondContact O-N 3.38Å |
| 789 | C | 92 | Very high | 82.6 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 127.6 | 170 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | W782 R791 | W782-C789 HydrophobicContact CD2-CB 4.41Å; W782-C789 HydrophobicContact CE3-CB 3.88Å; W782-C789 HydrophobicContact CH2-CB 4.09Å; W782-C789 HydrophobicContact CZ3-CB 3.71Å; C789-R791 PolarHBondContact SG-O 2.99Å; C789-R791 VanDerWaalsContact SG-O 3.33Å |
| 790 | V | 92.9 | Very high | 80.8 | Confident | 79 Ų | 79 | 67.4 Ų | 67.4 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -31.2 | -177.5 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | F781 D783 V786 S788 | F781-V790 PolarHBondContact O-N 2.86Å; D783-V790 HydrophobicContact CB-CG2 3.74Å; V786-V790 HydrophobicContact CB-CG2 4.46Å; S788-V790 PolarHBondContact O-N 3.38Å |
| 791 | R | 92.8 | Very high | 79.9 | Confident | 91 Ų | 91 | 66 Ų | 66 | 34% | 0.343 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 137.5 | 173.9 | -168.4 | -179.8 | -64.5 | 174.2 | 5.3 | 111.5 | R780 F781 C789 V793 Y828 I830 | R780-R791 WeakPolarHBondContact CA-O 3.4Å; F781-R791 HydrophobicContact CB-CB 4.21Å; F781-R791 HydrophobicContact CD2-CB 3.9Å; F781-R791 HydrophobicContact CD2-CG 4.46Å; F781-R791 HydrophobicContact CG-CB 4.4Å; F781-R791 PolarHBondContact N-O 3.28Å; F781-R791 PolarHBondContact O-N 3.14Å; C789-R791 PolarHBondContact SG-O 2.99Å; C789-R791 VanDerWaalsContact SG-O 3.33Å; R791-V793 HydrophobicContact CG-CG2 4.27Å; R791-Y828 PolarHBondContact NH1-OH 3Å; R791-I830 PolarHBondContact NH1-O 2.91Å |
| 792 | V | 94.1 | Very high | 79.6 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.1 | 167.7 | -172 | 0 | 0 | 0 | 0 | 108.9 | T778 R780 | T778-V792 HydrophobicContact CG2-CG1 3.69Å; R780-V792 HydrophobicContact CG-CG1 4.27Å; R780-V792 HydrophobicContact CG-CG2 4.2Å |
| 793 | V | 92.8 | Very high | 79.6 | Confident | 11 Ų | 11 | 67 Ų | 67 | 7% | 0.067 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 112.5 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | T778 V779 F781 R791 M826 Y828 | T778-V793 CarbonylContact C-O 3.58Å; T778-V793 WeakPolarHBondContact CA-O 3.34Å; V779-V793 HydrophobicContact CB-CB 4.46Å; V779-V793 PolarHBondContact N-O 3.21Å; V779-V793 PolarHBondContact O-N 3.13Å; F781-V793 HydrophobicContact CE2-CG2 4.48Å; R791-V793 HydrophobicContact CG-CG2 4.27Å; V793-M826 HydrophobicContact CG1-CE 4.08Å; V793-Y828 HydrophobicContact CG1-CD2 3.86Å; V793-Y828 HydrophobicContact CG1-CE2 3.81Å; V793-Y828 HydrophobicContact CG1-CG 4.37Å; V793-Y828 HydrophobicContact CG2-CE1 3.96Å; V793-Y828 HydrophobicContact CG2-CE2 4.16Å |
| 794 | G | 86.3 | Confident | 79.9 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 148.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T796 | G794-T796 PolarHBondContact O-N 3.42Å |
| 795 | T | 79.9 | Confident | 80.3 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 13% | 0.129 | 38% | 0.378 | C | S | . | . | trans | -83.1 | 9.4 | 173.4 | 60 | 0 | 0 | 0 | 0 | 113.8 | K777 F797 G801 S802 V804 Q820 | K777-T795 PolarHBondContact O-N 2.88Å; K777-T795 VanDerWaalsContact O-N 3.07Å; K777-T795 PolarHBondContact O-OG1 2.62Å; K777-T795 VanDerWaalsContact O-OG1 3.13Å; T795-F797 PolarHBondContact O-N 3.36Å; T795-G801 WeakPolarHBondContact OG1-CA 3.5Å; T795-S802 PolarHBondContact OG1-N 2.71Å; T795-S802 PolarHBondContact OG1-O 2.94Å; T795-V804 HydrophobicContact CG2-CG2 3.42Å; T795-V804 VanDerWaalsContact CG2-CG2 3.42Å; T795-Q820 HydrophobicContact CG2-CG 4.21Å; T795-Q820 VanDerWaalsContact CG2-NE2 3.3Å | ||
| 796 | T | 65.8 | Low | 81 | Confident | 95 Ų | 95 | 58 Ų | 58 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | trans | -77.9 | 103.4 | -173.2 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | G794 | G794-T796 PolarHBondContact O-N 3.42Š| ||
| 797 | F | 50.4 | Low | 81.6 | Confident | 134 Ų | 134 | 55.4 Ų | 55.4 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -117 | 129.5 | 158 | -152.1 | -122.1 | 0 | 0 | 0 | 108 | T795 G799 M835 | T795-F797 PolarHBondContact O-N 3.36Å; F797-G799 PolarHBondContact O-N 2.92Å; F797-M835 HydrophobicContact CD2-CE 4.07Å; F797-M835 HydrophobicContact CE2-CE 4.12Å; F797-M835 HydrophobicContact CG-CE 4.38Å; F797-M835 HydrophobicContact CZ-CE 4.44Å |
| 798 | H | 46.2 | Very low | 82.7 | Confident | 175 Ų | 175 | 49.9 Ų | 49.9 | 81% | 0.81 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 28.2 | -178.8 | -53.5 | -55.3 | 0 | 0 | 0 | 118.6 | ||
| 799 | G | 49.4 | Very low | 83.3 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 67% | 0.67 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.8 | -28.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | F797 | F797-G799 PolarHBondContact O-N 2.92Š|
| 800 | T | 59.6 | Low | 83.4 | Confident | 119 Ų | 119 | 45.8 Ų | 45.8 | 73% | 0.73 | 27% | 0.269 | S | S | * | . | trans | -137.8 | 102.2 | 173.6 | 54.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 801 | G | 76.4 | Confident | 83.2 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | trans | -68.7 | 165.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K777 T795 | K777-G801 WeakPolarHBondContact CD-O 3.38Å; K777-G801 VanDerWaalsContact CE-O 3.24Å; K777-G801 WeakPolarHBondContact CE-O 3.47Å; K777-G801 PolarHBondContact NZ-O 3.28Å; T795-G801 WeakPolarHBondContact OG1-CA 3.5Å | ||
| 802 | S | 92 | Very high | 83 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | trans | -116.1 | 160.8 | 178 | -169.5 | 0 | 0 | 0 | 0 | 113 | K777 T795 D822 | K777-S802 WeakPolarHBondContact CA-O 3.35Å; T795-S802 PolarHBondContact OG1-N 2.71Å; T795-S802 PolarHBondContact OG1-O 2.94Å; S802-D822 WeakPolarHBondContact CB-OD2 3.25Å; S802-D822 PolarHBondContact OG-N 3.46Å; S802-D822 VanDerWaalsContact OG-N 3.14Å | ||
| 803 | A | 95.3 | Very high | 82.9 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | trans | -62.8 | 137.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | Q775 A805 Q820 E821 | Q775-A803 HydrophobicContact CB-CB 4.47Å; Q775-A803 HydrophobicContact CG-CB 4.26Å; A803-A805 PolarHBondContact O-N 2.98Å; A803-Q820 WeakPolarHBondContact O-CA 3.45Å; A803-E821 HydrophobicContact CB-CB 4.3Å; A803-E821 HydrophobicContact CB-CG 4.01Å; A803-E821 WeakPolarHBondContact CB-OE2 3.47Å; A803-E821 PolarHBondContact O-N 3.1Å | ||
| 804 | V | 97.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 99.8 | -178.9 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | G773 S774 V779 T795 S806 V807 G819 | G773-V804 CarbonylContact C-O 3.56Å; S774-V804 PolarHBondContact O-N 3.44Å; V779-V804 HydrophobicContact CG2-CB 4.36Å; V779-V804 HydrophobicContact CG2-CG1 3.9Å; V779-V804 HydrophobicContact CG2-CG2 3.92Å; T795-V804 HydrophobicContact CG2-CG2 3.42Å; T795-V804 VanDerWaalsContact CG2-CG2 3.42Å; V804-S806 VanDerWaalsContact CG1-O 3.31Å; V804-S806 WeakPolarHBondContact CG1-O 3.37Å; V804-V807 HydrophobicContact CG1-CG1 3.61Å; V804-G819 CarbonylContact C-O 3.6Å |
| 805 | A | 97.3 | Very high | 83.2 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -20.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | A803 G819 E821 R847 | A803-A805 PolarHBondContact O-N 2.98Å; A805-G819 PolarHBondContact N-O 3.45Å; A805-E821 HydrophobicContact CB-CG 3.85Å; A805-R847 VanDerWaalsContact CB-CZ 3.48Å |
| 806 | S | 97.8 | Very high | 84 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 146.9 | 177.9 | -144.4 | 0 | 0 | 0 | 0 | 112.7 | V804 T818 G819 R847 S848 V849 | V804-S806 VanDerWaalsContact CG1-O 3.31Å; V804-S806 WeakPolarHBondContact CG1-O 3.37Å; S806-T818 CarbonylContact O-C 3.58Å; S806-T818 WeakPolarHBondContact O-CA 3.49Å; S806-G819 PolarHBondContact N-O 3.02Å; S806-G819 VanDerWaalsContact N-O 3.13Å; S806-G819 PolarHBondContact O-N 3.25Å; S806-R847 PolarHBondContact OG-O 3.39Å; S806-S848 WeakPolarHBondContact OG-CA 3.49Å; S806-V849 PolarHBondContact OG-N 3.12Å; S806-V849 VanDerWaalsContact OG-N 3.14Å |
| 807 | V | 98.1 | Very high | 85.5 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.3 | 172.9 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | A761 V779 V804 T818 | A761-V807 HydrophobicContact CB-CG2 3.95Å; V779-V807 HydrophobicContact CG1-CG1 4.27Å; V779-V807 HydrophobicContact CG2-CG1 3.8Å; V804-V807 HydrophobicContact CG1-CG1 3.61Å; V807-T818 HydrophobicContact CG1-CG2 4.33Å |
| 808 | A | 97.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 143.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y763 A817 V849 F851 | Y763-A808 HydrophobicContact CD2-CB 4.1Å; Y763-A808 HydrophobicContact CE2-CB 4.07Å; A808-A817 PolarHBondContact N-O 3.41Å; A808-A817 PolarHBondContact O-N 3.06Å; A808-A817 VanDerWaalsContact O-O 3.1Å; A808-V849 WeakPolarHBondContact CB-O 3.47Å; A808-F851 HydrophobicContact CB-CD2 4.05Å; A808-F851 HydrophobicContact CB-CE2 4.35Å |
| 809 | V | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 146.8 | 168.6 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | Y763 W765 L815 L816 I830 | Y763-V809 HydrophobicContact CD1-CB 3.84Å; Y763-V809 HydrophobicContact CD1-CG2 4.12Å; Y763-V809 HydrophobicContact CE1-CB 3.85Å; Y763-V809 WeakPolarHBondContact CE1-O 3.48Å; Y763-V809 VanDerWaalsContact CZ-O 3.32Å; Y763-V809 PolarHBondContact OH-O 3.06Å; W765-V809 HydrophobicContact CB-CB 4.29Å; W765-V809 HydrophobicContact CB-CG1 4.26Å; W765-V809 HydrophobicContact CD2-CB 4.11Å; W765-V809 HydrophobicContact CD2-CG1 3.98Å; W765-V809 HydrophobicContact CD2-CG2 3.93Å; W765-V809 HydrophobicContact CE3-CB 4.34Å; W765-V809 HydrophobicContact CE3-CG2 3.8Å; W765-V809 HydrophobicContact CG-CB 4.09Å; W765-V809 HydrophobicContact CG-CG1 3.76Å; W765-V809 HydrophobicContact CG-CG2 4.44Å; W765-V809 HydrophobicContact CZ3-CG2 4.11Å; V809-L815 WeakPolarHBondContact CA-O 3.47Å; V809-L816 HydrophobicContact CG2-CD1 3.87Å; V809-I830 HydrophobicContact CB-CD1 4.39Å; V809-I830 HydrophobicContact CG1-CD1 3.5Å; V809-I830 HydrophobicContact CG2-CD1 3.97Å |
| 810 | D | 93.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | trans | -72.2 | 160.7 | 177.4 | 91.9 | -74.6 | 0 | 0 | 0 | 112 | S812 G813 R814 L815 F851 A855 | D810-S812 PolarHBondContact O-N 3.2Å; D810-S812 VanDerWaalsContact O-N 3.13Å; D810-S812 PolarHBondContact OD1-OG 3.26Å; D810-S812 WeakPolarHBondContact OD2-CA 3.46Å; D810-S812 VanDerWaalsContact OD2-CB 3.22Å; D810-S812 WeakPolarHBondContact OD2-CB 3.34Å; D810-S812 PolarHBondContact OD2-N 3.4Å; D810-S812 PolarHBondContact OD2-OG 2.77Å; D810-G813 PolarHBondContact O-N 3.22Å; D810-G813 PolarHBondContact OD1-N 3.49Å; D810-R814 WeakPolarHBondContact OD1-CA 3.29Å; D810-R814 PolarHBondContact OD1-N 2.92Å; D810-L815 HydrophobicContact CB-CB 4.37Å; D810-L815 PolarHBondContact N-O 3.49Å; D810-L815 PolarHBondContact OD1-N 3.13Å; D810-F851 HydrophobicContact CB-CD1 4.15Å; D810-F851 HydrophobicContact CB-CD2 3.97Å; D810-F851 HydrophobicContact CB-CE1 4.1Å; D810-F851 HydrophobicContact CB-CE2 3.93Å; D810-F851 HydrophobicContact CB-CG 4.08Å; D810-F851 HydrophobicContact CB-CZ 3.99Å; D810-F851 VanDerWaalsContact N-CE2 3.34Å; D810-A855 HydrophobicContact CB-CB 4.2Å | ||
