| 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 | 31.6 | Very low | 50.3 | Low | 233 Ų | 233 | 88.5 Ų | 88.5 | 100% | 1.148 | 53% | 0.53 | S | S | * | . | 0 | 142.9 | 0 | -65.7 | -178.6 | -179.4 | 0 | 0 | 108.4 | G3 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.8Å | |||
| 2 | P | 35 | Very low | 51.6 | Low | 55 Ų | 55 | 89.6 Ų | 89.6 | 36% | 0.357 | 53% | 0.526 | S | S | . | . | trans | -75.3 | 85.6 | 175.9 | 31 | -33.9 | 0 | 0 | 0 | 110.4 | ||||
| 3 | G | 38.7 | Very low | 53.2 | Low | 51 Ų | 51 | 87 Ų | 87 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | trans | -84.6 | -34.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1 K5 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 2.8Å; G3-K5 VanDerWaalsContact C-N 3.3Å; G3-K5 PolarHBondContact O-N 2.74Å | ||
| 4 | G | 40.7 | Very low | 54.5 | Low | 78 Ų | 78 | 83.9 Ų | 83.9 | 80% | 0.804 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 5 | K | 52.6 | Low | 56.1 | Low | 98 Ų | 98 | 78.9 Ų | 78.9 | 43% | 0.426 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 15.2 | -173.6 | -66.9 | -162.6 | 174.5 | 102.4 | 0 | 115.5 | G3 G7 D339 E343 | G3-K5 VanDerWaalsContact C-N 3.3Å; G3-K5 PolarHBondContact O-N 2.74Å; K5-G7 VanDerWaalsContact C-N 3.27Å; K5-D339 PolarHBondContact NZ-O 3.42Å; K5-E343 WeakPolarHBondContact CD-OE1 3.44Å; K5-E343 WeakPolarHBondContact CE-OE1 3.33Å; K5-E343 IonicContact NZ-OE1 2.64Å; K5-E343 PolarHBondContact NZ-OE1 3.23Å |
| 6 | R | 55.2 | Low | 57.4 | Low | 140 Ų | 140 | 77.9 Ų | 77.9 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -81.6 | -5.1 | 170.1 | -65.5 | -176.2 | 177 | -171.3 | -4.2 | 113.7 | V9 Y210 | R6-V9 WeakPolarHBondContact O-CG2 3.46Å; R6-Y210 HydrophobicContact CB-CD1 4.31Å; R6-Y210 HydrophobicContact CG-CG 4.4Å |
| 7 | G | 54.7 | Low | 58.5 | Low | 19 Ų | 19 | 80.9 Ų | 80.9 | 20% | 0.196 | 46% | 0.461 | C | S | . | . | trans | 68.3 | -178.8 | -159.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K5 V9 G275 | K5-G7 VanDerWaalsContact C-N 3.27Å; G7-V9 PolarHBondContact O-N 3.42Å; G7-G275 CarbonylContact C-O 3.58Å; G7-G275 WeakPolarHBondContact CA-O 3.35Å | ||
| 8 | L | 58.7 | Low | 59.4 | Low | 127 Ų | 127 | 78.9 Ų | 78.9 | 67% | 0.665 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -75.8 | 56.5 | 177.9 | -68.5 | 172.8 | 0 | 0 | 0 | 112.1 | G275 | L8-G275 PolarHBondContact N-O 3.45Š|
| 9 | V | 60.3 | Low | 60.3 | Low | 44 Ų | 44 | 74.9 Ų | 74.9 | 27% | 0.267 | 43% | 0.427 | S | S | . | . | trans | -102.7 | 93.3 | -179 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | R6 G7 P200 Y210 V277 | R6-V9 WeakPolarHBondContact O-CG2 3.46Å; G7-V9 PolarHBondContact O-N 3.42Å; V9-P200 HydrophobicContact CG1-CG 3.84Å; V9-Y210 HydrophobicContact CG2-CE1 4.21Å; V9-V277 HydrophobicContact CG2-CB 3.97Å; V9-V277 HydrophobicContact CG2-CG2 3.35Å | ||
| 10 | A | 62.6 | Low | 61.1 | Low | 47 Ų | 47 | 74.4 Ų | 74.4 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | trans | -100.7 | 157.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q12 | A10-Q12 HydrophobicContact CB-CG 4.31Å; A10-Q12 PolarHBondContact O-N 2.81Å | ||
| 11 | P | 63.2 | Low | 61.5 | Low | 81 Ų | 81 | 80 Ų | 80 | 53% | 0.526 | 44% | 0.439 | S | S | . | . | trans | -59.4 | 129.6 | 157.4 | 28.4 | -33.2 | 0 | 0 | 0 | 108.3 | E198 | P11-E198 WeakPolarHBondContact CA-O 3.39Š| ||
| 12 | Q | 65.4 | Low | 63.3 | Low | 102 Ų | 102 | 75 Ų | 75 | 48% | 0.477 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -136 | 134.4 | -172.5 | -74.1 | -179 | 15.1 | 0 | 0 | 110.3 | A10 T14 E198 | A10-Q12 HydrophobicContact CB-CG 4.31Å; A10-Q12 PolarHBondContact O-N 2.81Å; Q12-T14 HydrophobicContact CB-CG2 4.05Å; Q12-T14 PolarHBondContact O-N 3.48Å; Q12-E198 PolarHBondContact N-O 3.42Å; Q12-E198 VanDerWaalsContact N-O 3.07Å |
| 13 | N | 72.3 | Confident | 64.7 | Low | 56 Ų | 56 | 72.6 Ų | 72.6 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | trans | -77.9 | 69.7 | 175 | -164.8 | -3.7 | 0 | 0 | 0 | 111 | F15 Y195 K196 Q197 | N13-F15 PolarHBondContact O-N 3.43Å; N13-F15 WeakPolarHBondContact OD1-CB 3.29Å; N13-Y195 WeakPolarHBondContact ND2-CE2 3.42Å; N13-K196 PolarHBondContact OD1-O 2.87Å; N13-Q197 HydrophobicContact CB-CG 4.35Å | ||
| 14 | T | 71.7 | Confident | 65.7 | Low | 44 Ų | 44 | 74.6 Ų | 74.6 | 27% | 0.27 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 10.9 | 177.1 | 56.9 | 0 | 0 | 0 | 0 | 113 | Q12 L16 E17 N18 | Q12-T14 HydrophobicContact CB-CG2 4.05Å; Q12-T14 PolarHBondContact O-N 3.48Å; T14-L16 PolarHBondContact O-N 3.34Å; T14-E17 PolarHBondContact O-N 3.16Å; T14-N18 WeakPolarHBondContact O-CB 3.3Å; T14-N18 PolarHBondContact O-N 3.29Å; T14-N18 PolarHBondContact O-ND2 3.22Å; T14-N18 PolarHBondContact OG1-ND2 2.81Å |
| 15 | F | 78.3 | Confident | 66.8 | Low | 9 Ų | 9 | 77.9 Ų | 77.9 | 4% | 0.039 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -48.7 | -50.3 | 178.8 | 165.9 | -96.4 | 0 | 0 | 0 | 113.1 | N13 N18 I19 L30 I114 L123 P193 Y195 | N13-F15 PolarHBondContact O-N 3.43Å; N13-F15 WeakPolarHBondContact OD1-CB 3.29Å; F15-N18 PolarHBondContact O-N 3.12Å; F15-I19 HydrophobicContact CD1-CD1 4.43Å; F15-I19 HydrophobicContact CD2-CD1 4.28Å; F15-I19 HydrophobicContact CE1-CD1 3.78Å; F15-I19 HydrophobicContact CE2-CD1 3.59Å; F15-I19 HydrophobicContact CE2-CG1 4.48Å; F15-I19 HydrophobicContact CZ-CD1 3.29Å; F15-I19 WeakPolarHBondContact O-CG1 3.41Å; F15-I19 PolarHBondContact O-N 2.63Å; F15-L30 HydrophobicContact CE1-CD1 3.84Å; F15-L30 HydrophobicContact CE1-CD2 4.26Å; F15-L30 HydrophobicContact CZ-CD2 4.14Å; F15-I114 HydrophobicContact CE2-CD1 4.14Å; F15-I114 HydrophobicContact CE2-CG1 4.31Å; F15-I114 HydrophobicContact CE2-CG2 3.66Å; F15-I114 HydrophobicContact CZ-CD1 3.63Å; F15-I114 HydrophobicContact CZ-CG1 4.29Å; F15-I114 HydrophobicContact CZ-CG2 4.08Å; F15-L123 HydrophobicContact CE1-CD1 3.99Å; F15-L123 HydrophobicContact CZ-CD1 4.13Å; F15-P193 HydrophobicContact CD2-CB 4.09Å; F15-P193 HydrophobicContact CD2-CG 3.93Å; F15-P193 WeakPolarHBondContact CD2-O 3.38Å; F15-P193 HydrophobicContact CE2-CG 4.13Å; F15-P193 VanDerWaalsContact CE2-O 3.3Å; F15-P193 WeakPolarHBondContact CE2-O 3.36Å; F15-Y195 HydrophobicContact CB-CD2 4.46Å; F15-Y195 AromaticContact CD1-CD2 3.82Å; F15-Y195 HydrophobicContact CD1-CD2 3.82Å; F15-Y195 HydrophobicContact CD1-CE2 4.33Å; F15-Y195 HydrophobicContact CD2-CD2 4.45Å; F15-Y195 HydrophobicContact CE1-CD2 4.16Å; F15-Y195 AromaticContact CG-CD2 3.99Å; F15-Y195 HydrophobicContact CG-CD2 3.99Å |
| 16 | L | 77.2 | Confident | 67.9 | Low | 62 Ų | 62 | 73.8 Ų | 73.8 | 33% | 0.325 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | -177.8 | -177.3 | 62.8 | 0 | 0 | 0 | 111.8 | T14 I19 V20 F28 L30 Y42 | T14-L16 PolarHBondContact O-N 3.34Å; L16-I19 PolarHBondContact O-N 3.36Å; L16-V20 WeakPolarHBondContact O-CG2 3.43Å; L16-V20 PolarHBondContact O-N 3.4Å; L16-F28 HydrophobicContact CD1-CE2 4.33Å; L16-F28 HydrophobicContact CD1-CZ 4.35Å; L16-L30 HydrophobicContact CD1-CD1 4.02Å; L16-Y42 HydrophobicContact CD1-CD1 3.9Å; L16-Y42 HydrophobicContact CD1-CE1 3.73Å; L16-Y42 HydrophobicContact CD1-CE2 4.38Å; L16-Y42 HydrophobicContact CD1-CG 4.33Å; L16-Y42 HydrophobicContact CD2-CD2 4.2Å; L16-Y42 HydrophobicContact CD2-CE2 3.89Å |
| 17 | E | 75.9 | Confident | 69.5 | Low | 129 Ų | 129 | 67.9 Ų | 67.9 | 60% | 0.603 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 176.4 | -170.7 | -171 | 171 | 0 | 0 | 111.3 | T14 I19 V20 R21 | T14-E17 PolarHBondContact O-N 3.16Å; E17-I19 VanDerWaalsContact C-N 3.32Å; E17-I19 PolarHBondContact O-N 2.94Å; E17-V20 PolarHBondContact O-N 2.95Å; E17-R21 VanDerWaalsContact O-CB 3.28Å; E17-R21 WeakPolarHBondContact O-CB 3.41Å; E17-R21 PolarHBondContact O-N 3.5Å |
| 18 | N | 75.6 | Confident | 71.1 | Confident | 45 Ų | 45 | 67 Ų | 67 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 174.8 | -83.3 | -68.7 | 0 | 0 | 0 | 112.1 | T14 F15 R22 P193 | T14-N18 WeakPolarHBondContact O-CB 3.3Å; T14-N18 PolarHBondContact O-N 3.29Å; T14-N18 PolarHBondContact O-ND2 3.22Å; T14-N18 PolarHBondContact OG1-ND2 2.81Å; F15-N18 PolarHBondContact O-N 3.12Å; N18-R22 WeakPolarHBondContact O-CB 3.35Å; N18-R22 VanDerWaalsContact O-CG 3.26Å; N18-R22 WeakPolarHBondContact O-CG 3.28Å; N18-R22 PolarHBondContact O-N 2.89Å; N18-R22 VanDerWaalsContact O-N 3.07Å; N18-P193 HydrophobicContact CB-CG 4.43Å |
| 19 | I | 75.9 | Confident | 72.7 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -51.3 | 172.5 | -67 | 178.1 | 0 | 0 | 0 | 110 | F15 L16 E17 R21 R22 S23 F28 L30 L125 P193 | F15-I19 HydrophobicContact CD1-CD1 4.43Å; F15-I19 HydrophobicContact CD2-CD1 4.28Å; F15-I19 HydrophobicContact CE1-CD1 3.78Å; F15-I19 HydrophobicContact CE2-CD1 3.59Å; F15-I19 HydrophobicContact CE2-CG1 4.48Å; F15-I19 HydrophobicContact CZ-CD1 3.29Å; F15-I19 WeakPolarHBondContact O-CG1 3.41Å; F15-I19 PolarHBondContact O-N 2.63Å; L16-I19 PolarHBondContact O-N 3.36Å; E17-I19 VanDerWaalsContact C-N 3.32Å; E17-I19 PolarHBondContact O-N 2.94Å; I19-R21 VanDerWaalsContact C-N 3.27Å; I19-R21 PolarHBondContact O-N 3.06Å; I19-R22 PolarHBondContact O-N 3.28Å; I19-S23 WeakPolarHBondContact O-CA 3.12Å; I19-S23 WeakPolarHBondContact O-CB 3.43Å; I19-S23 PolarHBondContact O-N 2.82Å; I19-S23 PolarHBondContact O-OG 3.5Å; I19-F28 HydrophobicContact CB-CZ 4.44Å; I19-F28 HydrophobicContact CG2-CD1 4.27Å; I19-F28 HydrophobicContact CG2-CD2 4.2Å; I19-F28 HydrophobicContact CG2-CE1 3.78Å; I19-F28 HydrophobicContact CG2-CE2 3.72Å; I19-F28 HydrophobicContact CG2-CG 4.47Å; I19-F28 HydrophobicContact CG2-CZ 3.49Å; I19-F28 VanDerWaalsContact CG2-CZ 3.49Å; I19-L30 HydrophobicContact CD1-CD2 4.3Å; I19-L125 HydrophobicContact CD1-CD2 4.4Å; I19-L125 HydrophobicContact CG2-CD1 4.32Å; I19-P193 HydrophobicContact CD1-CG 4.4Å; I19-P193 HydrophobicContact CG1-CG 3.86Å |
| 20 | V | 75.8 | Confident | 74.3 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 38% | 0.382 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.3 | -38.7 | -179.6 | 170.4 | 0 | 0 | 0 | 0 | 112.1 | L16 E17 S23 S24 F28 | L16-V20 WeakPolarHBondContact O-CG2 3.43Å; L16-V20 PolarHBondContact O-N 3.4Å; E17-V20 PolarHBondContact O-N 2.95Å; V20-S23 PolarHBondContact O-N 3.31Å; V20-S24 WeakPolarHBondContact O-CA 3.34Å; V20-S24 PolarHBondContact O-N 3.31Å; V20-S24 VanDerWaalsContact O-N 3.11Å; V20-F28 HydrophobicContact CG2-CE1 4.25Å; V20-F28 HydrophobicContact CG2-CZ 3.91Å |
| 21 | R | 70.9 | Confident | 75.7 | Confident | 192 Ų | 192 | 57 Ų | 57 | 73% | 0.725 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70 | -38.1 | 178.4 | -165.2 | 178.1 | 76.4 | 158.9 | 2.4 | 112.9 | E17 I19 | E17-R21 VanDerWaalsContact O-CB 3.28Å; E17-R21 WeakPolarHBondContact O-CB 3.41Å; E17-R21 PolarHBondContact O-N 3.5Å; I19-R21 VanDerWaalsContact C-N 3.27Å; I19-R21 PolarHBondContact O-N 3.06Å |
| 22 | R | 69.3 | Low | 77.2 | Confident | 128 Ų | 128 | 54.8 Ų | 54.8 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -76.4 | -27.8 | 174.5 | -71 | 177.9 | -176.7 | -151.9 | 10.4 | 113.1 | N18 I19 D190 I191 | N18-R22 WeakPolarHBondContact O-CB 3.35Å; N18-R22 VanDerWaalsContact O-CG 3.26Å; N18-R22 WeakPolarHBondContact O-CG 3.28Å; N18-R22 PolarHBondContact O-N 2.89Å; N18-R22 VanDerWaalsContact O-N 3.07Å; I19-R22 PolarHBondContact O-N 3.28Å; R22-D190 PolarHBondContact NH1-O 2.82Å; R22-I191 PolarHBondContact NH1-O 3.14Å; R22-I191 PolarHBondContact NH2-O 2.91Å |
| 23 | S | 64.7 | Low | 78.5 | Confident | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -116.2 | 20.3 | -165.3 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | I19 V20 E25 S26 | I19-S23 WeakPolarHBondContact O-CA 3.12Å; I19-S23 WeakPolarHBondContact O-CB 3.43Å; I19-S23 PolarHBondContact O-N 2.82Å; I19-S23 PolarHBondContact O-OG 3.5Å; V20-S23 PolarHBondContact O-N 3.31Å; S23-E25 VanDerWaalsContact C-N 3.33Å; S23-E25 PolarHBondContact O-N 3.07Å; S23-S26 WeakPolarHBondContact CB-OG 3.49Å; S23-S26 PolarHBondContact O-N 3.14Å; S23-S26 PolarHBondContact O-OG 2.66Å |
| 24 | S | 59.3 | Low | 79.4 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 64% | 0.643 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -35.2 | -167.2 | 55.8 | 0 | 0 | 0 | 0 | 115.2 | V20 | V20-S24 WeakPolarHBondContact O-CA 3.34Å; V20-S24 PolarHBondContact O-N 3.31Å; V20-S24 VanDerWaalsContact O-N 3.11Å |
| 25 | E | 63.8 | Low | 80.4 | Confident | 147 Ų | 147 | 55.4 Ų | 55.4 | 69% | 0.687 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4.9 | 176.2 | -58.4 | -166.1 | 136.3 | 0 | 0 | 113.8 | S23 S161 | S23-E25 VanDerWaalsContact C-N 3.33Å; S23-E25 PolarHBondContact O-N 3.07Å; E25-S161 PolarHBondContact OE2-OG 3.44Å |
| 26 | S | 75.7 | Confident | 81 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -112.3 | 153.4 | -169.5 | 74.2 | 0 | 0 | 0 | 0 | 113.8 | S23 N44 | S23-S26 WeakPolarHBondContact CB-OG 3.49Å; S23-S26 PolarHBondContact O-N 3.14Å; S23-S26 PolarHBondContact O-OG 2.66Å; S26-N44 PolarHBondContact O-ND2 3.02Å |
| 27 | S | 87.4 | Confident | 81.5 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.9 | 175.5 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | N44 G46 F47 L50 T127 F128 | S27-N44 WeakPolarHBondContact CA-OD1 3.44Å; S27-G46 PolarHBondContact OG-O 2.96Å; S27-F47 PolarHBondContact OG-N 3.46Å; S27-L50 WeakPolarHBondContact OG-CD2 3.41Å; S27-T127 CarbonylContact O-C 3.56Å; S27-T127 WeakPolarHBondContact O-CA 3.19Å; S27-F128 PolarHBondContact O-N 3.03Å |
| 28 | F | 89.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160.4 | 178.1 | 74.7 | -93.9 | 0 | 0 | 0 | 113.9 | L16 I19 V20 L30 Y42 N44 L125 C126 T127 | L16-F28 HydrophobicContact CD1-CE2 4.33Å; L16-F28 HydrophobicContact CD1-CZ 4.35Å; I19-F28 HydrophobicContact CB-CZ 4.44Å; I19-F28 HydrophobicContact CG2-CD1 4.27Å; I19-F28 HydrophobicContact CG2-CD2 4.2Å; I19-F28 HydrophobicContact CG2-CE1 3.78Å; I19-F28 HydrophobicContact CG2-CE2 3.72Å; I19-F28 HydrophobicContact CG2-CG 4.47Å; I19-F28 HydrophobicContact CG2-CZ 3.49Å; I19-F28 VanDerWaalsContact CG2-CZ 3.49Å; V20-F28 HydrophobicContact CG2-CE1 4.25Å; V20-F28 HydrophobicContact CG2-CZ 3.91Å; F28-L30 HydrophobicContact CE2-CG 4.42Å; F28-Y42 AromaticContact CE2-CD1 3.92Å; F28-Y42 HydrophobicContact CE2-CD1 3.92Å; F28-Y42 AromaticContact CE2-CE1 3.71Å; F28-Y42 HydrophobicContact CE2-CE1 3.71Å; F28-Y42 AromaticContact CZ-CE1 3.9Å; F28-Y42 HydrophobicContact CZ-CE1 3.9Å; F28-N44 HydrophobicContact CD1-CB 3.91Å; F28-N44 VanDerWaalsContact CD1-ND2 3.33Å; F28-N44 WeakPolarHBondContact CD1-ND2 3.17Å; F28-N44 HydrophobicContact CE1-CB 3.64Å; F28-N44 WeakPolarHBondContact CE1-ND2 3.44Å; F28-N44 HydrophobicContact CE2-CB 4.39Å; F28-N44 HydrophobicContact CG-CB 4.39Å; F28-N44 HydrophobicContact CZ-CB 3.89Å; F28-N44 PolarHBondContact N-OD1 2.93Å; F28-N44 PolarHBondContact O-N 3.1Å; F28-N44 PolarHBondContact O-OD1 2.98Å; F28-L125 HydrophobicContact CB-CD1 3.95Å; F28-L125 HydrophobicContact CD2-CD1 3.64Å; F28-L125 HydrophobicContact CE2-CD1 4.43Å; F28-L125 HydrophobicContact CG-CD1 4Å; F28-C126 CarbonylContact C-O 3.53Å; F28-C126 VanDerWaalsContact CA-O 3.23Å; F28-C126 WeakPolarHBondContact CA-O 3.46Å; F28-C126 WeakPolarHBondContact CB-O 3.33Å; F28-T127 HydrophobicContact CB-CG2 4.13Å |
| 29 | L | 92.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 162.5 | 167.4 | 67.6 | 80 | 0 | 0 | 0 | 111.1 | V40 Y42 F47 C126 F128 | L29-V40 HydrophobicContact CB-CG1 4.07Å; L29-V40 HydrophobicContact CD1-CG1 4.49Å; L29-V40 HydrophobicContact CD1-CG2 3.96Å; L29-V40 HydrophobicContact CD2-CG2 4.1Å; L29-V40 HydrophobicContact CG-CG2 4.48Å; L29-Y42 CarbonylContact C-O 3.58Å; L29-Y42 VanDerWaalsContact CA-O 3.26Å; L29-Y42 WeakPolarHBondContact CA-O 3.37Å; L29-Y42 WeakPolarHBondContact CB-O 3.38Å; L29-F47 HydrophobicContact CD2-CE2 4.1Å; L29-F47 HydrophobicContact CD2-CZ 4.05Å; L29-C126 HydrophobicContact CD1-CB 3.75Å; L29-C126 HydrophobicContact CG-CB 3.96Å; L29-C126 PolarHBondContact N-O 2.95Å; L29-C126 PolarHBondContact O-N 2.96Å; L29-F128 HydrophobicContact CD2-CE2 3.74Å; L29-F128 HydrophobicContact CD2-CZ 4.04Å; L29-F128 HydrophobicContact CG-CE2 3.92Å |
| 30 | L | 92.6 | Very high | 84.3 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.2 | 171.8 | -63.9 | 169 | 0 | 0 | 0 | 108.8 | F15 L16 I19 F28 V40 V41 Y42 I114 F124 L125 | F15-L30 HydrophobicContact CE1-CD1 3.84Å; F15-L30 HydrophobicContact CE1-CD2 4.26Å; F15-L30 HydrophobicContact CZ-CD2 4.14Å; L16-L30 HydrophobicContact CD1-CD1 4.02Å; I19-L30 HydrophobicContact CD1-CD2 4.3Å; F28-L30 HydrophobicContact CE2-CG 4.42Å; L30-V40 CarbonylContact O-C 3.51Å; L30-V40 WeakPolarHBondContact O-CA 3.24Å; L30-V41 HydrophobicContact CB-CG2 4Å; L30-V41 WeakPolarHBondContact O-CG2 3.44Å; L30-V41 PolarHBondContact O-N 2.99Å; L30-Y42 HydrophobicContact CD1-CD1 4.21Å; L30-Y42 HydrophobicContact CD1-CG 4.46Å; L30-Y42 PolarHBondContact N-O 3.47Å; L30-Y42 PolarHBondContact O-N 3.27Å; L30-I114 HydrophobicContact CD2-CD1 3.84Å; L30-F124 WeakPolarHBondContact CA-O 3.43Å; L30-L125 HydrophobicContact CD2-CB 4.22Å; L30-L125 HydrophobicContact CD2-CD1 3.89Å |
| 31 | G | 93.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 150.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P39 L123 F124 | G31-P39 WeakPolarHBondContact CA-O 3.37Å; G31-L123 CarbonylContact O-C 3.48Å; G31-L123 VanDerWaalsContact O-CA 3.25Å; G31-L123 WeakPolarHBondContact O-CA 3.23Å; G31-L123 WeakPolarHBondContact O-CD2 3.48Å; G31-F124 PolarHBondContact N-O 2.96Å; G31-F124 PolarHBondContact O-N 2.79Å |
| 32 | N | 94.4 | Very high | 86.2 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.2 | 168 | -170.3 | -49.3 | 0 | 0 | 0 | 109.8 | Q34 I35 W38 P39 V41 | N32-Q34 PolarHBondContact OD1-N 3.37Å; N32-I35 HydrophobicContact CB-CB 4.44Å; N32-I35 HydrophobicContact CB-CD1 4.19Å; N32-I35 HydrophobicContact CB-CG1 4.38Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.37Å; N32-I35 PolarHBondContact OD1-N 2.68Å; N32-W38 WeakPolarHBondContact O-CA 3.28Å; N32-P39 HydrophobicContact CB-CG 4.3Å; N32-P39 PolarHBondContact N-O 2.95Å; N32-V41 HydrophobicContact CB-CG1 4.15Å |
| 33 | A | 92.9 | Very high | 87.3 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -84 | -15 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y88 V121 V122 F124 | A33-Y88 HydrophobicContact CB-CE1 4.24Å; A33-V121 HydrophobicContact CB-CG1 3.76Å; A33-V122 VanDerWaalsContact CB-C 3.49Å; A33-V122 PolarHBondContact N-O 2.81Å; A33-F124 HydrophobicContact CB-CD2 3.57Å; A33-F124 HydrophobicContact CB-CE2 3.51Å; A33-F124 HydrophobicContact CB-CZ 4.47Å |
| 34 | Q | 90.9 | Very high | 88.5 | Confident | 124 Ų | 124 | 45.2 Ų | 45.2 | 58% | 0.579 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -107.9 | -9.3 | -170.3 | -59.1 | -178.3 | -14.4 | 0 | 0 | 113.5 | N32 V121 | N32-Q34 PolarHBondContact OD1-N 3.37Å; Q34-V121 PolarHBondContact NE2-O 3.14Å |
| 35 | I | 92.5 | Very high | 89.9 | Confident | 90 Ų | 90 | 44.9 Ų | 44.9 | 46% | 0.462 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -102.3 | 136.7 | 177 | -57.8 | 173 | 0 | 0 | 0 | 108.8 | N32 W38 P39 | N32-I35 HydrophobicContact CB-CB 4.44Å; N32-I35 HydrophobicContact CB-CD1 4.19Å; N32-I35 HydrophobicContact CB-CG1 4.38Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.37Å; N32-I35 PolarHBondContact OD1-N 2.68Å; I35-W38 WeakPolarHBondContact O-CA 3.45Å; I35-W38 PolarHBondContact O-N 3.14Å; I35-P39 HydrophobicContact CB-CG 3.9Å; I35-P39 HydrophobicContact CD1-CG 4.31Å; I35-P39 HydrophobicContact CG2-CG 3.75Å |
| 36 | V | 89.6 | Confident | 91 | Very high | 124 Ų | 124 | 39 Ų | 39 | 75% | 0.752 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 146.4 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | W38 P39 | V36-W38 PolarHBondContact O-N 2.73Å; V36-W38 VanDerWaalsContact O-N 3.1Å; V36-P39 WeakPolarHBondContact O-CD 3.39Å |
| 37 | D | 88.9 | Confident | 91.7 | Very high | 116 Ų | 116 | 38.5 Ų | 38.5 | 62% | 0.62 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | 1.2 | -171.2 | -58.5 | -43 | 0 | 0 | 0 | 115.7 | S62 | D37-S62 VanDerWaalsContact O-CA 3.3Å; D37-S62 WeakPolarHBondContact O-CA 3.35Å; D37-S62 WeakPolarHBondContact O-CB 2.94Å; D37-S62 PolarHBondContact O-OG 2.88Å |
| 38 | W | 94.8 | Very high | 91.9 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 13% | 0.129 | 21% | 0.209 | C | C | . | . | trans | 50.9 | 66 | 178.5 | -48.2 | -72.3 | 0 | 0 | 0 | 113.2 | N32 I35 V36 V40 S63 T64 R82 F85 D86 F124 | N32-W38 WeakPolarHBondContact O-CA 3.28Å; I35-W38 WeakPolarHBondContact O-CA 3.45Å; I35-W38 PolarHBondContact O-N 3.14Å; V36-W38 PolarHBondContact O-N 2.73Å; V36-W38 VanDerWaalsContact O-N 3.1Å; W38-V40 PolarHBondContact O-N 3.4Å; W38-S63 VanDerWaalsContact CB-OG 3.25Å; W38-S63 WeakPolarHBondContact CB-OG 3.47Å; W38-S63 WeakPolarHBondContact O-CB 3.28Å; W38-S63 PolarHBondContact O-N 3.2Å; W38-S63 PolarHBondContact O-OG 3.01Å; W38-S63 VanDerWaalsContact O-OG 3.09Å; W38-T64 HydrophobicContact CE3-CG2 3.97Å; W38-T64 HydrophobicContact CZ3-CG2 4.07Å; W38-R82 HydrophobicContact CH2-CG 4.15Å; W38-R82 HydrophobicContact CZ3-CG 4.14Å; W38-F85 HydrophobicContact CB-CD1 4.42Å; W38-F85 HydrophobicContact CD2-CB 3.75Å; W38-F85 HydrophobicContact CD2-CD1 4.11Å; W38-F85 HydrophobicContact CD2-CG 4.06Å; W38-F85 HydrophobicContact CE3-CB 3.85Å; W38-F85 HydrophobicContact CE3-CD1 4.44Å; W38-F85 HydrophobicContact CE3-CD2 4.49Å; W38-F85 HydrophobicContact CE3-CG 4.05Å; W38-F85 HydrophobicContact CG-CB 4.5Å; W38-F85 HydrophobicContact CG-CD1 4.09Å; W38-F85 HydrophobicContact CH2-CB 3.65Å; W38-F85 HydrophobicContact CZ2-CB 3.55Å; W38-F85 HydrophobicContact CZ3-CB 3.8Å; W38-F85 HydrophobicContact CZ3-CG 4.36Å; W38-D86 VanDerWaalsContact CH2-OD1 3.28Å; W38-D86 WeakPolarHBondContact CH2-OD1 3.32Å; W38-D86 WeakPolarHBondContact CZ2-OD1 3.44Å; W38-F124 AromaticContact CD1-CE2 3.99Å | ||
| 39 | P | 96.1 | Very high | 91.8 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -64.5 | 136.8 | -173.1 | 25.9 | -34.7 | 0 | 0 | 0 | 112.3 | G31 N32 I35 V36 V41 K61 | G31-P39 WeakPolarHBondContact CA-O 3.37Å; N32-P39 HydrophobicContact CB-CG 4.3Å; N32-P39 PolarHBondContact N-O 2.95Å; I35-P39 HydrophobicContact CB-CG 3.9Å; I35-P39 HydrophobicContact CD1-CG 4.31Å; I35-P39 HydrophobicContact CG2-CG 3.75Å; V36-P39 WeakPolarHBondContact O-CD 3.39Å; P39-V41 PolarHBondContact O-N 3.2Å; P39-K61 CarbonylContact C-O 3.6Å; P39-K61 WeakPolarHBondContact CA-O 3.39Å |
| 40 | V | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 115.5 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | L29 L30 W38 Y42 V58 M59 Q60 K61 | L29-V40 HydrophobicContact CB-CG1 4.07Å; L29-V40 HydrophobicContact CD1-CG1 4.49Å; L29-V40 HydrophobicContact CD1-CG2 3.96Å; L29-V40 HydrophobicContact CD2-CG2 4.1Å; L29-V40 HydrophobicContact CG-CG2 4.48Å; L30-V40 CarbonylContact O-C 3.51Å; L30-V40 WeakPolarHBondContact O-CA 3.24Å; W38-V40 PolarHBondContact O-N 3.4Å; V40-Y42 VanDerWaalsContact CG1-O 3.26Å; V40-Y42 WeakPolarHBondContact CG1-O 3.46Å; V40-V58 HydrophobicContact CG1-CG1 4.14Å; V40-M59 WeakPolarHBondContact O-CA 3.35Å; V40-Q60 PolarHBondContact O-N 3.08Å; V40-K61 WeakPolarHBondContact CG2-O 3.4Å; V40-K61 PolarHBondContact N-O 3.07Å |
| 41 | V | 94 | Very high | 91.5 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 36% | 0.358 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -23.9 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | L30 N32 P39 L123 | L30-V41 HydrophobicContact CB-CG2 4Å; L30-V41 WeakPolarHBondContact O-CG2 3.44Å; L30-V41 PolarHBondContact O-N 2.99Å; N32-V41 HydrophobicContact CB-CG1 4.15Å; P39-V41 PolarHBondContact O-N 3.2Å; V41-L123 HydrophobicContact CG2-CD2 3.89Å |
| 42 | Y | 92.8 | Very high | 91.2 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 148.3 | 177.3 | 178.1 | -90.3 | 0 | 0 | 0 | 111.7 | L16 F28 L29 L30 V40 N44 | L16-Y42 HydrophobicContact CD1-CD1 3.9Å; L16-Y42 HydrophobicContact CD1-CE1 3.73Å; L16-Y42 HydrophobicContact CD1-CE2 4.38Å; L16-Y42 HydrophobicContact CD1-CG 4.33Å; L16-Y42 HydrophobicContact CD2-CD2 4.2Å; L16-Y42 HydrophobicContact CD2-CE2 3.89Å; F28-Y42 AromaticContact CE2-CD1 3.92Å; F28-Y42 HydrophobicContact CE2-CD1 3.92Å; F28-Y42 AromaticContact CE2-CE1 3.71Å; F28-Y42 HydrophobicContact CE2-CE1 3.71Å; F28-Y42 AromaticContact CZ-CE1 3.9Å; F28-Y42 HydrophobicContact CZ-CE1 3.9Å; L29-Y42 CarbonylContact C-O 3.58Å; L29-Y42 VanDerWaalsContact CA-O 3.26Å; L29-Y42 WeakPolarHBondContact CA-O 3.37Å; L29-Y42 WeakPolarHBondContact CB-O 3.38Å; L30-Y42 HydrophobicContact CD1-CD1 4.21Å; L30-Y42 HydrophobicContact CD1-CG 4.46Å; L30-Y42 PolarHBondContact N-O 3.47Å; L30-Y42 PolarHBondContact O-N 3.27Å; V40-Y42 VanDerWaalsContact CG1-O 3.26Å; V40-Y42 WeakPolarHBondContact CG1-O 3.46Å; Y42-N44 HydrophobicContact CE1-CB 3.97Å |
| 43 | S | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.6 | 166.2 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | R55 | S43-R55 VanDerWaalsContact O-CZ 3.26Å; S43-R55 PolarHBondContact O-NE 3.19Å; S43-R55 PolarHBondContact O-NH2 3.27Å |
| 44 | N | 90.1 | Very high | 91.1 | Very high | 16 Ų | 16 | 56 Ų | 56 | 9% | 0.086 | 30% | 0.297 | C | S | . | . | trans | -83 | 164.7 | 177.8 | 87.1 | -24.3 | 0 | 0 | 0 | 112 | S26 S27 F28 Y42 G46 F47 C48 R55 | S26-N44 PolarHBondContact O-ND2 3.02Å; S27-N44 WeakPolarHBondContact CA-OD1 3.44Å; F28-N44 HydrophobicContact CD1-CB 3.91Å; F28-N44 VanDerWaalsContact CD1-ND2 3.33Å; F28-N44 WeakPolarHBondContact CD1-ND2 3.17Å; F28-N44 HydrophobicContact CE1-CB 3.64Å; F28-N44 WeakPolarHBondContact CE1-ND2 3.44Å; F28-N44 HydrophobicContact CE2-CB 4.39Å; F28-N44 HydrophobicContact CG-CB 4.39Å; F28-N44 HydrophobicContact CZ-CB 3.89Å; F28-N44 PolarHBondContact N-OD1 2.93Å; F28-N44 PolarHBondContact O-N 3.1Å; F28-N44 PolarHBondContact O-OD1 2.98Å; Y42-N44 HydrophobicContact CE1-CB 3.97Å; N44-G46 PolarHBondContact O-N 3.22Å; N44-G46 PolarHBondContact OD1-N 3.29Å; N44-F47 PolarHBondContact O-N 3.13Å; N44-F47 VanDerWaalsContact O-N 3.15Å; N44-F47 PolarHBondContact OD1-N 2.83Å; N44-C48 PolarHBondContact O-N 2.95Å; N44-C48 VanDerWaalsContact O-N 3.16Å; N44-C48 PolarHBondContact O-SG 3.36Å; N44-C48 VanDerWaalsContact O-SG 3.36Å; N44-R55 VanDerWaalsContact C-NH2 3.29Å | ||
| 45 | D | 88.6 | Confident | 91.2 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -25.3 | -179.9 | -83.8 | 9.2 | 0 | 0 | 0 | 112.7 | K49 R55 | D45-K49 WeakPolarHBondContact O-CB 3.44Å; D45-K49 WeakPolarHBondContact O-CD 3.33Å; D45-K49 WeakPolarHBondContact O-CG 3.24Å; D45-K49 PolarHBondContact O-N 2.69Å; D45-R55 IonicContact OD1-CZ 3.14Å; D45-R55 VanDerWaalsContact OD1-CZ 3.25Å; D45-R55 IonicContact OD1-NH1 2.83Å; D45-R55 PolarHBondContact OD1-NH1 3.36Å; D45-R55 IonicContact OD1-NH2 3.2Å; D45-R55 PolarHBondContact OD1-NH2 2.82Å |
| 46 | G | 87.2 | Confident | 91.2 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -53.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S27 N44 C48 K49 L50 | S27-G46 PolarHBondContact OG-O 2.96Å; N44-G46 PolarHBondContact O-N 3.22Å; N44-G46 PolarHBondContact OD1-N 3.29Å; G46-C48 VanDerWaalsContact C-N 3.33Å; G46-C48 PolarHBondContact O-N 3.2Å; G46-K49 PolarHBondContact O-N 3.46Å; G46-L50 WeakPolarHBondContact O-CB 3.09Å; G46-L50 PolarHBondContact O-N 2.68Å |
| 47 | F | 89.5 | Confident | 91.3 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 178.9 | -173.5 | -89.4 | 0 | 0 | 0 | 112.7 | S27 L29 N44 L50 S51 V58 F67 M68 F128 | S27-F47 PolarHBondContact OG-N 3.46Å; L29-F47 HydrophobicContact CD2-CE2 4.1Å; L29-F47 HydrophobicContact CD2-CZ 4.05Å; N44-F47 PolarHBondContact O-N 3.13Å; N44-F47 VanDerWaalsContact O-N 3.15Å; N44-F47 PolarHBondContact OD1-N 2.83Å; F47-L50 PolarHBondContact O-N 3.23Å; F47-S51 VanDerWaalsContact O-CB 3.28Å; F47-S51 WeakPolarHBondContact O-CB 3.3Å; F47-S51 PolarHBondContact O-N 2.61Å; F47-S51 PolarHBondContact O-OG 3.38Å; F47-V58 HydrophobicContact CD1-CG1 4.26Å; F47-V58 HydrophobicContact CD1-CG2 4.5Å; F47-V58 HydrophobicContact CE1-CG1 3.77Å; F47-V58 HydrophobicContact CE1-CG2 4.05Å; F47-F67 HydrophobicContact CE1-CZ 4.48Å; F47-M68 HydrophobicContact CZ-SD 3.97Å; F47-F128 AromaticContact CD2-CD2 3.65Å; F47-F128 HydrophobicContact CD2-CD2 3.65Å; F47-F128 HydrophobicContact CD2-CE2 4.02Å; F47-F128 HydrophobicContact CD2-CG 4.12Å; F47-F128 HydrophobicContact CE2-CD1 4.3Å; F47-F128 AromaticContact CE2-CD2 3.67Å; F47-F128 HydrophobicContact CE2-CD2 3.67Å; F47-F128 HydrophobicContact CE2-CE1 4.3Å; F47-F128 AromaticContact CE2-CE2 3.69Å; F47-F128 HydrophobicContact CE2-CE2 3.69Å; F47-F128 AromaticContact CE2-CG 4Å; F47-F128 HydrophobicContact CE2-CG 4Å; F47-F128 HydrophobicContact CE2-CZ 4.01Å |
| 48 | C | 90.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 175.6 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | N44 G46 L50 G52 Y53 | N44-C48 PolarHBondContact O-N 2.95Å; N44-C48 VanDerWaalsContact O-N 3.16Å; N44-C48 PolarHBondContact O-SG 3.36Å; N44-C48 VanDerWaalsContact O-SG 3.36Å; G46-C48 VanDerWaalsContact C-N 3.33Å; G46-C48 PolarHBondContact O-N 3.2Å; C48-L50 VanDerWaalsContact C-N 3.34Å; C48-L50 PolarHBondContact O-N 3.31Å; C48-G52 WeakPolarHBondContact O-CA 3.49Å; C48-G52 PolarHBondContact O-N 3.04Å; C48-Y53 WeakPolarHBondContact CA-O 3.3Å; C48-Y53 WeakPolarHBondContact CB-O 3.09Å |
| 49 | K | 89.4 | Confident | 91.4 | Very high | 167 Ų | 167 | 45.5 Ų | 45.5 | 73% | 0.726 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -64.4 | -36.9 | 175.9 | -69.7 | 163.8 | -172.4 | 168.4 | 0 | 112.4 | D45 G46 | D45-K49 WeakPolarHBondContact O-CB 3.44Å; D45-K49 WeakPolarHBondContact O-CD 3.33Å; D45-K49 WeakPolarHBondContact O-CG 3.24Å; D45-K49 PolarHBondContact O-N 2.69Å; G46-K49 PolarHBondContact O-N 3.46Å |
| 50 | L | 87.4 | Confident | 91.2 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.5 | -44.2 | -176.4 | -179.5 | 61.2 | 0 | 0 | 0 | 112.6 | S27 G46 F47 C48 K99 F107 F128 D130 | S27-L50 WeakPolarHBondContact OG-CD2 3.41Å; G46-L50 WeakPolarHBondContact O-CB 3.09Å; G46-L50 PolarHBondContact O-N 2.68Å; F47-L50 PolarHBondContact O-N 3.23Å; C48-L50 VanDerWaalsContact C-N 3.34Å; C48-L50 PolarHBondContact O-N 3.31Å; L50-K99 WeakPolarHBondContact O-CD 3.32Å; L50-K99 WeakPolarHBondContact O-CE 3.49Å; L50-F107 HydrophobicContact CD1-CE1 3.96Å; L50-F107 HydrophobicContact CD2-CD1 4.2Å; L50-F107 HydrophobicContact CD2-CE1 3.72Å; L50-F107 HydrophobicContact CG-CE1 3.69Å; L50-F107 HydrophobicContact CG-CZ 4.42Å; L50-F128 HydrophobicContact CD2-CB 4.17Å; L50-D130 HydrophobicContact CD1-CB 4.16Å |
| 51 | S | 89.3 | Confident | 91.1 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -81.9 | -24 | -179.6 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | F47 Y53 K99 K100 | F47-S51 VanDerWaalsContact O-CB 3.28Å; F47-S51 WeakPolarHBondContact O-CB 3.3Å; F47-S51 PolarHBondContact O-N 2.61Å; F47-S51 PolarHBondContact O-OG 3.38Å; S51-Y53 VanDerWaalsContact C-N 3.27Å; S51-Y53 WeakPolarHBondContact O-CD2 3.44Å; S51-Y53 PolarHBondContact OG-N 2.74Å; S51-K99 WeakPolarHBondContact O-CA 3.4Å; S51-K99 WeakPolarHBondContact O-CB 3.45Å; S51-K100 PolarHBondContact O-N 2.83Å |
| 52 | G | 88.8 | Confident | 91.1 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 45% | 0.454 | 28% | 0.283 | S | S | . | . | trans | 79 | 4.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C48 K100 | C48-G52 WeakPolarHBondContact O-CA 3.49Å; C48-G52 PolarHBondContact O-N 3.04Å; G52-K100 WeakPolarHBondContact O-CD 3.33Å | ||
| 53 | Y | 92.6 | Very high | 91.1 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | trans | -92 | 148.6 | 175.7 | -71.3 | -94.2 | 0 | 0 | 0 | 111.7 | C48 S51 D57 V58 F67 M68 K100 | C48-Y53 WeakPolarHBondContact CA-O 3.3Å; C48-Y53 WeakPolarHBondContact CB-O 3.09Å; S51-Y53 VanDerWaalsContact C-N 3.27Å; S51-Y53 WeakPolarHBondContact O-CD2 3.44Å; S51-Y53 PolarHBondContact OG-N 2.74Å; Y53-D57 HydrophobicContact CD1-CB 3.82Å; Y53-D57 HydrophobicContact CG-CB 4.49Å; Y53-V58 HydrophobicContact CG-CG2 4.39Å; Y53-F67 HydrophobicContact CD1-CD2 4.46Å; Y53-F67 HydrophobicContact CD1-CE2 4.35Å; Y53-F67 HydrophobicContact CD2-CD2 4.5Å; Y53-F67 AromaticContact CD2-CE2 3.96Å; Y53-F67 HydrophobicContact CD2-CE2 3.96Å; Y53-F67 HydrophobicContact CE1-CD2 4.1Å; Y53-F67 HydrophobicContact CE1-CE2 4.38Å; Y53-F67 HydrophobicContact CE2-CD2 4.15Å; Y53-F67 HydrophobicContact CE2-CE2 4Å; Y53-F67 HydrophobicContact CG-CE2 4.14Å; Y53-F67 AromaticContact CZ-CD2 3.93Å; Y53-M68 HydrophobicContact CE2-CG 4.32Å; Y53-K100 HydrophobicContact CD1-CB 4.26Å; Y53-K100 HydrophobicContact CD1-CD 3.73Å; Y53-K100 HydrophobicContact CD1-CG 4.01Å; Y53-K100 HydrophobicContact CD2-CB 3.77Å; Y53-K100 HydrophobicContact CD2-CG 4.42Å; Y53-K100 HydrophobicContact CE1-CB 4.12Å; Y53-K100 HydrophobicContact CE1-CD 4.02Å; Y53-K100 HydrophobicContact CE1-CG 3.8Å; Y53-K100 HydrophobicContact CE2-CB 3.6Å; Y53-K100 HydrophobicContact CE2-CG 4.23Å; Y53-K100 HydrophobicContact CG-CB 4.1Å; Y53-K100 HydrophobicContact CG-CD 4.04Å; Y53-K100 HydrophobicContact CG-CG 4.32Å | ||
| 54 | H | 92.9 | Very high | 91.1 | Very high | 127 Ų | 127 | 52 Ų | 52 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | trans | -77.4 | 151.7 | 170.1 | -169.4 | -114.1 | 0 | 0 | 0 | 109.7 | A56 D57 V58 | H54-A56 PolarHBondContact O-N 3.26Å; H54-A56 VanDerWaalsContact O-N 3.11Å; H54-D57 PolarHBondContact N-OD2 2.82Å; H54-D57 WeakPolarHBondContact O-CA 3.32Å; H54-D57 WeakPolarHBondContact O-CB 3.45Å; H54-D57 PolarHBondContact O-N 2.84Å; H54-V58 PolarHBondContact O-N 2.82Å | ||
| 55 | R | 92.6 | Very high | 91.2 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 25% | 0.253 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -50.7 | -40.4 | -179.8 | 178.1 | 169.4 | -73.7 | 107.3 | 4.3 | 112.8 | S43 N44 D45 D57 V58 M59 | S43-R55 VanDerWaalsContact O-CZ 3.26Å; S43-R55 PolarHBondContact O-NE 3.19Å; S43-R55 PolarHBondContact O-NH2 3.27Å; N44-R55 VanDerWaalsContact C-NH2 3.29Å; D45-R55 IonicContact OD1-CZ 3.14Å; D45-R55 VanDerWaalsContact OD1-CZ 3.25Å; D45-R55 IonicContact OD1-NH1 2.83Å; D45-R55 PolarHBondContact OD1-NH1 3.36Å; D45-R55 IonicContact OD1-NH2 3.2Å; D45-R55 PolarHBondContact OD1-NH2 2.82Å; R55-D57 VanDerWaalsContact C-N 3.33Å; R55-D57 PolarHBondContact O-N 3.07Å; R55-V58 PolarHBondContact O-N 3.09Å; R55-M59 HydrophobicContact CG-CG 4.35Å; R55-M59 HydrophobicContact CG-SD 3.86Å; R55-M59 WeakPolarHBondContact O-CG 3.47Å; R55-M59 PolarHBondContact O-N 3.19Å |
| 56 | A | 92 | Very high | 91.3 | Very high | 72 Ų | 72 | 50 Ų | 50 | 60% | 0.595 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68.4 | -23.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H54 | H54-A56 PolarHBondContact O-N 3.26Å; H54-A56 VanDerWaalsContact O-N 3.11Å |
| 57 | D | 92.6 | Very high | 91.5 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -76.2 | -28.6 | 174 | -50.6 | -31 | 0 | 0 | 0 | 111.7 | Y53 H54 R55 K61 K100 | Y53-D57 HydrophobicContact CD1-CB 3.82Å; Y53-D57 HydrophobicContact CG-CB 4.49Å; H54-D57 PolarHBondContact N-OD2 2.82Å; H54-D57 WeakPolarHBondContact O-CA 3.32Å; H54-D57 WeakPolarHBondContact O-CB 3.45Å; H54-D57 PolarHBondContact O-N 2.84Å; R55-D57 VanDerWaalsContact C-N 3.33Å; R55-D57 PolarHBondContact O-N 3.07Å; D57-K61 VanDerWaalsContact O-CE 3.29Å; D57-K61 WeakPolarHBondContact O-CE 3.07Å; D57-K61 WeakPolarHBondContact O-CG 3.45Å; D57-K100 IonicContact OD1-NZ 2.65Å; D57-K100 IonicContact OD2-NZ 3.73Å; D57-K100 PolarHBondContact OD2-NZ 3.46Å |
| 58 | V | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -91.4 | -36.4 | -171.9 | 178.4 | 0 | 0 | 0 | 0 | 112 | V40 F47 Y53 H54 R55 K61 F67 | V40-V58 HydrophobicContact CG1-CG1 4.14Å; F47-V58 HydrophobicContact CD1-CG1 4.26Å; F47-V58 HydrophobicContact CD1-CG2 4.5Å; F47-V58 HydrophobicContact CE1-CG1 3.77Å; F47-V58 HydrophobicContact CE1-CG2 4.05Å; Y53-V58 HydrophobicContact CG-CG2 4.39Å; H54-V58 PolarHBondContact O-N 2.82Å; R55-V58 PolarHBondContact O-N 3.09Å; V58-K61 WeakPolarHBondContact O-CB 3.34Å; V58-K61 WeakPolarHBondContact O-CG 3.49Å; V58-K61 PolarHBondContact O-N 3.25Å; V58-F67 HydrophobicContact CG1-CZ 4.1Å; V58-F67 HydrophobicContact CG2-CE2 4.37Å; V58-F67 HydrophobicContact CG2-CZ 4.21Å |
| 59 | M | 92.4 | Very high | 91.7 | Very high | 74 Ų | 74 | 52.4 Ų | 52.4 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 145.9 | 176 | -72.2 | 173.1 | 72.3 | 0 | 0 | 111.1 | V40 R55 K61 | V40-M59 WeakPolarHBondContact O-CA 3.35Å; R55-M59 HydrophobicContact CG-CG 4.35Å; R55-M59 HydrophobicContact CG-SD 3.86Å; R55-M59 WeakPolarHBondContact O-CG 3.47Å; R55-M59 PolarHBondContact O-N 3.19Å; M59-K61 PolarHBondContact O-N 3.02Å; M59-K61 VanDerWaalsContact O-N 3.14Å |
| 60 | Q | 91.3 | Very high | 91.7 | Very high | 142 Ų | 142 | 45.8 Ų | 45.8 | 66% | 0.664 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 14 | -174.4 | -49.5 | -64 | -5.1 | 0 | 0 | 115.3 | V40 | V40-Q60 PolarHBondContact O-N 3.08Š|
| 61 | K | 93.9 | Very high | 91.7 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -90.4 | 163.1 | 160.8 | -53.8 | -53.5 | 179.5 | -167.6 | 0 | 109.8 | P39 V40 D57 V58 M59 F67 | P39-K61 CarbonylContact C-O 3.6Å; P39-K61 WeakPolarHBondContact CA-O 3.39Å; V40-K61 WeakPolarHBondContact CG2-O 3.4Å; V40-K61 PolarHBondContact N-O 3.07Å; D57-K61 VanDerWaalsContact O-CE 3.29Å; D57-K61 WeakPolarHBondContact O-CE 3.07Å; D57-K61 WeakPolarHBondContact O-CG 3.45Å; V58-K61 WeakPolarHBondContact O-CB 3.34Å; V58-K61 WeakPolarHBondContact O-CG 3.49Å; V58-K61 PolarHBondContact O-N 3.25Å; M59-K61 PolarHBondContact O-N 3.02Å; M59-K61 VanDerWaalsContact O-N 3.14Å; K61-F67 HydrophobicContact CB-CD1 3.5Å; K61-F67 VanDerWaalsContact CB-CD1 3.5Å; K61-F67 HydrophobicContact CB-CE1 3.76Å; K61-F67 HydrophobicContact CB-CG 4.32Å; K61-F67 HydrophobicContact CG-CD1 3.85Å; K61-F67 HydrophobicContact CG-CE1 4.22Å; K61-F67 HydrophobicContact CG-CG 4.19Å |
| 62 | S | 94.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 59 Ų | 59 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 138.7 | 175 | -177.6 | 0 | 0 | 0 | 0 | 112 | D37 T64 C65 | D37-S62 VanDerWaalsContact O-CA 3.3Å; D37-S62 WeakPolarHBondContact O-CA 3.35Å; D37-S62 WeakPolarHBondContact O-CB 2.94Å; D37-S62 PolarHBondContact O-OG 2.88Å; S62-T64 WeakPolarHBondContact CB-OG1 3.41Å; S62-T64 PolarHBondContact O-N 2.87Å; S62-T64 WeakPolarHBondContact OG-CG2 3.41Å; S62-T64 PolarHBondContact OG-N 2.84Å; S62-T64 PolarHBondContact OG-OG1 3.21Å; S62-C65 PolarHBondContact O-N 3.15Å |
| 63 | S | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -11.5 | 172.8 | 56 | 0 | 0 | 0 | 0 | 114 | W38 C65 F85 M109 | W38-S63 VanDerWaalsContact CB-OG 3.25Å; W38-S63 WeakPolarHBondContact CB-OG 3.47Å; W38-S63 WeakPolarHBondContact O-CB 3.28Å; W38-S63 PolarHBondContact O-N 3.2Å; W38-S63 PolarHBondContact O-OG 3.01Å; W38-S63 VanDerWaalsContact O-OG 3.09Å; S63-C65 PolarHBondContact O-N 3.28Å; S63-F85 WeakPolarHBondContact OG-CE1 3.45Å; S63-F85 VanDerWaalsContact OG-CZ 3.3Å; S63-F85 WeakPolarHBondContact OG-CZ 3.25Å; S63-M109 WeakPolarHBondContact O-CE 3.13Å |
| 64 | T | 91.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.8 | 166.4 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | W38 S62 S66 Y69 V81 F85 | W38-T64 HydrophobicContact CE3-CG2 3.97Å; W38-T64 HydrophobicContact CZ3-CG2 4.07Å; S62-T64 WeakPolarHBondContact CB-OG1 3.41Å; S62-T64 PolarHBondContact O-N 2.87Å; S62-T64 WeakPolarHBondContact OG-CG2 3.41Å; S62-T64 PolarHBondContact OG-N 2.84Å; S62-T64 PolarHBondContact OG-OG1 3.21Å; T64-S66 VanDerWaalsContact C-N 3.33Å; T64-S66 PolarHBondContact O-N 2.78Å; T64-Y69 WeakPolarHBondContact CB-OH 3.5Å; T64-Y69 WeakPolarHBondContact O-CE1 3.28Å; T64-Y69 PolarHBondContact O-OH 2.9Å; T64-V81 HydrophobicContact CG2-CG1 4.4Å; T64-F85 HydrophobicContact CG2-CD2 3.78Å; T64-F85 HydrophobicContact CG2-CE2 3.76Å |
| 65 | C | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | 59.9 | 34.2 | -175.1 | -66.5 | 0 | 0 | 0 | 0 | 114.4 | S62 S63 F67 M68 L97 | S62-C65 PolarHBondContact O-N 3.15Å; S63-C65 PolarHBondContact O-N 3.28Å; C65-F67 HydrophobicContact CB-CE1 4.44Å; C65-F67 PolarHBondContact O-N 2.89Å; C65-F67 VanDerWaalsContact O-N 3.09Å; C65-M68 HydrophobicContact CB-CB 4.43Å; C65-M68 HydrophobicContact CB-CG 4.43Å; C65-M68 HydrophobicContact CB-SD 4.23Å; C65-M68 WeakPolarHBondContact O-CA 3.45Å; C65-M68 WeakPolarHBondContact O-CB 3.43Å; C65-M68 PolarHBondContact O-N 3.14Å; C65-L97 HydrophobicContact CB-CD1 4.14Å | ||
| 66 | S | 89.8 | Confident | 91.3 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -53.3 | -30.8 | 179.9 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | T64 M68 Y69 | T64-S66 VanDerWaalsContact C-N 3.33Å; T64-S66 PolarHBondContact O-N 2.78Å; S66-M68 PolarHBondContact O-N 3.14Å; S66-Y69 WeakPolarHBondContact O-CB 3.44Å; S66-Y69 PolarHBondContact O-N 2.86Å |
| 67 | F | 91.9 | Very high | 91.1 | Very high | 40 Ų | 40 | 63.9 Ų | 63.9 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -68.7 | -11.5 | 174.3 | 68.4 | -82.9 | 0 | 0 | 0 | 114.5 | F47 Y53 V58 K61 C65 | F47-F67 HydrophobicContact CE1-CZ 4.48Å; Y53-F67 HydrophobicContact CD1-CD2 4.46Å; Y53-F67 HydrophobicContact CD1-CE2 4.35Å; Y53-F67 HydrophobicContact CD2-CD2 4.5Å; Y53-F67 AromaticContact CD2-CE2 3.96Å; Y53-F67 HydrophobicContact CD2-CE2 3.96Å; Y53-F67 HydrophobicContact CE1-CD2 4.1Å; Y53-F67 HydrophobicContact CE1-CE2 4.38Å; Y53-F67 HydrophobicContact CE2-CD2 4.15Å; Y53-F67 HydrophobicContact CE2-CE2 4Å; Y53-F67 HydrophobicContact CG-CE2 4.14Å; Y53-F67 AromaticContact CZ-CD2 3.93Å; V58-F67 HydrophobicContact CG1-CZ 4.1Å; V58-F67 HydrophobicContact CG2-CE2 4.37Å; V58-F67 HydrophobicContact CG2-CZ 4.21Å; K61-F67 HydrophobicContact CB-CD1 3.5Å; K61-F67 VanDerWaalsContact CB-CD1 3.5Å; K61-F67 HydrophobicContact CB-CE1 3.76Å; K61-F67 HydrophobicContact CB-CG 4.32Å; K61-F67 HydrophobicContact CG-CD1 3.85Å; K61-F67 HydrophobicContact CG-CE1 4.22Å; K61-F67 HydrophobicContact CG-CG 4.19Å; C65-F67 HydrophobicContact CB-CE1 4.44Å; C65-F67 PolarHBondContact O-N 2.89Å; C65-F67 VanDerWaalsContact O-N 3.09Å |
| 68 | M | 92.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -105.3 | 4.7 | 175.4 | -56 | -178.8 | 61.4 | 0 | 0 | 112.6 | F47 Y53 C65 S66 L97 Y98 F107 | F47-M68 HydrophobicContact CZ-SD 3.97Å; Y53-M68 HydrophobicContact CE2-CG 4.32Å; C65-M68 HydrophobicContact CB-CB 4.43Å; C65-M68 HydrophobicContact CB-CG 4.43Å; C65-M68 HydrophobicContact CB-SD 4.23Å; C65-M68 WeakPolarHBondContact O-CA 3.45Å; C65-M68 WeakPolarHBondContact O-CB 3.43Å; C65-M68 PolarHBondContact O-N 3.14Å; S66-M68 PolarHBondContact O-N 3.14Å; M68-L97 HydrophobicContact CB-CB 3.98Å; M68-L97 HydrophobicContact CB-CD2 4.5Å; M68-L97 HydrophobicContact CE-CB 4.19Å; M68-Y98 WeakPolarHBondContact CB-O 3.35Å; M68-Y98 WeakPolarHBondContact CE-O 3.42Å; M68-Y98 PolarHBondContact O-N 3.04Å; M68-F107 HydrophobicContact CE-CE2 4.07Å; M68-F107 HydrophobicContact CE-CZ 4.3Å |
| 69 | Y | 92.7 | Very high | 91 | Very high | 54 Ų | 54 | 66.5 Ų | 66.5 | 21% | 0.212 | 33% | 0.328 | C | S | . | . | trans | -72.9 | 153.9 | 174.3 | -62.6 | -10.2 | 0 | 0 | 0 | 111.4 | T64 S66 T73 I78 L97 | T64-Y69 WeakPolarHBondContact CB-OH 3.5Å; T64-Y69 WeakPolarHBondContact O-CE1 3.28Å; T64-Y69 PolarHBondContact O-OH 2.9Å; S66-Y69 WeakPolarHBondContact O-CB 3.44Å; S66-Y69 PolarHBondContact O-N 2.86Å; Y69-T73 HydrophobicContact CD1-CG2 4.12Å; Y69-T73 HydrophobicContact CG-CG2 4.47Å; Y69-I78 HydrophobicContact CD1-CD1 4.38Å; Y69-I78 HydrophobicContact CD2-CD1 3.63Å; Y69-I78 HydrophobicContact CD2-CG1 4.22Å; Y69-I78 HydrophobicContact CE1-CD1 4.46Å; Y69-I78 HydrophobicContact CE1-CG1 4.15Å; Y69-I78 HydrophobicContact CE2-CB 4.38Å; Y69-I78 HydrophobicContact CE2-CD1 3.71Å; Y69-I78 HydrophobicContact CE2-CG1 3.8Å; Y69-I78 HydrophobicContact CE2-CG2 3.63Å; Y69-I78 HydrophobicContact CG-CD1 4Å; Y69-L97 HydrophobicContact CD1-CD2 3.57Å; Y69-L97 HydrophobicContact CE1-CD2 3.75Å | ||
| 70 | G | 89.1 | Confident | 91 | Very high | 27 Ų | 27 | 68.9 Ų | 68.9 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | trans | -159.7 | -170.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L72 T73 | G70-L72 VanDerWaalsContact C-N 3.27Å; G70-L72 PolarHBondContact O-N 2.85Å; G70-T73 PolarHBondContact N-OG1 3.35Å; G70-T73 WeakPolarHBondContact O-CB 3.41Å; G70-T73 PolarHBondContact O-N 3.33Å; G70-T73 PolarHBondContact O-OG1 3.25Å | ||
| 71 | E | 86.4 | Confident | 91 | Very high | 195 Ų | 195 | 62.2 Ų | 62.2 | 91% | 0.911 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.3 | -168.5 | -67.1 | 164.3 | -163.1 | 0 | 0 | 114.1 | Y98 | E71-Y98 PolarHBondContact N-OH 2.97Š|
| 72 | L | 86.7 | Confident | 91 | Very high | 114 Ų | 114 | 62 Ų | 62 | 60% | 0.597 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 3.4 | 178.3 | -59.1 | 175.1 | 0 | 0 | 0 | 114 | G70 L96 Y98 | G70-L72 VanDerWaalsContact C-N 3.27Å; G70-L72 PolarHBondContact O-N 2.85Å; L72-L96 HydrophobicContact CB-CD1 4.09Å; L72-L96 HydrophobicContact CB-CD2 3.91Å; L72-Y98 HydrophobicContact CB-CE2 4.49Å; L72-Y98 WeakPolarHBondContact CB-OH 3.42Å; L72-Y98 WeakPolarHBondContact CG-OH 3.26Å; L72-Y98 PolarHBondContact N-OH 3.4Å; L72-Y98 VanDerWaalsContact N-OH 3.08Å |
| 73 | T | 89.4 | Confident | 90.9 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -81.8 | 119.7 | 176 | -54 | 0 | 0 | 0 | 0 | 110.1 | Y69 G70 K75 I78 V95 L96 L97 | Y69-T73 HydrophobicContact CD1-CG2 4.12Å; Y69-T73 HydrophobicContact CG-CG2 4.47Å; G70-T73 PolarHBondContact N-OG1 3.35Å; G70-T73 WeakPolarHBondContact O-CB 3.41Å; G70-T73 PolarHBondContact O-N 3.33Å; G70-T73 PolarHBondContact O-OG1 3.25Å; T73-K75 PolarHBondContact O-N 2.95Å; T73-I78 HydrophobicContact CG2-CD1 3.64Å; T73-I78 HydrophobicContact CG2-CG1 3.83Å; T73-V95 HydrophobicContact CG2-CG2 4.11Å; T73-L96 WeakPolarHBondContact CB-O 2.99Å; T73-L96 VanDerWaalsContact CG2-O 3.28Å; T73-L96 WeakPolarHBondContact CG2-O 3.2Å; T73-L96 PolarHBondContact OG1-O 3.16Å; T73-L97 HydrophobicContact CG2-CD2 4.33Å |
| 74 | D | 90.6 | Very high | 90.9 | Very high | 74 Ų | 74 | 65.6 Ų | 65.6 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | trans | -64.6 | 121.5 | -179.9 | 167.4 | 43.1 | 0 | 0 | 0 | 112.8 | K76 T77 I78 | D74-K76 VanDerWaalsContact C-N 3.3Å; D74-K76 PolarHBondContact O-N 3.16Å; D74-K76 PolarHBondContact OD1-N 3.46Å; D74-K76 WeakPolarHBondContact OD2-CB 3.43Å; D74-T77 PolarHBondContact O-N 3.45Å; D74-T77 VanDerWaalsContact OD2-CB 3.3Å; D74-T77 WeakPolarHBondContact OD2-CB 3.39Å; D74-T77 PolarHBondContact OD2-N 3.5Å; D74-T77 PolarHBondContact OD2-OG1 2.98Å; D74-I78 PolarHBondContact O-N 3.49Å | ||
| 75 | K | 90.3 | Very high | 90.9 | Very high | 174 Ų | 174 | 65 Ų | 65 | 76% | 0.757 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.4 | -30.6 | 178.1 | -63 | -177.3 | -179.9 | -179.7 | 0 | 113.1 | T73 E79 | T73-K75 PolarHBondContact O-N 2.95Å; K75-E79 PolarHBondContact O-N 2.94Å; K75-E79 VanDerWaalsContact O-N 3.12Å |
| 76 | K | 91.4 | Very high | 90.9 | Very high | 165 Ų | 165 | 68.1 Ų | 68.1 | 72% | 0.717 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70.2 | -36.1 | 177.1 | -61.6 | 178.6 | 179.7 | 178.3 | 0 | 111.3 | D74 K80 | D74-K76 VanDerWaalsContact C-N 3.3Å; D74-K76 PolarHBondContact O-N 3.16Å; D74-K76 PolarHBondContact OD1-N 3.46Å; D74-K76 WeakPolarHBondContact OD2-CB 3.43Å; K76-K80 WeakPolarHBondContact O-CG 3Å; K76-K80 PolarHBondContact O-N 2.96Å; K76-K80 VanDerWaalsContact O-N 3.16Å |
| 77 | T | 88.6 | Confident | 91 | Very high | 30 Ų | 30 | 70 Ų | 70 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71 | -40.6 | 175 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | D74 E79 K80 V81 V95 | D74-T77 PolarHBondContact O-N 3.45Å; D74-T77 VanDerWaalsContact OD2-CB 3.3Å; D74-T77 WeakPolarHBondContact OD2-CB 3.39Å; D74-T77 PolarHBondContact OD2-N 3.5Å; D74-T77 PolarHBondContact OD2-OG1 2.98Å; T77-E79 VanDerWaalsContact C-N 3.33Å; T77-E79 PolarHBondContact O-N 3.29Å; T77-K80 PolarHBondContact O-N 2.8Å; T77-V81 WeakPolarHBondContact O-CG2 3.39Å; T77-V81 PolarHBondContact O-N 2.98Å; T77-V95 HydrophobicContact CG2-CB 4.06Å; T77-V95 HydrophobicContact CG2-CG2 4.17Å |
| 78 | I | 91.3 | Very high | 91 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.2 | -48.6 | 171.7 | -68.6 | 167.3 | 0 | 0 | 0 | 110.8 | Y69 T73 D74 K80 V81 R82 | Y69-I78 HydrophobicContact CD1-CD1 4.38Å; Y69-I78 HydrophobicContact CD2-CD1 3.63Å; Y69-I78 HydrophobicContact CD2-CG1 4.22Å; Y69-I78 HydrophobicContact CE1-CD1 4.46Å; Y69-I78 HydrophobicContact CE1-CG1 4.15Å; Y69-I78 HydrophobicContact CE2-CB 4.38Å; Y69-I78 HydrophobicContact CE2-CD1 3.71Å; Y69-I78 HydrophobicContact CE2-CG1 3.8Å; Y69-I78 HydrophobicContact CE2-CG2 3.63Å; Y69-I78 HydrophobicContact CG-CD1 4Å; T73-I78 HydrophobicContact CG2-CD1 3.64Å; T73-I78 HydrophobicContact CG2-CG1 3.83Å; D74-I78 PolarHBondContact O-N 3.49Å; I78-K80 PolarHBondContact O-N 2.82Å; I78-V81 WeakPolarHBondContact O-CB 3.31Å; I78-V81 PolarHBondContact O-N 3.06Å; I78-R82 PolarHBondContact O-N 3.32Å |
| 79 | E | 92.2 | Very high | 90.7 | Very high | 69 Ų | 69 | 77 Ų | 77 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | -177.7 | 179 | 54.6 | -160.1 | 0 | 0 | 112.6 | K75 T77 R82 Q83 | K75-E79 PolarHBondContact O-N 2.94Å; K75-E79 VanDerWaalsContact O-N 3.12Å; T77-E79 VanDerWaalsContact C-N 3.33Å; T77-E79 PolarHBondContact O-N 3.29Å; E79-R82 WeakPolarHBondContact O-CB 3.35Å; E79-R82 PolarHBondContact O-N 2.81Å; E79-R82 IonicContact OE1-CZ 2.84Å; E79-R82 IonicContact OE1-NE 3.13Å; E79-R82 IonicContact OE1-NH2 2.74Å; E79-R82 PolarHBondContact OE1-NH2 3.49Å; E79-R82 IonicContact OE2-CZ 3.58Å; E79-R82 IonicContact OE2-NE 3.59Å; E79-R82 PolarHBondContact OE2-NE 2.85Å; E79-R82 IonicContact OE2-NH2 3.51Å; E79-Q83 VanDerWaalsContact O-CG 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.34Å; E79-Q83 PolarHBondContact O-N 3.09Å; E79-Q83 PolarHBondContact OE1-NE2 3.01Å |
| 80 | K | 92.2 | Very high | 90.5 | Very high | 124 Ų | 124 | 77.7 Ų | 77.7 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 172.9 | -72.4 | -179.5 | 176 | -169.7 | 0 | 113.5 | K76 T77 I78 T84 F93 | K76-K80 WeakPolarHBondContact O-CG 3Å; K76-K80 PolarHBondContact O-N 2.96Å; K76-K80 VanDerWaalsContact O-N 3.16Å; T77-K80 PolarHBondContact O-N 2.8Å; I78-K80 PolarHBondContact O-N 2.82Å; K80-T84 PolarHBondContact O-N 2.92Å; K80-T84 PolarHBondContact O-OG1 2.78Å; K80-F93 HydrophobicContact CB-CD1 4.48Å; K80-F93 HydrophobicContact CB-CE1 3.68Å; K80-F93 HydrophobicContact CB-CZ 4.19Å |
| 81 | V | 91.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 79.1 Ų | 79.1 | 2% | 0.018 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 171.8 | 164.8 | 0 | 0 | 0 | 0 | 109.2 | T64 T77 I78 Q83 T84 F85 F93 M109 I111 | T64-V81 HydrophobicContact CG2-CG1 4.4Å; T77-V81 WeakPolarHBondContact O-CG2 3.39Å; T77-V81 PolarHBondContact O-N 2.98Å; I78-V81 WeakPolarHBondContact O-CB 3.31Å; I78-V81 PolarHBondContact O-N 3.06Å; V81-Q83 PolarHBondContact O-N 3.1Å; V81-T84 WeakPolarHBondContact O-CB 3.49Å; V81-T84 PolarHBondContact O-N 3.25Å; V81-T84 VanDerWaalsContact O-N 3.14Å; V81-F85 HydrophobicContact CG1-CD2 4.03Å; V81-F85 HydrophobicContact CG1-CE2 3.76Å; V81-F85 VanDerWaalsContact O-CD2 3.28Å; V81-F85 WeakPolarHBondContact O-CD2 3.46Å; V81-F85 PolarHBondContact O-N 2.83Å; V81-F93 HydrophobicContact CG2-CB 4.02Å; V81-F93 HydrophobicContact CG2-CD1 4.12Å; V81-F93 HydrophobicContact CG2-CD2 3.56Å; V81-F93 HydrophobicContact CG2-CE2 4.06Å; V81-F93 HydrophobicContact CG2-CG 3.6Å; V81-M109 HydrophobicContact CG1-CE 4.32Å; V81-I111 HydrophobicContact CG1-CD1 4.1Å |
| 82 | R | 92.9 | Very high | 90.4 | Very high | 93 Ų | 93 | 72.4 Ų | 72.4 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.1 | -48.4 | 177.4 | -159.4 | -171.8 | 67.3 | 63.8 | 13.9 | 112 | W38 I78 E79 T84 F85 D86 | W38-R82 HydrophobicContact CH2-CG 4.15Å; W38-R82 HydrophobicContact CZ3-CG 4.14Å; I78-R82 PolarHBondContact O-N 3.32Å; E79-R82 WeakPolarHBondContact O-CB 3.35Å; E79-R82 PolarHBondContact O-N 2.81Å; E79-R82 IonicContact OE1-CZ 2.84Å; E79-R82 IonicContact OE1-NE 3.13Å; E79-R82 IonicContact OE1-NH2 2.74Å; E79-R82 PolarHBondContact OE1-NH2 3.49Å; E79-R82 IonicContact OE2-CZ 3.58Å; E79-R82 IonicContact OE2-NE 3.59Å; E79-R82 PolarHBondContact OE2-NE 2.85Å; E79-R82 IonicContact OE2-NH2 3.51Å; R82-T84 VanDerWaalsContact C-N 3.28Å; R82-T84 PolarHBondContact O-N 3Å; R82-F85 WeakPolarHBondContact O-CB 3.44Å; R82-F85 PolarHBondContact O-N 2.85Å; R82-F85 VanDerWaalsContact O-N 3.1Å; R82-D86 IonicContact CZ-OD2 3.59Å; R82-D86 VanDerWaalsContact CZ-OD2 3.31Å; R82-D86 IonicContact NH1-OD1 2.78Å; R82-D86 IonicContact NH1-OD2 2.67Å; R82-D86 PolarHBondContact NH1-OD2 2.79Å; R82-D86 IonicContact NH2-OD2 3.42Å; R82-D86 PolarHBondContact NH2-OD2 2.87Å; R82-D86 PolarHBondContact O-N 3.43Å |
| 83 | Q | 92.8 | Very high | 90.5 | Very high | 87 Ų | 87 | 68.3 Ų | 68.3 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -31.1 | 177 | -70.8 | 169.5 | 6.5 | 0 | 0 | 113.3 | E79 V81 D86 N87 | E79-Q83 VanDerWaalsContact O-CG 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.34Å; E79-Q83 PolarHBondContact O-N 3.09Å; E79-Q83 PolarHBondContact OE1-NE2 3.01Å; V81-Q83 PolarHBondContact O-N 3.1Å; Q83-D86 PolarHBondContact O-N 2.87Å; Q83-N87 WeakPolarHBondContact O-CB 3.34Å; Q83-N87 VanDerWaalsContact O-CG 3.3Å; Q83-N87 PolarHBondContact O-N 3.42Å; Q83-N87 PolarHBondContact O-OD1 2.84Å |
| 84 | T | 92.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 174 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | K80 V81 R82 Y88 E89 N91 F93 I111 | K80-T84 PolarHBondContact O-N 2.92Å; K80-T84 PolarHBondContact O-OG1 2.78Å; V81-T84 WeakPolarHBondContact O-CB 3.49Å; V81-T84 PolarHBondContact O-N 3.25Å; V81-T84 VanDerWaalsContact O-N 3.14Å; R82-T84 VanDerWaalsContact C-N 3.28Å; R82-T84 PolarHBondContact O-N 3Å; T84-Y88 PolarHBondContact O-N 2.68Å; T84-E89 HydrophobicContact CG2-CB 4.1Å; T84-E89 WeakPolarHBondContact CG2-O 3.41Å; T84-E89 PolarHBondContact O-N 2.78Å; T84-E89 VanDerWaalsContact O-N 3.13Å; T84-N91 HydrophobicContact CG2-CB 3.87Å; T84-N91 PolarHBondContact OG1-ND2 3.47Å; T84-F93 HydrophobicContact CG2-CE2 4.33Å; T84-F93 WeakPolarHBondContact OG1-CE2 3.36Å; T84-F93 VanDerWaalsContact OG1-CZ 3.24Å; T84-F93 WeakPolarHBondContact OG1-CZ 3.42Å; T84-I111 HydrophobicContact CG2-CB 4.26Å; T84-I111 HydrophobicContact CG2-CD1 4.07Å; T84-I111 HydrophobicContact CG2-CG2 4.18Å |