| 811 | P | 89.1 | Confident | 94.1 | Very high | 86 Ų | 86 | 20.6 Ų | 20.6 | 56% | 0.558 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.3 | -178.7 | -22.8 | 35.6 | 0 | 0 | 0 | 115.1 | ||
| 812 | S | 88.8 | Confident | 95 | Very high | 63 Ų | 63 | 23.5 Ų | 23.5 | 44% | 0.441 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.4 | 176.1 | 78.5 | 0 | 0 | 0 | 0 | 114.4 | D810 R814 R831 | D810-S812 PolarHBondContact O-N 3.2Å; D810-S812 VanDerWaalsContact O-N 3.13Å; D810-S812 PolarHBondContact OD1-OG 3.26Å; D810-S812 WeakPolarHBondContact OD2-CA 3.46Å; D810-S812 VanDerWaalsContact OD2-CB 3.22Å; D810-S812 WeakPolarHBondContact OD2-CB 3.34Å; D810-S812 PolarHBondContact OD2-N 3.4Å; D810-S812 PolarHBondContact OD2-OG 2.77Å; S812-R814 VanDerWaalsContact C-N 3.26Å; S812-R814 PolarHBondContact O-N 3.28Å; S812-R814 WeakPolarHBondContact OG-CB 3.41Å; S812-R831 PolarHBondContact O-NH2 3.44Å |
| 813 | G | 90.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 64.8 | 28.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D810 | D810-G813 PolarHBondContact O-N 3.22Å; D810-G813 PolarHBondContact OD1-N 3.49Å |
| 814 | R | 91.3 | Very high | 95 | Very high | 136 Ų | 136 | 23.4 Ų | 23.4 | 51% | 0.513 | 13% | 0.128 | S | C | . | . | trans | -104.9 | -40.5 | -177.6 | -177.1 | -178.7 | 175.9 | -175.1 | -1.7 | 112.6 | D810 S812 D829 I830 | D810-R814 WeakPolarHBondContact OD1-CA 3.29Å; D810-R814 PolarHBondContact OD1-N 2.92Å; S812-R814 VanDerWaalsContact C-N 3.26Å; S812-R814 PolarHBondContact O-N 3.28Å; S812-R814 WeakPolarHBondContact OG-CB 3.41Å; R814-D829 IonicContact CZ-OD2 2.62Å; R814-D829 IonicContact NE-OD2 3.7Å; R814-D829 PolarHBondContact NE-OD2 2.81Å; R814-D829 IonicContact NH2-OD2 2.71Å; R814-D829 PolarHBondContact NH2-OD2 3.14Å; R814-D829 CarbonylContact O-C 3.58Å; R814-D829 WeakPolarHBondContact O-CA 3.47Å; R814-I830 WeakPolarHBondContact O-CB 3.38Å; R814-I830 PolarHBondContact O-N 3.4Å | ||
| 815 | L | 94.4 | Very high | 94.9 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 119.4 | -170.7 | -162.7 | 71.4 | 0 | 0 | 0 | 110.6 | V809 D810 L827 V836 F851 L876 | V809-L815 WeakPolarHBondContact CA-O 3.47Å; D810-L815 HydrophobicContact CB-CB 4.37Å; D810-L815 PolarHBondContact N-O 3.49Å; D810-L815 PolarHBondContact OD1-N 3.13Å; L815-L827 HydrophobicContact CD1-CB 4.38Å; L815-L827 HydrophobicContact CD2-CD2 4.31Å; L815-V836 HydrophobicContact CD1-CG2 4Å; L815-F851 HydrophobicContact CB-CZ 4.22Å; L815-F851 HydrophobicContact CD2-CE1 4.01Å; L815-F851 HydrophobicContact CD2-CZ 4Å; L815-F851 HydrophobicContact CG-CZ 4.18Å; L815-F851 WeakPolarHBondContact O-CE2 3.26Å; L815-L876 HydrophobicContact CD2-CD1 4.04Å |
| 816 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.9 | 164.3 | 173.1 | 76.4 | 0 | 0 | 0 | 108.2 | V779 F781 V809 T818 L827 Y828 I830 | V779-L816 HydrophobicContact CB-CD2 4.34Å; V779-L816 HydrophobicContact CG1-CD1 4.45Å; V779-L816 HydrophobicContact CG1-CD2 3.98Å; V779-L816 HydrophobicContact CG2-CD2 4.37Å; F781-L816 HydrophobicContact CE1-CD1 4.2Å; F781-L816 HydrophobicContact CE1-CD2 3.98Å; F781-L816 HydrophobicContact CZ-CB 4.39Å; F781-L816 HydrophobicContact CZ-CD2 3.92Å; V809-L816 HydrophobicContact CG2-CD1 3.87Å; L816-T818 HydrophobicContact CD1-CG2 4.23Å; L816-T818 HydrophobicContact CD2-CG2 3.71Å; L816-T818 HydrophobicContact CG-CG2 3.79Å; L816-L827 CarbonylContact O-C 3.59Å; L816-L827 WeakPolarHBondContact O-CA 3.25Å; L816-Y828 HydrophobicContact CB-CD1 4.28Å; L816-Y828 HydrophobicContact CD2-CD1 4.32Å; L816-Y828 PolarHBondContact N-O 3.15Å; L816-Y828 PolarHBondContact O-N 3.37Å; L816-I830 HydrophobicContact CB-CD1 4.1Å; L816-I830 HydrophobicContact CB-CG1 4.01Å |
| 817 | A | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A808 M826 L827 V849 F851 L858 | A808-A817 PolarHBondContact N-O 3.41Å; A808-A817 PolarHBondContact O-N 3.06Å; A808-A817 VanDerWaalsContact O-O 3.1Å; A817-M826 WeakPolarHBondContact CA-O 3.5Å; A817-L827 HydrophobicContact CB-CD2 3.68Å; A817-V849 HydrophobicContact CB-CG1 3.7Å; A817-F851 HydrophobicContact CB-CE1 4.41Å; A817-F851 HydrophobicContact CB-CE2 3.64Å; A817-F851 HydrophobicContact CB-CZ 3.54Å; A817-L858 HydrophobicContact CB-CD1 3.65Å; A817-L858 HydrophobicContact CB-CD2 4.08Å |
| 818 | T | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 151.2 | -178.4 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | V779 S806 V807 L816 Q820 C825 M826 | V779-T818 HydrophobicContact CG2-CG2 3.77Å; S806-T818 CarbonylContact O-C 3.58Å; S806-T818 WeakPolarHBondContact O-CA 3.49Å; V807-T818 HydrophobicContact CG1-CG2 4.33Å; L816-T818 HydrophobicContact CD1-CG2 4.23Å; L816-T818 HydrophobicContact CD2-CG2 3.71Å; L816-T818 HydrophobicContact CG-CG2 3.79Å; T818-Q820 PolarHBondContact O-OE1 3.22Å; T818-Q820 PolarHBondContact OG1-NE2 3.02Å; T818-Q820 PolarHBondContact OG1-OE1 3.45Å; T818-C825 VanDerWaalsContact O-CA 3.22Å; T818-C825 WeakPolarHBondContact O-CA 3.49Å; T818-C825 WeakPolarHBondContact O-CB 3.43Å; T818-C825 PolarHBondContact O-SG 3.41Å; T818-M826 HydrophobicContact CG2-CE 3.96Å; T818-M826 PolarHBondContact N-O 2.99Å; T818-M826 PolarHBondContact O-N 2.96Å; T818-M826 WeakPolarHBondContact OG1-CB 3.1Å; T818-M826 PolarHBondContact OG1-N 3.34Å; T818-M826 PolarHBondContact OG1-O 3.19Å |
| 819 | G | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V804 A805 S806 V846 | V804-G819 CarbonylContact C-O 3.6Å; A805-G819 PolarHBondContact N-O 3.45Å; S806-G819 PolarHBondContact N-O 3.02Å; S806-G819 VanDerWaalsContact N-O 3.13Å; S806-G819 PolarHBondContact O-N 3.25Å; G819-V846 CarbonylContact C-O 3.57Å |
| 820 | Q | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 157.2 | -172.2 | -79.2 | 71.4 | 11 | 0 | 0 | 112.5 | T795 A803 T818 D822 S823 S824 V846 | T795-Q820 HydrophobicContact CG2-CG 4.21Å; T795-Q820 VanDerWaalsContact CG2-NE2 3.3Å; A803-Q820 WeakPolarHBondContact O-CA 3.45Å; T818-Q820 PolarHBondContact O-OE1 3.22Å; T818-Q820 PolarHBondContact OG1-NE2 3.02Å; T818-Q820 PolarHBondContact OG1-OE1 3.45Å; Q820-D822 WeakPolarHBondContact CB-OD1 3.3Å; Q820-D822 PolarHBondContact O-N 3.07Å; Q820-S823 PolarHBondContact O-N 3.46Å; Q820-S824 WeakPolarHBondContact CB-OG 3.5Å; Q820-S824 WeakPolarHBondContact CG-OG 3.44Å; Q820-S824 PolarHBondContact N-O 3.29Å; Q820-S824 PolarHBondContact OE1-O 3.46Å; Q820-V846 PolarHBondContact O-N 2.71Å |
| 821 | E | 95.7 | Very high | 94 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.4 | 174.6 | -62.5 | -171.5 | 159.4 | 0 | 0 | 113.1 | A803 A805 S823 R847 | A803-E821 HydrophobicContact CB-CB 4.3Å; A803-E821 HydrophobicContact CB-CG 4.01Å; A803-E821 WeakPolarHBondContact CB-OE2 3.47Å; A803-E821 PolarHBondContact O-N 3.1Å; A805-E821 HydrophobicContact CB-CG 3.85Å; E821-S823 VanDerWaalsContact C-N 3.3Å; E821-S823 PolarHBondContact O-N 3.17Å; E821-R847 IonicContact OE1-CZ 3.76Å; E821-R847 IonicContact OE1-NH1 3.2Å; E821-R847 PolarHBondContact OE1-NH1 2.97Å; E821-R847 IonicContact OE1-NH2 2.67Å |
| 822 | D | 93.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 31.7 Ų | 31.7 | 35% | 0.353 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 12.6 | 172.5 | 64.3 | 9 | 0 | 0 | 0 | 114.1 | S802 Q820 S824 | S802-D822 WeakPolarHBondContact CB-OD2 3.25Å; S802-D822 PolarHBondContact OG-N 3.46Å; S802-D822 VanDerWaalsContact OG-N 3.14Å; Q820-D822 WeakPolarHBondContact CB-OD1 3.3Å; Q820-D822 PolarHBondContact O-N 3.07Å; D822-S824 VanDerWaalsContact C-N 3.26Å; D822-S824 PolarHBondContact O-N 3.18Å; D822-S824 VanDerWaalsContact OD1-CB 3.22Å; D822-S824 WeakPolarHBondContact OD1-CB 3.28Å; D822-S824 PolarHBondContact OD1-N 3.16Å; D822-S824 PolarHBondContact OD1-OG 2.87Å |
| 823 | S | 94.7 | Very high | 94 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 70.5 | 1.3 | -173.2 | 77 | 0 | 0 | 0 | 0 | 117.1 | Q820 E821 H842 S844 | Q820-S823 PolarHBondContact O-N 3.46Å; E821-S823 VanDerWaalsContact C-N 3.3Å; E821-S823 PolarHBondContact O-N 3.17Å; S823-H842 WeakPolarHBondContact CB-O 3.47Å; S823-H842 PolarHBondContact OG-O 3.05Å; S823-S844 WeakPolarHBondContact CA-O 3.5Å; S823-S844 VanDerWaalsContact CB-O 3.23Å; S823-S844 WeakPolarHBondContact CB-O 3.38Å |
| 824 | S | 94.1 | Very high | 94 | Very high | 8 Ų | 8 | 38 Ų | 38 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | trans | -76.9 | 162.9 | 172.8 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | Q820 D822 Y839 | Q820-S824 WeakPolarHBondContact CB-OG 3.5Å; Q820-S824 WeakPolarHBondContact CG-OG 3.44Å; Q820-S824 PolarHBondContact N-O 3.29Å; Q820-S824 PolarHBondContact OE1-O 3.46Å; D822-S824 VanDerWaalsContact C-N 3.26Å; D822-S824 PolarHBondContact O-N 3.18Å; D822-S824 VanDerWaalsContact OD1-CB 3.22Å; D822-S824 WeakPolarHBondContact OD1-CB 3.28Å; D822-S824 PolarHBondContact OD1-N 3.16Å; D822-S824 PolarHBondContact OD1-OG 2.87Å; S824-Y839 CarbonylContact C-O 3.52Å; S824-Y839 WeakPolarHBondContact CA-O 3.36Å | ||
| 825 | C | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.9 | 162.9 | -84.5 | 0 | 0 | 0 | 0 | 109.3 | T818 S838 Y839 P841 | T818-C825 VanDerWaalsContact O-CA 3.22Å; T818-C825 WeakPolarHBondContact O-CA 3.49Å; T818-C825 WeakPolarHBondContact O-CB 3.43Å; T818-C825 PolarHBondContact O-SG 3.41Å; C825-S838 WeakPolarHBondContact O-CA 3.37Å; C825-Y839 HydrophobicContact CB-CD1 4.23Å; C825-Y839 HydrophobicContact CB-CE1 3.81Å; C825-Y839 PolarHBondContact N-O 3.49Å; C825-Y839 WeakPolarHBondContact O-CD1 3.47Å; C825-Y839 PolarHBondContact O-N 3.38Å; C825-P841 HydrophobicContact CB-CG 3.86Å |
| 826 | M | 94.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.054 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134.6 | 175.8 | 173.2 | -170.5 | 69.5 | 0 | 0 | 110.5 | V793 A817 T818 M835 Q837 | V793-M826 HydrophobicContact CG1-CE 4.08Å; A817-M826 WeakPolarHBondContact CA-O 3.5Å; T818-M826 HydrophobicContact CG2-CE 3.96Å; T818-M826 PolarHBondContact N-O 2.99Å; T818-M826 PolarHBondContact O-N 2.96Å; T818-M826 WeakPolarHBondContact OG1-CB 3.1Å; T818-M826 PolarHBondContact OG1-N 3.34Å; T818-M826 PolarHBondContact OG1-O 3.19Å; M826-M835 HydrophobicContact CG-CG 3.9Å; M826-M835 HydrophobicContact CG-SD 3.92Å; M826-M835 HydrophobicContact SD-CG 4.32Å; M826-M835 HydrophobicContact SD-SD 4.14Å; M826-Q837 WeakPolarHBondContact CA-O 3.44Å |
| 827 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132 | 167.8 | -61.6 | -178.3 | 0 | 0 | 0 | 109.3 | L815 L816 A817 V836 Q837 Y839 L858 L872 L880 | L815-L827 HydrophobicContact CD1-CB 4.38Å; L815-L827 HydrophobicContact CD2-CD2 4.31Å; L816-L827 CarbonylContact O-C 3.59Å; L816-L827 WeakPolarHBondContact O-CA 3.25Å; A817-L827 HydrophobicContact CB-CD2 3.68Å; L827-V836 HydrophobicContact CB-CB 4.32Å; L827-V836 PolarHBondContact O-N 3.03Å; L827-Q837 PolarHBondContact N-O 2.9Å; L827-Q837 PolarHBondContact O-N 2.98Å; L827-Y839 HydrophobicContact CD1-CE1 4.48Å; L827-Y839 HydrophobicContact CG-CE1 4.3Å; L827-L858 HydrophobicContact CD2-CD2 4.32Å; L827-L872 HydrophobicContact CD1-CD2 4.24Å; L827-L880 HydrophobicContact CD1-CD1 3.85Å |