| 85 | F | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 173.4 | -76.5 | -79.9 | 0 | 0 | 0 | 111.7 | W38 S63 T64 V81 R82 Y88 M109 I111 F124 | W38-F85 HydrophobicContact CB-CD1 4.42Å; W38-F85 HydrophobicContact CD2-CB 3.75Å; W38-F85 HydrophobicContact CD2-CD1 4.11Å; W38-F85 HydrophobicContact CD2-CG 4.06Å; W38-F85 HydrophobicContact CE3-CB 3.85Å; W38-F85 HydrophobicContact CE3-CD1 4.44Å; W38-F85 HydrophobicContact CE3-CD2 4.49Å; W38-F85 HydrophobicContact CE3-CG 4.05Å; W38-F85 HydrophobicContact CG-CB 4.5Å; W38-F85 HydrophobicContact CG-CD1 4.09Å; W38-F85 HydrophobicContact CH2-CB 3.65Å; W38-F85 HydrophobicContact CZ2-CB 3.55Å; W38-F85 HydrophobicContact CZ3-CB 3.8Å; W38-F85 HydrophobicContact CZ3-CG 4.36Å; S63-F85 WeakPolarHBondContact OG-CE1 3.45Å; S63-F85 VanDerWaalsContact OG-CZ 3.3Å; S63-F85 WeakPolarHBondContact OG-CZ 3.25Å; T64-F85 HydrophobicContact CG2-CD2 3.78Å; T64-F85 HydrophobicContact CG2-CE2 3.76Å; V81-F85 HydrophobicContact CG1-CD2 4.03Å; V81-F85 HydrophobicContact CG1-CE2 3.76Å; V81-F85 VanDerWaalsContact O-CD2 3.28Å; V81-F85 WeakPolarHBondContact O-CD2 3.46Å; V81-F85 PolarHBondContact O-N 2.83Å; R82-F85 WeakPolarHBondContact O-CB 3.44Å; R82-F85 PolarHBondContact O-N 2.85Å; R82-F85 VanDerWaalsContact O-N 3.1Å; F85-Y88 PolarHBondContact O-N 2.96Å; F85-M109 HydrophobicContact CE2-CE 4.2Å; F85-M109 HydrophobicContact CZ-CE 4.26Å; F85-I111 HydrophobicContact CD2-CD1 4.22Å; F85-I111 HydrophobicContact CE1-CG2 4.29Å; F85-I111 HydrophobicContact CE2-CD1 3.73Å; F85-I111 HydrophobicContact CZ-CD1 4.17Å; F85-I111 HydrophobicContact CZ-CG2 4.32Å; F85-F124 HydrophobicContact CB-CZ 4.43Å; F85-F124 HydrophobicContact CD1-CB 4.36Å; F85-F124 AromaticContact CD1-CD1 3.94Å; F85-F124 HydrophobicContact CD1-CD1 3.94Å; F85-F124 AromaticContact CD1-CD2 3.59Å; F85-F124 HydrophobicContact CD1-CD2 3.59Å; F85-F124 HydrophobicContact CD1-CE1 4.01Å; F85-F124 AromaticContact CD1-CE2 3.67Å; F85-F124 HydrophobicContact CD1-CE2 3.67Å; F85-F124 AromaticContact CD1-CG 3.72Å; F85-F124 HydrophobicContact CD1-CG 3.72Å; F85-F124 AromaticContact CD1-CZ 3.87Å; F85-F124 HydrophobicContact CD1-CZ 3.87Å; F85-F124 HydrophobicContact CE1-CB 3.8Å; F85-F124 HydrophobicContact CE1-CD1 4.06Å; F85-F124 AromaticContact CE1-CD2 3.88Å; F85-F124 HydrophobicContact CE1-CD2 3.88Å; F85-F124 HydrophobicContact CE1-CE2 4.41Å; F85-F124 AromaticContact CE1-CG 3.67Å; F85-F124 HydrophobicContact CE1-CG 3.67Å; F85-F124 WeakPolarHBondContact O-CZ 3.37Å |
| 86 | D | 91.9 | Very high | 90.3 | Very high | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 175 | -67.5 | -32.1 | 0 | 0 | 0 | 112.2 | W38 R82 Q83 Y88 | W38-D86 VanDerWaalsContact CH2-OD1 3.28Å; W38-D86 WeakPolarHBondContact CH2-OD1 3.32Å; W38-D86 WeakPolarHBondContact CZ2-OD1 3.44Å; R82-D86 IonicContact CZ-OD2 3.59Å; R82-D86 VanDerWaalsContact CZ-OD2 3.31Å; R82-D86 IonicContact NH1-OD1 2.78Å; R82-D86 IonicContact NH1-OD2 2.67Å; R82-D86 PolarHBondContact NH1-OD2 2.79Å; R82-D86 IonicContact NH2-OD2 3.42Å; R82-D86 PolarHBondContact NH2-OD2 2.87Å; R82-D86 PolarHBondContact O-N 3.43Å; Q83-D86 PolarHBondContact O-N 2.87Å; D86-Y88 VanDerWaalsContact C-N 3.35Å; D86-Y88 PolarHBondContact O-N 3Å |
| 87 | N | 92.7 | Very high | 90.3 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -81.1 | -8.7 | -176.3 | -70.6 | 5.6 | 0 | 0 | 0 | 114.2 | Q83 E89 | Q83-N87 WeakPolarHBondContact O-CB 3.34Å; Q83-N87 VanDerWaalsContact O-CG 3.3Å; Q83-N87 PolarHBondContact O-N 3.42Å; Q83-N87 PolarHBondContact O-OD1 2.84Å; N87-E89 VanDerWaalsContact C-N 3.26Å; N87-E89 HydrophobicContact CB-CB 4.45Å; N87-E89 HydrophobicContact CB-CG 3.86Å; N87-E89 WeakPolarHBondContact CB-OE1 3.29Å; N87-E89 PolarHBondContact ND2-OE1 3.04Å; N87-E89 PolarHBondContact O-N 3.04Å |
| 88 | Y | 90.6 | Very high | 90.4 | Very high | 108 Ų | 108 | 53 Ų | 53 | 42% | 0.424 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 38.4 | -167.8 | -50.9 | -83.6 | 0 | 0 | 0 | 113.9 | A33 T84 F85 D86 P113 V121 F124 | A33-Y88 HydrophobicContact CB-CE1 4.24Å; T84-Y88 PolarHBondContact O-N 2.68Å; F85-Y88 PolarHBondContact O-N 2.96Å; D86-Y88 VanDerWaalsContact C-N 3.35Å; D86-Y88 PolarHBondContact O-N 3Å; Y88-P113 WeakPolarHBondContact O-CG 3.4Å; Y88-V121 HydrophobicContact CD1-CB 3.99Å; Y88-V121 HydrophobicContact CD1-CG1 3.89Å; Y88-V121 HydrophobicContact CD1-CG2 4.34Å; Y88-V121 HydrophobicContact CG-CG2 4.46Å; Y88-F124 HydrophobicContact CD1-CE1 4.48Å; Y88-F124 HydrophobicContact CD1-CE2 4.04Å; Y88-F124 AromaticContact CD1-CZ 3.56Å; Y88-F124 HydrophobicContact CD1-CZ 3.56Å; Y88-F124 HydrophobicContact CE1-CE2 4.25Å; Y88-F124 HydrophobicContact CE1-CZ 4.18Å; Y88-F124 HydrophobicContact CG-CZ 4.38Å |
| 89 | E | 87.4 | Confident | 90.3 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | trans | -87.3 | 163.5 | 177.2 | -78.1 | 173.9 | -144.3 | 0 | 0 | 112.4 | T84 N87 N91 | T84-E89 HydrophobicContact CG2-CB 4.1Å; T84-E89 WeakPolarHBondContact CG2-O 3.41Å; T84-E89 PolarHBondContact O-N 2.78Å; T84-E89 VanDerWaalsContact O-N 3.13Å; N87-E89 VanDerWaalsContact C-N 3.26Å; N87-E89 HydrophobicContact CB-CB 4.45Å; N87-E89 HydrophobicContact CB-CG 3.86Å; N87-E89 WeakPolarHBondContact CB-OE1 3.29Å; N87-E89 PolarHBondContact ND2-OE1 3.04Å; N87-E89 PolarHBondContact O-N 3.04Å; E89-N91 PolarHBondContact OE2-ND2 3.22Å | ||
| 90 | S | 87 | Confident | 90.2 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | trans | -106.7 | 111.6 | 165.6 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | I111 | S90-I111 VanDerWaalsContact CA-O 3.24Å; S90-I111 WeakPolarHBondContact CA-O 3.36Å; S90-I111 WeakPolarHBondContact CB-O 3.46Å; S90-I111 PolarHBondContact OG-O 3.07Å | ||
| 91 | N | 86.9 | Confident | 90.1 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 31% | 0.305 | 27% | 0.266 | S | S | . | . | trans | -135 | 160.1 | -180 | -77.1 | -56.5 | 0 | 0 | 0 | 110.4 | T84 E89 F93 I111 | T84-N91 HydrophobicContact CG2-CB 3.87Å; T84-N91 PolarHBondContact OG1-ND2 3.47Å; E89-N91 PolarHBondContact OE2-ND2 3.22Å; N91-F93 HydrophobicContact CB-CE2 3.57Å; N91-F93 HydrophobicContact CB-CZ 3.69Å; N91-I111 PolarHBondContact N-O 3.27Å; N91-I111 PolarHBondContact O-N 3.04Å | ||
| 92 | C | 86.9 | Confident | 89.7 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 37% | 0.372 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.2 | 177.2 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | Y108 M109 | C92-Y108 HydrophobicContact CB-CE1 4.17Å; C92-Y108 HydrophobicContact CB-CE2 4.1Å; C92-Y108 VanDerWaalsContact CB-OH 3.32Å; C92-Y108 WeakPolarHBondContact CB-OH 3.41Å; C92-Y108 PolarHBondContact SG-OH 3.19Å; C92-M109 WeakPolarHBondContact CA-O 3.42Å |
| 93 | F | 88.1 | Confident | 89.4 | Confident | 27 Ų | 27 | 60 Ų | 60 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.3 | -175.6 | -63.6 | -75.3 | 0 | 0 | 0 | 111.9 | K80 V81 T84 N91 Y108 M109 I111 | K80-F93 HydrophobicContact CB-CD1 4.48Å; K80-F93 HydrophobicContact CB-CE1 3.68Å; K80-F93 HydrophobicContact CB-CZ 4.19Å; V81-F93 HydrophobicContact CG2-CB 4.02Å; V81-F93 HydrophobicContact CG2-CD1 4.12Å; V81-F93 HydrophobicContact CG2-CD2 3.56Å; V81-F93 HydrophobicContact CG2-CE2 4.06Å; V81-F93 HydrophobicContact CG2-CG 3.6Å; T84-F93 HydrophobicContact CG2-CE2 4.33Å; T84-F93 WeakPolarHBondContact OG1-CE2 3.36Å; T84-F93 VanDerWaalsContact OG1-CZ 3.24Å; T84-F93 WeakPolarHBondContact OG1-CZ 3.42Å; N91-F93 HydrophobicContact CB-CE2 3.57Å; N91-F93 HydrophobicContact CB-CZ 3.69Å; F93-Y108 WeakPolarHBondContact O-CA 3.37Å; F93-M109 PolarHBondContact N-O 2.94Å; F93-M109 PolarHBondContact O-N 2.93Å; F93-I111 HydrophobicContact CD2-CD1 3.99Å; F93-I111 HydrophobicContact CE2-CD1 3.96Å |
| 94 | E | 88.4 | Confident | 89.1 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 36% | 0.36 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 107 | 168.1 | -60.8 | -177.9 | 116.9 | 0 | 0 | 107.7 | F107 Y108 I131 K135 | E94-F107 WeakPolarHBondContact CA-O 3.16Å; E94-Y108 HydrophobicContact CG-CD2 4.27Å; E94-I131 HydrophobicContact CB-CD1 4.12Å; E94-I131 HydrophobicContact CG-CD1 3.89Å; E94-K135 WeakPolarHBondContact OE1-CE 3.42Å; E94-K135 IonicContact OE1-NZ 3.21Å; E94-K135 PolarHBondContact OE1-NZ 2.97Å; E94-K135 VanDerWaalsContact OE1-NZ 3.14Å; E94-K135 WeakPolarHBondContact OE2-CE 3.27Å; E94-K135 IonicContact OE2-NZ 3.22Å; E94-K135 PolarHBondContact OE2-NZ 2.98Å |
| 95 | V | 89 | Confident | 88.8 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.1 | -170.4 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | T73 T77 L97 F107 M109 | T73-V95 HydrophobicContact CG2-CG2 4.11Å; T77-V95 HydrophobicContact CG2-CB 4.06Å; T77-V95 HydrophobicContact CG2-CG2 4.17Å; V95-L97 HydrophobicContact CG1-CD1 4.04Å; V95-L97 HydrophobicContact CG1-CD2 4.45Å; V95-L97 HydrophobicContact CG1-CG 4.04Å; V95-L97 HydrophobicContact CG2-CD2 3.76Å; V95-L97 HydrophobicContact CG2-CG 4.09Å; V95-F107 HydrophobicContact CG1-CB 4.45Å; V95-F107 PolarHBondContact N-O 3.39Å; V95-F107 PolarHBondContact O-N 3.08Å; V95-M109 HydrophobicContact CG1-CB 4.15Å; V95-M109 HydrophobicContact CG1-SD 4.48Å |
| 96 | L | 90.1 | Very high | 88.4 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.9 | 173.7 | -172.9 | 162.1 | 0 | 0 | 0 | 109.3 | L72 T73 Y98 P104 V105 W106 | L72-L96 HydrophobicContact CB-CD1 4.09Å; L72-L96 HydrophobicContact CB-CD2 3.91Å; T73-L96 WeakPolarHBondContact CB-O 2.99Å; T73-L96 VanDerWaalsContact CG2-O 3.28Å; T73-L96 WeakPolarHBondContact CG2-O 3.2Å; T73-L96 PolarHBondContact OG1-O 3.16Å; L96-Y98 HydrophobicContact CD2-CD2 4.26Å; L96-Y98 HydrophobicContact CD2-CE2 3.78Å; L96-P104 HydrophobicContact CD1-CB 4.48Å; L96-P104 HydrophobicContact CD2-CB 3.72Å; L96-P104 HydrophobicContact CG-CB 4.31Å; L96-V105 WeakPolarHBondContact CA-O 3.34Å; L96-W106 HydrophobicContact CB-CD2 4.08Å; L96-W106 HydrophobicContact CB-CE3 4.16Å; L96-W106 HydrophobicContact CB-CH2 4.32Å; L96-W106 HydrophobicContact CB-CZ2 4.25Å; L96-W106 HydrophobicContact CB-CZ3 4.28Å; L96-W106 HydrophobicContact CD1-CZ2 4.16Å |
| 97 | L | 91.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 159.4 | 178.3 | -53.5 | 172.2 | 0 | 0 | 0 | 110.8 | C65 M68 Y69 T73 V95 V105 F107 F128 | C65-L97 HydrophobicContact CB-CD1 4.14Å; M68-L97 HydrophobicContact CB-CB 3.98Å; M68-L97 HydrophobicContact CB-CD2 4.5Å; M68-L97 HydrophobicContact CE-CB 4.19Å; Y69-L97 HydrophobicContact CD1-CD2 3.57Å; Y69-L97 HydrophobicContact CE1-CD2 3.75Å; T73-L97 HydrophobicContact CG2-CD2 4.33Å; V95-L97 HydrophobicContact CG1-CD1 4.04Å; V95-L97 HydrophobicContact CG1-CD2 4.45Å; V95-L97 HydrophobicContact CG1-CG 4.04Å; V95-L97 HydrophobicContact CG2-CD2 3.76Å; V95-L97 HydrophobicContact CG2-CG 4.09Å; L97-V105 PolarHBondContact N-O 2.99Å; L97-V105 PolarHBondContact O-N 2.83Å; L97-V105 VanDerWaalsContact O-O 3.14Å; L97-F107 HydrophobicContact CB-CD2 3.7Å; L97-F107 HydrophobicContact CB-CE2 3.8Å; L97-F107 HydrophobicContact CD1-CD2 3.87Å; L97-F107 HydrophobicContact CD1-CE2 4.46Å; L97-F107 HydrophobicContact CG-CD2 4Å; L97-F128 HydrophobicContact CD1-CE1 4.47Å |
| 98 | Y | 89.8 | Confident | 88 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 11% | 0.106 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 129.1 | -177.4 | -70.2 | -110.2 | 0 | 0 | 0 | 110.6 | M68 E71 L72 L96 R102 P104 | M68-Y98 WeakPolarHBondContact CB-O 3.35Å; M68-Y98 WeakPolarHBondContact CE-O 3.42Å; M68-Y98 PolarHBondContact O-N 3.04Å; E71-Y98 PolarHBondContact N-OH 2.97Å; L72-Y98 HydrophobicContact CB-CE2 4.49Å; L72-Y98 WeakPolarHBondContact CB-OH 3.42Å; L72-Y98 WeakPolarHBondContact CG-OH 3.26Å; L72-Y98 PolarHBondContact N-OH 3.4Å; L72-Y98 VanDerWaalsContact N-OH 3.08Å; L96-Y98 HydrophobicContact CD2-CD2 4.26Å; L96-Y98 HydrophobicContact CD2-CE2 3.78Å; Y98-R102 WeakPolarHBondContact CD1-O 3.37Å; Y98-P104 HydrophobicContact CE1-CB 4.27Å |
| 99 | K | 90.3 | Very high | 88 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | trans | -73.9 | 167.4 | 171 | -66.9 | 178.6 | -179.4 | 173.4 | 0 | 110.4 | L50 S51 N101 R102 T103 V105 F107 D130 | L50-K99 WeakPolarHBondContact O-CD 3.32Å; L50-K99 WeakPolarHBondContact O-CE 3.49Å; S51-K99 WeakPolarHBondContact O-CA 3.4Å; S51-K99 WeakPolarHBondContact O-CB 3.45Å; K99-N101 VanDerWaalsContact CB-OD1 3.26Å; K99-N101 WeakPolarHBondContact CB-OD1 3.38Å; K99-N101 PolarHBondContact O-N 3.4Å; K99-R102 WeakPolarHBondContact O-CA 3.35Å; K99-R102 PolarHBondContact O-N 3.08Å; K99-T103 PolarHBondContact N-O 3.43Å; K99-T103 VanDerWaalsContact N-O 3.07Å; K99-V105 HydrophobicContact CD-CB 4.47Å; K99-V105 HydrophobicContact CD-CG2 3.83Å; K99-V105 VanDerWaalsContact CE-CG2 3.47Å; K99-V105 HydrophobicContact CG-CG2 4.28Å; K99-F107 HydrophobicContact CG-CZ 4.37Å; K99-D130 IonicContact NZ-OD2 2.71Å; K99-D130 PolarHBondContact NZ-OD2 3.27Å | ||
| 100 | K | 90.4 | Very high | 87.9 | Confident | 102 Ų | 102 | 48.8 Ų | 48.8 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.4 | -175.3 | -168 | 170 | -174.6 | 173.8 | 0 | 114.4 | S51 G52 Y53 D57 R102 | S51-K100 PolarHBondContact O-N 2.83Å; G52-K100 WeakPolarHBondContact O-CD 3.33Å; Y53-K100 HydrophobicContact CD1-CB 4.26Å; Y53-K100 HydrophobicContact CD1-CD 3.73Å; Y53-K100 HydrophobicContact CD1-CG 4.01Å; Y53-K100 HydrophobicContact CD2-CB 3.77Å; Y53-K100 HydrophobicContact CD2-CG 4.42Å; Y53-K100 HydrophobicContact CE1-CB 4.12Å; Y53-K100 HydrophobicContact CE1-CD 4.02Å; Y53-K100 HydrophobicContact CE1-CG 3.8Å; Y53-K100 HydrophobicContact CE2-CB 3.6Å; Y53-K100 HydrophobicContact CE2-CG 4.23Å; Y53-K100 HydrophobicContact CG-CB 4.1Å; Y53-K100 HydrophobicContact CG-CD 4.04Å; Y53-K100 HydrophobicContact CG-CG 4.32Å; D57-K100 IonicContact OD1-NZ 2.65Å; D57-K100 IonicContact OD2-NZ 3.73Å; D57-K100 PolarHBondContact OD2-NZ 3.46Å; K100-R102 VanDerWaalsContact C-N 3.27Å; K100-R102 PolarHBondContact O-N 3.06Å |
| 101 | N | 88.4 | Confident | 88.1 | Confident | 113 Ų | 113 | 45.6 Ų | 45.6 | 60% | 0.604 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 12.6 | 173.5 | 66.3 | -21.2 | 0 | 0 | 0 | 114.2 | K99 T103 | K99-N101 VanDerWaalsContact CB-OD1 3.26Å; K99-N101 WeakPolarHBondContact CB-OD1 3.38Å; K99-N101 PolarHBondContact O-N 3.4Å; N101-T103 VanDerWaalsContact C-N 3.26Å; N101-T103 WeakPolarHBondContact ND2-CG2 3.35Å; N101-T103 PolarHBondContact ND2-OG1 2.89Å; N101-T103 PolarHBondContact O-N 3.06Å; N101-T103 PolarHBondContact OD1-N 3.31Å; N101-T103 PolarHBondContact OD1-OG1 2.94Å |
| 102 | R | 85.2 | Confident | 88.2 | Confident | 165 Ų | 165 | 43.1 Ų | 43.1 | 62% | 0.623 | 21% | 0.208 | S | C | * | . | trans | 60.3 | 17.4 | -176 | -58.8 | -64.8 | -165.8 | 166.4 | 4.8 | 116.1 | Y98 K99 K100 | Y98-R102 WeakPolarHBondContact CD1-O 3.37Å; K99-R102 WeakPolarHBondContact O-CA 3.35Å; K99-R102 PolarHBondContact O-N 3.08Å; K100-R102 VanDerWaalsContact C-N 3.27Å; K100-R102 PolarHBondContact O-N 3.06Å | ||
| 103 | T | 85.3 | Confident | 88.4 | Confident | 59 Ų | 59 | 41.8 Ų | 41.8 | 36% | 0.362 | 20% | 0.198 | S | C | . | . | trans | -76.4 | 126.5 | 170.9 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | K99 N101 | K99-T103 PolarHBondContact N-O 3.43Å; K99-T103 VanDerWaalsContact N-O 3.07Å; N101-T103 VanDerWaalsContact C-N 3.26Å; N101-T103 WeakPolarHBondContact ND2-CG2 3.35Å; N101-T103 PolarHBondContact ND2-OG1 2.89Å; N101-T103 PolarHBondContact O-N 3.06Å; N101-T103 PolarHBondContact OD1-N 3.31Å; N101-T103 PolarHBondContact OD1-OG1 2.94Å | ||
| 104 | P | 86.3 | Confident | 88.4 | Confident | 63 Ų | 63 | 40.5 Ų | 40.5 | 41% | 0.409 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 136.1 | 176 | 30.6 | -34.1 | 0 | 0 | 0 | 110.8 | L96 Y98 | L96-P104 HydrophobicContact CD1-CB 4.48Å; L96-P104 HydrophobicContact CD2-CB 3.72Å; L96-P104 HydrophobicContact CG-CB 4.31Å; Y98-P104 HydrophobicContact CE1-CB 4.27Å |
| 105 | V | 85.4 | Confident | 88.3 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 136.6 | -174.8 | 168.4 | 0 | 0 | 0 | 0 | 109.6 | L96 L97 K99 F107 D130 T132 | L96-V105 WeakPolarHBondContact CA-O 3.34Å; L97-V105 PolarHBondContact N-O 2.99Å; L97-V105 PolarHBondContact O-N 2.83Å; L97-V105 VanDerWaalsContact O-O 3.14Å; K99-V105 HydrophobicContact CD-CB 4.47Å; K99-V105 HydrophobicContact CD-CG2 3.83Å; K99-V105 VanDerWaalsContact CE-CG2 3.47Å; K99-V105 HydrophobicContact CG-CG2 4.28Å; V105-F107 HydrophobicContact CB-CE2 3.81Å; V105-F107 HydrophobicContact CB-CZ 3.98Å; V105-F107 HydrophobicContact CG1-CD1 4.34Å; V105-F107 HydrophobicContact CG1-CD2 4.16Å; V105-F107 HydrophobicContact CG1-CE1 3.82Å; V105-F107 HydrophobicContact CG1-CE2 3.63Å; V105-F107 HydrophobicContact CG1-CZ 3.47Å; V105-F107 VanDerWaalsContact CG1-CZ 3.47Å; V105-F107 WeakPolarHBondContact O-CD2 3.25Å; V105-D130 VanDerWaalsContact CG1-CG 3.46Å; V105-D130 WeakPolarHBondContact CG1-OD1 3.45Å; V105-D130 WeakPolarHBondContact CG1-OD2 3.25Å; V105-T132 WeakPolarHBondContact CG1-OG1 3.44Å |
| 106 | W | 86.1 | Confident | 88.1 | Confident | 85 Ų | 85 | 44.2 Ų | 44.2 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 121.6 | 174 | -75.8 | 95.4 | 0 | 0 | 0 | 110.3 | L96 I131 T132 K135 | L96-W106 HydrophobicContact CB-CD2 4.08Å; L96-W106 HydrophobicContact CB-CE3 4.16Å; L96-W106 HydrophobicContact CB-CH2 4.32Å; L96-W106 HydrophobicContact CB-CZ2 4.25Å; L96-W106 HydrophobicContact CB-CZ3 4.28Å; L96-W106 HydrophobicContact CD1-CZ2 4.16Å; W106-I131 HydrophobicContact CB-CD1 4.46Å; W106-I131 HydrophobicContact CB-CG1 3.77Å; W106-I131 WeakPolarHBondContact O-CG1 3.35Å; W106-I131 PolarHBondContact O-N 2.88Å; W106-T132 PolarHBondContact N-OG1 2.76Å; W106-K135 HydrophobicContact CB-CB 4.29Å; W106-K135 HydrophobicContact CB-CG 4.22Å; W106-K135 HydrophobicContact CD2-CB 4.24Å; W106-K135 HydrophobicContact CD2-CG 4.11Å; W106-K135 HydrophobicContact CG-CB 3.83Å; W106-K135 HydrophobicContact CG-CG 3.98Å |
| 107 | F | 88.5 | Confident | 87.6 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 135.6 | 173.4 | -64.3 | -77.6 | 0 | 0 | 0 | 110.7 | L50 M68 E94 V95 L97 K99 V105 F128 K129 | L50-F107 HydrophobicContact CD1-CE1 3.96Å; L50-F107 HydrophobicContact CD2-CD1 4.2Å; L50-F107 HydrophobicContact CD2-CE1 3.72Å; L50-F107 HydrophobicContact CG-CE1 3.69Å; L50-F107 HydrophobicContact CG-CZ 4.42Å; M68-F107 HydrophobicContact CE-CE2 4.07Å; M68-F107 HydrophobicContact CE-CZ 4.3Å; E94-F107 WeakPolarHBondContact CA-O 3.16Å; V95-F107 HydrophobicContact CG1-CB 4.45Å; V95-F107 PolarHBondContact N-O 3.39Å; V95-F107 PolarHBondContact O-N 3.08Å; L97-F107 HydrophobicContact CB-CD2 3.7Å; L97-F107 HydrophobicContact CB-CE2 3.8Å; L97-F107 HydrophobicContact CD1-CD2 3.87Å; L97-F107 HydrophobicContact CD1-CE2 4.46Å; L97-F107 HydrophobicContact CG-CD2 4Å; K99-F107 HydrophobicContact CG-CZ 4.37Å; V105-F107 HydrophobicContact CB-CE2 3.81Å; V105-F107 HydrophobicContact CB-CZ 3.98Å; V105-F107 HydrophobicContact CG1-CD1 4.34Å; V105-F107 HydrophobicContact CG1-CD2 4.16Å; V105-F107 HydrophobicContact CG1-CE1 3.82Å; V105-F107 HydrophobicContact CG1-CE2 3.63Å; V105-F107 HydrophobicContact CG1-CZ 3.47Å; V105-F107 VanDerWaalsContact CG1-CZ 3.47Å; V105-F107 WeakPolarHBondContact O-CD2 3.25Å; F107-F128 HydrophobicContact CB-CD1 4.28Å; F107-F128 HydrophobicContact CD1-CB 4.48Å; F107-F128 HydrophobicContact CG-CD1 4.46Å; F107-K129 WeakPolarHBondContact CA-O 3.29Å |
| 108 | Y | 87.4 | Confident | 87.2 | Confident | 25 Ų | 25 | 53.9 Ų | 53.9 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 114.4 | 155.3 | -173.4 | -90.9 | 0 | 0 | 0 | 107.5 | C92 F93 E94 Q110 F128 K129 L185 | C92-Y108 HydrophobicContact CB-CE1 4.17Å; C92-Y108 HydrophobicContact CB-CE2 4.1Å; C92-Y108 VanDerWaalsContact CB-OH 3.32Å; C92-Y108 WeakPolarHBondContact CB-OH 3.41Å; C92-Y108 PolarHBondContact SG-OH 3.19Å; F93-Y108 WeakPolarHBondContact O-CA 3.37Å; E94-Y108 HydrophobicContact CG-CD2 4.27Å; Y108-Q110 HydrophobicContact CE1-CB 4.21Å; Y108-F128 WeakPolarHBondContact O-CA 3.45Å; Y108-K129 PolarHBondContact N-O 2.9Å; Y108-K129 PolarHBondContact O-N 3.24Å; Y108-L185 HydrophobicContact CD1-CD1 3.91Å; Y108-L185 HydrophobicContact CD2-CD1 3.68Å; Y108-L185 HydrophobicContact CE1-CB 3.82Å; Y108-L185 HydrophobicContact CE1-CD1 3.83Å; Y108-L185 HydrophobicContact CE1-CG 4.39Å; Y108-L185 HydrophobicContact CE2-CD1 3.61Å; Y108-L185 HydrophobicContact CG-CD1 3.81Å |
| 109 | M | 88.9 | Confident | 86.9 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110.8 | -179.7 | 178.8 | 176.5 | 176 | 0 | 0 | 109 | S63 V81 F85 C92 F93 V95 I111 C126 T127 F128 | S63-M109 WeakPolarHBondContact O-CE 3.13Å; V81-M109 HydrophobicContact CG1-CE 4.32Å; F85-M109 HydrophobicContact CE2-CE 4.2Å; F85-M109 HydrophobicContact CZ-CE 4.26Å; C92-M109 WeakPolarHBondContact CA-O 3.42Å; F93-M109 PolarHBondContact N-O 2.94Å; F93-M109 PolarHBondContact O-N 2.93Å; V95-M109 HydrophobicContact CG1-CB 4.15Å; V95-M109 HydrophobicContact CG1-SD 4.48Å; M109-I111 HydrophobicContact CE-CD1 4.04Å; M109-I111 HydrophobicContact CE-CG1 3.97Å; M109-I111 HydrophobicContact CG-CG1 4.36Å; M109-C126 HydrophobicContact CE-CB 4.22Å; M109-T127 WeakPolarHBondContact CA-O 3.32Å; M109-F128 HydrophobicContact CB-CD1 4.28Å; M109-F128 HydrophobicContact CB-CE1 4.09Å; M109-F128 HydrophobicContact CE-CE1 4.45Å; M109-F128 HydrophobicContact CE-CZ 4.07Å; M109-F128 HydrophobicContact CG-CD1 4.33Å; M109-F128 HydrophobicContact CG-CE1 3.73Å; M109-F128 HydrophobicContact CG-CZ 4Å; M109-F128 HydrophobicContact SD-CE1 3.77Å; M109-F128 HydrophobicContact SD-CZ 4Å |
| 110 | Q | 87.2 | Confident | 86.7 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.3 | 172.9 | 172.9 | -175.4 | 18.8 | 0 | 0 | 108.8 | Y108 C126 T127 | Y108-Q110 HydrophobicContact CE1-CB 4.21Å; Q110-C126 CarbonylContact O-C 3.58Å; Q110-C126 VanDerWaalsContact O-CA 3.32Å; Q110-C126 WeakPolarHBondContact O-CA 3.28Å; Q110-T127 PolarHBondContact N-O 2.78Å; Q110-T127 PolarHBondContact O-N 2.98Å; Q110-T127 PolarHBondContact OE1-OG1 3.36Å |
| 111 | I | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.3 | 177.4 | -54.7 | 172.7 | 0 | 0 | 0 | 108.1 | V81 T84 F85 S90 N91 F93 M109 F124 | V81-I111 HydrophobicContact CG1-CD1 4.1Å; T84-I111 HydrophobicContact CG2-CB 4.26Å; T84-I111 HydrophobicContact CG2-CD1 4.07Å; T84-I111 HydrophobicContact CG2-CG2 4.18Å; F85-I111 HydrophobicContact CD2-CD1 4.22Å; F85-I111 HydrophobicContact CE1-CG2 4.29Å; F85-I111 HydrophobicContact CE2-CD1 3.73Å; F85-I111 HydrophobicContact CZ-CD1 4.17Å; F85-I111 HydrophobicContact CZ-CG2 4.32Å; S90-I111 VanDerWaalsContact CA-O 3.24Å; S90-I111 WeakPolarHBondContact CA-O 3.36Å; S90-I111 WeakPolarHBondContact CB-O 3.46Å; S90-I111 PolarHBondContact OG-O 3.07Å; N91-I111 PolarHBondContact N-O 3.27Å; N91-I111 PolarHBondContact O-N 3.04Å; F93-I111 HydrophobicContact CD2-CD1 3.99Å; F93-I111 HydrophobicContact CE2-CD1 3.96Å; M109-I111 HydrophobicContact CE-CD1 4.04Å; M109-I111 HydrophobicContact CE-CG1 3.97Å; M109-I111 HydrophobicContact CG-CG1 4.36Å; I111-F124 HydrophobicContact CG2-CD1 3.83Å; I111-F124 HydrophobicContact CG2-CE1 4.32Å |
| 112 | A | 88.8 | Confident | 86.8 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 125.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L125 L192 | A112-L125 PolarHBondContact N-O 2.86Å; A112-L125 PolarHBondContact O-N 2.93Å; A112-L192 HydrophobicContact CB-CD1 4.38Å; A112-L192 HydrophobicContact CB-CD2 3.64Å |
| 113 | P | 90.8 | Very high | 87.1 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 17% | 0.169 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 139.3 | 173.7 | 32.6 | -35.9 | 0 | 0 | 0 | 110.5 | Y88 V121 F124 | Y88-P113 WeakPolarHBondContact O-CG 3.4Å; P113-V121 HydrophobicContact CB-CG1 3.71Å; P113-V121 HydrophobicContact CB-CG2 4.16Å; P113-F124 HydrophobicContact CB-CD1 4.26Å; P113-F124 HydrophobicContact CB-CE1 4.04Å |
| 114 | I | 88 | Confident | 87.4 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.3 | 178.5 | -62.7 | 146.1 | 0 | 0 | 0 | 108.8 | F15 L30 V121 V122 L123 L125 L192 | F15-I114 HydrophobicContact CE2-CD1 4.14Å; F15-I114 HydrophobicContact CE2-CG1 4.31Å; F15-I114 HydrophobicContact CE2-CG2 3.66Å; F15-I114 HydrophobicContact CZ-CD1 3.63Å; F15-I114 HydrophobicContact CZ-CG1 4.29Å; F15-I114 HydrophobicContact CZ-CG2 4.08Å; L30-I114 HydrophobicContact CD2-CD1 3.84Å; I114-V121 WeakPolarHBondContact O-CA 3.44Å; I114-V122 PolarHBondContact O-N 3.24Å; I114-L123 HydrophobicContact CB-CB 4.03Å; I114-L123 WeakPolarHBondContact CB-O 3.35Å; I114-L123 HydrophobicContact CD1-CB 3.6Å; I114-L123 HydrophobicContact CG1-CB 4.46Å; I114-L123 HydrophobicContact CG2-CB 4.47Å; I114-L123 PolarHBondContact N-O 2.94Å; I114-L125 HydrophobicContact CD1-CB 3.85Å; I114-L125 HydrophobicContact CG1-CB 4.38Å; I114-L192 HydrophobicContact CG1-CD2 4.24Å |
| 115 | R | 86.3 | Confident | 87.7 | Confident | 115 Ų | 115 | 41.8 Ų | 41.8 | 43% | 0.434 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 148.2 | 178.4 | -62.1 | 179.1 | -174.8 | -105.6 | 4.7 | 111.7 | E119 K120 V121 Q194 Y195 | R115-E119 VanDerWaalsContact CD-O 3.31Å; R115-E119 WeakPolarHBondContact CD-O 3.41Å; R115-E119 WeakPolarHBondContact CD-OE2 3.39Å; R115-E119 WeakPolarHBondContact CG-O 3.26Å; R115-E119 PolarHBondContact NH1-O 2.85Å; R115-K120 WeakPolarHBondContact CA-O 3.35Å; R115-V121 HydrophobicContact CG-CG2 4.09Å; R115-Q194 CarbonylContact O-C 3.57Å; R115-Q194 VanDerWaalsContact O-CA 3.29Å; R115-Q194 WeakPolarHBondContact O-CA 3.4Å; R115-Q194 WeakPolarHBondContact O-CB 3.26Å; R115-Y195 PolarHBondContact O-N 3.26Å |
| 116 | N | 84.8 | Confident | 87.9 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 24% | 0.235 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 174.4 | 168 | -169.4 | -6.1 | 0 | 0 | 0 | 109.3 | H118 E119 K120 V122 Y195 | N116-H118 PolarHBondContact O-N 3.11Å; N116-E119 WeakPolarHBondContact O-CA 3.37Å; N116-E119 PolarHBondContact O-N 3.34Å; N116-K120 PolarHBondContact N-O 2.97Å; N116-V122 HydrophobicContact CB-CG1 3.73Å; N116-V122 HydrophobicContact CB-CG2 4.01Å; N116-Y195 PolarHBondContact OD1-O 3.41Å |
| 117 | E | 80.7 | Confident | 88 | Confident | 84 Ų | 84 | 37.5 Ų | 37.5 | 39% | 0.393 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21.3 | -178.8 | -1.8 | -169.6 | 165.8 | 0 | 0 | 114.2 | E119 K196 | E117-E119 VanDerWaalsContact C-N 3.29Å; E117-K196 HydrophobicContact CB-CD 4.06Å; E117-K196 HydrophobicContact CB-CG 4.31Å; E117-K196 HydrophobicContact CG-CB 4.16Å; E117-K196 HydrophobicContact CG-CD 4.1Å; E117-K196 HydrophobicContact CG-CG 3.79Å; E117-K196 WeakPolarHBondContact OE1-CG 3.32Å; E117-K196 IonicContact OE2-NZ 3.55Å; E117-K196 PolarHBondContact OE2-NZ 3.22Å |
| 118 | H | 83.3 | Confident | 88 | Confident | 143 Ų | 143 | 37.5 Ų | 37.5 | 66% | 0.662 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 19.2 | 177.8 | -57.8 | 85.9 | 0 | 0 | 0 | 112.7 | N116 K120 | N116-H118 PolarHBondContact O-N 3.11Å; H118-K120 PolarHBondContact O-N 2.83Å |
| 119 | E | 81.8 | Confident | 87.8 | Confident | 97 Ų | 97 | 39.2 Ų | 39.2 | 45% | 0.453 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 54.3 | 0.7 | -173.5 | -67.7 | -58.4 | 143.3 | 0 | 0 | 116.8 | R115 N116 E117 Q194 | R115-E119 VanDerWaalsContact CD-O 3.31Å; R115-E119 WeakPolarHBondContact CD-O 3.41Å; R115-E119 WeakPolarHBondContact CD-OE2 3.39Å; R115-E119 WeakPolarHBondContact CG-O 3.26Å; R115-E119 PolarHBondContact NH1-O 2.85Å; N116-E119 WeakPolarHBondContact O-CA 3.37Å; N116-E119 PolarHBondContact O-N 3.34Å; E117-E119 VanDerWaalsContact C-N 3.29Å; E119-Q194 PolarHBondContact OE1-NE2 2.95Å |
| 120 | K | 87.7 | Confident | 87.6 | Confident | 146 Ų | 146 | 42.2 Ų | 42.2 | 64% | 0.635 | 20% | 0.199 | S | C | * | . | trans | -70 | 135 | 172.8 | -66.1 | -178.6 | -178.8 | 179.5 | 0 | 110.8 | R115 N116 H118 | R115-K120 WeakPolarHBondContact CA-O 3.35Å; N116-K120 PolarHBondContact N-O 2.97Å; H118-K120 PolarHBondContact O-N 2.83Å | ||
| 121 | V | 88.9 | Confident | 87.4 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 133.9 | 171.9 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | A33 Q34 Y88 P113 I114 R115 | A33-V121 HydrophobicContact CB-CG1 3.76Å; Q34-V121 PolarHBondContact NE2-O 3.14Å; Y88-V121 HydrophobicContact CD1-CB 3.99Å; Y88-V121 HydrophobicContact CD1-CG1 3.89Å; Y88-V121 HydrophobicContact CD1-CG2 4.34Å; Y88-V121 HydrophobicContact CG-CG2 4.46Å; P113-V121 HydrophobicContact CB-CG1 3.71Å; P113-V121 HydrophobicContact CB-CG2 4.16Å; I114-V121 WeakPolarHBondContact O-CA 3.44Å; R115-V121 HydrophobicContact CG-CG2 4.09Å |
| 122 | V | 91 | Very high | 86.7 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | -29.6 | -177.3 | -72.9 | 0 | 0 | 0 | 0 | 113.4 | A33 I114 N116 Y195 | A33-V122 VanDerWaalsContact CB-C 3.49Å; A33-V122 PolarHBondContact N-O 2.81Å; I114-V122 PolarHBondContact O-N 3.24Å; N116-V122 HydrophobicContact CB-CG1 3.73Å; N116-V122 HydrophobicContact CB-CG2 4.01Å; V122-Y195 HydrophobicContact CG2-CD1 4.33Å; V122-Y195 HydrophobicContact CG2-CG 4.3Å |
| 123 | L | 92.4 | Very high | 85.9 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.9 | -176.1 | -68.8 | 166.3 | 0 | 0 | 0 | 110 | F15 G31 V41 I114 Y195 | F15-L123 HydrophobicContact CE1-CD1 3.99Å; F15-L123 HydrophobicContact CZ-CD1 4.13Å; G31-L123 CarbonylContact O-C 3.48Å; G31-L123 VanDerWaalsContact O-CA 3.25Å; G31-L123 WeakPolarHBondContact O-CA 3.23Å; G31-L123 WeakPolarHBondContact O-CD2 3.48Å; V41-L123 HydrophobicContact CG2-CD2 3.89Å; I114-L123 HydrophobicContact CB-CB 4.03Å; I114-L123 WeakPolarHBondContact CB-O 3.35Å; I114-L123 HydrophobicContact CD1-CB 3.6Å; I114-L123 HydrophobicContact CG1-CB 4.46Å; I114-L123 HydrophobicContact CG2-CB 4.47Å; I114-L123 PolarHBondContact N-O 2.94Å; L123-Y195 HydrophobicContact CD1-CD2 3.58Å; L123-Y195 HydrophobicContact CD1-CE2 4Å; L123-Y195 HydrophobicContact CD1-CG 4.08Å |
| 124 | F | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125 | 167.1 | -77.3 | -80.8 | 0 | 0 | 0 | 110 | L30 G31 A33 W38 F85 Y88 I111 P113 | L30-F124 WeakPolarHBondContact CA-O 3.43Å; G31-F124 PolarHBondContact N-O 2.96Å; G31-F124 PolarHBondContact O-N 2.79Å; A33-F124 HydrophobicContact CB-CD2 3.57Å; A33-F124 HydrophobicContact CB-CE2 3.51Å; A33-F124 HydrophobicContact CB-CZ 4.47Å; W38-F124 AromaticContact CD1-CE2 3.99Å; F85-F124 HydrophobicContact CB-CZ 4.43Å; F85-F124 HydrophobicContact CD1-CB 4.36Å; F85-F124 AromaticContact CD1-CD1 3.94Å; F85-F124 HydrophobicContact CD1-CD1 3.94Å; F85-F124 AromaticContact CD1-CD2 3.59Å; F85-F124 HydrophobicContact CD1-CD2 3.59Å; F85-F124 HydrophobicContact CD1-CE1 4.01Å; F85-F124 AromaticContact CD1-CE2 3.67Å; F85-F124 HydrophobicContact CD1-CE2 3.67Å; F85-F124 AromaticContact CD1-CG 3.72Å; F85-F124 HydrophobicContact CD1-CG 3.72Å; F85-F124 AromaticContact CD1-CZ 3.87Å; F85-F124 HydrophobicContact CD1-CZ 3.87Å; F85-F124 HydrophobicContact CE1-CB 3.8Å; F85-F124 HydrophobicContact CE1-CD1 4.06Å; F85-F124 AromaticContact CE1-CD2 3.88Å; F85-F124 HydrophobicContact CE1-CD2 3.88Å; F85-F124 HydrophobicContact CE1-CE2 4.41Å; F85-F124 AromaticContact CE1-CG 3.67Å; F85-F124 HydrophobicContact CE1-CG 3.67Å; F85-F124 WeakPolarHBondContact O-CZ 3.37Å; Y88-F124 HydrophobicContact CD1-CE1 4.48Å; Y88-F124 HydrophobicContact CD1-CE2 4.04Å; Y88-F124 AromaticContact CD1-CZ 3.56Å; Y88-F124 HydrophobicContact CD1-CZ 3.56Å; Y88-F124 HydrophobicContact CE1-CE2 4.25Å; Y88-F124 HydrophobicContact CE1-CZ 4.18Å; Y88-F124 HydrophobicContact CG-CZ 4.38Å; I111-F124 HydrophobicContact CG2-CD1 3.83Å; I111-F124 HydrophobicContact CG2-CE1 4.32Å; P113-F124 HydrophobicContact CB-CD1 4.26Å; P113-F124 HydrophobicContact CB-CE1 4.04Å |
| 125 | L | 90.9 | Very high | 83.7 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.7 | 167 | 177.3 | 61.2 | 0 | 0 | 0 | 108.6 | I19 F28 L30 A112 I114 T127 L192 | I19-L125 HydrophobicContact CD1-CD2 4.4Å; I19-L125 HydrophobicContact CG2-CD1 4.32Å; F28-L125 HydrophobicContact CB-CD1 3.95Å; F28-L125 HydrophobicContact CD2-CD1 3.64Å; F28-L125 HydrophobicContact CE2-CD1 4.43Å; F28-L125 HydrophobicContact CG-CD1 4Å; L30-L125 HydrophobicContact CD2-CB 4.22Å; L30-L125 HydrophobicContact CD2-CD1 3.89Å; A112-L125 PolarHBondContact N-O 2.86Å; A112-L125 PolarHBondContact O-N 2.93Å; I114-L125 HydrophobicContact CD1-CB 3.85Å; I114-L125 HydrophobicContact CG1-CB 4.38Å; L125-T127 HydrophobicContact CD1-CG2 4.19Å; L125-T127 HydrophobicContact CD2-CG2 4.19Å; L125-T127 HydrophobicContact CG-CG2 3.94Å; L125-L192 HydrophobicContact CD2-CD2 4.15Å |
| 126 | C | 90.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.2 | 172.1 | -60.3 | 0 | 0 | 0 | 0 | 108.8 | F28 L29 M109 Q110 F128 | F28-C126 CarbonylContact C-O 3.53Å; F28-C126 VanDerWaalsContact CA-O 3.23Å; F28-C126 WeakPolarHBondContact CA-O 3.46Å; F28-C126 WeakPolarHBondContact CB-O 3.33Å; L29-C126 HydrophobicContact CD1-CB 3.75Å; L29-C126 HydrophobicContact CG-CB 3.96Å; L29-C126 PolarHBondContact N-O 2.95Å; L29-C126 PolarHBondContact O-N 2.96Å; M109-C126 HydrophobicContact CE-CB 4.22Å; Q110-C126 CarbonylContact O-C 3.58Å; Q110-C126 VanDerWaalsContact O-CA 3.32Å; Q110-C126 WeakPolarHBondContact O-CA 3.28Å; C126-F128 HydrophobicContact CB-CE2 3.74Å; C126-F128 HydrophobicContact CB-CZ 4.09Å; C126-F128 WeakPolarHBondContact O-CE2 3.45Å |
| 127 | T | 88.3 | Confident | 80.2 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 146 | 176.7 | 80.7 | 0 | 0 | 0 | 0 | 110.8 | S27 F28 M109 Q110 L125 | S27-T127 CarbonylContact O-C 3.56Å; S27-T127 WeakPolarHBondContact O-CA 3.19Å; F28-T127 HydrophobicContact CB-CG2 4.13Å; M109-T127 WeakPolarHBondContact CA-O 3.32Å; Q110-T127 PolarHBondContact N-O 2.78Å; Q110-T127 PolarHBondContact O-N 2.98Å; Q110-T127 PolarHBondContact OE1-OG1 3.36Å; L125-T127 HydrophobicContact CD1-CG2 4.19Å; L125-T127 HydrophobicContact CD2-CG2 4.19Å; L125-T127 HydrophobicContact CG-CG2 3.94Å |
| 128 | F | 87.6 | Confident | 78.3 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131 | -172.3 | -63.4 | -95.8 | 0 | 0 | 0 | 110.9 | S27 L29 F47 L50 L97 F107 Y108 M109 C126 | S27-F128 PolarHBondContact O-N 3.03Å; L29-F128 HydrophobicContact CD2-CE2 3.74Å; L29-F128 HydrophobicContact CD2-CZ 4.04Å; L29-F128 HydrophobicContact CG-CE2 3.92Å; F47-F128 AromaticContact CD2-CD2 3.65Å; F47-F128 HydrophobicContact CD2-CD2 3.65Å; F47-F128 HydrophobicContact CD2-CE2 4.02Å; F47-F128 HydrophobicContact CD2-CG 4.12Å; F47-F128 HydrophobicContact CE2-CD1 4.3Å; F47-F128 AromaticContact CE2-CD2 3.67Å; F47-F128 HydrophobicContact CE2-CD2 3.67Å; F47-F128 HydrophobicContact CE2-CE1 4.3Å; F47-F128 AromaticContact CE2-CE2 3.69Å; F47-F128 HydrophobicContact CE2-CE2 3.69Å; F47-F128 AromaticContact CE2-CG 4Å; F47-F128 HydrophobicContact CE2-CG 4Å; F47-F128 HydrophobicContact CE2-CZ 4.01Å; L50-F128 HydrophobicContact CD2-CB 4.17Å; L97-F128 HydrophobicContact CD1-CE1 4.47Å; F107-F128 HydrophobicContact CB-CD1 4.28Å; F107-F128 HydrophobicContact CD1-CB 4.48Å; F107-F128 HydrophobicContact CG-CD1 4.46Å; Y108-F128 WeakPolarHBondContact O-CA 3.45Å; M109-F128 HydrophobicContact CB-CD1 4.28Å; M109-F128 HydrophobicContact CB-CE1 4.09Å; M109-F128 HydrophobicContact CE-CE1 4.45Å; M109-F128 HydrophobicContact CE-CZ 4.07Å; M109-F128 HydrophobicContact CG-CD1 4.33Å; M109-F128 HydrophobicContact CG-CE1 3.73Å; M109-F128 HydrophobicContact CG-CZ 4Å; M109-F128 HydrophobicContact SD-CE1 3.77Å; M109-F128 HydrophobicContact SD-CZ 4Å; C126-F128 HydrophobicContact CB-CE2 3.74Å; C126-F128 HydrophobicContact CB-CZ 4.09Å; C126-F128 WeakPolarHBondContact O-CE2 3.45Å |
| 129 | K | 85.1 | Confident | 76.3 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.1 | 170.6 | -69.4 | 166.5 | 178.1 | 172.3 | 0 | 109.3 | F107 Y108 I131 L185 | F107-K129 WeakPolarHBondContact CA-O 3.29Å; Y108-K129 PolarHBondContact N-O 2.9Å; Y108-K129 PolarHBondContact O-N 3.24Å; K129-I131 PolarHBondContact O-N 3.36Å; K129-L185 HydrophobicContact CD-CD2 3.47Å; K129-L185 VanDerWaalsContact CD-CD2 3.47Å |
| 130 | D | 83.6 | Confident | 74.1 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 114.5 | 178.4 | -161 | -41.3 | 0 | 0 | 0 | 109.2 | L50 K99 V105 T132 | L50-D130 HydrophobicContact CD1-CB 4.16Å; K99-D130 IonicContact NZ-OD2 2.71Å; K99-D130 PolarHBondContact NZ-OD2 3.27Å; V105-D130 VanDerWaalsContact CG1-CG 3.46Å; V105-D130 WeakPolarHBondContact CG1-OD1 3.45Å; V105-D130 WeakPolarHBondContact CG1-OD2 3.25Å; D130-T132 VanDerWaalsContact OD1-CB 3.27Å; D130-T132 WeakPolarHBondContact OD1-CB 3.34Å; D130-T132 PolarHBondContact OD1-N 2.67Å; D130-T132 PolarHBondContact OD1-OG1 3.36Å |
| 131 | I | 82.8 | Confident | 72 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | trans | -110.5 | 12.5 | -178.7 | 63.3 | 168.8 | 0 | 0 | 0 | 112.6 | E94 W106 K129 L133 F134 K135 | E94-I131 HydrophobicContact CB-CD1 4.12Å; E94-I131 HydrophobicContact CG-CD1 3.89Å; W106-I131 HydrophobicContact CB-CD1 4.46Å; W106-I131 HydrophobicContact CB-CG1 3.77Å; W106-I131 WeakPolarHBondContact O-CG1 3.35Å; W106-I131 PolarHBondContact O-N 2.88Å; K129-I131 PolarHBondContact O-N 3.36Å; I131-L133 PolarHBondContact O-N 3.37Å; I131-L133 VanDerWaalsContact O-N 3.14Å; I131-F134 HydrophobicContact CB-CD2 4.34Å; I131-F134 PolarHBondContact O-N 2.73Å; I131-K135 HydrophobicContact CD1-CG 4.07Å; I131-K135 HydrophobicContact CG1-CG 4.27Å; I131-K135 PolarHBondContact O-N 3.3Å; I131-K135 VanDerWaalsContact O-N 3.14Å | ||
| 132 | T | 77 | Confident | 70 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.2 | -38.1 | -176.7 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | V105 W106 D130 F134 K135 Q136 | V105-T132 WeakPolarHBondContact CG1-OG1 3.44Å; W106-T132 PolarHBondContact N-OG1 2.76Å; D130-T132 VanDerWaalsContact OD1-CB 3.27Å; D130-T132 WeakPolarHBondContact OD1-CB 3.34Å; D130-T132 PolarHBondContact OD1-N 2.67Å; D130-T132 PolarHBondContact OD1-OG1 3.36Å; T132-F134 VanDerWaalsContact C-N 3.25Å; T132-F134 PolarHBondContact O-N 2.86Å; T132-K135 PolarHBondContact O-N 3.26Å; T132-Q136 HydrophobicContact CG2-CG 4.41Å; T132-Q136 WeakPolarHBondContact O-CG 3.44Å; T132-Q136 PolarHBondContact O-N 3.11Å |
| 133 | L | 70.4 | Confident | 67.7 | Low | 97 Ų | 97 | 70.2 Ų | 70.2 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72 | -13.8 | 178.8 | -63.3 | 171.5 | 0 | 0 | 0 | 114.2 | I131 A155 | I131-L133 PolarHBondContact O-N 3.37Å; I131-L133 VanDerWaalsContact O-N 3.14Å; L133-A155 HydrophobicContact CB-CB 4.42Å; L133-A155 HydrophobicContact CD1-CB 3.67Å |
| 134 | F | 65 | Low | 65.7 | Low | 110 Ų | 110 | 78.5 Ų | 78.5 | 48% | 0.482 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -98.6 | -19.4 | 173 | -60.9 | -77.5 | 0 | 0 | 0 | 112.9 | I131 T132 L156 | I131-F134 HydrophobicContact CB-CD2 4.34Å; I131-F134 PolarHBondContact O-N 2.73Å; T132-F134 VanDerWaalsContact C-N 3.25Å; T132-F134 PolarHBondContact O-N 2.86Å; F134-L156 HydrophobicContact CE1-CD2 4.46Å; F134-L156 HydrophobicContact CZ-CD2 4.28Å |
| 135 | K | 67.7 | Low | 63.7 | Low | 76 Ų | 76 | 80.8 Ų | 80.8 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -97.7 | -12.3 | -177.9 | -76.7 | -72.2 | -175.9 | 179.8 | 0 | 114.9 | E94 W106 I131 T132 P137 | E94-K135 WeakPolarHBondContact OE1-CE 3.42Å; E94-K135 IonicContact OE1-NZ 3.21Å; E94-K135 PolarHBondContact OE1-NZ 2.97Å; E94-K135 VanDerWaalsContact OE1-NZ 3.14Å; E94-K135 WeakPolarHBondContact OE2-CE 3.27Å; E94-K135 IonicContact OE2-NZ 3.22Å; E94-K135 PolarHBondContact OE2-NZ 2.98Å; W106-K135 HydrophobicContact CB-CB 4.29Å; W106-K135 HydrophobicContact CB-CG 4.22Å; W106-K135 HydrophobicContact CD2-CB 4.24Å; W106-K135 HydrophobicContact CD2-CG 4.11Å; W106-K135 HydrophobicContact CG-CB 3.83Å; W106-K135 HydrophobicContact CG-CG 3.98Å; I131-K135 HydrophobicContact CD1-CG 4.07Å; I131-K135 HydrophobicContact CG1-CG 4.27Å; I131-K135 PolarHBondContact O-N 3.3Å; I131-K135 VanDerWaalsContact O-N 3.14Å; T132-K135 PolarHBondContact O-N 3.26Å; K135-P137 WeakPolarHBondContact O-CD 3.39Å |
| 136 | Q | 55.8 | Low | 61.8 | Low | 113 Ų | 113 | 91.1 Ų | 91.1 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | trans | -75.5 | 115.4 | 177.9 | -83 | 179.9 | -21 | 0 | 0 | 112.9 | T132 | T132-Q136 HydrophobicContact CG2-CG 4.41Å; T132-Q136 WeakPolarHBondContact O-CG 3.44Å; T132-Q136 PolarHBondContact O-N 3.11Å | ||
| 137 | P | 42.8 | Very low | 60.1 | Low | 117 Ų | 117 | 94.5 Ų | 94.5 | 76% | 0.76 | 49% | 0.487 | S | S | * | . | trans | -69.4 | 172.1 | 144.6 | 34.5 | -34.7 | 0 | 0 | 0 | 110.1 | K135 | K135-P137 WeakPolarHBondContact O-CD 3.39Š| ||
| 138 | I | 41.1 | Very low | 58.2 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 55% | 0.549 | 50% | 0.503 | S | S | . | . | trans | -93.1 | 120.9 | -173.3 | -66 | 130.8 | 0 | 0 | 0 | 110.6 | D140 K148 | I138-D140 VanDerWaalsContact CG2-N 3.34Å; I138-D140 WeakPolarHBondContact CG2-O 3.3Å; I138-K148 HydrophobicContact CD1-CD 4.01Å; I138-K148 HydrophobicContact CG1-CD 4.48Å | ||
| 139 | E | 40.9 | Very low | 56.4 | Low | 197 Ų | 197 | 104.7 Ų | 104.7 | 92% | 0.921 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -100.7 | 81.5 | 152.3 | -76.9 | -169.3 | 155.5 | 0 | 0 | 108.8 | ||
| 140 | D | 35.3 | Very low | 54.8 | Low | 107 Ų | 107 | 103.9 Ų | 103.9 | 57% | 0.572 | 54% | 0.535 | S | S | * | . | trans | -178.5 | 115.4 | 150.8 | -129 | -34.7 | 0 | 0 | 0 | 108.2 | I138 S142 | I138-D140 VanDerWaalsContact CG2-N 3.34Å; I138-D140 WeakPolarHBondContact CG2-O 3.3Å; D140-S142 PolarHBondContact O-N 2.92Å; D140-S142 PolarHBondContact OD1-OG 3.11Å | ||
| 141 | D | 43.3 | Very low | 53.3 | Low | 178 Ų | 178 | 108.6 Ų | 108.6 | 95% | 0.952 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -81.7 | 22.6 | -175.6 | -146.2 | 7.8 | 0 | 0 | 0 | 112.7 | ||
| 142 | S | 47.7 | Very low | 51.6 | Low | 81 Ų | 81 | 111.6 Ų | 111.6 | 57% | 0.566 | 56% | 0.564 | S | S | * | * | trans | -136 | 53.7 | -166.8 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | D140 | D140-S142 PolarHBondContact O-N 2.92Å; D140-S142 PolarHBondContact OD1-OG 3.11Å | ||
| 143 | T | 42.5 | Very low | 50 | Low | 93 Ų | 93 | 113.6 Ų | 113.6 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | trans | -164.3 | 143.5 | 150.2 | 14 | 0 | 0 | 0 | 0 | 114.4 | K148 | T143-K148 WeakPolarHBondContact O-CE 3.02Å; T143-K148 PolarHBondContact O-NZ 3.3Å | ||
| 144 | K | 50.8 | Low | 49 | Very low | 191 Ų | 191 | 117.4 Ų | 117.4 | 83% | 0.83 | 58% | 0.584 | S | S | * | * | trans | -71 | 153 | -179.7 | -64.7 | -179.3 | 179.4 | 178.4 | 0 | 112.3 | W146 T147 | K144-W146 VanDerWaalsContact C-N 3.26Å; K144-W146 PolarHBondContact O-N 3.34Å; K144-T147 PolarHBondContact O-OG1 3.34Å | ||
| 145 | G | 49.4 | Very low | 48.1 | Very low | 48 Ų | 48 | 113.1 Ų | 113.1 | 50% | 0.495 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | -11.1 | -162 | 0 | 0 | 0 | 0 | 0 | 119 | T147 K148 F149 | G145-T147 PolarHBondContact O-N 3.47Å; G145-K148 WeakPolarHBondContact O-CB 3.15Å; G145-K148 PolarHBondContact O-N 3Å; G145-K148 VanDerWaalsContact O-N 3.16Å; G145-F149 PolarHBondContact O-N 3.25Å |
| 146 | W | 49.8 | Very low | 46.8 | Very low | 229 Ų | 229 | 112.4 Ų | 112.4 | 87% | 0.867 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.9 | -39.5 | -177.4 | -160.1 | -98.3 | 0 | 0 | 0 | 112.9 | K144 K148 F149 A150 | K144-W146 VanDerWaalsContact C-N 3.26Å; K144-W146 PolarHBondContact O-N 3.34Å; W146-K148 VanDerWaalsContact C-N 3.32Å; W146-K148 PolarHBondContact O-N 2.9Å; W146-F149 PolarHBondContact O-N 2.66Å; W146-A150 WeakPolarHBondContact O-CB 3.45Å; W146-A150 PolarHBondContact O-N 2.96Å |
| 147 | T | 55.8 | Low | 46.3 | Very low | 71 Ų | 71 | 110.6 Ų | 110.6 | 44% | 0.436 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.2 | -29.5 | 172.9 | 42.9 | 0 | 0 | 0 | 0 | 112.6 | K144 G145 R151 | K144-T147 PolarHBondContact O-OG1 3.34Å; G145-T147 PolarHBondContact O-N 3.47Å; T147-R151 WeakPolarHBondContact O-CB 3.26Å; T147-R151 WeakPolarHBondContact O-CG 3.4Å; T147-R151 PolarHBondContact O-N 3.11Å |
| 148 | K | 48.7 | Very low | 46.3 | Very low | 82 Ų | 82 | 111.9 Ų | 111.9 | 36% | 0.357 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.6 | -47 | 174.9 | -60.8 | 178.7 | 178.3 | 173.9 | 0 | 109.8 | I138 T143 G145 W146 R151 L152 | I138-K148 HydrophobicContact CD1-CD 4.01Å; I138-K148 HydrophobicContact CG1-CD 4.48Å; T143-K148 WeakPolarHBondContact O-CE 3.02Å; T143-K148 PolarHBondContact O-NZ 3.3Å; G145-K148 WeakPolarHBondContact O-CB 3.15Å; G145-K148 PolarHBondContact O-N 3Å; G145-K148 VanDerWaalsContact O-N 3.16Å; W146-K148 VanDerWaalsContact C-N 3.32Å; W146-K148 PolarHBondContact O-N 2.9Å; K148-R151 PolarHBondContact O-N 2.95Å; K148-L152 PolarHBondContact O-N 3.27Å |
| 149 | F | 48.3 | Very low | 46.4 | Very low | 141 Ų | 141 | 108.9 Ų | 108.9 | 62% | 0.618 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.8 | -46.7 | 173.8 | -143.8 | -87.4 | 0 | 0 | 0 | 111.9 | G145 W146 R151 L152 T153 | G145-F149 PolarHBondContact O-N 3.25Å; W146-F149 PolarHBondContact O-N 2.66Å; F149-R151 VanDerWaalsContact C-N 3.31Å; F149-R151 PolarHBondContact O-N 3.03Å; F149-L152 WeakPolarHBondContact O-CB 3.36Å; F149-L152 PolarHBondContact O-N 2.98Å; F149-T153 PolarHBondContact O-N 2.8Å; F149-T153 PolarHBondContact O-OG1 3.2Å; F149-T153 VanDerWaalsContact O-OG1 3.08Å |
| 150 | A | 52.9 | Low | 46.4 | Very low | 42 Ų | 42 | 109.5 Ų | 109.5 | 35% | 0.347 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -32 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | W146 R154 | W146-A150 WeakPolarHBondContact O-CB 3.45Å; W146-A150 PolarHBondContact O-N 2.96Å; A150-R154 VanDerWaalsContact O-CB 3.25Å; A150-R154 WeakPolarHBondContact O-CB 3.46Å; A150-R154 PolarHBondContact O-N 3.41Å; A150-R154 VanDerWaalsContact O-N 3.08Å |
| 151 | R | 51.5 | Low | 46.7 | Very low | 164 Ų | 164 | 108.3 Ų | 108.3 | 62% | 0.619 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.6 | -40.5 | 170.6 | -78 | 173.2 | 65.9 | 166.5 | -4.2 | 111.8 | T147 K148 F149 R154 A155 | T147-R151 WeakPolarHBondContact O-CB 3.26Å; T147-R151 WeakPolarHBondContact O-CG 3.4Å; T147-R151 PolarHBondContact O-N 3.11Å; K148-R151 PolarHBondContact O-N 2.95Å; F149-R151 VanDerWaalsContact C-N 3.31Å; F149-R151 PolarHBondContact O-N 3.03Å; R151-R154 PolarHBondContact O-N 3.34Å; R151-A155 PolarHBondContact O-N 2.9Å |
| 152 | L | 46 | Very low | 46.5 | Very low | 76 Ų | 76 | 102.3 Ų | 102.3 | 40% | 0.398 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 175.8 | -161 | 83.9 | 0 | 0 | 0 | 111.6 | K148 F149 R154 A155 L156 | K148-L152 PolarHBondContact O-N 3.27Å; F149-L152 WeakPolarHBondContact O-CB 3.36Å; F149-L152 PolarHBondContact O-N 2.98Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.11Å; L152-A155 WeakPolarHBondContact O-CB 3.45Å; L152-A155 PolarHBondContact O-N 3.23Å; L152-A155 VanDerWaalsContact O-N 3.16Å; L152-L156 HydrophobicContact CD2-CD1 4.49Å; L152-L156 HydrophobicContact CG-CD1 4.33Å; L152-L156 WeakPolarHBondContact O-CG 3.33Å; L152-L156 PolarHBondContact O-N 3.35Å |
| 153 | T | 44.5 | Very low | 45.9 | Very low | 66 Ų | 66 | 104.6 Ų | 104.6 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.1 | -49.4 | 0 | 0 | 0 | 0 | 111.2 | F149 A155 L156 T157 | F149-T153 PolarHBondContact O-N 2.8Å; F149-T153 PolarHBondContact O-OG1 3.2Å; F149-T153 VanDerWaalsContact O-OG1 3.08Å; T153-A155 VanDerWaalsContact C-N 3.29Å; T153-A155 PolarHBondContact O-N 3.48Å; T153-L156 PolarHBondContact O-N 2.86Å; T153-T157 WeakPolarHBondContact O-CG2 3.47Å; T153-T157 PolarHBondContact O-N 2.91Å; T153-T157 PolarHBondContact O-OG1 2.83Å |
| 154 | R | 49.9 | Very low | 45.7 | Very low | 176 Ų | 176 | 109.3 Ų | 109.3 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.8 | -26.8 | 177.1 | -170.8 | 173.2 | -73.1 | 129.5 | -5 | 113.2 | A150 R151 L152 T157 | A150-R154 VanDerWaalsContact O-CB 3.25Å; A150-R154 WeakPolarHBondContact O-CB 3.46Å; A150-R154 PolarHBondContact O-N 3.41Å; A150-R154 VanDerWaalsContact O-N 3.08Å; R151-R154 PolarHBondContact O-N 3.34Å; L152-R154 VanDerWaalsContact C-N 3.33Å; L152-R154 PolarHBondContact O-N 3.11Å; R154-T157 WeakPolarHBondContact CA-OG1 3.41Å; R154-T157 PolarHBondContact O-OG1 3.11Å |
| 155 | A | 45.3 | Very low | 45 | Very low | 20 Ų | 20 | 108.8 Ų | 108.8 | 17% | 0.165 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -69.7 | -48.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L133 R151 L152 T153 T157 N158 | L133-A155 HydrophobicContact CB-CB 4.42Å; L133-A155 HydrophobicContact CD1-CB 3.67Å; R151-A155 PolarHBondContact O-N 2.9Å; L152-A155 WeakPolarHBondContact O-CB 3.45Å; L152-A155 PolarHBondContact O-N 3.23Å; L152-A155 VanDerWaalsContact O-N 3.16Å; T153-A155 VanDerWaalsContact C-N 3.29Å; T153-A155 PolarHBondContact O-N 3.48Å; A155-T157 VanDerWaalsContact C-N 3.3Å; A155-T157 PolarHBondContact O-N 3.44Å; A155-N158 PolarHBondContact O-N 2.77Å; A155-N158 VanDerWaalsContact O-N 3.11Å |
| 156 | L | 40.8 | Very low | 44.2 | Very low | 62 Ų | 62 | 112.4 Ų | 112.4 | 33% | 0.325 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -31 | 178.9 | -72.6 | 162.9 | 0 | 0 | 0 | 113.3 | F134 L152 T153 N158 S159 | F134-L156 HydrophobicContact CE1-CD2 4.46Å; F134-L156 HydrophobicContact CZ-CD2 4.28Å; L152-L156 HydrophobicContact CD2-CD1 4.49Å; L152-L156 HydrophobicContact CG-CD1 4.33Å; L152-L156 WeakPolarHBondContact O-CG 3.33Å; L152-L156 PolarHBondContact O-N 3.35Å; T153-L156 PolarHBondContact O-N 2.86Å; L156-N158 PolarHBondContact O-N 2.82Å; L156-S159 PolarHBondContact O-N 2.75Å; L156-S159 PolarHBondContact O-OG 3.37Å |
| 157 | T | 45.3 | Very low | 43.2 | Very low | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.5 | 175.2 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | T153 R154 A155 | T153-T157 WeakPolarHBondContact O-CG2 3.47Å; T153-T157 PolarHBondContact O-N 2.91Å; T153-T157 PolarHBondContact O-OG1 2.83Å; R154-T157 WeakPolarHBondContact CA-OG1 3.41Å; R154-T157 PolarHBondContact O-OG1 3.11Å; A155-T157 VanDerWaalsContact C-N 3.3Å; A155-T157 PolarHBondContact O-N 3.44Å |
| 158 | N | 42.3 | Very low | 42 | Very low | 145 Ų | 145 | 110.7 Ų | 110.7 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -27 | 173.2 | -78.2 | 0.1 | 0 | 0 | 0 | 112.2 | A155 L156 R160 | A155-N158 PolarHBondContact O-N 2.77Å; A155-N158 VanDerWaalsContact O-N 3.11Å; L156-N158 PolarHBondContact O-N 2.82Å; N158-R160 PolarHBondContact O-N 3.16Å; N158-R160 VanDerWaalsContact O-N 3.14Å |
| 159 | S | 43.2 | Very low | 40.9 | Very low | 43 Ų | 43 | 115.7 Ų | 115.7 | 30% | 0.301 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -86.2 | 61.2 | 170 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | L156 S161 V162 | L156-S159 PolarHBondContact O-N 2.75Å; L156-S159 PolarHBondContact O-OG 3.37Å; S159-S161 PolarHBondContact O-N 3.28Å; S159-S161 VanDerWaalsContact O-N 3.11Å; S159-V162 PolarHBondContact O-N 3.15Å; S159-V162 VanDerWaalsContact O-N 3.11Å |
| 160 | R | 41.1 | Very low | 40 | Very low | 210 Ų | 210 | 116.2 Ų | 116.2 | 79% | 0.792 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -62.1 | -24.9 | -164.2 | -149.8 | 176.1 | -170.9 | -174.9 | 1.8 | 114.1 | N158 | N158-R160 PolarHBondContact O-N 3.16Å; N158-R160 VanDerWaalsContact O-N 3.14Å |
| 161 | S | 42.4 | Very low | 38.8 | Very low | 82 Ų | 82 | 123.4 Ų | 123.4 | 57% | 0.573 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -72.1 | -19.6 | 178.2 | 32.5 | 0 | 0 | 0 | 0 | 114.8 | E25 S159 | E25-S161 PolarHBondContact OE2-OG 3.44Å; S159-S161 PolarHBondContact O-N 3.28Å; S159-S161 VanDerWaalsContact O-N 3.11Å |
| 162 | V | 39.5 | Very low | 38 | Very low | 53 Ų | 53 | 122 Ų | 122 | 32% | 0.321 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -85.2 | -20.5 | -177 | -179 | 0 | 0 | 0 | 0 | 113.1 | S159 Q164 V184 | S159-V162 PolarHBondContact O-N 3.15Å; S159-V162 VanDerWaalsContact O-N 3.11Å; V162-Q164 VanDerWaalsContact C-N 3.29Å; V162-Q164 PolarHBondContact O-N 3.21Å; V162-V184 HydrophobicContact CB-CG1 4.39Å; V162-V184 HydrophobicContact CG1-CG1 3.75Å; V162-V184 HydrophobicContact CG2-CG1 3.71Å |
| 163 | L | 33.7 | Very low | 36.9 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -74 | -15 | -167.8 | -150.7 | 78.8 | 0 | 0 | 0 | 114.4 | ||
| 164 | Q | 38 | Very low | 36.6 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 89% | 0.893 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -91.2 | 2.9 | -166.1 | -156.7 | 165 | 2.6 | 0 | 0 | 114.6 | V162 | V162-Q164 VanDerWaalsContact C-N 3.29Å; V162-Q164 PolarHBondContact O-N 3.21Å |
| 165 | Q | 36.8 | Very low | 35.6 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 84% | 0.841 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -123.4 | 8.1 | -171.2 | -134.6 | 174 | -1.9 | 0 | 0 | 115 | ||
| 166 | L | 33.6 | Very low | 34.8 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 65% | 0.654 | 71% | 0.709 | S | S | * | * | trans | -127.2 | 91.6 | -177.7 | -71.2 | 173.3 | 0 | 0 | 0 | 112.3 | ||||
| 167 | T | 27.5 | Very low | 34.5 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | -70.4 | 137.3 | 160.8 | 41.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 168 | P | 31.3 | Very low | 34.1 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | -82.4 | 127.7 | 178.3 | 31.7 | -32.6 | 0 | 0 | 0 | 111 | ||||
| 169 | M | 24.7 | Very low | 33.9 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 92% | 0.916 | 74% | 0.737 | S | S | * | * | trans | -137.3 | 164.3 | 165.8 | -130.4 | 174 | 72.8 | 0 | 0 | 111.9 | ||||
| 170 | N | 29.1 | Very low | 33.8 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -89.4 | 154 | -148.1 | -88.4 | -50.9 | 0 | 0 | 0 | 116.6 | ||||
| 171 | K | 27.8 | Very low | 33.9 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | 72.6 | 133.3 | 158.9 | -73.7 | 178.9 | 176.7 | -179 | 0 | 119.4 | ||||
| 172 | T | 35.1 | Very low | 33.8 | Very low | 133 Ų | 133 | 142 Ų | 142 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | -7.6 | 119 | 155.6 | 48.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 173 | E | 23.3 | Very low | 33.8 | Very low | 197 Ų | 197 | 145.7 Ų | 145.7 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | -151.9 | 166.3 | 121.1 | -128.5 | 168.7 | -155.4 | 0 | 0 | 111 | |||||
| 174 | V | 38.5 | Very low | 34.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | -107.6 | 106.8 | -173.6 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 175 | V | 27.6 | Very low | 34.7 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -165 | 154.6 | 159.7 | 123.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 176 | H | 30.3 | Very low | 35.2 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | trans | 38 | 83.7 | 170.8 | -62.9 | -42.7 | 0 | 0 | 0 | 120.3 | H178 | H176-H178 VanDerWaalsContact C-N 3.3Å; H176-H178 PolarHBondContact O-N 2.82Å | ||
| 177 | K | 34.2 | Very low | 35.8 | Very low | 209 Ų | 209 | 129.1 Ų | 129.1 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -14.4 | 166.2 | -81 | -176.5 | 174.6 | 177.3 | 0 | 115.9 | ||
| 178 | H | 35.1 | Very low | 36.7 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 74% | 0.736 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -21.7 | -173 | -98.8 | -80.9 | 0 | 0 | 0 | 115.3 | H176 | H176-H178 VanDerWaalsContact C-N 3.3Å; H176-H178 PolarHBondContact O-N 2.82Å |