| 828 | Y | 95.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 125.2 | -172.9 | 173.9 | -86.6 | 0 | 0 | 0 | 111.4 | F781 R791 V793 L816 I830 G833 R834 | F781-Y828 HydrophobicContact CE2-CE1 4.18Å; F781-Y828 HydrophobicContact CZ-CD1 4.48Å; F781-Y828 HydrophobicContact CZ-CE1 4.32Å; R791-Y828 PolarHBondContact NH1-OH 3Å; V793-Y828 HydrophobicContact CG1-CD2 3.86Å; V793-Y828 HydrophobicContact CG1-CE2 3.81Å; V793-Y828 HydrophobicContact CG1-CG 4.37Å; V793-Y828 HydrophobicContact CG2-CE1 3.96Å; V793-Y828 HydrophobicContact CG2-CE2 4.16Å; L816-Y828 HydrophobicContact CB-CD1 4.28Å; L816-Y828 HydrophobicContact CD2-CD1 4.32Å; L816-Y828 PolarHBondContact N-O 3.15Å; L816-Y828 PolarHBondContact O-N 3.37Å; Y828-I830 HydrophobicContact CD1-CG1 4.33Å; Y828-I830 PolarHBondContact O-N 2.98Å; Y828-G833 WeakPolarHBondContact CE2-O 3.41Å; Y828-G833 VanDerWaalsContact CZ-C 3.45Å; Y828-G833 WeakPolarHBondContact OH-CA 3.47Å; Y828-G833 PolarHBondContact OH-O 2.84Å; Y828-R834 CarbonylContact C-O 3.53Å; Y828-R834 WeakPolarHBondContact CD2-O 3.22Å |
| 829 | D | 93.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 108.6 | 176.9 | -168.8 | -38.7 | 0 | 0 | 0 | 108.8 | R814 R831 G832 G833 R834 V836 | R814-D829 IonicContact CZ-OD2 2.62Å; R814-D829 IonicContact NE-OD2 3.7Å; R814-D829 PolarHBondContact NE-OD2 2.81Å; R814-D829 IonicContact NH2-OD2 2.71Å; R814-D829 PolarHBondContact NH2-OD2 3.14Å; R814-D829 CarbonylContact O-C 3.58Å; R814-D829 WeakPolarHBondContact O-CA 3.47Å; D829-R831 VanDerWaalsContact C-N 3.29Å; D829-R831 PolarHBondContact O-N 3.16Å; D829-R831 PolarHBondContact OD1-N 3.27Å; D829-G832 PolarHBondContact OD1-N 3.1Å; D829-G833 WeakPolarHBondContact O-CA 3.27Å; D829-G833 PolarHBondContact O-N 3.28Å; D829-R834 HydrophobicContact CB-CG 4.42Å; D829-R834 PolarHBondContact N-O 3.5Å; D829-R834 PolarHBondContact O-N 3.03Å; D829-V836 HydrophobicContact CB-CG2 3.85Å |
| 830 | I | 92.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -37.6 | -178.1 | -59.6 | 176 | 0 | 0 | 0 | 110.7 | W765 F781 R791 V809 R814 L816 Y828 | W765-I830 HydrophobicContact CZ2-CD1 4.3Å; F781-I830 HydrophobicContact CE2-CG1 4.24Å; F781-I830 HydrophobicContact CE2-CG2 3.98Å; F781-I830 HydrophobicContact CZ-CD1 4.32Å; F781-I830 HydrophobicContact CZ-CG1 4.03Å; R791-I830 PolarHBondContact NH1-O 2.91Å; V809-I830 HydrophobicContact CB-CD1 4.39Å; V809-I830 HydrophobicContact CG1-CD1 3.5Å; V809-I830 HydrophobicContact CG2-CD1 3.97Å; R814-I830 WeakPolarHBondContact O-CB 3.38Å; R814-I830 PolarHBondContact O-N 3.4Å; L816-I830 HydrophobicContact CB-CD1 4.1Å; L816-I830 HydrophobicContact CB-CG1 4.01Å; Y828-I830 HydrophobicContact CD1-CG1 4.33Å; Y828-I830 PolarHBondContact O-N 2.98Å |
| 831 | R | 88.9 | Confident | 93 | Very high | 184 Ų | 184 | 47.2 Ų | 47.2 | 69% | 0.694 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -45.4 | -179.4 | -58.1 | -172.5 | -172 | -165.7 | 5.4 | 110.8 | S812 D829 G833 | S812-R831 PolarHBondContact O-NH2 3.44Å; D829-R831 VanDerWaalsContact C-N 3.29Å; D829-R831 PolarHBondContact O-N 3.16Å; D829-R831 PolarHBondContact OD1-N 3.27Å; R831-G833 VanDerWaalsContact C-N 3.26Å; R831-G833 PolarHBondContact O-N 2.71Å |
| 832 | G | 87 | Confident | 93.1 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 45% | 0.454 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | D829 R834 | D829-G832 PolarHBondContact OD1-N 3.1Å; G832-R834 PolarHBondContact O-N 3.43Å |
| 833 | G | 91 | Very high | 93.2 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 12.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y828 D829 R831 | Y828-G833 WeakPolarHBondContact CE2-O 3.41Å; Y828-G833 VanDerWaalsContact CZ-C 3.45Å; Y828-G833 WeakPolarHBondContact OH-CA 3.47Å; Y828-G833 PolarHBondContact OH-O 2.84Å; D829-G833 WeakPolarHBondContact O-CA 3.27Å; D829-G833 PolarHBondContact O-N 3.28Å; R831-G833 VanDerWaalsContact C-N 3.26Å; R831-G833 PolarHBondContact O-N 2.71Å |
| 834 | R | 90.1 | Very high | 93.3 | Very high | 163 Ų | 163 | 47 Ų | 47 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 148.3 | -162.5 | 66.5 | -172.7 | -178.9 | -166.3 | 0.3 | 113.2 | Y828 D829 G832 V836 | Y828-R834 CarbonylContact C-O 3.53Å; Y828-R834 WeakPolarHBondContact CD2-O 3.22Å; D829-R834 HydrophobicContact CB-CG 4.42Å; D829-R834 PolarHBondContact N-O 3.5Å; D829-R834 PolarHBondContact O-N 3.03Å; G832-R834 PolarHBondContact O-N 3.43Å; R834-V836 PolarHBondContact O-N 3.37Å |
| 835 | M | 91.1 | Very high | 93.5 | Very high | 74 Ų | 74 | 48.2 Ų | 48.2 | 37% | 0.365 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 134.1 | 164.9 | -176.4 | 171.9 | 72 | 0 | 0 | 109.3 | F797 M826 | F797-M835 HydrophobicContact CD2-CE 4.07Å; F797-M835 HydrophobicContact CE2-CE 4.12Å; F797-M835 HydrophobicContact CG-CE 4.38Å; F797-M835 HydrophobicContact CZ-CE 4.44Å; M826-M835 HydrophobicContact CG-CG 3.9Å; M826-M835 HydrophobicContact CG-SD 3.92Å; M826-M835 HydrophobicContact SD-CG 4.32Å; M826-M835 HydrophobicContact SD-SD 4.14Å |
| 836 | V | 92.3 | Very high | 93.6 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 24% | 0.242 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -46.4 | 172.2 | 180 | 0 | 0 | 0 | 0 | 109.3 | L815 L827 D829 R834 L876 | L815-V836 HydrophobicContact CD1-CG2 4Å; L827-V836 HydrophobicContact CB-CB 4.32Å; L827-V836 PolarHBondContact O-N 3.03Å; D829-V836 HydrophobicContact CB-CG2 3.85Å; R834-V836 PolarHBondContact O-N 3.37Å; V836-L876 HydrophobicContact CG1-CB 3.73Å |
| 837 | Q | 91.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 152.1 | -179.4 | -169 | 174.9 | 65.8 | 0 | 0 | 110.8 | M826 L827 T877 K878 L880 | M826-Q837 WeakPolarHBondContact CA-O 3.44Å; L827-Q837 PolarHBondContact N-O 2.9Å; L827-Q837 PolarHBondContact O-N 2.98Å; Q837-T877 PolarHBondContact NE2-O 2.88Å; Q837-K878 PolarHBondContact NE2-O 3.22Å; Q837-L880 VanDerWaalsContact OE1-CD1 3.23Å |
| 838 | S | 91.9 | Very high | 93.8 | Very high | 54 Ų | 54 | 49.2 Ų | 49.2 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.8 | 157.8 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | C825 | C825-S838 WeakPolarHBondContact O-CA 3.37Å |
| 839 | Y | 94 | Very high | 94 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 11% | 0.106 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 163.7 | -176 | 70.4 | -71.2 | 0 | 0 | 0 | 110.8 | S824 C825 L827 P841 T870 L880 L882 | S824-Y839 CarbonylContact C-O 3.52Å; S824-Y839 WeakPolarHBondContact CA-O 3.36Å; C825-Y839 HydrophobicContact CB-CD1 4.23Å; C825-Y839 HydrophobicContact CB-CE1 3.81Å; C825-Y839 PolarHBondContact N-O 3.49Å; C825-Y839 WeakPolarHBondContact O-CD1 3.47Å; C825-Y839 PolarHBondContact O-N 3.38Å; L827-Y839 HydrophobicContact CD1-CE1 4.48Å; L827-Y839 HydrophobicContact CG-CE1 4.3Å; Y839-P841 HydrophobicContact CD2-CB 4.22Å; Y839-P841 HydrophobicContact CD2-CG 4.42Å; Y839-P841 HydrophobicContact CE2-CB 3.81Å; Y839-P841 HydrophobicContact CE2-CG 4.12Å; Y839-P841 WeakPolarHBondContact O-CD 3.27Å; Y839-T870 HydrophobicContact CE2-CG2 4.28Å; Y839-T870 PolarHBondContact OH-OG1 3.17Å; Y839-T870 VanDerWaalsContact OH-OG1 3.14Å; Y839-L880 HydrophobicContact CE1-CD1 4.08Å; Y839-L880 HydrophobicContact CE2-CD1 4.49Å; Y839-L882 HydrophobicContact CD2-CD1 4.4Å; Y839-L882 HydrophobicContact CE2-CD1 4.03Å; Y839-L882 HydrophobicContact CE2-CD2 4.28Å |
| 840 | H | 94.9 | Very high | 94.2 | Very high | 125 Ų | 125 | 50.6 Ų | 50.6 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | trans | -111.1 | 85.6 | -178.3 | -65.3 | 81.3 | 0 | 0 | 0 | 109.7 | H842 | H840-H842 VanDerWaalsContact C-N 3.27Å; H840-H842 PolarHBondContact O-N 3.33Å | ||
| 841 | P | 94.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -67.9 | -26.2 | -179.2 | 25.2 | -33.9 | 0 | 0 | 0 | 113.2 | C825 Y839 V846 K868 L882 | C825-P841 HydrophobicContact CB-CG 3.86Å; Y839-P841 HydrophobicContact CD2-CB 4.22Å; Y839-P841 HydrophobicContact CD2-CG 4.42Å; Y839-P841 HydrophobicContact CE2-CB 3.81Å; Y839-P841 HydrophobicContact CE2-CG 4.12Å; Y839-P841 WeakPolarHBondContact O-CD 3.27Å; P841-V846 HydrophobicContact CG-CG2 4.17Å; P841-K868 WeakPolarHBondContact O-CD 3.46Å; P841-K868 WeakPolarHBondContact O-CE 3.43Å; P841-K868 PolarHBondContact O-NZ 3.06Å; P841-L882 HydrophobicContact CB-CD2 3.66Å | ||
| 842 | H | 96.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -129.5 | 173.7 | -171.8 | -73.4 | -84.8 | 0 | 0 | 0 | 111.5 | S823 H840 V846 T860 S862 D864 K866 | S823-H842 WeakPolarHBondContact CB-O 3.47Å; S823-H842 PolarHBondContact OG-O 3.05Å; H840-H842 VanDerWaalsContact C-N 3.27Å; H840-H842 PolarHBondContact O-N 3.33Å; H842-V846 HydrophobicContact CB-CG2 4.17Å; H842-T860 PolarHBondContact CD2-OG1 3.5Å; H842-T860 WeakPolarHBondContact NE2-CB 3.42Å; H842-T860 PolarHBondContact NE2-OG1 3.17Å; H842-S862 WeakPolarHBondContact CB-OG 3.14Å; H842-S862 WeakPolarHBondContact ND1-CB 3.46Å; H842-D864 WeakPolarHBondContact CA-OD2 3.38Å; H842-D864 VanDerWaalsContact CB-OD2 3.27Å; H842-D864 WeakPolarHBondContact CB-OD2 3.32Å; H842-D864 IonicContact CE1-OD1 3.56Å; H842-D864 IonicContact CG-OD1 2.72Å; H842-D864 IonicContact CG-OD2 3.8Å; H842-D864 IonicContact ND1-OD1 3.21Å; H842-D864 PolarHBondContact ND1-OD1 3Å; H842-D864 IonicContact ND1-OD2 3.82Å; H842-D864 PolarHBondContact ND1-OD2 3.41Å; H842-K866 PolarHBondContact CE1-O 3.16Å; H842-K866 VanDerWaalsContact CE1-O 3.3Å |
| 843 | S | 96.6 | Very high | 94.6 | Very high | 102 Ų | 102 | 43.8 Ų | 43.8 | 71% | 0.713 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -107.8 | 14.6 | 175.3 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | D864 | S843-D864 PolarHBondContact N-OD2 3Å; S843-D864 VanDerWaalsContact N-OD2 3.11Å; S843-D864 WeakPolarHBondContact OG-CB 3.46Å |
| 844 | S | 97.6 | Very high | 94.3 | Very high | 33 Ų | 33 | 44 Ų | 44 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -162.5 | 174.7 | 175.5 | -176.1 | 0 | 0 | 0 | 0 | 109 | S823 V846 S862 Y863 | S823-S844 WeakPolarHBondContact CA-O 3.5Å; S823-S844 VanDerWaalsContact CB-O 3.23Å; S823-S844 WeakPolarHBondContact CB-O 3.38Å; S844-V846 PolarHBondContact O-N 3.28Å; S844-S862 VanDerWaalsContact C-OG 3.3Å; S844-S862 PolarHBondContact O-OG 3.04Å; S844-Y863 VanDerWaalsContact OG-CB 3.27Å; S844-Y863 WeakPolarHBondContact OG-CB 3.38Å |