| 179 | S | 39.6 | Very low | 37.1 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 51% | 0.51 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -70.9 | -56.6 | -169.3 | -158.9 | 0 | 0 | 0 | 0 | 113.4 | L181 A182 E183 | S179-L181 PolarHBondContact O-N 3.36Å; S179-L181 VanDerWaalsContact O-N 3.15Å; S179-A182 PolarHBondContact O-N 3.47Å; S179-E183 PolarHBondContact O-N 3.32Å |
| 180 | R | 39.5 | Very low | 38 | Very low | 190 Ų | 190 | 121 Ų | 121 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.3 | -24.1 | -168.9 | -64 | -174.8 | -176.9 | -179.9 | 1.3 | 114.4 | V184 | R180-V184 WeakPolarHBondContact O-CB 3.21Å; R180-V184 VanDerWaalsContact O-CG2 3.28Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 3.02Å |
| 181 | L | 44.7 | Very low | 39.2 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -79.8 | -34 | 175 | -113.3 | 167 | 0 | 0 | 0 | 111.7 | S179 L185 | S179-L181 PolarHBondContact O-N 3.36Å; S179-L181 VanDerWaalsContact O-N 3.15Å; L181-L185 HydrophobicContact CD2-CD1 3.52Å; L181-L185 HydrophobicContact CD2-CG 3.92Å; L181-L185 WeakPolarHBondContact O-CB 3.21Å; L181-L185 WeakPolarHBondContact O-CD1 3.39Å; L181-L185 WeakPolarHBondContact O-CG 3.43Å; L181-L185 PolarHBondContact O-N 3.14Å |
| 182 | A | 40.3 | Very low | 40.9 | Very low | 43 Ų | 43 | 114 Ų | 114 | 36% | 0.355 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.7 | -45.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S179 V184 L185 Q186 | S179-A182 PolarHBondContact O-N 3.47Å; A182-V184 VanDerWaalsContact C-N 3.32Å; A182-V184 PolarHBondContact O-N 3.23Å; A182-L185 CarbonylContact O-C 3.57Å; A182-L185 PolarHBondContact O-N 3.5Å; A182-L185 VanDerWaalsContact O-N 3.07Å; A182-Q186 WeakPolarHBondContact O-CG 3.43Å; A182-Q186 PolarHBondContact O-N 3.4Å |
| 183 | E | 39.2 | Very low | 42.4 | Very low | 130 Ų | 130 | 108.8 Ų | 108.8 | 61% | 0.607 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -58.9 | -37.7 | 178.9 | -168.7 | 172.1 | -159.4 | 0 | 0 | 113 | S179 | S179-E183 PolarHBondContact O-N 3.32Å |
| 184 | V | 43.1 | Very low | 44.6 | Very low | 69 Ų | 69 | 102.7 Ų | 102.7 | 42% | 0.418 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -85.6 | -16.1 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 113.1 | V162 R180 A182 | V162-V184 HydrophobicContact CB-CG1 4.39Å; V162-V184 HydrophobicContact CG1-CG1 3.75Å; V162-V184 HydrophobicContact CG2-CG1 3.71Å; R180-V184 WeakPolarHBondContact O-CB 3.21Å; R180-V184 VanDerWaalsContact O-CG2 3.28Å; R180-V184 WeakPolarHBondContact O-CG2 3.37Å; R180-V184 PolarHBondContact O-N 3.02Å; A182-V184 VanDerWaalsContact C-N 3.32Å; A182-V184 PolarHBondContact O-N 3.23Å |
| 185 | L | 46.4 | Very low | 46.3 | Very low | 19 Ų | 19 | 100.8 Ų | 100.8 | 10% | 0.099 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -100.7 | -16.6 | 179.3 | -68.8 | -179.2 | 0 | 0 | 0 | 114.5 | Y108 K129 L181 A182 L187 | Y108-L185 HydrophobicContact CD1-CD1 3.91Å; Y108-L185 HydrophobicContact CD2-CD1 3.68Å; Y108-L185 HydrophobicContact CE1-CB 3.82Å; Y108-L185 HydrophobicContact CE1-CD1 3.83Å; Y108-L185 HydrophobicContact CE1-CG 4.39Å; Y108-L185 HydrophobicContact CE2-CD1 3.61Å; Y108-L185 HydrophobicContact CG-CD1 3.81Å; K129-L185 HydrophobicContact CD-CD2 3.47Å; K129-L185 VanDerWaalsContact CD-CD2 3.47Å; L181-L185 HydrophobicContact CD2-CD1 3.52Å; L181-L185 HydrophobicContact CD2-CG 3.92Å; L181-L185 WeakPolarHBondContact O-CB 3.21Å; L181-L185 WeakPolarHBondContact O-CD1 3.39Å; L181-L185 WeakPolarHBondContact O-CG 3.43Å; L181-L185 PolarHBondContact O-N 3.14Å; A182-L185 CarbonylContact O-C 3.57Å; A182-L185 PolarHBondContact O-N 3.5Å; A182-L185 VanDerWaalsContact O-N 3.07Å; L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 PolarHBondContact O-N 2.9Å |
| 186 | Q | 47.4 | Very low | 48.5 | Very low | 123 Ų | 123 | 97.9 Ų | 97.9 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | trans | -62.3 | 88.1 | 167 | -82.2 | 177.4 | -42.3 | 0 | 0 | 110 | A182 G188 | A182-Q186 WeakPolarHBondContact O-CG 3.43Å; A182-Q186 PolarHBondContact O-N 3.4Å; Q186-G188 PolarHBondContact O-N 2.92Å; Q186-G188 VanDerWaalsContact O-N 3.11Å | ||
| 187 | L | 47 | Very low | 50.3 | Low | 67 Ų | 67 | 96.8 Ų | 96.8 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | trans | -55.3 | 117.6 | 157.8 | -156.9 | 80.7 | 0 | 0 | 0 | 106.2 | L185 | L185-L187 VanDerWaalsContact C-N 3.27Å; L185-L187 PolarHBondContact O-N 2.9Å | ||
| 188 | G | 45.5 | Very low | 51.8 | Low | 42 Ų | 42 | 89.7 Ų | 89.7 | 43% | 0.433 | 47% | 0.465 | S | S | . | . | trans | -52.2 | 141.6 | -148.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q186 D190 | Q186-G188 PolarHBondContact O-N 2.92Å; Q186-G188 VanDerWaalsContact O-N 3.11Å; G188-D190 PolarHBondContact O-N 3.01Å | ||
| 189 | S | 39.7 | Very low | 53.2 | Low | 109 Ų | 109 | 85.2 Ų | 85.2 | 76% | 0.762 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -61.9 | -4 | 168 | 46.6 | 0 | 0 | 0 | 0 | 113.8 | I191 | S189-I191 PolarHBondContact O-N 3.4Š|
| 190 | D | 44.7 | Very low | 54.5 | Low | 129 Ų | 129 | 85.1 Ų | 85.1 | 69% | 0.69 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -67.3 | 74 | 172 | -65.6 | -28.3 | 0 | 0 | 0 | 111.8 | R22 G188 | R22-D190 PolarHBondContact NH1-O 2.82Å; G188-D190 PolarHBondContact O-N 3.01Å |
| 191 | I | 55.1 | Low | 55.9 | Low | 133 Ų | 133 | 83.3 Ų | 83.3 | 68% | 0.682 | 45% | 0.451 | S | S | * | . | trans | 57.5 | 90 | 163.5 | -47.2 | 171.4 | 0 | 0 | 0 | 111.6 | R22 S189 | R22-I191 PolarHBondContact NH1-O 3.14Å; R22-I191 PolarHBondContact NH2-O 2.91Å; S189-I191 PolarHBondContact O-N 3.4Å | ||
| 192 | L | 63 | Low | 57.5 | Low | 65 Ų | 65 | 81.3 Ų | 81.3 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 132.3 | 159 | -83.8 | 96.2 | 0 | 0 | 0 | 108.2 | A112 I114 L125 Q194 | A112-L192 HydrophobicContact CB-CD1 4.38Å; A112-L192 HydrophobicContact CB-CD2 3.64Å; I114-L192 HydrophobicContact CG1-CD2 4.24Å; L125-L192 HydrophobicContact CD2-CD2 4.15Å; L192-Q194 PolarHBondContact O-N 3.19Å |
| 193 | P | 65.9 | Low | 59.4 | Low | 24 Ų | 24 | 81.7 Ų | 81.7 | 16% | 0.156 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 125.1 | 177.8 | 25.8 | -32.7 | 0 | 0 | 0 | 109 | F15 N18 I19 | F15-P193 HydrophobicContact CD2-CB 4.09Å; F15-P193 HydrophobicContact CD2-CG 3.93Å; F15-P193 WeakPolarHBondContact CD2-O 3.38Å; F15-P193 HydrophobicContact CE2-CG 4.13Å; F15-P193 VanDerWaalsContact CE2-O 3.3Å; F15-P193 WeakPolarHBondContact CE2-O 3.36Å; N18-P193 HydrophobicContact CB-CG 4.43Å; I19-P193 HydrophobicContact CD1-CG 4.4Å; I19-P193 HydrophobicContact CG1-CG 3.86Å |
| 194 | Q | 70.6 | Confident | 61.2 | Low | 69 Ų | 69 | 80.6 Ų | 80.6 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 147.3 | 169.3 | -70.2 | -173.2 | -17.1 | 0 | 0 | 109.3 | R115 E119 L192 K196 | R115-Q194 CarbonylContact O-C 3.57Å; R115-Q194 VanDerWaalsContact O-CA 3.29Å; R115-Q194 WeakPolarHBondContact O-CA 3.4Å; R115-Q194 WeakPolarHBondContact O-CB 3.26Å; E119-Q194 PolarHBondContact OE1-NE2 2.95Å; L192-Q194 PolarHBondContact O-N 3.19Å; Q194-K196 VanDerWaalsContact C-N 3.29Å; Q194-K196 HydrophobicContact CB-CB 4.33Å; Q194-K196 PolarHBondContact O-N 3.21Å |
| 195 | Y | 73.5 | Confident | 63.1 | Low | 101 Ų | 101 | 85.2 Ų | 85.2 | 40% | 0.396 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -77.5 | 84.6 | 173.2 | -174.8 | -95.7 | 0 | 0 | 0 | 108.6 | N13 F15 R115 N116 V122 L123 | N13-Y195 WeakPolarHBondContact ND2-CE2 3.42Å; F15-Y195 HydrophobicContact CB-CD2 4.46Å; F15-Y195 AromaticContact CD1-CD2 3.82Å; F15-Y195 HydrophobicContact CD1-CD2 3.82Å; F15-Y195 HydrophobicContact CD1-CE2 4.33Å; F15-Y195 HydrophobicContact CD2-CD2 4.45Å; F15-Y195 HydrophobicContact CE1-CD2 4.16Å; F15-Y195 AromaticContact CG-CD2 3.99Å; F15-Y195 HydrophobicContact CG-CD2 3.99Å; R115-Y195 PolarHBondContact O-N 3.26Å; N116-Y195 PolarHBondContact OD1-O 3.41Å; V122-Y195 HydrophobicContact CG2-CD1 4.33Å; V122-Y195 HydrophobicContact CG2-CG 4.3Å; L123-Y195 HydrophobicContact CD1-CD2 3.58Å; L123-Y195 HydrophobicContact CD1-CE2 4Å; L123-Y195 HydrophobicContact CD1-CG 4.08Å |
| 196 | K | 73.3 | Confident | 65.2 | Low | 60 Ų | 60 | 85.3 Ų | 85.3 | 26% | 0.261 | 46% | 0.462 | S | S | . | . | trans | -138 | 144 | -168.4 | 178.7 | 169.6 | 175.3 | 101 | 0 | 111.3 | N13 E117 Q194 E198 | N13-K196 PolarHBondContact OD1-O 2.87Å; E117-K196 HydrophobicContact CB-CD 4.06Å; E117-K196 HydrophobicContact CB-CG 4.31Å; E117-K196 HydrophobicContact CG-CB 4.16Å; E117-K196 HydrophobicContact CG-CD 4.1Å; E117-K196 HydrophobicContact CG-CG 3.79Å; E117-K196 WeakPolarHBondContact OE1-CG 3.32Å; E117-K196 IonicContact OE2-NZ 3.55Å; E117-K196 PolarHBondContact OE2-NZ 3.22Å; Q194-K196 VanDerWaalsContact C-N 3.29Å; Q194-K196 HydrophobicContact CB-CB 4.33Å; Q194-K196 PolarHBondContact O-N 3.21Å; K196-E198 HydrophobicContact CB-CG 3.98Å; K196-E198 HydrophobicContact CD-CG 3.6Å; K196-E198 HydrophobicContact CG-CG 3.49Å; K196-E198 VanDerWaalsContact CG-CG 3.49Å; K196-E198 PolarHBondContact O-N 3.46Å; K196-E198 VanDerWaalsContact O-N 3.15Å | ||
| 197 | Q | 68.1 | Low | 67.3 | Low | 131 Ų | 131 | 81.3 Ų | 81.3 | 61% | 0.612 | 44% | 0.444 | S | S | * | . | trans | -84.3 | 79.4 | 170.3 | -66.7 | -170.1 | 22 | 0 | 0 | 110.1 | N13 | N13-Q197 HydrophobicContact CB-CG 4.35Š| ||
| 198 | E | 65.6 | Low | 69.3 | Low | 60 Ų | 60 | 80.3 Ų | 80.3 | 28% | 0.28 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 149.2 | 178 | -58.6 | -166 | 121.7 | 0 | 0 | 111.9 | P11 Q12 K196 K201 | P11-E198 WeakPolarHBondContact CA-O 3.39Å; Q12-E198 PolarHBondContact N-O 3.42Å; Q12-E198 VanDerWaalsContact N-O 3.07Å; K196-E198 HydrophobicContact CB-CG 3.98Å; K196-E198 HydrophobicContact CD-CG 3.6Å; K196-E198 HydrophobicContact CG-CG 3.49Å; K196-E198 VanDerWaalsContact CG-CG 3.49Å; K196-E198 PolarHBondContact O-N 3.46Å; K196-E198 VanDerWaalsContact O-N 3.15Å; E198-K201 VanDerWaalsContact CD-CE 3.47Å; E198-K201 VanDerWaalsContact OE1-CE 3.23Å; E198-K201 WeakPolarHBondContact OE1-CE 3.42Å; E198-K201 IonicContact OE1-NZ 2.85Å; E198-K201 PolarHBondContact OE1-NZ 3.08Å; E198-K201 WeakPolarHBondContact OE2-CE 3.27Å; E198-K201 IonicContact OE2-NZ 2.68Å; E198-K201 PolarHBondContact OE2-NZ 2.66Å |
| 199 | A | 66.1 | Low | 71.2 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | trans | -62.5 | 142.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | K201 | A199-K201 PolarHBondContact O-N 3.31Š| ||
| 200 | P | 66.9 | Low | 73.3 | Confident | 71 Ų | 71 | 78.5 Ų | 78.5 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | trans | -59.2 | 115.1 | -175.1 | 22.2 | -32.9 | 0 | 0 | 0 | 111.1 | V9 T202 | V9-P200 HydrophobicContact CG1-CG 3.84Å; P200-T202 PolarHBondContact O-N 3.15Å | ||
| 201 | K | 68 | Low | 75.3 | Confident | 152 Ų | 152 | 74.7 Ų | 74.7 | 66% | 0.661 | 39% | 0.387 | S | S | * | . | trans | -65.8 | 102.5 | -177.2 | -78.2 | 173.8 | 170.1 | 156.7 | 0 | 111 | E198 A199 | E198-K201 VanDerWaalsContact CD-CE 3.47Å; E198-K201 VanDerWaalsContact OE1-CE 3.23Å; E198-K201 WeakPolarHBondContact OE1-CE 3.42Å; E198-K201 IonicContact OE1-NZ 2.85Å; E198-K201 PolarHBondContact OE1-NZ 3.08Å; E198-K201 WeakPolarHBondContact OE2-CE 3.27Å; E198-K201 IonicContact OE2-NZ 2.68Å; E198-K201 PolarHBondContact OE2-NZ 2.66Å; A199-K201 PolarHBondContact O-N 3.31Å | ||
| 202 | T | 77.4 | Confident | 76.9 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 27% | 0.27 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 145.1 | 161.7 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | P200 L208 T269 | P200-T202 PolarHBondContact O-N 3.15Å; T202-L208 HydrophobicContact CG2-CD2 3.73Å; T202-L208 HydrophobicContact CG2-CG 4.3Å; T202-T269 HydrophobicContact CG2-CG2 4.15Å |
| 203 | P | 80.7 | Confident | 78.2 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 33% | 0.331 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 158.2 | 173.2 | 30.7 | -36.1 | 0 | 0 | 0 | 110.6 | I206 | P203-I206 HydrophobicContact CG-CB 4.45Å; P203-I206 HydrophobicContact CG-CD1 3.52Å; P203-I206 HydrophobicContact CG-CG1 4.02Å; P203-I206 PolarHBondContact O-N 2.66Å |
| 204 | P | 76.4 | Confident | 79.3 | Confident | 108 Ų | 108 | 73.3 Ų | 73.3 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 150.8 | 176.3 | 25.9 | -35 | 0 | 0 | 0 | 111.3 | I206 | P204-I206 VanDerWaalsContact C-N 3.29Å; P204-I206 PolarHBondContact O-N 3.46Å |
| 205 | H | 84.7 | Confident | 80.1 | Confident | 165 Ų | 165 | 72.3 Ų | 72.3 | 76% | 0.764 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 18.3 | -174.9 | -40.9 | -79.5 | 0 | 0 | 0 | 115.8 | H267 | H205-H267 PolarHBondContact O-CD2 3.24Å; H205-H267 VanDerWaalsContact O-CD2 3.29Å |
| 206 | I | 90.2 | Very high | 80.9 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 11% | 0.108 | 39% | 0.391 | C | S | . | . | trans | -113 | 134.6 | 166.8 | -63.1 | -168.8 | 0 | 0 | 0 | 110.9 | P203 P204 H267 T269 S279 P281 I284 | P203-I206 HydrophobicContact CG-CB 4.45Å; P203-I206 HydrophobicContact CG-CD1 3.52Å; P203-I206 HydrophobicContact CG-CG1 4.02Å; P203-I206 PolarHBondContact O-N 2.66Å; P204-I206 VanDerWaalsContact C-N 3.29Å; P204-I206 PolarHBondContact O-N 3.46Å; I206-H267 CarbonylContact C-O 3.58Å; I206-H267 WeakPolarHBondContact CA-O 3.23Å; I206-T269 HydrophobicContact CG2-CG2 3.54Å; I206-S279 VanDerWaalsContact CD1-O 3.25Å; I206-S279 WeakPolarHBondContact CD1-O 3.49Å; I206-P281 HydrophobicContact CD1-CB 3.89Å; I206-P281 HydrophobicContact CD1-CG 4.21Å; I206-I284 HydrophobicContact CD1-CD1 4.01Å; I206-I284 HydrophobicContact CG2-CD1 4.3Å | ||
| 207 | I | 90.8 | Very high | 81.8 | Confident | 39 Ų | 39 | 71 Ų | 71 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -103.3 | 133.3 | -177.2 | -59.1 | 172 | 0 | 0 | 0 | 109.3 | C211 F213 K214 L264 H267 T268 T269 | I207-C211 HydrophobicContact CG2-CB 4.5Å; I207-F213 HydrophobicContact CD1-CE1 4.26Å; I207-K214 HydrophobicContact CG2-CB 4.08Å; I207-L264 HydrophobicContact CD1-CD2 3.58Å; I207-H267 PolarHBondContact N-O 2.85Å; I207-T268 CarbonylContact O-C 3.56Å; I207-T268 WeakPolarHBondContact O-CA 3.32Å; I207-T269 PolarHBondContact O-N 3.49Å |
| 208 | L | 88.8 | Confident | 82.8 | Confident | 46 Ų | 46 | 66 Ų | 66 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | trans | -74.5 | 131.2 | 175.3 | -68.8 | 160.9 | 0 | 0 | 0 | 110.5 | T202 Y210 C211 T269 | T202-L208 HydrophobicContact CG2-CD2 3.73Å; T202-L208 HydrophobicContact CG2-CG 4.3Å; L208-Y210 HydrophobicContact CB-CE1 4.33Å; L208-Y210 HydrophobicContact CB-CE2 4.44Å; L208-Y210 HydrophobicContact CD1-CE2 4.23Å; L208-Y210 HydrophobicContact CD2-CE1 4.04Å; L208-Y210 PolarHBondContact O-N 2.91Å; L208-C211 HydrophobicContact CB-CB 4.22Å; L208-C211 WeakPolarHBondContact O-CB 3.03Å; L208-C211 PolarHBondContact O-N 3.4Å; L208-T269 HydrophobicContact CD2-CG2 4.25Å | ||
| 209 | H | 86.3 | Confident | 83.9 | Confident | 39 Ų | 39 | 69 Ų | 69 | 18% | 0.181 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -32.7 | 179.6 | 61.6 | -87.3 | 0 | 0 | 0 | 114.2 | C211 T268 T269 V271 | H209-C211 VanDerWaalsContact C-N 3.34Å; H209-T268 HydrophobicContact CB-CG2 4.03Å; H209-T269 PolarHBondContact N-OG1 3.07Å; H209-T269 PolarHBondContact ND1-OG1 3.39Å; H209-V271 WeakPolarHBondContact NE2-CG2 3.16Å |
| 210 | Y | 84.1 | Confident | 85.1 | Confident | 74 Ų | 74 | 68.9 Ų | 68.9 | 29% | 0.29 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 7 | 176.2 | 63.5 | -101.1 | 0 | 0 | 0 | 114 | R6 V9 L208 | R6-Y210 HydrophobicContact CB-CD1 4.31Å; R6-Y210 HydrophobicContact CG-CG 4.4Å; V9-Y210 HydrophobicContact CG2-CE1 4.21Å; L208-Y210 HydrophobicContact CB-CE1 4.33Å; L208-Y210 HydrophobicContact CB-CE2 4.44Å; L208-Y210 HydrophobicContact CD1-CE2 4.23Å; L208-Y210 HydrophobicContact CD2-CE1 4.04Å; L208-Y210 PolarHBondContact O-N 2.91Å |
| 211 | C | 86.9 | Confident | 86.3 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | trans | -66.5 | 136.2 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | I207 L208 H209 F213 K214 T215 | I207-C211 HydrophobicContact CG2-CB 4.5Å; L208-C211 HydrophobicContact CB-CB 4.22Å; L208-C211 WeakPolarHBondContact O-CB 3.03Å; L208-C211 PolarHBondContact O-N 3.4Å; H209-C211 VanDerWaalsContact C-N 3.34Å; C211-F213 PolarHBondContact O-N 2.78Å; C211-K214 HydrophobicContact CB-CB 4.29Å; C211-K214 WeakPolarHBondContact O-CA 3.28Å; C211-K214 WeakPolarHBondContact O-CB 3.44Å; C211-K214 PolarHBondContact O-N 2.87Å; C211-T215 PolarHBondContact O-N 3.02Å; C211-T215 PolarHBondContact O-OG1 3.02Å | ||
| 212 | A | 86.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 60 Ų | 60 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -53 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K214 T215 T216 | A212-K214 PolarHBondContact O-N 2.85Å; A212-T215 PolarHBondContact O-N 3.22Å; A212-T216 PolarHBondContact O-N 3.32Å; A212-T216 PolarHBondContact O-OG1 3.07Å; A212-T216 VanDerWaalsContact O-OG1 3.11Å |
| 213 | F | 91.4 | Very high | 87.9 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 47% | 0.474 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 172.8 | 169.6 | -100.9 | 0 | 0 | 0 | 112.3 | I207 C211 T216 W217 | I207-F213 HydrophobicContact CD1-CE1 4.26Å; C211-F213 PolarHBondContact O-N 2.78Å; F213-T216 PolarHBondContact O-N 2.87Å; F213-W217 WeakPolarHBondContact O-CB 3.47Å; F213-W217 PolarHBondContact O-N 3.21Å |
| 214 | K | 89.1 | Confident | 88.5 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 179.7 | -174.3 | 54.3 | 169.9 | 68 | 0 | 111.3 | I207 C211 A212 W217 D218 T268 | I207-K214 HydrophobicContact CG2-CB 4.08Å; C211-K214 HydrophobicContact CB-CB 4.29Å; C211-K214 WeakPolarHBondContact O-CA 3.28Å; C211-K214 WeakPolarHBondContact O-CB 3.44Å; C211-K214 PolarHBondContact O-N 2.87Å; A212-K214 PolarHBondContact O-N 2.85Å; K214-W217 PolarHBondContact O-N 3.22Å; K214-D218 IonicContact NZ-OD1 3.3Å; K214-D218 PolarHBondContact NZ-OD1 3.36Å; K214-D218 IonicContact NZ-OD2 2.73Å; K214-D218 PolarHBondContact NZ-OD2 2.96Å; K214-D218 WeakPolarHBondContact O-CB 3.41Å; K214-D218 PolarHBondContact O-N 3.19Å; K214-T268 HydrophobicContact CD-CG2 4.43Å; K214-T268 WeakPolarHBondContact CE-OG1 3.34Å; K214-T268 HydrophobicContact CG-CG2 4.27Å |
| 215 | T | 87.4 | Confident | 89.2 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 173.6 | -49.7 | 0 | 0 | 0 | 0 | 112 | C211 A212 D218 W219 | C211-T215 PolarHBondContact O-N 3.02Å; C211-T215 PolarHBondContact O-OG1 3.02Å; A212-T215 PolarHBondContact O-N 3.22Å; T215-D218 WeakPolarHBondContact O-CB 3.49Å; T215-D218 PolarHBondContact O-N 2.93Å; T215-W219 PolarHBondContact O-N 2.69Å; T215-W219 VanDerWaalsContact O-N 3.16Å |
| 216 | T | 89.8 | Confident | 89.5 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | A212 F213 D218 W219 V220 | A212-T216 PolarHBondContact O-N 3.32Å; A212-T216 PolarHBondContact O-OG1 3.07Å; A212-T216 VanDerWaalsContact O-OG1 3.11Å; F213-T216 PolarHBondContact O-N 2.87Å; T216-D218 PolarHBondContact O-N 2.66Å; T216-W219 PolarHBondContact O-N 2.97Å; T216-V220 PolarHBondContact O-N 3.12Å |
| 217 | W | 92.4 | Very high | 89.7 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 17% | 0.167 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.8 | -41.1 | 172.2 | -178.9 | -92.7 | 0 | 0 | 0 | 111.5 | F213 K214 W219 V220 I221 I257 V260 D261 L264 | F213-W217 WeakPolarHBondContact O-CB 3.47Å; F213-W217 PolarHBondContact O-N 3.21Å; K214-W217 PolarHBondContact O-N 3.22Å; W217-W219 VanDerWaalsContact C-N 3.27Å; W217-W219 PolarHBondContact O-N 3.41Å; W217-V220 PolarHBondContact O-N 3.03Å; W217-V220 VanDerWaalsContact O-N 3.13Å; W217-I221 HydrophobicContact CG-CG1 4.48Å; W217-I221 HydrophobicContact CZ2-CD1 3.99Å; W217-I221 HydrophobicContact CZ2-CG1 4.41Å; W217-I221 WeakPolarHBondContact O-CG1 3.34Å; W217-I221 PolarHBondContact O-N 3.35Å; W217-I257 HydrophobicContact CH2-CG2 3.84Å; W217-I257 HydrophobicContact CZ2-CG2 4.08Å; W217-V260 HydrophobicContact CH2-CB 4.21Å; W217-V260 HydrophobicContact CH2-CG1 3.69Å; W217-V260 HydrophobicContact CZ2-CB 4.31Å; W217-V260 HydrophobicContact CZ2-CG1 3.89Å; W217-D261 HydrophobicContact CZ2-CB 4.24Å; W217-D261 PolarHBondContact NE1-OD1 2.84Å; W217-L264 HydrophobicContact CD2-CD1 3.84Å; W217-L264 VanDerWaalsContact CE2-CD1 3.42Å; W217-L264 HydrophobicContact CE3-CD1 4.37Å; W217-L264 HydrophobicContact CG-CD1 4.32Å; W217-L264 HydrophobicContact CH2-CD1 4.19Å; W217-L264 HydrophobicContact CZ2-CD1 3.63Å |
| 218 | D | 88.8 | Confident | 89.7 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -26.8 | 179.9 | -80.7 | -29.9 | 0 | 0 | 0 | 114.2 | K214 T215 T216 L222 K337 | K214-D218 IonicContact NZ-OD1 3.3Å; K214-D218 PolarHBondContact NZ-OD1 3.36Å; K214-D218 IonicContact NZ-OD2 2.73Å; K214-D218 PolarHBondContact NZ-OD2 2.96Å; K214-D218 WeakPolarHBondContact O-CB 3.41Å; K214-D218 PolarHBondContact O-N 3.19Å; T215-D218 WeakPolarHBondContact O-CB 3.49Å; T215-D218 PolarHBondContact O-N 2.93Å; T216-D218 PolarHBondContact O-N 2.66Å; D218-L222 PolarHBondContact O-N 3.24Å; D218-K337 VanDerWaalsContact CA-NZ 3.31Å; D218-K337 HydrophobicContact CB-CD 4.38Å; D218-K337 PolarHBondContact O-NZ 2.76Å; D218-K337 WeakPolarHBondContact OD1-CE 3.43Å; D218-K337 IonicContact OD1-NZ 3.73Å; D218-K337 PolarHBondContact OD1-NZ 3.4Å |
| 219 | W | 88.7 | Confident | 89.9 | Confident | 123 Ų | 123 | 51 Ų | 51 | 47% | 0.466 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -76.9 | -40.5 | 168.4 | -79.2 | 105.9 | 0 | 0 | 0 | 112.8 | T215 T216 W217 I221 L222 I223 Y341 | T215-W219 PolarHBondContact O-N 2.69Å; T215-W219 VanDerWaalsContact O-N 3.16Å; T216-W219 PolarHBondContact O-N 2.97Å; W217-W219 VanDerWaalsContact C-N 3.27Å; W217-W219 PolarHBondContact O-N 3.41Å; W219-I221 VanDerWaalsContact C-N 3.32Å; W219-I221 PolarHBondContact O-N 3.04Å; W219-L222 HydrophobicContact CE3-CD2 3.75Å; W219-L222 HydrophobicContact CZ3-CD2 3.67Å; W219-L222 WeakPolarHBondContact O-CB 3.47Å; W219-L222 PolarHBondContact O-N 3.44Å; W219-L222 VanDerWaalsContact O-N 3.15Å; W219-I223 WeakPolarHBondContact O-CG1 3.25Å; W219-I223 PolarHBondContact O-N 3.01Å; W219-Y341 HydrophobicContact CH2-CD1 4.23Å; W219-Y341 AromaticContact CH2-CE1 3.69Å; W219-Y341 HydrophobicContact CH2-CE1 3.69Å; W219-Y341 HydrophobicContact CZ2-CD1 4.45Å; W219-Y341 AromaticContact CZ2-CE1 3.78Å; W219-Y341 HydrophobicContact CZ2-CE1 3.78Å; W219-Y341 HydrophobicContact CZ3-CE1 4.18Å |
| 220 | V | 92.1 | Very high | 90.2 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 38% | 0.382 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | T216 W217 L222 I223 L224 | T216-V220 PolarHBondContact O-N 3.12Å; W217-V220 PolarHBondContact O-N 3.03Å; W217-V220 VanDerWaalsContact O-N 3.13Å; V220-L222 VanDerWaalsContact C-N 3.33Å; V220-L222 PolarHBondContact O-N 2.72Å; V220-I223 PolarHBondContact O-N 3.25Å; V220-L224 HydrophobicContact CG1-CD1 4.08Å; V220-L224 HydrophobicContact CG1-CG 4.49Å; V220-L224 WeakPolarHBondContact O-CG 3.43Å; V220-L224 PolarHBondContact O-N 3.23Å |
| 221 | I | 91.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 175.2 | -65.8 | -62.6 | 0 | 0 | 0 | 111.6 | W217 W219 L224 T225 I257 F258 D261 | W217-I221 HydrophobicContact CG-CG1 4.48Å; W217-I221 HydrophobicContact CZ2-CD1 3.99Å; W217-I221 HydrophobicContact CZ2-CG1 4.41Å; W217-I221 WeakPolarHBondContact O-CG1 3.34Å; W217-I221 PolarHBondContact O-N 3.35Å; W219-I221 VanDerWaalsContact C-N 3.32Å; W219-I221 PolarHBondContact O-N 3.04Å; I221-L224 PolarHBondContact O-N 3.24Å; I221-T225 HydrophobicContact CG2-CG2 4.42Å; I221-T225 WeakPolarHBondContact O-CG2 3.28Å; I221-T225 PolarHBondContact O-N 2.91Å; I221-T225 PolarHBondContact O-OG1 3Å; I221-I257 HydrophobicContact CD1-CG2 3.9Å; I221-F258 HydrophobicContact CD1-CD1 4.43Å; I221-F258 HydrophobicContact CD1-CE1 4.43Å; I221-F258 HydrophobicContact CG2-CE1 4.07Å; I221-D261 HydrophobicContact CD1-CB 3.79Å; I221-D261 HydrophobicContact CG1-CB 4.33Å |
| 222 | L | 89 | Confident | 90.6 | Very high | 35 Ų | 35 | 48 Ų | 48 | 18% | 0.183 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 174.9 | -178 | 66.8 | 0 | 0 | 0 | 111.5 | D218 W219 V220 L224 T225 F226 V334 Y341 | D218-L222 PolarHBondContact O-N 3.24Å; W219-L222 HydrophobicContact CE3-CD2 3.75Å; W219-L222 HydrophobicContact CZ3-CD2 3.67Å; W219-L222 WeakPolarHBondContact O-CB 3.47Å; W219-L222 PolarHBondContact O-N 3.44Å; W219-L222 VanDerWaalsContact O-N 3.15Å; V220-L222 VanDerWaalsContact C-N 3.33Å; V220-L222 PolarHBondContact O-N 2.72Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 2.82Å; L222-T225 PolarHBondContact O-N 2.91Å; L222-T225 VanDerWaalsContact O-N 3.16Å; L222-T225 PolarHBondContact O-OG1 3.05Å; L222-F226 PolarHBondContact O-N 3.1Å; L222-V334 HydrophobicContact CD1-CB 4.41Å; L222-V334 HydrophobicContact CD1-CG1 3.96Å; L222-V334 HydrophobicContact CD1-CG2 3.73Å; L222-Y341 HydrophobicContact CD2-CE1 4.44Å; L222-Y341 HydrophobicContact CD2-CE2 4.41Å |
| 223 | I | 90.8 | Very high | 90.8 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 60% | 0.595 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.6 | -44 | 179 | -65.7 | 164.8 | 0 | 0 | 0 | 110.5 | W219 V220 F226 Y227 | W219-I223 WeakPolarHBondContact O-CG1 3.25Å; W219-I223 PolarHBondContact O-N 3.01Å; V220-I223 PolarHBondContact O-N 3.25Å; I223-F226 PolarHBondContact O-N 3.21Å; I223-Y227 PolarHBondContact O-N 2.9Å |
| 224 | L | 92.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 14% | 0.141 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 176.6 | -68.4 | 177.9 | 0 | 0 | 0 | 112.9 | V220 I221 L222 F226 Y227 T228 V254 I257 F258 | V220-L224 HydrophobicContact CG1-CD1 4.08Å; V220-L224 HydrophobicContact CG1-CG 4.49Å; V220-L224 WeakPolarHBondContact O-CG 3.43Å; V220-L224 PolarHBondContact O-N 3.23Å; I221-L224 PolarHBondContact O-N 3.24Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 2.82Å; L224-F226 VanDerWaalsContact C-N 3.32Å; L224-F226 PolarHBondContact O-N 3.45Å; L224-Y227 PolarHBondContact O-N 3.13Å; L224-T228 WeakPolarHBondContact O-CG2 2.97Å; L224-T228 PolarHBondContact O-N 2.77Å; L224-T228 PolarHBondContact O-OG1 2.93Å; L224-V254 HydrophobicContact CD2-CG1 4.43Å; L224-V254 HydrophobicContact CD2-CG2 4.03Å; L224-I257 HydrophobicContact CD1-CB 4.04Å; L224-I257 HydrophobicContact CD1-CD1 3.95Å; L224-I257 HydrophobicContact CD1-CG2 3.46Å; L224-I257 VanDerWaalsContact CD1-CG2 3.46Å; L224-F258 HydrophobicContact CB-CE2 4.03Å; L224-F258 HydrophobicContact CB-CZ 3.87Å |
| 225 | T | 91.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 173.1 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | I221 L222 T228 A229 F258 R330 R333 | I221-T225 HydrophobicContact CG2-CG2 4.42Å; I221-T225 WeakPolarHBondContact O-CG2 3.28Å; I221-T225 PolarHBondContact O-N 2.91Å; I221-T225 PolarHBondContact O-OG1 3Å; L222-T225 PolarHBondContact O-N 2.91Å; L222-T225 VanDerWaalsContact O-N 3.16Å; L222-T225 PolarHBondContact O-OG1 3.05Å; T225-T228 WeakPolarHBondContact CA-OG1 3.39Å; T225-T228 PolarHBondContact O-N 3.25Å; T225-T228 PolarHBondContact O-OG1 3.37Å; T225-A229 WeakPolarHBondContact O-CB 3.31Å; T225-A229 PolarHBondContact O-N 3.41Å; T225-F258 HydrophobicContact CG2-CE1 3.7Å; T225-F258 HydrophobicContact CG2-CZ 3.71Å; T225-R330 HydrophobicContact CG2-CB 4.07Å; T225-R330 WeakPolarHBondContact CG2-O 3.32Å; T225-R333 HydrophobicContact CG2-CB 4.38Å |
| 226 | F | 91.6 | Very high | 90.5 | Very high | 82 Ų | 82 | 44 Ų | 44 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.7 | -42.3 | 176.9 | -165.4 | -108.4 | 0 | 0 | 0 | 111.9 | L222 I223 L224 T228 A229 I230 C354 L358 | L222-F226 PolarHBondContact O-N 3.1Å; I223-F226 PolarHBondContact O-N 3.21Å; L224-F226 VanDerWaalsContact C-N 3.32Å; L224-F226 PolarHBondContact O-N 3.45Å; F226-T228 PolarHBondContact O-N 3.18Å; F226-A229 PolarHBondContact O-N 3.33Å; F226-I230 HydrophobicContact CD1-CD1 3.96Å; F226-I230 HydrophobicContact CE1-CD1 3.59Å; F226-I230 HydrophobicContact CZ-CD1 3.98Å; F226-I230 PolarHBondContact O-N 3.46Å; F226-C354 HydrophobicContact CE2-CB 3.95Å; F226-C354 HydrophobicContact CZ-CB 4.26Å; F226-L358 HydrophobicContact CD2-CD1 4.19Å; F226-L358 HydrophobicContact CE2-CB 4.34Å; F226-L358 HydrophobicContact CE2-CD1 4.12Å |
| 227 | Y | 92.6 | Very high | 90.4 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 20% | 0.2 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.9 | -51.4 | 169.4 | 168.6 | -90.4 | 0 | 0 | 0 | 111.4 | I223 L224 A229 I230 M231 L250 D251 V254 | I223-Y227 PolarHBondContact O-N 2.9Å; L224-Y227 PolarHBondContact O-N 3.13Å; Y227-A229 VanDerWaalsContact C-N 3.29Å; Y227-A229 PolarHBondContact O-N 2.9Å; Y227-I230 PolarHBondContact O-N 3.29Å; Y227-M231 HydrophobicContact CD1-CG 4.47Å; Y227-M231 HydrophobicContact CD2-CG 3.85Å; Y227-M231 HydrophobicContact CE1-CB 4.37Å; Y227-M231 HydrophobicContact CE1-CG 4.15Å; Y227-M231 HydrophobicContact CE2-CE 4.37Å; Y227-M231 HydrophobicContact CE2-CG 3.52Å; Y227-M231 HydrophobicContact CE2-SD 4.41Å; Y227-M231 HydrophobicContact CG-CG 4.31Å; Y227-M231 WeakPolarHBondContact O-CG 3.38Å; Y227-M231 PolarHBondContact O-N 2.82Å; Y227-L250 HydrophobicContact CE2-CD2 4.2Å; Y227-L250 WeakPolarHBondContact OH-CD2 3.44Å; Y227-D251 WeakPolarHBondContact CE1-OD1 3.25Å; Y227-D251 PolarHBondContact OH-OD1 2.74Å; Y227-V254 HydrophobicContact CD1-CG1 4.47Å; Y227-V254 HydrophobicContact CD1-CG2 4.28Å; Y227-V254 HydrophobicContact CE1-CG2 4.05Å |
| 228 | T | 91.4 | Very high | 90 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -32.7 | -180 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | L224 T225 F226 I230 V232 V254 F258 | L224-T228 WeakPolarHBondContact O-CG2 2.97Å; L224-T228 PolarHBondContact O-N 2.77Å; L224-T228 PolarHBondContact O-OG1 2.93Å; T225-T228 WeakPolarHBondContact CA-OG1 3.39Å; T225-T228 PolarHBondContact O-N 3.25Å; T225-T228 PolarHBondContact O-OG1 3.37Å; F226-T228 PolarHBondContact O-N 3.18Å; T228-I230 PolarHBondContact O-N 2.9Å; T228-V232 VanDerWaalsContact O-CB 3.25Å; T228-V232 WeakPolarHBondContact O-CB 3.46Å; T228-V232 VanDerWaalsContact O-CG2 3.25Å; T228-V232 WeakPolarHBondContact O-CG2 3.13Å; T228-V232 PolarHBondContact O-N 3.07Å; T228-V232 VanDerWaalsContact O-N 3.11Å; T228-V254 HydrophobicContact CG2-CG1 3.86Å; T228-F258 HydrophobicContact CG2-CE2 4.03Å |
| 229 | A | 92.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.9 | -17.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T225 F226 Y227 P233 L331 L358 W362 | T225-A229 WeakPolarHBondContact O-CB 3.31Å; T225-A229 PolarHBondContact O-N 3.41Å; F226-A229 PolarHBondContact O-N 3.33Å; Y227-A229 VanDerWaalsContact C-N 3.29Å; Y227-A229 PolarHBondContact O-N 2.9Å; A229-P233 WeakPolarHBondContact O-CD 3.39Å; A229-P233 WeakPolarHBondContact O-CG 3.42Å; A229-L331 HydrophobicContact CB-CD1 4.06Å; A229-L331 HydrophobicContact CB-CD2 4.34Å; A229-L331 HydrophobicContact CB-CG 4.41Å; A229-L358 HydrophobicContact CB-CD1 3.67Å; A229-L358 HydrophobicContact CB-CG 4.42Å; A229-W362 HydrophobicContact CB-CZ2 4.49Å; A229-W362 PolarHBondContact O-NE1 3.07Å |
| 230 | I | 92.7 | Very high | 88.5 | Confident | 53 Ų | 53 | 39.3 Ų | 39.3 | 27% | 0.272 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -96.7 | -48.8 | 173.8 | -64.7 | 168.7 | 0 | 0 | 0 | 110.6 | F226 Y227 T228 V232 P233 Y234 H361 | F226-I230 HydrophobicContact CD1-CD1 3.96Å; F226-I230 HydrophobicContact CE1-CD1 3.59Å; F226-I230 HydrophobicContact CZ-CD1 3.98Å; F226-I230 PolarHBondContact O-N 3.46Å; Y227-I230 PolarHBondContact O-N 3.29Å; T228-I230 PolarHBondContact O-N 2.9Å; I230-V232 PolarHBondContact O-N 3.45Å; I230-P233 WeakPolarHBondContact O-CD 3.43Å; I230-Y234 WeakPolarHBondContact O-CB 3.34Å; I230-Y234 PolarHBondContact O-N 2.98Å; I230-H361 WeakPolarHBondContact CA-NE2 3.32Å; I230-H361 PolarHBondContact O-NE2 2.78Å |
| 231 | M | 89.7 | Confident | 86.8 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 18% | 0.177 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73 | -30.1 | -172.3 | -63.9 | -63.5 | -79.1 | 0 | 0 | 113.3 | Y227 N235 W247 | Y227-M231 HydrophobicContact CD1-CG 4.47Å; Y227-M231 HydrophobicContact CD2-CG 3.85Å; Y227-M231 HydrophobicContact CE1-CB 4.37Å; Y227-M231 HydrophobicContact CE1-CG 4.15Å; Y227-M231 HydrophobicContact CE2-CE 4.37Å; Y227-M231 HydrophobicContact CE2-CG 3.52Å; Y227-M231 HydrophobicContact CE2-SD 4.41Å; Y227-M231 HydrophobicContact CG-CG 4.31Å; Y227-M231 WeakPolarHBondContact O-CG 3.38Å; Y227-M231 PolarHBondContact O-N 2.82Å; M231-N235 VanDerWaalsContact O-CB 3.26Å; M231-N235 WeakPolarHBondContact O-CB 3.31Å; M231-N235 VanDerWaalsContact O-CG 3.27Å; M231-N235 PolarHBondContact O-N 3.04Å; M231-N235 PolarHBondContact O-ND2 2.94Å; M231-W247 HydrophobicContact CE-CE3 4Å; M231-W247 HydrophobicContact CE-CH2 4.15Å; M231-W247 HydrophobicContact CE-CZ3 3.69Å |
| 232 | V | 89.1 | Confident | 85.1 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.3 | -52.4 | -179.4 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | T228 I230 Y234 N235 V236 K324 R327 L328 | T228-V232 VanDerWaalsContact O-CB 3.25Å; T228-V232 WeakPolarHBondContact O-CB 3.46Å; T228-V232 VanDerWaalsContact O-CG2 3.25Å; T228-V232 WeakPolarHBondContact O-CG2 3.13Å; T228-V232 PolarHBondContact O-N 3.07Å; T228-V232 VanDerWaalsContact O-N 3.11Å; I230-V232 PolarHBondContact O-N 3.45Å; V232-Y234 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 3.31Å; V232-N235 PolarHBondContact O-N 3.48Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.5Å; V232-V236 PolarHBondContact O-N 2.94Å; V232-K324 VanDerWaalsContact CG1-O 3.3Å; V232-K324 WeakPolarHBondContact CG1-O 3.5Å; V232-R327 HydrophobicContact CG2-CB 3.97Å; V232-L328 HydrophobicContact CB-CD2 4.34Å; V232-L328 HydrophobicContact CG1-CD2 4.43Å; V232-L328 HydrophobicContact CG1-CG 4.45Å |
| 233 | P | 91.7 | Very high | 83.5 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 175.6 | -22.3 | 34.4 | 0 | 0 | 0 | 112.4 | A229 I230 V236 S237 L328 C365 | A229-P233 WeakPolarHBondContact O-CD 3.39Å; A229-P233 WeakPolarHBondContact O-CG 3.42Å; I230-P233 WeakPolarHBondContact O-CD 3.43Å; P233-V236 PolarHBondContact O-N 3.46Å; P233-S237 WeakPolarHBondContact O-CB 3.35Å; P233-S237 PolarHBondContact O-N 3.39Å; P233-S237 PolarHBondContact O-OG 3.02Å; P233-L328 HydrophobicContact CG-CD1 4.44Å; P233-L328 HydrophobicContact CG-CD2 4.17Å; P233-C365 HydrophobicContact CB-CB 4.05Å |
| 234 | Y | 90.3 | Very high | 82.5 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -51.3 | 176.2 | -179.6 | -101.7 | 0 | 0 | 0 | 112.1 | I230 V232 V236 F238 T240 Y419 | I230-Y234 WeakPolarHBondContact O-CB 3.34Å; I230-Y234 PolarHBondContact O-N 2.98Å; V232-Y234 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 3.31Å; Y234-V236 VanDerWaalsContact C-N 3.35Å; Y234-V236 PolarHBondContact O-N 2.87Å; Y234-F238 HydrophobicContact CD2-CB 4.5Å; Y234-F238 AromaticContact CD2-CD2 3.57Å; Y234-F238 HydrophobicContact CD2-CD2 3.57Å; Y234-F238 HydrophobicContact CD2-CE2 4.11Å; Y234-F238 HydrophobicContact CD2-CG 4.16Å; Y234-F238 HydrophobicContact CE2-CB 4.24Å; Y234-F238 AromaticContact CE2-CD2 3.81Å; Y234-F238 HydrophobicContact CE2-CD2 3.81Å; Y234-F238 HydrophobicContact CE2-CE2 4.39Å; Y234-F238 AromaticContact CE2-CG 3.95Å; Y234-F238 HydrophobicContact CE2-CG 3.95Å; Y234-F238 HydrophobicContact CG-CD2 4.36Å; Y234-F238 WeakPolarHBondContact O-CB 3.08Å; Y234-F238 PolarHBondContact O-N 3.23Å; Y234-T240 HydrophobicContact CE1-CG2 3.98Å; Y234-Y419 AromaticContact CD2-CD2 3.92Å; Y234-Y419 HydrophobicContact CD2-CD2 3.92Å; Y234-Y419 HydrophobicContact CD2-CE2 4.19Å; Y234-Y419 HydrophobicContact CD2-CG 4.37Å; Y234-Y419 HydrophobicContact CE2-CD2 4.03Å; Y234-Y419 HydrophobicContact CE2-CG 4.02Å |
| 235 | N | 86.4 | Confident | 81.8 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.9 | -32.2 | -178.7 | -75.9 | -23.4 | 0 | 0 | 0 | 113.3 | M231 V232 T240 | M231-N235 VanDerWaalsContact O-CB 3.26Å; M231-N235 WeakPolarHBondContact O-CB 3.31Å; M231-N235 VanDerWaalsContact O-CG 3.27Å; M231-N235 PolarHBondContact O-N 3.04Å; M231-N235 PolarHBondContact O-ND2 2.94Å; V232-N235 PolarHBondContact O-N 3.48Å; N235-T240 WeakPolarHBondContact CA-OG1 3.32Å; N235-T240 PolarHBondContact OD1-OG1 3.41Å |
| 236 | V | 85.1 | Confident | 81.3 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 30% | 0.297 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.8 | -52.2 | 175.3 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | V232 P233 Y234 K324 V325 | V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.5Å; V232-V236 PolarHBondContact O-N 2.94Å; P233-V236 PolarHBondContact O-N 3.46Å; Y234-V236 VanDerWaalsContact C-N 3.35Å; Y234-V236 PolarHBondContact O-N 2.87Å; V236-K324 HydrophobicContact CG2-CB 4.25Å; V236-V325 HydrophobicContact CG1-CG2 4.3Å; V236-V325 HydrophobicContact CG2-CG2 4.13Å |
| 237 | S | 87 | Confident | 80.8 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73 | -50.2 | -176.1 | -68.8 | 0 | 0 | 0 | 0 | 112.9 | P233 K239 C365 Y368 | P233-S237 WeakPolarHBondContact O-CB 3.35Å; P233-S237 PolarHBondContact O-N 3.39Å; P233-S237 PolarHBondContact O-OG 3.02Å; S237-K239 PolarHBondContact O-N 2.72Å; S237-C365 VanDerWaalsContact CB-O 3.28Å; S237-C365 WeakPolarHBondContact CB-O 3.33Å; S237-C365 PolarHBondContact OG-O 3.38Å; S237-Y368 WeakPolarHBondContact O-CE1 3.46Å |
| 238 | F | 84.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 5.3 | -172.6 | -71.2 | -89.7 | 0 | 0 | 0 | 114.1 | Y234 T240 Y368 K415 L418 Y419 | Y234-F238 HydrophobicContact CD2-CB 4.5Å; Y234-F238 AromaticContact CD2-CD2 3.57Å; Y234-F238 HydrophobicContact CD2-CD2 3.57Å; Y234-F238 HydrophobicContact CD2-CE2 4.11Å; Y234-F238 HydrophobicContact CD2-CG 4.16Å; Y234-F238 HydrophobicContact CE2-CB 4.24Å; Y234-F238 AromaticContact CE2-CD2 3.81Å; Y234-F238 HydrophobicContact CE2-CD2 3.81Å; Y234-F238 HydrophobicContact CE2-CE2 4.39Å; Y234-F238 AromaticContact CE2-CG 3.95Å; Y234-F238 HydrophobicContact CE2-CG 3.95Å; Y234-F238 HydrophobicContact CG-CD2 4.36Å; Y234-F238 WeakPolarHBondContact O-CB 3.08Å; Y234-F238 PolarHBondContact O-N 3.23Å; F238-T240 VanDerWaalsContact C-N 3.27Å; F238-T240 PolarHBondContact O-N 2.62Å; F238-T240 VanDerWaalsContact O-N 3.15Å; F238-Y368 AromaticContact CD1-CD1 3.67Å; F238-Y368 HydrophobicContact CD1-CD1 3.67Å; F238-Y368 HydrophobicContact CD1-CD2 4.43Å; F238-Y368 AromaticContact CD1-CE1 3.76Å; F238-Y368 HydrophobicContact CD1-CE1 3.76Å; F238-Y368 HydrophobicContact CD1-CG 4.03Å; F238-Y368 HydrophobicContact CD2-CD1 4.19Å; F238-Y368 AromaticContact CE1-CD1 3.56Å; F238-Y368 HydrophobicContact CE1-CD1 3.56Å; F238-Y368 AromaticContact CE1-CD2 3.78Å; F238-Y368 HydrophobicContact CE1-CD2 3.78Å; F238-Y368 HydrophobicContact CE1-CE1 4.04Å; F238-Y368 HydrophobicContact CE1-CE2 4.24Å; F238-Y368 AromaticContact CE1-CG 3.43Å; F238-Y368 HydrophobicContact CE1-CG 3.43Å; F238-Y368 VanDerWaalsContact CE1-CG 3.43Å; F238-Y368 HydrophobicContact CE2-CD1 4.09Å; F238-Y368 HydrophobicContact CE2-CG 4.22Å; F238-Y368 AromaticContact CG-CD1 3.98Å; F238-Y368 HydrophobicContact CG-CD1 3.98Å; F238-Y368 HydrophobicContact CG-CE1 4.18Å; F238-Y368 AromaticContact CZ-CD1 3.78Å; F238-Y368 HydrophobicContact CZ-CD1 3.78Å; F238-Y368 HydrophobicContact CZ-CD2 4.24Å; F238-Y368 AromaticContact CZ-CG 3.53Å; F238-Y368 HydrophobicContact CZ-CG 3.53Å; F238-K415 PolarHBondContact O-NZ 2.82Å; F238-L418 HydrophobicContact CE1-CB 4.14Å; F238-Y419 AromaticContact CE2-CD2 3.73Å; F238-Y419 HydrophobicContact CE2-CD2 3.73Å; F238-Y419 AromaticContact CZ-CD2 3.83Å; F238-Y419 HydrophobicContact CZ-CD2 3.83Å; F238-Y419 HydrophobicContact CZ-CG 4.36Å |
| 239 | K | 76.8 | Confident | 79.9 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 52.4 | 174.5 | -63.2 | 167.4 | -177.1 | 168.5 | 0 | 111.4 | S237 K241 D372 K415 | S237-K239 PolarHBondContact O-N 2.72Å; K239-K241 PolarHBondContact O-N 3.16Å; K239-D372 WeakPolarHBondContact CE-OD2 3.35Å; K239-D372 IonicContact NZ-OD2 2.69Å; K239-D372 PolarHBondContact NZ-OD2 2.94Å; K239-K415 PolarHBondContact O-NZ 2.82Å; K239-K415 VanDerWaalsContact O-NZ 3.11Å |
| 240 | T | 68.6 | Low | 79.6 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | trans | -71.7 | 90.8 | 179.4 | 26.8 | 0 | 0 | 0 | 0 | 109.5 | Y234 N235 F238 Q242 | Y234-T240 HydrophobicContact CE1-CG2 3.98Å; N235-T240 WeakPolarHBondContact CA-OG1 3.32Å; N235-T240 PolarHBondContact OD1-OG1 3.41Å; F238-T240 VanDerWaalsContact C-N 3.27Å; F238-T240 PolarHBondContact O-N 2.62Å; F238-T240 VanDerWaalsContact O-N 3.15Å; T240-Q242 PolarHBondContact O-N 3.31Å | ||
| 241 | K | 56.8 | Low | 79.2 | Confident | 177 Ų | 177 | 69.6 Ų | 69.6 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | trans | -48.4 | 129.6 | 175 | -68.4 | -168.2 | 174.5 | -172.5 | 0 | 109.5 | K239 N243 | K239-K241 PolarHBondContact O-N 3.16Å; K241-N243 WeakPolarHBondContact CB-OD1 3.43Å; K241-N243 PolarHBondContact O-N 2.6Å | ||
| 242 | Q | 56.9 | Low | 79.1 | Confident | 103 Ų | 103 | 69.2 Ų | 69.2 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | trans | -75.2 | 36.6 | -167.7 | -65.3 | 175 | -70.4 | 0 | 0 | 113.6 | T240 N244 D304 | T240-Q242 PolarHBondContact O-N 3.31Å; Q242-N244 PolarHBondContact O-N 3.3Å; Q242-N244 VanDerWaalsContact O-N 3.12Å; Q242-D304 PolarHBondContact NE2-OD1 2.85Å | ||
| 243 | N | 54.1 | Low | 79.1 | Confident | 132 Ų | 132 | 72.3 Ų | 72.3 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | trans | -60.8 | -23.3 | -176.3 | -61.1 | 7 | 0 | 0 | 0 | 112.9 | K241 | K241-N243 WeakPolarHBondContact CB-OD1 3.43Å; K241-N243 PolarHBondContact O-N 2.6Å | ||
| 244 | N | 70.2 | Confident | 79.1 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | trans | -100.7 | 98 | 175.8 | -73.2 | -5.4 | 0 | 0 | 0 | 110.3 | Q242 A246 W247 | Q242-N244 PolarHBondContact O-N 3.3Å; Q242-N244 VanDerWaalsContact O-N 3.12Å; N244-A246 PolarHBondContact O-N 2.66Å; N244-W247 PolarHBondContact O-N 3.06Å | ||
| 245 | I | 77.6 | Confident | 79 | Confident | 128 Ų | 128 | 70 Ų | 70 | 66% | 0.656 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -49.5 | -31.5 | 176.1 | -63.1 | 165 | 0 | 0 | 0 | 112.1 | W247 L248 V249 | I245-W247 VanDerWaalsContact C-N 3.31Å; I245-W247 PolarHBondContact O-N 3.41Å; I245-L248 PolarHBondContact O-N 2.83Å; I245-V249 HydrophobicContact CG2-CG2 4.04Å; I245-V249 WeakPolarHBondContact O-CG2 3.18Å; I245-V249 PolarHBondContact O-N 2.89Å |
| 246 | A | 81.2 | Confident | 79.3 | Confident | 75 Ų | 75 | 72 Ų | 72 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -55.5 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N244 L250 | N244-A246 PolarHBondContact O-N 2.66Å; A246-L250 WeakPolarHBondContact O-CB 3.19Å; A246-L250 PolarHBondContact O-N 3.34Å |
| 247 | W | 81.7 | Confident | 79.6 | Confident | 133 Ų | 133 | 71.8 Ų | 71.8 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.8 | -40.2 | 177.4 | -71.8 | 122.9 | 0 | 0 | 0 | 111.9 | M231 N244 I245 V249 L250 D251 | M231-W247 HydrophobicContact CE-CE3 4Å; M231-W247 HydrophobicContact CE-CH2 4.15Å; M231-W247 HydrophobicContact CE-CZ3 3.69Å; N244-W247 PolarHBondContact O-N 3.06Å; I245-W247 VanDerWaalsContact C-N 3.31Å; I245-W247 PolarHBondContact O-N 3.41Å; W247-V249 VanDerWaalsContact C-N 3.32Å; W247-V249 PolarHBondContact O-N 3.25Å; W247-L250 HydrophobicContact CE3-CD2 3.88Å; W247-L250 HydrophobicContact CZ3-CD2 3.74Å; W247-L250 PolarHBondContact O-N 3.27Å; W247-D251 PolarHBondContact O-N 3.39Å |
| 248 | L | 79.8 | Confident | 79.9 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 26% | 0.262 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 174.2 | 176.1 | 61.6 | 0 | 0 | 0 | 111.5 | I245 S252 D304 | I245-L248 PolarHBondContact O-N 2.83Å; L248-S252 VanDerWaalsContact O-CB 3.29Å; L248-S252 WeakPolarHBondContact O-CB 3.41Å; L248-S252 PolarHBondContact O-N 2.95Å; L248-S252 PolarHBondContact O-OG 3.44Å; L248-D304 HydrophobicContact CD1-CB 3.61Å |
| 249 | V | 85.3 | Confident | 80.2 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | I245 W247 S252 V253 | I245-V249 HydrophobicContact CG2-CG2 4.04Å; I245-V249 WeakPolarHBondContact O-CG2 3.18Å; I245-V249 PolarHBondContact O-N 2.89Å; W247-V249 VanDerWaalsContact C-N 3.32Å; W247-V249 PolarHBondContact O-N 3.25Å; V249-S252 PolarHBondContact O-N 3.05Å; V249-V253 WeakPolarHBondContact O-CG2 3.34Å; V249-V253 PolarHBondContact O-N 3.19Å |
| 250 | L | 85.9 | Confident | 81 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.2 | -50.8 | 178.1 | -178.6 | 60.4 | 0 | 0 | 0 | 111.7 | Y227 A246 W247 S252 V253 V254 | Y227-L250 HydrophobicContact CE2-CD2 4.2Å; Y227-L250 WeakPolarHBondContact OH-CD2 3.44Å; A246-L250 WeakPolarHBondContact O-CB 3.19Å; A246-L250 PolarHBondContact O-N 3.34Å; W247-L250 HydrophobicContact CE3-CD2 3.88Å; W247-L250 HydrophobicContact CZ3-CD2 3.74Å; W247-L250 PolarHBondContact O-N 3.27Å; L250-S252 VanDerWaalsContact C-N 3.27Å; L250-S252 PolarHBondContact O-N 3.13Å; L250-V253 PolarHBondContact O-N 3.28Å; L250-V253 VanDerWaalsContact O-N 3.12Å; L250-V254 WeakPolarHBondContact O-CG2 3.49Å; L250-V254 PolarHBondContact O-N 2.92Å |
| 251 | D | 85.4 | Confident | 82.2 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 179 | -75.5 | -6.9 | 0 | 0 | 0 | 111.6 | Y227 W247 V254 D255 | Y227-D251 WeakPolarHBondContact CE1-OD1 3.25Å; Y227-D251 PolarHBondContact OH-OD1 2.74Å; W247-D251 PolarHBondContact O-N 3.39Å; D251-V254 PolarHBondContact O-N 3.27Å; D251-D255 PolarHBondContact O-N 2.71Å |
| 252 | S | 85.8 | Confident | 83.9 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 172.3 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | L248 V249 L250 V254 D255 V256 | L248-S252 VanDerWaalsContact O-CB 3.29Å; L248-S252 WeakPolarHBondContact O-CB 3.41Å; L248-S252 PolarHBondContact O-N 2.95Å; L248-S252 PolarHBondContact O-OG 3.44Å; V249-S252 PolarHBondContact O-N 3.05Å; L250-S252 VanDerWaalsContact C-N 3.27Å; L250-S252 PolarHBondContact O-N 3.13Å; S252-V254 VanDerWaalsContact C-N 3.35Å; S252-D255 PolarHBondContact O-N 3.33Å; S252-V256 WeakPolarHBondContact O-CG2 3.46Å; S252-V256 PolarHBondContact O-N 2.97Å |
| 253 | V | 89.9 | Confident | 85.7 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 174.7 | 167.9 | 0 | 0 | 0 | 0 | 111 | V249 L250 V256 I257 | V249-V253 WeakPolarHBondContact O-CG2 3.34Å; V249-V253 PolarHBondContact O-N 3.19Å; L250-V253 PolarHBondContact O-N 3.28Å; L250-V253 VanDerWaalsContact O-N 3.12Å; V253-V256 PolarHBondContact O-N 2.86Å; V253-I257 HydrophobicContact CG1-CD1 4.09Å; V253-I257 WeakPolarHBondContact O-CG1 3.23Å; V253-I257 PolarHBondContact O-N 2.94Å |
| 254 | V | 90.8 | Very high | 87.5 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111 | L224 Y227 T228 L250 D251 S252 V256 I257 F258 | L224-V254 HydrophobicContact CD2-CG1 4.43Å; L224-V254 HydrophobicContact CD2-CG2 4.03Å; Y227-V254 HydrophobicContact CD1-CG1 4.47Å; Y227-V254 HydrophobicContact CD1-CG2 4.28Å; Y227-V254 HydrophobicContact CE1-CG2 4.05Å; T228-V254 HydrophobicContact CG2-CG1 3.86Å; L250-V254 WeakPolarHBondContact O-CG2 3.49Å; L250-V254 PolarHBondContact O-N 2.92Å; D251-V254 PolarHBondContact O-N 3.27Å; S252-V254 VanDerWaalsContact C-N 3.35Å; V254-V256 PolarHBondContact O-N 2.97Å; V254-I257 PolarHBondContact O-N 3.02Å; V254-F258 HydrophobicContact CG1-CD2 3.82Å; V254-F258 HydrophobicContact CG1-CE2 3.57Å; V254-F258 VanDerWaalsContact O-CD2 3.22Å; V254-F258 WeakPolarHBondContact O-CD2 3.5Å; V254-F258 PolarHBondContact O-N 3.44Å |
| 255 | D | 89.8 | Confident | 88.5 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 176.4 | -77.2 | 3 | 0 | 0 | 0 | 112.3 | D251 S252 I257 F258 L259 R327 R330 | D251-D255 PolarHBondContact O-N 2.71Å; S252-D255 PolarHBondContact O-N 3.33Å; D255-I257 PolarHBondContact O-N 3.3Å; D255-F258 PolarHBondContact O-N 2.8Å; D255-L259 PolarHBondContact O-N 2.85Å; D255-R327 IonicContact OD1-NE 3.87Å; D255-R327 IonicContact OD2-CZ 3.51Å; D255-R327 IonicContact OD2-NE 3.61Å; D255-R327 PolarHBondContact OD2-NE 3.37Å; D255-R327 IonicContact OD2-NH2 2.81Å; D255-R327 PolarHBondContact OD2-NH2 3.02Å; D255-R330 IonicContact OD1-CZ 2.71Å; D255-R330 IonicContact OD1-NH1 2.66Å; D255-R330 PolarHBondContact OD1-NH1 3.2Å; D255-R330 IonicContact OD1-NH2 2.72Å; D255-R330 PolarHBondContact OD1-NH2 2.88Å; D255-R330 IonicContact OD2-NH2 3.76Å |
| 256 | V | 91.3 | Very high | 89.2 | Confident | 88 Ų | 88 | 48.8 Ų | 48.8 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 172.4 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | S252 V253 V254 F258 L259 V260 | S252-V256 WeakPolarHBondContact O-CG2 3.46Å; S252-V256 PolarHBondContact O-N 2.97Å; V253-V256 PolarHBondContact O-N 2.86Å; V254-V256 PolarHBondContact O-N 2.97Å; V256-F258 VanDerWaalsContact C-N 3.34Å; V256-F258 PolarHBondContact O-N 3.45Å; V256-L259 WeakPolarHBondContact O-CB 3.15Å; V256-L259 PolarHBondContact O-N 2.8Å; V256-V260 WeakPolarHBondContact O-CG2 3.42Å; V256-V260 PolarHBondContact O-N 3.35Å |
| 257 | I | 93.1 | Very high | 89.7 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 176.8 | -66.3 | 163.7 | 0 | 0 | 0 | 111.1 | W217 I221 L224 V253 V254 D255 V260 D261 | W217-I257 HydrophobicContact CH2-CG2 3.84Å; W217-I257 HydrophobicContact CZ2-CG2 4.08Å; I221-I257 HydrophobicContact CD1-CG2 3.9Å; L224-I257 HydrophobicContact CD1-CB 4.04Å; L224-I257 HydrophobicContact CD1-CD1 3.95Å; L224-I257 HydrophobicContact CD1-CG2 3.46Å; L224-I257 VanDerWaalsContact CD1-CG2 3.46Å; V253-I257 HydrophobicContact CG1-CD1 4.09Å; V253-I257 WeakPolarHBondContact O-CG1 3.23Å; V253-I257 PolarHBondContact O-N 2.94Å; V254-I257 PolarHBondContact O-N 3.02Å; D255-I257 PolarHBondContact O-N 3.3Å; I257-V260 PolarHBondContact O-N 2.89Å; I257-D261 PolarHBondContact O-N 2.93Å |
| 258 | F | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.5 | -33.6 | 173.5 | -78.7 | -68.2 | 0 | 0 | 0 | 113.2 | I221 L224 T225 T228 V254 D255 V256 D261 I262 C300 R330 | I221-F258 HydrophobicContact CD1-CD1 4.43Å; I221-F258 HydrophobicContact CD1-CE1 4.43Å; I221-F258 HydrophobicContact CG2-CE1 4.07Å; L224-F258 HydrophobicContact CB-CE2 4.03Å; L224-F258 HydrophobicContact CB-CZ 3.87Å; T225-F258 HydrophobicContact CG2-CE1 3.7Å; T225-F258 HydrophobicContact CG2-CZ 3.71Å; T228-F258 HydrophobicContact CG2-CE2 4.03Å; V254-F258 HydrophobicContact CG1-CD2 3.82Å; V254-F258 HydrophobicContact CG1-CE2 3.57Å; V254-F258 VanDerWaalsContact O-CD2 3.22Å; V254-F258 WeakPolarHBondContact O-CD2 3.5Å; V254-F258 PolarHBondContact O-N 3.44Å; D255-F258 PolarHBondContact O-N 2.8Å; V256-F258 VanDerWaalsContact C-N 3.34Å; V256-F258 PolarHBondContact O-N 3.45Å; F258-D261 WeakPolarHBondContact O-CB 3.44Å; F258-D261 PolarHBondContact O-N 3.42Å; F258-I262 PolarHBondContact O-N 3.29Å; F258-I262 VanDerWaalsContact O-N 3.17Å; F258-C300 HydrophobicContact CB-CB 4.33Å; F258-R330 HydrophobicContact CE1-CB 4.49Å; F258-R330 HydrophobicContact CE1-CG 4.41Å |
| 259 | L | 91.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 39.6 Ų | 39.6 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 172.2 | -174.1 | 64.8 | 0 | 0 | 0 | 111.5 | D255 V256 D261 I262 V263 | D255-L259 PolarHBondContact O-N 2.85Å; V256-L259 WeakPolarHBondContact O-CB 3.15Å; V256-L259 PolarHBondContact O-N 2.8Å; L259-D261 VanDerWaalsContact C-N 3.34Å; L259-I262 PolarHBondContact O-N 3.39Å; L259-V263 PolarHBondContact O-N 3.16Å |
| 260 | V | 93.8 | Very high | 90.8 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 39% | 0.388 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.1 | -38.7 | 172.5 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | W217 V256 I257 I262 V263 L264 | W217-V260 HydrophobicContact CH2-CB 4.21Å; W217-V260 HydrophobicContact CH2-CG1 3.69Å; W217-V260 HydrophobicContact CZ2-CB 4.31Å; W217-V260 HydrophobicContact CZ2-CG1 3.89Å; V256-V260 WeakPolarHBondContact O-CG2 3.42Å; V256-V260 PolarHBondContact O-N 3.35Å; I257-V260 PolarHBondContact O-N 2.89Å; V260-I262 VanDerWaalsContact C-N 3.32Å; V260-I262 PolarHBondContact O-N 3.26Å; V260-V263 PolarHBondContact O-N 2.9Å; V260-L264 HydrophobicContact CG1-CD1 3.86Å; V260-L264 HydrophobicContact CG1-CG 4.27Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.26Å |
| 261 | D | 93.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 174.5 | -169.7 | 55.9 | 0 | 0 | 0 | 112.2 | W217 I221 I257 F258 L259 V263 L264 N265 R333 | W217-D261 HydrophobicContact CZ2-CB 4.24Å; W217-D261 PolarHBondContact NE1-OD1 2.84Å; I221-D261 HydrophobicContact CD1-CB 3.79Å; I221-D261 HydrophobicContact CG1-CB 4.33Å; I257-D261 PolarHBondContact O-N 2.93Å; F258-D261 WeakPolarHBondContact O-CB 3.44Å; F258-D261 PolarHBondContact O-N 3.42Å; L259-D261 VanDerWaalsContact C-N 3.34Å; D261-V263 PolarHBondContact O-N 3.11Å; D261-L264 PolarHBondContact O-N 3.2Å; D261-N265 VanDerWaalsContact CG-ND2 3.3Å; D261-N265 WeakPolarHBondContact O-CB 3.04Å; D261-N265 PolarHBondContact O-N 2.8Å; D261-N265 PolarHBondContact O-ND2 3.12Å; D261-N265 PolarHBondContact OD2-ND2 2.95Å; D261-R333 IonicContact OD2-CZ 3.16Å; D261-R333 IonicContact OD2-NH1 2.83Å; D261-R333 PolarHBondContact OD2-NH1 3.4Å |
| 262 | I | 92.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 175 | -66.3 | 173.2 | 0 | 0 | 0 | 110.9 | F258 L259 V260 L264 N265 F266 Y288 F293 D296 C300 | F258-I262 PolarHBondContact O-N 3.29Å; F258-I262 VanDerWaalsContact O-N 3.17Å; L259-I262 PolarHBondContact O-N 3.39Å; V260-I262 VanDerWaalsContact C-N 3.32Å; V260-I262 PolarHBondContact O-N 3.26Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 2.98Å; I262-N265 PolarHBondContact O-N 2.91Å; I262-F266 HydrophobicContact CG2-CD2 4.03Å; I262-F266 HydrophobicContact CG2-CE2 3.84Å; I262-F266 VanDerWaalsContact O-CD2 3.29Å; I262-F266 WeakPolarHBondContact O-CD2 3.41Å; I262-F266 PolarHBondContact O-N 3.29Å; I262-F266 VanDerWaalsContact O-N 3.11Å; I262-Y288 HydrophobicContact CG2-CE1 4.26Å; I262-F293 HydrophobicContact CG2-CD2 4.19Å; I262-F293 HydrophobicContact CG2-CE2 4.12Å; I262-D296 HydrophobicContact CD1-CB 4.14Å; I262-D296 HydrophobicContact CG1-CB 4.08Å; I262-C300 HydrophobicContact CD1-CB 4.01Å; I262-C300 WeakPolarHBondContact CD1-SG 3.36Å |
| 263 | V | 93.3 | Very high | 90.3 | Very high | 80 Ų | 80 | 43 Ų | 43 | 49% | 0.485 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -39 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | L259 V260 D261 F266 H267 | L259-V263 PolarHBondContact O-N 3.16Å; V260-V263 PolarHBondContact O-N 2.9Å; D261-V263 PolarHBondContact O-N 3.11Å; V263-F266 PolarHBondContact O-N 3.07Å; V263-H267 PolarHBondContact O-ND1 2.8Å |