| 845 | D | 97.2 | Very high | 94.2 | Very high | 34 Ų | 34 | 37.2 Ų | 37.2 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | trans | -38.6 | 125.2 | -173 | -36.6 | 30.2 | 0 | 0 | 0 | 113.3 | R847 S862 Y863 | D845-R847 HydrophobicContact CB-CG 4.44Å; D845-R847 PolarHBondContact O-N 3.32Å; D845-S862 WeakPolarHBondContact O-CA 3.49Å; D845-S862 WeakPolarHBondContact O-CB 3.48Å; D845-S862 PolarHBondContact O-OG 2.76Å; D845-Y863 HydrophobicContact CB-CD2 3.72Å; D845-Y863 HydrophobicContact CB-CE2 4.28Å; D845-Y863 HydrophobicContact CB-CG 4.1Å; D845-Y863 PolarHBondContact O-N 3.48Å; D845-Y863 WeakPolarHBondContact OD2-CD2 3.39Å; D845-Y863 VanDerWaalsContact OD2-CE2 3.25Å; D845-Y863 WeakPolarHBondContact OD2-CE2 3.37Å | ||
| 846 | V | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 92.4 | 174.5 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | G819 Q820 P841 H842 S844 V849 T860 | G819-V846 CarbonylContact C-O 3.57Å; Q820-V846 PolarHBondContact O-N 2.71Å; P841-V846 HydrophobicContact CG-CG2 4.17Å; H842-V846 HydrophobicContact CB-CG2 4.17Å; S844-V846 PolarHBondContact O-N 3.28Å; V846-V849 HydrophobicContact CG1-CG2 3.7Å; V846-T860 HydrophobicContact CG1-CG2 4.45Å |
| 847 | R | 97.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -21.6 | -175.3 | -62.4 | -47.1 | -50.1 | -168.7 | 15.6 | 114.7 | A805 S806 E821 D845 G861 Y863 I893 | A805-R847 VanDerWaalsContact CB-CZ 3.48Å; S806-R847 PolarHBondContact OG-O 3.39Å; E821-R847 IonicContact OE1-CZ 3.76Å; E821-R847 IonicContact OE1-NH1 3.2Å; E821-R847 PolarHBondContact OE1-NH1 2.97Å; E821-R847 IonicContact OE1-NH2 2.67Å; D845-R847 HydrophobicContact CB-CG 4.44Å; D845-R847 PolarHBondContact O-N 3.32Å; R847-G861 PolarHBondContact N-O 2.78Å; R847-Y863 HydrophobicContact CG-CD1 3.51Å; R847-Y863 HydrophobicContact CG-CD2 4.49Å; R847-Y863 HydrophobicContact CG-CE1 3.33Å; R847-Y863 HydrophobicContact CG-CE2 4.28Å; R847-Y863 HydrophobicContact CG-CG 4.14Å; R847-I893 WeakPolarHBondContact CB-O 3.31Å |
| 848 | S | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 133.5 | 178.4 | -123.9 | 0 | 0 | 0 | 0 | 111.9 | S806 T860 G861 Q894 C895 | S806-S848 WeakPolarHBondContact OG-CA 3.49Å; S848-T860 CarbonylContact O-C 3.6Å; S848-T860 VanDerWaalsContact O-CA 3.27Å; S848-T860 WeakPolarHBondContact O-CA 3.35Å; S848-G861 PolarHBondContact N-O 2.98Å; S848-G861 VanDerWaalsContact N-O 3.1Å; S848-G861 PolarHBondContact O-N 3.41Å; S848-Q894 WeakPolarHBondContact OG-CA 3.39Å; S848-C895 VanDerWaalsContact CB-N 3.34Å; S848-C895 PolarHBondContact OG-N 2.86Å |
| 849 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 124.6 | 173.9 | 177.4 | 0 | 0 | 0 | 0 | 108 | S806 A808 A817 V846 L858 L859 T860 | S806-V849 PolarHBondContact OG-N 3.12Å; S806-V849 VanDerWaalsContact OG-N 3.14Å; A808-V849 WeakPolarHBondContact CB-O 3.47Å; A817-V849 HydrophobicContact CB-CG1 3.7Å; V846-V849 HydrophobicContact CG1-CG2 3.7Å; V849-L858 HydrophobicContact CG1-CD1 3.76Å; V849-L858 HydrophobicContact CG1-CD2 3.91Å; V849-L858 HydrophobicContact CG1-CG 3.97Å; V849-L859 CarbonylContact C-O 3.56Å; V849-L859 WeakPolarHBondContact CA-O 3.5Å; V849-T860 HydrophobicContact CG2-CG2 4.27Å |
| 850 | R | 97.5 | Very high | 95 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 21% | 0.208 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 130.6 | 173.6 | -75.7 | -62.3 | 171.6 | 110.9 | -11.2 | 113 | L859 W897 | R850-L859 PolarHBondContact N-O 2.78Å; R850-L859 PolarHBondContact O-N 3.37Å; R850-W897 PolarHBondContact O-NE1 2.84Å; R850-W897 VanDerWaalsContact O-NE1 3.11Å |
| 851 | F | 96.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 28.6 Ų | 28.6 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 145.4 | 164.6 | -65.9 | -79.6 | 0 | 0 | 0 | 111.1 | A808 D810 L815 A817 A855 Y857 L858 L872 W897 | A808-F851 HydrophobicContact CB-CD2 4.05Å; A808-F851 HydrophobicContact CB-CE2 4.35Å; D810-F851 HydrophobicContact CB-CD1 4.15Å; D810-F851 HydrophobicContact CB-CD2 3.97Å; D810-F851 HydrophobicContact CB-CE1 4.1Å; D810-F851 HydrophobicContact CB-CE2 3.93Å; D810-F851 HydrophobicContact CB-CG 4.08Å; D810-F851 HydrophobicContact CB-CZ 3.99Å; D810-F851 VanDerWaalsContact N-CE2 3.34Å; L815-F851 HydrophobicContact CB-CZ 4.22Å; L815-F851 HydrophobicContact CD2-CE1 4.01Å; L815-F851 HydrophobicContact CD2-CZ 4Å; L815-F851 HydrophobicContact CG-CZ 4.18Å; L815-F851 WeakPolarHBondContact O-CE2 3.26Å; A817-F851 HydrophobicContact CB-CE1 4.41Å; A817-F851 HydrophobicContact CB-CE2 3.64Å; A817-F851 HydrophobicContact CB-CZ 3.54Å; F851-A855 HydrophobicContact CD1-CB 4.3Å; F851-Y857 CarbonylContact C-O 3.51Å; F851-Y857 WeakPolarHBondContact CA-O 3.44Å; F851-L858 HydrophobicContact CD1-CD1 3.7Å; F851-L858 HydrophobicContact CD2-CD1 4.21Å; F851-L858 HydrophobicContact CE1-CD1 3.77Å; F851-L858 HydrophobicContact CE2-CD1 4.27Å; F851-L858 HydrophobicContact CG-CD1 3.94Å; F851-L858 HydrophobicContact CZ-CD1 4.07Å; F851-L872 HydrophobicContact CD1-CD1 3.79Å; F851-L872 HydrophobicContact CE1-CD1 3.56Å; F851-W897 VanDerWaalsContact C-CD1 3.46Å |
| 852 | S | 93.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | trans | -67.9 | 163.2 | 165.3 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | G854 A855 Y857 | S852-G854 PolarHBondContact O-N 3Å; S852-G854 VanDerWaalsContact O-N 3.09Å; S852-A855 PolarHBondContact O-N 3.05Å; S852-Y857 PolarHBondContact N-O 3.46Å; S852-Y857 PolarHBondContact OG-N 3.45Å; S852-Y857 PolarHBondContact OG-O 2.68Å | ||
| 853 | P | 86.9 | Confident | 95.4 | Very high | 78 Ų | 78 | 30.2 Ų | 30.2 | 51% | 0.506 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.8 | -179 | -28.2 | 36.5 | 0 | 0 | 0 | 115.3 | ||
| 854 | G | 85.2 | Confident | 95.4 | Very high | 42 Ų | 42 | 26.5 Ų | 26.5 | 43% | 0.433 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 7.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S852 H856 | S852-G854 PolarHBondContact O-N 3Å; S852-G854 VanDerWaalsContact O-N 3.09Å; G854-H856 PolarHBondContact O-N 3.16Å |
| 855 | A | 86.9 | Confident | 95.5 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 18% | 0.182 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 56.2 | -0.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | D810 F851 S852 Y857 L872 | D810-A855 HydrophobicContact CB-CB 4.2Å; F851-A855 HydrophobicContact CD1-CB 4.3Å; S852-A855 PolarHBondContact O-N 3.05Å; A855-Y857 PolarHBondContact O-N 3.03Å; A855-Y857 VanDerWaalsContact O-N 3.12Å; A855-L872 WeakPolarHBondContact O-CD1 3.34Å |
| 856 | H | 90.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 30.3 Ų | 30.3 | 44% | 0.444 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -58 | -24.4 | 175.6 | -54.4 | -48.4 | 0 | 0 | 0 | 114 | G854 L872 Q873 | G854-H856 PolarHBondContact O-N 3.16Å; H856-L872 PolarHBondContact O-N 3.32Å; H856-Q873 HydrophobicContact CB-CG 3.72Å |
| 857 | Y | 94.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 30.3 Ų | 30.3 | 26% | 0.263 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.6 | -173.9 | -62.7 | -58.9 | 0 | 0 | 0 | 112.3 | F851 S852 A855 V869 T870 D871 Q873 L902 | F851-Y857 CarbonylContact C-O 3.51Å; F851-Y857 WeakPolarHBondContact CA-O 3.44Å; S852-Y857 PolarHBondContact N-O 3.46Å; S852-Y857 PolarHBondContact OG-N 3.45Å; S852-Y857 PolarHBondContact OG-O 2.68Å; A855-Y857 PolarHBondContact O-N 3.03Å; A855-Y857 VanDerWaalsContact O-N 3.12Å; Y857-V869 HydrophobicContact CD1-CG1 3.69Å; Y857-V869 HydrophobicContact CG-CG1 4Å; Y857-T870 WeakPolarHBondContact CA-O 3.4Å; Y857-D871 HydrophobicContact CD1-CB 4.36Å; Y857-D871 HydrophobicContact CE1-CB 4.17Å; Y857-D871 WeakPolarHBondContact CE1-OD2 3.42Å; Y857-Q873 PolarHBondContact OH-NE2 3.3Å; Y857-L902 HydrophobicContact CD2-CD1 4.4Å |
| 858 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.5 | 168.6 | -162.2 | 75.3 | 0 | 0 | 0 | 110.1 | A817 L827 V849 F851 T860 V869 T870 L872 | A817-L858 HydrophobicContact CB-CD1 3.65Å; A817-L858 HydrophobicContact CB-CD2 4.08Å; L827-L858 HydrophobicContact CD2-CD2 4.32Å; V849-L858 HydrophobicContact CG1-CD1 3.76Å; V849-L858 HydrophobicContact CG1-CD2 3.91Å; V849-L858 HydrophobicContact CG1-CG 3.97Å; F851-L858 HydrophobicContact CD1-CD1 3.7Å; F851-L858 HydrophobicContact CD2-CD1 4.21Å; F851-L858 HydrophobicContact CE1-CD1 3.77Å; F851-L858 HydrophobicContact CE2-CD1 4.27Å; F851-L858 HydrophobicContact CG-CD1 3.94Å; F851-L858 HydrophobicContact CZ-CD1 4.07Å; L858-T860 HydrophobicContact CD2-CG2 4.13Å; L858-T860 HydrophobicContact CG-CG2 4.35Å; L858-V869 CarbonylContact O-C 3.5Å; L858-V869 WeakPolarHBondContact O-CA 3.36Å; L858-T870 PolarHBondContact N-O 2.91Å; L858-T870 PolarHBondContact O-N 3.42Å; L858-L872 HydrophobicContact CB-CD1 4.07Å; L858-L872 HydrophobicContact CB-CG 4.43Å |
| 859 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.9 | 174.6 | -177.6 | 65.9 | 0 | 0 | 0 | 109.6 | V849 R850 I867 V869 V885 C895 W897 F904 | V849-L859 CarbonylContact C-O 3.56Å; V849-L859 WeakPolarHBondContact CA-O 3.5Å; R850-L859 PolarHBondContact N-O 2.78Å; R850-L859 PolarHBondContact O-N 3.37Å; L859-I867 HydrophobicContact CD1-CG2 3.59Å; L859-I867 HydrophobicContact CG-CG2 4.47Å; L859-V869 HydrophobicContact CD1-CG2 3.79Å; L859-V885 HydrophobicContact CD1-CG2 4.23Å; L859-C895 HydrophobicContact CD2-CB 3.73Å; L859-C895 HydrophobicContact CG-CB 3.94Å; L859-W897 HydrophobicContact CB-CZ2 3.72Å; L859-W897 VanDerWaalsContact CB-NE1 3.3Å; L859-W897 HydrophobicContact CD1-CZ2 4.42Å; L859-W897 HydrophobicContact CD2-CD2 4.14Å; L859-W897 HydrophobicContact CD2-CG 4.34Å; L859-W897 HydrophobicContact CD2-CZ2 4.44Å; L859-W897 HydrophobicContact CG-CZ2 4.43Å; L859-F904 HydrophobicContact CD1-CD1 4.2Å; L859-F904 HydrophobicContact CD1-CD2 4.3Å; L859-F904 HydrophobicContact CD1-CE1 4.27Å; L859-F904 HydrophobicContact CD1-CE2 4.39Å; L859-F904 HydrophobicContact CD1-CG 4.22Å; L859-F904 HydrophobicContact CD1-CZ 4.39Å; L859-F904 HydrophobicContact CD2-CB 3.64Å; L859-F904 HydrophobicContact CD2-CD1 4.37Å; L859-F904 HydrophobicContact CD2-CD2 4.07Å; L859-F904 HydrophobicContact CD2-CG 3.79Å |
| 860 | T | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.2 | 177.6 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | H842 V846 S848 V849 L858 I867 K868 | H842-T860 PolarHBondContact CD2-OG1 3.5Å; H842-T860 WeakPolarHBondContact NE2-CB 3.42Å; H842-T860 PolarHBondContact NE2-OG1 3.17Å; V846-T860 HydrophobicContact CG1-CG2 4.45Å; S848-T860 CarbonylContact O-C 3.6Å; S848-T860 VanDerWaalsContact O-CA 3.27Å; S848-T860 WeakPolarHBondContact O-CA 3.35Å; V849-T860 HydrophobicContact CG2-CG2 4.27Å; L858-T860 HydrophobicContact CD2-CG2 4.13Å; L858-T860 HydrophobicContact CG-CG2 4.35Å; T860-I867 WeakPolarHBondContact O-CA 3.3Å; T860-K868 PolarHBondContact N-O 2.98Å; T860-K868 PolarHBondContact O-N 3.38Å; T860-K868 PolarHBondContact OG1-O 3.38Å |
| 861 | G | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | R847 S848 | R847-G861 PolarHBondContact N-O 2.78Å; S848-G861 PolarHBondContact N-O 2.98Å; S848-G861 VanDerWaalsContact N-O 3.1Å; S848-G861 PolarHBondContact O-N 3.41Å |