| 264 | L | 92 | Very high | 89.5 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.8 | -37.5 | 176.9 | -67.9 | 167.9 | 0 | 0 | 0 | 112.5 | I207 W217 V260 D261 I262 F266 H267 T268 | I207-L264 HydrophobicContact CD1-CD2 3.58Å; W217-L264 HydrophobicContact CD2-CD1 3.84Å; W217-L264 VanDerWaalsContact CE2-CD1 3.42Å; W217-L264 HydrophobicContact CE3-CD1 4.37Å; W217-L264 HydrophobicContact CG-CD1 4.32Å; W217-L264 HydrophobicContact CH2-CD1 4.19Å; W217-L264 HydrophobicContact CZ2-CD1 3.63Å; V260-L264 HydrophobicContact CG1-CD1 3.86Å; V260-L264 HydrophobicContact CG1-CG 4.27Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.26Å; D261-L264 PolarHBondContact O-N 3.2Å; I262-L264 VanDerWaalsContact C-N 3.32Å; I262-L264 PolarHBondContact O-N 2.98Å; L264-F266 VanDerWaalsContact C-N 3.33Å; L264-F266 PolarHBondContact O-N 2.83Å; L264-H267 CarbonylContact O-C 3.58Å; L264-H267 WeakPolarHBondContact O-CA 3.48Å; L264-H267 PolarHBondContact O-N 2.97Å; L264-T268 PolarHBondContact O-N 3.31Å; L264-T268 PolarHBondContact O-OG1 3.38Å |
| 265 | N | 91.1 | Very high | 88.7 | Confident | 22 Ų | 22 | 43 Ų | 43 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 174.3 | -77.4 | -70.7 | 0 | 0 | 0 | 111.4 | D261 I262 H267 T268 Y288 R336 | D261-N265 VanDerWaalsContact CG-ND2 3.3Å; D261-N265 WeakPolarHBondContact O-CB 3.04Å; D261-N265 PolarHBondContact O-N 2.8Å; D261-N265 PolarHBondContact O-ND2 3.12Å; D261-N265 PolarHBondContact OD2-ND2 2.95Å; I262-N265 PolarHBondContact O-N 2.91Å; N265-H267 PolarHBondContact O-N 3.18Å; N265-H267 VanDerWaalsContact O-N 3.11Å; N265-T268 PolarHBondContact O-N 2.88Å; N265-Y288 HydrophobicContact CB-CD1 4.35Å; N265-Y288 HydrophobicContact CB-CD2 4.36Å; N265-Y288 HydrophobicContact CB-CE1 3.87Å; N265-Y288 HydrophobicContact CB-CE2 3.89Å; N265-R336 PolarHBondContact OD1-NH1 2.79Å |
| 266 | F | 92.3 | Very high | 88.2 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 20% | 0.197 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.9 | 171.8 | -83.1 | -61.1 | 0 | 0 | 0 | 115.1 | I262 V263 L264 R285 Y288 F293 | I262-F266 HydrophobicContact CG2-CD2 4.03Å; I262-F266 HydrophobicContact CG2-CE2 3.84Å; I262-F266 VanDerWaalsContact O-CD2 3.29Å; I262-F266 WeakPolarHBondContact O-CD2 3.41Å; I262-F266 PolarHBondContact O-N 3.29Å; I262-F266 VanDerWaalsContact O-N 3.11Å; V263-F266 PolarHBondContact O-N 3.07Å; L264-F266 VanDerWaalsContact C-N 3.33Å; L264-F266 PolarHBondContact O-N 2.83Å; F266-R285 HydrophobicContact CB-CG 4.49Å; F266-R285 HydrophobicContact CD1-CB 4.1Å; F266-R285 HydrophobicContact CD1-CG 3.82Å; F266-R285 HydrophobicContact CE1-CB 4.46Å; F266-Y288 AromaticContact CD1-CD1 3.56Å; F266-Y288 HydrophobicContact CD1-CD1 3.56Å; F266-Y288 HydrophobicContact CD1-CE1 4.16Å; F266-Y288 HydrophobicContact CD2-CD1 4.12Å; F266-Y288 AromaticContact CD2-CE1 3.86Å; F266-Y288 HydrophobicContact CD2-CE1 3.86Å; F266-Y288 AromaticContact CE1-CD1 3.57Å; F266-Y288 HydrophobicContact CE1-CD1 3.57Å; F266-Y288 HydrophobicContact CE1-CE1 4.13Å; F266-Y288 HydrophobicContact CE2-CD1 4.12Å; F266-Y288 AromaticContact CE2-CE1 3.82Å; F266-Y288 HydrophobicContact CE2-CE1 3.82Å; F266-Y288 AromaticContact CG-CD1 3.85Å; F266-Y288 HydrophobicContact CG-CD1 3.85Å; F266-Y288 HydrophobicContact CG-CE1 4.04Å; F266-Y288 AromaticContact CZ-CD1 3.86Å; F266-Y288 HydrophobicContact CZ-CD1 3.86Å; F266-Y288 AromaticContact CZ-CE1 3.96Å; F266-Y288 HydrophobicContact CZ-CE1 3.96Å; F266-F293 AromaticContact CE2-CD2 3.63Å; F266-F293 HydrophobicContact CE2-CD2 3.63Å; F266-F293 AromaticContact CE2-CE2 3.59Å; F266-F293 HydrophobicContact CE2-CE2 3.59Å; F266-F293 HydrophobicContact CE2-CZ 4.46Å; F266-F293 AromaticContact CZ-CD2 3.46Å; F266-F293 HydrophobicContact CZ-CD2 3.46Å; F266-F293 VanDerWaalsContact CZ-CD2 3.46Å; F266-F293 AromaticContact CZ-CE2 3.62Å; F266-F293 HydrophobicContact CZ-CE2 3.62Å; F266-F293 AromaticContact CZ-CG 3.96Å; F266-F293 HydrophobicContact CZ-CG 3.96Å; F266-F293 HydrophobicContact CZ-CZ 4.22Å |
| 267 | H | 92.8 | Very high | 87.9 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 22% | 0.222 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | 8.1 | -178.6 | -66.2 | 94.6 | 0 | 0 | 0 | 113.5 | H205 I206 I207 V263 L264 N265 R285 | H205-H267 PolarHBondContact O-CD2 3.24Å; H205-H267 VanDerWaalsContact O-CD2 3.29Å; I206-H267 CarbonylContact C-O 3.58Å; I206-H267 WeakPolarHBondContact CA-O 3.23Å; I207-H267 PolarHBondContact N-O 2.85Å; V263-H267 PolarHBondContact O-ND1 2.8Å; L264-H267 CarbonylContact O-C 3.58Å; L264-H267 WeakPolarHBondContact O-CA 3.48Å; L264-H267 PolarHBondContact O-N 2.97Å; N265-H267 PolarHBondContact O-N 3.18Å; N265-H267 VanDerWaalsContact O-N 3.11Å; H267-R285 PolarHBondContact NE2-NH2 3Å |
| 268 | T | 91.6 | Very high | 87.6 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -96.9 | 137.9 | 178.2 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | I207 H209 K214 L264 N265 I284 | I207-T268 CarbonylContact O-C 3.56Å; I207-T268 WeakPolarHBondContact O-CA 3.32Å; H209-T268 HydrophobicContact CB-CG2 4.03Å; K214-T268 HydrophobicContact CD-CG2 4.43Å; K214-T268 WeakPolarHBondContact CE-OG1 3.34Å; K214-T268 HydrophobicContact CG-CG2 4.27Å; L264-T268 PolarHBondContact O-N 3.31Å; L264-T268 PolarHBondContact O-OG1 3.38Å; N265-T268 PolarHBondContact O-N 2.88Å; T268-I284 VanDerWaalsContact O-CG2 3.27Å; T268-I284 WeakPolarHBondContact O-CG2 3.48Å |
| 269 | T | 90.8 | Very high | 87.2 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | trans | -64.4 | 156.5 | 171.8 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | T202 I206 I207 L208 H209 V277 I278 | T202-T269 HydrophobicContact CG2-CG2 4.15Å; I206-T269 HydrophobicContact CG2-CG2 3.54Å; I207-T269 PolarHBondContact O-N 3.49Å; L208-T269 HydrophobicContact CD2-CG2 4.25Å; H209-T269 PolarHBondContact N-OG1 3.07Å; H209-T269 PolarHBondContact ND1-OG1 3.39Å; T269-V277 HydrophobicContact CG2-CG1 4.34Å; T269-I278 WeakPolarHBondContact CB-O 3.17Å | ||
| 270 | F | 87.3 | Confident | 87 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 22% | 0.219 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 158 | 170.6 | 73.1 | -82.9 | 0 | 0 | 0 | 111.5 | I278 L283 I284 N287 | F270-I278 HydrophobicContact CD1-CB 4.25Å; F270-I278 HydrophobicContact CD1-CG2 4.3Å; F270-I278 HydrophobicContact CD2-CD1 4.4Å; F270-I278 HydrophobicContact CE1-CB 3.92Å; F270-I278 HydrophobicContact CE1-CD1 4.22Å; F270-I278 HydrophobicContact CE1-CG2 3.63Å; F270-I278 HydrophobicContact CE2-CD1 3.59Å; F270-I278 HydrophobicContact CZ-CB 4.08Å; F270-I278 HydrophobicContact CZ-CD1 3.48Å; F270-I278 VanDerWaalsContact CZ-CD1 3.48Å; F270-I278 HydrophobicContact CZ-CG1 4.37Å; F270-I278 HydrophobicContact CZ-CG2 3.98Å; F270-I278 PolarHBondContact O-N 2.88Å; F270-L283 HydrophobicContact CZ-CG 4.4Å; F270-I284 HydrophobicContact CD1-CG1 3.96Å; F270-I284 HydrophobicContact CE1-CG1 4.09Å; F270-N287 WeakPolarHBondContact CD2-ND2 3.25Å; F270-N287 HydrophobicContact CE1-CB 4.01Å; F270-N287 VanDerWaalsContact CE2-ND2 3.27Å; F270-N287 WeakPolarHBondContact CE2-ND2 3.37Å; F270-N287 HydrophobicContact CZ-CB 3.93Å; F270-N287 WeakPolarHBondContact CZ-ND2 3.27Å |
| 271 | V | 86.5 | Confident | 86.8 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.3 | 175.1 | -172 | 0 | 0 | 0 | 0 | 108.3 | H209 E276 V277 | H209-V271 WeakPolarHBondContact NE2-CG2 3.16Å; V271-E276 CarbonylContact C-O 3.25Å; V271-E276 WeakPolarHBondContact CA-O 3.24Å; V271-V277 HydrophobicContact CG2-CG2 4.4Å |
| 272 | G | 81.4 | Confident | 86.6 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 11% | 0.113 | 32% | 0.316 | C | S | . | . | trans | -76.4 | 168.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G274 G275 E276 | G272-G274 PolarHBondContact O-N 2.92Å; G272-G274 VanDerWaalsContact O-N 3.12Å; G272-G275 PolarHBondContact O-N 2.96Å; G272-E276 PolarHBondContact N-O 3.48Å | ||
| 273 | P | 78.3 | Confident | 86.5 | Confident | 151 Ų | 151 | 57.6 Ų | 57.6 | 98% | 0.981 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.5 | 179 | 25.9 | -34.7 | 0 | 0 | 0 | 114.1 | G275 | P273-G275 VanDerWaalsContact C-N 3.3Š|
| 274 | G | 73.4 | Confident | 86.4 | Confident | 58 Ų | 58 | 54 Ų | 54 | 60% | 0.598 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G272 E276 | G272-G274 PolarHBondContact O-N 2.92Å; G272-G274 VanDerWaalsContact O-N 3.12Å; G274-E276 PolarHBondContact O-N 3.29Å |
| 275 | G | 72.8 | Confident | 86.4 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 78.7 | -5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | G7 L8 G272 P273 | G7-G275 CarbonylContact C-O 3.58Å; G7-G275 WeakPolarHBondContact CA-O 3.35Å; L8-G275 PolarHBondContact N-O 3.45Å; G272-G275 PolarHBondContact O-N 2.96Å; P273-G275 VanDerWaalsContact C-N 3.3Å |
| 276 | E | 80.1 | Confident | 86.4 | Confident | 138 Ų | 138 | 63 Ų | 63 | 65% | 0.645 | 35% | 0.346 | S | S | * | . | trans | -68.6 | 146.7 | 175.3 | -63.2 | 177.1 | 179.3 | 0 | 0 | 112 | V271 G272 G274 | V271-E276 CarbonylContact C-O 3.25Å; V271-E276 WeakPolarHBondContact CA-O 3.24Å; G272-E276 PolarHBondContact N-O 3.48Å; G274-E276 PolarHBondContact O-N 3.29Å | ||
| 277 | V | 85.1 | Confident | 86.3 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 112.8 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | V9 T269 V271 | V9-V277 HydrophobicContact CG2-CB 3.97Å; V9-V277 HydrophobicContact CG2-CG2 3.35Å; T269-V277 HydrophobicContact CG2-CG1 4.34Å; V271-V277 HydrophobicContact CG2-CG2 4.4Å |
| 278 | I | 86 | Confident | 86.3 | Confident | 37 Ų | 37 | 62 Ų | 62 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.8 | -176.4 | -69 | 166.2 | 0 | 0 | 0 | 109.8 | T269 F270 L283 I284 | T269-I278 WeakPolarHBondContact CB-O 3.17Å; F270-I278 HydrophobicContact CD1-CB 4.25Å; F270-I278 HydrophobicContact CD1-CG2 4.3Å; F270-I278 HydrophobicContact CD2-CD1 4.4Å; F270-I278 HydrophobicContact CE1-CB 3.92Å; F270-I278 HydrophobicContact CE1-CD1 4.22Å; F270-I278 HydrophobicContact CE1-CG2 3.63Å; F270-I278 HydrophobicContact CE2-CD1 3.59Å; F270-I278 HydrophobicContact CZ-CB 4.08Å; F270-I278 HydrophobicContact CZ-CD1 3.48Å; F270-I278 VanDerWaalsContact CZ-CD1 3.48Å; F270-I278 HydrophobicContact CZ-CG1 4.37Å; F270-I278 HydrophobicContact CZ-CG2 3.98Å; F270-I278 PolarHBondContact O-N 2.88Å; I278-L283 HydrophobicContact CD1-CD2 4.18Å; I278-L283 HydrophobicContact CG2-CB 4.16Å; I278-L283 HydrophobicContact CG2-CD2 3.74Å; I278-L283 HydrophobicContact CG2-CG 3.97Å; I278-I284 HydrophobicContact CG2-CG1 4.46Å |
| 279 | S | 85 | Confident | 86.3 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | trans | -119.4 | 3.3 | -176 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | I206 P281 | I206-S279 VanDerWaalsContact CD1-O 3.25Å; I206-S279 WeakPolarHBondContact CD1-O 3.49Å; S279-P281 WeakPolarHBondContact O-CD 3.36Å | ||
| 280 | D | 87.3 | Confident | 86.4 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | trans | -76.4 | 118.4 | 173.6 | -179.1 | -13.6 | 0 | 0 | 0 | 110.2 | K282 L283 I284 | D280-K282 PolarHBondContact O-N 3.45Å; D280-K282 WeakPolarHBondContact OD1-CB 3.42Å; D280-K282 PolarHBondContact OD1-N 3.44Å; D280-L283 HydrophobicContact CB-CB 4.11Å; D280-L283 PolarHBondContact O-N 2.85Å; D280-I284 WeakPolarHBondContact O-CG1 3.25Å; D280-I284 PolarHBondContact O-N 2.77Å | ||
| 281 | P | 88.9 | Confident | 86.3 | Confident | 44 Ų | 44 | 75.5 Ų | 75.5 | 29% | 0.286 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -30.3 | 179.2 | 23 | -31.6 | 0 | 0 | 0 | 113.3 | I206 S279 R285 | I206-P281 HydrophobicContact CD1-CB 3.89Å; I206-P281 HydrophobicContact CD1-CG 4.21Å; S279-P281 WeakPolarHBondContact O-CD 3.36Å; P281-R285 VanDerWaalsContact O-CB 3.27Å; P281-R285 WeakPolarHBondContact O-CB 3.37Å; P281-R285 VanDerWaalsContact O-CD 3.24Å; P281-R285 WeakPolarHBondContact O-CD 3.49Å; P281-R285 WeakPolarHBondContact O-CG 3.38Å; P281-R285 PolarHBondContact O-N 2.87Å |
| 282 | K | 90.3 | Very high | 86.5 | Confident | 169 Ų | 169 | 76.8 Ų | 76.8 | 74% | 0.735 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.5 | -44.8 | 177.5 | -64.4 | -178.8 | 179.8 | 178.8 | 0 | 110.8 | D280 R285 M286 | D280-K282 PolarHBondContact O-N 3.45Å; D280-K282 WeakPolarHBondContact OD1-CB 3.42Å; D280-K282 PolarHBondContact OD1-N 3.44Å; K282-R285 PolarHBondContact O-N 2.97Å; K282-M286 VanDerWaalsContact O-CB 3.32Å; K282-M286 WeakPolarHBondContact O-CB 3.39Å; K282-M286 PolarHBondContact O-N 2.94Å |
| 283 | L | 89.6 | Confident | 87 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 36% | 0.356 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.3 | -39.3 | -179.3 | -172 | 53.1 | 0 | 0 | 0 | 111.7 | F270 I278 D280 M286 N287 | F270-L283 HydrophobicContact CZ-CG 4.4Å; I278-L283 HydrophobicContact CD1-CD2 4.18Å; I278-L283 HydrophobicContact CG2-CB 4.16Å; I278-L283 HydrophobicContact CG2-CD2 3.74Å; I278-L283 HydrophobicContact CG2-CG 3.97Å; D280-L283 HydrophobicContact CB-CB 4.11Å; D280-L283 PolarHBondContact O-N 2.85Å; L283-M286 HydrophobicContact CD1-CE 4.01Å; L283-N287 VanDerWaalsContact O-CB 3.23Å; L283-N287 WeakPolarHBondContact O-CB 3.46Å; L283-N287 PolarHBondContact O-N 3.26Å |
| 284 | I | 91.5 | Very high | 87.6 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56 | -54.6 | 170.5 | -69.7 | 161.9 | 0 | 0 | 0 | 110.6 | I206 T268 F270 I278 D280 M286 N287 Y288 | I206-I284 HydrophobicContact CD1-CD1 4.01Å; I206-I284 HydrophobicContact CG2-CD1 4.3Å; T268-I284 VanDerWaalsContact O-CG2 3.27Å; T268-I284 WeakPolarHBondContact O-CG2 3.48Å; F270-I284 HydrophobicContact CD1-CG1 3.96Å; F270-I284 HydrophobicContact CE1-CG1 4.09Å; I278-I284 HydrophobicContact CG2-CG1 4.46Å; D280-I284 WeakPolarHBondContact O-CG1 3.25Å; D280-I284 PolarHBondContact O-N 2.77Å; I284-M286 PolarHBondContact O-N 2.89Å; I284-N287 PolarHBondContact O-N 3.46Å; I284-Y288 PolarHBondContact O-N 2.89Å |
| 285 | R | 92.9 | Very high | 88.4 | Confident | 112 Ų | 112 | 76.6 Ų | 76.6 | 42% | 0.423 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | -176.8 | -69 | 166.2 | -179.4 | -173.8 | -0.8 | 112.1 | F266 H267 P281 K282 L289 | F266-R285 HydrophobicContact CB-CG 4.49Å; F266-R285 HydrophobicContact CD1-CB 4.1Å; F266-R285 HydrophobicContact CD1-CG 3.82Å; F266-R285 HydrophobicContact CE1-CB 4.46Å; H267-R285 PolarHBondContact NE2-NH2 3Å; P281-R285 VanDerWaalsContact O-CB 3.27Å; P281-R285 WeakPolarHBondContact O-CB 3.37Å; P281-R285 VanDerWaalsContact O-CD 3.24Å; P281-R285 WeakPolarHBondContact O-CD 3.49Å; P281-R285 WeakPolarHBondContact O-CG 3.38Å; P281-R285 PolarHBondContact O-N 2.87Å; K282-R285 PolarHBondContact O-N 2.97Å; R285-L289 WeakPolarHBondContact O-CB 3.43Å; R285-L289 PolarHBondContact O-N 3.33Å |
| 286 | M | 90.4 | Very high | 89.2 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.6 | -39.4 | 177.7 | -173.3 | 171.7 | 66.5 | 0 | 0 | 112.5 | K282 L283 I284 K290 | K282-M286 VanDerWaalsContact O-CB 3.32Å; K282-M286 WeakPolarHBondContact O-CB 3.39Å; K282-M286 PolarHBondContact O-N 2.94Å; L283-M286 HydrophobicContact CD1-CE 4.01Å; I284-M286 PolarHBondContact O-N 2.89Å; M286-K290 WeakPolarHBondContact O-CB 3.36Å; M286-K290 PolarHBondContact O-N 3.46Å; M286-K290 VanDerWaalsContact O-N 3.07Å |
| 287 | N | 90.2 | Very high | 89.8 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 32% | 0.316 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -47.8 | 176.8 | -175 | 38.6 | 0 | 0 | 0 | 111.7 | F270 L283 I284 K290 T291 | F270-N287 WeakPolarHBondContact CD2-ND2 3.25Å; F270-N287 HydrophobicContact CE1-CB 4.01Å; F270-N287 VanDerWaalsContact CE2-ND2 3.27Å; F270-N287 WeakPolarHBondContact CE2-ND2 3.37Å; F270-N287 HydrophobicContact CZ-CB 3.93Å; F270-N287 WeakPolarHBondContact CZ-ND2 3.27Å; L283-N287 VanDerWaalsContact O-CB 3.23Å; L283-N287 WeakPolarHBondContact O-CB 3.46Å; L283-N287 PolarHBondContact O-N 3.26Å; I284-N287 PolarHBondContact O-N 3.46Å; N287-K290 PolarHBondContact O-N 3.36Å; N287-T291 WeakPolarHBondContact O-CB 3.47Å; N287-T291 WeakPolarHBondContact O-CG2 3.33Å; N287-T291 PolarHBondContact O-N 3.38Å; N287-T291 PolarHBondContact O-OG1 3.43Å |
| 288 | Y | 92 | Very high | 90 | Very high | 15 Ų | 15 | 74.6 Ų | 74.6 | 6% | 0.059 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 178.3 | 177.9 | -124.5 | 0 | 0 | 0 | 112.4 | I262 N265 F266 I284 K290 T291 W292 F293 D296 | I262-Y288 HydrophobicContact CG2-CE1 4.26Å; N265-Y288 HydrophobicContact CB-CD1 4.35Å; N265-Y288 HydrophobicContact CB-CD2 4.36Å; N265-Y288 HydrophobicContact CB-CE1 3.87Å; N265-Y288 HydrophobicContact CB-CE2 3.89Å; F266-Y288 AromaticContact CD1-CD1 3.56Å; F266-Y288 HydrophobicContact CD1-CD1 3.56Å; F266-Y288 HydrophobicContact CD1-CE1 4.16Å; F266-Y288 HydrophobicContact CD2-CD1 4.12Å; F266-Y288 AromaticContact CD2-CE1 3.86Å; F266-Y288 HydrophobicContact CD2-CE1 3.86Å; F266-Y288 AromaticContact CE1-CD1 3.57Å; F266-Y288 HydrophobicContact CE1-CD1 3.57Å; F266-Y288 HydrophobicContact CE1-CE1 4.13Å; F266-Y288 HydrophobicContact CE2-CD1 4.12Å; F266-Y288 AromaticContact CE2-CE1 3.82Å; F266-Y288 HydrophobicContact CE2-CE1 3.82Å; F266-Y288 AromaticContact CG-CD1 3.85Å; F266-Y288 HydrophobicContact CG-CD1 3.85Å; F266-Y288 HydrophobicContact CG-CE1 4.04Å; F266-Y288 AromaticContact CZ-CD1 3.86Å; F266-Y288 HydrophobicContact CZ-CD1 3.86Å; F266-Y288 AromaticContact CZ-CE1 3.96Å; F266-Y288 HydrophobicContact CZ-CE1 3.96Å; I284-Y288 PolarHBondContact O-N 2.89Å; Y288-K290 VanDerWaalsContact C-N 3.34Å; Y288-K290 PolarHBondContact O-N 3.32Å; Y288-T291 PolarHBondContact O-N 2.89Å; Y288-T291 PolarHBondContact O-OG1 3.14Å; Y288-W292 HydrophobicContact CD2-CB 4.07Å; Y288-W292 HydrophobicContact CE2-CB 3.9Å; Y288-W292 PolarHBondContact O-N 3.21Å; Y288-W292 VanDerWaalsContact O-N 3.07Å; Y288-F293 HydrophobicContact CD1-CB 4.26Å; Y288-F293 HydrophobicContact CE1-CB 4.16Å; Y288-F293 HydrophobicContact CE1-CD2 4.04Å; Y288-F293 WeakPolarHBondContact O-CB 3.23Å; Y288-F293 PolarHBondContact O-N 3.43Å; Y288-D296 WeakPolarHBondContact OH-CB 3.32Å; Y288-D296 PolarHBondContact OH-OD2 3.31Å |
| 289 | L | 93.3 | Very high | 90.1 | Very high | 100 Ų | 100 | 72.9 Ų | 72.9 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.1 | -39 | 176.3 | -169.3 | 148.8 | 0 | 0 | 0 | 112.4 | R285 F293 | R285-L289 WeakPolarHBondContact O-CB 3.43Å; R285-L289 PolarHBondContact O-N 3.33Å; L289-F293 HydrophobicContact CG-CD1 4.09Å |
| 290 | K | 91.4 | Very high | 90.2 | Very high | 183 Ų | 183 | 71 Ų | 71 | 80% | 0.796 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.9 | -23.7 | 177.3 | -176.3 | 174.4 | 178.5 | -177.9 | 0 | 113.9 | M286 N287 Y288 | M286-K290 WeakPolarHBondContact O-CB 3.36Å; M286-K290 PolarHBondContact O-N 3.46Å; M286-K290 VanDerWaalsContact O-N 3.07Å; N287-K290 PolarHBondContact O-N 3.36Å; Y288-K290 VanDerWaalsContact C-N 3.34Å; Y288-K290 PolarHBondContact O-N 3.32Å |
| 291 | T | 87.1 | Confident | 90.1 | Very high | 67 Ų | 67 | 70.1 Ų | 70.1 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -111.4 | -61.1 | -166.1 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | N287 Y288 | N287-T291 WeakPolarHBondContact O-CB 3.47Å; N287-T291 WeakPolarHBondContact O-CG2 3.33Å; N287-T291 PolarHBondContact O-N 3.38Å; N287-T291 PolarHBondContact O-OG1 3.43Å; Y288-T291 PolarHBondContact O-N 2.89Å; Y288-T291 PolarHBondContact O-OG1 3.14Å |
| 292 | W | 89.1 | Confident | 89.7 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -19.3 | -166.9 | -68.4 | 96.6 | 0 | 0 | 0 | 114.3 | Y288 V294 I295 D296 R336 | Y288-W292 HydrophobicContact CD2-CB 4.07Å; Y288-W292 HydrophobicContact CE2-CB 3.9Å; Y288-W292 PolarHBondContact O-N 3.21Å; Y288-W292 VanDerWaalsContact O-N 3.07Å; W292-V294 VanDerWaalsContact C-N 3.33Å; W292-V294 PolarHBondContact O-N 2.85Å; W292-I295 HydrophobicContact CE3-CD1 4.19Å; W292-I295 HydrophobicContact CZ3-CD1 4.34Å; W292-I295 PolarHBondContact O-N 2.94Å; W292-D296 WeakPolarHBondContact O-CB 3.46Å; W292-D296 PolarHBondContact O-N 3.29Å; W292-R336 HydrophobicContact CD2-CG 3.82Å; W292-R336 VanDerWaalsContact CE2-CG 3.47Å; W292-R336 HydrophobicContact CE3-CG 4.22Å; W292-R336 HydrophobicContact CG-CG 4.38Å; W292-R336 HydrophobicContact CH2-CG 4.02Å; W292-R336 HydrophobicContact CZ2-CG 3.59Å; W292-R336 HydrophobicContact CZ3-CG 4.32Å |
| 293 | F | 92.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54 | -42.9 | -175.3 | 173 | -116.3 | 0 | 0 | 0 | 114 | I262 F266 Y288 L289 I295 D296 L297 | I262-F293 HydrophobicContact CG2-CD2 4.19Å; I262-F293 HydrophobicContact CG2-CE2 4.12Å; F266-F293 AromaticContact CE2-CD2 3.63Å; F266-F293 HydrophobicContact CE2-CD2 3.63Å; F266-F293 AromaticContact CE2-CE2 3.59Å; F266-F293 HydrophobicContact CE2-CE2 3.59Å; F266-F293 HydrophobicContact CE2-CZ 4.46Å; F266-F293 AromaticContact CZ-CD2 3.46Å; F266-F293 HydrophobicContact CZ-CD2 3.46Å; F266-F293 VanDerWaalsContact CZ-CD2 3.46Å; F266-F293 AromaticContact CZ-CE2 3.62Å; F266-F293 HydrophobicContact CZ-CE2 3.62Å; F266-F293 AromaticContact CZ-CG 3.96Å; F266-F293 HydrophobicContact CZ-CG 3.96Å; F266-F293 HydrophobicContact CZ-CZ 4.22Å; Y288-F293 HydrophobicContact CD1-CB 4.26Å; Y288-F293 HydrophobicContact CE1-CB 4.16Å; Y288-F293 HydrophobicContact CE1-CD2 4.04Å; Y288-F293 WeakPolarHBondContact O-CB 3.23Å; Y288-F293 PolarHBondContact O-N 3.43Å; L289-F293 HydrophobicContact CG-CD1 4.09Å; F293-I295 PolarHBondContact O-N 3.45Å; F293-D296 PolarHBondContact O-N 3Å; F293-L297 HydrophobicContact CE1-CD2 4.17Å; F293-L297 HydrophobicContact CE2-CB 4.23Å; F293-L297 HydrophobicContact CE2-CD2 4.4Å; F293-L297 HydrophobicContact CZ-CB 4.43Å; F293-L297 HydrophobicContact CZ-CD2 3.82Å; F293-L297 WeakPolarHBondContact O-CB 3.43Å; F293-L297 PolarHBondContact O-N 3.17Å |
| 294 | V | 91.1 | Very high | 88.4 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 62% | 0.624 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | -177.3 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | W292 L298 | W292-V294 VanDerWaalsContact C-N 3.33Å; W292-V294 PolarHBondContact O-N 2.85Å; V294-L298 WeakPolarHBondContact O-CB 3.25Å; V294-L298 PolarHBondContact O-N 2.79Å |
| 295 | I | 90.1 | Very high | 87.7 | Confident | 66 Ų | 66 | 63 Ų | 63 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 177.1 | -57.1 | 172.2 | 0 | 0 | 0 | 109.6 | W292 F293 L297 L298 S299 L329 | W292-I295 HydrophobicContact CE3-CD1 4.19Å; W292-I295 HydrophobicContact CZ3-CD1 4.34Å; W292-I295 PolarHBondContact O-N 2.94Å; F293-I295 PolarHBondContact O-N 3.45Å; I295-L297 PolarHBondContact O-N 3.44Å; I295-L298 PolarHBondContact O-N 3.31Å; I295-S299 VanDerWaalsContact O-CB 3.26Å; I295-S299 WeakPolarHBondContact O-CB 3.37Å; I295-S299 PolarHBondContact O-N 3.32Å; I295-S299 PolarHBondContact O-OG 2.77Å; I295-L329 HydrophobicContact CG2-CB 4.03Å; I295-L329 HydrophobicContact CG2-CD1 4.46Å |
| 296 | D | 90.9 | Very high | 86.8 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 179 | -86.5 | 17 | 0 | 0 | 0 | 111.9 | I262 Y288 W292 F293 S299 C300 R333 R336 | I262-D296 HydrophobicContact CD1-CB 4.14Å; I262-D296 HydrophobicContact CG1-CB 4.08Å; Y288-D296 WeakPolarHBondContact OH-CB 3.32Å; Y288-D296 PolarHBondContact OH-OD2 3.31Å; W292-D296 WeakPolarHBondContact O-CB 3.46Å; W292-D296 PolarHBondContact O-N 3.29Å; F293-D296 PolarHBondContact O-N 3Å; D296-S299 PolarHBondContact O-N 3.39Å; D296-S299 PolarHBondContact O-OG 3.37Å; D296-C300 PolarHBondContact O-N 2.87Å; D296-R333 VanDerWaalsContact CG-CZ 3.46Å; D296-R333 VanDerWaalsContact CG-NH1 3.28Å; D296-R333 PolarHBondContact O-NH2 3.01Å; D296-R333 IonicContact OD1-CZ 3.65Å; D296-R333 IonicContact OD1-NH1 2.62Å; D296-R333 IonicContact OD1-NH2 2.74Å; D296-R333 IonicContact OD2-CZ 3.29Å; D296-R333 IonicContact OD2-NH1 2.77Å; D296-R333 PolarHBondContact OD2-NH1 2.85Å; D296-R333 IonicContact OD2-NH2 3.8Å; D296-R336 IonicContact OD1-CZ 2.66Å; D296-R336 IonicContact OD1-NH2 3.22Å; D296-R336 PolarHBondContact OD1-NH2 3.49Å; D296-R336 IonicContact OD2-CZ 2.72Å; D296-R336 IonicContact OD2-NH2 3.27Å; D296-R336 PolarHBondContact OD2-NH2 2.96Å |
| 297 | L | 90.6 | Very high | 85.9 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -50.7 | 179.7 | 176.9 | 66.5 | 0 | 0 | 0 | 111.7 | F293 I295 S299 C300 | F293-L297 HydrophobicContact CE1-CD2 4.17Å; F293-L297 HydrophobicContact CE2-CB 4.23Å; F293-L297 HydrophobicContact CE2-CD2 4.4Å; F293-L297 HydrophobicContact CZ-CB 4.43Å; F293-L297 HydrophobicContact CZ-CD2 3.82Å; F293-L297 WeakPolarHBondContact O-CB 3.43Å; F293-L297 PolarHBondContact O-N 3.17Å; I295-L297 PolarHBondContact O-N 3.44Å; L297-S299 PolarHBondContact O-N 3.18Å; L297-C300 PolarHBondContact O-N 2.91Å; L297-C300 PolarHBondContact O-SG 3.1Å |
| 298 | L | 89.5 | Confident | 84.9 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 44% | 0.44 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -36.3 | 178.7 | -165.1 | 76.6 | 0 | 0 | 0 | 110.7 | V294 I295 C300 L301 V326 L329 | V294-L298 WeakPolarHBondContact O-CB 3.25Å; V294-L298 PolarHBondContact O-N 2.79Å; I295-L298 PolarHBondContact O-N 3.31Å; L298-C300 VanDerWaalsContact C-N 3.29Å; L298-C300 PolarHBondContact O-N 2.99Å; L298-L301 HydrophobicContact CD1-CD1 4.28Å; L298-V326 HydrophobicContact CD2-CG1 3.83Å; L298-V326 HydrophobicContact CG-CG1 3.76Å; L298-L329 HydrophobicContact CD2-CD1 4.17Å |
| 299 | S | 88.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.5 | -18.6 | 177.4 | 84.6 | 0 | 0 | 0 | 0 | 114.6 | I295 D296 L297 R330 | I295-S299 VanDerWaalsContact O-CB 3.26Å; I295-S299 WeakPolarHBondContact O-CB 3.37Å; I295-S299 PolarHBondContact O-N 3.32Å; I295-S299 PolarHBondContact O-OG 2.77Å; D296-S299 PolarHBondContact O-N 3.39Å; D296-S299 PolarHBondContact O-OG 3.37Å; L297-S299 PolarHBondContact O-N 3.18Å; S299-R330 PolarHBondContact O-NE 3.35Å; S299-R330 PolarHBondContact O-NH2 2.72Å |
| 300 | C | 87 | Confident | 82.5 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.054 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 6.2 | -173.3 | 84.4 | 0 | 0 | 0 | 0 | 114.8 | F258 I262 D296 L297 L298 | F258-C300 HydrophobicContact CB-CB 4.33Å; I262-C300 HydrophobicContact CD1-CB 4.01Å; I262-C300 WeakPolarHBondContact CD1-SG 3.36Å; D296-C300 PolarHBondContact O-N 2.87Å; L297-C300 PolarHBondContact O-N 2.91Å; L297-C300 PolarHBondContact O-SG 3.1Å; L298-C300 VanDerWaalsContact C-N 3.29Å; L298-C300 PolarHBondContact O-N 2.99Å |
| 301 | L | 84.8 | Confident | 81.1 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 32% | 0.319 | 34% | 0.344 | S | S | . | . | trans | -68.6 | 128.6 | 179.6 | -65.8 | 175.9 | 0 | 0 | 0 | 111 | L298 Y303 | L298-L301 HydrophobicContact CD1-CD1 4.28Å; L301-Y303 VanDerWaalsContact C-N 3.29Å; L301-Y303 HydrophobicContact CB-CD1 4.5Å; L301-Y303 HydrophobicContact CB-CD2 4.44Å; L301-Y303 HydrophobicContact CB-CE1 4.04Å; L301-Y303 HydrophobicContact CB-CE2 3.98Å; L301-Y303 HydrophobicContact CD1-CE1 4.24Å; L301-Y303 VanDerWaalsContact O-CD2 3.23Å; L301-Y303 WeakPolarHBondContact O-CD2 3.44Å; L301-Y303 PolarHBondContact O-N 2.83Å | ||
| 302 | P | 82.1 | Confident | 79.8 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | trans | -83.8 | 69.6 | -176.4 | 34.7 | -36.4 | 0 | 0 | 0 | 111.2 | D304 I305 I306 | P302-D304 PolarHBondContact O-N 2.67Å; P302-I305 HydrophobicContact CB-CB 4.24Å; P302-I305 HydrophobicContact CB-CD1 3.92Å; P302-I305 HydrophobicContact CB-CG1 4.1Å; P302-I305 PolarHBondContact O-N 2.98Å; P302-I306 PolarHBondContact O-N 3.29Å | ||
| 303 | Y | 79.1 | Confident | 78.9 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 6% | 0.059 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54 | -36.4 | -176 | -60.6 | -72.4 | 0 | 0 | 0 | 113.7 | L301 I305 I306 N307 L323 V326 | L301-Y303 VanDerWaalsContact C-N 3.29Å; L301-Y303 HydrophobicContact CB-CD1 4.5Å; L301-Y303 HydrophobicContact CB-CD2 4.44Å; L301-Y303 HydrophobicContact CB-CE1 4.04Å; L301-Y303 HydrophobicContact CB-CE2 3.98Å; L301-Y303 HydrophobicContact CD1-CE1 4.24Å; L301-Y303 VanDerWaalsContact O-CD2 3.23Å; L301-Y303 WeakPolarHBondContact O-CD2 3.44Å; L301-Y303 PolarHBondContact O-N 2.83Å; Y303-I305 VanDerWaalsContact C-N 3.29Å; Y303-I305 PolarHBondContact O-N 3.41Å; Y303-I306 PolarHBondContact O-N 2.92Å; Y303-N307 WeakPolarHBondContact O-CB 3.2Å; Y303-N307 PolarHBondContact O-N 2.95Å; Y303-N307 VanDerWaalsContact O-N 3.09Å; Y303-L323 HydrophobicContact CD1-CB 4.24Å; Y303-L323 HydrophobicContact CE1-CB 4.16Å; Y303-L323 HydrophobicContact CE1-CD1 4.29Å; Y303-V326 HydrophobicContact CE2-CB 4.43Å |
| 304 | D | 73.7 | Confident | 77.6 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.053 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.9 | -34.3 | 175.8 | -67.7 | -83.8 | 0 | 0 | 0 | 113.5 | Q242 L248 P302 A308 K324 R327 | Q242-D304 PolarHBondContact NE2-OD1 2.85Å; L248-D304 HydrophobicContact CD1-CB 3.61Å; P302-D304 PolarHBondContact O-N 2.67Å; D304-A308 WeakPolarHBondContact O-CB 3.26Å; D304-A308 PolarHBondContact O-N 3.38Å; D304-K324 WeakPolarHBondContact OD1-CE 3.32Å; D304-K324 IonicContact OD1-NZ 2.75Å; D304-K324 PolarHBondContact OD1-NZ 2.78Å; D304-R327 IonicContact OD2-CZ 2.73Å; D304-R327 VanDerWaalsContact OD2-CZ 3.24Å; D304-R327 IonicContact OD2-NH1 2.78Å; D304-R327 PolarHBondContact OD2-NH1 3.22Å; D304-R327 IonicContact OD2-NH2 2.72Å; D304-R327 PolarHBondContact OD2-NH2 3.03Å |
| 305 | I | 75.6 | Confident | 76.5 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 32% | 0.323 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -75.6 | -39.5 | -179.3 | -61 | -176.3 | 0 | 0 | 0 | 110.2 | P302 Y303 A308 F309 | P302-I305 HydrophobicContact CB-CB 4.24Å; P302-I305 HydrophobicContact CB-CD1 3.92Å; P302-I305 HydrophobicContact CB-CG1 4.1Å; P302-I305 PolarHBondContact O-N 2.98Å; Y303-I305 VanDerWaalsContact C-N 3.29Å; Y303-I305 PolarHBondContact O-N 3.41Å; I305-A308 PolarHBondContact O-N 2.86Å; I305-A308 VanDerWaalsContact O-N 3.17Å; I305-F309 HydrophobicContact CG2-CD2 3.7Å; I305-F309 HydrophobicContact CG2-CE2 3.58Å; I305-F309 WeakPolarHBondContact O-CD2 3.41Å; I305-F309 PolarHBondContact O-N 2.84Å |
| 306 | I | 75.1 | Confident | 75.6 | Confident | 66 Ų | 66 | 70 Ų | 70 | 34% | 0.338 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.6 | -50.6 | 175.6 | -61.2 | 169.8 | 0 | 0 | 0 | 109.5 | P302 Y303 A308 F309 E310 F320 | P302-I306 PolarHBondContact O-N 3.29Å; Y303-I306 PolarHBondContact O-N 2.92Å; I306-A308 PolarHBondContact O-N 2.77Å; I306-A308 VanDerWaalsContact O-N 3.14Å; I306-F309 PolarHBondContact O-N 2.97Å; I306-E310 PolarHBondContact O-N 3.11Å; I306-F320 HydrophobicContact CG2-CZ 4.46Å |
| 307 | N | 70.9 | Confident | 74.6 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.8 | -12.9 | 178 | -165.7 | 93.7 | 0 | 0 | 0 | 114.4 | Y303 S317 F320 | Y303-N307 WeakPolarHBondContact O-CB 3.2Å; Y303-N307 PolarHBondContact O-N 2.95Å; Y303-N307 VanDerWaalsContact O-N 3.09Å; N307-S317 WeakPolarHBondContact OD1-CA 3.29Å; N307-S317 WeakPolarHBondContact OD1-CB 3.42Å; N307-F320 HydrophobicContact CB-CB 4.44Å |
| 308 | A | 69.3 | Low | 73.6 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 55% | 0.554 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -97.3 | -17.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | D304 I305 I306 | D304-A308 WeakPolarHBondContact O-CB 3.26Å; D304-A308 PolarHBondContact O-N 3.38Å; I305-A308 PolarHBondContact O-N 2.86Å; I305-A308 VanDerWaalsContact O-N 3.17Å; I306-A308 PolarHBondContact O-N 2.77Å; I306-A308 VanDerWaalsContact O-N 3.14Å |
| 309 | F | 68.4 | Low | 72.8 | Confident | 172 Ų | 172 | 72.7 Ų | 72.7 | 75% | 0.754 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -99.9 | -25.1 | 177.1 | -79.8 | -62.2 | 0 | 0 | 0 | 113.7 | I305 I306 | I305-F309 HydrophobicContact CG2-CD2 3.7Å; I305-F309 HydrophobicContact CG2-CE2 3.58Å; I305-F309 WeakPolarHBondContact O-CD2 3.41Å; I305-F309 PolarHBondContact O-N 2.84Å; I306-F309 PolarHBondContact O-N 2.97Å |
| 310 | E | 65.9 | Low | 72.1 | Confident | 116 Ų | 116 | 75 Ų | 75 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -103.1 | 112.1 | -177.7 | -146.2 | 177.7 | -165.8 | 0 | 0 | 109.8 | I306 V312 | I306-E310 PolarHBondContact O-N 3.11Å; E310-V312 HydrophobicContact CB-CG2 3.68Å; E310-V312 HydrophobicContact CG-CG2 3.51Å; E310-V312 PolarHBondContact O-N 2.88Å |
| 311 | N | 61.8 | Low | 71.4 | Confident | 172 Ų | 172 | 76.9 Ų | 76.9 | 92% | 0.92 | 42% | 0.424 | S | S | * | . | trans | -76.9 | 65.7 | 179 | -70.4 | -40.8 | 0 | 0 | 0 | 110.8 | ||||
| 312 | V | 60.4 | Low | 71 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 30% | 0.297 | 43% | 0.432 | S | S | . | . | trans | -91.8 | 154.8 | -176.4 | -153.9 | 0 | 0 | 0 | 0 | 111.7 | E310 I316 | E310-V312 HydrophobicContact CB-CG2 3.68Å; E310-V312 HydrophobicContact CG-CG2 3.51Å; E310-V312 PolarHBondContact O-N 2.88Å; V312-I316 HydrophobicContact CB-CB 4.37Å; V312-I316 HydrophobicContact CB-CG2 4.22Å; V312-I316 HydrophobicContact CG1-CB 3.75Å; V312-I316 HydrophobicContact CG1-CD1 3.56Å; V312-I316 HydrophobicContact CG1-CG1 4.23Å; V312-I316 HydrophobicContact CG1-CG2 3.74Å | ||
| 313 | D | 69.2 | Low | 71 | Confident | 125 Ų | 125 | 78.6 Ų | 78.6 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | trans | -48 | 145.1 | 176.1 | -55.9 | -58.6 | 0 | 0 | 0 | 113.4 | G315 I316 S317 | D313-G315 PolarHBondContact O-N 3.3Å; D313-I316 PolarHBondContact O-N 3.44Å; D313-S317 PolarHBondContact O-N 3.27Å | ||
| 314 | E | 65.7 | Low | 71.1 | Confident | 174 Ų | 174 | 79.1 Ų | 79.1 | 81% | 0.813 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -55.2 | -32.3 | -175.3 | -62.5 | -174.3 | 127.6 | 0 | 0 | 113.7 | I316 S317 S318 | E314-I316 VanDerWaalsContact C-N 3.34Å; E314-I316 PolarHBondContact O-N 2.9Å; E314-S317 PolarHBondContact O-N 2.93Å; E314-S317 PolarHBondContact O-OG 3.03Å; E314-S317 VanDerWaalsContact O-OG 3.04Å; E314-S318 PolarHBondContact O-N 3.45Å |
| 315 | G | 67.1 | Low | 71.7 | Confident | 47 Ų | 47 | 82 Ų | 82 | 49% | 0.485 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D313 S318 L319 | D313-G315 PolarHBondContact O-N 3.3Å; G315-S318 PolarHBondContact O-OG 3.04Å; G315-L319 WeakPolarHBondContact O-CG 3.46Å; G315-L319 PolarHBondContact O-N 3.46Å |
| 316 | I | 71.4 | Confident | 72.3 | Confident | 71 Ų | 71 | 80.6 Ų | 80.6 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -76.2 | -35.9 | -179.2 | -68.2 | 166.8 | 0 | 0 | 0 | 110.9 | V312 D313 E314 S318 L319 F320 | V312-I316 HydrophobicContact CB-CB 4.37Å; V312-I316 HydrophobicContact CB-CG2 4.22Å; V312-I316 HydrophobicContact CG1-CB 3.75Å; V312-I316 HydrophobicContact CG1-CD1 3.56Å; V312-I316 HydrophobicContact CG1-CG1 4.23Å; V312-I316 HydrophobicContact CG1-CG2 3.74Å; D313-I316 PolarHBondContact O-N 3.44Å; E314-I316 VanDerWaalsContact C-N 3.34Å; E314-I316 PolarHBondContact O-N 2.9Å; I316-S318 VanDerWaalsContact C-N 3.3Å; I316-S318 PolarHBondContact O-N 2.96Å; I316-L319 PolarHBondContact O-N 3.25Å; I316-F320 HydrophobicContact CG2-CD2 3.72Å; I316-F320 HydrophobicContact CG2-CE2 3.52Å; I316-F320 WeakPolarHBondContact O-CD2 3.46Å; I316-F320 PolarHBondContact O-N 2.88Å |
| 317 | S | 69.8 | Low | 73 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 26% | 0.259 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.5 | -33.2 | 174.8 | 73.1 | 0 | 0 | 0 | 0 | 112.7 | N307 D313 E314 L319 F320 S321 | N307-S317 WeakPolarHBondContact OD1-CA 3.29Å; N307-S317 WeakPolarHBondContact OD1-CB 3.42Å; D313-S317 PolarHBondContact O-N 3.27Å; E314-S317 PolarHBondContact O-N 2.93Å; E314-S317 PolarHBondContact O-OG 3.03Å; E314-S317 VanDerWaalsContact O-OG 3.04Å; S317-L319 VanDerWaalsContact C-N 3.35Å; S317-L319 PolarHBondContact O-N 3.49Å; S317-F320 PolarHBondContact O-N 3.26Å; S317-S321 PolarHBondContact O-N 3.1Å |
| 318 | S | 71.3 | Confident | 73.8 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 172.3 | 83.8 | 0 | 0 | 0 | 0 | 112.8 | E314 G315 I316 S321 S322 | E314-S318 PolarHBondContact O-N 3.45Å; G315-S318 PolarHBondContact O-OG 3.04Å; I316-S318 VanDerWaalsContact C-N 3.3Å; I316-S318 PolarHBondContact O-N 2.96Å; S318-S321 PolarHBondContact O-N 3.26Å; S318-S322 PolarHBondContact O-N 3.24Å; S318-S322 PolarHBondContact O-OG 3.07Å |
| 319 | L | 71.8 | Confident | 74.8 | Confident | 109 Ų | 109 | 77.6 Ų | 77.6 | 57% | 0.571 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.6 | -42.6 | 175.8 | -65.2 | 172 | 0 | 0 | 0 | 111.4 | G315 I316 S317 S321 S322 L323 | G315-L319 WeakPolarHBondContact O-CG 3.46Å; G315-L319 PolarHBondContact O-N 3.46Å; I316-L319 PolarHBondContact O-N 3.25Å; S317-L319 VanDerWaalsContact C-N 3.35Å; S317-L319 PolarHBondContact O-N 3.49Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 2.93Å; L319-S322 WeakPolarHBondContact O-CB 3.49Å; L319-S322 PolarHBondContact O-N 2.79Å; L319-S322 VanDerWaalsContact O-N 3.12Å; L319-L323 PolarHBondContact O-N 2.88Å |
| 320 | F | 73.9 | Confident | 75.7 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 21% | 0.211 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64 | -35 | 173.7 | -79.9 | -60.4 | 0 | 0 | 0 | 113 | I306 N307 I316 S317 S322 L323 | I306-F320 HydrophobicContact CG2-CZ 4.46Å; N307-F320 HydrophobicContact CB-CB 4.44Å; I316-F320 HydrophobicContact CG2-CD2 3.72Å; I316-F320 HydrophobicContact CG2-CE2 3.52Å; I316-F320 WeakPolarHBondContact O-CD2 3.46Å; I316-F320 PolarHBondContact O-N 2.88Å; S317-F320 PolarHBondContact O-N 3.26Å; F320-S322 VanDerWaalsContact C-N 3.34Å; F320-L323 HydrophobicContact CD1-CD1 3.96Å; F320-L323 HydrophobicContact CE1-CD1 4.35Å; F320-L323 PolarHBondContact O-N 3.19Å |
| 321 | S | 72.9 | Confident | 76.7 | Confident | 48 Ų | 48 | 66 Ų | 66 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 171.4 | -156.9 | 0 | 0 | 0 | 0 | 112 | S317 S318 L319 K324 | S317-S321 PolarHBondContact O-N 3.1Å; S318-S321 PolarHBondContact O-N 3.26Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 2.93Å; S321-K324 VanDerWaalsContact O-CB 3.25Å; S321-K324 WeakPolarHBondContact O-CB 3.34Å; S321-K324 WeakPolarHBondContact O-CD 3.38Å; S321-K324 WeakPolarHBondContact O-CG 3.45Å; S321-K324 PolarHBondContact O-N 2.95Å |
| 322 | S | 76.3 | Confident | 77.8 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 49% | 0.49 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.7 | -34.3 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | S318 L319 F320 K324 V325 | S318-S322 PolarHBondContact O-N 3.24Å; S318-S322 PolarHBondContact O-OG 3.07Å; L319-S322 WeakPolarHBondContact O-CB 3.49Å; L319-S322 PolarHBondContact O-N 2.79Å; L319-S322 VanDerWaalsContact O-N 3.12Å; F320-S322 VanDerWaalsContact C-N 3.34Å; S322-K324 PolarHBondContact O-N 3.39Å; S322-K324 VanDerWaalsContact O-N 3.09Å; S322-V325 WeakPolarHBondContact O-CG2 3.48Å; S322-V325 PolarHBondContact O-N 3.21Å |
| 323 | L | 80.9 | Confident | 78.9 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -62 | -14.7 | 175 | -74.8 | 171.5 | 0 | 0 | 0 | 113.8 | Y303 L319 F320 V325 V326 | Y303-L323 HydrophobicContact CD1-CB 4.24Å; Y303-L323 HydrophobicContact CE1-CB 4.16Å; Y303-L323 HydrophobicContact CE1-CD1 4.29Å; L319-L323 PolarHBondContact O-N 2.88Å; F320-L323 HydrophobicContact CD1-CD1 3.96Å; F320-L323 HydrophobicContact CE1-CD1 4.35Å; F320-L323 PolarHBondContact O-N 3.19Å; L323-V325 PolarHBondContact O-N 3.22Å; L323-V325 VanDerWaalsContact O-N 3.13Å; L323-V326 HydrophobicContact CD2-CG2 4.36Å; L323-V326 VanDerWaalsContact O-CB 3.24Å; L323-V326 WeakPolarHBondContact O-CB 3.26Å; L323-V326 VanDerWaalsContact O-CG2 3.26Å; L323-V326 WeakPolarHBondContact O-CG2 3.43Å; L323-V326 PolarHBondContact O-N 2.9Å |
| 324 | K | 82.8 | Confident | 79.6 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 11% | 0.109 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -56.8 | -28.3 | 174.8 | -66.3 | 173 | -179.6 | 177.5 | 0 | 113.1 | V232 V236 D304 S321 S322 V326 R327 | V232-K324 VanDerWaalsContact CG1-O 3.3Å; V232-K324 WeakPolarHBondContact CG1-O 3.5Å; V236-K324 HydrophobicContact CG2-CB 4.25Å; D304-K324 WeakPolarHBondContact OD1-CE 3.32Å; D304-K324 IonicContact OD1-NZ 2.75Å; D304-K324 PolarHBondContact OD1-NZ 2.78Å; S321-K324 VanDerWaalsContact O-CB 3.25Å; S321-K324 WeakPolarHBondContact O-CB 3.34Å; S321-K324 WeakPolarHBondContact O-CD 3.38Å; S321-K324 WeakPolarHBondContact O-CG 3.45Å; S321-K324 PolarHBondContact O-N 2.95Å; S322-K324 PolarHBondContact O-N 3.39Å; S322-K324 VanDerWaalsContact O-N 3.09Å; K324-V326 PolarHBondContact O-N 2.9Å; K324-V326 VanDerWaalsContact O-N 3.14Å; K324-R327 VanDerWaalsContact O-CB 3.26Å; K324-R327 WeakPolarHBondContact O-CB 3.28Å; K324-R327 WeakPolarHBondContact O-CG 3.29Å; K324-R327 PolarHBondContact O-N 3.17Å |
| 325 | V | 86 | Confident | 80.2 | Confident | 70 Ų | 70 | 46.3 Ų | 46.3 | 42% | 0.424 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -56.8 | -27.8 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | V236 S322 L323 R327 L328 | V236-V325 HydrophobicContact CG1-CG2 4.3Å; V236-V325 HydrophobicContact CG2-CG2 4.13Å; S322-V325 WeakPolarHBondContact O-CG2 3.48Å; S322-V325 PolarHBondContact O-N 3.21Å; L323-V325 PolarHBondContact O-N 3.22Å; L323-V325 VanDerWaalsContact O-N 3.13Å; V325-R327 PolarHBondContact O-N 3.44Å; V325-R327 VanDerWaalsContact O-N 3.15Å; V325-L328 HydrophobicContact CG1-CD1 4.17Å; V325-L328 VanDerWaalsContact O-CB 3.32Å; V325-L328 WeakPolarHBondContact O-CB 3.39Å; V325-L328 WeakPolarHBondContact O-CG 3.37Å; V325-L328 PolarHBondContact O-N 3.48Å |
| 326 | V | 88.5 | Confident | 80.7 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -60.5 | -23.9 | 175.7 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | L298 Y303 L323 K324 L328 L329 | L298-V326 HydrophobicContact CD2-CG1 3.83Å; L298-V326 HydrophobicContact CG-CG1 3.76Å; Y303-V326 HydrophobicContact CE2-CB 4.43Å; L323-V326 HydrophobicContact CD2-CG2 4.36Å; L323-V326 VanDerWaalsContact O-CB 3.24Å; L323-V326 WeakPolarHBondContact O-CB 3.26Å; L323-V326 VanDerWaalsContact O-CG2 3.26Å; L323-V326 WeakPolarHBondContact O-CG2 3.43Å; L323-V326 PolarHBondContact O-N 2.9Å; K324-V326 PolarHBondContact O-N 2.9Å; K324-V326 VanDerWaalsContact O-N 3.14Å; V326-L328 PolarHBondContact O-N 3.25Å; V326-L329 HydrophobicContact CG1-CD1 3.88Å; V326-L329 WeakPolarHBondContact O-CB 3.46Å; V326-L329 WeakPolarHBondContact O-CG 3.35Å; V326-L329 PolarHBondContact O-N 3.02Å; V326-L329 VanDerWaalsContact O-N 3.11Å |
| 327 | R | 88.8 | Confident | 80.8 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -60.2 | -22.2 | 171.8 | -66.6 | -174 | 168.2 | 130.3 | -3.3 | 112.9 | V232 D255 D304 K324 V325 L329 R330 | V232-R327 HydrophobicContact CG2-CB 3.97Å; D255-R327 IonicContact OD1-NE 3.87Å; D255-R327 IonicContact OD2-CZ 3.51Å; D255-R327 IonicContact OD2-NE 3.61Å; D255-R327 PolarHBondContact OD2-NE 3.37Å; D255-R327 IonicContact OD2-NH2 2.81Å; D255-R327 PolarHBondContact OD2-NH2 3.02Å; D304-R327 IonicContact OD2-CZ 2.73Å; D304-R327 VanDerWaalsContact OD2-CZ 3.24Å; D304-R327 IonicContact OD2-NH1 2.78Å; D304-R327 PolarHBondContact OD2-NH1 3.22Å; D304-R327 IonicContact OD2-NH2 2.72Å; D304-R327 PolarHBondContact OD2-NH2 3.03Å; K324-R327 VanDerWaalsContact O-CB 3.26Å; K324-R327 WeakPolarHBondContact O-CB 3.28Å; K324-R327 WeakPolarHBondContact O-CG 3.29Å; K324-R327 PolarHBondContact O-N 3.17Å; V325-R327 PolarHBondContact O-N 3.44Å; V325-R327 VanDerWaalsContact O-N 3.15Å; R327-L329 PolarHBondContact O-N 3.24Å; R327-R330 VanDerWaalsContact O-CB 3.28Å; R327-R330 WeakPolarHBondContact O-CB 3.3Å; R327-R330 WeakPolarHBondContact O-CD 3.35Å; R327-R330 WeakPolarHBondContact O-CG 3.49Å; R327-R330 PolarHBondContact O-N 3.48Å; R327-R330 VanDerWaalsContact O-N 3.13Å |
| 328 | L | 88.7 | Confident | 81.2 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -64.3 | -21.3 | 175.3 | -64.3 | -177.3 | 0 | 0 | 0 | 113.3 | V232 P233 V325 V326 R330 L331 W362 | V232-L328 HydrophobicContact CB-CD2 4.34Å; V232-L328 HydrophobicContact CG1-CD2 4.43Å; V232-L328 HydrophobicContact CG1-CG 4.45Å; P233-L328 HydrophobicContact CG-CD1 4.44Å; P233-L328 HydrophobicContact CG-CD2 4.17Å; V325-L328 HydrophobicContact CG1-CD1 4.17Å; V325-L328 VanDerWaalsContact O-CB 3.32Å; V325-L328 WeakPolarHBondContact O-CB 3.39Å; V325-L328 WeakPolarHBondContact O-CG 3.37Å; V325-L328 PolarHBondContact O-N 3.48Å; V326-L328 PolarHBondContact O-N 3.25Å; L328-R330 PolarHBondContact O-N 3.11Å; L328-L331 WeakPolarHBondContact O-CB 3.32Å; L328-L331 PolarHBondContact O-N 3Å; L328-W362 HydrophobicContact CD1-CZ2 4.17Å; L328-W362 HydrophobicContact CD2-CZ2 4.01Å |
| 329 | L | 89.3 | Confident | 81.3 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 40% | 0.403 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -59 | -18 | 172.9 | -64.4 | 178.7 | 0 | 0 | 0 | 113 | I295 L298 V326 R327 L331 G332 | I295-L329 HydrophobicContact CG2-CB 4.03Å; I295-L329 HydrophobicContact CG2-CD1 4.46Å; L298-L329 HydrophobicContact CD2-CD1 4.17Å; V326-L329 HydrophobicContact CG1-CD1 3.88Å; V326-L329 WeakPolarHBondContact O-CB 3.46Å; V326-L329 WeakPolarHBondContact O-CG 3.35Å; V326-L329 PolarHBondContact O-N 3.02Å; V326-L329 VanDerWaalsContact O-N 3.11Å; R327-L329 PolarHBondContact O-N 3.24Å; L329-L331 PolarHBondContact O-N 2.89Å; L329-L331 VanDerWaalsContact O-N 3.13Å; L329-G332 PolarHBondContact O-N 3.01Å |
| 330 | R | 88.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -56.3 | -24.4 | 171.8 | -65.6 | 171.8 | -168.4 | -168.6 | 3.4 | 112.8 | T225 D255 F258 S299 R327 L328 G332 R333 | T225-R330 HydrophobicContact CG2-CB 4.07Å; T225-R330 WeakPolarHBondContact CG2-O 3.32Å; D255-R330 IonicContact OD1-CZ 2.71Å; D255-R330 IonicContact OD1-NH1 2.66Å; D255-R330 PolarHBondContact OD1-NH1 3.2Å; D255-R330 IonicContact OD1-NH2 2.72Å; D255-R330 PolarHBondContact OD1-NH2 2.88Å; D255-R330 IonicContact OD2-NH2 3.76Å; F258-R330 HydrophobicContact CE1-CB 4.49Å; F258-R330 HydrophobicContact CE1-CG 4.41Å; S299-R330 PolarHBondContact O-NE 3.35Å; S299-R330 PolarHBondContact O-NH2 2.72Å; R327-R330 VanDerWaalsContact O-CB 3.28Å; R327-R330 WeakPolarHBondContact O-CB 3.3Å; R327-R330 WeakPolarHBondContact O-CD 3.35Å; R327-R330 WeakPolarHBondContact O-CG 3.49Å; R327-R330 PolarHBondContact O-N 3.48Å; R327-R330 VanDerWaalsContact O-N 3.13Å; L328-R330 PolarHBondContact O-N 3.11Å; R330-G332 PolarHBondContact O-N 3.45Å; R330-R333 VanDerWaalsContact O-CB 3.26Å; R330-R333 WeakPolarHBondContact O-CB 3.29Å; R330-R333 VanDerWaalsContact O-CG 3.29Å; R330-R333 WeakPolarHBondContact O-CG 3.41Å; R330-R333 PolarHBondContact O-N 3.11Å |
| 331 | L | 86.8 | Confident | 81.4 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -62.2 | -20.5 | 173.5 | -76.7 | 159 | 0 | 0 | 0 | 113.5 | A229 L328 L329 R333 V334 A335 L358 W362 | A229-L331 HydrophobicContact CB-CD1 4.06Å; A229-L331 HydrophobicContact CB-CD2 4.34Å; A229-L331 HydrophobicContact CB-CG 4.41Å; L328-L331 WeakPolarHBondContact O-CB 3.32Å; L328-L331 PolarHBondContact O-N 3Å; L329-L331 PolarHBondContact O-N 2.89Å; L329-L331 VanDerWaalsContact O-N 3.13Å; L331-R333 PolarHBondContact O-N 2.99Å; L331-R333 VanDerWaalsContact O-N 3.16Å; L331-V334 HydrophobicContact CD2-CG2 4.2Å; L331-V334 WeakPolarHBondContact O-CB 3.41Å; L331-V334 PolarHBondContact O-N 3.32Å; L331-A335 PolarHBondContact O-N 3.3Å; L331-L358 HydrophobicContact CD2-CD1 4.38Å; L331-W362 HydrophobicContact CD1-CH2 3.56Å; L331-W362 HydrophobicContact CD1-CZ2 3.5Å; L331-W362 VanDerWaalsContact CD1-CZ2 3.5Å |
| 332 | G | 84.4 | Confident | 81.5 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -23.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L329 R330 V334 A335 R336 | L329-G332 PolarHBondContact O-N 3.01Å; R330-G332 PolarHBondContact O-N 3.45Å; G332-V334 VanDerWaalsContact C-N 3.28Å; G332-V334 PolarHBondContact O-N 3.46Å; G332-A335 PolarHBondContact O-N 2.95Å; G332-R336 PolarHBondContact O-N 2.84Å |
| 333 | R | 83.6 | Confident | 81.4 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -26.4 | 172.2 | -57.1 | -177.1 | -167.8 | -82.4 | -13.7 | 112.6 | T225 D261 D296 R330 L331 | T225-R333 HydrophobicContact CG2-CB 4.38Å; D261-R333 IonicContact OD2-CZ 3.16Å; D261-R333 IonicContact OD2-NH1 2.83Å; D261-R333 PolarHBondContact OD2-NH1 3.4Å; D296-R333 VanDerWaalsContact CG-CZ 3.46Å; D296-R333 VanDerWaalsContact CG-NH1 3.28Å; D296-R333 PolarHBondContact O-NH2 3.01Å; D296-R333 IonicContact OD1-CZ 3.65Å; D296-R333 IonicContact OD1-NH1 2.62Å; D296-R333 IonicContact OD1-NH2 2.74Å; D296-R333 IonicContact OD2-CZ 3.29Å; D296-R333 IonicContact OD2-NH1 2.77Å; D296-R333 PolarHBondContact OD2-NH1 2.85Å; D296-R333 IonicContact OD2-NH2 3.8Å; R330-R333 VanDerWaalsContact O-CB 3.26Å; R330-R333 WeakPolarHBondContact O-CB 3.29Å; R330-R333 VanDerWaalsContact O-CG 3.29Å; R330-R333 WeakPolarHBondContact O-CG 3.41Å; R330-R333 PolarHBondContact O-N 3.11Å; L331-R333 PolarHBondContact O-N 2.99Å; L331-R333 VanDerWaalsContact O-N 3.16Å |
| 334 | V | 83.4 | Confident | 81.3 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.3 | -44.6 | 175.1 | -170.5 | 0 | 0 | 0 | 0 | 110 | L222 L331 G332 R336 K337 L338 L351 | L222-V334 HydrophobicContact CD1-CB 4.41Å; L222-V334 HydrophobicContact CD1-CG1 3.96Å; L222-V334 HydrophobicContact CD1-CG2 3.73Å; L331-V334 HydrophobicContact CD2-CG2 4.2Å; L331-V334 WeakPolarHBondContact O-CB 3.41Å; L331-V334 PolarHBondContact O-N 3.32Å; G332-V334 VanDerWaalsContact C-N 3.28Å; G332-V334 PolarHBondContact O-N 3.46Å; V334-R336 VanDerWaalsContact C-N 3.29Å; V334-R336 PolarHBondContact O-N 2.89Å; V334-K337 CarbonylContact O-C 3.53Å; V334-K337 WeakPolarHBondContact O-CA 3.34Å; V334-K337 PolarHBondContact O-N 3.09Å; V334-L338 PolarHBondContact O-N 2.84Å; V334-L351 HydrophobicContact CG1-CD1 4.45Å |
| 335 | A | 78.3 | Confident | 81 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.7 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L331 G332 K337 L338 | L331-A335 PolarHBondContact O-N 3.3Å; G332-A335 PolarHBondContact O-N 2.95Å; A335-K337 PolarHBondContact O-N 3.34Å; A335-K337 VanDerWaalsContact O-N 3.08Å; A335-L338 WeakPolarHBondContact O-CB 3.43Å; A335-L338 PolarHBondContact O-N 3.49Å |
| 336 | R | 76.9 | Confident | 80.6 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 28% | 0.275 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18.7 | 173.2 | -82 | -164.2 | -85.6 | 153.5 | -12.1 | 115.6 | N265 W292 D296 G332 V334 | N265-R336 PolarHBondContact OD1-NH1 2.79Å; W292-R336 HydrophobicContact CD2-CG 3.82Å; W292-R336 VanDerWaalsContact CE2-CG 3.47Å; W292-R336 HydrophobicContact CE3-CG 4.22Å; W292-R336 HydrophobicContact CG-CG 4.38Å; W292-R336 HydrophobicContact CH2-CG 4.02Å; W292-R336 HydrophobicContact CZ2-CG 3.59Å; W292-R336 HydrophobicContact CZ3-CG 4.32Å; D296-R336 IonicContact OD1-CZ 2.66Å; D296-R336 IonicContact OD1-NH2 3.22Å; D296-R336 PolarHBondContact OD1-NH2 3.49Å; D296-R336 IonicContact OD2-CZ 2.72Å; D296-R336 IonicContact OD2-NH2 3.27Å; D296-R336 PolarHBondContact OD2-NH2 2.96Å; G332-R336 PolarHBondContact O-N 2.84Å; V334-R336 VanDerWaalsContact C-N 3.29Å; V334-R336 PolarHBondContact O-N 2.89Å |
| 337 | K | 73.9 | Confident | 80.3 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -0.8 | -178.4 | -67.2 | 170.8 | -179.5 | 168.8 | 0 | 112.9 | D218 V334 A335 D339 H340 Y341 | D218-K337 VanDerWaalsContact CA-NZ 3.31Å; D218-K337 HydrophobicContact CB-CD 4.38Å; D218-K337 PolarHBondContact O-NZ 2.76Å; D218-K337 WeakPolarHBondContact OD1-CE 3.43Å; D218-K337 IonicContact OD1-NZ 3.73Å; D218-K337 PolarHBondContact OD1-NZ 3.4Å; V334-K337 CarbonylContact O-C 3.53Å; V334-K337 WeakPolarHBondContact O-CA 3.34Å; V334-K337 PolarHBondContact O-N 3.09Å; A335-K337 PolarHBondContact O-N 3.34Å; A335-K337 VanDerWaalsContact O-N 3.08Å; K337-D339 VanDerWaalsContact C-N 3.25Å; K337-D339 PolarHBondContact O-N 2.93Å; K337-H340 WeakPolarHBondContact O-CB 3.37Å; K337-H340 PolarHBondContact O-N 3.31Å; K337-Y341 HydrophobicContact CB-CD2 4.21Å; K337-Y341 HydrophobicContact CB-CE2 3.56Å; K337-Y341 VanDerWaalsContact O-CD2 3.27Å; K337-Y341 WeakPolarHBondContact O-CD2 3.26Å; K337-Y341 PolarHBondContact O-N 3.32Å |
| 338 | L | 78.7 | Confident | 80.1 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 36% | 0.356 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.1 | -43.3 | -175.5 | -175 | 60.2 | 0 | 0 | 0 | 111.1 | V334 A335 H340 Y341 L342 L351 | V334-L338 PolarHBondContact O-N 2.84Å; A335-L338 WeakPolarHBondContact O-CB 3.43Å; A335-L338 PolarHBondContact O-N 3.49Å; L338-H340 PolarHBondContact O-N 3.46Å; L338-H340 VanDerWaalsContact O-N 3.1Å; L338-Y341 PolarHBondContact O-N 3.1Å; L338-L342 HydrophobicContact CD1-CD1 4.5Å; L338-L342 HydrophobicContact CD1-CD2 4.47Å; L338-L342 HydrophobicContact CD1-CG 4.17Å; L338-L342 HydrophobicContact CD2-CD1 4.43Å; L338-L342 HydrophobicContact CG-CD1 3.86Å; L338-L342 HydrophobicContact CG-CG 4.02Å; L338-L342 WeakPolarHBondContact O-CB 3.21Å; L338-L342 VanDerWaalsContact O-CG 3.3Å; L338-L342 WeakPolarHBondContact O-CG 3.29Å; L338-L342 PolarHBondContact O-N 3.18Å; L338-L351 HydrophobicContact CD1-CD2 3.62Å |
| 339 | D | 74.1 | Confident | 79.9 | Confident | 107 Ų | 107 | 52.1 Ų | 52.1 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.3 | -25.4 | 175.4 | -65.8 | -12.6 | 0 | 0 | 0 | 114.8 | K5 K337 | K5-D339 PolarHBondContact NZ-O 3.42Å; K337-D339 VanDerWaalsContact C-N 3.25Å; K337-D339 PolarHBondContact O-N 2.93Å |
| 340 | H | 74.8 | Confident | 79.8 | Confident | 72 Ų | 72 | 53 Ų | 53 | 33% | 0.333 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -81.8 | -39.4 | 175.8 | -176 | 43.6 | 0 | 0 | 0 | 111.4 | K337 L338 | K337-H340 WeakPolarHBondContact O-CB 3.37Å; K337-H340 PolarHBondContact O-N 3.31Å; L338-H340 PolarHBondContact O-N 3.46Å; L338-H340 VanDerWaalsContact O-N 3.1Å |
| 341 | Y | 72.6 | Confident | 79.7 | Confident | 15 Ų | 15 | 55 Ų | 55 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.8 | -31.6 | 177.1 | -55.7 | -56.6 | 0 | 0 | 0 | 112.4 | W219 L222 K337 L338 E343 Y344 | W219-Y341 HydrophobicContact CH2-CD1 4.23Å; W219-Y341 AromaticContact CH2-CE1 3.69Å; W219-Y341 HydrophobicContact CH2-CE1 3.69Å; W219-Y341 HydrophobicContact CZ2-CD1 4.45Å; W219-Y341 AromaticContact CZ2-CE1 3.78Å; W219-Y341 HydrophobicContact CZ2-CE1 3.78Å; W219-Y341 HydrophobicContact CZ3-CE1 4.18Å; L222-Y341 HydrophobicContact CD2-CE1 4.44Å; L222-Y341 HydrophobicContact CD2-CE2 4.41Å; K337-Y341 HydrophobicContact CB-CD2 4.21Å; K337-Y341 HydrophobicContact CB-CE2 3.56Å; K337-Y341 VanDerWaalsContact O-CD2 3.27Å; K337-Y341 WeakPolarHBondContact O-CD2 3.26Å; K337-Y341 PolarHBondContact O-N 3.32Å; L338-Y341 PolarHBondContact O-N 3.1Å; Y341-E343 PolarHBondContact O-N 3.37Å; Y341-Y344 PolarHBondContact O-N 3.4Å; Y341-Y344 VanDerWaalsContact O-N 3.17Å |