| 862 | S | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 162.2 | -166.5 | 171.4 | 0 | 0 | 0 | 0 | 114.5 | H842 S844 D845 D864 M865 K866 V892 | H842-S862 WeakPolarHBondContact CB-OG 3.14Å; H842-S862 WeakPolarHBondContact ND1-CB 3.46Å; S844-S862 VanDerWaalsContact C-OG 3.3Å; S844-S862 PolarHBondContact O-OG 3.04Å; D845-S862 WeakPolarHBondContact O-CA 3.49Å; D845-S862 WeakPolarHBondContact O-CB 3.48Å; D845-S862 PolarHBondContact O-OG 2.76Å; S862-D864 WeakPolarHBondContact CB-OD1 3.11Å; S862-D864 PolarHBondContact O-N 3.35Å; S862-D864 PolarHBondContact OG-N 3.06Å; S862-D864 PolarHBondContact OG-OD1 3.02Å; S862-M865 PolarHBondContact O-N 3.3Å; S862-K866 PolarHBondContact N-O 2.96Å; S862-V892 WeakPolarHBondContact O-CB 3.47Å; S862-V892 PolarHBondContact O-N 3.44Å |
| 863 | Y | 98.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 19% | 0.188 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -6.4 | 164.5 | -75.7 | -2.3 | 0 | 0 | 0 | 114.3 | S844 D845 R847 M865 K891 V892 | S844-Y863 VanDerWaalsContact OG-CB 3.27Å; S844-Y863 WeakPolarHBondContact OG-CB 3.38Å; D845-Y863 HydrophobicContact CB-CD2 3.72Å; D845-Y863 HydrophobicContact CB-CE2 4.28Å; D845-Y863 HydrophobicContact CB-CG 4.1Å; D845-Y863 PolarHBondContact O-N 3.48Å; D845-Y863 WeakPolarHBondContact OD2-CD2 3.39Å; D845-Y863 VanDerWaalsContact OD2-CE2 3.25Å; D845-Y863 WeakPolarHBondContact OD2-CE2 3.37Å; R847-Y863 HydrophobicContact CG-CD1 3.51Å; R847-Y863 HydrophobicContact CG-CD2 4.49Å; R847-Y863 HydrophobicContact CG-CE1 3.33Å; R847-Y863 HydrophobicContact CG-CE2 4.28Å; R847-Y863 HydrophobicContact CG-CG 4.14Å; Y863-M865 PolarHBondContact O-N 3.46Å; Y863-K891 HydrophobicContact CD1-CB 3.47Å; Y863-K891 VanDerWaalsContact CD1-CB 3.47Å; Y863-K891 HydrophobicContact CD1-CD 3.69Å; Y863-K891 HydrophobicContact CD1-CG 3.68Å; Y863-K891 HydrophobicContact CD2-CD 3.86Å; Y863-K891 HydrophobicContact CE1-CB 3.92Å; Y863-K891 HydrophobicContact CE1-CD 4Å; Y863-K891 HydrophobicContact CE1-CG 4.33Å; Y863-K891 HydrophobicContact CE2-CD 4.23Å; Y863-K891 HydrophobicContact CG-CB 4.1Å; Y863-K891 HydrophobicContact CG-CD 3.58Å; Y863-K891 HydrophobicContact CG-CG 3.77Å; Y863-V892 WeakPolarHBondContact CD1-O 3.34Å |
| 864 | D | 97.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 34.6 Ų | 34.6 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 11.2 | 166.5 | 81.5 | -5.8 | 0 | 0 | 0 | 113.9 | H842 S843 S862 K866 K868 | H842-D864 WeakPolarHBondContact CA-OD2 3.38Å; H842-D864 VanDerWaalsContact CB-OD2 3.27Å; H842-D864 WeakPolarHBondContact CB-OD2 3.32Å; H842-D864 IonicContact CE1-OD1 3.56Å; H842-D864 IonicContact CG-OD1 2.72Å; H842-D864 IonicContact CG-OD2 3.8Å; H842-D864 IonicContact ND1-OD1 3.21Å; H842-D864 PolarHBondContact ND1-OD1 3Å; H842-D864 IonicContact ND1-OD2 3.82Å; H842-D864 PolarHBondContact ND1-OD2 3.41Å; S843-D864 PolarHBondContact N-OD2 3Å; S843-D864 VanDerWaalsContact N-OD2 3.11Å; S843-D864 WeakPolarHBondContact OG-CB 3.46Å; S862-D864 WeakPolarHBondContact CB-OD1 3.11Å; S862-D864 PolarHBondContact O-N 3.35Å; S862-D864 PolarHBondContact OG-N 3.06Å; S862-D864 PolarHBondContact OG-OD1 3.02Å; D864-K866 PolarHBondContact O-N 3.2Å; D864-K866 WeakPolarHBondContact OD1-CB 3.23Å; D864-K866 PolarHBondContact OD1-N 3.34Å; D864-K868 IonicContact OD2-NZ 3.05Å |
| 865 | M | 98.2 | Very high | 94.5 | Very high | 74 Ų | 74 | 36.1 Ų | 36.1 | 37% | 0.365 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 68.5 | -1.9 | -179.7 | -46.5 | -176.7 | -176.5 | 0 | 0 | 115 | S862 Y863 E887 H888 | S862-M865 PolarHBondContact O-N 3.3Å; Y863-M865 PolarHBondContact O-N 3.46Å; M865-E887 WeakPolarHBondContact O-CA 3.28Å; M865-H888 PolarHBondContact O-N 2.96Å |
| 866 | K | 97.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 37 Ų | 37 | 32% | 0.317 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 156.6 | -174 | -66.5 | 170.1 | -178.3 | 176.7 | 0 | 112.4 | H842 S862 D864 V884 E887 | H842-K866 PolarHBondContact CE1-O 3.16Å; H842-K866 VanDerWaalsContact CE1-O 3.3Å; S862-K866 PolarHBondContact N-O 2.96Å; D864-K866 PolarHBondContact O-N 3.2Å; D864-K866 WeakPolarHBondContact OD1-CB 3.23Å; D864-K866 PolarHBondContact OD1-N 3.34Å; K866-V884 HydrophobicContact CB-CG1 4.48Å; K866-E887 WeakPolarHBondContact CE-OE1 3.47Å; K866-E887 HydrophobicContact CG-CB 4.47Å; K866-E887 HydrophobicContact CG-CG 4.04Å; K866-E887 IonicContact NZ-OE1 3.36Å |
| 867 | I | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.3 | 173.7 | -49.3 | 170.3 | 0 | 0 | 0 | 106.4 | L859 T860 V885 G886 V892 F904 S906 W916 | L859-I867 HydrophobicContact CD1-CG2 3.59Å; L859-I867 HydrophobicContact CG-CG2 4.47Å; T860-I867 WeakPolarHBondContact O-CA 3.3Å; I867-V885 HydrophobicContact CB-CG2 4.15Å; I867-V885 HydrophobicContact CG2-CG2 3.77Å; I867-V885 WeakPolarHBondContact O-CG2 3.42Å; I867-V885 PolarHBondContact O-N 3.37Å; I867-G886 PolarHBondContact N-O 3.39Å; I867-G886 PolarHBondContact O-N 3.16Å; I867-V892 HydrophobicContact CG1-CG1 4.28Å; I867-V892 HydrophobicContact CG1-CG2 4.04Å; I867-F904 HydrophobicContact CD1-CE2 3.98Å; I867-F904 HydrophobicContact CG2-CE2 3.85Å; I867-F904 HydrophobicContact CG2-CZ 4.14Å; I867-S906 WeakPolarHBondContact CD1-OG 3.41Å; I867-W916 HydrophobicContact CD1-CZ2 4.23Å |
| 868 | K | 97.1 | Very high | 94.3 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 149.2 | -178 | -69.4 | 173.8 | 179.2 | 169 | 0 | 111.1 | P841 T860 D864 L882 M883 V884 | P841-K868 WeakPolarHBondContact O-CD 3.46Å; P841-K868 WeakPolarHBondContact O-CE 3.43Å; P841-K868 PolarHBondContact O-NZ 3.06Å; T860-K868 PolarHBondContact N-O 2.98Å; T860-K868 PolarHBondContact O-N 3.38Å; T860-K868 PolarHBondContact OG1-O 3.38Å; D864-K868 IonicContact OD2-NZ 3.05Å; K868-L882 HydrophobicContact CD-CD2 4.4Å; K868-M883 CarbonylContact C-O 3.56Å; K868-M883 WeakPolarHBondContact CA-O 3.34Å; K868-M883 WeakPolarHBondContact CB-O 3.39Å; K868-V884 HydrophobicContact CD-CG2 4.37Å; K868-V884 HydrophobicContact CG-CG2 3.96Å |
| 869 | V | 96.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.2 | 166.2 | 168.2 | 0 | 0 | 0 | 0 | 108.1 | Y857 L858 L859 L882 M883 V885 W897 | Y857-V869 HydrophobicContact CD1-CG1 3.69Å; Y857-V869 HydrophobicContact CG-CG1 4Å; L858-V869 CarbonylContact O-C 3.5Å; L858-V869 WeakPolarHBondContact O-CA 3.36Å; L859-V869 HydrophobicContact CD1-CG2 3.79Å; V869-L882 WeakPolarHBondContact O-CA 3.4Å; V869-M883 PolarHBondContact N-O 3.26Å; V869-M883 PolarHBondContact O-N 3.42Å; V869-V885 HydrophobicContact CB-CG1 3.9Å; V869-V885 HydrophobicContact CG2-CB 4.41Å; V869-V885 HydrophobicContact CG2-CG1 3.72Å; V869-V885 HydrophobicContact CG2-CG2 3.87Å; V869-W897 HydrophobicContact CG2-CH2 3.93Å; V869-W897 HydrophobicContact CG2-CZ2 4.04Å |
| 870 | T | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.4 | 170 | -47.9 | 0 | 0 | 0 | 0 | 108.7 | Y839 Y857 L858 L872 L880 P881 L882 | Y839-T870 HydrophobicContact CE2-CG2 4.28Å; Y839-T870 PolarHBondContact OH-OG1 3.17Å; Y839-T870 VanDerWaalsContact OH-OG1 3.14Å; Y857-T870 WeakPolarHBondContact CA-O 3.4Å; L858-T870 PolarHBondContact N-O 2.91Å; L858-T870 PolarHBondContact O-N 3.42Å; T870-L872 HydrophobicContact CG2-CD2 4.31Å; T870-L880 HydrophobicContact CG2-CB 3.39Å; T870-L880 HydrophobicContact CG2-CD1 3.55Å; T870-L880 HydrophobicContact CG2-CG 4.07Å; T870-P881 CarbonylContact C-O 3.54Å; T870-P881 VanDerWaalsContact CA-O 3.31Å; T870-P881 WeakPolarHBondContact CA-O 3.3Å; T870-L882 HydrophobicContact CG2-CD1 3.83Å; T870-L882 HydrophobicContact CG2-CG 4.28Å |
| 871 | D | 92.9 | Very high | 93.3 | Very high | 44 Ų | 44 | 54 Ų | 54 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.7 | 171.3 | -159.5 | -34.7 | 0 | 0 | 0 | 110.4 | Y857 Q873 P881 | Y857-D871 HydrophobicContact CD1-CB 4.36Å; Y857-D871 HydrophobicContact CE1-CB 4.17Å; Y857-D871 WeakPolarHBondContact CE1-OD2 3.42Å; D871-Q873 VanDerWaalsContact OD1-CB 3.31Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.47Å; D871-Q873 VanDerWaalsContact OD1-CG 3.3Å; D871-Q873 WeakPolarHBondContact OD1-CG 3.47Å; D871-Q873 PolarHBondContact OD1-N 2.76Å; D871-Q873 PolarHBondContact OD1-NE2 3.4Å; D871-Q873 PolarHBondContact OD2-NE2 3.08Å; D871-Q873 VanDerWaalsContact OD2-NE2 3.15Å; D871-P881 HydrophobicContact CB-CB 4.16Å; D871-P881 HydrophobicContact CB-CG 4.15Å; D871-P881 PolarHBondContact N-O 2.92Å |
| 872 | L | 93.1 | Very high | 93 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | trans | -116.1 | 3.5 | -177.3 | -59.5 | -177.7 | 0 | 0 | 0 | 113.1 | L827 F851 A855 H856 L858 T870 G874 L876 L880 | L827-L872 HydrophobicContact CD1-CD2 4.24Å; F851-L872 HydrophobicContact CD1-CD1 3.79Å; F851-L872 HydrophobicContact CE1-CD1 3.56Å; A855-L872 WeakPolarHBondContact O-CD1 3.34Å; H856-L872 PolarHBondContact O-N 3.32Å; L858-L872 HydrophobicContact CB-CD1 4.07Å; L858-L872 HydrophobicContact CB-CG 4.43Å; T870-L872 HydrophobicContact CG2-CD2 4.31Å; L872-G874 PolarHBondContact O-N 3.31Å; L872-L876 HydrophobicContact CB-CD2 4.09Å; L872-L876 HydrophobicContact CD2-CD2 3.91Å; L872-L880 HydrophobicContact CD2-CD1 3.95Å; L872-L880 HydrophobicContact CD2-CD2 4.49Å | ||
| 873 | Q | 87.2 | Confident | 92.8 | Very high | 113 Ų | 113 | 61.6 Ų | 61.6 | 53% | 0.528 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -79.1 | 27.1 | -175.1 | -60.8 | 169.9 | 104.3 | 0 | 0 | 114.1 | H856 Y857 D871 | H856-Q873 HydrophobicContact CB-CG 3.72Å; Y857-Q873 PolarHBondContact OH-NE2 3.3Å; D871-Q873 VanDerWaalsContact OD1-CB 3.31Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.47Å; D871-Q873 VanDerWaalsContact OD1-CG 3.3Å; D871-Q873 WeakPolarHBondContact OD1-CG 3.47Å; D871-Q873 PolarHBondContact OD1-N 2.76Å; D871-Q873 PolarHBondContact OD1-NE2 3.4Å; D871-Q873 PolarHBondContact OD2-NE2 3.08Å; D871-Q873 VanDerWaalsContact OD2-NE2 3.15Å |
| 874 | G | 83.9 | Confident | 92.7 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -145.2 | -162.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L872 L876 | L872-G874 PolarHBondContact O-N 3.31Å; G874-L876 PolarHBondContact O-N 3.02Å |
| 875 | D | 87.3 | Confident | 92.5 | Very high | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 33% | 0.331 | S | S | . | . | trans | -70.6 | 100.9 | 176.7 | -178.9 | -6.9 | 0 | 0 | 0 | 110.9 | T877 K878 | D875-T877 VanDerWaalsContact CG-OG1 3.31Å; D875-T877 PolarHBondContact O-N 3.1Å; D875-T877 WeakPolarHBondContact OD1-CB 3.34Å; D875-T877 PolarHBondContact OD1-N 3.44Å; D875-T877 PolarHBondContact OD1-OG1 3.26Å; D875-T877 PolarHBondContact OD2-OG1 2.89Å; D875-K878 HydrophobicContact CB-CD 4.28Å; D875-K878 HydrophobicContact CB-CG 4.23Å; D875-K878 PolarHBondContact O-N 3.47Å; D875-K878 IonicContact OD2-NZ 3.84Å; D875-K878 PolarHBondContact OD2-NZ 3.44Å | ||
| 876 | L | 89.4 | Confident | 92.3 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -6 | -179.4 | -58.8 | -179 | 0 | 0 | 0 | 114.8 | L815 V836 L872 G874 L880 | L815-L876 HydrophobicContact CD2-CD1 4.04Å; V836-L876 HydrophobicContact CG1-CB 3.73Å; L872-L876 HydrophobicContact CB-CD2 4.09Å; L872-L876 HydrophobicContact CD2-CD2 3.91Å; G874-L876 PolarHBondContact O-N 3.02Å; L876-L880 HydrophobicContact CD2-CD2 3.99Å |
| 877 | T | 87.9 | Confident | 92.3 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -22.2 | 172.2 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | Q837 D875 | Q837-T877 PolarHBondContact NE2-O 2.88Å; D875-T877 VanDerWaalsContact CG-OG1 3.31Å; D875-T877 PolarHBondContact O-N 3.1Å; D875-T877 WeakPolarHBondContact OD1-CB 3.34Å; D875-T877 PolarHBondContact OD1-N 3.44Å; D875-T877 PolarHBondContact OD1-OG1 3.26Å; D875-T877 PolarHBondContact OD2-OG1 2.89Å |
| 878 | K | 88.9 | Confident | 92.2 | Very high | 132 Ų | 132 | 61.3 Ų | 61.3 | 57% | 0.574 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -86.1 | 163.7 | 178.8 | -66.2 | -172.4 | 175.8 | 81.9 | 0 | 111.6 | Q837 D875 L880 | Q837-K878 PolarHBondContact NE2-O 3.22Å; D875-K878 HydrophobicContact CB-CD 4.28Å; D875-K878 HydrophobicContact CB-CG 4.23Å; D875-K878 PolarHBondContact O-N 3.47Å; D875-K878 IonicContact OD2-NZ 3.84Å; D875-K878 PolarHBondContact OD2-NZ 3.44Å; K878-L880 PolarHBondContact O-N 2.99Å; K878-L880 VanDerWaalsContact O-N 3.12Å |
| 879 | Q | 89.2 | Confident | 92.2 | Very high | 190 Ų | 190 | 68.5 Ų | 68.5 | 89% | 0.888 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 118.3 | 174.4 | -179.3 | 177.4 | -6.1 | 0 | 0 | 110.2 | ||
| 880 | L | 92.1 | Very high | 92.3 | Very high | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 147.6 | -176.4 | -58.1 | 172 | 0 | 0 | 0 | 111.4 | L827 Q837 Y839 T870 L872 L876 K878 L882 | L827-L880 HydrophobicContact CD1-CD1 3.85Å; Q837-L880 VanDerWaalsContact OE1-CD1 3.23Å; Y839-L880 HydrophobicContact CE1-CD1 4.08Å; Y839-L880 HydrophobicContact CE2-CD1 4.49Å; T870-L880 HydrophobicContact CG2-CB 3.39Å; T870-L880 HydrophobicContact CG2-CD1 3.55Å; T870-L880 HydrophobicContact CG2-CG 4.07Å; L872-L880 HydrophobicContact CD2-CD1 3.95Å; L872-L880 HydrophobicContact CD2-CD2 4.49Å; L876-L880 HydrophobicContact CD2-CD2 3.99Å; K878-L880 PolarHBondContact O-N 2.99Å; K878-L880 VanDerWaalsContact O-N 3.12Å; L880-L882 HydrophobicContact CB-CD1 4.19Å; L880-L882 WeakPolarHBondContact O-CD1 3.43Å |
| 881 | P | 91.3 | Very high | 92.4 | Very high | 86 Ų | 86 | 74.6 Ų | 74.6 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 128.8 | 169.7 | -17 | 31.5 | 0 | 0 | 0 | 110.9 | T870 D871 | T870-P881 CarbonylContact C-O 3.54Å; T870-P881 VanDerWaalsContact CA-O 3.31Å; T870-P881 WeakPolarHBondContact CA-O 3.3Å; D871-P881 HydrophobicContact CB-CB 4.16Å; D871-P881 HydrophobicContact CB-CG 4.15Å; D871-P881 PolarHBondContact N-O 2.92Å |
| 882 | L | 92.6 | Very high | 92.7 | Very high | 73 Ų | 73 | 72.5 Ų | 72.5 | 38% | 0.382 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.6 | 176.6 | -83.7 | 77.9 | 0 | 0 | 0 | 111.3 | Y839 P841 K868 V869 T870 L880 | Y839-L882 HydrophobicContact CD2-CD1 4.4Å; Y839-L882 HydrophobicContact CE2-CD1 4.03Å; Y839-L882 HydrophobicContact CE2-CD2 4.28Å; P841-L882 HydrophobicContact CB-CD2 3.66Å; K868-L882 HydrophobicContact CD-CD2 4.4Å; V869-L882 WeakPolarHBondContact O-CA 3.4Å; T870-L882 HydrophobicContact CG2-CD1 3.83Å; T870-L882 HydrophobicContact CG2-CG 4.28Å; L880-L882 HydrophobicContact CB-CD1 4.19Å; L880-L882 WeakPolarHBondContact O-CD1 3.43Å |
| 883 | M | 93.6 | Very high | 92.9 | Very high | 86 Ų | 86 | 72.6 Ų | 72.6 | 42% | 0.424 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.2 | 172 | -172.3 | -179.8 | -62 | 0 | 0 | 111.1 | Q597 K868 V869 V885 | Q597-M883 HydrophobicContact CB-SD 3.97Å; Q597-M883 PolarHBondContact OE1-SD 2.64Å; K868-M883 CarbonylContact C-O 3.56Å; K868-M883 WeakPolarHBondContact CA-O 3.34Å; K868-M883 WeakPolarHBondContact CB-O 3.39Å; V869-M883 PolarHBondContact N-O 3.26Å; V869-M883 PolarHBondContact O-N 3.42Å; M883-V885 HydrophobicContact CG-CG1 4.44Å |
| 884 | V | 95.4 | Very high | 93.4 | Very high | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116.7 | 165.9 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | K866 K868 | K866-V884 HydrophobicContact CB-CG1 4.48Å; K868-V884 HydrophobicContact CD-CG2 4.37Å; K868-V884 HydrophobicContact CG-CG2 3.96Å |
| 885 | V | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -14.2 | -176.4 | -64 | 0 | 0 | 0 | 0 | 113.3 | F598 L859 I867 V869 M883 F904 | F598-V885 HydrophobicContact CB-CB 4.22Å; F598-V885 HydrophobicContact CD2-CB 3.73Å; F598-V885 HydrophobicContact CD2-CG1 3.5Å; F598-V885 HydrophobicContact CE2-CB 4.37Å; F598-V885 HydrophobicContact CE2-CG1 3.81Å; F598-V885 HydrophobicContact CG-CB 4.1Å; F598-V885 HydrophobicContact CG-CG1 4.37Å; L859-V885 HydrophobicContact CD1-CG2 4.23Å; I867-V885 HydrophobicContact CB-CG2 4.15Å; I867-V885 HydrophobicContact CG2-CG2 3.77Å; I867-V885 WeakPolarHBondContact O-CG2 3.42Å; I867-V885 PolarHBondContact O-N 3.37Å; V869-V885 HydrophobicContact CB-CG1 3.9Å; V869-V885 HydrophobicContact CG2-CB 4.41Å; V869-V885 HydrophobicContact CG2-CG1 3.72Å; V869-V885 HydrophobicContact CG2-CG2 3.87Å; M883-V885 HydrophobicContact CG-CG1 4.44Å; V885-F904 HydrophobicContact CB-CE1 4.16Å; V885-F904 HydrophobicContact CB-CZ 4.06Å; V885-F904 HydrophobicContact CG2-CE1 3.75Å; V885-F904 HydrophobicContact CG2-CE2 4.45Å; V885-F904 HydrophobicContact CG2-CZ 3.48Å; V885-F904 VanDerWaalsContact CG2-CZ 3.48Å |
| 886 | G | 94 | Very high | 94.5 | Very high | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 161.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I867 | I867-G886 PolarHBondContact N-O 3.39Å; I867-G886 PolarHBondContact O-N 3.16Å |
| 887 | E | 96.1 | Very high | 94.9 | Very high | 113 Ų | 113 | 62.1 Ų | 62.1 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 139.5 | -178.9 | -173 | 163.4 | -169.5 | 0 | 0 | 109.2 | M865 K866 | M865-E887 WeakPolarHBondContact O-CA 3.28Å; K866-E887 WeakPolarHBondContact CE-OE1 3.47Å; K866-E887 HydrophobicContact CG-CB 4.47Å; K866-E887 HydrophobicContact CG-CG 4.04Å; K866-E887 IonicContact NZ-OE1 3.36Å |
| 888 | H | 97.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 6% | 0.06 | 28% | 0.282 | C | S | . | . | trans | -110.7 | 170.1 | 178.2 | -88.2 | -87.8 | 0 | 0 | 0 | 110.9 | M865 D890 V892 S906 S908 D910 T912 | M865-H888 PolarHBondContact O-N 2.96Å; H888-D890 VanDerWaalsContact C-N 3.28Å; H888-D890 VanDerWaalsContact CB-O 3.28Å; H888-D890 WeakPolarHBondContact CB-O 3.48Å; H888-V892 HydrophobicContact CB-CG2 4.24Å; H888-S906 PolarHBondContact NE2-OG 3.19Å; H888-S908 VanDerWaalsContact CG-CB 3.49Å; H888-S908 VanDerWaalsContact ND1-CB 3.26Å; H888-S908 WeakPolarHBondContact ND1-CB 3.47Å; H888-D910 WeakPolarHBondContact CB-OD2 3.4Å; H888-D910 IonicContact CG-OD2 3.89Å; H888-D910 IonicContact ND1-OD1 3.52Å; H888-D910 PolarHBondContact ND1-OD1 2.9Å; H888-D910 IonicContact ND1-OD2 3.27Å; H888-D910 PolarHBondContact ND1-OD2 3.11Å; H888-T912 PolarHBondContact CE1-OG1 3.47Å; H888-T912 PolarHBondContact ND1-OG1 3.14Å | ||
| 889 | K | 96.9 | Very high | 95.3 | Very high | 189 Ų | 189 | 54.1 Ų | 54.1 | 82% | 0.822 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -82.7 | -8.2 | 177.3 | -62.1 | 175.1 | -176.9 | 170.7 | 0 | 113.4 | D910 | K889-D910 HydrophobicContact CB-CB 3.89Å; K889-D910 PolarHBondContact N-OD2 2.89Å |
| 890 | D | 97.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -157.9 | 172.8 | 179.2 | -163.7 | -1.1 | 0 | 0 | 0 | 108.5 | H888 V892 S908 A909 D910 | H888-D890 VanDerWaalsContact C-N 3.28Å; H888-D890 VanDerWaalsContact CB-O 3.28Å; H888-D890 WeakPolarHBondContact CB-O 3.48Å; D890-V892 PolarHBondContact O-N 2.95Å; D890-S908 PolarHBondContact O-OG 2.67Å; D890-A909 HydrophobicContact CB-CB 4.05Å; D890-A909 VanDerWaalsContact OD2-CB 3.24Å; D890-A909 WeakPolarHBondContact OD2-CB 3.29Å; D890-D910 HydrophobicContact CB-CB 3.84Å |
| 891 | K | 98.2 | Very high | 95.1 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | trans | -34.5 | 120.1 | 179.5 | -71.5 | -176.9 | 172.7 | -149.5 | 0 | 115.3 | Y863 S908 A909 | Y863-K891 HydrophobicContact CD1-CB 3.47Å; Y863-K891 VanDerWaalsContact CD1-CB 3.47Å; Y863-K891 HydrophobicContact CD1-CD 3.69Å; Y863-K891 HydrophobicContact CD1-CG 3.68Å; Y863-K891 HydrophobicContact CD2-CD 3.86Å; Y863-K891 HydrophobicContact CE1-CB 3.92Å; Y863-K891 HydrophobicContact CE1-CD 4Å; Y863-K891 HydrophobicContact CE1-CG 4.33Å; Y863-K891 HydrophobicContact CE2-CD 4.23Å; Y863-K891 HydrophobicContact CG-CB 4.1Å; Y863-K891 HydrophobicContact CG-CD 3.58Å; Y863-K891 HydrophobicContact CG-CG 3.77Å; K891-S908 WeakPolarHBondContact O-CA 3.38Å; K891-S908 PolarHBondContact O-OG 2.94Å; K891-S908 VanDerWaalsContact O-OG 3.08Å; K891-A909 HydrophobicContact CB-CB 4.01Å; K891-A909 PolarHBondContact O-N 2.86Å | ||
| 892 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.7 | 170.5 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | S862 Y863 I867 H888 D890 | S862-V892 WeakPolarHBondContact O-CB 3.47Å; S862-V892 PolarHBondContact O-N 3.44Å; Y863-V892 WeakPolarHBondContact CD1-O 3.34Å; I867-V892 HydrophobicContact CG1-CG1 4.28Å; I867-V892 HydrophobicContact CG1-CG2 4.04Å; H888-V892 HydrophobicContact CB-CG2 4.24Å; D890-V892 PolarHBondContact O-N 2.95Å |
| 893 | I | 97.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 10% | 0.103 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | -51.5 | -171.3 | -54.7 | -178.3 | 0 | 0 | 0 | 111.7 | R611 R847 S907 A909 | R611-I893 HydrophobicContact CB-CG2 4.2Å; R611-I893 HydrophobicContact CG-CD1 4.13Å; R611-I893 HydrophobicContact CG-CG2 4.49Å; R847-I893 WeakPolarHBondContact CB-O 3.31Å; I893-S907 PolarHBondContact N-O 3Å; I893-A909 HydrophobicContact CD1-CB 4.33Å |
| 894 | Q | 97.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 46.7 Ų | 46.7 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.6 | 173.1 | -73.5 | -170 | -12.8 | 0 | 0 | 111.9 | R611 V613 S848 S906 S907 | R611-Q894 WeakPolarHBondContact O-CG 3.46Å; V613-Q894 HydrophobicContact CG2-CB 3.9Å; V613-Q894 PolarHBondContact O-OE1 3.49Å; S848-Q894 WeakPolarHBondContact OG-CA 3.39Å; Q894-S906 CarbonylContact O-C 3.51Å; Q894-S906 VanDerWaalsContact O-CA 3.32Å; Q894-S906 WeakPolarHBondContact O-CA 3.48Å; Q894-S907 PolarHBondContact N-OG 3.04Å; Q894-S907 PolarHBondContact O-N 3.22Å; Q894-S907 PolarHBondContact O-OG 3.17Å |
| 895 | C | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.4 | 168.2 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | S848 L859 L905 | S848-C895 VanDerWaalsContact CB-N 3.34Å; S848-C895 PolarHBondContact OG-N 2.86Å; L859-C895 HydrophobicContact CD2-CB 3.73Å; L859-C895 HydrophobicContact CG-CB 3.94Å; C895-L905 CarbonylContact C-O 3.51Å; C895-L905 VanDerWaalsContact CA-O 3.31Å; C895-L905 WeakPolarHBondContact CA-O 3.3Å |