| 342 | L | 73.8 | Confident | 79.7 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 48% | 0.482 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.4 | 175.6 | -73.6 | 176.5 | 0 | 0 | 0 | 114.5 | L338 Y344 V348 | L338-L342 HydrophobicContact CD1-CD1 4.5Å; L338-L342 HydrophobicContact CD1-CD2 4.47Å; L338-L342 HydrophobicContact CD1-CG 4.17Å; L338-L342 HydrophobicContact CD2-CD1 4.43Å; L338-L342 HydrophobicContact CG-CD1 3.86Å; L338-L342 HydrophobicContact CG-CG 4.02Å; L338-L342 WeakPolarHBondContact O-CB 3.21Å; L338-L342 VanDerWaalsContact O-CG 3.3Å; L338-L342 WeakPolarHBondContact O-CG 3.29Å; L338-L342 PolarHBondContact O-N 3.18Å; L342-Y344 PolarHBondContact O-N 3.03Å; L342-V348 HydrophobicContact CD2-CG1 4.17Å; L342-V348 HydrophobicContact CD2-CG2 3.87Å |
| 343 | E | 75.1 | Confident | 80 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.9 | 173.1 | -69 | -173.7 | 179.4 | 0 | 0 | 113.1 | K5 Y341 | K5-E343 WeakPolarHBondContact CD-OE1 3.44Å; K5-E343 WeakPolarHBondContact CE-OE1 3.33Å; K5-E343 IonicContact NZ-OE1 2.64Å; K5-E343 PolarHBondContact NZ-OE1 3.23Å; Y341-E343 PolarHBondContact O-N 3.37Å |
| 344 | Y | 77.8 | Confident | 80.4 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | trans | -121.9 | 96.1 | -170.6 | -64.4 | -87.7 | 0 | 0 | 0 | 110.4 | Y341 L342 A346 A347 V348 | Y341-Y344 PolarHBondContact O-N 3.4Å; Y341-Y344 VanDerWaalsContact O-N 3.17Å; L342-Y344 PolarHBondContact O-N 3.03Å; Y344-A346 PolarHBondContact O-N 3.11Å; Y344-A347 WeakPolarHBondContact O-CA 3.42Å; Y344-A347 WeakPolarHBondContact O-CB 3.24Å; Y344-A347 PolarHBondContact O-N 3.36Å; Y344-V348 PolarHBondContact O-N 2.65Å | ||
| 345 | G | 76.6 | Confident | 80.7 | Confident | 23 Ų | 23 | 61 Ų | 61 | 24% | 0.237 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -50.4 | -38.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A347 V348 L349 I470 | G345-A347 PolarHBondContact O-N 2.71Å; G345-V348 WeakPolarHBondContact O-CB 3.48Å; G345-V348 PolarHBondContact O-N 2.85Å; G345-L349 PolarHBondContact O-N 3.11Å; G345-I470 WeakPolarHBondContact O-CD1 3.08Å |
| 346 | A | 79.4 | Confident | 81.4 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.7 | -34.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y344 L349 V350 | Y344-A346 PolarHBondContact O-N 3.11Å; A346-L349 PolarHBondContact O-N 3.07Å; A346-V350 WeakPolarHBondContact O-CG2 3.13Å; A346-V350 PolarHBondContact O-N 2.8Å; A346-V350 VanDerWaalsContact O-N 3.16Å |
| 347 | A | 81.8 | Confident | 82.3 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -71.8 | -32.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y344 G345 V350 L351 | Y344-A347 WeakPolarHBondContact O-CA 3.42Å; Y344-A347 WeakPolarHBondContact O-CB 3.24Å; Y344-A347 PolarHBondContact O-N 3.36Å; G345-A347 PolarHBondContact O-N 2.71Å; A347-V350 PolarHBondContact O-N 2.83Å; A347-L351 VanDerWaalsContact O-CB 3.27Å; A347-L351 WeakPolarHBondContact O-CB 3.43Å; A347-L351 PolarHBondContact O-N 3.49Å |
| 348 | V | 83.9 | Confident | 83.2 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 172 | -174.9 | 0 | 0 | 0 | 0 | 111 | L342 Y344 G345 L351 L352 | L342-V348 HydrophobicContact CD2-CG1 4.17Å; L342-V348 HydrophobicContact CD2-CG2 3.87Å; Y344-V348 PolarHBondContact O-N 2.65Å; G345-V348 WeakPolarHBondContact O-CB 3.48Å; G345-V348 PolarHBondContact O-N 2.85Å; V348-L351 PolarHBondContact O-N 3.19Å; V348-L352 VanDerWaalsContact O-CB 3.29Å; V348-L352 WeakPolarHBondContact O-CB 3.44Å; V348-L352 PolarHBondContact O-N 3.01Å |
| 349 | L | 84.9 | Confident | 84 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 174.4 | 178.6 | 57.3 | 0 | 0 | 0 | 112 | G345 A346 L351 L352 V353 V467 I470 | G345-L349 PolarHBondContact O-N 3.11Å; A346-L349 PolarHBondContact O-N 3.07Å; L349-L351 PolarHBondContact O-N 3.04Å; L349-L352 PolarHBondContact O-N 2.84Å; L349-V353 HydrophobicContact CD1-CG2 4.22Å; L349-V353 WeakPolarHBondContact O-CG2 3.38Å; L349-V353 PolarHBondContact O-N 3.42Å; L349-V467 HydrophobicContact CD1-CG2 3.53Å; L349-I470 HydrophobicContact CB-CD1 3.85Å |
| 350 | V | 87.7 | Confident | 85 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 58% | 0.576 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.9 | -46.6 | 177.6 | 173 | 0 | 0 | 0 | 0 | 110.9 | A346 A347 L352 V353 C354 | A346-V350 WeakPolarHBondContact O-CG2 3.13Å; A346-V350 PolarHBondContact O-N 2.8Å; A346-V350 VanDerWaalsContact O-N 3.16Å; A347-V350 PolarHBondContact O-N 2.83Å; V350-L352 VanDerWaalsContact C-N 3.32Å; V350-L352 PolarHBondContact O-N 2.82Å; V350-V353 PolarHBondContact O-N 3.38Å; V350-C354 PolarHBondContact O-N 2.77Å; V350-C354 PolarHBondContact O-SG 2.88Å |
| 351 | L | 85.9 | Confident | 86 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 177.1 | 178.6 | 61.5 | 0 | 0 | 0 | 111.9 | V334 L338 A347 V348 L349 C354 V355 | V334-L351 HydrophobicContact CG1-CD1 4.45Å; L338-L351 HydrophobicContact CD1-CD2 3.62Å; A347-L351 VanDerWaalsContact O-CB 3.27Å; A347-L351 WeakPolarHBondContact O-CB 3.43Å; A347-L351 PolarHBondContact O-N 3.49Å; V348-L351 PolarHBondContact O-N 3.19Å; L349-L351 PolarHBondContact O-N 3.04Å; L351-C354 WeakPolarHBondContact O-CB 3.48Å; L351-C354 PolarHBondContact O-N 3.35Å; L351-V355 WeakPolarHBondContact O-CG2 3.34Å; L351-V355 PolarHBondContact O-N 2.93Å |
| 352 | L | 87 | Confident | 87.1 | Confident | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.3 | -35.4 | -178.9 | -168 | 62.9 | 0 | 0 | 0 | 112.3 | V348 L349 V350 V355 F356 I463 N466 | V348-L352 VanDerWaalsContact O-CB 3.29Å; V348-L352 WeakPolarHBondContact O-CB 3.44Å; V348-L352 PolarHBondContact O-N 3.01Å; L349-L352 PolarHBondContact O-N 2.84Å; V350-L352 VanDerWaalsContact C-N 3.32Å; V350-L352 PolarHBondContact O-N 2.82Å; L352-V355 PolarHBondContact O-N 3.21Å; L352-F356 PolarHBondContact O-N 3.14Å; L352-I463 HydrophobicContact CD2-CB 4.37Å; L352-I463 HydrophobicContact CD2-CG1 3.89Å; L352-I463 HydrophobicContact CG-CG1 3.85Å; L352-N466 HydrophobicContact CD2-CB 3.89Å |
| 353 | V | 90.6 | Very high | 88.1 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 170.8 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L349 V350 F356 G357 | L349-V353 HydrophobicContact CD1-CG2 4.22Å; L349-V353 WeakPolarHBondContact O-CG2 3.38Å; L349-V353 PolarHBondContact O-N 3.42Å; V350-V353 PolarHBondContact O-N 3.38Å; V353-F356 PolarHBondContact O-N 2.81Å; V353-G357 PolarHBondContact O-N 2.86Å |
| 354 | C | 91.2 | Very high | 89.1 | Confident | 49 Ų | 49 | 42 Ų | 42 | 33% | 0.331 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 172.8 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | F226 V350 L351 L358 | F226-C354 HydrophobicContact CE2-CB 3.95Å; F226-C354 HydrophobicContact CZ-CB 4.26Å; V350-C354 PolarHBondContact O-N 2.77Å; V350-C354 PolarHBondContact O-SG 2.88Å; L351-C354 WeakPolarHBondContact O-CB 3.48Å; L351-C354 PolarHBondContact O-N 3.35Å; C354-L358 WeakPolarHBondContact O-CB 3.49Å; C354-L358 PolarHBondContact O-N 2.91Å |
| 355 | V | 90.6 | Very high | 89.9 | Confident | 57 Ų | 57 | 36.5 Ų | 36.5 | 35% | 0.345 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 174 | 168 | 0 | 0 | 0 | 0 | 111.3 | L351 L352 L358 V359 | L351-V355 WeakPolarHBondContact O-CG2 3.34Å; L351-V355 PolarHBondContact O-N 2.93Å; L352-V355 PolarHBondContact O-N 3.21Å; V355-L358 PolarHBondContact O-N 2.79Å; V355-V359 HydrophobicContact CG1-CG2 4.46Å; V355-V359 WeakPolarHBondContact O-CG2 3.27Å; V355-V359 PolarHBondContact O-N 3.37Å |
| 356 | F | 93 | Very high | 90.7 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -50.1 | 175.7 | -179.4 | -97.3 | 0 | 0 | 0 | 112.2 | L352 V353 L358 V359 A360 M427 L430 T431 I463 | L352-F356 PolarHBondContact O-N 3.14Å; V353-F356 PolarHBondContact O-N 2.81Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 3.35Å; F356-V359 PolarHBondContact O-N 2.99Å; F356-A360 WeakPolarHBondContact O-CB 3.24Å; F356-A360 PolarHBondContact O-N 3.47Å; F356-M427 HydrophobicContact CE1-CE 4.07Å; F356-M427 HydrophobicContact CE1-SD 3.95Å; F356-L430 HydrophobicContact CE2-CB 3.88Å; F356-L430 HydrophobicContact CZ-CB 3.8Å; F356-T431 HydrophobicContact CE1-CG2 4.24Å; F356-T431 HydrophobicContact CZ-CG2 3.8Å; F356-I463 HydrophobicContact CB-CD1 3.87Å; F356-I463 HydrophobicContact CD2-CD1 3.43Å; F356-I463 VanDerWaalsContact CD2-CD1 3.43Å; F356-I463 HydrophobicContact CE2-CD1 4.18Å; F356-I463 HydrophobicContact CG-CD1 3.8Å |
| 357 | G | 94.3 | Very high | 91.4 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.4 | -35.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V353 A360 H361 | V353-G357 PolarHBondContact O-N 2.86Å; G357-A360 PolarHBondContact O-N 3.42Å; G357-H361 VanDerWaalsContact O-CB 3.32Å; G357-H361 WeakPolarHBondContact O-CB 3.07Å; G357-H361 PolarHBondContact O-N 2.81Å |
| 358 | L | 94 | Very high | 92 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 175.3 | 175.6 | 158.8 | 0 | 0 | 0 | 111.9 | F226 A229 L331 C354 V355 F356 H361 W362 | F226-L358 HydrophobicContact CD2-CD1 4.19Å; F226-L358 HydrophobicContact CE2-CB 4.34Å; F226-L358 HydrophobicContact CE2-CD1 4.12Å; A229-L358 HydrophobicContact CB-CD1 3.67Å; A229-L358 HydrophobicContact CB-CG 4.42Å; L331-L358 HydrophobicContact CD2-CD1 4.38Å; C354-L358 WeakPolarHBondContact O-CB 3.49Å; C354-L358 PolarHBondContact O-N 2.91Å; V355-L358 PolarHBondContact O-N 2.79Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 3.35Å; L358-H361 PolarHBondContact O-N 3.35Å; L358-W362 HydrophobicContact CD2-CD2 3.74Å; L358-W362 VanDerWaalsContact CD2-CE2 3.47Å; L358-W362 HydrophobicContact CD2-CE3 4.04Å; L358-W362 HydrophobicContact CD2-CG 4.39Å; L358-W362 HydrophobicContact CD2-CH2 3.94Å; L358-W362 HydrophobicContact CD2-CZ2 3.61Å; L358-W362 HydrophobicContact CD2-CZ3 4.13Å; L358-W362 HydrophobicContact CG-CZ2 4.33Å; L358-W362 PolarHBondContact O-N 2.97Å |
| 359 | V | 94.7 | Very high | 92.3 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 16% | 0.164 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 173.8 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | V355 F356 H361 W362 L363 V455 L459 | V355-V359 HydrophobicContact CG1-CG2 4.46Å; V355-V359 WeakPolarHBondContact O-CG2 3.27Å; V355-V359 PolarHBondContact O-N 3.37Å; F356-V359 PolarHBondContact O-N 2.99Å; V359-H361 VanDerWaalsContact C-N 3.3Å; V359-H361 PolarHBondContact O-N 3.02Å; V359-W362 PolarHBondContact O-N 3.42Å; V359-L363 HydrophobicContact CG1-CD1 3.79Å; V359-L363 HydrophobicContact CG1-CG 4.21Å; V359-L363 WeakPolarHBondContact O-CB 3.33Å; V359-L363 WeakPolarHBondContact O-CG 3.19Å; V359-L363 PolarHBondContact O-N 3.06Å; V359-V455 HydrophobicContact CG1-CG1 4.43Å; V359-L459 HydrophobicContact CB-CD1 4.13Å; V359-L459 HydrophobicContact CG1-CD1 3.74Å; V359-L459 HydrophobicContact CG2-CD1 4.22Å |
| 360 | A | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F356 G357 A364 L423 T426 M427 L430 | F356-A360 WeakPolarHBondContact O-CB 3.24Å; F356-A360 PolarHBondContact O-N 3.47Å; G357-A360 PolarHBondContact O-N 3.42Å; A360-A364 VanDerWaalsContact O-CB 3.31Å; A360-A364 WeakPolarHBondContact O-CB 3.34Å; A360-A364 PolarHBondContact O-N 2.87Å; A360-L423 HydrophobicContact CB-CD1 4.22Å; A360-T426 PolarHBondContact O-OG1 3.37Å; A360-M427 HydrophobicContact CB-CG 4.13Å; A360-M427 HydrophobicContact CB-SD 3.54Å; A360-M427 VanDerWaalsContact CB-SD 3.54Å; A360-L430 VanDerWaalsContact CA-CD1 3.45Å; A360-L430 HydrophobicContact CB-CD1 3.54Å |
| 361 | H | 95.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 175.3 | 170 | 73.8 | 0 | 0 | 0 | 112.9 | I230 G357 L358 V359 A364 C365 Y419 L423 | I230-H361 WeakPolarHBondContact CA-NE2 3.32Å; I230-H361 PolarHBondContact O-NE2 2.78Å; G357-H361 VanDerWaalsContact O-CB 3.32Å; G357-H361 WeakPolarHBondContact O-CB 3.07Å; G357-H361 PolarHBondContact O-N 2.81Å; L358-H361 PolarHBondContact O-N 3.35Å; V359-H361 VanDerWaalsContact C-N 3.3Å; V359-H361 PolarHBondContact O-N 3.02Å; H361-A364 WeakPolarHBondContact O-CB 3.46Å; H361-A364 PolarHBondContact O-N 2.83Å; H361-C365 PolarHBondContact CE1-SG 3.29Å; H361-C365 PolarHBondContact O-N 3.18Å; H361-C365 PolarHBondContact O-SG 3.17Å; H361-Y419 AromaticContact CE1-CE2 3.78Å; H361-Y419 AromaticContact ND1-CE2 3.48Å; H361-Y419 WeakPolarHBondContact ND1-CE2 3.43Å; H361-Y419 AromaticContact ND1-CZ 3.62Å; H361-Y419 PolarHBondContact ND1-OH 2.84Å; H361-L423 HydrophobicContact CB-CD1 4.47Å |
| 362 | W | 95.5 | Very high | 92.8 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 28% | 0.28 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 175.6 | -72.2 | 0.4 | 0 | 0 | 0 | 112 | A229 L328 L331 L358 V359 A364 C365 I366 | A229-W362 HydrophobicContact CB-CZ2 4.49Å; A229-W362 PolarHBondContact O-NE1 3.07Å; L328-W362 HydrophobicContact CD1-CZ2 4.17Å; L328-W362 HydrophobicContact CD2-CZ2 4.01Å; L331-W362 HydrophobicContact CD1-CH2 3.56Å; L331-W362 HydrophobicContact CD1-CZ2 3.5Å; L331-W362 VanDerWaalsContact CD1-CZ2 3.5Å; L358-W362 HydrophobicContact CD2-CD2 3.74Å; L358-W362 VanDerWaalsContact CD2-CE2 3.47Å; L358-W362 HydrophobicContact CD2-CE3 4.04Å; L358-W362 HydrophobicContact CD2-CG 4.39Å; L358-W362 HydrophobicContact CD2-CH2 3.94Å; L358-W362 HydrophobicContact CD2-CZ2 3.61Å; L358-W362 HydrophobicContact CD2-CZ3 4.13Å; L358-W362 HydrophobicContact CG-CZ2 4.33Å; L358-W362 PolarHBondContact O-N 2.97Å; V359-W362 PolarHBondContact O-N 3.42Å; W362-A364 VanDerWaalsContact C-N 3.27Å; W362-A364 PolarHBondContact O-N 2.88Å; W362-C365 PolarHBondContact O-N 3.36Å; W362-I366 WeakPolarHBondContact O-CG1 3.23Å; W362-I366 PolarHBondContact O-N 2.77Å |
| 363 | L | 95.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -33.1 | 176.8 | -67.7 | 175 | 0 | 0 | 0 | 111.6 | V359 I366 W367 T426 L430 F448 M452 | V359-L363 HydrophobicContact CG1-CD1 3.79Å; V359-L363 HydrophobicContact CG1-CG 4.21Å; V359-L363 WeakPolarHBondContact O-CB 3.33Å; V359-L363 WeakPolarHBondContact O-CG 3.19Å; V359-L363 PolarHBondContact O-N 3.06Å; L363-I366 HydrophobicContact CD2-CD1 4.44Å; L363-I366 PolarHBondContact O-N 3.49Å; L363-W367 VanDerWaalsContact O-CB 3.29Å; L363-W367 WeakPolarHBondContact O-CB 3.25Å; L363-W367 PolarHBondContact O-N 3.34Å; L363-T426 HydrophobicContact CB-CG2 4.04Å; L363-L430 HydrophobicContact CD1-CD1 4.23Å; L363-L430 HydrophobicContact CD1-CD2 3.91Å; L363-L430 HydrophobicContact CD1-CG 4.39Å; L363-F448 HydrophobicContact CB-CZ 4.44Å; L363-F448 HydrophobicContact CD2-CE2 4.04Å; L363-F448 HydrophobicContact CD2-CZ 3.84Å; L363-M452 HydrophobicContact CB-SD 3.84Å; L363-M452 HydrophobicContact CD1-CG 3.99Å; L363-M452 HydrophobicContact CD1-SD 4.17Å; L363-M452 HydrophobicContact CD2-CG 4.01Å; L363-M452 HydrophobicContact CD2-SD 4.37Å; L363-M452 HydrophobicContact CG-CG 4.4Å; L363-M452 HydrophobicContact CG-SD 4.35Å |
| 364 | A | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A360 H361 W362 W367 Y368 L423 T426 | A360-A364 VanDerWaalsContact O-CB 3.31Å; A360-A364 WeakPolarHBondContact O-CB 3.34Å; A360-A364 PolarHBondContact O-N 2.87Å; H361-A364 WeakPolarHBondContact O-CB 3.46Å; H361-A364 PolarHBondContact O-N 2.83Å; W362-A364 VanDerWaalsContact C-N 3.27Å; W362-A364 PolarHBondContact O-N 2.88Å; A364-W367 PolarHBondContact O-N 2.89Å; A364-Y368 PolarHBondContact O-N 2.82Å; A364-L423 HydrophobicContact CB-CB 4.17Å; A364-L423 HydrophobicContact CB-CD1 4.19Å; A364-T426 HydrophobicContact CB-CG2 4.25Å |
| 365 | C | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69 | -34.1 | 175.5 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | P233 S237 H361 W362 S369 | P233-C365 HydrophobicContact CB-CB 4.05Å; S237-C365 VanDerWaalsContact CB-O 3.28Å; S237-C365 WeakPolarHBondContact CB-O 3.33Å; S237-C365 PolarHBondContact OG-O 3.38Å; H361-C365 PolarHBondContact CE1-SG 3.29Å; H361-C365 PolarHBondContact O-N 3.18Å; H361-C365 PolarHBondContact O-SG 3.17Å; W362-C365 PolarHBondContact O-N 3.36Å; C365-S369 WeakPolarHBondContact O-CB 3.45Å; C365-S369 PolarHBondContact O-N 3.03Å |
| 366 | I | 93.8 | Very high | 91.6 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 40% | 0.4 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -71.8 | -43.6 | 172.8 | -63.2 | 162.9 | 0 | 0 | 0 | 110.7 | W362 L363 Y368 S369 I370 F448 | W362-I366 WeakPolarHBondContact O-CG1 3.23Å; W362-I366 PolarHBondContact O-N 2.77Å; L363-I366 HydrophobicContact CD2-CD1 4.44Å; L363-I366 PolarHBondContact O-N 3.49Å; I366-Y368 VanDerWaalsContact C-N 3.33Å; I366-Y368 PolarHBondContact O-N 3.16Å; I366-S369 CarbonylContact O-C 3.59Å; I366-S369 WeakPolarHBondContact O-CA 3.26Å; I366-S369 WeakPolarHBondContact O-CB 3.44Å; I366-S369 PolarHBondContact O-N 2.97Å; I366-I370 HydrophobicContact CG2-CD1 4Å; I366-I370 HydrophobicContact CG2-CG1 4.47Å; I366-I370 WeakPolarHBondContact O-CG1 3.37Å; I366-I370 PolarHBondContact O-N 3.22Å; I366-F448 HydrophobicContact CB-CE2 4.14Å; I366-F448 HydrophobicContact CB-CZ 3.82Å; I366-F448 HydrophobicContact CG2-CD2 4.16Å; I366-F448 HydrophobicContact CG2-CE1 4.32Å; I366-F448 HydrophobicContact CG2-CE2 3.42Å; I366-F448 VanDerWaalsContact CG2-CE2 3.42Å; I366-F448 HydrophobicContact CG2-CZ 3.51Å |
| 367 | W | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 175.4 | -177.7 | -111.5 | 0 | 0 | 0 | 112.4 | L363 A364 I370 G371 W388 F425 T426 I438 P440 E445 F448 M452 | L363-W367 VanDerWaalsContact O-CB 3.29Å; L363-W367 WeakPolarHBondContact O-CB 3.25Å; L363-W367 PolarHBondContact O-N 3.34Å; A364-W367 PolarHBondContact O-N 2.89Å; W367-I370 PolarHBondContact O-N 3.31Å; W367-G371 PolarHBondContact O-N 3.47Å; W367-G371 VanDerWaalsContact O-N 3.11Å; W367-W388 AromaticContact CD1-CE2 3.66Å; W367-W388 AromaticContact CD1-CH2 3.89Å; W367-W388 AromaticContact CD1-CZ2 3.57Å; W367-W388 AromaticContact CE2-CD1 3.61Å; W367-W388 AromaticContact CE2-CD2 3.63Å; W367-W388 AromaticContact CE2-CE2 3.66Å; W367-W388 AromaticContact CE2-CG 3.67Å; W367-W388 AromaticContact CE2-NE1 3.57Å; W367-W388 HydrophobicContact CG-CZ2 4.41Å; W367-W388 HydrophobicContact CH2-CB 4.39Å; W367-W388 AromaticContact CH2-CD1 3.9Å; W367-W388 HydrophobicContact CH2-CG 4.15Å; W367-W388 HydrophobicContact CZ2-CB 3.71Å; W367-W388 AromaticContact CZ2-CD1 3.39Å; W367-W388 AromaticContact CZ2-CD2 3.79Å; W367-W388 HydrophobicContact CZ2-CD2 3.79Å; W367-W388 AromaticContact CZ2-CG 3.32Å; W367-W388 HydrophobicContact CZ2-CG 3.32Å; W367-W388 AromaticContact CZ2-NE1 3.88Å; W367-W388 AromaticContact NE1-CD1 3.96Å; W367-W388 AromaticContact NE1-CD2 3.22Å; W367-W388 AromaticContact NE1-CE2 3.19Å; W367-W388 AromaticContact NE1-CE3 3.51Å; W367-W388 AromaticContact NE1-CG 3.79Å; W367-W388 AromaticContact NE1-CH2 3.81Å; W367-W388 AromaticContact NE1-CZ2 3.53Å; W367-W388 AromaticContact NE1-CZ3 3.76Å; W367-W388 AromaticContact NE1-NE1 3.6Å; W367-W388 PolarHBondContact O-NE1 3.24Å; W367-F425 AromaticContact CD1-CD1 3.79Å; W367-F425 AromaticContact CD2-CD1 3.6Å; W367-F425 HydrophobicContact CD2-CD1 3.6Å; W367-F425 AromaticContact CD2-CE1 3.57Å; W367-F425 HydrophobicContact CD2-CE1 3.57Å; W367-F425 AromaticContact CE2-CD1 3.27Å; W367-F425 AromaticContact CE2-CE1 3.35Å; W367-F425 HydrophobicContact CE3-CD1 4.28Å; W367-F425 AromaticContact CE3-CE1 3.78Å; W367-F425 HydrophobicContact CE3-CE1 3.78Å; W367-F425 AromaticContact CG-CD1 3.89Å; W367-F425 HydrophobicContact CG-CD1 3.89Å; W367-F425 HydrophobicContact CG-CE1 4.29Å; W367-F425 HydrophobicContact CH2-CD1 4.34Å; W367-F425 AromaticContact CH2-CE1 3.57Å; W367-F425 HydrophobicContact CH2-CE1 3.57Å; W367-F425 AromaticContact CH2-CZ 3.96Å; W367-F425 HydrophobicContact CH2-CZ 3.96Å; W367-F425 AromaticContact CZ2-CD1 3.69Å; W367-F425 HydrophobicContact CZ2-CD1 3.69Å; W367-F425 AromaticContact CZ2-CE1 3.36Å; W367-F425 HydrophobicContact CZ2-CE1 3.36Å; W367-F425 HydrophobicContact CZ2-CG 4.44Å; W367-F425 AromaticContact CZ2-CZ 3.91Å; W367-F425 HydrophobicContact CZ2-CZ 3.91Å; W367-F425 AromaticContact CZ3-CE1 3.77Å; W367-F425 HydrophobicContact CZ3-CE1 3.77Å; W367-F425 HydrophobicContact CZ3-CZ 4.42Å; W367-F425 AromaticContact NE1-CD1 3.41Å; W367-F425 AromaticContact NE1-CE1 4Å; W367-T426 HydrophobicContact CB-CG2 4.22Å; W367-I438 HydrophobicContact CZ2-CG2 4.23Å; W367-P440 HydrophobicContact CH2-CB 4.04Å; W367-E445 HydrophobicContact CH2-CB 3.79Å; W367-E445 HydrophobicContact CH2-CG 3.75Å; W367-E445 HydrophobicContact CZ3-CB 3.8Å; W367-E445 HydrophobicContact CZ3-CG 3.85Å; W367-F448 HydrophobicContact CB-CE1 4.07Å; W367-F448 AromaticContact CE3-CD1 3.65Å; W367-F448 HydrophobicContact CE3-CD1 3.65Å; W367-F448 AromaticContact CE3-CE1 3.9Å; W367-F448 HydrophobicContact CE3-CE1 3.9Å; W367-F448 HydrophobicContact CZ3-CD1 4.16Å; W367-M452 HydrophobicContact CE3-CE 4.33Å |
| 368 | Y | 93.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 170.9 | 178.6 | -107.1 | 0 | 0 | 0 | 112.1 | S237 F238 A364 I366 I370 G371 D372 L389 L418 | S237-Y368 WeakPolarHBondContact O-CE1 3.46Å; F238-Y368 AromaticContact CD1-CD1 3.67Å; F238-Y368 HydrophobicContact CD1-CD1 3.67Å; F238-Y368 HydrophobicContact CD1-CD2 4.43Å; F238-Y368 AromaticContact CD1-CE1 3.76Å; F238-Y368 HydrophobicContact CD1-CE1 3.76Å; F238-Y368 HydrophobicContact CD1-CG 4.03Å; F238-Y368 HydrophobicContact CD2-CD1 4.19Å; F238-Y368 AromaticContact CE1-CD1 3.56Å; F238-Y368 HydrophobicContact CE1-CD1 3.56Å; F238-Y368 AromaticContact CE1-CD2 3.78Å; F238-Y368 HydrophobicContact CE1-CD2 3.78Å; F238-Y368 HydrophobicContact CE1-CE1 4.04Å; F238-Y368 HydrophobicContact CE1-CE2 4.24Å; F238-Y368 AromaticContact CE1-CG 3.43Å; F238-Y368 HydrophobicContact CE1-CG 3.43Å; F238-Y368 VanDerWaalsContact CE1-CG 3.43Å; F238-Y368 HydrophobicContact CE2-CD1 4.09Å; F238-Y368 HydrophobicContact CE2-CG 4.22Å; F238-Y368 AromaticContact CG-CD1 3.98Å; F238-Y368 HydrophobicContact CG-CD1 3.98Å; F238-Y368 HydrophobicContact CG-CE1 4.18Å; F238-Y368 AromaticContact CZ-CD1 3.78Å; F238-Y368 HydrophobicContact CZ-CD1 3.78Å; F238-Y368 HydrophobicContact CZ-CD2 4.24Å; F238-Y368 AromaticContact CZ-CG 3.53Å; F238-Y368 HydrophobicContact CZ-CG 3.53Å; A364-Y368 PolarHBondContact O-N 2.82Å; I366-Y368 VanDerWaalsContact C-N 3.33Å; I366-Y368 PolarHBondContact O-N 3.16Å; Y368-I370 VanDerWaalsContact C-N 3.25Å; Y368-I370 PolarHBondContact O-N 2.97Å; Y368-G371 PolarHBondContact O-N 3.3Å; Y368-G371 VanDerWaalsContact O-N 3.15Å; Y368-D372 HydrophobicContact CE1-CB 4.1Å; Y368-D372 HydrophobicContact CE2-CB 4.33Å; Y368-D372 VanDerWaalsContact CZ-OD1 3.27Å; Y368-D372 WeakPolarHBondContact O-CB 3.47Å; Y368-D372 PolarHBondContact O-N 2.72Å; Y368-D372 PolarHBondContact OH-OD1 3.3Å; Y368-L389 HydrophobicContact CE2-CD2 4.39Å; Y368-L418 HydrophobicContact CD2-CB 4.49Å; Y368-L418 HydrophobicContact CE2-CB 4.46Å; Y368-L418 HydrophobicContact CE2-CD1 3.93Å |
| 369 | S | 90.6 | Very high | 88.4 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 41% | 0.406 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.1 | -26.3 | 179.5 | -167.9 | 0 | 0 | 0 | 0 | 114.2 | C365 I366 Y373 | C365-S369 WeakPolarHBondContact O-CB 3.45Å; C365-S369 PolarHBondContact O-N 3.03Å; I366-S369 CarbonylContact O-C 3.59Å; I366-S369 WeakPolarHBondContact O-CA 3.26Å; I366-S369 WeakPolarHBondContact O-CB 3.44Å; I366-S369 PolarHBondContact O-N 2.97Å; S369-Y373 WeakPolarHBondContact O-CB 3.45Å; S369-Y373 PolarHBondContact O-N 3.32Å |
| 370 | I | 91.4 | Very high | 87.3 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.9 | -46.9 | 172.2 | -67.4 | 165 | 0 | 0 | 0 | 109.7 | I366 W367 Y368 D372 Y373 E374 V444 E445 F448 | I366-I370 HydrophobicContact CG2-CD1 4Å; I366-I370 HydrophobicContact CG2-CG1 4.47Å; I366-I370 WeakPolarHBondContact O-CG1 3.37Å; I366-I370 PolarHBondContact O-N 3.22Å; W367-I370 PolarHBondContact O-N 3.31Å; Y368-I370 VanDerWaalsContact C-N 3.25Å; Y368-I370 PolarHBondContact O-N 2.97Å; I370-D372 PolarHBondContact O-N 3.29Å; I370-Y373 PolarHBondContact O-N 3.17Å; I370-E374 PolarHBondContact O-N 2.83Å; I370-V444 HydrophobicContact CG2-CG1 4.1Å; I370-E445 HydrophobicContact CG2-CG 4.23Å; I370-F448 HydrophobicContact CD1-CB 3.8Å; I370-F448 HydrophobicContact CD1-CD1 3.66Å; I370-F448 HydrophobicContact CD1-CD2 3.94Å; I370-F448 HydrophobicContact CD1-CE1 4.17Å; I370-F448 HydrophobicContact CD1-CE2 4.45Å; I370-F448 HydrophobicContact CD1-CG 3.51Å |
| 371 | G | 89.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W367 Y368 Y373 E374 V375 L389 | W367-G371 PolarHBondContact O-N 3.47Å; W367-G371 VanDerWaalsContact O-N 3.11Å; Y368-G371 PolarHBondContact O-N 3.3Å; Y368-G371 VanDerWaalsContact O-N 3.15Å; G371-Y373 PolarHBondContact O-N 2.97Å; G371-E374 PolarHBondContact O-N 3.47Å; G371-V375 VanDerWaalsContact O-CB 3.28Å; G371-V375 WeakPolarHBondContact O-CB 3.49Å; G371-V375 PolarHBondContact O-N 2.71Å; G371-L389 VanDerWaalsContact C-CD2 3.41Å; G371-L389 WeakPolarHBondContact O-CD2 3.23Å |
| 372 | D | 86.9 | Confident | 85.4 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -25 | 177.9 | -160.7 | 75.5 | 0 | 0 | 0 | 112.5 | K239 Y368 I370 | K239-D372 WeakPolarHBondContact CE-OD2 3.35Å; K239-D372 IonicContact NZ-OD2 2.69Å; K239-D372 PolarHBondContact NZ-OD2 2.94Å; Y368-D372 HydrophobicContact CE1-CB 4.1Å; Y368-D372 HydrophobicContact CE2-CB 4.33Å; Y368-D372 VanDerWaalsContact CZ-OD1 3.27Å; Y368-D372 WeakPolarHBondContact O-CB 3.47Å; Y368-D372 PolarHBondContact O-N 2.72Å; Y368-D372 PolarHBondContact OH-OD1 3.3Å; I370-D372 PolarHBondContact O-N 3.29Å |
| 373 | Y | 85.6 | Confident | 84.6 | Confident | 192 Ų | 192 | 54 Ų | 54 | 75% | 0.753 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -88.9 | -36.9 | 177.3 | -180 | -89.1 | 0 | 0 | 0 | 113.3 | S369 I370 G371 | S369-Y373 WeakPolarHBondContact O-CB 3.45Å; S369-Y373 PolarHBondContact O-N 3.32Å; I370-Y373 PolarHBondContact O-N 3.17Å; G371-Y373 PolarHBondContact O-N 2.97Å |
| 374 | E | 85.5 | Confident | 83.9 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -86.4 | -26 | 179.9 | -70.4 | -167.9 | 135 | 0 | 0 | 113.6 | I370 G371 I376 Q384 T442 V444 | I370-E374 PolarHBondContact O-N 2.83Å; G371-E374 PolarHBondContact O-N 3.47Å; E374-I376 PolarHBondContact O-N 2.71Å; E374-Q384 WeakPolarHBondContact O-CB 3.4Å; E374-Q384 PolarHBondContact O-OE1 2.86Å; E374-T442 VanDerWaalsContact CD-OG1 3.29Å; E374-T442 PolarHBondContact OE1-OG1 3.36Å; E374-T442 VanDerWaalsContact OE2-CB 3.32Å; E374-T442 WeakPolarHBondContact OE2-CB 3.37Å; E374-T442 VanDerWaalsContact OE2-CG2 3.31Å; E374-T442 WeakPolarHBondContact OE2-CG2 3.45Å; E374-T442 PolarHBondContact OE2-OG1 2.86Å; E374-V444 WeakPolarHBondContact OE1-CB 3.45Å; E374-V444 WeakPolarHBondContact OE1-CG2 3.13Å |
| 375 | V | 83 | Confident | 83.1 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -69.3 | -33 | -171.3 | 82.6 | 0 | 0 | 0 | 0 | 113.3 | G371 I383 Q384 L389 Y400 | G371-V375 VanDerWaalsContact O-CB 3.28Å; G371-V375 WeakPolarHBondContact O-CB 3.49Å; G371-V375 PolarHBondContact O-N 2.71Å; V375-I383 HydrophobicContact CG2-CG1 4.33Å; V375-I383 CarbonylContact O-C 3.57Å; V375-I383 VanDerWaalsContact O-CA 3.27Å; V375-I383 WeakPolarHBondContact O-CA 3.46Å; V375-I383 WeakPolarHBondContact O-CG1 3.42Å; V375-Q384 PolarHBondContact O-N 3.23Å; V375-L389 HydrophobicContact CB-CB 4.33Å; V375-L389 HydrophobicContact CB-CD2 4.01Å; V375-L389 HydrophobicContact CB-CG 4.36Å; V375-L389 HydrophobicContact CG1-CD2 3.72Å; V375-L389 HydrophobicContact CG1-CG 4.4Å; V375-L389 HydrophobicContact CG2-CB 4.26Å; V375-L389 HydrophobicContact CG2-CD2 4.49Å; V375-L389 HydrophobicContact CG2-CG 4.33Å; V375-Y400 HydrophobicContact CG2-CE2 4.35Å |
| 376 | I | 80.9 | Confident | 82.6 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -129.5 | 114.3 | 174.4 | -67.8 | 159.8 | 0 | 0 | 0 | 108 | E374 E378 I383 W409 | E374-I376 PolarHBondContact O-N 2.71Å; I376-E378 PolarHBondContact O-N 3.32Å; I376-I383 HydrophobicContact CG1-CG1 4.44Å; I376-W409 HydrophobicContact CD1-CB 3.95Å; I376-W409 HydrophobicContact CD1-CG 4.05Å; I376-W409 HydrophobicContact CG1-CG 4.39Å |
| 377 | D | 75.9 | Confident | 82.3 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | trans | -77.6 | 111.2 | 169.7 | 167.5 | 29.2 | 0 | 0 | 0 | 109.7 | V379 T380 N381 T382 | D377-V379 PolarHBondContact O-N 3.18Å; D377-V379 VanDerWaalsContact O-N 3.16Å; D377-V379 WeakPolarHBondContact OD1-CB 3.36Å; D377-V379 PolarHBondContact OD1-N 2.74Å; D377-T380 PolarHBondContact O-N 3.27Å; D377-T380 WeakPolarHBondContact OD2-CB 3.21Å; D377-T380 WeakPolarHBondContact OD2-CG2 3.39Å; D377-T380 PolarHBondContact OD2-N 2.82Å; D377-T380 PolarHBondContact OD2-OG1 3.27Å; D377-N381 VanDerWaalsContact O-CA 3.24Å; D377-N381 WeakPolarHBondContact O-CA 3.34Å; D377-N381 PolarHBondContact O-N 2.58Å; D377-T382 PolarHBondContact N-O 2.74Å; D377-T382 VanDerWaalsContact N-O 3.13Å | ||
| 378 | E | 68.2 | Low | 82.1 | Confident | 170 Ų | 170 | 63 Ų | 63 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.3 | 178.4 | -63.7 | -172.5 | 159.5 | 0 | 0 | 113.1 | I376 N381 | I376-E378 PolarHBondContact O-N 3.32Å; E378-N381 PolarHBondContact O-ND2 3.12Å |
| 379 | V | 69.8 | Low | 82 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 79% | 0.794 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -42.1 | -176.2 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | D377 | D377-V379 PolarHBondContact O-N 3.18Å; D377-V379 VanDerWaalsContact O-N 3.16Å; D377-V379 WeakPolarHBondContact OD1-CB 3.36Å; D377-V379 PolarHBondContact OD1-N 2.74Å |
| 380 | T | 70.7 | Confident | 81.9 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -12.6 | 178.5 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | D377 T382 | D377-T380 PolarHBondContact O-N 3.27Å; D377-T380 WeakPolarHBondContact OD2-CB 3.21Å; D377-T380 WeakPolarHBondContact OD2-CG2 3.39Å; D377-T380 PolarHBondContact OD2-N 2.82Å; D377-T380 PolarHBondContact OD2-OG1 3.27Å; T380-T382 PolarHBondContact O-N 2.91Å; T380-T382 PolarHBondContact OG1-N 2.96Å; T380-T382 PolarHBondContact OG1-OG1 3.07Å |
| 381 | N | 73.4 | Confident | 81.7 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | trans | 55.5 | 20.7 | -168.6 | -81.7 | -93.6 | 0 | 0 | 0 | 114.4 | D377 E378 W409 | D377-N381 VanDerWaalsContact O-CA 3.24Å; D377-N381 WeakPolarHBondContact O-CA 3.34Å; D377-N381 PolarHBondContact O-N 2.58Å; E378-N381 PolarHBondContact O-ND2 3.12Å; N381-W409 PolarHBondContact O-NE1 2.9Å | ||
| 382 | T | 78.4 | Confident | 81.7 | Confident | 83 Ų | 83 | 65 Ų | 65 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | trans | -87.5 | 151.3 | 174.2 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | D377 T380 | D377-T382 PolarHBondContact N-O 2.74Å; D377-T382 VanDerWaalsContact N-O 3.13Å; T380-T382 PolarHBondContact O-N 2.91Å; T380-T382 PolarHBondContact OG1-N 2.96Å; T380-T382 PolarHBondContact OG1-OG1 3.07Å | ||
| 383 | I | 80.1 | Confident | 81.8 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -100 | 126.4 | 177.9 | -162 | 179 | 0 | 0 | 0 | 109.8 | V375 I376 M385 Y390 Y400 W409 | V375-I383 HydrophobicContact CG2-CG1 4.33Å; V375-I383 CarbonylContact O-C 3.57Å; V375-I383 VanDerWaalsContact O-CA 3.27Å; V375-I383 WeakPolarHBondContact O-CA 3.46Å; V375-I383 WeakPolarHBondContact O-CG1 3.42Å; I376-I383 HydrophobicContact CG1-CG1 4.44Å; I383-M385 HydrophobicContact CG2-CE 3.45Å; I383-M385 VanDerWaalsContact CG2-CE 3.45Å; I383-M385 HydrophobicContact CG2-SD 3.96Å; I383-M385 PolarHBondContact O-N 3.3Å; I383-M385 VanDerWaalsContact O-N 3.11Å; I383-Y390 HydrophobicContact CD1-CD2 3.67Å; I383-Y390 HydrophobicContact CD1-CE2 3.92Å; I383-Y390 HydrophobicContact CG1-CD2 4.3Å; I383-Y400 VanDerWaalsContact CD1-CB 3.48Å; I383-Y400 HydrophobicContact CD1-CD2 3.99Å; I383-Y400 HydrophobicContact CD1-CG 3.82Å; I383-W409 HydrophobicContact CB-CH2 3.7Å; I383-W409 HydrophobicContact CB-CZ2 3.83Å; I383-W409 HydrophobicContact CB-CZ3 4.06Å; I383-W409 HydrophobicContact CD1-CE3 4.05Å; I383-W409 HydrophobicContact CD1-CH2 4.46Å; I383-W409 HydrophobicContact CD1-CZ3 3.94Å; I383-W409 HydrophobicContact CG2-CH2 3.43Å; I383-W409 VanDerWaalsContact CG2-CH2 3.43Å; I383-W409 HydrophobicContact CG2-CZ2 4.01Å; I383-W409 HydrophobicContact CG2-CZ3 3.86Å |
| 384 | Q | 79.3 | Confident | 81.8 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | trans | -82.7 | 94.4 | -177.2 | -168.3 | 167.4 | -15.1 | 0 | 0 | 110.7 | E374 V375 D386 S387 | E374-Q384 WeakPolarHBondContact O-CB 3.4Å; E374-Q384 PolarHBondContact O-OE1 2.86Å; V375-Q384 PolarHBondContact O-N 3.23Å; Q384-D386 PolarHBondContact O-N 3.37Å; Q384-S387 PolarHBondContact O-N 3.13Å; Q384-S387 VanDerWaalsContact O-N 3.15Å | ||
| 385 | M | 79.9 | Confident | 81.9 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.8 | -176.1 | -58.3 | -65.6 | 179 | 0 | 0 | 114.7 | I383 Y390 | I383-M385 HydrophobicContact CG2-CE 3.45Å; I383-M385 VanDerWaalsContact CG2-CE 3.45Å; I383-M385 HydrophobicContact CG2-SD 3.96Å; I383-M385 PolarHBondContact O-N 3.3Å; I383-M385 VanDerWaalsContact O-N 3.11Å; M385-Y390 HydrophobicContact CB-CD1 4.43Å; M385-Y390 HydrophobicContact CB-CE1 4.22Å; M385-Y390 WeakPolarHBondContact O-CD1 3.39Å; M385-Y390 HydrophobicContact SD-CD1 4.4Å; M385-Y390 HydrophobicContact SD-CE1 3.64Å; M385-Y390 HydrophobicContact SD-CE2 3.92Å; M385-Y390 PolarHBondContact SD-OH 3.23Å; M385-Y390 VanDerWaalsContact SD-OH 3.38Å |
| 386 | D | 82.1 | Confident | 82.1 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -26.1 | -177.9 | -67 | -50.9 | 0 | 0 | 0 | 113.7 | Q384 Q391 T441 | Q384-D386 PolarHBondContact O-N 3.37Å; D386-Q391 PolarHBondContact O-NE2 2.83Å; D386-T441 WeakPolarHBondContact O-CB 3.48Å; D386-T441 PolarHBondContact O-OG1 3.25Å |
| 387 | S | 89.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -64.1 | 146.3 | -169.7 | 177.3 | 0 | 0 | 0 | 0 | 113.4 | Q384 L389 Y390 Q391 E445 | Q384-S387 PolarHBondContact O-N 3.13Å; Q384-S387 VanDerWaalsContact O-N 3.15Å; S387-L389 PolarHBondContact O-N 3.43Å; S387-Y390 PolarHBondContact O-N 3.05Å; S387-Q391 PolarHBondContact O-N 3.17Å; S387-Q391 VanDerWaalsContact O-N 3.1Å; S387-E445 WeakPolarHBondContact CA-OE1 3.5Å; S387-E445 WeakPolarHBondContact CB-OE1 3.44Å; S387-E445 PolarHBondContact OG-OE1 2.89Å |
| 388 | W | 90.4 | Very high | 82.9 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -50.7 | -34.5 | 179.5 | 84.6 | -92.3 | 0 | 0 | 0 | 113.1 | W367 Q391 L392 S422 I438 E445 | W367-W388 AromaticContact CD1-CE2 3.66Å; W367-W388 AromaticContact CD1-CH2 3.89Å; W367-W388 AromaticContact CD1-CZ2 3.57Å; W367-W388 AromaticContact CE2-CD1 3.61Å; W367-W388 AromaticContact CE2-CD2 3.63Å; W367-W388 AromaticContact CE2-CE2 3.66Å; W367-W388 AromaticContact CE2-CG 3.67Å; W367-W388 AromaticContact CE2-NE1 3.57Å; W367-W388 HydrophobicContact CG-CZ2 4.41Å; W367-W388 HydrophobicContact CH2-CB 4.39Å; W367-W388 AromaticContact CH2-CD1 3.9Å; W367-W388 HydrophobicContact CH2-CG 4.15Å; W367-W388 HydrophobicContact CZ2-CB 3.71Å; W367-W388 AromaticContact CZ2-CD1 3.39Å; W367-W388 AromaticContact CZ2-CD2 3.79Å; W367-W388 HydrophobicContact CZ2-CD2 3.79Å; W367-W388 AromaticContact CZ2-CG 3.32Å; W367-W388 HydrophobicContact CZ2-CG 3.32Å; W367-W388 AromaticContact CZ2-NE1 3.88Å; W367-W388 AromaticContact NE1-CD1 3.96Å; W367-W388 AromaticContact NE1-CD2 3.22Å; W367-W388 AromaticContact NE1-CE2 3.19Å; W367-W388 AromaticContact NE1-CE3 3.51Å; W367-W388 AromaticContact NE1-CG 3.79Å; W367-W388 AromaticContact NE1-CH2 3.81Å; W367-W388 AromaticContact NE1-CZ2 3.53Å; W367-W388 AromaticContact NE1-CZ3 3.76Å; W367-W388 AromaticContact NE1-NE1 3.6Å; W367-W388 PolarHBondContact O-NE1 3.24Å; W388-Q391 PolarHBondContact O-N 3.31Å; W388-L392 HydrophobicContact CE3-CD2 4.43Å; W388-L392 HydrophobicContact CH2-CD2 4.47Å; W388-L392 HydrophobicContact CZ3-CD2 3.71Å; W388-L392 WeakPolarHBondContact O-CB 3.4Å; W388-L392 PolarHBondContact O-N 3.37Å; W388-S422 WeakPolarHBondContact CH2-OG 3.49Å; W388-I438 HydrophobicContact CB-CG2 4.34Å; W388-I438 HydrophobicContact CD2-CG2 4.35Å; W388-I438 HydrophobicContact CE3-CG2 3.72Å; W388-I438 HydrophobicContact CZ3-CD1 4.44Å; W388-I438 HydrophobicContact CZ3-CG2 4.47Å; W388-E445 VanDerWaalsContact CD1-OE1 3.25Å; W388-E445 PolarHBondContact N-OE1 2.96Å |
| 389 | L | 90.2 | Very high | 83.7 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.5 | -37.8 | -177.3 | -176.4 | 56.1 | 0 | 0 | 0 | 112.1 | Y368 G371 V375 S387 A393 L418 | Y368-L389 HydrophobicContact CE2-CD2 4.39Å; G371-L389 VanDerWaalsContact C-CD2 3.41Å; G371-L389 WeakPolarHBondContact O-CD2 3.23Å; V375-L389 HydrophobicContact CB-CB 4.33Å; V375-L389 HydrophobicContact CB-CD2 4.01Å; V375-L389 HydrophobicContact CB-CG 4.36Å; V375-L389 HydrophobicContact CG1-CD2 3.72Å; V375-L389 HydrophobicContact CG1-CG 4.4Å; V375-L389 HydrophobicContact CG2-CB 4.26Å; V375-L389 HydrophobicContact CG2-CD2 4.49Å; V375-L389 HydrophobicContact CG2-CG 4.33Å; S387-L389 PolarHBondContact O-N 3.43Å; L389-A393 PolarHBondContact O-N 3.11Å; L389-A393 VanDerWaalsContact O-N 3.13Å; L389-L418 HydrophobicContact CD1-CD2 3.23Å; L389-L418 HydrophobicContact CD1-CG 4.48Å |
| 390 | Y | 88.2 | Confident | 84.4 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.1 | -40.8 | 173.7 | -179.9 | -97.9 | 0 | 0 | 0 | 111.6 | I383 M385 S387 L392 A393 L394 Y400 | I383-Y390 HydrophobicContact CD1-CD2 3.67Å; I383-Y390 HydrophobicContact CD1-CE2 3.92Å; I383-Y390 HydrophobicContact CG1-CD2 4.3Å; M385-Y390 HydrophobicContact CB-CD1 4.43Å; M385-Y390 HydrophobicContact CB-CE1 4.22Å; M385-Y390 WeakPolarHBondContact O-CD1 3.39Å; M385-Y390 HydrophobicContact SD-CD1 4.4Å; M385-Y390 HydrophobicContact SD-CE1 3.64Å; M385-Y390 HydrophobicContact SD-CE2 3.92Å; M385-Y390 PolarHBondContact SD-OH 3.23Å; M385-Y390 VanDerWaalsContact SD-OH 3.38Å; S387-Y390 PolarHBondContact O-N 3.05Å; Y390-L392 VanDerWaalsContact C-N 3.3Å; Y390-L392 PolarHBondContact O-N 3.15Å; Y390-A393 WeakPolarHBondContact O-CB 3.38Å; Y390-A393 PolarHBondContact O-N 3.36Å; Y390-A393 VanDerWaalsContact O-N 3.16Å; Y390-L394 HydrophobicContact CD1-CD1 3.92Å; Y390-L394 HydrophobicContact CD1-CG 4.42Å; Y390-L394 HydrophobicContact CE1-CD1 3.41Å; Y390-L394 VanDerWaalsContact CE1-CD1 3.41Å; Y390-L394 HydrophobicContact CE1-CG 4Å; Y390-L394 PolarHBondContact O-N 3.46Å; Y390-Y400 HydrophobicContact CD2-CD2 4.01Å |
| 391 | Q | 87.6 | Confident | 85 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 41% | 0.407 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 175.8 | -62.6 | -168.9 | 12.3 | 0 | 0 | 112.4 | D386 S387 W388 L394 S395 | D386-Q391 PolarHBondContact O-NE2 2.83Å; S387-Q391 PolarHBondContact O-N 3.17Å; S387-Q391 VanDerWaalsContact O-N 3.1Å; W388-Q391 PolarHBondContact O-N 3.31Å; Q391-L394 PolarHBondContact O-N 3.13Å; Q391-S395 PolarHBondContact O-N 2.89Å; Q391-S395 PolarHBondContact O-OG 2.88Å |
| 392 | L | 90.3 | Very high | 85.3 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 172 | -176.3 | 65.4 | 0 | 0 | 0 | 112.4 | W388 Y390 L394 S395 I396 L418 S421 I438 | W388-L392 HydrophobicContact CE3-CD2 4.43Å; W388-L392 HydrophobicContact CH2-CD2 4.47Å; W388-L392 HydrophobicContact CZ3-CD2 3.71Å; W388-L392 WeakPolarHBondContact O-CB 3.4Å; W388-L392 PolarHBondContact O-N 3.37Å; Y390-L392 VanDerWaalsContact C-N 3.3Å; Y390-L392 PolarHBondContact O-N 3.15Å; L392-L394 VanDerWaalsContact C-N 3.27Å; L392-L394 PolarHBondContact O-N 2.9Å; L392-S395 PolarHBondContact O-N 2.85Å; L392-S395 PolarHBondContact O-OG 2.83Å; L392-I396 HydrophobicContact CD1-CD1 3.68Å; L392-I396 HydrophobicContact CD1-CG1 4.04Å; L392-I396 HydrophobicContact CD2-CD1 4.35Å; L392-I396 HydrophobicContact CG-CD1 3.77Å; L392-I396 HydrophobicContact CG-CG1 4.39Å; L392-I396 WeakPolarHBondContact O-CB 3.42Å; L392-I396 WeakPolarHBondContact O-CG1 3.28Å; L392-I396 PolarHBondContact O-N 3.18Å; L392-L418 HydrophobicContact CD2-CD2 3.97Å; L392-S421 VanDerWaalsContact CD2-CB 3.45Å; L392-I438 HydrophobicContact CD1-CD1 4.36Å |
| 393 | A | 88.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L389 Y390 G397 T398 Y400 P413 | L389-A393 PolarHBondContact O-N 3.11Å; L389-A393 VanDerWaalsContact O-N 3.13Å; Y390-A393 WeakPolarHBondContact O-CB 3.38Å; Y390-A393 PolarHBondContact O-N 3.36Å; Y390-A393 VanDerWaalsContact O-N 3.16Å; A393-G397 PolarHBondContact O-N 2.84Å; A393-T398 CarbonylContact O-C 3.25Å; A393-T398 VanDerWaalsContact O-C 3.25Å; A393-T398 PolarHBondContact O-N 3.24Å; A393-Y400 HydrophobicContact CB-CD2 3.82Å; A393-Y400 HydrophobicContact CB-CE2 3.61Å; A393-P413 HydrophobicContact CB-CG 4.5Å |
| 394 | L | 87.3 | Confident | 85.1 | Confident | 91 Ų | 91 | 63.3 Ų | 63.3 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.4 | -47.9 | 172.5 | -74.5 | 173.5 | 0 | 0 | 0 | 112.7 | Y390 Q391 L392 I396 G397 P399 | Y390-L394 HydrophobicContact CD1-CD1 3.92Å; Y390-L394 HydrophobicContact CD1-CG 4.42Å; Y390-L394 HydrophobicContact CE1-CD1 3.41Å; Y390-L394 VanDerWaalsContact CE1-CD1 3.41Å; Y390-L394 HydrophobicContact CE1-CG 4Å; Y390-L394 PolarHBondContact O-N 3.46Å; Q391-L394 PolarHBondContact O-N 3.13Å; L392-L394 VanDerWaalsContact C-N 3.27Å; L392-L394 PolarHBondContact O-N 2.9Å; L394-I396 VanDerWaalsContact C-N 3.34Å; L394-I396 PolarHBondContact O-N 2.95Å; L394-G397 PolarHBondContact O-N 3.29Å; L394-P399 HydrophobicContact CD2-CB 4.2Å |
| 395 | S | 86.8 | Confident | 84.9 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 63% | 0.629 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -70.1 | -28.2 | -175.3 | 66 | 0 | 0 | 0 | 0 | 113.8 | Q391 L392 G397 | Q391-S395 PolarHBondContact O-N 2.89Å; Q391-S395 PolarHBondContact O-OG 2.88Å; L392-S395 PolarHBondContact O-N 2.85Å; L392-S395 PolarHBondContact O-OG 2.83Å; S395-G397 VanDerWaalsContact C-N 3.33Å |
| 396 | I | 86.9 | Confident | 84.4 | Confident | 72 Ų | 72 | 62.3 Ų | 62.3 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -78.5 | -16.8 | 171.6 | -66.1 | 178.2 | 0 | 0 | 0 | 112.1 | L392 L394 T398 P413 S417 | L392-I396 HydrophobicContact CD1-CD1 3.68Å; L392-I396 HydrophobicContact CD1-CG1 4.04Å; L392-I396 HydrophobicContact CD2-CD1 4.35Å; L392-I396 HydrophobicContact CG-CD1 3.77Å; L392-I396 HydrophobicContact CG-CG1 4.39Å; L392-I396 WeakPolarHBondContact O-CB 3.42Å; L392-I396 WeakPolarHBondContact O-CG1 3.28Å; L392-I396 PolarHBondContact O-N 3.18Å; L394-I396 VanDerWaalsContact C-N 3.34Å; L394-I396 PolarHBondContact O-N 2.95Å; I396-T398 HydrophobicContact CG2-CG2 4.28Å; I396-P413 HydrophobicContact CD1-CB 4.07Å; I396-S417 WeakPolarHBondContact CD1-OG 3.47Å |
| 397 | G | 85.3 | Confident | 83.9 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 15.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A393 L394 S395 P399 | A393-G397 PolarHBondContact O-N 2.84Å; L394-G397 PolarHBondContact O-N 3.29Å; S395-G397 VanDerWaalsContact C-N 3.33Å; G397-P399 VanDerWaalsContact O-CD 3.23Å; G397-P399 WeakPolarHBondContact O-CD 3.5Å |
| 398 | T | 88.2 | Confident | 83.3 | Confident | 57 Ų | 57 | 64.1 Ų | 64.1 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | trans | -116.6 | 63.2 | 177.5 | 56.3 | 0 | 0 | 0 | 0 | 111 | A393 I396 G412 P413 | A393-T398 CarbonylContact O-C 3.25Å; A393-T398 VanDerWaalsContact O-C 3.25Å; A393-T398 PolarHBondContact O-N 3.24Å; I396-T398 HydrophobicContact CG2-CG2 4.28Å; T398-G412 CarbonylContact O-C 3.4Å; T398-G412 WeakPolarHBondContact O-CA 3.36Å; T398-G412 PolarHBondContact O-N 2.63Å; T398-P413 WeakPolarHBondContact OG1-CA 3.05Å | ||
| 399 | P | 86 | Confident | 82.7 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | trans | -67.9 | 154.1 | -176.8 | 29.9 | -36.8 | 0 | 0 | 0 | 112.3 | L394 G397 | L394-P399 HydrophobicContact CD2-CB 4.2Å; G397-P399 VanDerWaalsContact O-CD 3.23Å; G397-P399 WeakPolarHBondContact O-CD 3.5Å | ||
| 400 | Y | 84.6 | Confident | 82 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | trans | -67.4 | 144.6 | 169.1 | -63.4 | -86.9 | 0 | 0 | 0 | 111.1 | V375 I383 Y390 A393 E410 | V375-Y400 HydrophobicContact CG2-CE2 4.35Å; I383-Y400 VanDerWaalsContact CD1-CB 3.48Å; I383-Y400 HydrophobicContact CD1-CD2 3.99Å; I383-Y400 HydrophobicContact CD1-CG 3.82Å; Y390-Y400 HydrophobicContact CD2-CD2 4.01Å; A393-Y400 HydrophobicContact CB-CD2 3.82Å; A393-Y400 HydrophobicContact CB-CE2 3.61Å; Y400-E410 CarbonylContact C-O 3.37Å | ||
| 401 | R | 81.9 | Confident | 81.3 | Confident | 183 Ų | 183 | 72.7 Ų | 72.7 | 69% | 0.691 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.6 | 179.5 | -67.3 | 179.9 | 173.7 | 175.3 | -1.6 | 109.3 | N403 E410 | R401-N403 PolarHBondContact O-N 2.95Å; R401-E410 PolarHBondContact N-O 3.3Å; R401-E410 PolarHBondContact O-N 2.91Å |
| 402 | Y | 80.4 | Confident | 81 | Confident | 106 Ų | 106 | 69.3 Ų | 69.3 | 42% | 0.416 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 119.4 | 175.1 | -173.6 | -112.4 | 0 | 0 | 0 | 110.6 | T404 W409 | Y402-T404 HydrophobicContact CE1-CG2 4.35Å; Y402-T404 PolarHBondContact O-N 2.69Å; Y402-W409 AromaticContact CD2-CD2 3.89Å; Y402-W409 HydrophobicContact CD2-CD2 3.89Å; Y402-W409 AromaticContact CD2-CE2 3.64Å; Y402-W409 HydrophobicContact CD2-CE3 4.44Å; Y402-W409 HydrophobicContact CD2-CG 4.21Å; Y402-W409 AromaticContact CD2-CZ2 3.98Å; Y402-W409 HydrophobicContact CD2-CZ2 3.98Å; Y402-W409 AromaticContact CD2-NE1 3.81Å; Y402-W409 HydrophobicContact CG-CZ2 4.36Å |
| 403 | N | 80.9 | Confident | 80.9 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 93.9 | 172.6 | -176.2 | -3.5 | 0 | 0 | 0 | 110.2 | R401 S405 A406 G407 I408 E410 | R401-N403 PolarHBondContact O-N 2.95Å; N403-S405 PolarHBondContact ND2-OG 2.81Å; N403-S405 PolarHBondContact O-N 2.74Å; N403-S405 WeakPolarHBondContact OD1-CB 3.38Å; N403-S405 PolarHBondContact OD1-N 3.48Å; N403-S405 PolarHBondContact OD1-OG 2.86Å; N403-A406 HydrophobicContact CB-CB 4.37Å; N403-A406 PolarHBondContact O-N 2.68Å; N403-G407 PolarHBondContact O-N 3.46Å; N403-I408 PolarHBondContact N-O 2.72Å; N403-E410 HydrophobicContact CB-CG 4.18Å; N403-E410 WeakPolarHBondContact CB-OE1 3.25Å; N403-E410 PolarHBondContact ND2-OE1 3.13Å |
| 404 | T | 72.2 | Confident | 80.8 | Confident | 119 Ų | 119 | 72.9 Ų | 72.9 | 73% | 0.73 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -20.1 | 178.2 | -38.3 | 0 | 0 | 0 | 0 | 114.1 | Y402 | Y402-T404 HydrophobicContact CE1-CG2 4.35Å; Y402-T404 PolarHBondContact O-N 2.69Å |
| 405 | S | 75.2 | Confident | 80.7 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -21.1 | 177.2 | 71.9 | 0 | 0 | 0 | 0 | 114.2 | N403 | N403-S405 PolarHBondContact ND2-OG 2.81Å; N403-S405 PolarHBondContact O-N 2.74Å; N403-S405 WeakPolarHBondContact OD1-CB 3.38Å; N403-S405 PolarHBondContact OD1-N 3.48Å; N403-S405 PolarHBondContact OD1-OG 2.86Å |
| 406 | A | 70.2 | Confident | 80.7 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -19 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N403 I408 | N403-A406 HydrophobicContact CB-CB 4.37Å; N403-A406 PolarHBondContact O-N 2.68Å; A406-I408 VanDerWaalsContact C-N 3.26Å; A406-I408 HydrophobicContact CB-CB 4.24Å; A406-I408 HydrophobicContact CB-CD1 4.37Å; A406-I408 HydrophobicContact CB-CG1 4.41Å |
| 407 | G | 70.9 | Confident | 80.9 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 21.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N403 | N403-G407 PolarHBondContact O-N 3.46Š|
| 408 | I | 76.8 | Confident | 81.1 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.7 | -170.9 | -66.2 | 170.8 | 0 | 0 | 0 | 109.6 | N403 A406 | N403-I408 PolarHBondContact N-O 2.72Å; A406-I408 VanDerWaalsContact C-N 3.26Å; A406-I408 HydrophobicContact CB-CB 4.24Å; A406-I408 HydrophobicContact CB-CD1 4.37Å; A406-I408 HydrophobicContact CB-CG1 4.41Å |
| 409 | W | 77.6 | Confident | 81.4 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 120.2 | 168.6 | -70.7 | 95.2 | 0 | 0 | 0 | 110.3 | I376 N381 I383 Y402 | I376-W409 HydrophobicContact CD1-CB 3.95Å; I376-W409 HydrophobicContact CD1-CG 4.05Å; I376-W409 HydrophobicContact CG1-CG 4.39Å; N381-W409 PolarHBondContact O-NE1 2.9Å; I383-W409 HydrophobicContact CB-CH2 3.7Å; I383-W409 HydrophobicContact CB-CZ2 3.83Å; I383-W409 HydrophobicContact CB-CZ3 4.06Å; I383-W409 HydrophobicContact CD1-CE3 4.05Å; I383-W409 HydrophobicContact CD1-CH2 4.46Å; I383-W409 HydrophobicContact CD1-CZ3 3.94Å; I383-W409 HydrophobicContact CG2-CH2 3.43Å; I383-W409 VanDerWaalsContact CG2-CH2 3.43Å; I383-W409 HydrophobicContact CG2-CZ2 4.01Å; I383-W409 HydrophobicContact CG2-CZ3 3.86Å; Y402-W409 AromaticContact CD2-CD2 3.89Å; Y402-W409 HydrophobicContact CD2-CD2 3.89Å; Y402-W409 AromaticContact CD2-CE2 3.64Å; Y402-W409 HydrophobicContact CD2-CE3 4.44Å; Y402-W409 HydrophobicContact CD2-CG 4.21Å; Y402-W409 AromaticContact CD2-CZ2 3.98Å; Y402-W409 HydrophobicContact CD2-CZ2 3.98Å; Y402-W409 AromaticContact CD2-NE1 3.81Å; Y402-W409 HydrophobicContact CG-CZ2 4.36Å |
| 410 | E | 76.1 | Confident | 81.8 | Confident | 97 Ų | 97 | 71.9 Ų | 71.9 | 45% | 0.453 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 153.3 | 179.4 | -68.9 | 179 | -168 | 0 | 0 | 111.3 | Y400 R401 N403 | Y400-E410 CarbonylContact C-O 3.37Å; R401-E410 PolarHBondContact N-O 3.3Å; R401-E410 PolarHBondContact O-N 2.91Å; N403-E410 HydrophobicContact CB-CG 4.18Å; N403-E410 WeakPolarHBondContact CB-OE1 3.25Å; N403-E410 PolarHBondContact ND2-OE1 3.13Å |
| 411 | G | 73.8 | Confident | 82.2 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 67% | 0.67 | 40% | 0.404 | S | S | * | . | trans | 93.6 | -150.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 412 | G | 81.8 | Confident | 82.8 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 18% | 0.175 | 37% | 0.371 | C | S | . | . | trans | 87 | 166.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T398 | T398-G412 CarbonylContact O-C 3.4Å; T398-G412 WeakPolarHBondContact O-CA 3.36Å; T398-G412 PolarHBondContact O-N 2.63Å | ||
| 413 | P | 86.8 | Confident | 83.5 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | trans | -75.5 | 164.2 | 179.7 | 32.5 | -38 | 0 | 0 | 0 | 113 | A393 I396 T398 L418 | A393-P413 HydrophobicContact CB-CG 4.5Å; I396-P413 HydrophobicContact CD1-CB 4.07Å; T398-P413 WeakPolarHBondContact OG1-CA 3.05Å; P413-L418 HydrophobicContact CB-CD2 4.48Å; P413-L418 HydrophobicContact CB-CG 4.46Å; P413-L418 HydrophobicContact CG-CD1 4.22Å; P413-L418 HydrophobicContact CG-CD2 3.5Å; P413-L418 VanDerWaalsContact CG-CD2 3.5Å; P413-L418 HydrophobicContact CG-CG 3.81Å | ||
| 414 | S | 87.1 | Confident | 84.2 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | trans | -70 | 149.1 | -179.3 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | D416 S417 L418 | S414-D416 VanDerWaalsContact C-N 3.26Å; S414-D416 PolarHBondContact O-N 2.92Å; S414-S417 WeakPolarHBondContact O-CB 3.07Å; S414-S417 PolarHBondContact O-N 2.69Å; S414-S417 WeakPolarHBondContact OG-CB 3.5Å; S414-S417 PolarHBondContact OG-N 3.27Å; S414-L418 WeakPolarHBondContact O-CG 3.41Å; S414-L418 PolarHBondContact O-N 3.22Å | ||
| 415 | K | 84.5 | Confident | 85.3 | Confident | 89 Ų | 89 | 56 Ų | 56 | 39% | 0.387 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.1 | -36.8 | -179.2 | -67.2 | -161 | 173.6 | -161.1 | 0 | 113.4 | F238 K239 L418 Y419 | F238-K415 PolarHBondContact O-NZ 2.82Å; K239-K415 PolarHBondContact O-NZ 2.82Å; K239-K415 VanDerWaalsContact O-NZ 3.11Å; K415-L418 PolarHBondContact O-N 2.95Å; K415-Y419 PolarHBondContact O-N 3.42Å |
| 416 | D | 87.4 | Confident | 86.2 | Confident | 112 Ų | 112 | 50.8 Ų | 50.8 | 60% | 0.599 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 177.4 | -53 | -37.3 | 0 | 0 | 0 | 111.2 | S414 L418 Y419 V420 | S414-D416 VanDerWaalsContact C-N 3.26Å; S414-D416 PolarHBondContact O-N 2.92Å; D416-L418 VanDerWaalsContact C-N 3.35Å; D416-Y419 PolarHBondContact O-N 2.83Å; D416-V420 WeakPolarHBondContact O-CG2 3.22Å; D416-V420 PolarHBondContact O-N 2.82Å |
| 417 | S | 90.6 | Very high | 87.4 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 174.5 | -167 | 0 | 0 | 0 | 0 | 111.4 | I396 S414 V420 S421 | I396-S417 WeakPolarHBondContact CD1-OG 3.47Å; S414-S417 WeakPolarHBondContact O-CB 3.07Å; S414-S417 PolarHBondContact O-N 2.69Å; S414-S417 WeakPolarHBondContact OG-CB 3.5Å; S414-S417 PolarHBondContact OG-N 3.27Å; S417-V420 PolarHBondContact O-N 3.08Å; S417-S421 VanDerWaalsContact O-CB 3.28Å; S417-S421 WeakPolarHBondContact O-CB 3.36Å; S417-S421 PolarHBondContact O-N 3.22Å; S417-S421 PolarHBondContact O-OG 2.94Å; S417-S421 VanDerWaalsContact O-OG 3.11Å |
| 418 | L | 91.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 175.9 | -73.5 | 172.2 | 0 | 0 | 0 | 111.9 | F238 Y368 L389 L392 P413 S414 K415 D416 V420 S421 S422 | F238-L418 HydrophobicContact CE1-CB 4.14Å; Y368-L418 HydrophobicContact CD2-CB 4.49Å; Y368-L418 HydrophobicContact CE2-CB 4.46Å; Y368-L418 HydrophobicContact CE2-CD1 3.93Å; L389-L418 HydrophobicContact CD1-CD2 3.23Å; L389-L418 HydrophobicContact CD1-CG 4.48Å; L392-L418 HydrophobicContact CD2-CD2 3.97Å; P413-L418 HydrophobicContact CB-CD2 4.48Å; P413-L418 HydrophobicContact CB-CG 4.46Å; P413-L418 HydrophobicContact CG-CD1 4.22Å; P413-L418 HydrophobicContact CG-CD2 3.5Å; P413-L418 VanDerWaalsContact CG-CD2 3.5Å; P413-L418 HydrophobicContact CG-CG 3.81Å; S414-L418 WeakPolarHBondContact O-CG 3.41Å; S414-L418 PolarHBondContact O-N 3.22Å; K415-L418 PolarHBondContact O-N 2.95Å; D416-L418 VanDerWaalsContact C-N 3.35Å; L418-V420 PolarHBondContact O-N 3.43Å; L418-S421 PolarHBondContact O-N 2.99Å; L418-S422 WeakPolarHBondContact O-CB 3.48Å; L418-S422 PolarHBondContact O-N 3.24Å; L418-S422 PolarHBondContact O-OG 3.46Å |
| 419 | Y | 93.6 | Very high | 89.3 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 176.6 | 175 | -108 | 0 | 0 | 0 | 112.2 | Y234 F238 H361 K415 D416 S422 L423 | Y234-Y419 AromaticContact CD2-CD2 3.92Å; Y234-Y419 HydrophobicContact CD2-CD2 3.92Å; Y234-Y419 HydrophobicContact CD2-CE2 4.19Å; Y234-Y419 HydrophobicContact CD2-CG 4.37Å; Y234-Y419 HydrophobicContact CE2-CD2 4.03Å; Y234-Y419 HydrophobicContact CE2-CG 4.02Å; F238-Y419 AromaticContact CE2-CD2 3.73Å; F238-Y419 HydrophobicContact CE2-CD2 3.73Å; F238-Y419 AromaticContact CZ-CD2 3.83Å; F238-Y419 HydrophobicContact CZ-CD2 3.83Å; F238-Y419 HydrophobicContact CZ-CG 4.36Å; H361-Y419 AromaticContact CE1-CE2 3.78Å; H361-Y419 AromaticContact ND1-CE2 3.48Å; H361-Y419 WeakPolarHBondContact ND1-CE2 3.43Å; H361-Y419 AromaticContact ND1-CZ 3.62Å; H361-Y419 PolarHBondContact ND1-OH 2.84Å; K415-Y419 PolarHBondContact O-N 3.42Å; D416-Y419 PolarHBondContact O-N 2.83Å; Y419-S422 PolarHBondContact O-N 3.37Å; Y419-L423 HydrophobicContact CE1-CD2 4.28Å; Y419-L423 WeakPolarHBondContact O-CB 3.48Å; Y419-L423 PolarHBondContact O-N 2.88Å |
| 420 | V | 94.1 | Very high | 90.1 | Very high | 94 Ų | 94 | 43.3 Ų | 43.3 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.1 | -42.3 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | D416 S417 L418 L423 Y424 | D416-V420 WeakPolarHBondContact O-CG2 3.22Å; D416-V420 PolarHBondContact O-N 2.82Å; S417-V420 PolarHBondContact O-N 3.08Å; L418-V420 PolarHBondContact O-N 3.43Å; V420-L423 PolarHBondContact O-N 3Å; V420-Y424 VanDerWaalsContact O-CB 3.25Å; V420-Y424 WeakPolarHBondContact O-CB 3.11Å; V420-Y424 PolarHBondContact O-N 2.64Å |