| 896 | R | 97.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 126 | 177.4 | -60.7 | -67 | -173 | -135.6 | 15.1 | 110 | V613 F615 F904 L905 | V613-R896 HydrophobicContact CG2-CG 4.02Å; V613-R896 VanDerWaalsContact O-CG 3.32Å; V613-R896 WeakPolarHBondContact O-CG 3.49Å; V613-R896 PolarHBondContact O-NE 2.83Å; F615-R896 HydrophobicContact CD2-CB 4.26Å; R896-F904 CarbonylContact O-C 3.58Å; R896-F904 WeakPolarHBondContact O-CA 3.27Å; R896-F904 VanDerWaalsContact O-CB 3.27Å; R896-F904 WeakPolarHBondContact O-CB 3.32Å; R896-L905 PolarHBondContact N-O 2.69Å; R896-L905 PolarHBondContact O-N 2.99Å |
| 897 | W | 96.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 9% | 0.087 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 150.5 | 165.1 | -69.8 | 108 | 0 | 0 | 0 | 111.2 | F598 F615 R850 F851 L859 V869 L902 F904 | F598-W897 HydrophobicContact CE1-CZ3 4.31Å; F598-W897 HydrophobicContact CZ-CH2 4.28Å; F598-W897 HydrophobicContact CZ-CZ3 4.26Å; F615-W897 WeakPolarHBondContact CD2-O 3.32Å; F615-W897 WeakPolarHBondContact CE2-O 3.44Å; R850-W897 PolarHBondContact O-NE1 2.84Å; R850-W897 VanDerWaalsContact O-NE1 3.11Å; F851-W897 VanDerWaalsContact C-CD1 3.46Å; L859-W897 HydrophobicContact CB-CZ2 3.72Å; L859-W897 VanDerWaalsContact CB-NE1 3.3Å; L859-W897 HydrophobicContact CD1-CZ2 4.42Å; L859-W897 HydrophobicContact CD2-CD2 4.14Å; L859-W897 HydrophobicContact CD2-CG 4.34Å; L859-W897 HydrophobicContact CD2-CZ2 4.44Å; L859-W897 HydrophobicContact CG-CZ2 4.43Å; V869-W897 HydrophobicContact CG2-CH2 3.93Å; V869-W897 HydrophobicContact CG2-CZ2 4.04Å; W897-L902 HydrophobicContact CH2-CD1 4.15Å; W897-L902 HydrophobicContact CZ3-CD1 3.76Å; W897-F904 HydrophobicContact CD2-CB 4.49Å; W897-F904 HydrophobicContact CE3-CB 4.04Å; W897-F904 HydrophobicContact CE3-CD1 4.4Å; W897-F904 HydrophobicContact CH2-CD1 4.44Å; W897-F904 HydrophobicContact CZ3-CB 4.45Å; W897-F904 AromaticContact CZ3-CD1 3.97Å; W897-F904 HydrophobicContact CZ3-CD1 3.97Å |
| 898 | H | 95.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | trans | -66.7 | 161.1 | 162.7 | -170 | -142 | 0 | 0 | 0 | 110.2 | F615 G619 Y636 D901 S903 | F615-H898 AromaticContact CD1-CD2 3.52Å; F615-H898 HydrophobicContact CE1-CB 4.27Å; F615-H898 AromaticContact CE1-CD2 3.44Å; F615-H898 VanDerWaalsContact CE1-CD2 3.44Å; F615-H898 WeakPolarHBondContact CE1-CD2 3.5Å; F615-H898 HydrophobicContact CE2-CB 4.02Å; F615-H898 HydrophobicContact CZ-CB 3.83Å; F615-H898 AromaticContact CZ-CD2 3.92Å; G619-H898 VanDerWaalsContact C-NE2 3.34Å; G619-H898 WeakPolarHBondContact CA-NE2 3.45Å; G619-H898 PolarHBondContact O-NE2 2.96Å; Y636-H898 AromaticContact CE1-CE1 3.5Å; Y636-H898 AromaticContact CE1-ND1 3.94Å; Y636-H898 AromaticContact CZ-CE1 3.54Å; Y636-H898 AromaticContact CZ-ND1 3.51Å; Y636-H898 PolarHBondContact OH-ND1 2.79Å; H898-D901 IonicContact CE1-OD2 3.01Å; H898-D901 PolarHBondContact CE1-OD2 2.78Å; H898-D901 PolarHBondContact ND1-N 2.82Å; H898-D901 IonicContact ND1-OD2 2.7Å; H898-D901 PolarHBondContact ND1-OD2 2.89Å; H898-S903 WeakPolarHBondContact CB-O 3.5Å; H898-S903 PolarHBondContact N-O 3.08Å | ||
| 899 | T | 90.1 | Very high | 95.8 | Very high | 56 Ų | 56 | 37.8 Ų | 37.8 | 34% | 0.344 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -80.5 | -16.5 | -174.8 | 51 | 0 | 0 | 0 | 0 | 113.7 | P617 G619 | P617-T899 PolarHBondContact O-OG1 2.81Å; G619-T899 WeakPolarHBondContact CA-OG1 3.13Å |
| 900 | Q | 88.1 | Confident | 95.8 | Very high | 154 Ų | 154 | 30.1 Ų | 30.1 | 72% | 0.72 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -135.6 | -59.1 | -175.6 | -61.2 | -179.2 | 8.8 | 0 | 0 | 111.7 | ||
| 901 | D | 88.8 | Confident | 95.8 | Very high | 72 Ų | 72 | 33.4 Ų | 33.4 | 39% | 0.385 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -73.1 | 159 | -177.8 | -48.7 | -53.4 | 0 | 0 | 0 | 113.3 | Y636 H898 S903 | Y636-D901 VanDerWaalsContact CE1-OD2 3.23Å; Y636-D901 WeakPolarHBondContact CE1-OD2 3.48Å; Y636-D901 PolarHBondContact OH-OD2 2.85Å; H898-D901 IonicContact CE1-OD2 3.01Å; H898-D901 PolarHBondContact CE1-OD2 2.78Å; H898-D901 PolarHBondContact ND1-N 2.82Å; H898-D901 IonicContact ND1-OD2 2.7Å; H898-D901 PolarHBondContact ND1-OD2 2.89Å; D901-S903 PolarHBondContact O-N 3.4Å |
| 902 | L | 90.4 | Very high | 95.8 | Very high | 65 Ų | 65 | 30.5 Ų | 30.5 | 34% | 0.34 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -76.3 | 62.5 | 169.1 | -164.4 | 60.3 | 0 | 0 | 0 | 111.2 | F598 Y857 W897 Y918 | F598-L902 HydrophobicContact CE1-CG 4.34Å; F598-L902 WeakPolarHBondContact CE1-O 3.39Å; F598-L902 HydrophobicContact CZ-CD1 4.46Å; F598-L902 HydrophobicContact CZ-CG 4.09Å; Y857-L902 HydrophobicContact CD2-CD1 4.4Å; W897-L902 HydrophobicContact CH2-CD1 4.15Å; W897-L902 HydrophobicContact CZ3-CD1 3.76Å; L902-Y918 HydrophobicContact CD2-CD1 4.34Å; L902-Y918 HydrophobicContact CD2-CD2 3.49Å; L902-Y918 VanDerWaalsContact CD2-CD2 3.49Å; L902-Y918 HydrophobicContact CD2-CE2 4.07Å; L902-Y918 HydrophobicContact CD2-CG 3.64Å; L902-Y918 HydrophobicContact CG-CD2 4.24Å; L902-Y918 HydrophobicContact CG-CG 4.26Å; L902-Y918 WeakPolarHBondContact O-CB 3.41Å; L902-Y918 PolarHBondContact O-N 3.37Å |
| 903 | S | 93.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155 | 179 | -84 | 0 | 0 | 0 | 0 | 110.9 | Y636 H898 D901 W916 T917 | Y636-S903 WeakPolarHBondContact OH-CB 3.24Å; Y636-S903 PolarHBondContact OH-OG 3.04Å; H898-S903 WeakPolarHBondContact CB-O 3.5Å; H898-S903 PolarHBondContact N-O 3.08Å; D901-S903 PolarHBondContact O-N 3.4Å; S903-W916 CarbonylContact C-O 3.55Å; S903-W916 WeakPolarHBondContact CA-O 3.39Å; S903-W916 WeakPolarHBondContact CB-O 3.44Å; S903-W916 PolarHBondContact OG-O 3.14Å; S903-T917 WeakPolarHBondContact OG-CA 3.09Å; S903-T917 VanDerWaalsContact OG-CB 3.29Å; S903-T917 WeakPolarHBondContact OG-CB 3.47Å; S903-T917 PolarHBondContact OG-OG1 3.19Å |
| 904 | F | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 152.4 | 173.9 | 65.4 | -96.1 | 0 | 0 | 0 | 113.3 | F598 L859 I867 V885 R896 W897 W916 | F598-F904 HydrophobicContact CB-CE1 4.43Å; F598-F904 AromaticContact CD1-CD1 3.96Å; F598-F904 HydrophobicContact CD1-CD1 3.96Å; F598-F904 AromaticContact CD1-CE1 3.45Å; F598-F904 HydrophobicContact CD1-CE1 3.45Å; F598-F904 VanDerWaalsContact CD1-CE1 3.45Å; F598-F904 HydrophobicContact CD1-CZ 4.43Å; F598-F904 HydrophobicContact CD2-CE1 4.49Å; F598-F904 AromaticContact CE1-CD1 3.86Å; F598-F904 HydrophobicContact CE1-CD1 3.86Å; F598-F904 AromaticContact CE1-CE1 3.71Å; F598-F904 HydrophobicContact CE1-CE1 3.71Å; F598-F904 AromaticContact CG-CE1 3.88Å; F598-F904 HydrophobicContact CG-CE1 3.88Å; F598-F904 HydrophobicContact CZ-CE1 4.34Å; L859-F904 HydrophobicContact CD1-CD1 4.2Å; L859-F904 HydrophobicContact CD1-CD2 4.3Å; L859-F904 HydrophobicContact CD1-CE1 4.27Å; L859-F904 HydrophobicContact CD1-CE2 4.39Å; L859-F904 HydrophobicContact CD1-CG 4.22Å; L859-F904 HydrophobicContact CD1-CZ 4.39Å; L859-F904 HydrophobicContact CD2-CB 3.64Å; L859-F904 HydrophobicContact CD2-CD1 4.37Å; L859-F904 HydrophobicContact CD2-CD2 4.07Å; L859-F904 HydrophobicContact CD2-CG 3.79Å; I867-F904 HydrophobicContact CD1-CE2 3.98Å; I867-F904 HydrophobicContact CG2-CE2 3.85Å; I867-F904 HydrophobicContact CG2-CZ 4.14Å; V885-F904 HydrophobicContact CB-CE1 4.16Å; V885-F904 HydrophobicContact CB-CZ 4.06Å; V885-F904 HydrophobicContact CG2-CE1 3.75Å; V885-F904 HydrophobicContact CG2-CE2 4.45Å; V885-F904 HydrophobicContact CG2-CZ 3.48Å; V885-F904 VanDerWaalsContact CG2-CZ 3.48Å; R896-F904 CarbonylContact O-C 3.58Å; R896-F904 WeakPolarHBondContact O-CA 3.27Å; R896-F904 VanDerWaalsContact O-CB 3.27Å; R896-F904 WeakPolarHBondContact O-CB 3.32Å; W897-F904 HydrophobicContact CD2-CB 4.49Å; W897-F904 HydrophobicContact CE3-CB 4.04Å; W897-F904 HydrophobicContact CE3-CD1 4.4Å; W897-F904 HydrophobicContact CH2-CD1 4.44Å; W897-F904 HydrophobicContact CZ3-CB 4.45Å; W897-F904 AromaticContact CZ3-CD1 3.97Å; W897-F904 HydrophobicContact CZ3-CD1 3.97Å; F904-W916 HydrophobicContact CD1-CB 4.3Å; F904-W916 HydrophobicContact CD2-CB 4.19Å; F904-W916 AromaticContact CD2-CD1 3.59Å; F904-W916 HydrophobicContact CD2-CG 4.13Å; F904-W916 HydrophobicContact CE1-CB 3.9Å; F904-W916 HydrophobicContact CE1-CG 4.4Å; F904-W916 HydrophobicContact CE2-CB 3.77Å; F904-W916 AromaticContact CE2-CD1 3.12Å; F904-W916 HydrophobicContact CE2-CD2 4.23Å; F904-W916 AromaticContact CE2-CG 3.45Å; F904-W916 HydrophobicContact CE2-CG 3.45Å; F904-W916 VanDerWaalsContact CE2-CG 3.45Å; F904-W916 AromaticContact CE2-NE1 3.7Å; F904-W916 HydrophobicContact CG-CB 4.42Å; F904-W916 HydrophobicContact CZ-CB 3.59Å; F904-W916 AromaticContact CZ-CD1 3.79Å; F904-W916 HydrophobicContact CZ-CD2 4.25Å; F904-W916 AromaticContact CZ-CG 3.61Å; F904-W916 HydrophobicContact CZ-CG 3.61Å; F904-W916 PolarHBondContact N-O 2.72Å; F904-W916 PolarHBondContact O-N 2.89Å |
| 905 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 144.2 | 168.2 | -73.9 | 164.7 | 0 | 0 | 0 | 110.3 | F615 Y622 C895 R896 V913 T914 L915 | F615-L905 HydrophobicContact CD1-CD1 4.13Å; F615-L905 HydrophobicContact CD2-CD1 3.89Å; F615-L905 HydrophobicContact CE1-CD1 3.78Å; F615-L905 HydrophobicContact CE1-CG 4.22Å; F615-L905 HydrophobicContact CE2-CB 4.12Å; F615-L905 HydrophobicContact CE2-CD1 3.53Å; F615-L905 HydrophobicContact CE2-CG 3.68Å; F615-L905 HydrophobicContact CG-CD1 4.2Å; F615-L905 HydrophobicContact CZ-CB 4.42Å; F615-L905 HydrophobicContact CZ-CD1 3.49Å; F615-L905 VanDerWaalsContact CZ-CD1 3.49Å; F615-L905 HydrophobicContact CZ-CG 3.53Å; Y622-L905 HydrophobicContact CD1-CD1 4.26Å; Y622-L905 HydrophobicContact CD2-CD1 3.46Å; Y622-L905 VanDerWaalsContact CD2-CD1 3.46Å; Y622-L905 HydrophobicContact CD2-CD2 3.92Å; Y622-L905 HydrophobicContact CD2-CG 4.37Å; Y622-L905 HydrophobicContact CE1-CD2 4.49Å; Y622-L905 HydrophobicContact CE2-CD1 4.12Å; Y622-L905 HydrophobicContact CE2-CD2 3.67Å; Y622-L905 HydrophobicContact CG-CD1 3.52Å; Y622-L905 HydrophobicContact CG-CD2 4.4Å; C895-L905 CarbonylContact C-O 3.51Å; C895-L905 VanDerWaalsContact CA-O 3.31Å; C895-L905 WeakPolarHBondContact CA-O 3.3Å; R896-L905 PolarHBondContact N-O 2.69Å; R896-L905 PolarHBondContact O-N 2.99Å; L905-V913 HydrophobicContact CD2-CG1 3.93Å; L905-T914 WeakPolarHBondContact CA-O 3.34Å; L905-L915 HydrophobicContact CD2-CB 3.9Å; L905-L915 HydrophobicContact CD2-CD1 4.07Å; L905-L915 HydrophobicContact CG-CD1 4.27Å |
| 906 | S | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.3 | 166.4 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | I867 H888 Q894 V913 T914 W916 | I867-S906 WeakPolarHBondContact CD1-OG 3.41Å; H888-S906 PolarHBondContact NE2-OG 3.19Å; Q894-S906 CarbonylContact O-C 3.51Å; Q894-S906 VanDerWaalsContact O-CA 3.32Å; Q894-S906 WeakPolarHBondContact O-CA 3.48Å; S906-V913 CarbonylContact O-C 3.57Å; S906-V913 VanDerWaalsContact O-CA 3.24Å; S906-V913 WeakPolarHBondContact O-CA 3.49Å; S906-T914 PolarHBondContact N-O 3.31Å; S906-T914 PolarHBondContact O-N 2.93Å; S906-W916 PolarHBondContact OG-NE1 2.82Å |
| 907 | S | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.9 | 173.4 | 69 | 0 | 0 | 0 | 0 | 110.9 | V610 R611 I893 Q894 | V610-S907 WeakPolarHBondContact O-CB 3.46Å; R611-S907 PolarHBondContact O-OG 3.37Å; I893-S907 PolarHBondContact N-O 3Å; Q894-S907 PolarHBondContact N-OG 3.04Å; Q894-S907 PolarHBondContact O-N 3.22Å; Q894-S907 PolarHBondContact O-OG 3.17Å |
| 908 | S | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.3 | -177.9 | 171.1 | 0 | 0 | 0 | 0 | 114.2 | V610 H888 D890 K891 D910 R911 T912 | V610-S908 PolarHBondContact N-O 3.48Å; V610-S908 VanDerWaalsContact N-O 3.14Å; V610-S908 PolarHBondContact O-N 2.87Å; H888-S908 VanDerWaalsContact CG-CB 3.49Å; H888-S908 VanDerWaalsContact ND1-CB 3.26Å; H888-S908 WeakPolarHBondContact ND1-CB 3.47Å; D890-S908 PolarHBondContact O-OG 2.67Å; K891-S908 WeakPolarHBondContact O-CA 3.38Å; K891-S908 PolarHBondContact O-OG 2.94Å; K891-S908 VanDerWaalsContact O-OG 3.08Å; S908-D910 VanDerWaalsContact CB-OD1 3.29Å; S908-D910 WeakPolarHBondContact CB-OD1 3.35Å; S908-D910 PolarHBondContact O-N 3.32Å; S908-D910 VanDerWaalsContact OG-CG 3.22Å; S908-D910 PolarHBondContact OG-N 3.18Å; S908-D910 PolarHBondContact OG-OD1 2.88Å; S908-R911 PolarHBondContact O-N 3.27Å; S908-T912 PolarHBondContact N-O 3.03Å; S908-T912 VanDerWaalsContact N-O 3.14Å |
| 909 | A | 98.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 21% | 0.207 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A609 D890 K891 I893 R911 | A609-A909 HydrophobicContact CB-CB 4.49Å; A609-A909 WeakPolarHBondContact CB-O 3.42Å; D890-A909 HydrophobicContact CB-CB 4.05Å; D890-A909 VanDerWaalsContact OD2-CB 3.24Å; D890-A909 WeakPolarHBondContact OD2-CB 3.29Å; K891-A909 HydrophobicContact CB-CB 4.01Å; K891-A909 PolarHBondContact O-N 2.86Å; I893-A909 HydrophobicContact CD1-CB 4.33Å; A909-R911 PolarHBondContact O-N 2.84Å |
| 910 | D | 97.6 | Very high | 92.3 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 5.6 | 176.2 | 74.2 | 10.5 | 0 | 0 | 0 | 114.7 | H888 K889 D890 S908 T912 | H888-D910 WeakPolarHBondContact CB-OD2 3.4Å; H888-D910 IonicContact CG-OD2 3.89Å; H888-D910 IonicContact ND1-OD1 3.52Å; H888-D910 PolarHBondContact ND1-OD1 2.9Å; H888-D910 IonicContact ND1-OD2 3.27Å; H888-D910 PolarHBondContact ND1-OD2 3.11Å; K889-D910 HydrophobicContact CB-CB 3.89Å; K889-D910 PolarHBondContact N-OD2 2.89Å; D890-D910 HydrophobicContact CB-CB 3.84Å; S908-D910 VanDerWaalsContact CB-OD1 3.29Å; S908-D910 WeakPolarHBondContact CB-OD1 3.35Å; S908-D910 PolarHBondContact O-N 3.32Å; S908-D910 VanDerWaalsContact OG-CG 3.22Å; S908-D910 PolarHBondContact OG-N 3.18Å; S908-D910 PolarHBondContact OG-OD1 2.88Å; D910-T912 VanDerWaalsContact C-N 3.27Å; D910-T912 PolarHBondContact O-N 2.92Å; D910-T912 VanDerWaalsContact OD1-CB 3.3Å; D910-T912 WeakPolarHBondContact OD1-CB 3.47Å; D910-T912 PolarHBondContact OD1-N 3.14Å; D910-T912 PolarHBondContact OD1-OG1 3.32Å; D910-T912 PolarHBondContact OD2-OG1 3.08Å |
| 911 | R | 97.9 | Very high | 92.5 | Very high | 129 Ų | 129 | 33.1 Ų | 33.1 | 49% | 0.487 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 74.3 | 10 | 178.9 | -37.5 | 173.8 | -168.9 | 147.9 | 4.3 | 114.2 | D606 V610 S908 A909 | D606-R911 PolarHBondContact N-O 3.39Å; D606-R911 WeakPolarHBondContact O-CB 3.17Å; V610-R911 WeakPolarHBondContact CG2-O 3.5Å; S908-R911 PolarHBondContact O-N 3.27Å; A909-R911 PolarHBondContact O-N 2.84Å |
| 912 | T | 97.6 | Very high | 92.7 | Very high | 20 Ų | 20 | 31.1 Ų | 31.1 | 12% | 0.123 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 154.4 | 177.5 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | T603 L604 H888 S908 D910 | T603-T912 HydrophobicContact CG2-CG2 3.92Å; L604-T912 CarbonylContact O-C 3.52Å; L604-T912 VanDerWaalsContact O-CA 3.22Å; L604-T912 WeakPolarHBondContact O-CA 3.42Å; H888-T912 PolarHBondContact CE1-OG1 3.47Å; H888-T912 PolarHBondContact ND1-OG1 3.14Å; S908-T912 PolarHBondContact N-O 3.03Å; S908-T912 VanDerWaalsContact N-O 3.14Å; D910-T912 VanDerWaalsContact C-N 3.27Å; D910-T912 PolarHBondContact O-N 2.92Å; D910-T912 VanDerWaalsContact OD1-CB 3.3Å; D910-T912 WeakPolarHBondContact OD1-CB 3.47Å; D910-T912 PolarHBondContact OD1-N 3.14Å; D910-T912 PolarHBondContact OD1-OG1 3.32Å; D910-T912 PolarHBondContact OD2-OG1 3.08Å |
| 913 | V | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.8 | 155 | 162.3 | 0 | 0 | 0 | 0 | 108.1 | T603 L604 V610 V613 Y622 V624 L905 S906 | T603-V913 WeakPolarHBondContact CA-O 3.49Å; L604-V913 HydrophobicContact CB-CB 4.39Å; L604-V913 PolarHBondContact N-O 3.21Å; L604-V913 PolarHBondContact O-N 3.24Å; V610-V913 HydrophobicContact CB-CG2 3.94Å; V610-V913 HydrophobicContact CG1-CG2 3.43Å; V610-V913 VanDerWaalsContact CG1-CG2 3.43Å; V613-V913 HydrophobicContact CG1-CB 4.45Å; V613-V913 HydrophobicContact CG1-CG1 3.9Å; V613-V913 HydrophobicContact CG1-CG2 3.61Å; Y622-V913 HydrophobicContact CE2-CG1 4.26Å; V624-V913 HydrophobicContact CG1-CG2 3.94Å; V624-V913 HydrophobicContact CG2-CG1 4.45Å; L905-V913 HydrophobicContact CD2-CG1 3.93Å; S906-V913 CarbonylContact O-C 3.57Å; S906-V913 VanDerWaalsContact O-CA 3.24Å; S906-V913 WeakPolarHBondContact O-CA 3.49Å |
| 914 | T | 96.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.9 | -177.2 | -59.4 | 0 | 0 | 0 | 0 | 110.5 | C600 N602 L905 S906 W916 | C600-T914 HydrophobicContact CB-CG2 4.2Å; C600-T914 WeakPolarHBondContact SG-CG2 3.24Å; N602-T914 WeakPolarHBondContact O-CA 3.33Å; L905-T914 WeakPolarHBondContact CA-O 3.34Å; S906-T914 PolarHBondContact N-O 3.31Å; S906-T914 PolarHBondContact O-N 2.93Å; T914-W916 HydrophobicContact CG2-CD2 3.9Å; T914-W916 HydrophobicContact CG2-CG 4.23Å; T914-W916 HydrophobicContact CG2-CH2 4.38Å; T914-W916 HydrophobicContact CG2-CZ2 3.67Å |
| 915 | L | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.9 | 167.8 | 175.6 | 62.5 | 0 | 0 | 0 | 109.1 | I601 N602 F615 Y636 P637 L905 | I601-L915 HydrophobicContact CB-CD2 4.46Å; I601-L915 HydrophobicContact CB-CG 4.38Å; I601-L915 HydrophobicContact CG2-CD2 4.14Å; I601-L915 PolarHBondContact N-O 3.11Å; N602-L915 HydrophobicContact CB-CB 4.14Å; N602-L915 PolarHBondContact O-N 3.25Å; F615-L915 HydrophobicContact CZ-CD1 4.22Å; Y636-L915 HydrophobicContact CD2-CD1 4.31Å; Y636-L915 HydrophobicContact CD2-CD2 3.91Å; Y636-L915 HydrophobicContact CE2-CD1 3.86Å; Y636-L915 HydrophobicContact CE2-CD2 3.92Å; P637-L915 HydrophobicContact CG-CD2 4.04Å; L905-L915 HydrophobicContact CD2-CB 3.9Å; L905-L915 HydrophobicContact CD2-CD1 4.07Å; L905-L915 HydrophobicContact CG-CD1 4.27Å |
| 916 | W | 94.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 35 Ų | 35 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.9 | 177.4 | -48.1 | 80.2 | 0 | 0 | 0 | 109.6 | I599 C600 I867 S903 F904 S906 T914 | I599-W916 VanDerWaalsContact O-CA 3.28Å; I599-W916 WeakPolarHBondContact O-CA 3.38Å; C600-W916 HydrophobicContact CB-CE3 4.06Å; C600-W916 HydrophobicContact CB-CZ3 4Å; I867-W916 HydrophobicContact CD1-CZ2 4.23Å; S903-W916 CarbonylContact C-O 3.55Å; S903-W916 WeakPolarHBondContact CA-O 3.39Å; S903-W916 WeakPolarHBondContact CB-O 3.44Å; S903-W916 PolarHBondContact OG-O 3.14Å; F904-W916 HydrophobicContact CD1-CB 4.3Å; F904-W916 HydrophobicContact CD2-CB 4.19Å; F904-W916 AromaticContact CD2-CD1 3.59Å; F904-W916 HydrophobicContact CD2-CG 4.13Å; F904-W916 HydrophobicContact CE1-CB 3.9Å; F904-W916 HydrophobicContact CE1-CG 4.4Å; F904-W916 HydrophobicContact CE2-CB 3.77Å; F904-W916 AromaticContact CE2-CD1 3.12Å; F904-W916 HydrophobicContact CE2-CD2 4.23Å; F904-W916 AromaticContact CE2-CG 3.45Å; F904-W916 HydrophobicContact CE2-CG 3.45Å; F904-W916 VanDerWaalsContact CE2-CG 3.45Å; F904-W916 AromaticContact CE2-NE1 3.7Å; F904-W916 HydrophobicContact CG-CB 4.42Å; F904-W916 HydrophobicContact CZ-CB 3.59Å; F904-W916 AromaticContact CZ-CD1 3.79Å; F904-W916 HydrophobicContact CZ-CD2 4.25Å; F904-W916 AromaticContact CZ-CG 3.61Å; F904-W916 HydrophobicContact CZ-CG 3.61Å; F904-W916 PolarHBondContact N-O 2.72Å; F904-W916 PolarHBondContact O-N 2.89Å; S906-W916 PolarHBondContact OG-NE1 2.82Å; T914-W916 HydrophobicContact CG2-CD2 3.9Å; T914-W916 HydrophobicContact CG2-CG 4.23Å; T914-W916 HydrophobicContact CG2-CH2 4.38Å; T914-W916 HydrophobicContact CG2-CZ2 3.67Å |
| 917 | T | 91.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151 | 170.9 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | F598 I599 I601 I640 S903 | F598-T917 CarbonylContact C-O 3.6Å; F598-T917 WeakPolarHBondContact CA-O 3.48Å; F598-T917 VanDerWaalsContact CD1-C 3.42Å; I599-T917 HydrophobicContact CD1-CG2 4.17Å; I599-T917 HydrophobicContact CG1-CG2 3.66Å; I599-T917 PolarHBondContact N-O 3.36Å; I599-T917 PolarHBondContact O-N 2.69Å; I601-T917 HydrophobicContact CD1-CG2 3.55Å; I601-T917 HydrophobicContact CG1-CG2 3.42Å; I601-T917 VanDerWaalsContact CG1-CG2 3.42Å; I640-T917 HydrophobicContact CG2-CG2 3.79Å; S903-T917 WeakPolarHBondContact OG-CA 3.09Å; S903-T917 VanDerWaalsContact OG-CB 3.29Å; S903-T917 WeakPolarHBondContact OG-CB 3.47Å; S903-T917 PolarHBondContact OG-OG1 3.19Å |
| 918 | Y | 86.8 | Confident | 91.4 | Very high | 83 Ų | 83 | 40.4 Ų | 40.4 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 142.9 | 164.2 | -170 | -92.1 | 0 | 0 | 0 | 110.9 | Q597 F598 L902 | Q597-Y918 VanDerWaalsContact CD-CE2 3.47Å; Q597-Y918 HydrophobicContact CG-CD2 4.09Å; Q597-Y918 HydrophobicContact CG-CE2 3.45Å; Q597-Y918 VanDerWaalsContact CG-CE2 3.45Å; Q597-Y918 VanDerWaalsContact NE2-CE2 3.35Å; Q597-Y918 PolarHBondContact NE2-OH 3.17Å; Q597-Y918 CarbonylContact O-C 3.57Å; Q597-Y918 WeakPolarHBondContact O-CA 3.48Å; F598-Y918 HydrophobicContact CD2-CD2 4.42Å; F598-Y918 HydrophobicContact CE1-CD2 4.42Å; F598-Y918 AromaticContact CE2-CD2 3.86Å; F598-Y918 HydrophobicContact CE2-CD2 3.86Å; F598-Y918 AromaticContact CZ-CD2 3.87Å; F598-Y918 HydrophobicContact CZ-CD2 3.87Å; L902-Y918 HydrophobicContact CD2-CD1 4.34Å; L902-Y918 HydrophobicContact CD2-CD2 3.49Å; L902-Y918 VanDerWaalsContact CD2-CD2 3.49Å; L902-Y918 HydrophobicContact CD2-CE2 4.07Å; L902-Y918 HydrophobicContact CD2-CG 3.64Å; L902-Y918 HydrophobicContact CG-CD2 4.24Å; L902-Y918 HydrophobicContact CG-CG 4.26Å; L902-Y918 WeakPolarHBondContact O-CB 3.41Å; L902-Y918 PolarHBondContact O-N 3.37Å |
| 919 | N | 77.4 | Confident | 90.8 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | trans | -118.5 | 93.9 | 179.2 | -178.5 | 36.7 | 0 | 0 | 0 | 108.3 | Q597 I599 P642 | Q597-N919 PolarHBondContact O-N 2.8Å; I599-N919 HydrophobicContact CD1-CB 4.3Å; I599-N919 HydrophobicContact CG1-CB 4.23Å; I599-N919 HydrophobicContact CG2-CB 3.9Å; P642-N919 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 920 | G | 58.1 | Low | 90.1 | Very high | 123 Ų | 123 | 45.5 Ų | 45.5 | 100% | 1.268 | 27% | 0.268 | S | S | * | . | trans | -117.4 | 0 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 920 of 920 residues in 1918.1 ms
(Link to these results)