| 421 | S | 93.7 | Very high | 90.9 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | 177.1 | -72.5 | 0 | 0 | 0 | 0 | 112.8 | L392 S417 L418 Y424 F425 I438 | L392-S421 VanDerWaalsContact CD2-CB 3.45Å; S417-S421 VanDerWaalsContact O-CB 3.28Å; S417-S421 WeakPolarHBondContact O-CB 3.36Å; S417-S421 PolarHBondContact O-N 3.22Å; S417-S421 PolarHBondContact O-OG 2.94Å; S417-S421 VanDerWaalsContact O-OG 3.11Å; L418-S421 PolarHBondContact O-N 2.99Å; S421-Y424 PolarHBondContact O-N 2.83Å; S421-F425 PolarHBondContact O-N 2.81Å; S421-I438 WeakPolarHBondContact O-CD1 3.47Å |
| 422 | S | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.1 | -67.1 | 0 | 0 | 0 | 0 | 112 | W388 L418 Y419 F425 T426 | W388-S422 WeakPolarHBondContact CH2-OG 3.49Å; L418-S422 WeakPolarHBondContact O-CB 3.48Å; L418-S422 PolarHBondContact O-N 3.24Å; L418-S422 PolarHBondContact O-OG 3.46Å; Y419-S422 PolarHBondContact O-N 3.37Å; S422-F425 PolarHBondContact O-N 2.82Å; S422-T426 PolarHBondContact O-N 3.21Å; S422-T426 PolarHBondContact O-OG1 2.96Å |
| 423 | L | 95.2 | Very high | 92.4 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 178.5 | -175.5 | 64.6 | 0 | 0 | 0 | 112 | A360 H361 A364 Y419 V420 T426 M427 | A360-L423 HydrophobicContact CB-CD1 4.22Å; H361-L423 HydrophobicContact CB-CD1 4.47Å; A364-L423 HydrophobicContact CB-CB 4.17Å; A364-L423 HydrophobicContact CB-CD1 4.19Å; Y419-L423 HydrophobicContact CE1-CD2 4.28Å; Y419-L423 WeakPolarHBondContact O-CB 3.48Å; Y419-L423 PolarHBondContact O-N 2.88Å; V420-L423 PolarHBondContact O-N 3Å; L423-T426 PolarHBondContact O-OG1 3.13Å; L423-M427 HydrophobicContact CD1-CG 4.23Å; L423-M427 HydrophobicContact CG-CG 4.3Å; L423-M427 WeakPolarHBondContact O-CB 3.27Å; L423-M427 WeakPolarHBondContact O-CG 3.21Å; L423-M427 PolarHBondContact O-N 3.02Å |
| 424 | Y | 95.2 | Very high | 92.6 | Very high | 81 Ų | 81 | 47.3 Ų | 47.3 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 171.9 | 166.9 | -101.7 | 0 | 0 | 0 | 111.2 | V420 S421 M427 T428 F435 N437 I438 | V420-Y424 VanDerWaalsContact O-CB 3.25Å; V420-Y424 WeakPolarHBondContact O-CB 3.11Å; V420-Y424 PolarHBondContact O-N 2.64Å; S421-Y424 PolarHBondContact O-N 2.83Å; Y424-M427 PolarHBondContact O-N 2.81Å; Y424-T428 HydrophobicContact CD2-CG2 4.03Å; Y424-T428 HydrophobicContact CE2-CG2 3.82Å; Y424-T428 WeakPolarHBondContact O-CG2 3.39Å; Y424-T428 PolarHBondContact O-N 2.94Å; Y424-T428 PolarHBondContact O-OG1 3.46Å; Y424-F435 AromaticContact CE2-CD2 3.94Å; Y424-F435 HydrophobicContact CE2-CD2 3.94Å; Y424-F435 HydrophobicContact CE2-CE2 4.23Å; Y424-F435 AromaticContact CZ-CD2 3.82Å; Y424-F435 WeakPolarHBondContact OH-CD2 3.49Å; Y424-N437 HydrophobicContact CE1-CB 4.28Å; Y424-N437 PolarHBondContact OH-ND2 3.06Å; Y424-I438 HydrophobicContact CD1-CD1 4.32Å |
| 425 | F | 94.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -53.1 | 177.9 | 176.2 | -115.4 | 0 | 0 | 0 | 111.7 | W367 S421 S422 M427 T428 S429 I438 M452 | W367-F425 AromaticContact CD1-CD1 3.79Å; W367-F425 AromaticContact CD2-CD1 3.6Å; W367-F425 HydrophobicContact CD2-CD1 3.6Å; W367-F425 AromaticContact CD2-CE1 3.57Å; W367-F425 HydrophobicContact CD2-CE1 3.57Å; W367-F425 AromaticContact CE2-CD1 3.27Å; W367-F425 AromaticContact CE2-CE1 3.35Å; W367-F425 HydrophobicContact CE3-CD1 4.28Å; W367-F425 AromaticContact CE3-CE1 3.78Å; W367-F425 HydrophobicContact CE3-CE1 3.78Å; W367-F425 AromaticContact CG-CD1 3.89Å; W367-F425 HydrophobicContact CG-CD1 3.89Å; W367-F425 HydrophobicContact CG-CE1 4.29Å; W367-F425 HydrophobicContact CH2-CD1 4.34Å; W367-F425 AromaticContact CH2-CE1 3.57Å; W367-F425 HydrophobicContact CH2-CE1 3.57Å; W367-F425 AromaticContact CH2-CZ 3.96Å; W367-F425 HydrophobicContact CH2-CZ 3.96Å; W367-F425 AromaticContact CZ2-CD1 3.69Å; W367-F425 HydrophobicContact CZ2-CD1 3.69Å; W367-F425 AromaticContact CZ2-CE1 3.36Å; W367-F425 HydrophobicContact CZ2-CE1 3.36Å; W367-F425 HydrophobicContact CZ2-CG 4.44Å; W367-F425 AromaticContact CZ2-CZ 3.91Å; W367-F425 HydrophobicContact CZ2-CZ 3.91Å; W367-F425 AromaticContact CZ3-CE1 3.77Å; W367-F425 HydrophobicContact CZ3-CE1 3.77Å; W367-F425 HydrophobicContact CZ3-CZ 4.42Å; W367-F425 AromaticContact NE1-CD1 3.41Å; W367-F425 AromaticContact NE1-CE1 4Å; S421-F425 PolarHBondContact O-N 2.81Å; S422-F425 PolarHBondContact O-N 2.82Å; F425-M427 PolarHBondContact O-N 3.15Å; F425-T428 PolarHBondContact O-N 2.98Å; F425-T428 VanDerWaalsContact O-N 3.16Å; F425-T428 PolarHBondContact O-OG1 2.69Å; F425-S429 PolarHBondContact O-N 3.18Å; F425-I438 HydrophobicContact CB-CB 4.23Å; F425-I438 HydrophobicContact CB-CD1 4.45Å; F425-I438 HydrophobicContact CB-CG2 4.03Å; F425-I438 HydrophobicContact CD2-CB 4.02Å; F425-I438 HydrophobicContact CD2-CG2 3.88Å; F425-I438 VanDerWaalsContact CD2-O 3.29Å; F425-I438 WeakPolarHBondContact CD2-O 3.29Å; F425-I438 WeakPolarHBondContact CE2-O 3.35Å; F425-I438 HydrophobicContact CG-CB 4.34Å; F425-I438 HydrophobicContact CG-CG2 3.91Å; F425-M452 HydrophobicContact CD1-CE 4.28Å; F425-M452 HydrophobicContact CE1-CE 3.59Å; F425-M452 HydrophobicContact CZ-CE 4.33Å |
| 426 | T | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -37.3 | -177.5 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | A360 L363 A364 W367 S422 L423 T428 S429 L430 M452 | A360-T426 PolarHBondContact O-OG1 3.37Å; L363-T426 HydrophobicContact CB-CG2 4.04Å; A364-T426 HydrophobicContact CB-CG2 4.25Å; W367-T426 HydrophobicContact CB-CG2 4.22Å; S422-T426 PolarHBondContact O-N 3.21Å; S422-T426 PolarHBondContact O-OG1 2.96Å; L423-T426 PolarHBondContact O-OG1 3.13Å; T426-T428 PolarHBondContact O-N 3.29Å; T426-S429 PolarHBondContact O-N 3.25Å; T426-L430 WeakPolarHBondContact O-CB 3.46Å; T426-L430 VanDerWaalsContact O-CG 3.24Å; T426-L430 WeakPolarHBondContact O-CG 3.36Å; T426-L430 PolarHBondContact O-N 2.96Å; T426-M452 HydrophobicContact CG2-CE 4.3Å; T426-M452 HydrophobicContact CG2-SD 3.69Å |
| 427 | M | 94.5 | Very high | 92.8 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 35% | 0.345 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 170.4 | -77 | -71.3 | -68.4 | 0 | 0 | 111.2 | F356 A360 L423 Y424 F425 S429 L430 T431 | F356-M427 HydrophobicContact CE1-CE 4.07Å; F356-M427 HydrophobicContact CE1-SD 3.95Å; A360-M427 HydrophobicContact CB-CG 4.13Å; A360-M427 HydrophobicContact CB-SD 3.54Å; A360-M427 VanDerWaalsContact CB-SD 3.54Å; L423-M427 HydrophobicContact CD1-CG 4.23Å; L423-M427 HydrophobicContact CG-CG 4.3Å; L423-M427 WeakPolarHBondContact O-CB 3.27Å; L423-M427 WeakPolarHBondContact O-CG 3.21Å; L423-M427 PolarHBondContact O-N 3.02Å; Y424-M427 PolarHBondContact O-N 2.81Å; F425-M427 PolarHBondContact O-N 3.15Å; M427-S429 VanDerWaalsContact C-N 3.28Å; M427-S429 PolarHBondContact O-N 3.46Å; M427-L430 PolarHBondContact O-N 3.3Å; M427-T431 WeakPolarHBondContact O-CG2 3.49Å; M427-T431 PolarHBondContact O-N 2.93Å; M427-T431 PolarHBondContact O-OG1 3.01Å |
| 428 | T | 94.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.2 | -26 | -177.7 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | Y424 F425 T426 T432 I433 G434 F435 | Y424-T428 HydrophobicContact CD2-CG2 4.03Å; Y424-T428 HydrophobicContact CE2-CG2 3.82Å; Y424-T428 WeakPolarHBondContact O-CG2 3.39Å; Y424-T428 PolarHBondContact O-N 2.94Å; Y424-T428 PolarHBondContact O-OG1 3.46Å; F425-T428 PolarHBondContact O-N 2.98Å; F425-T428 VanDerWaalsContact O-N 3.16Å; F425-T428 PolarHBondContact O-OG1 2.69Å; T426-T428 PolarHBondContact O-N 3.29Å; T428-T432 PolarHBondContact O-N 3.36Å; T428-I433 PolarHBondContact O-N 3.37Å; T428-G434 PolarHBondContact O-N 3.06Å; T428-F435 HydrophobicContact CG2-CD2 3.48Å; T428-F435 VanDerWaalsContact CG2-CD2 3.48Å; T428-F435 HydrophobicContact CG2-CE2 3.85Å |
| 429 | S | 94 | Very high | 92.7 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.1 | -49.1 | 171.1 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | F425 T426 M427 T431 T432 | F425-S429 PolarHBondContact O-N 3.18Å; T426-S429 PolarHBondContact O-N 3.25Å; M427-S429 VanDerWaalsContact C-N 3.28Å; M427-S429 PolarHBondContact O-N 3.46Å; S429-T431 PolarHBondContact O-N 3.12Å; S429-T432 PolarHBondContact O-N 3.01Å |
| 430 | L | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -32.3 | 179.6 | -69.8 | 173.3 | 0 | 0 | 0 | 113.6 | F356 A360 L363 T426 M427 T432 | F356-L430 HydrophobicContact CE2-CB 3.88Å; F356-L430 HydrophobicContact CZ-CB 3.8Å; A360-L430 VanDerWaalsContact CA-CD1 3.45Å; A360-L430 HydrophobicContact CB-CD1 3.54Å; L363-L430 HydrophobicContact CD1-CD1 4.23Å; L363-L430 HydrophobicContact CD1-CD2 3.91Å; L363-L430 HydrophobicContact CD1-CG 4.39Å; T426-L430 WeakPolarHBondContact O-CB 3.46Å; T426-L430 VanDerWaalsContact O-CG 3.24Å; T426-L430 WeakPolarHBondContact O-CG 3.36Å; T426-L430 PolarHBondContact O-N 2.96Å; M427-L430 PolarHBondContact O-N 3.3Å; L430-T432 VanDerWaalsContact C-N 3.28Å |
| 431 | T | 93.3 | Very high | 92.4 | Very high | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.8 | 172.3 | 64.6 | 0 | 0 | 0 | 0 | 113 | F356 M427 S429 I433 | F356-T431 HydrophobicContact CE1-CG2 4.24Å; F356-T431 HydrophobicContact CZ-CG2 3.8Å; M427-T431 WeakPolarHBondContact O-CG2 3.49Å; M427-T431 PolarHBondContact O-N 2.93Å; M427-T431 PolarHBondContact O-OG1 3.01Å; S429-T431 PolarHBondContact O-N 3.12Å; T431-I433 PolarHBondContact O-N 3.35Å; T431-I433 VanDerWaalsContact OG1-CD1 3.27Å; T431-I433 WeakPolarHBondContact OG1-CD1 3.47Å; T431-I433 WeakPolarHBondContact OG1-CG1 3.38Å |
| 432 | T | 92.5 | Very high | 92.3 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 60% | 0.595 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 23.6 | 179.3 | 63.8 | 0 | 0 | 0 | 0 | 115.6 | T428 S429 L430 | T428-T432 PolarHBondContact O-N 3.36Å; S429-T432 PolarHBondContact O-N 3.01Å; L430-T432 VanDerWaalsContact C-N 3.28Å |
| 433 | I | 94.7 | Very high | 92.1 | Very high | 96 Ų | 96 | 51.2 Ų | 51.2 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | trans | -85.1 | -43.2 | -178.9 | -61.9 | 172.3 | 0 | 0 | 0 | 111.6 | T428 T431 F435 | T428-I433 PolarHBondContact O-N 3.37Å; T431-I433 PolarHBondContact O-N 3.35Å; T431-I433 VanDerWaalsContact OG1-CD1 3.27Å; T431-I433 WeakPolarHBondContact OG1-CD1 3.47Å; T431-I433 WeakPolarHBondContact OG1-CG1 3.38Å; I433-F435 HydrophobicContact CG2-CD1 3.86Å; I433-F435 HydrophobicContact CG2-CD2 3.99Å; I433-F435 HydrophobicContact CG2-CE1 3.59Å; I433-F435 HydrophobicContact CG2-CE2 3.74Å; I433-F435 HydrophobicContact CG2-CG 4.06Å; I433-F435 HydrophobicContact CG2-CZ 3.53Å; I433-F435 PolarHBondContact O-N 2.93Å | ||
| 434 | G | 90.6 | Very high | 91.9 | Very high | 54 Ų | 54 | 52.8 Ų | 52.8 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | trans | 55.5 | 53.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | T428 G436 | T428-G434 PolarHBondContact O-N 3.06Å; G434-G436 PolarHBondContact O-N 3.34Å | ||
| 435 | F | 91 | Very high | 91.8 | Very high | 123 Ų | 123 | 48.9 Ų | 48.9 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | trans | -58.2 | -18.7 | -176.2 | -69.2 | -62.8 | 0 | 0 | 0 | 116 | Y424 T428 I433 N437 | Y424-F435 AromaticContact CE2-CD2 3.94Å; Y424-F435 HydrophobicContact CE2-CD2 3.94Å; Y424-F435 HydrophobicContact CE2-CE2 4.23Å; Y424-F435 AromaticContact CZ-CD2 3.82Å; Y424-F435 WeakPolarHBondContact OH-CD2 3.49Å; T428-F435 HydrophobicContact CG2-CD2 3.48Å; T428-F435 VanDerWaalsContact CG2-CD2 3.48Å; T428-F435 HydrophobicContact CG2-CE2 3.85Å; I433-F435 HydrophobicContact CG2-CD1 3.86Å; I433-F435 HydrophobicContact CG2-CD2 3.99Å; I433-F435 HydrophobicContact CG2-CE1 3.59Å; I433-F435 HydrophobicContact CG2-CE2 3.74Å; I433-F435 HydrophobicContact CG2-CG 4.06Å; I433-F435 HydrophobicContact CG2-CZ 3.53Å; I433-F435 PolarHBondContact O-N 2.93Å; F435-N437 VanDerWaalsContact C-N 3.29Å; F435-N437 PolarHBondContact O-N 2.97Å | ||
| 436 | G | 85.9 | Confident | 91.8 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 54% | 0.536 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 79.5 | -7.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G434 I438 | G434-G436 PolarHBondContact O-N 3.34Å; G436-I438 PolarHBondContact O-N 3.46Å |
| 437 | N | 86.5 | Confident | 91.8 | Very high | 123 Ų | 123 | 59.2 Ų | 59.2 | 66% | 0.658 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -59.9 | -26.6 | 176.2 | -67 | -33.1 | 0 | 0 | 0 | 113.8 | Y424 F435 | Y424-N437 HydrophobicContact CE1-CB 4.28Å; Y424-N437 PolarHBondContact OH-ND2 3.06Å; F435-N437 VanDerWaalsContact C-N 3.29Å; F435-N437 PolarHBondContact O-N 2.97Å |
| 438 | I | 89.6 | Confident | 91.8 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -130.7 | 131.3 | 166.8 | -61.4 | 174 | 0 | 0 | 0 | 104.6 | W367 W388 L392 S421 Y424 F425 G436 | W367-I438 HydrophobicContact CZ2-CG2 4.23Å; W388-I438 HydrophobicContact CB-CG2 4.34Å; W388-I438 HydrophobicContact CD2-CG2 4.35Å; W388-I438 HydrophobicContact CE3-CG2 3.72Å; W388-I438 HydrophobicContact CZ3-CD1 4.44Å; W388-I438 HydrophobicContact CZ3-CG2 4.47Å; L392-I438 HydrophobicContact CD1-CD1 4.36Å; S421-I438 WeakPolarHBondContact O-CD1 3.47Å; Y424-I438 HydrophobicContact CD1-CD1 4.32Å; F425-I438 HydrophobicContact CB-CB 4.23Å; F425-I438 HydrophobicContact CB-CD1 4.45Å; F425-I438 HydrophobicContact CB-CG2 4.03Å; F425-I438 HydrophobicContact CD2-CB 4.02Å; F425-I438 HydrophobicContact CD2-CG2 3.88Å; F425-I438 VanDerWaalsContact CD2-O 3.29Å; F425-I438 WeakPolarHBondContact CD2-O 3.29Å; F425-I438 WeakPolarHBondContact CE2-O 3.35Å; F425-I438 HydrophobicContact CG-CB 4.34Å; F425-I438 HydrophobicContact CG-CG2 3.91Å; G436-I438 PolarHBondContact O-N 3.46Å |
| 439 | A | 89.1 | Confident | 91.7 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | trans | -146.8 | 151.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 440 | P | 92.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 61.3 Ų | 61.3 | 24% | 0.24 | 36% | 0.359 | C | S | . | . | trans | -76.9 | 127.2 | 177.2 | 31.8 | -34.9 | 0 | 0 | 0 | 111.6 | W367 E445 K446 | W367-P440 HydrophobicContact CH2-CB 4.04Å; P440-E445 WeakPolarHBondContact CA-OE2 3.39Å; P440-E445 HydrophobicContact CB-CB 3.72Å; P440-K446 HydrophobicContact CB-CG 4.18Å | ||
| 441 | T | 90.6 | Very high | 91.8 | Very high | 43 Ų | 43 | 63.9 Ų | 63.9 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | trans | -120.5 | -34 | -176.4 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | D386 E445 K446 | D386-T441 WeakPolarHBondContact O-CB 3.48Å; D386-T441 PolarHBondContact O-OG1 3.25Å; T441-E445 PolarHBondContact N-OE2 3.05Å; T441-E445 PolarHBondContact OG1-OE2 3.29Å; T441-E445 VanDerWaalsContact OG1-OE2 3.09Å; T441-K446 WeakPolarHBondContact O-CE 3.36Å; T441-K446 PolarHBondContact O-NZ 3.43Å | ||
| 442 | T | 90.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.049 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -78.3 | 165.3 | 171.1 | 79.3 | 0 | 0 | 0 | 0 | 111 | E374 E445 K446 | E374-T442 VanDerWaalsContact CD-OG1 3.29Å; E374-T442 PolarHBondContact OE1-OG1 3.36Å; E374-T442 VanDerWaalsContact OE2-CB 3.32Å; E374-T442 WeakPolarHBondContact OE2-CB 3.37Å; E374-T442 VanDerWaalsContact OE2-CG2 3.31Å; E374-T442 WeakPolarHBondContact OE2-CG2 3.45Å; E374-T442 PolarHBondContact OE2-OG1 2.86Å; T442-E445 HydrophobicContact CG2-CG 4.39Å; T442-E445 PolarHBondContact N-OE2 3.43Å; T442-E445 VanDerWaalsContact OG1-CB 3.24Å; T442-E445 WeakPolarHBondContact OG1-CB 3.27Å; T442-E445 WeakPolarHBondContact OG1-CG 3.34Å; T442-E445 PolarHBondContact OG1-N 3.38Å; T442-E445 VanDerWaalsContact OG1-N 3.08Å; T442-K446 WeakPolarHBondContact O-CB 3.39Å; T442-K446 WeakPolarHBondContact O-CD 3.3Å; T442-K446 WeakPolarHBondContact O-CE 3.4Å; T442-K446 WeakPolarHBondContact O-CG 3.34Å; T442-K446 PolarHBondContact O-N 3.39Å |
| 443 | D | 91 | Very high | 91.9 | Very high | 119 Ų | 119 | 63.1 Ų | 63.1 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -76.6 | -27.7 | -179.5 | -67.9 | -20.8 | 0 | 0 | 0 | 112.7 | K446 M447 | D443-K446 IonicContact OD1-NZ 3.12Å; D443-K446 PolarHBondContact OD1-NZ 3.43Å; D443-M447 WeakPolarHBondContact O-CB 3.36Å; D443-M447 VanDerWaalsContact O-CG 3.23Å; D443-M447 WeakPolarHBondContact O-CG 3.21Å; D443-M447 PolarHBondContact O-N 2.85Å |
| 444 | V | 90.9 | Very high | 91.9 | Very high | 79 Ų | 79 | 64.3 Ų | 64.3 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.8 | -46.1 | 171.8 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | I370 E374 K446 M447 F448 | I370-V444 HydrophobicContact CG2-CG1 4.1Å; E374-V444 WeakPolarHBondContact OE1-CB 3.45Å; E374-V444 WeakPolarHBondContact OE1-CG2 3.13Å; V444-K446 VanDerWaalsContact C-N 3.33Å; V444-K446 PolarHBondContact O-N 2.95Å; V444-M447 PolarHBondContact O-N 3.27Å; V444-F448 WeakPolarHBondContact O-CB 3.27Å; V444-F448 PolarHBondContact O-N 3.17Å |
| 445 | E | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 173.6 | -74.8 | 170.9 | -171.4 | 0 | 0 | 111.6 | W367 I370 S387 W388 P440 T441 T442 S449 | W367-E445 HydrophobicContact CH2-CB 3.79Å; W367-E445 HydrophobicContact CH2-CG 3.75Å; W367-E445 HydrophobicContact CZ3-CB 3.8Å; W367-E445 HydrophobicContact CZ3-CG 3.85Å; I370-E445 HydrophobicContact CG2-CG 4.23Å; S387-E445 WeakPolarHBondContact CA-OE1 3.5Å; S387-E445 WeakPolarHBondContact CB-OE1 3.44Å; S387-E445 PolarHBondContact OG-OE1 2.89Å; W388-E445 VanDerWaalsContact CD1-OE1 3.25Å; W388-E445 PolarHBondContact N-OE1 2.96Å; P440-E445 WeakPolarHBondContact CA-OE2 3.39Å; P440-E445 HydrophobicContact CB-CB 3.72Å; T441-E445 PolarHBondContact N-OE2 3.05Å; T441-E445 PolarHBondContact OG1-OE2 3.29Å; T441-E445 VanDerWaalsContact OG1-OE2 3.09Å; T442-E445 HydrophobicContact CG2-CG 4.39Å; T442-E445 PolarHBondContact N-OE2 3.43Å; T442-E445 VanDerWaalsContact OG1-CB 3.24Å; T442-E445 WeakPolarHBondContact OG1-CB 3.27Å; T442-E445 WeakPolarHBondContact OG1-CG 3.34Å; T442-E445 PolarHBondContact OG1-N 3.38Å; T442-E445 VanDerWaalsContact OG1-N 3.08Å; E445-S449 WeakPolarHBondContact O-CB 3.45Å; E445-S449 PolarHBondContact O-N 2.96Å |
| 446 | K | 93.9 | Very high | 92.1 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 177 | -73.5 | 164.1 | -154.4 | 146.2 | 0 | 111.9 | P440 T441 T442 D443 V444 F448 S449 V450 | P440-K446 HydrophobicContact CB-CG 4.18Å; T441-K446 WeakPolarHBondContact O-CE 3.36Å; T441-K446 PolarHBondContact O-NZ 3.43Å; T442-K446 WeakPolarHBondContact O-CB 3.39Å; T442-K446 WeakPolarHBondContact O-CD 3.3Å; T442-K446 WeakPolarHBondContact O-CE 3.4Å; T442-K446 WeakPolarHBondContact O-CG 3.34Å; T442-K446 PolarHBondContact O-N 3.39Å; D443-K446 IonicContact OD1-NZ 3.12Å; D443-K446 PolarHBondContact OD1-NZ 3.43Å; V444-K446 VanDerWaalsContact C-N 3.33Å; V444-K446 PolarHBondContact O-N 2.95Å; K446-F448 VanDerWaalsContact C-N 3.31Å; K446-F448 PolarHBondContact O-N 3.23Å; K446-S449 PolarHBondContact O-N 2.73Å; K446-S449 VanDerWaalsContact O-N 3.16Å; K446-V450 WeakPolarHBondContact O-CG2 3.35Å; K446-V450 PolarHBondContact O-N 2.68Å |
| 447 | M | 94.4 | Very high | 92.4 | Very high | 142 Ų | 142 | 59 Ų | 59 | 70% | 0.7 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | -179.8 | -76.7 | -64.9 | -67.1 | 0 | 0 | 111.6 | D443 V444 V450 A451 | D443-M447 WeakPolarHBondContact O-CB 3.36Å; D443-M447 VanDerWaalsContact O-CG 3.23Å; D443-M447 WeakPolarHBondContact O-CG 3.21Å; D443-M447 PolarHBondContact O-N 2.85Å; V444-M447 PolarHBondContact O-N 3.27Å; M447-V450 PolarHBondContact O-N 2.71Å; M447-A451 PolarHBondContact O-N 2.95Å |
| 448 | F | 95.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67 | -40.3 | 174.1 | 178.7 | -108 | 0 | 0 | 0 | 112.3 | L363 I366 W367 I370 V444 K446 V450 A451 M452 | L363-F448 HydrophobicContact CB-CZ 4.44Å; L363-F448 HydrophobicContact CD2-CE2 4.04Å; L363-F448 HydrophobicContact CD2-CZ 3.84Å; I366-F448 HydrophobicContact CB-CE2 4.14Å; I366-F448 HydrophobicContact CB-CZ 3.82Å; I366-F448 HydrophobicContact CG2-CD2 4.16Å; I366-F448 HydrophobicContact CG2-CE1 4.32Å; I366-F448 HydrophobicContact CG2-CE2 3.42Å; I366-F448 VanDerWaalsContact CG2-CE2 3.42Å; I366-F448 HydrophobicContact CG2-CZ 3.51Å; W367-F448 HydrophobicContact CB-CE1 4.07Å; W367-F448 AromaticContact CE3-CD1 3.65Å; W367-F448 HydrophobicContact CE3-CD1 3.65Å; W367-F448 AromaticContact CE3-CE1 3.9Å; W367-F448 HydrophobicContact CE3-CE1 3.9Å; W367-F448 HydrophobicContact CZ3-CD1 4.16Å; I370-F448 HydrophobicContact CD1-CB 3.8Å; I370-F448 HydrophobicContact CD1-CD1 3.66Å; I370-F448 HydrophobicContact CD1-CD2 3.94Å; I370-F448 HydrophobicContact CD1-CE1 4.17Å; I370-F448 HydrophobicContact CD1-CE2 4.45Å; I370-F448 HydrophobicContact CD1-CG 3.51Å; V444-F448 WeakPolarHBondContact O-CB 3.27Å; V444-F448 PolarHBondContact O-N 3.17Å; K446-F448 VanDerWaalsContact C-N 3.31Å; K446-F448 PolarHBondContact O-N 3.23Å; F448-V450 PolarHBondContact O-N 3.37Å; F448-A451 WeakPolarHBondContact O-CB 3.09Å; F448-A451 PolarHBondContact O-N 2.72Å; F448-M452 HydrophobicContact CD1-CE 3.59Å; F448-M452 HydrophobicContact CD1-CG 4.18Å; F448-M452 HydrophobicContact CD1-SD 4.05Å; F448-M452 HydrophobicContact CE1-CE 3.39Å; F448-M452 HydrophobicContact CE1-CG 3.79Å; F448-M452 HydrophobicContact CE1-SD 3.32Å; F448-M452 WeakPolarHBondContact CE1-SD 3.25Å; F448-M452 HydrophobicContact CE2-CG 4.16Å; F448-M452 HydrophobicContact CZ-CE 4.29Å; F448-M452 HydrophobicContact CZ-CG 3.77Å; F448-M452 HydrophobicContact CZ-SD 3.64Å; F448-M452 WeakPolarHBondContact O-CG 3.29Å; F448-M452 PolarHBondContact O-N 2.68Å |
| 449 | S | 93.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.5 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | E445 K446 A451 M452 M453 | E445-S449 WeakPolarHBondContact O-CB 3.45Å; E445-S449 PolarHBondContact O-N 2.96Å; K446-S449 PolarHBondContact O-N 2.73Å; K446-S449 VanDerWaalsContact O-N 3.16Å; S449-A451 VanDerWaalsContact C-N 3.35Å; S449-M452 PolarHBondContact O-N 3.18Å; S449-M453 VanDerWaalsContact O-CG 3.27Å; S449-M453 WeakPolarHBondContact O-CG 3.3Å; S449-M453 PolarHBondContact O-N 3.3Å |
| 450 | V | 94.8 | Very high | 92.8 | Very high | 96 Ų | 96 | 61.6 Ų | 61.6 | 58% | 0.582 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | K446 M447 F448 M453 M454 | K446-V450 WeakPolarHBondContact O-CG2 3.35Å; K446-V450 PolarHBondContact O-N 2.68Å; M447-V450 PolarHBondContact O-N 2.71Å; F448-V450 PolarHBondContact O-N 3.37Å; V450-M453 PolarHBondContact O-N 3.36Å; V450-M454 PolarHBondContact O-N 3.24Å; V450-M454 VanDerWaalsContact O-N 3.12Å |
| 451 | A | 94.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 44% | 0.438 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M447 F448 S449 M454 V455 | M447-A451 PolarHBondContact O-N 2.95Å; F448-A451 WeakPolarHBondContact O-CB 3.09Å; F448-A451 PolarHBondContact O-N 2.72Å; S449-A451 VanDerWaalsContact C-N 3.35Å; A451-M454 PolarHBondContact O-N 3.36Å; A451-V455 WeakPolarHBondContact O-CG2 3.46Å; A451-V455 PolarHBondContact O-N 3.04Å |
| 452 | M | 93.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 175.2 | -74 | -160.2 | -70.2 | 0 | 0 | 112.7 | L363 W367 F425 T426 F448 S449 M454 V455 G456 | L363-M452 HydrophobicContact CB-SD 3.84Å; L363-M452 HydrophobicContact CD1-CG 3.99Å; L363-M452 HydrophobicContact CD1-SD 4.17Å; L363-M452 HydrophobicContact CD2-CG 4.01Å; L363-M452 HydrophobicContact CD2-SD 4.37Å; L363-M452 HydrophobicContact CG-CG 4.4Å; L363-M452 HydrophobicContact CG-SD 4.35Å; W367-M452 HydrophobicContact CE3-CE 4.33Å; F425-M452 HydrophobicContact CD1-CE 4.28Å; F425-M452 HydrophobicContact CE1-CE 3.59Å; F425-M452 HydrophobicContact CZ-CE 4.33Å; T426-M452 HydrophobicContact CG2-CE 4.3Å; T426-M452 HydrophobicContact CG2-SD 3.69Å; F448-M452 HydrophobicContact CD1-CE 3.59Å; F448-M452 HydrophobicContact CD1-CG 4.18Å; F448-M452 HydrophobicContact CD1-SD 4.05Å; F448-M452 HydrophobicContact CE1-CE 3.39Å; F448-M452 HydrophobicContact CE1-CG 3.79Å; F448-M452 HydrophobicContact CE1-SD 3.32Å; F448-M452 WeakPolarHBondContact CE1-SD 3.25Å; F448-M452 HydrophobicContact CE2-CG 4.16Å; F448-M452 HydrophobicContact CZ-CE 4.29Å; F448-M452 HydrophobicContact CZ-CG 3.77Å; F448-M452 HydrophobicContact CZ-SD 3.64Å; F448-M452 WeakPolarHBondContact O-CG 3.29Å; F448-M452 PolarHBondContact O-N 2.68Å; S449-M452 PolarHBondContact O-N 3.18Å; M452-M454 VanDerWaalsContact C-N 3.31Å; M452-M454 PolarHBondContact O-N 3.23Å; M452-V455 PolarHBondContact O-N 3.36Å; M452-G456 PolarHBondContact O-N 3.27Å |
| 453 | M | 94.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 64.6 Ų | 64.6 | 55% | 0.547 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 178.4 | -71.2 | 170.6 | 70.1 | 0 | 0 | 111.6 | S449 V450 S457 | S449-M453 VanDerWaalsContact O-CG 3.27Å; S449-M453 WeakPolarHBondContact O-CG 3.3Å; S449-M453 PolarHBondContact O-N 3.3Å; V450-M453 PolarHBondContact O-N 3.36Å; M453-S457 WeakPolarHBondContact O-CB 3.48Å; M453-S457 PolarHBondContact O-N 3.4Å |
| 454 | M | 94.7 | Very high | 92.7 | Very high | 120 Ų | 120 | 64 Ų | 64 | 59% | 0.591 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.2 | -52 | 174.4 | -174.2 | 61.2 | 64.9 | 0 | 0 | 111.3 | V450 A451 M452 G456 S457 L458 | V450-M454 PolarHBondContact O-N 3.24Å; V450-M454 VanDerWaalsContact O-N 3.12Å; A451-M454 PolarHBondContact O-N 3.36Å; M452-M454 VanDerWaalsContact C-N 3.31Å; M452-M454 PolarHBondContact O-N 3.23Å; M454-G456 VanDerWaalsContact C-N 3.34Å; M454-G456 PolarHBondContact O-N 3.46Å; M454-S457 PolarHBondContact O-N 2.71Å; M454-S457 PolarHBondContact O-OG 2.72Å; M454-L458 PolarHBondContact O-N 3.5Å |
| 455 | V | 92.6 | Very high | 92.7 | Very high | 62 Ų | 62 | 62 Ų | 62 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 178 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | V359 A451 M452 L458 L459 | V359-V455 HydrophobicContact CG1-CG1 4.43Å; A451-V455 WeakPolarHBondContact O-CG2 3.46Å; A451-V455 PolarHBondContact O-N 3.04Å; M452-V455 PolarHBondContact O-N 3.36Å; V455-L458 PolarHBondContact O-N 3.06Å; V455-L459 HydrophobicContact CG1-CD1 3.77Å; V455-L459 HydrophobicContact CG1-CG 4.36Å; V455-L459 WeakPolarHBondContact O-CG 3.26Å; V455-L459 PolarHBondContact O-N 2.82Å |
| 456 | G | 92.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | M452 M454 L458 L459 Y460 | M452-G456 PolarHBondContact O-N 3.27Å; M454-G456 VanDerWaalsContact C-N 3.34Å; M454-G456 PolarHBondContact O-N 3.46Å; G456-L458 VanDerWaalsContact C-N 3.3Å; G456-L458 PolarHBondContact O-N 2.81Å; G456-L459 PolarHBondContact O-N 2.68Å; G456-Y460 WeakPolarHBondContact O-CB 3.44Å; G456-Y460 PolarHBondContact O-N 3.46Å |
| 457 | S | 92.6 | Very high | 92.2 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59 | -41 | 179.3 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | M453 M454 A461 | M453-S457 WeakPolarHBondContact O-CB 3.48Å; M453-S457 PolarHBondContact O-N 3.4Å; M454-S457 PolarHBondContact O-N 2.71Å; M454-S457 PolarHBondContact O-OG 2.72Å; S457-A461 VanDerWaalsContact O-CB 3.26Å; S457-A461 WeakPolarHBondContact O-CB 3.31Å; S457-A461 PolarHBondContact O-N 3.39Å |
| 458 | L | 92.2 | Very high | 92 | Very high | 108 Ų | 108 | 58.8 Ų | 58.8 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -71 | -43.7 | 178.9 | -66.6 | 171.4 | 0 | 0 | 0 | 112.5 | M454 V455 G456 T462 | M454-L458 PolarHBondContact O-N 3.5Å; V455-L458 PolarHBondContact O-N 3.06Å; G456-L458 VanDerWaalsContact C-N 3.3Å; G456-L458 PolarHBondContact O-N 2.81Å; L458-T462 WeakPolarHBondContact O-CB 3.4Å; L458-T462 PolarHBondContact O-N 2.92Å; L458-T462 PolarHBondContact O-OG1 3.07Å |
| 459 | L | 90.4 | Very high | 91.7 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 176.1 | -71 | 173.6 | 0 | 0 | 0 | 111.8 | V359 V455 G456 T462 I463 | V359-L459 HydrophobicContact CB-CD1 4.13Å; V359-L459 HydrophobicContact CG1-CD1 3.74Å; V359-L459 HydrophobicContact CG2-CD1 4.22Å; V455-L459 HydrophobicContact CG1-CD1 3.77Å; V455-L459 HydrophobicContact CG1-CG 4.36Å; V455-L459 WeakPolarHBondContact O-CG 3.26Å; V455-L459 PolarHBondContact O-N 2.82Å; G456-L459 PolarHBondContact O-N 2.68Å; L459-T462 WeakPolarHBondContact O-CB 3.44Å; L459-T462 PolarHBondContact O-N 3.25Å; L459-I463 WeakPolarHBondContact O-CD1 3.49Å; L459-I463 VanDerWaalsContact O-CG1 3.28Å; L459-I463 WeakPolarHBondContact O-CG1 3.39Å; L459-I463 PolarHBondContact O-N 3.24Å |
| 460 | Y | 91.3 | Very high | 91.4 | Very high | 86 Ų | 86 | 62 Ų | 62 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 178.6 | -167 | -94.1 | 0 | 0 | 0 | 111.3 | G456 T462 I463 F464 | G456-Y460 WeakPolarHBondContact O-CB 3.44Å; G456-Y460 PolarHBondContact O-N 3.46Å; Y460-T462 VanDerWaalsContact C-N 3.32Å; Y460-T462 PolarHBondContact O-N 3.49Å; Y460-I463 PolarHBondContact O-N 3.45Å; Y460-F464 AromaticContact CD1-CD2 3.97Å; Y460-F464 HydrophobicContact CD1-CD2 3.97Å; Y460-F464 HydrophobicContact CD1-CE2 4.18Å; Y460-F464 HydrophobicContact CD2-CE2 4.29Å; Y460-F464 AromaticContact CE1-CD2 3.71Å; Y460-F464 HydrophobicContact CE1-CD2 3.71Å; Y460-F464 AromaticContact CE1-CE2 3.54Å; Y460-F464 HydrophobicContact CE1-CE2 3.54Å; Y460-F464 HydrophobicContact CE1-CZ 4.21Å; Y460-F464 HydrophobicContact CE2-CD2 4.31Å; Y460-F464 AromaticContact CE2-CE2 3.67Å; Y460-F464 HydrophobicContact CE2-CE2 3.67Å; Y460-F464 HydrophobicContact CG-CD2 4.39Å; Y460-F464 AromaticContact CZ-CD2 3.9Å; Y460-F464 AromaticContact CZ-CE2 3.25Å; Y460-F464 AromaticContact CZ-CZ 3.85Å; Y460-F464 WeakPolarHBondContact O-CD2 3.41Å; Y460-F464 PolarHBondContact O-N 2.66Å; Y460-F464 WeakPolarHBondContact OH-CE2 3.35Å; Y460-F464 WeakPolarHBondContact OH-CZ 3.4Å |
| 461 | A | 92.8 | Very high | 91 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 51% | 0.512 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S457 F464 G465 | S457-A461 VanDerWaalsContact O-CB 3.26Å; S457-A461 WeakPolarHBondContact O-CB 3.31Å; S457-A461 PolarHBondContact O-N 3.39Å; A461-F464 PolarHBondContact O-N 2.83Å; A461-G465 PolarHBondContact O-N 3.31Å |
| 462 | T | 89.5 | Confident | 90.7 | Very high | 67 Ų | 67 | 66.3 Ų | 66.3 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | L458 L459 Y460 N466 | L458-T462 WeakPolarHBondContact O-CB 3.4Å; L458-T462 PolarHBondContact O-N 2.92Å; L458-T462 PolarHBondContact O-OG1 3.07Å; L459-T462 WeakPolarHBondContact O-CB 3.44Å; L459-T462 PolarHBondContact O-N 3.25Å; Y460-T462 VanDerWaalsContact C-N 3.32Å; Y460-T462 PolarHBondContact O-N 3.49Å; T462-N466 PolarHBondContact O-N 3.04Å; T462-N466 VanDerWaalsContact O-N 3.08Å; T462-N466 PolarHBondContact O-ND2 3.22Å |
| 463 | I | 90.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 72.9 Ų | 72.9 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.3 | -52.7 | 175 | -68.9 | 156.6 | 0 | 0 | 0 | 110.5 | L352 F356 L459 Y460 G465 N466 V467 | L352-I463 HydrophobicContact CD2-CB 4.37Å; L352-I463 HydrophobicContact CD2-CG1 3.89Å; L352-I463 HydrophobicContact CG-CG1 3.85Å; F356-I463 HydrophobicContact CB-CD1 3.87Å; F356-I463 HydrophobicContact CD2-CD1 3.43Å; F356-I463 VanDerWaalsContact CD2-CD1 3.43Å; F356-I463 HydrophobicContact CE2-CD1 4.18Å; F356-I463 HydrophobicContact CG-CD1 3.8Å; L459-I463 WeakPolarHBondContact O-CD1 3.49Å; L459-I463 VanDerWaalsContact O-CG1 3.28Å; L459-I463 WeakPolarHBondContact O-CG1 3.39Å; L459-I463 PolarHBondContact O-N 3.24Å; Y460-I463 PolarHBondContact O-N 3.45Å; I463-G465 VanDerWaalsContact C-N 3.31Å; I463-G465 PolarHBondContact O-N 3.43Å; I463-N466 PolarHBondContact O-N 2.7Å; I463-V467 HydrophobicContact CG2-CG2 4.29Å; I463-V467 WeakPolarHBondContact O-CB 3.44Å; I463-V467 VanDerWaalsContact O-CG2 3.27Å; I463-V467 WeakPolarHBondContact O-CG2 3.1Å; I463-V467 PolarHBondContact O-N 2.99Å |
| 464 | F | 89.8 | Confident | 89.8 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 47% | 0.469 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -34.8 | -179.5 | -87.5 | -100.7 | 0 | 0 | 0 | 112.8 | Y460 A461 T468 | Y460-F464 AromaticContact CD1-CD2 3.97Å; Y460-F464 HydrophobicContact CD1-CD2 3.97Å; Y460-F464 HydrophobicContact CD1-CE2 4.18Å; Y460-F464 HydrophobicContact CD2-CE2 4.29Å; Y460-F464 AromaticContact CE1-CD2 3.71Å; Y460-F464 HydrophobicContact CE1-CD2 3.71Å; Y460-F464 AromaticContact CE1-CE2 3.54Å; Y460-F464 HydrophobicContact CE1-CE2 3.54Å; Y460-F464 HydrophobicContact CE1-CZ 4.21Å; Y460-F464 HydrophobicContact CE2-CD2 4.31Å; Y460-F464 AromaticContact CE2-CE2 3.67Å; Y460-F464 HydrophobicContact CE2-CE2 3.67Å; Y460-F464 HydrophobicContact CG-CD2 4.39Å; Y460-F464 AromaticContact CZ-CD2 3.9Å; Y460-F464 AromaticContact CZ-CE2 3.25Å; Y460-F464 AromaticContact CZ-CZ 3.85Å; Y460-F464 WeakPolarHBondContact O-CD2 3.41Å; Y460-F464 PolarHBondContact O-N 2.66Å; Y460-F464 WeakPolarHBondContact OH-CE2 3.35Å; Y460-F464 WeakPolarHBondContact OH-CZ 3.4Å; A461-F464 PolarHBondContact O-N 2.83Å; F464-T468 WeakPolarHBondContact O-CB 3.41Å; F464-T468 PolarHBondContact O-N 2.64Å; F464-T468 PolarHBondContact O-OG1 3.27Å |
| 465 | G | 90.9 | Very high | 89.5 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 36% | 0.361 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.2 | -55.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A461 I463 V467 T468 T469 | A461-G465 PolarHBondContact O-N 3.31Å; I463-G465 VanDerWaalsContact C-N 3.31Å; I463-G465 PolarHBondContact O-N 3.43Å; G465-V467 PolarHBondContact O-N 2.84Å; G465-T468 WeakPolarHBondContact O-CB 3.47Å; G465-T468 PolarHBondContact O-N 3.02Å; G465-T468 VanDerWaalsContact O-N 3.15Å; G465-T469 PolarHBondContact O-N 3.43Å; G465-T469 PolarHBondContact O-OG1 2.96Å |
| 466 | N | 87.9 | Confident | 89.4 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | -179.8 | -77.8 | -75.6 | 0 | 0 | 0 | 112.7 | L352 T462 I463 T468 T469 I470 | L352-N466 HydrophobicContact CD2-CB 3.89Å; T462-N466 PolarHBondContact O-N 3.04Å; T462-N466 VanDerWaalsContact O-N 3.08Å; T462-N466 PolarHBondContact O-ND2 3.22Å; I463-N466 PolarHBondContact O-N 2.7Å; N466-T468 VanDerWaalsContact C-N 3.31Å; N466-T468 PolarHBondContact O-N 3.31Å; N466-T469 PolarHBondContact O-N 3.33Å; N466-I470 WeakPolarHBondContact O-CD1 3.29Å; N466-I470 VanDerWaalsContact O-CG1 3.26Å; N466-I470 WeakPolarHBondContact O-CG1 3.41Å; N466-I470 PolarHBondContact O-N 2.95Å |
| 467 | V | 88.3 | Confident | 89.1 | Confident | 35 Ų | 35 | 76 Ų | 76 | 21% | 0.212 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57 | -45.6 | 173.1 | 167.3 | 0 | 0 | 0 | 0 | 110.6 | L349 I463 G465 I470 F471 | L349-V467 HydrophobicContact CD1-CG2 3.53Å; I463-V467 HydrophobicContact CG2-CG2 4.29Å; I463-V467 WeakPolarHBondContact O-CB 3.44Å; I463-V467 VanDerWaalsContact O-CG2 3.27Å; I463-V467 WeakPolarHBondContact O-CG2 3.1Å; I463-V467 PolarHBondContact O-N 2.99Å; G465-V467 PolarHBondContact O-N 2.84Å; V467-I470 PolarHBondContact O-N 3.3Å; V467-F471 HydrophobicContact CG1-CD2 3.7Å; V467-F471 HydrophobicContact CG1-CE2 3.66Å; V467-F471 VanDerWaalsContact O-CD2 3.29Å; V467-F471 WeakPolarHBondContact O-CD2 3.4Å; V467-F471 PolarHBondContact O-N 2.7Å |
| 468 | T | 90.4 | Very high | 88.9 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | F464 G465 N466 I470 F471 Q472 | F464-T468 WeakPolarHBondContact O-CB 3.41Å; F464-T468 PolarHBondContact O-N 2.64Å; F464-T468 PolarHBondContact O-OG1 3.27Å; G465-T468 WeakPolarHBondContact O-CB 3.47Å; G465-T468 PolarHBondContact O-N 3.02Å; G465-T468 VanDerWaalsContact O-N 3.15Å; N466-T468 VanDerWaalsContact C-N 3.31Å; N466-T468 PolarHBondContact O-N 3.31Å; T468-I470 PolarHBondContact O-N 2.89Å; T468-F471 PolarHBondContact O-N 2.8Å; T468-Q472 HydrophobicContact CG2-CG 4.48Å; T468-Q472 WeakPolarHBondContact O-CB 3.42Å; T468-Q472 VanDerWaalsContact O-CG 3.29Å; T468-Q472 WeakPolarHBondContact O-CG 3.42Å; T468-Q472 PolarHBondContact O-N 2.84Å |
| 469 | T | 88.8 | Confident | 88.8 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | G465 N466 Q472 Q473 | G465-T469 PolarHBondContact O-N 3.43Å; G465-T469 PolarHBondContact O-OG1 2.96Å; N466-T469 PolarHBondContact O-N 3.33Å; T469-Q472 PolarHBondContact O-N 3.05Å; T469-Q473 WeakPolarHBondContact O-CB 3.36Å; T469-Q473 PolarHBondContact O-N 3.03Å |
| 470 | I | 87.1 | Confident | 88.8 | Confident | 36 Ų | 36 | 82 Ų | 82 | 19% | 0.185 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 177.1 | -68.8 | 162.5 | 0 | 0 | 0 | 110.9 | G345 L349 N466 V467 T468 Q473 M474 | G345-I470 WeakPolarHBondContact O-CD1 3.08Å; L349-I470 HydrophobicContact CB-CD1 3.85Å; N466-I470 WeakPolarHBondContact O-CD1 3.29Å; N466-I470 VanDerWaalsContact O-CG1 3.26Å; N466-I470 WeakPolarHBondContact O-CG1 3.41Å; N466-I470 PolarHBondContact O-N 2.95Å; V467-I470 PolarHBondContact O-N 3.3Å; T468-I470 PolarHBondContact O-N 2.89Å; I470-Q473 PolarHBondContact O-N 3.43Å; I470-M474 WeakPolarHBondContact O-CB 3.37Å; I470-M474 PolarHBondContact O-N 3.14Å |
| 471 | F | 86.3 | Confident | 88.7 | Confident | 113 Ų | 113 | 79.1 Ų | 79.1 | 50% | 0.496 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.1 | -85.3 | -61.8 | 0 | 0 | 0 | 112.2 | V467 T468 Q473 M474 Y475 | V467-F471 HydrophobicContact CG1-CD2 3.7Å; V467-F471 HydrophobicContact CG1-CE2 3.66Å; V467-F471 VanDerWaalsContact O-CD2 3.29Å; V467-F471 WeakPolarHBondContact O-CD2 3.4Å; V467-F471 PolarHBondContact O-N 2.7Å; T468-F471 PolarHBondContact O-N 2.8Å; F471-Q473 PolarHBondContact O-N 2.68Å; F471-M474 HydrophobicContact CD1-CE 3.85Å; F471-M474 HydrophobicContact CE1-CE 4.06Å; F471-M474 PolarHBondContact O-N 2.81Å; F471-Y475 HydrophobicContact CD1-CD2 4.3Å; F471-Y475 AromaticContact CD1-CE2 3.9Å; F471-Y475 HydrophobicContact CD1-CE2 3.9Å; F471-Y475 HydrophobicContact CE1-CE2 4.47Å; F471-Y475 WeakPolarHBondContact O-CD2 3.39Å; F471-Y475 PolarHBondContact O-N 2.94Å |
| 472 | Q | 88.7 | Confident | 88.7 | Confident | 126 Ų | 126 | 80.4 Ų | 80.4 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.1 | -46 | 175 | -74.2 | 172 | -9.1 | 0 | 0 | 111.6 | T468 T469 Y475 A476 | T468-Q472 HydrophobicContact CG2-CG 4.48Å; T468-Q472 WeakPolarHBondContact O-CB 3.42Å; T468-Q472 VanDerWaalsContact O-CG 3.29Å; T468-Q472 WeakPolarHBondContact O-CG 3.42Å; T468-Q472 PolarHBondContact O-N 2.84Å; T469-Q472 PolarHBondContact O-N 3.05Å; Q472-Y475 PolarHBondContact O-N 2.66Å; Q472-A476 WeakPolarHBondContact O-CA 3.22Å; Q472-A476 WeakPolarHBondContact O-CB 3.37Å; Q472-A476 PolarHBondContact O-N 2.91Å |
| 473 | Q | 86.1 | Confident | 89 | Confident | 140 Ų | 140 | 83 Ų | 83 | 65% | 0.654 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 179 | -170.8 | 179.8 | 14.4 | 0 | 0 | 112.3 | T469 I470 F471 | T469-Q473 WeakPolarHBondContact O-CB 3.36Å; T469-Q473 PolarHBondContact O-N 3.03Å; I470-Q473 PolarHBondContact O-N 3.43Å; F471-Q473 PolarHBondContact O-N 2.68Å |
| 474 | M | 83.2 | Confident | 89.1 | Confident | 111 Ų | 111 | 85.9 Ų | 85.9 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 178.2 | -175.2 | 177.6 | 75.6 | 0 | 0 | 112.1 | I470 F471 | I470-M474 WeakPolarHBondContact O-CB 3.37Å; I470-M474 PolarHBondContact O-N 3.14Å; F471-M474 HydrophobicContact CD1-CE 3.85Å; F471-M474 HydrophobicContact CE1-CE 4.06Å; F471-M474 PolarHBondContact O-N 2.81Å |
| 475 | Y | 87.8 | Confident | 89.3 | Confident | 116 Ų | 116 | 81.4 Ų | 81.4 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -85.1 | -10.1 | -180 | -74.8 | -66 | 0 | 0 | 0 | 114.3 | F471 Q472 N477 T478 N479 | F471-Y475 HydrophobicContact CD1-CD2 4.3Å; F471-Y475 AromaticContact CD1-CE2 3.9Å; F471-Y475 HydrophobicContact CD1-CE2 3.9Å; F471-Y475 HydrophobicContact CE1-CE2 4.47Å; F471-Y475 WeakPolarHBondContact O-CD2 3.39Å; F471-Y475 PolarHBondContact O-N 2.94Å; Q472-Y475 PolarHBondContact O-N 2.66Å; Y475-N477 VanDerWaalsContact C-N 3.33Å; Y475-N477 PolarHBondContact O-N 3Å; Y475-T478 PolarHBondContact O-N 3.44Å; Y475-T478 VanDerWaalsContact O-N 3.11Å; Y475-N479 WeakPolarHBondContact O-CB 3.42Å; Y475-N479 VanDerWaalsContact O-CG 3.3Å; Y475-N479 PolarHBondContact O-N 3.17Å; Y475-N479 PolarHBondContact O-OD1 3.27Å |
| 476 | A | 89.6 | Confident | 89.5 | Confident | 55 Ų | 55 | 83.2 Ų | 83.2 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -51 | -44.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q472 R480 | Q472-A476 WeakPolarHBondContact O-CA 3.22Å; Q472-A476 WeakPolarHBondContact O-CB 3.37Å; Q472-A476 PolarHBondContact O-N 2.91Å; A476-R480 WeakPolarHBondContact O-CB 3.48Å; A476-R480 PolarHBondContact O-N 3.25Å; A476-R480 VanDerWaalsContact O-N 3.09Å |
| 477 | N | 86.9 | Confident | 89.9 | Confident | 78 Ų | 78 | 85.1 Ų | 85.1 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.8 | -42.5 | -179.4 | -164.7 | 49.1 | 0 | 0 | 0 | 112 | Y475 R480 Y481 | Y475-N477 VanDerWaalsContact C-N 3.33Å; Y475-N477 PolarHBondContact O-N 3Å; N477-R480 PolarHBondContact O-N 3.03Å; N477-Y481 PolarHBondContact O-N 3.12Å; N477-Y481 VanDerWaalsContact O-N 3.12Å |
| 478 | T | 87.9 | Confident | 90.2 | Very high | 59 Ų | 59 | 85.2 Ų | 85.2 | 36% | 0.362 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 179.3 | -47.2 | 0 | 0 | 0 | 0 | 111.6 | Y475 Y481 H482 | Y475-T478 PolarHBondContact O-N 3.44Å; Y475-T478 VanDerWaalsContact O-N 3.11Å; T478-Y481 WeakPolarHBondContact O-CB 3.35Å; T478-Y481 PolarHBondContact O-N 2.95Å; T478-H482 PolarHBondContact O-CD2 2.87Å; T478-H482 PolarHBondContact O-N 3.24Å |
| 479 | N | 90.6 | Very high | 90.5 | Very high | 91 Ų | 91 | 87 Ų | 87 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 176 | -71.2 | 1.2 | 0 | 0 | 0 | 111.1 | Y475 Y481 H482 E483 | Y475-N479 WeakPolarHBondContact O-CB 3.42Å; Y475-N479 VanDerWaalsContact O-CG 3.3Å; Y475-N479 PolarHBondContact O-N 3.17Å; Y475-N479 PolarHBondContact O-OD1 3.27Å; N479-Y481 VanDerWaalsContact C-N 3.27Å; N479-Y481 PolarHBondContact O-N 2.64Å; N479-H482 PolarHBondContact O-N 3.29Å; N479-H482 VanDerWaalsContact O-N 3.17Å; N479-E483 WeakPolarHBondContact O-CB 3.29Å; N479-E483 PolarHBondContact O-N 3.47Å |
| 480 | R | 90 | Very high | 90.8 | Very high | 179 Ų | 179 | 87.5 Ų | 87.5 | 68% | 0.675 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.6 | -37.6 | 174.3 | -177.1 | -176.8 | 177.4 | 113.4 | 5.5 | 112.4 | A476 N477 M484 | A476-R480 WeakPolarHBondContact O-CB 3.48Å; A476-R480 PolarHBondContact O-N 3.25Å; A476-R480 VanDerWaalsContact O-N 3.09Å; N477-R480 PolarHBondContact O-N 3.03Å; R480-M484 WeakPolarHBondContact O-CB 3.33Å; R480-M484 PolarHBondContact O-N 3.01Å |
| 481 | Y | 90.4 | Very high | 91.3 | Very high | 25 Ų | 25 | 91.2 Ų | 91.2 | 10% | 0.098 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 173.1 | 168.2 | -109.7 | 0 | 0 | 0 | 112.4 | N477 T478 N479 E483 M484 L485 I509 V510 W513 | N477-Y481 PolarHBondContact O-N 3.12Å; N477-Y481 VanDerWaalsContact O-N 3.12Å; T478-Y481 WeakPolarHBondContact O-CB 3.35Å; T478-Y481 PolarHBondContact O-N 2.95Å; N479-Y481 VanDerWaalsContact C-N 3.27Å; N479-Y481 PolarHBondContact O-N 2.64Å; Y481-E483 VanDerWaalsContact C-N 3.34Å; Y481-E483 PolarHBondContact O-N 2.95Å; Y481-M484 HydrophobicContact CD2-CE 3.94Å; Y481-M484 HydrophobicContact CE2-CE 4.37Å; Y481-M484 PolarHBondContact O-N 3.44Å; Y481-L485 HydrophobicContact CE1-CD2 4.18Å; Y481-L485 VanDerWaalsContact O-CB 3.26Å; Y481-L485 WeakPolarHBondContact O-CB 3.48Å; Y481-L485 PolarHBondContact O-N 3.26Å; Y481-I509 HydrophobicContact CE2-CG2 4.41Å; Y481-V510 WeakPolarHBondContact OH-CG2 3.47Å; Y481-W513 HydrophobicContact CD2-CB 3.98Å; Y481-W513 AromaticContact CD2-CD1 3.89Å; Y481-W513 AromaticContact CD2-CD2 3.26Å; Y481-W513 HydrophobicContact CD2-CD2 3.26Å; Y481-W513 AromaticContact CD2-CE2 3.74Å; Y481-W513 AromaticContact CD2-CE3 3.52Å; Y481-W513 HydrophobicContact CD2-CE3 3.52Å; Y481-W513 AromaticContact CD2-CG 3.44Å; Y481-W513 HydrophobicContact CD2-CG 3.44Å; Y481-W513 VanDerWaalsContact CD2-CG 3.44Å; Y481-W513 HydrophobicContact CD2-CZ2 4.4Å; Y481-W513 HydrophobicContact CD2-CZ3 4.17Å; Y481-W513 HydrophobicContact CE2-CB 3.54Å; Y481-W513 AromaticContact CE2-CD1 3.8Å; Y481-W513 AromaticContact CE2-CD2 3.81Å; Y481-W513 HydrophobicContact CE2-CD2 3.81Å; Y481-W513 HydrophobicContact CE2-CE3 4.31Å; Y481-W513 AromaticContact CE2-CG 3.41Å; Y481-W513 HydrophobicContact CE2-CG 3.41Å; Y481-W513 VanDerWaalsContact CE2-CG 3.41Å; Y481-W513 AromaticContact CG-CD2 3.72Å; Y481-W513 HydrophobicContact CG-CD2 3.72Å; Y481-W513 AromaticContact CG-CE2 3.65Å; Y481-W513 HydrophobicContact CG-CE3 4.12Å; Y481-W513 HydrophobicContact CG-CG 4.08Å; Y481-W513 HydrophobicContact CG-CH2 4.41Å; Y481-W513 HydrophobicContact CG-CZ2 4.04Å; Y481-W513 HydrophobicContact CG-CZ3 4.42Å; Y481-W513 AromaticContact CG-NE1 3.88Å; Y481-W513 AromaticContact CZ-CD1 3.96Å |
| 482 | H | 92.8 | Very high | 91.7 | Very high | 88 Ų | 88 | 86.3 Ų | 86.3 | 41% | 0.407 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 177.9 | -72.3 | -58.2 | 0 | 0 | 0 | 112.7 | T478 N479 L485 N486 | T478-H482 PolarHBondContact O-CD2 2.87Å; T478-H482 PolarHBondContact O-N 3.24Å; N479-H482 PolarHBondContact O-N 3.29Å; N479-H482 VanDerWaalsContact O-N 3.17Å; H482-L485 PolarHBondContact O-N 2.83Å; H482-N486 VanDerWaalsContact O-CB 3.27Å; H482-N486 WeakPolarHBondContact O-CB 3.41Å; H482-N486 PolarHBondContact O-N 3.16Å; H482-N486 PolarHBondContact O-ND2 2.9Å; H482-N486 PolarHBondContact O-OD1 3.17Å |
| 483 | E | 94.3 | Very high | 92.1 | Very high | 121 Ų | 121 | 88 Ų | 88 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.1 | -52.8 | 172.2 | -176 | -174.2 | 179.8 | 0 | 0 | 111 | N479 Y481 L485 N486 N487 | N479-E483 WeakPolarHBondContact O-CB 3.29Å; N479-E483 PolarHBondContact O-N 3.47Å; Y481-E483 VanDerWaalsContact C-N 3.34Å; Y481-E483 PolarHBondContact O-N 2.95Å; E483-L485 PolarHBondContact O-N 3.48Å; E483-N486 PolarHBondContact O-N 3.41Å; E483-N487 WeakPolarHBondContact O-CB 3.39Å; E483-N487 PolarHBondContact O-N 3.37Å; E483-N487 PolarHBondContact O-ND2 3.35Å |
| 484 | M | 93.1 | Very high | 92.6 | Very high | 84 Ų | 84 | 87.3 Ų | 87.3 | 41% | 0.414 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 175.3 | -177.7 | -170.4 | 70.8 | 0 | 0 | 112.2 | R480 Y481 N486 N487 V488 I509 | R480-M484 WeakPolarHBondContact O-CB 3.33Å; R480-M484 PolarHBondContact O-N 3.01Å; Y481-M484 HydrophobicContact CD2-CE 3.94Å; Y481-M484 HydrophobicContact CE2-CE 4.37Å; Y481-M484 PolarHBondContact O-N 3.44Å; M484-N486 VanDerWaalsContact C-N 3.34Å; M484-N486 PolarHBondContact O-N 2.71Å; M484-N487 PolarHBondContact O-N 3.21Å; M484-V488 WeakPolarHBondContact O-CG2 3.43Å; M484-V488 PolarHBondContact O-N 2.98Å; M484-I509 HydrophobicContact CE-CG2 3.79Å |
| 485 | L | 93.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 89.4 Ų | 89.4 | 7% | 0.073 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.5 | -34.9 | -178.9 | -169.7 | 70.9 | 0 | 0 | 0 | 112.2 | Y481 H482 E483 R489 M506 I509 V510 | Y481-L485 HydrophobicContact CE1-CD2 4.18Å; Y481-L485 VanDerWaalsContact O-CB 3.26Å; Y481-L485 WeakPolarHBondContact O-CB 3.48Å; Y481-L485 PolarHBondContact O-N 3.26Å; H482-L485 PolarHBondContact O-N 2.83Å; E483-L485 PolarHBondContact O-N 3.48Å; L485-R489 WeakPolarHBondContact O-CB 3.33Å; L485-R489 PolarHBondContact O-N 3.03Å; L485-M506 HydrophobicContact CD1-CE 3.56Å; L485-M506 HydrophobicContact CD1-SD 4.05Å; L485-M506 HydrophobicContact CD2-CE 4.49Å; L485-M506 HydrophobicContact CG-CE 3.84Å; L485-I509 HydrophobicContact CD1-CG2 3.89Å; L485-V510 HydrophobicContact CD1-CG2 4.44Å |
| 486 | N | 94.9 | Very high | 93.6 | Very high | 72 Ų | 72 | 92.1 Ų | 92.1 | 39% | 0.385 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.8 | -47.4 | 173.8 | -69 | -13 | 0 | 0 | 0 | 110.9 | H482 E483 M484 V488 R489 D490 | H482-N486 VanDerWaalsContact O-CB 3.27Å; H482-N486 WeakPolarHBondContact O-CB 3.41Å; H482-N486 PolarHBondContact O-N 3.16Å; H482-N486 PolarHBondContact O-ND2 2.9Å; H482-N486 PolarHBondContact O-OD1 3.17Å; E483-N486 PolarHBondContact O-N 3.41Å; M484-N486 VanDerWaalsContact C-N 3.34Å; M484-N486 PolarHBondContact O-N 2.71Å; N486-V488 VanDerWaalsContact C-N 3.26Å; N486-V488 PolarHBondContact O-N 3.04Å; N486-R489 PolarHBondContact O-N 2.82Å; N486-R489 PolarHBondContact OD1-NH1 2.72Å; N486-D490 PolarHBondContact O-N 3.38Å |
| 487 | N | 96.4 | Very high | 93.9 | Very high | 99 Ų | 99 | 91.1 Ų | 91.1 | 53% | 0.529 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.5 | -39.6 | 176.1 | -69.1 | -20.5 | 0 | 0 | 0 | 112 | E483 M484 F491 | E483-N487 WeakPolarHBondContact O-CB 3.39Å; E483-N487 PolarHBondContact O-N 3.37Å; E483-N487 PolarHBondContact O-ND2 3.35Å; M484-N487 PolarHBondContact O-N 3.21Å; N487-F491 VanDerWaalsContact O-CB 3.32Å; N487-F491 WeakPolarHBondContact O-CB 3.41Å; N487-F491 PolarHBondContact O-N 3.17Å |
| 488 | V | 96.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 91.9 Ų | 91.9 | 22% | 0.218 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -69.2 | -42.7 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | M484 N486 D490 F491 L492 V505 M506 I509 | M484-V488 WeakPolarHBondContact O-CG2 3.43Å; M484-V488 PolarHBondContact O-N 2.98Å; N486-V488 VanDerWaalsContact C-N 3.26Å; N486-V488 PolarHBondContact O-N 3.04Å; V488-D490 VanDerWaalsContact C-N 3.32Å; V488-D490 PolarHBondContact O-N 2.84Å; V488-F491 WeakPolarHBondContact O-CB 3.17Å; V488-F491 PolarHBondContact O-N 3.23Å; V488-L492 HydrophobicContact CG1-CD1 3.74Å; V488-L492 HydrophobicContact CG1-CG 4.18Å; V488-L492 WeakPolarHBondContact O-CB 3.41Å; V488-L492 VanDerWaalsContact O-CG 3.24Å; V488-L492 WeakPolarHBondContact O-CG 3.39Å; V488-L492 PolarHBondContact O-N 3.14Å; V488-V505 HydrophobicContact CG1-CG1 4.22Å; V488-M506 HydrophobicContact CG1-SD 4.26Å; V488-I509 HydrophobicContact CB-CD1 4.22Å; V488-I509 HydrophobicContact CG1-CD1 3.69Å; V488-I509 HydrophobicContact CG2-CD1 4.04Å |
| 489 | R | 94.9 | Very high | 94.6 | Very high | 107 Ų | 107 | 96.9 Ų | 96.9 | 40% | 0.404 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 176.6 | -169.9 | -175.6 | -59.4 | 100.9 | 0.8 | 111.8 | L485 N486 L492 K493 M506 | L485-R489 WeakPolarHBondContact O-CB 3.33Å; L485-R489 PolarHBondContact O-N 3.03Å; N486-R489 PolarHBondContact O-N 2.82Å; N486-R489 PolarHBondContact OD1-NH1 2.72Å; R489-L492 PolarHBondContact O-N 2.81Å; R489-K493 VanDerWaalsContact O-CB 3.3Å; R489-K493 WeakPolarHBondContact O-CB 3.48Å; R489-K493 PolarHBondContact O-N 2.73Å; R489-M506 HydrophobicContact CB-CE 4.38Å; R489-M506 HydrophobicContact CB-SD 4.48Å |
| 490 | D | 96.2 | Very high | 94.6 | Very high | 88 Ų | 88 | 95 Ų | 95 | 47% | 0.471 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.1 | -34.8 | 179 | -70.5 | -34.4 | 0 | 0 | 0 | 111.8 | N486 V488 K493 L494 | N486-D490 PolarHBondContact O-N 3.38Å; V488-D490 VanDerWaalsContact C-N 3.32Å; V488-D490 PolarHBondContact O-N 2.84Å; D490-K493 PolarHBondContact O-N 3.45Å; D490-L494 WeakPolarHBondContact O-CB 3.47Å; D490-L494 PolarHBondContact O-N 2.93Å |
| 491 | F | 97.2 | Very high | 94.5 | Very high | 114 Ų | 114 | 90.7 Ų | 90.7 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59 | -52.7 | 167.5 | 174.3 | -86.5 | 0 | 0 | 0 | 112 | N487 V488 K493 L494 Y495 | N487-F491 VanDerWaalsContact O-CB 3.32Å; N487-F491 WeakPolarHBondContact O-CB 3.41Å; N487-F491 PolarHBondContact O-N 3.17Å; V488-F491 WeakPolarHBondContact O-CB 3.17Å; V488-F491 PolarHBondContact O-N 3.23Å; F491-K493 PolarHBondContact O-N 3Å; F491-L494 PolarHBondContact O-N 3.08Å; F491-Y495 HydrophobicContact CD1-CD2 4.32Å; F491-Y495 AromaticContact CD2-CD2 3.65Å; F491-Y495 HydrophobicContact CD2-CD2 3.65Å; F491-Y495 AromaticContact CD2-CE2 3.49Å; F491-Y495 HydrophobicContact CD2-CE2 3.49Å; F491-Y495 VanDerWaalsContact CD2-CE2 3.49Å; F491-Y495 HydrophobicContact CE1-CD2 4.21Å; F491-Y495 AromaticContact CE2-CD2 3.53Å; F491-Y495 HydrophobicContact CE2-CD2 3.53Å; F491-Y495 AromaticContact CE2-CE2 3.32Å; F491-Y495 HydrophobicContact CE2-CE2 3.32Å; F491-Y495 HydrophobicContact CG-CD2 4.04Å; F491-Y495 HydrophobicContact CG-CE2 4.31Å; F491-Y495 AromaticContact CZ-CD2 3.82Å; F491-Y495 HydrophobicContact CZ-CD2 3.82Å; F491-Y495 HydrophobicContact CZ-CE2 4.03Å; F491-Y495 WeakPolarHBondContact O-CD2 3.39Å; F491-Y495 PolarHBondContact O-N 2.77Å |
| 492 | L | 95.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 90.9 Ų | 90.9 | 5% | 0.047 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.5 | -36.9 | -179.6 | -69.1 | 167.7 | 0 | 0 | 0 | 111.6 | V488 R489 Q496 V497 V505 M506 | V488-L492 HydrophobicContact CG1-CD1 3.74Å; V488-L492 HydrophobicContact CG1-CG 4.18Å; V488-L492 WeakPolarHBondContact O-CB 3.41Å; V488-L492 VanDerWaalsContact O-CG 3.24Å; V488-L492 WeakPolarHBondContact O-CG 3.39Å; V488-L492 PolarHBondContact O-N 3.14Å; R489-L492 PolarHBondContact O-N 2.81Å; L492-Q496 PolarHBondContact O-N 2.92Å; L492-V497 HydrophobicContact CB-CB 4.47Å; L492-V497 HydrophobicContact CD2-CB 3.97Å; L492-V497 HydrophobicContact CD2-CG1 3.96Å; L492-V497 HydrophobicContact CD2-CG2 3.9Å; L492-V497 PolarHBondContact O-N 3.43Å; L492-V505 HydrophobicContact CD1-CB 4.4Å; L492-V505 HydrophobicContact CD1-CG1 4.08Å; L492-V505 HydrophobicContact CD2-CG1 4.4Å; L492-M506 HydrophobicContact CD1-CG 4.06Å; L492-M506 HydrophobicContact CD1-SD 4.13Å |
| 493 | K | 95.2 | Very high | 94.5 | Very high | 161 Ų | 161 | 92 Ų | 92 | 70% | 0.7 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -71.2 | -44 | 175.3 | -175.5 | -177.8 | 176.2 | -171 | 0 | 112.8 | R489 D490 F491 Q496 | R489-K493 VanDerWaalsContact O-CB 3.3Å; R489-K493 WeakPolarHBondContact O-CB 3.48Å; R489-K493 PolarHBondContact O-N 2.73Å; D490-K493 PolarHBondContact O-N 3.45Å; F491-K493 PolarHBondContact O-N 3Å; K493-Q496 PolarHBondContact O-N 3.21Å |
| 494 | L | 97 | Very high | 94.1 | Very high | 126 Ų | 126 | 91.3 Ų | 91.3 | 66% | 0.66 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | -180 | 177.9 | 64 | 0 | 0 | 0 | 111.7 | D490 F491 Q496 | D490-L494 WeakPolarHBondContact O-CB 3.47Å; D490-L494 PolarHBondContact O-N 2.93Å; F491-L494 PolarHBondContact O-N 3.08Å; L494-Q496 VanDerWaalsContact C-N 3.27Å; L494-Q496 PolarHBondContact O-N 3.4Å |
| 495 | Y | 96.9 | Very high | 94 | Very high | 155 Ų | 155 | 89.5 Ų | 89.5 | 61% | 0.608 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.2 | 178.3 | -68.4 | -76.7 | 0 | 0 | 0 | 114 | F491 V497 | F491-Y495 HydrophobicContact CD1-CD2 4.32Å; F491-Y495 AromaticContact CD2-CD2 3.65Å; F491-Y495 HydrophobicContact CD2-CD2 3.65Å; F491-Y495 AromaticContact CD2-CE2 3.49Å; F491-Y495 HydrophobicContact CD2-CE2 3.49Å; F491-Y495 VanDerWaalsContact CD2-CE2 3.49Å; F491-Y495 HydrophobicContact CE1-CD2 4.21Å; F491-Y495 AromaticContact CE2-CD2 3.53Å; F491-Y495 HydrophobicContact CE2-CD2 3.53Å; F491-Y495 AromaticContact CE2-CE2 3.32Å; F491-Y495 HydrophobicContact CE2-CE2 3.32Å; F491-Y495 HydrophobicContact CG-CD2 4.04Å; F491-Y495 HydrophobicContact CG-CE2 4.31Å; F491-Y495 AromaticContact CZ-CD2 3.82Å; F491-Y495 HydrophobicContact CZ-CD2 3.82Å; F491-Y495 HydrophobicContact CZ-CE2 4.03Å; F491-Y495 WeakPolarHBondContact O-CD2 3.39Å; F491-Y495 PolarHBondContact O-N 2.77Å; Y495-V497 VanDerWaalsContact C-N 3.27Å; Y495-V497 PolarHBondContact O-N 3.32Å |
| 496 | Q | 96.1 | Very high | 93.9 | Very high | 173 Ų | 173 | 90.2 Ų | 90.2 | 81% | 0.808 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.1 | 176.4 | -54 | -175.6 | 24.5 | 0 | 0 | 113.7 | L492 K493 L494 | L492-Q496 PolarHBondContact O-N 2.92Å; K493-Q496 PolarHBondContact O-N 3.21Å; L494-Q496 VanDerWaalsContact C-N 3.27Å; L494-Q496 PolarHBondContact O-N 3.4Å |
| 497 | V | 95.9 | Very high | 93.6 | Very high | 34 Ų | 34 | 91.8 Ų | 91.8 | 21% | 0.206 | 46% | 0.456 | C | S | . | . | trans | -63.4 | 134.3 | -174.8 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | L492 Y495 K499 L501 | L492-V497 HydrophobicContact CB-CB 4.47Å; L492-V497 HydrophobicContact CD2-CB 3.97Å; L492-V497 HydrophobicContact CD2-CG1 3.96Å; L492-V497 HydrophobicContact CD2-CG2 3.9Å; L492-V497 PolarHBondContact O-N 3.43Å; Y495-V497 VanDerWaalsContact C-N 3.27Å; Y495-V497 PolarHBondContact O-N 3.32Å; V497-K499 PolarHBondContact O-N 3.1Å; V497-L501 HydrophobicContact CG1-CB 4.09Å; V497-L501 HydrophobicContact CG1-CD2 3.92Å; V497-L501 HydrophobicContact CG1-CG 3.97Å | ||
| 498 | P | 96.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 92.2 Ų | 92.2 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | trans | -55.3 | 136.9 | -179.5 | -28.1 | 35.6 | 0 | 0 | 0 | 113 | G500 L501 S502 | P498-G500 PolarHBondContact O-N 3.24Å; P498-L501 PolarHBondContact O-N 3.17Å; P498-S502 PolarHBondContact O-N 3Å | ||
| 499 | K | 91.6 | Very high | 92.8 | Very high | 164 Ų | 164 | 91.7 Ų | 91.7 | 71% | 0.713 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -48.4 | -51.5 | -170.3 | -69.9 | -168 | 175.8 | -170.1 | 0 | 114.4 | V497 L501 S502 E503 | V497-K499 PolarHBondContact O-N 3.1Å; K499-L501 VanDerWaalsContact C-N 3.25Å; K499-L501 PolarHBondContact O-N 2.75Å; K499-S502 CarbonylContact O-C 3.56Å; K499-S502 WeakPolarHBondContact O-CA 3.29Å; K499-S502 WeakPolarHBondContact O-CB 3.46Å; K499-S502 PolarHBondContact O-N 2.91Å; K499-E503 WeakPolarHBondContact O-CB 3.32Å; K499-E503 WeakPolarHBondContact O-CG 3.26Å; K499-E503 PolarHBondContact O-N 2.88Å |
| 500 | G | 90.5 | Very high | 92.6 | Very high | 51 Ų | 51 | 89.7 Ų | 89.7 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.2 | -25 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P498 R504 | P498-G500 PolarHBondContact O-N 3.24Å; G500-R504 VanDerWaalsContact O-CB 3.32Å; G500-R504 WeakPolarHBondContact O-CB 3.37Å; G500-R504 PolarHBondContact O-N 2.98Å |
| 501 | L | 89.6 | Confident | 92 | Very high | 89 Ų | 89 | 86.8 Ų | 86.8 | 47% | 0.466 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -80.5 | -39.9 | 170.3 | -179.4 | 58.8 | 0 | 0 | 0 | 111 | V497 P498 K499 R504 V505 | V497-L501 HydrophobicContact CG1-CB 4.09Å; V497-L501 HydrophobicContact CG1-CD2 3.92Å; V497-L501 HydrophobicContact CG1-CG 3.97Å; P498-L501 PolarHBondContact O-N 3.17Å; K499-L501 VanDerWaalsContact C-N 3.25Å; K499-L501 PolarHBondContact O-N 2.75Å; L501-R504 PolarHBondContact O-N 2.98Å; L501-V505 HydrophobicContact CD1-CG2 4.2Å; L501-V505 WeakPolarHBondContact O-CB 3.33Å; L501-V505 VanDerWaalsContact O-CG2 3.28Å; L501-V505 WeakPolarHBondContact O-CG2 3.37Å; L501-V505 PolarHBondContact O-N 3.18Å |
| 502 | S | 91.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 83.8 Ų | 83.8 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | P498 K499 M506 | P498-S502 PolarHBondContact O-N 3Å; K499-S502 CarbonylContact O-C 3.56Å; K499-S502 WeakPolarHBondContact O-CA 3.29Å; K499-S502 WeakPolarHBondContact O-CB 3.46Å; K499-S502 PolarHBondContact O-N 2.91Å; S502-M506 WeakPolarHBondContact O-CG 3.33Å; S502-M506 PolarHBondContact O-N 3.33Å; S502-M506 VanDerWaalsContact O-N 3.12Å |
| 503 | E | 89.9 | Confident | 91 | Very high | 112 Ų | 112 | 86 Ų | 86 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.8 | -51.3 | 177.6 | -73.6 | 155.6 | -168.6 | 0 | 0 | 110.1 | K499 V505 M506 D507 | K499-E503 WeakPolarHBondContact O-CB 3.32Å; K499-E503 WeakPolarHBondContact O-CG 3.26Å; K499-E503 PolarHBondContact O-N 2.88Å; E503-V505 VanDerWaalsContact C-N 3.33Å; E503-V505 PolarHBondContact O-N 3.09Å; E503-M506 WeakPolarHBondContact O-CB 3.2Å; E503-M506 PolarHBondContact O-N 2.96Å; E503-D507 PolarHBondContact O-N 3.27Å |
| 504 | R | 87.4 | Confident | 90.5 | Very high | 106 Ų | 106 | 82.3 Ų | 82.3 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58 | -38.5 | 176.5 | -179.3 | 172.1 | 162.6 | -135.8 | -14.7 | 113.8 | G500 L501 Y508 D575 | G500-R504 VanDerWaalsContact O-CB 3.32Å; G500-R504 WeakPolarHBondContact O-CB 3.37Å; G500-R504 PolarHBondContact O-N 2.98Å; L501-R504 PolarHBondContact O-N 2.98Å; R504-Y508 WeakPolarHBondContact O-CB 3.19Å; R504-Y508 PolarHBondContact O-N 2.84Å; R504-D575 IonicContact CZ-OD1 3.24Å; R504-D575 IonicContact NE-OD1 2.8Å; R504-D575 PolarHBondContact NE-OD1 3.45Å; R504-D575 IonicContact NH2-OD1 2.82Å; R504-D575 PolarHBondContact NH2-OD1 3.03Å |
| 505 | V | 90.6 | Very high | 89.7 | Confident | 47 Ų | 47 | 82.6 Ų | 82.6 | 29% | 0.285 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 174.8 | 167.7 | 0 | 0 | 0 | 0 | 111.6 | V488 L492 L501 E503 I509 | V488-V505 HydrophobicContact CG1-CG1 4.22Å; L492-V505 HydrophobicContact CD1-CB 4.4Å; L492-V505 HydrophobicContact CD1-CG1 4.08Å; L492-V505 HydrophobicContact CD2-CG1 4.4Å; L501-V505 HydrophobicContact CD1-CG2 4.2Å; L501-V505 WeakPolarHBondContact O-CB 3.33Å; L501-V505 VanDerWaalsContact O-CG2 3.28Å; L501-V505 WeakPolarHBondContact O-CG2 3.37Å; L501-V505 PolarHBondContact O-N 3.18Å; E503-V505 VanDerWaalsContact C-N 3.33Å; E503-V505 PolarHBondContact O-N 3.09Å; V505-I509 HydrophobicContact CG1-CD1 4.07Å; V505-I509 WeakPolarHBondContact O-CG1 3.44Å; V505-I509 PolarHBondContact O-N 3.14Å; V505-I509 VanDerWaalsContact O-N 3.15Å |
| 506 | M | 91.6 | Very high | 89.1 | Confident | 29 Ų | 29 | 77.1 Ų | 77.1 | 14% | 0.143 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 177.3 | -68.1 | -71.1 | -69.5 | 0 | 0 | 111.2 | L485 V488 R489 L492 S502 E503 Y508 I509 V510 | L485-M506 HydrophobicContact CD1-CE 3.56Å; L485-M506 HydrophobicContact CD1-SD 4.05Å; L485-M506 HydrophobicContact CD2-CE 4.49Å; L485-M506 HydrophobicContact CG-CE 3.84Å; V488-M506 HydrophobicContact CG1-SD 4.26Å; R489-M506 HydrophobicContact CB-CE 4.38Å; R489-M506 HydrophobicContact CB-SD 4.48Å; L492-M506 HydrophobicContact CD1-CG 4.06Å; L492-M506 HydrophobicContact CD1-SD 4.13Å; S502-M506 WeakPolarHBondContact O-CG 3.33Å; S502-M506 PolarHBondContact O-N 3.33Å; S502-M506 VanDerWaalsContact O-N 3.12Å; E503-M506 WeakPolarHBondContact O-CB 3.2Å; E503-M506 PolarHBondContact O-N 2.96Å; M506-Y508 VanDerWaalsContact C-N 3.35Å; M506-Y508 PolarHBondContact O-N 3.09Å; M506-I509 PolarHBondContact O-N 3.45Å; M506-I509 VanDerWaalsContact O-N 3.15Å; M506-V510 VanDerWaalsContact O-CG2 3.26Å; M506-V510 WeakPolarHBondContact O-CG2 3.45Å; M506-V510 PolarHBondContact O-N 3.5Å |
| 507 | D | 88.7 | Confident | 88.5 | Confident | 105 Ų | 105 | 76.1 Ų | 76.1 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.5 | -38.7 | 177.6 | -69.8 | -23.2 | 0 | 0 | 0 | 112.1 | E503 I509 V510 S511 | E503-D507 PolarHBondContact O-N 3.27Å; D507-I509 PolarHBondContact O-N 3.06Å; D507-V510 PolarHBondContact O-N 2.91Å; D507-S511 VanDerWaalsContact O-CB 3.32Å; D507-S511 WeakPolarHBondContact O-CB 3.27Å; D507-S511 PolarHBondContact O-N 2.91Å; D507-S511 PolarHBondContact O-OG 2.92Å |
| 508 | Y | 85.7 | Confident | 88 | Confident | 107 Ų | 107 | 75.8 Ų | 75.8 | 42% | 0.42 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 171.4 | 172.5 | -96.6 | 0 | 0 | 0 | 112 | R504 M506 S511 T512 | R504-Y508 WeakPolarHBondContact O-CB 3.19Å; R504-Y508 PolarHBondContact O-N 2.84Å; M506-Y508 VanDerWaalsContact C-N 3.35Å; M506-Y508 PolarHBondContact O-N 3.09Å; Y508-S511 PolarHBondContact O-OG 3.44Å; Y508-S511 VanDerWaalsContact O-OG 3.14Å; Y508-T512 WeakPolarHBondContact O-CB 3.33Å; Y508-T512 PolarHBondContact O-N 3.5Å; Y508-T512 PolarHBondContact O-OG1 3.45Å |
| 509 | I | 89.3 | Confident | 87.6 | Confident | 26 Ų | 26 | 76.2 Ų | 76.2 | 13% | 0.133 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 179 | -69.4 | 165.9 | 0 | 0 | 0 | 111.4 | Y481 M484 L485 V488 V505 M506 D507 W513 | Y481-I509 HydrophobicContact CE2-CG2 4.41Å; M484-I509 HydrophobicContact CE-CG2 3.79Å; L485-I509 HydrophobicContact CD1-CG2 3.89Å; V488-I509 HydrophobicContact CB-CD1 4.22Å; V488-I509 HydrophobicContact CG1-CD1 3.69Å; V488-I509 HydrophobicContact CG2-CD1 4.04Å; V505-I509 HydrophobicContact CG1-CD1 4.07Å; V505-I509 WeakPolarHBondContact O-CG1 3.44Å; V505-I509 PolarHBondContact O-N 3.14Å; V505-I509 VanDerWaalsContact O-N 3.15Å; M506-I509 PolarHBondContact O-N 3.45Å; M506-I509 VanDerWaalsContact O-N 3.15Å; D507-I509 PolarHBondContact O-N 3.06Å; I509-W513 VanDerWaalsContact O-CB 3.31Å; I509-W513 WeakPolarHBondContact O-CB 2.98Å; I509-W513 PolarHBondContact O-N 3.15Å |
| 510 | V | 90.1 | Very high | 87.4 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 179.2 | 173 | 0 | 0 | 0 | 0 | 111 | Y481 L485 M506 D507 W513 S514 | Y481-V510 WeakPolarHBondContact OH-CG2 3.47Å; L485-V510 HydrophobicContact CD1-CG2 4.44Å; M506-V510 VanDerWaalsContact O-CG2 3.26Å; M506-V510 WeakPolarHBondContact O-CG2 3.45Å; M506-V510 PolarHBondContact O-N 3.5Å; D507-V510 PolarHBondContact O-N 2.91Å; V510-W513 PolarHBondContact O-N 2.78Å; V510-S514 PolarHBondContact O-N 3.15Å |
| 511 | S | 84.6 | Confident | 87.2 | Confident | 28 Ų | 28 | 74.9 Ų | 74.9 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 177.8 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | D507 Y508 W513 S514 M515 | D507-S511 VanDerWaalsContact O-CB 3.32Å; D507-S511 WeakPolarHBondContact O-CB 3.27Å; D507-S511 PolarHBondContact O-N 2.91Å; D507-S511 PolarHBondContact O-OG 2.92Å; Y508-S511 PolarHBondContact O-OG 3.44Å; Y508-S511 VanDerWaalsContact O-OG 3.14Å; S511-W513 VanDerWaalsContact C-N 3.31Å; S511-W513 PolarHBondContact O-N 3.46Å; S511-S514 PolarHBondContact O-N 2.73Å; S511-S514 PolarHBondContact O-OG 3.46Å; S511-M515 WeakPolarHBondContact O-CB 3.35Å; S511-M515 PolarHBondContact O-N 2.99Å |
| 512 | T | 84.5 | Confident | 87.1 | Confident | 50 Ų | 50 | 77.9 Ų | 77.9 | 31% | 0.307 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 172.8 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | Y508 S516 | Y508-T512 WeakPolarHBondContact O-CB 3.33Å; Y508-T512 PolarHBondContact O-N 3.5Å; Y508-T512 PolarHBondContact O-OG1 3.45Å; T512-S516 VanDerWaalsContact O-CB 3.26Å; T512-S516 WeakPolarHBondContact O-CB 3.43Å; T512-S516 PolarHBondContact O-N 3.31Å; T512-S516 PolarHBondContact O-OG 3.48Å |
| 513 | W | 87.3 | Confident | 87 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 175.5 | -178.2 | -93.7 | 0 | 0 | 0 | 112.6 | Y481 I509 V510 S511 M515 K517 G518 | Y481-W513 HydrophobicContact CD2-CB 3.98Å; Y481-W513 AromaticContact CD2-CD1 3.89Å; Y481-W513 AromaticContact CD2-CD2 3.26Å; Y481-W513 HydrophobicContact CD2-CD2 3.26Å; Y481-W513 AromaticContact CD2-CE2 3.74Å; Y481-W513 AromaticContact CD2-CE3 3.52Å; Y481-W513 HydrophobicContact CD2-CE3 3.52Å; Y481-W513 AromaticContact CD2-CG 3.44Å; Y481-W513 HydrophobicContact CD2-CG 3.44Å; Y481-W513 VanDerWaalsContact CD2-CG 3.44Å; Y481-W513 HydrophobicContact CD2-CZ2 4.4Å; Y481-W513 HydrophobicContact CD2-CZ3 4.17Å; Y481-W513 HydrophobicContact CE2-CB 3.54Å; Y481-W513 AromaticContact CE2-CD1 3.8Å; Y481-W513 AromaticContact CE2-CD2 3.81Å; Y481-W513 HydrophobicContact CE2-CD2 3.81Å; Y481-W513 HydrophobicContact CE2-CE3 4.31Å; Y481-W513 AromaticContact CE2-CG 3.41Å; Y481-W513 HydrophobicContact CE2-CG 3.41Å; Y481-W513 VanDerWaalsContact CE2-CG 3.41Å; Y481-W513 AromaticContact CG-CD2 3.72Å; Y481-W513 HydrophobicContact CG-CD2 3.72Å; Y481-W513 AromaticContact CG-CE2 3.65Å; Y481-W513 HydrophobicContact CG-CE3 4.12Å; Y481-W513 HydrophobicContact CG-CG 4.08Å; Y481-W513 HydrophobicContact CG-CH2 4.41Å; Y481-W513 HydrophobicContact CG-CZ2 4.04Å; Y481-W513 HydrophobicContact CG-CZ3 4.42Å; Y481-W513 AromaticContact CG-NE1 3.88Å; Y481-W513 AromaticContact CZ-CD1 3.96Å; I509-W513 VanDerWaalsContact O-CB 3.31Å; I509-W513 WeakPolarHBondContact O-CB 2.98Å; I509-W513 PolarHBondContact O-N 3.15Å; V510-W513 PolarHBondContact O-N 2.78Å; S511-W513 VanDerWaalsContact C-N 3.31Å; S511-W513 PolarHBondContact O-N 3.46Å; W513-M515 VanDerWaalsContact C-N 3.32Å; W513-M515 PolarHBondContact O-N 2.78Å; W513-K517 WeakPolarHBondContact O-CA 3.26Å; W513-K517 PolarHBondContact O-N 2.87Å; W513-G518 VanDerWaalsContact CE3-CA 3.48Å; W513-G518 VanDerWaalsContact CH2-CA 3.49Å |
| 514 | S | 84.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 57% | 0.573 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.2 | -34.4 | 179.7 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | V510 S511 | V510-S514 PolarHBondContact O-N 3.15Å; S511-S514 PolarHBondContact O-N 2.73Å; S511-S514 PolarHBondContact O-OG 3.46Å |
| 515 | M | 81.6 | Confident | 87.2 | Confident | 132 Ų | 132 | 77.3 Ų | 77.3 | 65% | 0.65 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.3 | -54.1 | 174.8 | -170.6 | 64.8 | 74.5 | 0 | 0 | 112.4 | S511 W513 K517 | S511-M515 WeakPolarHBondContact O-CB 3.35Å; S511-M515 PolarHBondContact O-N 2.99Å; W513-M515 VanDerWaalsContact C-N 3.32Å; W513-M515 PolarHBondContact O-N 2.78Å; M515-K517 VanDerWaalsContact C-N 3.34Å; M515-K517 PolarHBondContact O-N 2.85Å |
| 516 | S | 82.9 | Confident | 87.2 | Confident | 40 Ų | 40 | 79 Ų | 79 | 28% | 0.28 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -74.6 | -20.2 | -176.8 | 64.5 | 0 | 0 | 0 | 0 | 114.2 | T512 G518 I519 | T512-S516 VanDerWaalsContact O-CB 3.26Å; T512-S516 WeakPolarHBondContact O-CB 3.43Å; T512-S516 PolarHBondContact O-N 3.31Å; T512-S516 PolarHBondContact O-OG 3.48Å; S516-G518 PolarHBondContact O-N 3.4Å; S516-G518 VanDerWaalsContact O-N 3.17Å; S516-G518 PolarHBondContact OG-N 3.42Å; S516-I519 WeakPolarHBondContact O-CB 3.11Å; S516-I519 WeakPolarHBondContact O-CG1 3.28Å; S516-I519 PolarHBondContact O-N 3.21Å |
| 517 | K | 84.4 | Confident | 87.3 | Confident | 152 Ų | 152 | 84.1 Ų | 84.1 | 66% | 0.661 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 23.3 | -170.2 | -54.8 | -177.3 | -178.3 | -179.3 | 0 | 113.7 | W513 M515 | W513-K517 WeakPolarHBondContact O-CA 3.26Å; W513-K517 PolarHBondContact O-N 2.87Å; M515-K517 VanDerWaalsContact C-N 3.34Å; M515-K517 PolarHBondContact O-N 2.85Å |
| 518 | G | 84.2 | Confident | 87.4 | Confident | 28 Ų | 28 | 80.4 Ų | 80.4 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 12 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | W513 S516 D520 | W513-G518 VanDerWaalsContact CE3-CA 3.48Å; W513-G518 VanDerWaalsContact CH2-CA 3.49Å; S516-G518 PolarHBondContact O-N 3.4Å; S516-G518 VanDerWaalsContact O-N 3.17Å; S516-G518 PolarHBondContact OG-N 3.42Å; G518-D520 PolarHBondContact O-N 3.16Å |
| 519 | I | 88.8 | Confident | 87.7 | Confident | 104 Ų | 104 | 79 Ų | 79 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | trans | -84.8 | 110.9 | 179.1 | -56.8 | 174.1 | 0 | 0 | 0 | 109.9 | S516 T521 V524 | S516-I519 WeakPolarHBondContact O-CB 3.11Å; S516-I519 WeakPolarHBondContact O-CG1 3.28Å; S516-I519 PolarHBondContact O-N 3.21Å; I519-T521 PolarHBondContact O-N 3.06Å; I519-V524 HydrophobicContact CG2-CG2 3.83Å | ||
| 520 | D | 86.9 | Confident | 87.8 | Confident | 86 Ų | 86 | 86 Ų | 86 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | trans | -68.9 | 105.9 | 167.1 | 176.7 | -14.5 | 0 | 0 | 0 | 109.8 | G518 E522 K523 V524 | G518-D520 PolarHBondContact O-N 3.16Å; D520-E522 PolarHBondContact OD1-N 3.06Å; D520-K523 HydrophobicContact CB-CB 3.95Å; D520-K523 WeakPolarHBondContact OD1-CB 3.49Å; D520-K523 PolarHBondContact OD1-N 3.45Å; D520-K523 WeakPolarHBondContact OD2-CB 3.26Å; D520-V524 WeakPolarHBondContact O-CG2 3.34Å; D520-V524 PolarHBondContact O-N 3.46Å | ||
| 521 | T | 87.7 | Confident | 87.7 | Confident | 100 Ų | 100 | 87.8 Ų | 87.8 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.9 | -39.5 | -174.8 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | I519 V524 L525 | I519-T521 PolarHBondContact O-N 3.06Å; T521-V524 PolarHBondContact O-N 2.78Å; T521-L525 WeakPolarHBondContact O-CB 3.5Å; T521-L525 VanDerWaalsContact O-CG 3.25Å; T521-L525 WeakPolarHBondContact O-CG 3.3Å; T521-L525 PolarHBondContact O-N 3.07Å |
| 522 | E | 86.6 | Confident | 88.1 | Confident | 153 Ų | 153 | 91.6 Ų | 91.6 | 72% | 0.715 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | 178 | -173.8 | 175.2 | 176.8 | 0 | 0 | 110.7 | D520 L525 S526 | D520-E522 PolarHBondContact OD1-N 3.06Å; E522-L525 PolarHBondContact O-N 3.32Å; E522-S526 WeakPolarHBondContact O-CB 3.45Å; E522-S526 PolarHBondContact O-N 2.95Å |
| 523 | K | 89.2 | Confident | 88.5 | Confident | 128 Ų | 128 | 92.9 Ų | 92.9 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66 | -37.2 | 175.5 | -174 | 174.3 | -176.9 | 175.9 | 0 | 113.2 | D520 S526 I527 | D520-K523 HydrophobicContact CB-CB 3.95Å; D520-K523 WeakPolarHBondContact OD1-CB 3.49Å; D520-K523 PolarHBondContact OD1-N 3.45Å; D520-K523 WeakPolarHBondContact OD2-CB 3.26Å; K523-S526 PolarHBondContact O-N 3.11Å; K523-S526 PolarHBondContact O-OG 3.45Å; K523-I527 WeakPolarHBondContact O-CG1 3.47Å; K523-I527 PolarHBondContact O-N 2.91Å |
| 524 | V | 92.4 | Very high | 88.8 | Confident | 74 Ų | 74 | 90.5 Ų | 90.5 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 172.4 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | I519 D520 T521 S526 I527 | I519-V524 HydrophobicContact CG2-CG2 3.83Å; D520-V524 WeakPolarHBondContact O-CG2 3.34Å; D520-V524 PolarHBondContact O-N 3.46Å; T521-V524 PolarHBondContact O-N 2.78Å; V524-S526 VanDerWaalsContact C-N 3.3Å; V524-S526 PolarHBondContact O-N 3.26Å; V524-I527 PolarHBondContact O-N 3.36Å |
| 525 | L | 90.3 | Very high | 89.2 | Confident | 32 Ų | 32 | 89.8 Ų | 89.8 | 17% | 0.168 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65.9 | -29.1 | 177.6 | -71.1 | 169 | 0 | 0 | 0 | 112.9 | T521 E522 I527 C528 R533 I536 | T521-L525 WeakPolarHBondContact O-CB 3.5Å; T521-L525 VanDerWaalsContact O-CG 3.25Å; T521-L525 WeakPolarHBondContact O-CG 3.3Å; T521-L525 PolarHBondContact O-N 3.07Å; E522-L525 PolarHBondContact O-N 3.32Å; L525-I527 VanDerWaalsContact C-N 3.34Å; L525-C528 PolarHBondContact O-N 3.18Å; L525-R533 HydrophobicContact CB-CG 4.03Å; L525-R533 HydrophobicContact CD2-CG 3.94Å; L525-R533 WeakPolarHBondContact O-CD 3.42Å; L525-R533 WeakPolarHBondContact O-CG 3.35Å; L525-I536 HydrophobicContact CD2-CB 4.12Å; L525-I536 HydrophobicContact CD2-CG2 3.67Å |
| 526 | S | 89.9 | Confident | 89.8 | Confident | 83 Ų | 83 | 86.7 Ų | 86.7 | 58% | 0.58 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -73.2 | -23.6 | 177.3 | 77.9 | 0 | 0 | 0 | 0 | 113.9 | E522 K523 V524 C528 | E522-S526 WeakPolarHBondContact O-CB 3.45Å; E522-S526 PolarHBondContact O-N 2.95Å; K523-S526 PolarHBondContact O-N 3.11Å; K523-S526 PolarHBondContact O-OG 3.45Å; V524-S526 VanDerWaalsContact C-N 3.3Å; V524-S526 PolarHBondContact O-N 3.26Å; S526-C528 VanDerWaalsContact C-N 3.31Å |
| 527 | I | 92.8 | Very high | 90.4 | Very high | 135 Ų | 135 | 85.2 Ų | 85.2 | 69% | 0.692 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -72.4 | -27.5 | 172.2 | -64.1 | 163.9 | 0 | 0 | 0 | 110.9 | K523 V524 L525 | K523-I527 WeakPolarHBondContact O-CG1 3.47Å; K523-I527 PolarHBondContact O-N 2.91Å; V524-I527 PolarHBondContact O-N 3.36Å; L525-I527 VanDerWaalsContact C-N 3.34Å |
| 528 | C | 91.4 | Very high | 90.9 | Very high | 27 Ų | 27 | 79.5 Ų | 79.5 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -77.7 | 140.1 | -179 | -63 | 0 | 0 | 0 | 0 | 112.6 | L525 S526 R533 | L525-C528 PolarHBondContact O-N 3.18Å; S526-C528 VanDerWaalsContact C-N 3.31Å; C528-R533 HydrophobicContact CB-CB 4.06Å |
| 529 | P | 92.9 | Very high | 91.4 | Very high | 79 Ų | 79 | 83.6 Ų | 83.6 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | trans | -64.2 | 153.9 | 171.2 | 29.5 | -34.9 | 0 | 0 | 0 | 110.6 | D531 M532 R533 | P529-D531 PolarHBondContact O-N 3.33Å; P529-M532 HydrophobicContact CG-CB 4.03Å; P529-M532 HydrophobicContact CG-CG 3.9Å; P529-M532 HydrophobicContact CG-SD 3.63Å; P529-M532 PolarHBondContact O-N 2.94Å; P529-R533 WeakPolarHBondContact O-CB 3.26Å; P529-R533 PolarHBondContact O-N 3.27Å | ||
| 530 | K | 89.9 | Confident | 91.5 | Very high | 172 Ų | 172 | 82.6 Ų | 82.6 | 75% | 0.748 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -49 | -39.5 | -168.5 | -65.9 | -172.9 | 179.4 | -176 | 0 | 114.9 | A534 | K530-A534 PolarHBondContact O-N 2.97Å; K530-A534 VanDerWaalsContact O-N 3.07Å |
| 531 | D | 89.6 | Confident | 91.9 | Very high | 102 Ų | 102 | 78.7 Ų | 78.7 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.2 | -55.8 | -177.1 | -166.3 | 41.1 | 0 | 0 | 0 | 111.8 | P529 R533 A534 D535 R560 | P529-D531 PolarHBondContact O-N 3.33Å; D531-R533 PolarHBondContact O-N 3.27Å; D531-R533 VanDerWaalsContact O-N 3.16Å; D531-A534 WeakPolarHBondContact O-CA 3.23Å; D531-A534 WeakPolarHBondContact O-CB 3.3Å; D531-A534 PolarHBondContact O-N 3.23Å; D531-D535 PolarHBondContact O-N 3.17Å; D531-R560 IonicContact OD1-CZ 2.84Å; D531-R560 IonicContact OD1-NH1 3.75Å; D531-R560 PolarHBondContact OD1-NH1 3.49Å |
| 532 | M | 92 | Very high | 92.2 | Very high | 108 Ų | 108 | 79.2 Ų | 79.2 | 53% | 0.532 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -54.5 | -37 | 172.4 | -67 | 179.7 | 68.1 | 0 | 0 | 112.4 | P529 D535 I536 | P529-M532 HydrophobicContact CG-CB 4.03Å; P529-M532 HydrophobicContact CG-CG 3.9Å; P529-M532 HydrophobicContact CG-SD 3.63Å; P529-M532 PolarHBondContact O-N 2.94Å; M532-D535 PolarHBondContact O-N 2.96Å; M532-I536 WeakPolarHBondContact O-CD1 3.32Å; M532-I536 WeakPolarHBondContact O-CG1 3.48Å; M532-I536 PolarHBondContact O-N 3.04Å |
| 533 | R | 92.8 | Very high | 92.3 | Very high | 76 Ų | 76 | 75.6 Ų | 75.6 | 29% | 0.287 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 175 | -168.9 | -179.5 | 73.9 | -160.5 | 12.1 | 111.3 | L525 C528 P529 D531 I536 C537 | L525-R533 HydrophobicContact CB-CG 4.03Å; L525-R533 HydrophobicContact CD2-CG 3.94Å; L525-R533 WeakPolarHBondContact O-CD 3.42Å; L525-R533 WeakPolarHBondContact O-CG 3.35Å; C528-R533 HydrophobicContact CB-CB 4.06Å; P529-R533 WeakPolarHBondContact O-CB 3.26Å; P529-R533 PolarHBondContact O-N 3.27Å; D531-R533 PolarHBondContact O-N 3.27Å; D531-R533 VanDerWaalsContact O-N 3.16Å; R533-I536 PolarHBondContact O-N 3.13Å; R533-C537 VanDerWaalsContact O-CB 3.29Å; R533-C537 WeakPolarHBondContact O-CB 3.16Å; R533-C537 PolarHBondContact O-N 3.04Å; R533-C537 PolarHBondContact O-SG 3.04Å |
| 534 | A | 93.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 69.5 Ų | 69.5 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K530 D531 C537 V538 R560 V564 | K530-A534 PolarHBondContact O-N 2.97Å; K530-A534 VanDerWaalsContact O-N 3.07Å; D531-A534 WeakPolarHBondContact O-CA 3.23Å; D531-A534 WeakPolarHBondContact O-CB 3.3Å; D531-A534 PolarHBondContact O-N 3.23Å; A534-C537 WeakPolarHBondContact O-CB 3.2Å; A534-C537 PolarHBondContact O-N 3.14Å; A534-V538 WeakPolarHBondContact O-CG2 3.46Å; A534-V538 PolarHBondContact O-N 3.07Å; A534-R560 HydrophobicContact CB-CB 4.01Å; A534-R560 HydrophobicContact CB-CG 4.05Å; A534-V564 HydrophobicContact CB-CG2 4Å |
| 535 | D | 94.1 | Very high | 92.7 | Very high | 67 Ų | 67 | 66.5 Ų | 66.5 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.3 | -75.8 | -58.3 | 0 | 0 | 0 | 112.9 | D531 M532 V538 H539 R560 | D531-D535 PolarHBondContact O-N 3.17Å; M532-D535 PolarHBondContact O-N 2.96Å; D535-V538 PolarHBondContact O-N 2.88Å; D535-H539 WeakPolarHBondContact O-CB 3.37Å; D535-H539 PolarHBondContact O-N 2.91Å; D535-R560 IonicContact OD1-CZ 2.66Å; D535-R560 VanDerWaalsContact OD1-CZ 3.29Å; D535-R560 IonicContact OD1-NH1 3.11Å; D535-R560 PolarHBondContact OD1-NH1 3.24Å; D535-R560 VanDerWaalsContact OD1-NH1 3.12Å; D535-R560 IonicContact OD1-NH2 2.66Å; D535-R560 PolarHBondContact OD1-NH2 2.81Å; D535-R560 IonicContact OD2-CZ 2.67Å; D535-R560 IonicContact OD2-NH1 3.75Å; D535-R560 PolarHBondContact OD2-NH1 3.13Å; D535-R560 IonicContact OD2-NH2 2.66Å |
| 536 | I | 94.5 | Very high | 92.8 | Very high | 66 Ų | 66 | 71.6 Ų | 71.6 | 34% | 0.338 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 174.6 | -66.3 | 161.9 | 0 | 0 | 0 | 110.1 | L525 M532 R533 V538 H539 L540 | L525-I536 HydrophobicContact CD2-CB 4.12Å; L525-I536 HydrophobicContact CD2-CG2 3.67Å; M532-I536 WeakPolarHBondContact O-CD1 3.32Å; M532-I536 WeakPolarHBondContact O-CG1 3.48Å; M532-I536 PolarHBondContact O-N 3.04Å; R533-I536 PolarHBondContact O-N 3.13Å; I536-V538 VanDerWaalsContact C-N 3.35Å; I536-V538 PolarHBondContact O-N 3.18Å; I536-H539 PolarHBondContact O-N 3.38Å; I536-L540 HydrophobicContact CG2-CD1 4.05Å; I536-L540 HydrophobicContact CG2-CG 4.4Å; I536-L540 WeakPolarHBondContact O-CG 3.46Å; I536-L540 PolarHBondContact O-N 3.45Å |
| 537 | C | 94.1 | Very high | 92.8 | Very high | 10 Ų | 10 | 71.8 Ų | 71.8 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 174.9 | -77.5 | 0 | 0 | 0 | 0 | 112.4 | R533 A534 L540 N541 A563 V564 | R533-C537 VanDerWaalsContact O-CB 3.29Å; R533-C537 WeakPolarHBondContact O-CB 3.16Å; R533-C537 PolarHBondContact O-N 3.04Å; R533-C537 PolarHBondContact O-SG 3.04Å; A534-C537 WeakPolarHBondContact O-CB 3.2Å; A534-C537 PolarHBondContact O-N 3.14Å; C537-L540 PolarHBondContact O-N 3.44Å; C537-N541 WeakPolarHBondContact O-CB 3.31Å; C537-N541 PolarHBondContact O-N 3.44Å; C537-N541 PolarHBondContact O-ND2 3.16Å; C537-A563 HydrophobicContact CB-CB 3.79Å; C537-A563 WeakPolarHBondContact CB-O 3.37Å; C537-V564 HydrophobicContact CB-CG2 4.34Å |
| 538 | V | 95.2 | Very high | 92.8 | Very high | 32 Ų | 32 | 66 Ų | 66 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 175.1 | 169 | 0 | 0 | 0 | 0 | 110.5 | A534 D535 I536 N541 R542 F545 L559 R560 A563 | A534-V538 WeakPolarHBondContact O-CG2 3.46Å; A534-V538 PolarHBondContact O-N 3.07Å; D535-V538 PolarHBondContact O-N 2.88Å; I536-V538 VanDerWaalsContact C-N 3.35Å; I536-V538 PolarHBondContact O-N 3.18Å; V538-N541 CarbonylContact O-C 3.57Å; V538-N541 PolarHBondContact O-N 3.47Å; V538-R542 PolarHBondContact O-N 3.12Å; V538-F545 HydrophobicContact CG1-CD2 4.47Å; V538-F545 HydrophobicContact CG2-CE2 4.43Å; V538-L559 HydrophobicContact CG2-CB 4.5Å; V538-R560 HydrophobicContact CG2-CG 4.44Å; V538-A563 HydrophobicContact CB-CB 4.36Å; V538-A563 HydrophobicContact CG2-CB 3.57Å |
| 539 | H | 94.1 | Very high | 92.8 | Very high | 113 Ų | 113 | 68.8 Ų | 68.8 | 52% | 0.523 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 175.8 | -176.8 | 84.8 | 0 | 0 | 0 | 112.8 | D535 I536 R542 | D535-H539 WeakPolarHBondContact O-CB 3.37Å; D535-H539 PolarHBondContact O-N 2.91Å; I536-H539 PolarHBondContact O-N 3.38Å; H539-R542 PolarHBondContact CD2-NH1 3.3Å; H539-R542 PolarHBondContact NE2-NH1 3.09Å; H539-R542 VanDerWaalsContact NE2-NH1 3.17Å; H539-R542 WeakPolarHBondContact O-CB 3.38Å; H539-R542 VanDerWaalsContact O-CD 3.23Å; H539-R542 WeakPolarHBondContact O-CD 3.43Å; H539-R542 WeakPolarHBondContact O-CG 3.19Å; H539-R542 PolarHBondContact O-N 2.96Å; H539-R542 PolarHBondContact O-NH1 3.13Å |
| 540 | L | 91.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 65 Ų | 65 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 174.5 | -71.5 | 168.8 | 0 | 0 | 0 | 110.8 | I536 C537 R542 | I536-L540 HydrophobicContact CG2-CD1 4.05Å; I536-L540 HydrophobicContact CG2-CG 4.4Å; I536-L540 WeakPolarHBondContact O-CG 3.46Å; I536-L540 PolarHBondContact O-N 3.45Å; C537-L540 PolarHBondContact O-N 3.44Å; L540-R542 VanDerWaalsContact C-N 3.26Å; L540-R542 PolarHBondContact O-N 3.43Å |
| 541 | N | 94.6 | Very high | 93 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 2.8 | -179.1 | -70.9 | -67.7 | 0 | 0 | 0 | 114.7 | C537 V538 K543 V544 F545 A563 F566 H639 | C537-N541 WeakPolarHBondContact O-CB 3.31Å; C537-N541 PolarHBondContact O-N 3.44Å; C537-N541 PolarHBondContact O-ND2 3.16Å; V538-N541 CarbonylContact O-C 3.57Å; V538-N541 PolarHBondContact O-N 3.47Å; N541-K543 PolarHBondContact O-N 3.01Å; N541-V544 WeakPolarHBondContact O-CB 3.26Å; N541-V544 PolarHBondContact O-N 3.15Å; N541-F545 HydrophobicContact CB-CD2 3.9Å; N541-F545 HydrophobicContact CB-CE2 3.41Å; N541-F545 VanDerWaalsContact CB-CE2 3.41Å; N541-F545 HydrophobicContact CB-CZ 3.86Å; N541-F545 PolarHBondContact O-N 2.75Å; N541-A563 PolarHBondContact ND2-O 3.01Å; N541-F566 WeakPolarHBondContact ND2-CB 3.49Å; N541-F566 VanDerWaalsContact OD1-CB 3.3Å; N541-F566 WeakPolarHBondContact OD1-CB 3.27Å; N541-H639 PolarHBondContact OD1-ND1 3.23Å |
| 542 | R | 93.6 | Very high | 93 | Very high | 112 Ų | 112 | 63.2 Ų | 63.2 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -53.8 | -32.4 | -173.3 | 73.7 | -172.8 | 179.4 | -83.1 | 7.8 | 114.9 | V538 H539 L540 N546 | V538-R542 PolarHBondContact O-N 3.12Å; H539-R542 PolarHBondContact CD2-NH1 3.3Å; H539-R542 PolarHBondContact NE2-NH1 3.09Å; H539-R542 VanDerWaalsContact NE2-NH1 3.17Å; H539-R542 WeakPolarHBondContact O-CB 3.38Å; H539-R542 VanDerWaalsContact O-CD 3.23Å; H539-R542 WeakPolarHBondContact O-CD 3.43Å; H539-R542 WeakPolarHBondContact O-CG 3.19Å; H539-R542 PolarHBondContact O-N 2.96Å; H539-R542 PolarHBondContact O-NH1 3.13Å; L540-R542 VanDerWaalsContact C-N 3.26Å; L540-R542 PolarHBondContact O-N 3.43Å; R542-N546 VanDerWaalsContact O-CB 3.25Å; R542-N546 WeakPolarHBondContact O-CB 3.25Å; R542-N546 VanDerWaalsContact O-CG 3.26Å; R542-N546 PolarHBondContact O-N 3.46Å |
| 543 | K | 90.3 | Very high | 93 | Very high | 76 Ų | 76 | 63.7 Ų | 63.7 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 175.9 | -69.1 | 179.7 | 177.4 | 179.5 | 0 | 110.3 | N541 E547 V591 | N541-K543 PolarHBondContact O-N 3.01Å; K543-E547 WeakPolarHBondContact O-CB 3.25Å; K543-E547 WeakPolarHBondContact O-CG 3.39Å; K543-E547 PolarHBondContact O-N 2.97Å; K543-V591 HydrophobicContact CB-CG1 3.72Å; K543-V591 HydrophobicContact CD-CG1 3.17Å; K543-V591 HydrophobicContact CG-CG1 4.11Å |
| 544 | V | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | N541 N546 H548 F551 F566 F589 V591 H639 | N541-V544 WeakPolarHBondContact O-CB 3.26Å; N541-V544 PolarHBondContact O-N 3.15Å; V544-N546 PolarHBondContact O-N 3.11Å; V544-H548 PolarHBondContact O-CD2 3.11Å; V544-H548 VanDerWaalsContact O-CD2 3.27Å; V544-H548 PolarHBondContact O-N 3.23Å; V544-F551 HydrophobicContact CG1-CD2 4.06Å; V544-F551 HydrophobicContact CG1-CE2 3.53Å; V544-F551 HydrophobicContact CG1-CZ 4.27Å; V544-F566 HydrophobicContact CG1-CE1 4.42Å; V544-F566 HydrophobicContact CG1-CZ 4.13Å; V544-F589 HydrophobicContact CG1-CB 4.32Å; V544-F589 HydrophobicContact CG1-CD1 3.93Å; V544-F589 HydrophobicContact CG1-CD2 4.4Å; V544-F589 HydrophobicContact CG1-CE1 4.34Å; V544-F589 HydrophobicContact CG1-CG 3.97Å; V544-F589 HydrophobicContact CG2-CB 4.19Å; V544-V591 HydrophobicContact CG2-CG2 3.57Å; V544-H639 HydrophobicContact CG2-CB 3.57Å |
| 545 | F | 94.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 63.6 Ų | 63.6 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.4 | -30.4 | -174.1 | -60.4 | -40.1 | 0 | 0 | 0 | 114.2 | V538 N541 F551 L559 L562 A563 F566 | V538-F545 HydrophobicContact CG1-CD2 4.47Å; V538-F545 HydrophobicContact CG2-CE2 4.43Å; N541-F545 HydrophobicContact CB-CD2 3.9Å; N541-F545 HydrophobicContact CB-CE2 3.41Å; N541-F545 VanDerWaalsContact CB-CE2 3.41Å; N541-F545 HydrophobicContact CB-CZ 3.86Å; N541-F545 PolarHBondContact O-N 2.75Å; F545-F551 HydrophobicContact CB-CB 4.42Å; F545-F551 HydrophobicContact CD1-CB 4.05Å; F545-F551 AromaticContact CD1-CD1 3.97Å; F545-F551 HydrophobicContact CD1-CD1 3.97Å; F545-F551 HydrophobicContact CD1-CD2 4.03Å; F545-F551 HydrophobicContact CD1-CE1 4.46Å; F545-F551 AromaticContact CD1-CG 3.74Å; F545-F551 HydrophobicContact CD1-CG 3.74Å; F545-F551 HydrophobicContact CE1-CD1 4.19Å; F545-F551 HydrophobicContact CE1-CE1 4.34Å; F545-F551 HydrophobicContact CE1-CG 4.4Å; F545-L559 HydrophobicContact CB-CD2 4.2Å; F545-L559 HydrophobicContact CD1-CD2 3.69Å; F545-L559 HydrophobicContact CD2-CD2 4.23Å; F545-L559 HydrophobicContact CE1-CD2 4.05Å; F545-L559 HydrophobicContact CG-CD2 3.8Å; F545-L559 HydrophobicContact CZ-CD2 4.46Å; F545-L562 HydrophobicContact CE1-CB 4.25Å; F545-L562 HydrophobicContact CE1-CD1 4.44Å; F545-L562 HydrophobicContact CZ-CB 4.17Å; F545-A563 HydrophobicContact CE2-CB 3.76Å; F545-A563 HydrophobicContact CZ-CB 3.88Å; F545-F566 HydrophobicContact CE1-CD2 4.19Å; F545-F566 AromaticContact CE1-CE2 3.79Å; F545-F566 HydrophobicContact CE1-CE2 3.79Å; F545-F566 HydrophobicContact CZ-CD2 4.03Å; F545-F566 HydrophobicContact CZ-CE2 4.12Å |
| 546 | N | 91.8 | Very high | 93 | Very high | 139 Ų | 139 | 64.7 Ų | 64.7 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -89.5 | -30.6 | -179.5 | -65.7 | -1.2 | 0 | 0 | 0 | 113.1 | R542 V544 | R542-N546 VanDerWaalsContact O-CB 3.25Å; R542-N546 WeakPolarHBondContact O-CB 3.25Å; R542-N546 VanDerWaalsContact O-CG 3.26Å; R542-N546 PolarHBondContact O-N 3.46Å; V544-N546 PolarHBondContact O-N 3.11Å |
| 547 | E | 91.5 | Very high | 92.9 | Very high | 88 Ų | 88 | 63 Ų | 63 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -88.6 | -33.6 | -175 | -62.2 | 179.2 | -173 | 0 | 0 | 113.2 | K543 K609 | K543-E547 WeakPolarHBondContact O-CB 3.25Å; K543-E547 WeakPolarHBondContact O-CG 3.39Å; K543-E547 PolarHBondContact O-N 2.97Å; E547-K609 IonicContact OE1-NZ 2.87Å; E547-K609 PolarHBondContact OE1-NZ 3.4Å; E547-K609 IonicContact OE2-NZ 2.69Å; E547-K609 PolarHBondContact OE2-NZ 2.89Å |
| 548 | H | 92.4 | Very high | 93 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 6% | 0.06 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -91.2 | 129.6 | -179 | -59.3 | -82.7 | 0 | 0 | 0 | 112.9 | V544 A550 F551 F589 G610 V612 | V544-H548 PolarHBondContact O-CD2 3.11Å; V544-H548 VanDerWaalsContact O-CD2 3.27Å; V544-H548 PolarHBondContact O-N 3.23Å; H548-A550 PolarHBondContact O-N 2.97Å; H548-F551 HydrophobicContact CB-CD2 4.08Å; H548-F551 HydrophobicContact CB-CE2 4.34Å; H548-F551 PolarHBondContact O-N 3.05Å; H548-F589 AromaticContact CD2-CD1 3.69Å; H548-F589 AromaticContact CE1-CD1 3.85Å; H548-F589 AromaticContact NE2-CD1 3.49Å; H548-F589 WeakPolarHBondContact NE2-CD1 3.19Å; H548-G610 PolarHBondContact CE1-O 2.92Å; H548-G610 PolarHBondContact ND1-O 3.49Å; H548-V612 VanDerWaalsContact CE1-CG2 3.44Å; H548-V612 WeakPolarHBondContact CE1-CG2 3.34Å |
| 549 | P | 91.6 | Very high | 93 | Very high | 85 Ų | 85 | 62.6 Ų | 62.6 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.6 | -177.5 | 28.8 | -36.8 | 0 | 0 | 0 | 114.2 | F551 N663 | P549-F551 VanDerWaalsContact C-N 3.32Å; P549-F551 PolarHBondContact O-N 3.42Å; P549-N663 PolarHBondContact O-ND2 3.46Å |
| 550 | A | 93 | Very high | 93 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -33.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | H548 F656 F660 L664 | H548-A550 PolarHBondContact O-N 2.97Å; A550-F656 VanDerWaalsContact O-CE2 3.32Å; A550-F656 WeakPolarHBondContact O-CE2 3.33Å; A550-F660 HydrophobicContact CB-CD2 3.95Å; A550-F660 HydrophobicContact CB-CE2 4.16Å; A550-L664 HydrophobicContact CB-CB 3.8Å; A550-L664 HydrophobicContact CB-CD1 4.13Å; A550-L664 HydrophobicContact CB-CG 4.44Å |
| 551 | F | 94.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 2% | 0.022 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -13.7 | -173.5 | -58.3 | -69.2 | 0 | 0 | 0 | 114.2 | V544 F545 H548 P549 L553 A554 L559 L562 F566 F589 F656 F660 | V544-F551 HydrophobicContact CG1-CD2 4.06Å; V544-F551 HydrophobicContact CG1-CE2 3.53Å; V544-F551 HydrophobicContact CG1-CZ 4.27Å; F545-F551 HydrophobicContact CB-CB 4.42Å; F545-F551 HydrophobicContact CD1-CB 4.05Å; F545-F551 AromaticContact CD1-CD1 3.97Å; F545-F551 HydrophobicContact CD1-CD1 3.97Å; F545-F551 HydrophobicContact CD1-CD2 4.03Å; F545-F551 HydrophobicContact CD1-CE1 4.46Å; F545-F551 AromaticContact CD1-CG 3.74Å; F545-F551 HydrophobicContact CD1-CG 3.74Å; F545-F551 HydrophobicContact CE1-CD1 4.19Å; F545-F551 HydrophobicContact CE1-CE1 4.34Å; F545-F551 HydrophobicContact CE1-CG 4.4Å; H548-F551 HydrophobicContact CB-CD2 4.08Å; H548-F551 HydrophobicContact CB-CE2 4.34Å; H548-F551 PolarHBondContact O-N 3.05Å; P549-F551 VanDerWaalsContact C-N 3.32Å; P549-F551 PolarHBondContact O-N 3.42Å; F551-L553 PolarHBondContact O-N 2.92Å; F551-A554 VanDerWaalsContact O-CB 3.25Å; F551-A554 WeakPolarHBondContact O-CB 3.25Å; F551-A554 PolarHBondContact O-N 2.88Å; F551-L559 HydrophobicContact CB-CD2 4.29Å; F551-L562 HydrophobicContact CD1-CD1 3.87Å; F551-L562 HydrophobicContact CE1-CD1 3.75Å; F551-F566 HydrophobicContact CZ-CE2 4.46Å; F551-F566 HydrophobicContact CZ-CZ 4.17Å; F551-F589 HydrophobicContact CE2-CD1 4.42Å; F551-F589 AromaticContact CE2-CE1 3.68Å; F551-F589 HydrophobicContact CE2-CE1 3.68Å; F551-F589 AromaticContact CE2-CZ 3.9Å; F551-F589 HydrophobicContact CE2-CZ 3.9Å; F551-F589 AromaticContact CZ-CE1 3.98Å; F551-F589 HydrophobicContact CZ-CE1 3.98Å; F551-F589 HydrophobicContact CZ-CE2 4.47Å; F551-F589 AromaticContact CZ-CZ 3.69Å; F551-F589 HydrophobicContact CZ-CZ 3.69Å; F551-F656 HydrophobicContact CD1-CZ 4.02Å; F551-F656 HydrophobicContact CE1-CZ 4.47Å; F551-F660 HydrophobicContact CD1-CE2 4.43Å; F551-F660 HydrophobicContact CE1-CD2 4.22Å; F551-F660 AromaticContact CE1-CE2 3.62Å; F551-F660 HydrophobicContact CE1-CE2 3.62Å; F551-F660 AromaticContact CZ-CE2 3.79Å; F551-F660 HydrophobicContact CZ-CE2 3.79Å |
| 552 | R | 89.4 | Confident | 93.2 | Very high | 230 Ų | 230 | 57.2 Ų | 57.2 | 87% | 0.868 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.3 | 179.4 | -172.8 | 174 | 177.8 | -173 | 0.5 | 114.5 | ||
| 553 | L | 91.1 | Very high | 93.3 | Very high | 118 Ų | 118 | 51.9 Ų | 51.9 | 62% | 0.618 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 10.5 | 176.8 | -75.4 | 165 | 0 | 0 | 0 | 113.5 | F551 S659 | F551-L553 PolarHBondContact O-N 2.92Å; L553-S659 WeakPolarHBondContact CD1-OG 3.3Å |
| 554 | A | 93.4 | Very high | 93.4 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | trans | -75 | 145.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | F551 C558 L559 F656 | F551-A554 VanDerWaalsContact O-CB 3.25Å; F551-A554 WeakPolarHBondContact O-CB 3.25Å; F551-A554 PolarHBondContact O-N 2.88Å; A554-C558 HydrophobicContact CB-CB 4.35Å; A554-L559 HydrophobicContact CB-CD2 3.63Å; A554-L559 HydrophobicContact CB-CG 3.75Å; A554-F656 HydrophobicContact CB-CD2 3.95Å; A554-F656 HydrophobicContact CB-CE2 3.6Å; A554-F656 HydrophobicContact CB-CZ 4.09Å | ||
| 555 | S | 94.4 | Very high | 93.4 | Very high | 63 Ų | 63 | 55 Ų | 55 | 44% | 0.441 | 29% | 0.291 | S | S | . | . | trans | -76.9 | 156.2 | 166 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | G557 C558 L559 | S555-G557 VanDerWaalsContact C-N 3.29Å; S555-G557 PolarHBondContact O-N 3.04Å; S555-C558 CarbonylContact O-C 3.53Å; S555-C558 WeakPolarHBondContact O-CA 3.41Å; S555-C558 VanDerWaalsContact O-CB 3.31Å; S555-C558 WeakPolarHBondContact O-CB 3.43Å; S555-C558 PolarHBondContact O-N 3.3Å; S555-C558 WeakPolarHBondContact OG-CB 3.16Å; S555-C558 PolarHBondContact OG-N 3.31Å; S555-L559 PolarHBondContact O-N 3.42Å | ||
| 556 | D | 92.6 | Very high | 93.4 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53 | -44.8 | 176.4 | 167.5 | 86.7 | 0 | 0 | 0 | 112.1 | C558 L559 R560 | D556-C558 PolarHBondContact O-N 3.12Å; D556-L559 PolarHBondContact O-N 3.42Å; D556-L559 VanDerWaalsContact O-N 3.13Å; D556-R560 WeakPolarHBondContact O-CG 3.32Å; D556-R560 PolarHBondContact O-N 3.5Å; D556-R560 IonicContact OD1-CZ 2.79Å; D556-R560 IonicContact OD1-NE 2.72Å; D556-R560 PolarHBondContact OD1-NE 3.48Å; D556-R560 IonicContact OD1-NH2 3.35Å; D556-R560 PolarHBondContact OD1-NH2 2.78Å; D556-R560 VanDerWaalsContact OD1-NH2 3.1Å; D556-R560 IonicContact OD2-CZ 2.69Å; D556-R560 IonicContact OD2-NE 3.25Å; D556-R560 PolarHBondContact OD2-NE 3.37Å; D556-R560 IonicContact OD2-NH2 3.93Å |
| 557 | G | 93.4 | Very high | 93.4 | Very high | 30 Ų | 30 | 53 Ų | 53 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -28.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S555 A561 Y653 | S555-G557 VanDerWaalsContact C-N 3.29Å; S555-G557 PolarHBondContact O-N 3.04Å; G557-A561 WeakPolarHBondContact O-CB 3.37Å; G557-A561 PolarHBondContact O-N 2.93Å; G557-Y653 PolarHBondContact O-OH 3.23Å |
| 558 | C | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.5 | -42.1 | 173.1 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | A554 S555 D556 A561 L562 Y653 F656 | A554-C558 HydrophobicContact CB-CB 4.35Å; S555-C558 CarbonylContact O-C 3.53Å; S555-C558 WeakPolarHBondContact O-CA 3.41Å; S555-C558 VanDerWaalsContact O-CB 3.31Å; S555-C558 WeakPolarHBondContact O-CB 3.43Å; S555-C558 PolarHBondContact O-N 3.3Å; S555-C558 WeakPolarHBondContact OG-CB 3.16Å; S555-C558 PolarHBondContact OG-N 3.31Å; D556-C558 PolarHBondContact O-N 3.12Å; C558-A561 PolarHBondContact O-N 2.95Å; C558-L562 WeakPolarHBondContact O-CG 3.43Å; C558-L562 PolarHBondContact O-N 3.11Å; C558-Y653 HydrophobicContact CB-CD1 4.17Å; C558-Y653 HydrophobicContact CB-CD2 3.87Å; C558-Y653 HydrophobicContact CB-CE1 4.19Å; C558-Y653 HydrophobicContact CB-CE2 3.89Å; C558-Y653 HydrophobicContact CB-CG 4.01Å; C558-Y653 VanDerWaalsContact SG-CD2 3.55Å; C558-F656 VanDerWaalsContact SG-CD1 3.54Å |
| 559 | L | 95.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 54.4 Ų | 54.4 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 173 | -67 | 175.4 | 0 | 0 | 0 | 111.6 | V538 F545 F551 A554 S555 D556 A561 L562 A563 | V538-L559 HydrophobicContact CG2-CB 4.5Å; F545-L559 HydrophobicContact CB-CD2 4.2Å; F545-L559 HydrophobicContact CD1-CD2 3.69Å; F545-L559 HydrophobicContact CD2-CD2 4.23Å; F545-L559 HydrophobicContact CE1-CD2 4.05Å; F545-L559 HydrophobicContact CG-CD2 3.8Å; F545-L559 HydrophobicContact CZ-CD2 4.46Å; F551-L559 HydrophobicContact CB-CD2 4.29Å; A554-L559 HydrophobicContact CB-CD2 3.63Å; A554-L559 HydrophobicContact CB-CG 3.75Å; S555-L559 PolarHBondContact O-N 3.42Å; D556-L559 PolarHBondContact O-N 3.42Å; D556-L559 VanDerWaalsContact O-N 3.13Å; L559-A561 VanDerWaalsContact C-N 3.31Å; L559-A561 PolarHBondContact O-N 2.85Å; L559-L562 PolarHBondContact O-N 2.97Å; L559-A563 WeakPolarHBondContact O-CB 3.26Å; L559-A563 PolarHBondContact O-N 3.18Å |
| 560 | R | 95 | Very high | 93 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.2 | -44.7 | 173 | -73.2 | -176.8 | -165.5 | -81.5 | -42.6 | 111.8 | D531 A534 D535 V538 D556 V564 | D531-R560 IonicContact OD1-CZ 2.84Å; D531-R560 IonicContact OD1-NH1 3.75Å; D531-R560 PolarHBondContact OD1-NH1 3.49Å; A534-R560 HydrophobicContact CB-CB 4.01Å; A534-R560 HydrophobicContact CB-CG 4.05Å; D535-R560 IonicContact OD1-CZ 2.66Å; D535-R560 VanDerWaalsContact OD1-CZ 3.29Å; D535-R560 IonicContact OD1-NH1 3.11Å; D535-R560 PolarHBondContact OD1-NH1 3.24Å; D535-R560 VanDerWaalsContact OD1-NH1 3.12Å; D535-R560 IonicContact OD1-NH2 2.66Å; D535-R560 PolarHBondContact OD1-NH2 2.81Å; D535-R560 IonicContact OD2-CZ 2.67Å; D535-R560 IonicContact OD2-NH1 3.75Å; D535-R560 PolarHBondContact OD2-NH1 3.13Å; D535-R560 IonicContact OD2-NH2 2.66Å; V538-R560 HydrophobicContact CG2-CG 4.44Å; D556-R560 WeakPolarHBondContact O-CG 3.32Å; D556-R560 PolarHBondContact O-N 3.5Å; D556-R560 IonicContact OD1-CZ 2.79Å; D556-R560 IonicContact OD1-NE 2.72Å; D556-R560 PolarHBondContact OD1-NE 3.48Å; D556-R560 IonicContact OD1-NH2 3.35Å; D556-R560 PolarHBondContact OD1-NH2 2.78Å; D556-R560 VanDerWaalsContact OD1-NH2 3.1Å; D556-R560 IonicContact OD2-CZ 2.69Å; D556-R560 IonicContact OD2-NE 3.25Å; D556-R560 PolarHBondContact OD2-NE 3.37Å; D556-R560 IonicContact OD2-NH2 3.93Å; R560-V564 WeakPolarHBondContact O-CG2 3.2Å; R560-V564 PolarHBondContact O-N 2.93Å |
| 561 | A | 95.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 55 Ų | 55 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G557 C558 L559 V649 Y653 | G557-A561 WeakPolarHBondContact O-CB 3.37Å; G557-A561 PolarHBondContact O-N 2.93Å; C558-A561 PolarHBondContact O-N 2.95Å; L559-A561 VanDerWaalsContact C-N 3.31Å; L559-A561 PolarHBondContact O-N 2.85Å; A561-V649 HydrophobicContact CB-CG1 4.19Å; A561-V649 HydrophobicContact CB-CG2 4.34Å; A561-Y653 HydrophobicContact CB-CE2 3.95Å |
| 562 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -47 | 174.6 | -71.8 | 168.5 | 0 | 0 | 0 | 111.4 | F545 F551 C558 L559 V564 E565 F566 I641 L646 V649 F656 | F545-L562 HydrophobicContact CE1-CB 4.25Å; F545-L562 HydrophobicContact CE1-CD1 4.44Å; F545-L562 HydrophobicContact CZ-CB 4.17Å; F551-L562 HydrophobicContact CD1-CD1 3.87Å; F551-L562 HydrophobicContact CE1-CD1 3.75Å; C558-L562 WeakPolarHBondContact O-CG 3.43Å; C558-L562 PolarHBondContact O-N 3.11Å; L559-L562 PolarHBondContact O-N 2.97Å; L562-V564 VanDerWaalsContact C-N 3.29Å; L562-V564 PolarHBondContact O-N 3.46Å; L562-E565 PolarHBondContact O-N 2.98Å; L562-F566 HydrophobicContact CB-CD2 4.29Å; L562-F566 HydrophobicContact CB-CE2 4.23Å; L562-F566 WeakPolarHBondContact O-CD2 3.34Å; L562-F566 PolarHBondContact O-N 3.17Å; L562-F566 VanDerWaalsContact O-N 3.1Å; L562-I641 HydrophobicContact CD2-CD1 3.86Å; L562-L646 HydrophobicContact CD2-CD1 4.01Å; L562-V649 HydrophobicContact CD2-CB 4.17Å; L562-V649 HydrophobicContact CD2-CG1 3.75Å; L562-V649 HydrophobicContact CG-CG1 3.92Å; L562-F656 HydrophobicContact CD1-CE1 4.18Å; L562-F656 HydrophobicContact CD1-CZ 4.46Å |
| 563 | A | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -32.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | C537 V538 N541 F545 L559 E565 | C537-A563 HydrophobicContact CB-CB 3.79Å; C537-A563 WeakPolarHBondContact CB-O 3.37Å; V538-A563 HydrophobicContact CB-CB 4.36Å; V538-A563 HydrophobicContact CG2-CB 3.57Å; N541-A563 PolarHBondContact ND2-O 3.01Å; F545-A563 HydrophobicContact CE2-CB 3.76Å; F545-A563 HydrophobicContact CZ-CB 3.88Å; L559-A563 WeakPolarHBondContact O-CB 3.26Å; L559-A563 PolarHBondContact O-N 3.18Å; A563-E565 VanDerWaalsContact C-N 3.28Å |
| 564 | V | 93.1 | Very high | 92.3 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 29% | 0.291 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.4 | -23.3 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 112.1 | A534 C537 R560 L562 | A534-V564 HydrophobicContact CB-CG2 4Å; C537-V564 HydrophobicContact CB-CG2 4.34Å; R560-V564 WeakPolarHBondContact O-CG2 3.2Å; R560-V564 PolarHBondContact O-N 2.93Å; L562-V564 VanDerWaalsContact C-N 3.29Å; L562-V564 PolarHBondContact O-N 3.46Å |
| 565 | E | 94.1 | Very high | 92 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -96.5 | -10 | 178.3 | -58.3 | -67.1 | 146.8 | 0 | 0 | 113.1 | L562 A563 I641 A645 | L562-E565 PolarHBondContact O-N 2.98Å; A563-E565 VanDerWaalsContact C-N 3.28Å; E565-I641 HydrophobicContact CB-CD1 4.28Å; E565-I641 HydrophobicContact CB-CG1 4.42Å; E565-A645 HydrophobicContact CB-CB 3.77Å; E565-A645 HydrophobicContact CG-CB 3.9Å; E565-A645 VanDerWaalsContact OE2-CB 3.26Å; E565-A645 WeakPolarHBondContact OE2-CB 3.24Å |
| 566 | F | 93.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 135.2 | 173.3 | -97.7 | -76.8 | 0 | 0 | 0 | 111.3 | N541 V544 F545 F551 L562 F589 H639 I640 I641 | N541-F566 WeakPolarHBondContact ND2-CB 3.49Å; N541-F566 VanDerWaalsContact OD1-CB 3.3Å; N541-F566 WeakPolarHBondContact OD1-CB 3.27Å; V544-F566 HydrophobicContact CG1-CE1 4.42Å; V544-F566 HydrophobicContact CG1-CZ 4.13Å; F545-F566 HydrophobicContact CE1-CD2 4.19Å; F545-F566 AromaticContact CE1-CE2 3.79Å; F545-F566 HydrophobicContact CE1-CE2 3.79Å; F545-F566 HydrophobicContact CZ-CD2 4.03Å; F545-F566 HydrophobicContact CZ-CE2 4.12Å; F551-F566 HydrophobicContact CZ-CE2 4.46Å; F551-F566 HydrophobicContact CZ-CZ 4.17Å; L562-F566 HydrophobicContact CB-CD2 4.29Å; L562-F566 HydrophobicContact CB-CE2 4.23Å; L562-F566 WeakPolarHBondContact O-CD2 3.34Å; L562-F566 PolarHBondContact O-N 3.17Å; L562-F566 VanDerWaalsContact O-N 3.1Å; F566-F589 AromaticContact CE1-CD2 3.66Å; F566-F589 HydrophobicContact CE1-CD2 3.66Å; F566-F589 AromaticContact CE1-CE2 3.74Å; F566-F589 HydrophobicContact CE1-CE2 3.74Å; F566-F589 HydrophobicContact CZ-CD2 4Å; F566-F589 AromaticContact CZ-CE2 3.66Å; F566-F589 HydrophobicContact CZ-CE2 3.66Å; F566-F589 HydrophobicContact CZ-CZ 4.33Å; F566-H639 HydrophobicContact CD1-CB 4.18Å; F566-H639 HydrophobicContact CE1-CB 4.36Å; F566-I640 WeakPolarHBondContact CA-O 3.24Å; F566-I640 VanDerWaalsContact CD1-O 3.29Å; F566-I640 WeakPolarHBondContact CD1-O 3.38Å; F566-I641 HydrophobicContact CD1-CB 3.98Å; F566-I641 HydrophobicContact CD2-CB 4.46Å; F566-I641 HydrophobicContact CD2-CD1 4.1Å; F566-I641 HydrophobicContact CE1-CB 3.87Å; F566-I641 HydrophobicContact CE1-CG2 4.02Å; F566-I641 HydrophobicContact CE2-CB 4.36Å; F566-I641 HydrophobicContact CE2-CD1 4.02Å; F566-I641 HydrophobicContact CG-CB 4.28Å; F566-I641 HydrophobicContact CZ-CB 4.06Å; F566-I641 HydrophobicContact CZ-CD1 4.49Å; F566-I641 HydrophobicContact CZ-CG2 3.97Å |
| 567 | Q | 91.7 | Very high | 91.9 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.9 | 177.3 | -53.8 | -174.4 | -47.8 | 0 | 0 | 109.5 | I640 | Q567-I640 HydrophobicContact CB-CG1 3.92Å; Q567-I640 PolarHBondContact N-O 2.96Å; Q567-I640 PolarHBondContact O-N 3.03Å |
| 568 | T | 89.7 | Confident | 92 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.5 | 171.3 | -58 | 0 | 0 | 0 | 0 | 109.6 | L638 H639 | T568-L638 CarbonylContact C-O 3.56Å; T568-L638 WeakPolarHBondContact CA-O 3.46Å; T568-H639 PolarHBondContact OG1-CE1 3.06Å; T568-H639 PolarHBondContact OG1-NE2 3.45Å |
| 569 | I | 89.1 | Confident | 91.9 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 36% | 0.359 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.4 | 173.8 | -64.4 | -178.7 | 0 | 0 | 0 | 108 | L638 I640 | I569-L638 PolarHBondContact N-O 3.3Å; I569-L638 PolarHBondContact O-N 3.27Å; I569-I640 HydrophobicContact CD1-CD1 3.54Å; I569-I640 HydrophobicContact CD1-CG1 3.97Å; I569-I640 HydrophobicContact CD1-CG2 4.21Å; I569-I640 HydrophobicContact CG1-CD1 4.44Å; I569-I640 HydrophobicContact CG1-CG1 4.41Å |
| 570 | H | 88.1 | Confident | 91.9 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 39% | 0.394 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.6 | 171.4 | -55.5 | -76.1 | 0 | 0 | 0 | 108.9 | C636 D637 | H570-C636 WeakPolarHBondContact CA-O 3.39Å; H570-D637 IonicContact CE1-OD1 3.4Å; H570-D637 PolarHBondContact CE1-OD1 2.84Å; H570-D637 IonicContact ND1-OD1 2.64Å; H570-D637 PolarHBondContact ND1-OD1 2.89Å |
| 571 | C | 88.6 | Confident | 91.6 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 10% | 0.095 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.7 | 177.4 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | D575 I577 A632 Y635 C636 | C571-D575 HydrophobicContact CB-CB 4.24Å; C571-I577 HydrophobicContact CB-CD1 4.41Å; C571-A632 HydrophobicContact CB-CB 4.09Å; C571-Y635 VanDerWaalsContact O-CA 3.3Å; C571-Y635 WeakPolarHBondContact O-CA 3.22Å; C571-C636 HydrophobicContact CB-CB 4.4Å; C571-C636 PolarHBondContact N-O 3.31Å; C571-C636 PolarHBondContact O-N 3.29Å |
| 572 | A | 88.3 | Confident | 91.6 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | trans | -90.4 | 160.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G574 D575 A632 Y635 | A572-G574 PolarHBondContact O-N 3.12Å; A572-D575 WeakPolarHBondContact CB-OD2 3.4Å; A572-D575 PolarHBondContact N-OD2 3.49Å; A572-D575 VanDerWaalsContact O-CB 3.29Å; A572-D575 WeakPolarHBondContact O-CB 3.39Å; A572-D575 PolarHBondContact O-N 3.34Å; A572-A632 WeakPolarHBondContact O-CB 3.45Å; A572-Y635 HydrophobicContact CB-CD1 4.24Å; A572-Y635 HydrophobicContact CB-CE1 3.87Å | ||
| 573 | P | 89.4 | Confident | 91.5 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 42% | 0.422 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 129.6 | 173.4 | -24.9 | 32.8 | 0 | 0 | 0 | 112.2 | D575 Y635 | P573-D575 VanDerWaalsContact C-N 3.32Å; P573-Y635 HydrophobicContact CG-CD2 4.08Å; P573-Y635 HydrophobicContact CG-CE2 3.98Å; P573-Y635 HydrophobicContact CG-CG 4.46Å |
| 574 | G | 87.1 | Confident | 91.4 | Very high | 36 Ų | 36 | 50.6 Ų | 50.6 | 37% | 0.371 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -6.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A572 A632 | A572-G574 PolarHBondContact O-N 3.12Å; G574-A632 PolarHBondContact N-O 2.75Å |
| 575 | D | 88.6 | Confident | 91.4 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 10% | 0.096 | 30% | 0.298 | C | S | . | . | trans | -65.4 | 141.4 | 174 | -80.4 | -27.4 | 0 | 0 | 0 | 111.9 | R504 C571 A572 P573 I577 R631 A632 | R504-D575 IonicContact CZ-OD1 3.24Å; R504-D575 IonicContact NE-OD1 2.8Å; R504-D575 PolarHBondContact NE-OD1 3.45Å; R504-D575 IonicContact NH2-OD1 2.82Å; R504-D575 PolarHBondContact NH2-OD1 3.03Å; C571-D575 HydrophobicContact CB-CB 4.24Å; A572-D575 WeakPolarHBondContact CB-OD2 3.4Å; A572-D575 PolarHBondContact N-OD2 3.49Å; A572-D575 VanDerWaalsContact O-CB 3.29Å; A572-D575 WeakPolarHBondContact O-CB 3.39Å; A572-D575 PolarHBondContact O-N 3.34Å; P573-D575 VanDerWaalsContact C-N 3.32Å; D575-I577 WeakPolarHBondContact O-CD1 3.36Å; D575-R631 CarbonylContact O-C 3.49Å; D575-R631 VanDerWaalsContact O-CA 3.26Å; D575-R631 WeakPolarHBondContact O-CA 3.48Å; D575-R631 WeakPolarHBondContact O-CG 3.44Å; D575-A632 PolarHBondContact O-N 3.13Å | ||
| 576 | L | 91.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 47 Ų | 47 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.4 | 172.9 | -74.3 | 160.4 | 0 | 0 | 0 | 109.1 | N629 V630 R631 | L576-N629 HydrophobicContact CD2-CB 3.95Å; L576-V630 CarbonylContact C-O 3.54Å; L576-V630 WeakPolarHBondContact CA-O 3.48Å; L576-R631 HydrophobicContact CD2-CB 3.8Å; L576-R631 HydrophobicContact CD2-CG 4.25Å |
| 577 | I | 93.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -38 | -177.6 | -62.8 | 67 | 0 | 0 | 0 | 110.3 | C571 D575 L595 F613 V630 A632 L638 | C571-I577 HydrophobicContact CB-CD1 4.41Å; D575-I577 WeakPolarHBondContact O-CD1 3.36Å; I577-L595 HydrophobicContact CD1-CD2 3.73Å; I577-L595 HydrophobicContact CG1-CD2 4.03Å; I577-F613 HydrophobicContact CG2-CE2 4.31Å; I577-F613 HydrophobicContact CG2-CZ 4.26Å; I577-V630 HydrophobicContact CB-CB 4.47Å; I577-V630 HydrophobicContact CB-CG1 4.49Å; I577-V630 PolarHBondContact N-O 2.97Å; I577-A632 HydrophobicContact CD1-CB 4.08Å; I577-L638 HydrophobicContact CG1-CD1 3.77Å; I577-L638 HydrophobicContact CG2-CD1 4.09Å |
| 578 | Y | 94.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 42 Ų | 42 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.7 | 173.6 | -83.1 | -60.2 | 0 | 0 | 0 | 109.6 | E582 A586 F613 N629 V630 L670 | Y578-E582 WeakPolarHBondContact CA-OE2 3.37Å; Y578-E582 HydrophobicContact CD1-CG 4.3Å; Y578-A586 PolarHBondContact OH-N 3.09Å; Y578-F613 HydrophobicContact CD2-CE2 4.12Å; Y578-F613 HydrophobicContact CE2-CE2 4.39Å; Y578-N629 CarbonylContact O-C 3.55Å; Y578-N629 VanDerWaalsContact O-CA 3.31Å; Y578-N629 WeakPolarHBondContact O-CA 3.35Å; Y578-V630 PolarHBondContact O-N 3.25Å; Y578-L670 HydrophobicContact CD2-CD1 3.55Å; Y578-L670 HydrophobicContact CE2-CD1 4.13Å; Y578-L670 HydrophobicContact CG-CD1 4.1Å |
| 579 | H | 94.4 | Very high | 92 | Very high | 94 Ų | 94 | 39 Ų | 39 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | trans | -101.6 | 144.9 | 173.3 | -69.4 | -86.9 | 0 | 0 | 0 | 111.8 | G581 E582 N629 | H579-G581 PolarHBondContact O-N 3Å; H579-E582 HydrophobicContact CB-CB 4.34Å; H579-E582 IonicContact CD2-OE2 3.88Å; H579-E582 PolarHBondContact N-OE2 3.33Å; H579-E582 WeakPolarHBondContact O-CB 3.49Å; H579-E582 PolarHBondContact O-N 3.46Å; H579-N629 WeakPolarHBondContact CA-OD1 3.29Å | ||
| 580 | A | 93.7 | Very high | 92.4 | Very high | 59 Ų | 59 | 35.7 Ų | 35.7 | 49% | 0.488 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 122.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A626 N629 | A580-A626 CarbonylContact C-O 3.58Å; A580-A626 WeakPolarHBondContact CA-O 3.37Å; A580-N629 PolarHBondContact N-OD1 2.95Å |
| 581 | G | 90.8 | Very high | 92.6 | Very high | 45 Ų | 45 | 31.8 Ų | 31.8 | 46% | 0.464 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | -15.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115 | H579 H625 A626 | H579-G581 PolarHBondContact O-N 3Å; G581-H625 PolarHBondContact O-ND1 3.38Å; G581-A626 PolarHBondContact N-O 3.25Å |
| 582 | E | 93.6 | Very high | 92.8 | Very high | 81 Ų | 81 | 33.4 Ų | 33.4 | 38% | 0.379 | 21% | 0.213 | S | C | . | . | trans | -70.1 | 152.8 | 179.1 | -170.8 | 166.7 | -156.2 | 0 | 0 | 112.5 | Y578 H579 V584 H625 A626 | Y578-E582 WeakPolarHBondContact CA-OE2 3.37Å; Y578-E582 HydrophobicContact CD1-CG 4.3Å; H579-E582 HydrophobicContact CB-CB 4.34Å; H579-E582 IonicContact CD2-OE2 3.88Å; H579-E582 PolarHBondContact N-OE2 3.33Å; H579-E582 WeakPolarHBondContact O-CB 3.49Å; H579-E582 PolarHBondContact O-N 3.46Å; E582-V584 PolarHBondContact O-N 3.5Å; E582-H625 CarbonylContact O-C 3.58Å; E582-H625 VanDerWaalsContact O-CA 3.28Å; E582-H625 WeakPolarHBondContact O-CA 3.46Å; E582-A626 PolarHBondContact O-N 3.2Å | ||
| 583 | S | 93.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 33.7 Ų | 33.7 | 43% | 0.434 | 22% | 0.218 | S | C | . | . | B | Isolated β-bridge | trans | -73.9 | 120.4 | 177 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | D585 | S583-D585 PolarHBondContact O-N 2.89Å; S583-D585 VanDerWaalsContact O-N 3.07Å |
| 584 | V | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -78.2 | 95.1 | 173 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | E582 D615 F617 A624 A626 L670 | E582-V584 PolarHBondContact O-N 3.5Å; V584-D615 HydrophobicContact CB-CB 4.43Å; V584-D615 HydrophobicContact CG1-CB 3.81Å; V584-F617 HydrophobicContact CG1-CE1 4.41Å; V584-F617 HydrophobicContact CG1-CZ 4.37Å; V584-F617 WeakPolarHBondContact O-CE1 3.46Å; V584-A624 PolarHBondContact N-O 2.91Å; V584-A626 HydrophobicContact CG2-CB 3.76Å; V584-L670 HydrophobicContact CG2-CB 3.86Å; V584-L670 HydrophobicContact CG2-CD1 4.2Å | ||
| 585 | D | 92.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | trans | -109.1 | -8.3 | -176.5 | 81.5 | -43.2 | 0 | 0 | 0 | 113.9 | S583 L623 R643 | S583-D585 PolarHBondContact O-N 2.89Å; S583-D585 VanDerWaalsContact O-N 3.07Å; D585-L623 HydrophobicContact CB-CD2 4.42Å; D585-R643 WeakPolarHBondContact O-CA 3.44Å; D585-R643 WeakPolarHBondContact O-CB 3.48Å; D585-R643 PolarHBondContact O-N 2.98Å | ||
| 586 | A | 94.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 158.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y578 F617 I640 I641 | Y578-A586 PolarHBondContact OH-N 3.09Å; A586-F617 WeakPolarHBondContact O-CZ 3.26Å; A586-I640 HydrophobicContact CB-CD1 4.34Å; A586-I641 WeakPolarHBondContact CA-O 3.47Å |
| 587 | L | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.2 | 175.2 | 175.5 | 68.9 | 0 | 0 | 0 | 108.1 | F589 V612 F617 W618 I640 I641 L646 F660 L664 L666 | L587-F589 HydrophobicContact CD2-CE2 3.65Å; L587-F589 HydrophobicContact CD2-CZ 3.57Å; L587-F589 HydrophobicContact CG-CD2 4.48Å; L587-F589 HydrophobicContact CG-CE2 3.7Å; L587-F589 HydrophobicContact CG-CZ 3.98Å; L587-V612 HydrophobicContact CD1-CG1 3.71Å; L587-V612 HydrophobicContact CG-CG1 4.23Å; L587-F617 HydrophobicContact CB-CE2 3.96Å; L587-W618 HydrophobicContact CD2-CZ3 4.43Å; L587-I640 WeakPolarHBondContact O-CA 3.17Å; L587-I641 HydrophobicContact CB-CG2 4.05Å; L587-I641 HydrophobicContact CD2-CG2 4.3Å; L587-I641 PolarHBondContact N-O 3.37Å; L587-I641 PolarHBondContact O-N 3.42Å; L587-L646 HydrophobicContact CD2-CD2 3.76Å; L587-F660 HydrophobicContact CD2-CZ 4.28Å; L587-L664 HydrophobicContact CD2-CD2 3.88Å; L587-L666 HydrophobicContact CD1-CD2 3.52Å |
| 588 | C | 96 | Very high | 94.7 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.8 | -169.4 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | V612 F613 I640 | C588-V612 WeakPolarHBondContact O-CA 3.5Å; C588-V612 WeakPolarHBondContact O-CG1 3.38Å; C588-F613 HydrophobicContact CB-CD1 3.8Å; C588-F613 HydrophobicContact CB-CD2 4.09Å; C588-F613 HydrophobicContact CB-CE1 3.4Å; C588-F613 VanDerWaalsContact CB-CE1 3.4Å; C588-F613 HydrophobicContact CB-CE2 3.72Å; C588-F613 HydrophobicContact CB-CG 4.15Å; C588-F613 HydrophobicContact CB-CZ 3.37Å; C588-F613 PolarHBondContact N-O 2.88Å; C588-F613 PolarHBondContact O-N 3.39Å; C588-I640 HydrophobicContact CB-CG2 4.25Å; C588-I640 VanDerWaalsContact SG-CG2 3.56Å |
| 589 | F | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.9 | 176.4 | -60.3 | -99.1 | 0 | 0 | 0 | 108.9 | V544 H548 F551 F566 L587 V591 V612 H639 I641 L664 | V544-F589 HydrophobicContact CG1-CB 4.32Å; V544-F589 HydrophobicContact CG1-CD1 3.93Å; V544-F589 HydrophobicContact CG1-CD2 4.4Å; V544-F589 HydrophobicContact CG1-CE1 4.34Å; V544-F589 HydrophobicContact CG1-CG 3.97Å; V544-F589 HydrophobicContact CG2-CB 4.19Å; H548-F589 AromaticContact CD2-CD1 3.69Å; H548-F589 AromaticContact CE1-CD1 3.85Å; H548-F589 AromaticContact NE2-CD1 3.49Å; H548-F589 WeakPolarHBondContact NE2-CD1 3.19Å; F551-F589 HydrophobicContact CE2-CD1 4.42Å; F551-F589 AromaticContact CE2-CE1 3.68Å; F551-F589 HydrophobicContact CE2-CE1 3.68Å; F551-F589 AromaticContact CE2-CZ 3.9Å; F551-F589 HydrophobicContact CE2-CZ 3.9Å; F551-F589 AromaticContact CZ-CE1 3.98Å; F551-F589 HydrophobicContact CZ-CE1 3.98Å; F551-F589 HydrophobicContact CZ-CE2 4.47Å; F551-F589 AromaticContact CZ-CZ 3.69Å; F551-F589 HydrophobicContact CZ-CZ 3.69Å; F566-F589 AromaticContact CE1-CD2 3.66Å; F566-F589 HydrophobicContact CE1-CD2 3.66Å; F566-F589 AromaticContact CE1-CE2 3.74Å; F566-F589 HydrophobicContact CE1-CE2 3.74Å; F566-F589 HydrophobicContact CZ-CD2 4Å; F566-F589 AromaticContact CZ-CE2 3.66Å; F566-F589 HydrophobicContact CZ-CE2 3.66Å; F566-F589 HydrophobicContact CZ-CZ 4.33Å; L587-F589 HydrophobicContact CD2-CE2 3.65Å; L587-F589 HydrophobicContact CD2-CZ 3.57Å; L587-F589 HydrophobicContact CG-CD2 4.48Å; L587-F589 HydrophobicContact CG-CE2 3.7Å; L587-F589 HydrophobicContact CG-CZ 3.98Å; F589-V591 PolarHBondContact O-N 2.9Å; F589-V612 HydrophobicContact CD1-CB 4.28Å; F589-V612 HydrophobicContact CD1-CG1 3.77Å; F589-V612 HydrophobicContact CD1-CG2 3.52Å; F589-V612 HydrophobicContact CE1-CB 4.47Å; F589-V612 HydrophobicContact CE1-CG1 3.73Å; F589-V612 HydrophobicContact CE1-CG2 3.83Å; F589-V612 HydrophobicContact CG-CG1 4.21Å; F589-V612 HydrophobicContact CG-CG2 4.44Å; F589-V612 HydrophobicContact CZ-CG1 4.15Å; F589-H639 HydrophobicContact CB-CB 4.47Å; F589-H639 WeakPolarHBondContact CD2-O 3.27Å; F589-H639 PolarHBondContact N-O 3.44Å; F589-H639 PolarHBondContact O-N 3.34Å; F589-I641 HydrophobicContact CE2-CG2 4.18Å; F589-L664 HydrophobicContact CE1-CD1 4.16Å; F589-L664 HydrophobicContact CZ-CD2 4.35Å |
| 590 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 108.6 | -177.6 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | L595 L607 G608 G610 D611 F613 L638 | V590-L595 HydrophobicContact CB-CD1 4.43Å; V590-L595 HydrophobicContact CG1-CD1 3.67Å; V590-L595 HydrophobicContact CG2-CD1 3.81Å; V590-L607 HydrophobicContact CG2-CB 4.32Å; V590-G608 VanDerWaalsContact CB-O 3.26Å; V590-G608 WeakPolarHBondContact CB-O 3.46Å; V590-G608 WeakPolarHBondContact CG1-O 3.26Å; V590-G610 PolarHBondContact O-N 3.45Å; V590-D611 HydrophobicContact CG2-CB 4.4Å; V590-D611 PolarHBondContact N-O 2.85Å; V590-F613 HydrophobicContact CG2-CD1 3.89Å; V590-F613 HydrophobicContact CG2-CE1 3.69Å; V590-L638 HydrophobicContact CB-CD2 4.32Å; V590-L638 HydrophobicContact CG1-CD2 4.38Å; V590-L638 HydrophobicContact CG2-CD2 3.94Å |
| 591 | V | 93.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -22.1 | -169.2 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | K543 V544 F589 D637 H639 | K543-V591 HydrophobicContact CB-CG1 3.72Å; K543-V591 HydrophobicContact CD-CG1 3.17Å; K543-V591 HydrophobicContact CG-CG1 4.11Å; V544-V591 HydrophobicContact CG2-CG2 3.57Å; F589-V591 PolarHBondContact O-N 2.9Å; V591-D637 HydrophobicContact CB-CB 4.37Å; V591-D637 WeakPolarHBondContact CB-O 3.34Å; V591-D637 PolarHBondContact N-O 3.31Å; V591-H639 HydrophobicContact CG2-CB 4.04Å; V591-H639 VanDerWaalsContact CG2-CD2 3.48Å; V591-H639 WeakPolarHBondContact CG2-CD2 3.44Å |
| 592 | S | 93.1 | Very high | 94.6 | Very high | 47 Ų | 47 | 31.5 Ų | 31.5 | 33% | 0.329 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 155.5 | 170 | -161.9 | 0 | 0 | 0 | 0 | 110.3 | C636 D637 | S592-C636 WeakPolarHBondContact O-CA 3.28Å; S592-D637 VanDerWaalsContact CB-OD2 3.23Å; S592-D637 WeakPolarHBondContact CB-OD2 3.37Å; S592-D637 PolarHBondContact N-O 3.3Å; S592-D637 PolarHBondContact O-N 3.01Å |
| 593 | G | 93.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 24% | 0.237 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 84 | -167.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T634 Y635 | G593-T634 WeakPolarHBondContact CA-OG1 3.38Å; G593-Y635 WeakPolarHBondContact CA-O 3.46Å |
| 594 | S | 96.4 | Very high | 94.8 | Very high | 32 Ų | 32 | 31 Ų | 31 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | trans | -140 | 147.8 | 175.7 | 59 | 0 | 0 | 0 | 0 | 113 | L607 L633 T634 C636 | S594-L607 CarbonylContact C-O 3.59Å; S594-L607 VanDerWaalsContact CA-O 3.29Å; S594-L607 WeakPolarHBondContact CA-O 3.38Å; S594-L633 WeakPolarHBondContact O-CB 3.36Å; S594-L633 PolarHBondContact O-N 3.4Å; S594-T634 PolarHBondContact N-OG1 3.48Å; S594-T634 PolarHBondContact O-N 2.86Å; S594-C636 PolarHBondContact N-SG 3.03Å; S594-C636 VanDerWaalsContact N-SG 3.42Å; S594-C636 PolarHBondContact O-SG 3.42Å | ||
| 595 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 158.2 | -178.9 | -57.3 | 90.1 | 0 | 0 | 0 | 110.2 | I577 V590 I606 L607 F613 V630 R631 C636 L638 | I577-L595 HydrophobicContact CD1-CD2 3.73Å; I577-L595 HydrophobicContact CG1-CD2 4.03Å; V590-L595 HydrophobicContact CB-CD1 4.43Å; V590-L595 HydrophobicContact CG1-CD1 3.67Å; V590-L595 HydrophobicContact CG2-CD1 3.81Å; L595-I606 CarbonylContact O-C 3.47Å; L595-I606 VanDerWaalsContact O-CA 3.32Å; L595-I606 WeakPolarHBondContact O-CA 3.48Å; L595-I606 WeakPolarHBondContact O-CG2 3.19Å; L595-L607 HydrophobicContact CB-CB 4.34Å; L595-L607 PolarHBondContact N-O 3.39Å; L595-L607 PolarHBondContact O-N 3.31Å; L595-F613 HydrophobicContact CD2-CE1 4.47Å; L595-F613 HydrophobicContact CD2-CZ 4.25Å; L595-V630 HydrophobicContact CB-CG1 4.4Å; L595-V630 HydrophobicContact CD2-CG1 3.97Å; L595-R631 CarbonylContact C-O 3.56Å; L595-R631 WeakPolarHBondContact CA-O 3.26Å; L595-R631 WeakPolarHBondContact CB-O 3.33Å; L595-C636 HydrophobicContact CD1-CB 4.29Å; L595-L638 HydrophobicContact CD1-CD2 4.04Å; L595-L638 HydrophobicContact CD2-CD1 4.22Å; L595-L638 HydrophobicContact CD2-CD2 4.28Å |
| 596 | E | 96.9 | Very high | 95 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 9% | 0.089 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147 | 172.8 | 62.6 | -175.4 | 155.7 | 0 | 0 | 110.8 | I598 V603 A605 V630 R631 L633 | E596-I598 HydrophobicContact CG-CD1 4.07Å; E596-I598 HydrophobicContact CG-CG1 4.15Å; E596-V603 HydrophobicContact CB-CG1 4.15Å; E596-V603 WeakPolarHBondContact OE2-CG2 3.33Å; E596-A605 WeakPolarHBondContact CA-O 3.35Å; E596-V630 WeakPolarHBondContact O-CA 3.39Å; E596-R631 HydrophobicContact CG-CB 3.95Å; E596-R631 PolarHBondContact N-O 2.97Å; E596-R631 PolarHBondContact O-N 3.4Å; E596-R631 IonicContact OE1-CZ 2.68Å; E596-R631 IonicContact OE1-NE 3.67Å; E596-R631 PolarHBondContact OE1-NE 3.26Å; E596-R631 IonicContact OE1-NH2 2.71Å; E596-R631 PolarHBondContact OE1-NH2 3.34Å; E596-R631 IonicContact OE2-NH2 3.15Å; E596-L633 HydrophobicContact CB-CD1 4.27Å; E596-L633 HydrophobicContact CB-CD2 4.45Å; E596-L633 HydrophobicContact CB-CG 4.31Å; E596-L633 HydrophobicContact CG-CD2 4.05Å; E596-L633 HydrophobicContact CG-CG 4.21Å; E596-L633 WeakPolarHBondContact OE1-CD2 3.22Å |
| 597 | V | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.2 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | V604 A605 L607 A628 N629 V630 L670 | V597-V604 PolarHBondContact O-N 2.98Å; V597-A605 HydrophobicContact CB-CB 4.15Å; V597-A605 HydrophobicContact CG2-CB 4.16Å; V597-A605 PolarHBondContact N-O 3.45Å; V597-L607 HydrophobicContact CG2-CD1 3.85Å; V597-L607 HydrophobicContact CG2-CG 4.13Å; V597-A628 HydrophobicContact CG1-CB 3.56Å; V597-N629 CarbonylContact C-O 3.57Å; V597-N629 WeakPolarHBondContact CA-O 3.44Å; V597-V630 HydrophobicContact CG1-CG2 4.46Å; V597-V630 HydrophobicContact CG2-CG2 4.31Å; V597-L670 HydrophobicContact CG1-CD2 4.31Å |
| 598 | I | 96 | Very high | 95.2 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.3 | -170.4 | -56.4 | 166.4 | 0 | 0 | 0 | 110 | E596 E602 V603 A628 N629 R631 | E596-I598 HydrophobicContact CG-CD1 4.07Å; E596-I598 HydrophobicContact CG-CG1 4.15Å; I598-E602 CarbonylContact C-O 3.58Å; I598-E602 VanDerWaalsContact CA-O 3.29Å; I598-E602 WeakPolarHBondContact CA-O 3.38Å; I598-V603 HydrophobicContact CG1-CG2 4.22Å; I598-A628 CarbonylContact O-C 3.56Å; I598-A628 WeakPolarHBondContact O-CA 3.44Å; I598-A628 WeakPolarHBondContact O-CB 3.4Å; I598-N629 HydrophobicContact CB-CB 4.35Å; I598-N629 PolarHBondContact N-O 3.45Å; I598-N629 PolarHBondContact O-N 3.21Å; I598-R631 HydrophobicContact CD1-CB 4.38Å |
| 599 | Q | 94.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.9 | 177.7 | -179 | 161.7 | 85.3 | 0 | 0 | 109.2 | D601 E602 V604 C627 A628 I674 F676 | Q599-D601 PolarHBondContact O-N 3.46Å; Q599-D601 VanDerWaalsContact O-N 3.13Å; Q599-E602 PolarHBondContact N-O 3.39Å; Q599-E602 PolarHBondContact O-N 3.33Å; Q599-V604 HydrophobicContact CB-CG2 3.73Å; Q599-C627 PolarHBondContact NE2-O 3.03Å; Q599-A628 HydrophobicContact CB-CB 4.02Å; Q599-I674 PolarHBondContact OE1-O 3.48Å; Q599-F676 HydrophobicContact CB-CE1 4.43Å; Q599-F676 HydrophobicContact CG-CE1 4.18Å; Q599-F676 WeakPolarHBondContact O-CZ 3.45Å |
| 600 | D | 92.3 | Very high | 94.9 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 41.4 | -178.2 | -48.6 | -32.8 | 0 | 0 | 0 | 112.9 | E602 R673 F676 K678 | D600-E602 VanDerWaalsContact C-N 3.27Å; D600-E602 PolarHBondContact O-N 2.92Å; D600-R673 IonicContact OD1-CZ 3.46Å; D600-R673 IonicContact OD1-NH1 3.74Å; D600-R673 IonicContact OD1-NH2 3.55Å; D600-R673 PolarHBondContact OD1-NH2 2.9Å; D600-R673 IonicContact OD2-CZ 2.72Å; D600-R673 IonicContact OD2-NH2 2.68Å; D600-R673 PolarHBondContact OD2-NH2 3.36Å; D600-F676 HydrophobicContact CB-CZ 4.07Å; D600-K678 WeakPolarHBondContact O-CE 3.47Å; D600-K678 PolarHBondContact O-NZ 2.83Å |
| 601 | D | 91.4 | Very high | 94.9 | Very high | 139 Ų | 139 | 44.5 Ų | 44.5 | 74% | 0.743 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 14.4 | -175.6 | -52.2 | -43 | 0 | 0 | 0 | 117 | Q599 | Q599-D601 PolarHBondContact O-N 3.46Å; Q599-D601 VanDerWaalsContact O-N 3.13Å |
| 602 | E | 93.6 | Very high | 95 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.2 | 170.4 | -59.2 | -58.8 | 144.6 | 0 | 0 | 111.7 | I598 Q599 D600 V604 F676 K678 | I598-E602 CarbonylContact C-O 3.58Å; I598-E602 VanDerWaalsContact CA-O 3.29Å; I598-E602 WeakPolarHBondContact CA-O 3.38Å; Q599-E602 PolarHBondContact N-O 3.39Å; Q599-E602 PolarHBondContact O-N 3.33Å; D600-E602 VanDerWaalsContact C-N 3.27Å; D600-E602 PolarHBondContact O-N 2.92Å; E602-V604 PolarHBondContact O-N 3.19Å; E602-F676 HydrophobicContact CB-CE2 4.03Å; E602-F676 HydrophobicContact CB-CZ 4.06Å; E602-F676 HydrophobicContact CG-CE2 3.67Å; E602-F676 HydrophobicContact CG-CZ 4.14Å; E602-K678 HydrophobicContact CG-CD 4.3Å; E602-K678 HydrophobicContact CG-CG 4.27Å; E602-K678 VanDerWaalsContact OE1-CD 3.27Å; E602-K678 WeakPolarHBondContact OE1-CD 3.41Å; E602-K678 WeakPolarHBondContact OE1-CE 3.48Å; E602-K678 IonicContact OE1-NZ 3.57Å; E602-K678 PolarHBondContact OE1-NZ 2.87Å |
| 603 | V | 95.2 | Very high | 95.1 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 47% | 0.473 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 118.4 | 171.8 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | E596 I598 I606 | E596-V603 HydrophobicContact CB-CG1 4.15Å; E596-V603 WeakPolarHBondContact OE2-CG2 3.33Å; I598-V603 HydrophobicContact CG1-CG2 4.22Å; V603-I606 HydrophobicContact CG1-CG1 4.23Å |
| 604 | V | 93.9 | Very high | 95.1 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 32% | 0.321 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -26.1 | -175.2 | -168.1 | 0 | 0 | 0 | 0 | 112.7 | V597 Q599 E602 I674 F676 | V597-V604 PolarHBondContact O-N 2.98Å; Q599-V604 HydrophobicContact CB-CG2 3.73Å; E602-V604 PolarHBondContact O-N 3.19Å; V604-I674 HydrophobicContact CG1-CB 4.29Å; V604-I674 HydrophobicContact CG1-CD1 3.48Å; V604-I674 VanDerWaalsContact CG1-CD1 3.48Å; V604-I674 HydrophobicContact CG1-CG1 4.46Å; V604-I674 HydrophobicContact CG1-CG2 4.16Å; V604-F676 HydrophobicContact CG2-CE1 4.23Å |
| 605 | A | 94.7 | Very high | 95 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 153.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | E596 V597 | E596-A605 WeakPolarHBondContact CA-O 3.35Å; V597-A605 HydrophobicContact CB-CB 4.15Å; V597-A605 HydrophobicContact CG2-CB 4.16Å; V597-A605 PolarHBondContact N-O 3.45Å |
| 606 | I | 96.8 | Very high | 94.7 | Very high | 112 Ų | 112 | 41.4 Ų | 41.4 | 57% | 0.574 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.1 | 164.7 | -61.6 | 175.2 | 0 | 0 | 0 | 106.4 | L595 V603 L633 | L595-I606 CarbonylContact O-C 3.47Å; L595-I606 VanDerWaalsContact O-CA 3.32Å; L595-I606 WeakPolarHBondContact O-CA 3.48Å; L595-I606 WeakPolarHBondContact O-CG2 3.19Å; V603-I606 HydrophobicContact CG1-CG1 4.23Å; I606-L633 HydrophobicContact CG2-CD1 4.47Å |
| 607 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.3 | -179.4 | -54.2 | 173.6 | 0 | 0 | 0 | 108.4 | V590 S594 L595 V597 D611 F613 T667 C668 | V590-L607 HydrophobicContact CG2-CB 4.32Å; S594-L607 CarbonylContact C-O 3.59Å; S594-L607 VanDerWaalsContact CA-O 3.29Å; S594-L607 WeakPolarHBondContact CA-O 3.38Å; L595-L607 HydrophobicContact CB-CB 4.34Å; L595-L607 PolarHBondContact N-O 3.39Å; L595-L607 PolarHBondContact O-N 3.31Å; V597-L607 HydrophobicContact CG2-CD1 3.85Å; V597-L607 HydrophobicContact CG2-CG 4.13Å; L607-D611 WeakPolarHBondContact CA-OD2 3.36Å; L607-D611 HydrophobicContact CB-CB 4.13Å; L607-D611 HydrophobicContact CD2-CB 4.2Å; L607-F613 HydrophobicContact CD1-CB 3.76Å; L607-F613 HydrophobicContact CD1-CD1 3.6Å; L607-F613 HydrophobicContact CD1-CD2 4.4Å; L607-F613 HydrophobicContact CD1-CE1 4.25Å; L607-F613 HydrophobicContact CD1-CG 3.68Å; L607-T667 HydrophobicContact CD2-CG2 3.75Å; L607-C668 HydrophobicContact CD2-CB 4.09Å |
| 608 | G | 95.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | trans | -112.3 | -170.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V590 G610 D611 | V590-G608 VanDerWaalsContact CB-O 3.26Å; V590-G608 WeakPolarHBondContact CB-O 3.46Å; V590-G608 WeakPolarHBondContact CG1-O 3.26Å; G608-G610 PolarHBondContact O-N 3.32Å; G608-D611 PolarHBondContact N-OD2 3.04Å; G608-D611 WeakPolarHBondContact O-CB 3.35Å; G608-D611 PolarHBondContact O-N 2.94Å; G608-D611 VanDerWaalsContact O-N 3.16Å | ||
| 609 | K | 94.8 | Very high | 93.7 | Very high | 118 Ų | 118 | 48 Ų | 48 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 127.2 | 175.6 | -178.7 | 176.5 | -175.9 | -73 | 0 | 111.2 | E547 | E547-K609 IonicContact OE1-NZ 2.87Å; E547-K609 PolarHBondContact OE1-NZ 3.4Å; E547-K609 IonicContact OE2-NZ 2.69Å; E547-K609 PolarHBondContact OE2-NZ 2.89Å |
| 610 | G | 92.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 32% | 0.32 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -0.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H548 V590 G608 | H548-G610 PolarHBondContact CE1-O 2.92Å; H548-G610 PolarHBondContact ND1-O 3.49Å; V590-G610 PolarHBondContact O-N 3.45Å; G608-G610 PolarHBondContact O-N 3.32Å |
| 611 | D | 95.8 | Very high | 92.4 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | trans | -82.1 | 155.7 | 173.8 | -78 | -47.6 | 0 | 0 | 0 | 113.3 | V590 L607 G608 T667 | V590-D611 HydrophobicContact CG2-CB 4.4Å; V590-D611 PolarHBondContact N-O 2.85Å; L607-D611 WeakPolarHBondContact CA-OD2 3.36Å; L607-D611 HydrophobicContact CB-CB 4.13Å; L607-D611 HydrophobicContact CD2-CB 4.2Å; G608-D611 PolarHBondContact N-OD2 3.04Å; G608-D611 WeakPolarHBondContact O-CB 3.35Å; G608-D611 PolarHBondContact O-N 2.94Å; G608-D611 VanDerWaalsContact O-N 3.16Å; D611-T667 HydrophobicContact CB-CG2 4.32Å; D611-T667 WeakPolarHBondContact CB-OG1 3.35Å; D611-T667 WeakPolarHBondContact OD1-CB 3.48Å; D611-T667 WeakPolarHBondContact OD1-CG2 3.37Å; D611-T667 PolarHBondContact OD1-OG1 2.8Å | ||
| 612 | V | 96.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.8 | 178.9 | -165.2 | 0 | 0 | 0 | 0 | 110.2 | H548 L587 C588 F589 L664 L666 T667 C668 | H548-V612 VanDerWaalsContact CE1-CG2 3.44Å; H548-V612 WeakPolarHBondContact CE1-CG2 3.34Å; L587-V612 HydrophobicContact CD1-CG1 3.71Å; L587-V612 HydrophobicContact CG-CG1 4.23Å; C588-V612 WeakPolarHBondContact O-CA 3.5Å; C588-V612 WeakPolarHBondContact O-CG1 3.38Å; F589-V612 HydrophobicContact CD1-CB 4.28Å; F589-V612 HydrophobicContact CD1-CG1 3.77Å; F589-V612 HydrophobicContact CD1-CG2 3.52Å; F589-V612 HydrophobicContact CE1-CB 4.47Å; F589-V612 HydrophobicContact CE1-CG1 3.73Å; F589-V612 HydrophobicContact CE1-CG2 3.83Å; F589-V612 HydrophobicContact CG-CG1 4.21Å; F589-V612 HydrophobicContact CG-CG2 4.44Å; F589-V612 HydrophobicContact CZ-CG1 4.15Å; V612-L664 HydrophobicContact CB-CD1 4.4Å; V612-L664 HydrophobicContact CG1-CD1 4.26Å; V612-L664 HydrophobicContact CG2-CD1 4.07Å; V612-L666 HydrophobicContact CB-CD2 4.26Å; V612-L666 HydrophobicContact CG1-CD2 3.77Å; V612-L666 CarbonylContact O-C 3.55Å; V612-T667 PolarHBondContact N-OG1 3.08Å; V612-T667 PolarHBondContact O-N 2.88Å; V612-C668 PolarHBondContact O-N 2.9Å |
| 613 | F | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 159.8 | -179.7 | 70.5 | -81.4 | 0 | 0 | 0 | 112.6 | I577 Y578 C588 V590 L595 L607 V630 L638 C668 L670 | I577-F613 HydrophobicContact CG2-CE2 4.31Å; I577-F613 HydrophobicContact CG2-CZ 4.26Å; Y578-F613 HydrophobicContact CD2-CE2 4.12Å; Y578-F613 HydrophobicContact CE2-CE2 4.39Å; C588-F613 HydrophobicContact CB-CD1 3.8Å; C588-F613 HydrophobicContact CB-CD2 4.09Å; C588-F613 HydrophobicContact CB-CE1 3.4Å; C588-F613 VanDerWaalsContact CB-CE1 3.4Å; C588-F613 HydrophobicContact CB-CE2 3.72Å; C588-F613 HydrophobicContact CB-CG 4.15Å; C588-F613 HydrophobicContact CB-CZ 3.37Å; C588-F613 PolarHBondContact N-O 2.88Å; C588-F613 PolarHBondContact O-N 3.39Å; V590-F613 HydrophobicContact CG2-CD1 3.89Å; V590-F613 HydrophobicContact CG2-CE1 3.69Å; L595-F613 HydrophobicContact CD2-CE1 4.47Å; L595-F613 HydrophobicContact CD2-CZ 4.25Å; L607-F613 HydrophobicContact CD1-CB 3.76Å; L607-F613 HydrophobicContact CD1-CD1 3.6Å; L607-F613 HydrophobicContact CD1-CD2 4.4Å; L607-F613 HydrophobicContact CD1-CE1 4.25Å; L607-F613 HydrophobicContact CD1-CG 3.68Å; F613-V630 HydrophobicContact CD2-CG1 4.42Å; F613-V630 HydrophobicContact CD2-CG2 4.38Å; F613-V630 HydrophobicContact CE2-CB 4.46Å; F613-V630 HydrophobicContact CE2-CG1 3.9Å; F613-V630 HydrophobicContact CE2-CG2 4.34Å; F613-V630 HydrophobicContact CZ-CG1 4.21Å; F613-L638 HydrophobicContact CE1-CD2 4.16Å; F613-L638 HydrophobicContact CZ-CD1 4.21Å; F613-L638 HydrophobicContact CZ-CD2 4.5Å; F613-C668 WeakPolarHBondContact CA-O 3.49Å; F613-C668 HydrophobicContact CB-CB 4.23Å; F613-L670 HydrophobicContact CD2-CD1 4.24Å |
| 614 | G | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131 | -129.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | C668 N669 L670 | G614-C668 PolarHBondContact N-O 3.19Å; G614-N669 WeakPolarHBondContact O-CA 3.5Å; G614-L670 PolarHBondContact O-N 2.85Å |
| 615 | D | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -148 | 160.9 | -175.6 | -170.7 | 35.1 | 0 | 0 | 0 | 114.1 | V584 F617 N669 R671 | V584-D615 HydrophobicContact CB-CB 4.43Å; V584-D615 HydrophobicContact CG1-CB 3.81Å; D615-F617 VanDerWaalsContact C-N 3.34Å; D615-F617 HydrophobicContact CB-CD1 4.15Å; D615-F617 HydrophobicContact CB-CE1 3.75Å; D615-F617 HydrophobicContact CB-CZ 4.47Å; D615-F617 PolarHBondContact O-N 2.92Å; D615-F617 VanDerWaalsContact O-N 3.1Å; D615-N669 PolarHBondContact OD1-ND2 3.49Å; D615-R671 VanDerWaalsContact CG-NE 3.32Å; D615-R671 IonicContact OD1-NE 2.63Å; D615-R671 PolarHBondContact OD1-NE 2.9Å; D615-R671 IonicContact OD2-CZ 2.68Å; D615-R671 IonicContact OD2-NE 3.55Å; D615-R671 PolarHBondContact OD2-NE 3.46Å; D615-R671 IonicContact OD2-NH2 2.72Å; D615-R671 PolarHBondContact OD2-NH2 3.06Å | ||
| 616 | I | 92.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 19% | 0.185 | 27% | 0.273 | C | S | . | . | trans | -91.5 | 66.5 | -168.6 | -47.9 | 178.9 | 0 | 0 | 0 | 110.4 | W618 K619 E620 L666 | I616-W618 HydrophobicContact CG2-CD2 4.1Å; I616-W618 HydrophobicContact CG2-CH2 4.03Å; I616-W618 HydrophobicContact CG2-CZ2 3.59Å; I616-W618 HydrophobicContact CG2-CZ3 4.47Å; I616-W618 PolarHBondContact O-N 3.4Å; I616-K619 HydrophobicContact CG2-CB 3.9Å; I616-K619 HydrophobicContact CG2-CD 3.89Å; I616-K619 HydrophobicContact CG2-CG 3.81Å; I616-K619 PolarHBondContact O-N 2.71Å; I616-E620 PolarHBondContact O-N 3.42Å; I616-L666 HydrophobicContact CD1-CD1 4.45Å; I616-L666 HydrophobicContact CG1-CD1 3.58Å; I616-L666 HydrophobicContact CG1-CG 4.22Å | ||
| 617 | F | 91.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.1 | -168.2 | -57.6 | -41 | 0 | 0 | 0 | 116.4 | V584 A586 L587 D615 R643 L646 L647 | V584-F617 HydrophobicContact CG1-CE1 4.41Å; V584-F617 HydrophobicContact CG1-CZ 4.37Å; V584-F617 WeakPolarHBondContact O-CE1 3.46Å; A586-F617 WeakPolarHBondContact O-CZ 3.26Å; L587-F617 HydrophobicContact CB-CE2 3.96Å; D615-F617 VanDerWaalsContact C-N 3.34Å; D615-F617 HydrophobicContact CB-CD1 4.15Å; D615-F617 HydrophobicContact CB-CE1 3.75Å; D615-F617 HydrophobicContact CB-CZ 4.47Å; D615-F617 PolarHBondContact O-N 2.92Å; D615-F617 VanDerWaalsContact O-N 3.1Å; F617-R643 HydrophobicContact CB-CG 3.89Å; F617-R643 HydrophobicContact CD1-CB 4.25Å; F617-R643 VanDerWaalsContact CD1-CD 3.43Å; F617-R643 HydrophobicContact CD1-CG 3.85Å; F617-R643 HydrophobicContact CD2-CB 3.71Å; F617-R643 HydrophobicContact CD2-CG 3.83Å; F617-R643 HydrophobicContact CE1-CB 4.24Å; F617-R643 HydrophobicContact CE1-CG 4.28Å; F617-R643 HydrophobicContact CE2-CB 3.72Å; F617-R643 HydrophobicContact CE2-CG 4.28Å; F617-R643 HydrophobicContact CG-CB 3.98Å; F617-R643 HydrophobicContact CG-CG 3.59Å; F617-R643 HydrophobicContact CZ-CB 4Å; F617-R643 HydrophobicContact CZ-CG 4.49Å; F617-L646 HydrophobicContact CD2-CD2 4.35Å; F617-L647 HydrophobicContact CB-CD2 4.48Å |
| 618 | W | 88.9 | Confident | 91.2 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 19% | 0.186 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -4.6 | -179 | 61.8 | 90.7 | 0 | 0 | 0 | 113.6 | L587 I616 L646 L647 L650 F660 S661 L664 | L587-W618 HydrophobicContact CD2-CZ3 4.43Å; I616-W618 HydrophobicContact CG2-CD2 4.1Å; I616-W618 HydrophobicContact CG2-CH2 4.03Å; I616-W618 HydrophobicContact CG2-CZ2 3.59Å; I616-W618 HydrophobicContact CG2-CZ3 4.47Å; I616-W618 PolarHBondContact O-N 3.4Å; W618-L646 HydrophobicContact CE3-CD2 4.35Å; W618-L646 HydrophobicContact CZ3-CD2 4.28Å; W618-L647 HydrophobicContact CB-CD2 4.15Å; W618-L650 HydrophobicContact CB-CD1 3.99Å; W618-L650 HydrophobicContact CE3-CD1 4.42Å; W618-L650 HydrophobicContact CG-CD1 4.36Å; W618-F660 HydrophobicContact CD2-CD1 4.33Å; W618-F660 HydrophobicContact CD2-CE1 4.23Å; W618-F660 HydrophobicContact CE3-CD1 4.43Å; W618-F660 AromaticContact CE3-CE1 3.87Å; W618-F660 HydrophobicContact CE3-CE1 3.87Å; W618-F660 HydrophobicContact CH2-CD1 4.48Å; W618-F660 AromaticContact CH2-CE1 3.87Å; W618-F660 HydrophobicContact CH2-CE1 3.87Å; W618-F660 HydrophobicContact CZ2-CD1 4.34Å; W618-F660 HydrophobicContact CZ2-CE1 4.18Å; W618-F660 AromaticContact CZ3-CE1 3.71Å; W618-F660 HydrophobicContact CZ3-CE1 3.71Å; W618-F660 HydrophobicContact CZ3-CZ 4.49Å; W618-S661 VanDerWaalsContact CD1-OG 3.28Å; W618-S661 VanDerWaalsContact NE1-CA 3.32Å; W618-S661 VanDerWaalsContact NE1-CB 3.27Å; W618-S661 PolarHBondContact NE1-OG 3.19Å; W618-L664 HydrophobicContact CH2-CD2 3.64Å; W618-L664 HydrophobicContact CH2-CG 4.26Å; W618-L664 HydrophobicContact CZ2-CB 4.47Å; W618-L664 HydrophobicContact CZ2-CD2 4.33Å; W618-L664 HydrophobicContact CZ3-CD2 4.35Å |
| 619 | K | 87.3 | Confident | 91.2 | Very high | 127 Ų | 127 | 48.6 Ų | 48.6 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -29.2 | 167 | -62 | -174.6 | -170.8 | 166.9 | 0 | 111.6 | I616 S661 | I616-K619 HydrophobicContact CG2-CB 3.9Å; I616-K619 HydrophobicContact CG2-CD 3.89Å; I616-K619 HydrophobicContact CG2-CG 3.81Å; I616-K619 PolarHBondContact O-N 2.71Å; K619-S661 WeakPolarHBondContact CE-OG 3.39Å; K619-S661 PolarHBondContact NZ-O 2.91Å |
| 620 | E | 83.4 | Confident | 91.2 | Very high | 62 Ų | 62 | 43 Ų | 43 | 29% | 0.29 | 23% | 0.233 | S | C | . | . | trans | -115.6 | 107.1 | -177.3 | -58.7 | -158.6 | -133.3 | 0 | 0 | 112.2 | I616 T622 R643 R671 | I616-E620 PolarHBondContact O-N 3.42Å; E620-T622 VanDerWaalsContact C-N 3.31Å; E620-T622 PolarHBondContact O-N 2.84Å; E620-R643 PolarHBondContact O-NH2 2.99Å; E620-R671 VanDerWaalsContact CD-CD 3.42Å; E620-R671 WeakPolarHBondContact OE1-CD 3.31Å; E620-R671 IonicContact OE1-NE 2.69Å; E620-R671 WeakPolarHBondContact OE2-CD 3.49Å; E620-R671 IonicContact OE2-CZ 2.71Å; E620-R671 IonicContact OE2-NE 2.71Å; E620-R671 PolarHBondContact OE2-NE 3.02Å; E620-R671 IonicContact OE2-NH1 2.74Å; E620-R671 PolarHBondContact OE2-NH1 3.5Å | ||
| 621 | T | 76.9 | Confident | 91.3 | Very high | 131 Ų | 131 | 46.1 Ų | 46.1 | 80% | 0.804 | 24% | 0.236 | S | C | * | . | trans | -73.1 | -18.6 | -173 | -31.5 | 0 | 0 | 0 | 0 | 113.9 | R643 | T621-R643 PolarHBondContact O-NH2 3.49Š| ||
| 622 | T | 87.2 | Confident | 91.3 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 53% | 0.534 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -83.5 | 155.5 | 174.5 | 54.7 | 0 | 0 | 0 | 0 | 112 | E620 R671 | E620-T622 VanDerWaalsContact C-N 3.31Å; E620-T622 PolarHBondContact O-N 2.84Å; T622-R671 PolarHBondContact O-NH2 2.77Å; T622-R671 PolarHBondContact OG1-NH1 3.19Å |
| 623 | L | 86.1 | Confident | 91.2 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 52% | 0.524 | 24% | 0.243 | S | C | . | . | trans | -75.1 | 154.3 | 157.8 | -77.2 | 165.3 | 0 | 0 | 0 | 109.6 | D585 | D585-L623 HydrophobicContact CB-CD2 4.42Š| ||
| 624 | A | 89.2 | Confident | 91 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 12% | 0.116 | 26% | 0.259 | C | S | . | . | trans | -129.8 | 157.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V584 R671 | V584-A624 PolarHBondContact N-O 2.91Å; A624-R671 HydrophobicContact CB-CB 3.89Å; A624-R671 HydrophobicContact CB-CG 3.71Å; A624-R671 VanDerWaalsContact CB-CZ 3.47Å | ||
| 625 | H | 92.8 | Very high | 90.8 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 62% | 0.616 | 29% | 0.287 | S | S | * | . | B | Isolated β-bridge | trans | -81.7 | 137.4 | 169.8 | -59.8 | -80.5 | 0 | 0 | 0 | 110.1 | G581 E582 C627 | G581-H625 PolarHBondContact O-ND1 3.38Å; E582-H625 CarbonylContact O-C 3.58Å; E582-H625 VanDerWaalsContact O-CA 3.28Å; E582-H625 WeakPolarHBondContact O-CA 3.46Å; H625-C627 PolarHBondContact O-N 2.98Å |
| 626 | A | 93 | Very high | 90.7 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | trans | -62.9 | 124.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A580 G581 E582 V584 A628 L670 | A580-A626 CarbonylContact C-O 3.58Å; A580-A626 WeakPolarHBondContact CA-O 3.37Å; G581-A626 PolarHBondContact N-O 3.25Å; E582-A626 PolarHBondContact O-N 3.2Å; V584-A626 HydrophobicContact CG2-CB 3.76Å; A626-A628 VanDerWaalsContact C-N 3.28Å; A626-L670 HydrophobicContact CB-CB 4.41Å | ||
| 627 | C | 92.9 | Very high | 90.7 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 22% | 0.223 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -81.8 | -8.2 | 178.9 | -67.9 | 0 | 0 | 0 | 0 | 113 | Q599 H625 L670 R671 R673 | Q599-C627 PolarHBondContact NE2-O 3.03Å; H625-C627 PolarHBondContact O-N 2.98Å; C627-L670 WeakPolarHBondContact CB-O 3.39Å; C627-L670 PolarHBondContact N-O 3.05Å; C627-R671 PolarHBondContact SG-O 3.06Å; C627-R671 VanDerWaalsContact SG-O 3.33Å; C627-R673 HydrophobicContact CB-CB 4.12Å |
| 628 | A | 94.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -145 | 154 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V597 I598 Q599 A626 | V597-A628 HydrophobicContact CG1-CB 3.56Å; I598-A628 CarbonylContact O-C 3.56Å; I598-A628 WeakPolarHBondContact O-CA 3.44Å; I598-A628 WeakPolarHBondContact O-CB 3.4Å; Q599-A628 HydrophobicContact CB-CB 4.02Å; A626-A628 VanDerWaalsContact C-N 3.28Å |
| 629 | N | 95.8 | Very high | 91.2 | Very high | 45 Ų | 45 | 55.7 Ų | 55.7 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 148.7 | 165.7 | -65 | -39.6 | 0 | 0 | 0 | 109.5 | L576 Y578 H579 A580 V597 I598 | L576-N629 HydrophobicContact CD2-CB 3.95Å; Y578-N629 CarbonylContact O-C 3.55Å; Y578-N629 VanDerWaalsContact O-CA 3.31Å; Y578-N629 WeakPolarHBondContact O-CA 3.35Å; H579-N629 WeakPolarHBondContact CA-OD1 3.29Å; A580-N629 PolarHBondContact N-OD1 2.95Å; V597-N629 CarbonylContact C-O 3.57Å; V597-N629 WeakPolarHBondContact CA-O 3.44Å; I598-N629 HydrophobicContact CB-CB 4.35Å; I598-N629 PolarHBondContact N-O 3.45Å; I598-N629 PolarHBondContact O-N 3.21Å |
| 630 | V | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.3 | 170.2 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | L576 I577 Y578 L595 E596 V597 F613 L670 | L576-V630 CarbonylContact C-O 3.54Å; L576-V630 WeakPolarHBondContact CA-O 3.48Å; I577-V630 HydrophobicContact CB-CB 4.47Å; I577-V630 HydrophobicContact CB-CG1 4.49Å; I577-V630 PolarHBondContact N-O 2.97Å; Y578-V630 PolarHBondContact O-N 3.25Å; L595-V630 HydrophobicContact CB-CG1 4.4Å; L595-V630 HydrophobicContact CD2-CG1 3.97Å; E596-V630 WeakPolarHBondContact O-CA 3.39Å; V597-V630 HydrophobicContact CG1-CG2 4.46Å; V597-V630 HydrophobicContact CG2-CG2 4.31Å; F613-V630 HydrophobicContact CD2-CG1 4.42Å; F613-V630 HydrophobicContact CD2-CG2 4.38Å; F613-V630 HydrophobicContact CE2-CB 4.46Å; F613-V630 HydrophobicContact CE2-CG1 3.9Å; F613-V630 HydrophobicContact CE2-CG2 4.34Å; F613-V630 HydrophobicContact CZ-CG1 4.21Å; V630-L670 HydrophobicContact CG2-CD1 4.11Å; V630-L670 HydrophobicContact CG2-CD2 3.75Å |
| 631 | R | 95.2 | Very high | 92.2 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 36% | 0.362 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.7 | -175.6 | -170.8 | 165.5 | 66 | -171.1 | -1 | 111.5 | D575 L576 L595 E596 I598 | D575-R631 CarbonylContact O-C 3.49Å; D575-R631 VanDerWaalsContact O-CA 3.26Å; D575-R631 WeakPolarHBondContact O-CA 3.48Å; D575-R631 WeakPolarHBondContact O-CG 3.44Å; L576-R631 HydrophobicContact CD2-CB 3.8Å; L576-R631 HydrophobicContact CD2-CG 4.25Å; L595-R631 CarbonylContact C-O 3.56Å; L595-R631 WeakPolarHBondContact CA-O 3.26Å; L595-R631 WeakPolarHBondContact CB-O 3.33Å; E596-R631 HydrophobicContact CG-CB 3.95Å; E596-R631 PolarHBondContact N-O 2.97Å; E596-R631 PolarHBondContact O-N 3.4Å; E596-R631 IonicContact OE1-CZ 2.68Å; E596-R631 IonicContact OE1-NE 3.67Å; E596-R631 PolarHBondContact OE1-NE 3.26Å; E596-R631 IonicContact OE1-NH2 2.71Å; E596-R631 PolarHBondContact OE1-NH2 3.34Å; E596-R631 IonicContact OE2-NH2 3.15Å; I598-R631 HydrophobicContact CD1-CB 4.38Å |
| 632 | A | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | C571 A572 G574 D575 I577 C636 | C571-A632 HydrophobicContact CB-CB 4.09Å; A572-A632 WeakPolarHBondContact O-CB 3.45Å; G574-A632 PolarHBondContact N-O 2.75Å; D575-A632 PolarHBondContact O-N 3.13Å; I577-A632 HydrophobicContact CD1-CB 4.08Å; A632-C636 HydrophobicContact CB-CB 4.48Å |
| 633 | L | 94.3 | Very high | 93.4 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -90.7 | -36.1 | 174.1 | -68.8 | 170.9 | 0 | 0 | 0 | 111.5 | S594 E596 I606 | S594-L633 WeakPolarHBondContact O-CB 3.36Å; S594-L633 PolarHBondContact O-N 3.4Å; E596-L633 HydrophobicContact CB-CD1 4.27Å; E596-L633 HydrophobicContact CB-CD2 4.45Å; E596-L633 HydrophobicContact CB-CG 4.31Å; E596-L633 HydrophobicContact CG-CD2 4.05Å; E596-L633 HydrophobicContact CG-CG 4.21Å; E596-L633 WeakPolarHBondContact OE1-CD2 3.22Å; I606-L633 HydrophobicContact CG2-CD1 4.47Å |
| 634 | T | 92 | Very high | 93.7 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -116.4 | -176.7 | 176.7 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | G593 S594 C636 | G593-T634 WeakPolarHBondContact CA-OG1 3.38Å; S594-T634 PolarHBondContact N-OG1 3.48Å; S594-T634 PolarHBondContact O-N 2.86Å; T634-C636 PolarHBondContact O-N 3.03Å; T634-C636 PolarHBondContact O-SG 3.31Å; T634-C636 VanDerWaalsContact O-SG 3.38Å |
| 635 | Y | 89 | Confident | 94 | Very high | 153 Ų | 153 | 44.9 Ų | 44.9 | 60% | 0.6 | 21% | 0.212 | S | C | * | . | trans | -60.8 | 130.8 | 154.1 | -67.6 | -80.3 | 0 | 0 | 0 | 108.6 | C571 A572 P573 G593 | C571-Y635 VanDerWaalsContact O-CA 3.3Å; C571-Y635 WeakPolarHBondContact O-CA 3.22Å; A572-Y635 HydrophobicContact CB-CD1 4.24Å; A572-Y635 HydrophobicContact CB-CE1 3.87Å; P573-Y635 HydrophobicContact CG-CD2 4.08Å; P573-Y635 HydrophobicContact CG-CE2 3.98Å; P573-Y635 HydrophobicContact CG-CG 4.46Å; G593-Y635 WeakPolarHBondContact CA-O 3.46Å | ||
| 636 | C | 91.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.2 | -173.8 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | H570 C571 S592 S594 L595 A632 T634 | H570-C636 WeakPolarHBondContact CA-O 3.39Å; C571-C636 HydrophobicContact CB-CB 4.4Å; C571-C636 PolarHBondContact N-O 3.31Å; C571-C636 PolarHBondContact O-N 3.29Å; S592-C636 WeakPolarHBondContact O-CA 3.28Å; S594-C636 PolarHBondContact N-SG 3.03Å; S594-C636 VanDerWaalsContact N-SG 3.42Å; S594-C636 PolarHBondContact O-SG 3.42Å; L595-C636 HydrophobicContact CD1-CB 4.29Å; A632-C636 HydrophobicContact CB-CB 4.48Å; T634-C636 PolarHBondContact O-N 3.03Å; T634-C636 PolarHBondContact O-SG 3.31Å; T634-C636 VanDerWaalsContact O-SG 3.38Å |
| 637 | D | 92.1 | Very high | 94.2 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 114.2 | 169.9 | -63 | -30.6 | 0 | 0 | 0 | 108 | H570 V591 S592 | H570-D637 IonicContact CE1-OD1 3.4Å; H570-D637 PolarHBondContact CE1-OD1 2.84Å; H570-D637 IonicContact ND1-OD1 2.64Å; H570-D637 PolarHBondContact ND1-OD1 2.89Å; V591-D637 HydrophobicContact CB-CB 4.37Å; V591-D637 WeakPolarHBondContact CB-O 3.34Å; V591-D637 PolarHBondContact N-O 3.31Å; S592-D637 VanDerWaalsContact CB-OD2 3.23Å; S592-D637 WeakPolarHBondContact CB-OD2 3.37Å; S592-D637 PolarHBondContact N-O 3.3Å; S592-D637 PolarHBondContact O-N 3.01Å |
| 638 | L | 94.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.3 | 176.8 | -61.2 | -177.2 | 0 | 0 | 0 | 109.8 | T568 I569 I577 V590 L595 F613 I640 | T568-L638 CarbonylContact C-O 3.56Å; T568-L638 WeakPolarHBondContact CA-O 3.46Å; I569-L638 PolarHBondContact N-O 3.3Å; I569-L638 PolarHBondContact O-N 3.27Å; I577-L638 HydrophobicContact CG1-CD1 3.77Å; I577-L638 HydrophobicContact CG2-CD1 4.09Å; V590-L638 HydrophobicContact CB-CD2 4.32Å; V590-L638 HydrophobicContact CG1-CD2 4.38Å; V590-L638 HydrophobicContact CG2-CD2 3.94Å; L595-L638 HydrophobicContact CD1-CD2 4.04Å; L595-L638 HydrophobicContact CD2-CD1 4.22Å; L595-L638 HydrophobicContact CD2-CD2 4.28Å; F613-L638 HydrophobicContact CE1-CD2 4.16Å; F613-L638 HydrophobicContact CZ-CD1 4.21Å; F613-L638 HydrophobicContact CZ-CD2 4.5Å; L638-I640 HydrophobicContact CB-CG2 4.43Å |
| 639 | H | 95.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.4 | 168.6 | -76.5 | -125.7 | 0 | 0 | 0 | 107.5 | N541 V544 F566 T568 F589 V591 | N541-H639 PolarHBondContact OD1-ND1 3.23Å; V544-H639 HydrophobicContact CG2-CB 3.57Å; F566-H639 HydrophobicContact CD1-CB 4.18Å; F566-H639 HydrophobicContact CE1-CB 4.36Å; T568-H639 PolarHBondContact OG1-CE1 3.06Å; T568-H639 PolarHBondContact OG1-NE2 3.45Å; F589-H639 HydrophobicContact CB-CB 4.47Å; F589-H639 WeakPolarHBondContact CD2-O 3.27Å; F589-H639 PolarHBondContact N-O 3.44Å; F589-H639 PolarHBondContact O-N 3.34Å; V591-H639 HydrophobicContact CG2-CB 4.04Å; V591-H639 VanDerWaalsContact CG2-CD2 3.48Å; V591-H639 WeakPolarHBondContact CG2-CD2 3.44Å |
| 640 | I | 95.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 147.5 | -177.5 | 74.7 | 156.7 | 0 | 0 | 0 | 110.8 | F566 Q567 I569 A586 L587 C588 L638 | F566-I640 WeakPolarHBondContact CA-O 3.24Å; F566-I640 VanDerWaalsContact CD1-O 3.29Å; F566-I640 WeakPolarHBondContact CD1-O 3.38Å; Q567-I640 HydrophobicContact CB-CG1 3.92Å; Q567-I640 PolarHBondContact N-O 2.96Å; Q567-I640 PolarHBondContact O-N 3.03Å; I569-I640 HydrophobicContact CD1-CD1 3.54Å; I569-I640 HydrophobicContact CD1-CG1 3.97Å; I569-I640 HydrophobicContact CD1-CG2 4.21Å; I569-I640 HydrophobicContact CG1-CD1 4.44Å; I569-I640 HydrophobicContact CG1-CG1 4.41Å; A586-I640 HydrophobicContact CB-CD1 4.34Å; L587-I640 WeakPolarHBondContact O-CA 3.17Å; C588-I640 HydrophobicContact CB-CG2 4.25Å; C588-I640 VanDerWaalsContact SG-CG2 3.56Å; L638-I640 HydrophobicContact CB-CG2 4.43Å |
| 641 | I | 96.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131 | 166.4 | -170.7 | 169.2 | 0 | 0 | 0 | 109.9 | L562 E565 F566 A586 L587 F589 L646 | L562-I641 HydrophobicContact CD2-CD1 3.86Å; E565-I641 HydrophobicContact CB-CD1 4.28Å; E565-I641 HydrophobicContact CB-CG1 4.42Å; F566-I641 HydrophobicContact CD1-CB 3.98Å; F566-I641 HydrophobicContact CD2-CB 4.46Å; F566-I641 HydrophobicContact CD2-CD1 4.1Å; F566-I641 HydrophobicContact CE1-CB 3.87Å; F566-I641 HydrophobicContact CE1-CG2 4.02Å; F566-I641 HydrophobicContact CE2-CB 4.36Å; F566-I641 HydrophobicContact CE2-CD1 4.02Å; F566-I641 HydrophobicContact CG-CB 4.28Å; F566-I641 HydrophobicContact CZ-CB 4.06Å; F566-I641 HydrophobicContact CZ-CD1 4.49Å; F566-I641 HydrophobicContact CZ-CG2 3.97Å; A586-I641 WeakPolarHBondContact CA-O 3.47Å; L587-I641 HydrophobicContact CB-CG2 4.05Å; L587-I641 HydrophobicContact CD2-CG2 4.3Å; L587-I641 PolarHBondContact N-O 3.37Å; L587-I641 PolarHBondContact O-N 3.42Å; F589-I641 HydrophobicContact CE2-CG2 4.18Å; I641-L646 HydrophobicContact CD1-CB 4.1Å; I641-L646 HydrophobicContact CD1-CD1 4.26Å; I641-L646 HydrophobicContact CG1-CB 4.17Å; I641-L646 HydrophobicContact CG2-CB 4.37Å; I641-L646 HydrophobicContact CG2-CD2 4.29Å |
| 642 | K | 95.5 | Very high | 94.3 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.5 | -177.4 | -63.2 | -167.1 | 177.7 | -166.3 | 0 | 111.3 | E644 A645 L646 | K642-E644 VanDerWaalsContact C-N 3.33Å; K642-E644 PolarHBondContact O-N 3.41Å; K642-A645 PolarHBondContact O-N 2.82Å; K642-L646 PolarHBondContact O-N 2.89Å |
| 643 | R | 93.8 | Very high | 94.3 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 14% | 0.143 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -48.2 | -50.4 | -178.1 | 174.8 | 169 | -164.1 | -108.2 | -2.7 | 112.9 | D585 F617 E620 T621 A645 L647 | D585-R643 WeakPolarHBondContact O-CA 3.44Å; D585-R643 WeakPolarHBondContact O-CB 3.48Å; D585-R643 PolarHBondContact O-N 2.98Å; F617-R643 HydrophobicContact CB-CG 3.89Å; F617-R643 HydrophobicContact CD1-CB 4.25Å; F617-R643 VanDerWaalsContact CD1-CD 3.43Å; F617-R643 HydrophobicContact CD1-CG 3.85Å; F617-R643 HydrophobicContact CD2-CB 3.71Å; F617-R643 HydrophobicContact CD2-CG 3.83Å; F617-R643 HydrophobicContact CE1-CB 4.24Å; F617-R643 HydrophobicContact CE1-CG 4.28Å; F617-R643 HydrophobicContact CE2-CB 3.72Å; F617-R643 HydrophobicContact CE2-CG 4.28Å; F617-R643 HydrophobicContact CG-CB 3.98Å; F617-R643 HydrophobicContact CG-CG 3.59Å; F617-R643 HydrophobicContact CZ-CB 4Å; F617-R643 HydrophobicContact CZ-CG 4.49Å; E620-R643 PolarHBondContact O-NH2 2.99Å; T621-R643 PolarHBondContact O-NH2 3.49Å; R643-A645 PolarHBondContact O-N 3.37Å; R643-L647 HydrophobicContact CG-CD1 3.83Å; R643-L647 HydrophobicContact CG-CG 4.49Å; R643-L647 WeakPolarHBondContact O-CB 3.48Å; R643-L647 VanDerWaalsContact O-CG 3.25Å; R643-L647 WeakPolarHBondContact O-CG 3.32Å; R643-L647 PolarHBondContact O-N 3.11Å |
| 644 | E | 93.9 | Very high | 94.2 | Very high | 133 Ų | 133 | 55.4 Ų | 55.4 | 62% | 0.621 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | -179.6 | -74.1 | -163.9 | -159.5 | 0 | 0 | 113.1 | K642 K648 | K642-E644 VanDerWaalsContact C-N 3.33Å; K642-E644 PolarHBondContact O-N 3.41Å; E644-K648 WeakPolarHBondContact O-CB 3.29Å; E644-K648 VanDerWaalsContact O-CD 3.24Å; E644-K648 WeakPolarHBondContact O-CD 3.32Å; E644-K648 WeakPolarHBondContact O-CG 3.42Å; E644-K648 PolarHBondContact O-N 3.15Å; E644-K648 IonicContact OE2-NZ 3.88Å; E644-K648 PolarHBondContact OE2-NZ 3.41Å |
| 645 | A | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.7 | -46.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E565 K642 R643 L647 K648 V649 | E565-A645 HydrophobicContact CB-CB 3.77Å; E565-A645 HydrophobicContact CG-CB 3.9Å; E565-A645 VanDerWaalsContact OE2-CB 3.26Å; E565-A645 WeakPolarHBondContact OE2-CB 3.24Å; K642-A645 PolarHBondContact O-N 2.82Å; R643-A645 PolarHBondContact O-N 3.37Å; A645-L647 VanDerWaalsContact C-N 3.35Å; A645-L647 PolarHBondContact O-N 2.71Å; A645-K648 PolarHBondContact O-N 2.95Å; A645-V649 WeakPolarHBondContact O-CG2 3.39Å; A645-V649 PolarHBondContact O-N 3.39Å |
| 646 | L | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 173.9 | 179.2 | 60.5 | 0 | 0 | 0 | 111.2 | L562 L587 F617 W618 I641 K642 V649 L650 F660 | L562-L646 HydrophobicContact CD2-CD1 4.01Å; L587-L646 HydrophobicContact CD2-CD2 3.76Å; F617-L646 HydrophobicContact CD2-CD2 4.35Å; W618-L646 HydrophobicContact CE3-CD2 4.35Å; W618-L646 HydrophobicContact CZ3-CD2 4.28Å; I641-L646 HydrophobicContact CD1-CB 4.1Å; I641-L646 HydrophobicContact CD1-CD1 4.26Å; I641-L646 HydrophobicContact CG1-CB 4.17Å; I641-L646 HydrophobicContact CG2-CB 4.37Å; I641-L646 HydrophobicContact CG2-CD2 4.29Å; K642-L646 PolarHBondContact O-N 2.89Å; L646-V649 PolarHBondContact O-N 2.96Å; L646-L650 HydrophobicContact CD1-CD1 3.93Å; L646-L650 HydrophobicContact CD1-CD2 4.48Å; L646-L650 HydrophobicContact CD1-CG 4.03Å; L646-L650 HydrophobicContact CD2-CD1 4.46Å; L646-L650 HydrophobicContact CG-CD1 3.77Å; L646-L650 HydrophobicContact CG-CG 4.3Å; L646-L650 WeakPolarHBondContact O-CB 3.32Å; L646-L650 VanDerWaalsContact O-CG 3.24Å; L646-L650 WeakPolarHBondContact O-CG 3.5Å; L646-L650 PolarHBondContact O-N 3.29Å; L646-F660 HydrophobicContact CD1-CE1 4.05Å; L646-F660 HydrophobicContact CD1-CZ 3.93Å; L646-F660 HydrophobicContact CD2-CE1 4.14Å; L646-F660 HydrophobicContact CD2-CZ 4.23Å |
| 647 | L | 94.4 | Very high | 94.5 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 20% | 0.199 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 178 | -72.1 | 173 | 0 | 0 | 0 | 112.1 | F617 W618 R643 A645 V649 L650 D651 | F617-L647 HydrophobicContact CB-CD2 4.48Å; W618-L647 HydrophobicContact CB-CD2 4.15Å; R643-L647 HydrophobicContact CG-CD1 3.83Å; R643-L647 HydrophobicContact CG-CG 4.49Å; R643-L647 WeakPolarHBondContact O-CB 3.48Å; R643-L647 VanDerWaalsContact O-CG 3.25Å; R643-L647 WeakPolarHBondContact O-CG 3.32Å; R643-L647 PolarHBondContact O-N 3.11Å; A645-L647 VanDerWaalsContact C-N 3.35Å; A645-L647 PolarHBondContact O-N 2.71Å; L647-V649 PolarHBondContact O-N 3.46Å; L647-L650 PolarHBondContact O-N 2.92Å; L647-L650 VanDerWaalsContact O-N 3.11Å; L647-D651 WeakPolarHBondContact O-CB 3.42Å; L647-D651 VanDerWaalsContact O-CG 3.24Å; L647-D651 PolarHBondContact O-N 3.3Å |
| 648 | K | 95.4 | Very high | 94.5 | Very high | 126 Ų | 126 | 54.8 Ų | 54.8 | 55% | 0.548 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.5 | -36.8 | 175.9 | -71.4 | 159.2 | -163.8 | 166.9 | 0 | 112.4 | E644 A645 F652 | E644-K648 WeakPolarHBondContact O-CB 3.29Å; E644-K648 VanDerWaalsContact O-CD 3.24Å; E644-K648 WeakPolarHBondContact O-CD 3.32Å; E644-K648 WeakPolarHBondContact O-CG 3.42Å; E644-K648 PolarHBondContact O-N 3.15Å; E644-K648 IonicContact OE2-NZ 3.88Å; E644-K648 PolarHBondContact OE2-NZ 3.41Å; A645-K648 PolarHBondContact O-N 2.95Å; K648-F652 WeakPolarHBondContact O-CB 3.34Å; K648-F652 PolarHBondContact O-N 3.43Å |
| 649 | V | 95.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -77.2 | -38.8 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 112 | A561 L562 A645 L646 L647 F652 Y653 | A561-V649 HydrophobicContact CB-CG1 4.19Å; A561-V649 HydrophobicContact CB-CG2 4.34Å; L562-V649 HydrophobicContact CD2-CB 4.17Å; L562-V649 HydrophobicContact CD2-CG1 3.75Å; L562-V649 HydrophobicContact CG-CG1 3.92Å; A645-V649 WeakPolarHBondContact O-CG2 3.39Å; A645-V649 PolarHBondContact O-N 3.39Å; L646-V649 PolarHBondContact O-N 2.96Å; L647-V649 PolarHBondContact O-N 3.46Å; V649-F652 PolarHBondContact O-N 2.97Å; V649-Y653 HydrophobicContact CG1-CD2 3.77Å; V649-Y653 HydrophobicContact CG1-CE2 4.18Å; V649-Y653 WeakPolarHBondContact O-CD2 3.27Å; V649-Y653 PolarHBondContact O-N 2.89Å |
| 650 | L | 94.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | 175.9 | -67.8 | 171.7 | 0 | 0 | 0 | 112.2 | W618 L646 L647 F652 Y653 T654 F656 A657 F660 | W618-L650 HydrophobicContact CB-CD1 3.99Å; W618-L650 HydrophobicContact CE3-CD1 4.42Å; W618-L650 HydrophobicContact CG-CD1 4.36Å; L646-L650 HydrophobicContact CD1-CD1 3.93Å; L646-L650 HydrophobicContact CD1-CD2 4.48Å; L646-L650 HydrophobicContact CD1-CG 4.03Å; L646-L650 HydrophobicContact CD2-CD1 4.46Å; L646-L650 HydrophobicContact CG-CD1 3.77Å; L646-L650 HydrophobicContact CG-CG 4.3Å; L646-L650 WeakPolarHBondContact O-CB 3.32Å; L646-L650 VanDerWaalsContact O-CG 3.24Å; L646-L650 WeakPolarHBondContact O-CG 3.5Å; L646-L650 PolarHBondContact O-N 3.29Å; L647-L650 PolarHBondContact O-N 2.92Å; L647-L650 VanDerWaalsContact O-N 3.11Å; L650-F652 VanDerWaalsContact C-N 3.3Å; L650-F652 PolarHBondContact O-N 3.15Å; L650-Y653 CarbonylContact O-C 3.48Å; L650-Y653 VanDerWaalsContact O-C 3.25Å; L650-Y653 PolarHBondContact O-N 3.45Å; L650-T654 PolarHBondContact O-N 3.28Å; L650-F656 HydrophobicContact CD2-CD1 4.08Å; L650-F656 HydrophobicContact CD2-CE1 4.14Å; L650-A657 HydrophobicContact CB-CB 3.94Å; L650-A657 HydrophobicContact CD2-CB 3.87Å; L650-A657 HydrophobicContact CG-CB 4.46Å; L650-F660 HydrophobicContact CD1-CD1 4.03Å; L650-F660 HydrophobicContact CD1-CE1 4.06Å; L650-F660 HydrophobicContact CD2-CB 4.12Å; L650-F660 HydrophobicContact CD2-CD1 3.64Å; L650-F660 HydrophobicContact CD2-CE1 4.22Å; L650-F660 HydrophobicContact CD2-CG 3.97Å |
| 651 | D | 94.6 | Very high | 94.2 | Very high | 118 Ų | 118 | 55.8 Ų | 55.8 | 63% | 0.631 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.1 | -35 | 175.9 | -70.3 | -23.2 | 0 | 0 | 0 | 111.8 | L647 T654 | L647-D651 WeakPolarHBondContact O-CB 3.42Å; L647-D651 VanDerWaalsContact O-CG 3.24Å; L647-D651 PolarHBondContact O-N 3.3Å; D651-T654 VanDerWaalsContact O-CG2 3.27Å; D651-T654 WeakPolarHBondContact O-CG2 3.41Å |
| 652 | F | 95.6 | Very high | 94 | Very high | 155 Ų | 155 | 65.5 Ų | 65.5 | 68% | 0.68 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -75.4 | -41.7 | 175.1 | -171.1 | -91.3 | 0 | 0 | 0 | 112.2 | K648 V649 L650 | K648-F652 WeakPolarHBondContact O-CB 3.34Å; K648-F652 PolarHBondContact O-N 3.43Å; V649-F652 PolarHBondContact O-N 2.97Å; L650-F652 VanDerWaalsContact C-N 3.3Å; L650-F652 PolarHBondContact O-N 3.15Å |
| 653 | Y | 95.4 | Very high | 93.9 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -102.2 | 58.9 | 179.5 | -64.8 | -72.3 | 0 | 0 | 0 | 112.2 | G557 C558 A561 V649 L650 A655 F656 A657 | G557-Y653 PolarHBondContact O-OH 3.23Å; C558-Y653 HydrophobicContact CB-CD1 4.17Å; C558-Y653 HydrophobicContact CB-CD2 3.87Å; C558-Y653 HydrophobicContact CB-CE1 4.19Å; C558-Y653 HydrophobicContact CB-CE2 3.89Å; C558-Y653 HydrophobicContact CB-CG 4.01Å; C558-Y653 VanDerWaalsContact SG-CD2 3.55Å; A561-Y653 HydrophobicContact CB-CE2 3.95Å; V649-Y653 HydrophobicContact CG1-CD2 3.77Å; V649-Y653 HydrophobicContact CG1-CE2 4.18Å; V649-Y653 WeakPolarHBondContact O-CD2 3.27Å; V649-Y653 PolarHBondContact O-N 2.89Å; L650-Y653 CarbonylContact O-C 3.48Å; L650-Y653 VanDerWaalsContact O-C 3.25Å; L650-Y653 PolarHBondContact O-N 3.45Å; Y653-A655 PolarHBondContact O-N 3.38Å; Y653-A655 VanDerWaalsContact O-N 3.08Å; Y653-F656 WeakPolarHBondContact O-CA 3.29Å; Y653-F656 WeakPolarHBondContact O-CB 3.46Å; Y653-F656 PolarHBondContact O-N 3.29Å; Y653-A657 PolarHBondContact O-N 2.9Å |
| 654 | T | 92.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -51.6 | -35.7 | -175.7 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | L650 D651 A657 N658 | L650-T654 PolarHBondContact O-N 3.28Å; D651-T654 VanDerWaalsContact O-CG2 3.27Å; D651-T654 WeakPolarHBondContact O-CG2 3.41Å; T654-A657 PolarHBondContact O-N 2.77Å; T654-N658 PolarHBondContact O-N 3.06Å; T654-N658 PolarHBondContact O-ND2 3.21Å |
| 655 | A | 90.9 | Very high | 93.8 | Very high | 84 Ų | 84 | 61.5 Ų | 61.5 | 69% | 0.694 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.7 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y653 | Y653-A655 PolarHBondContact O-N 3.38Å; Y653-A655 VanDerWaalsContact O-N 3.08Å |
| 656 | F | 94.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.9 | -38.7 | 174 | 174 | -108.8 | 0 | 0 | 0 | 111.4 | A550 F551 A554 C558 L562 L650 Y653 N658 S659 F660 | A550-F656 VanDerWaalsContact O-CE2 3.32Å; A550-F656 WeakPolarHBondContact O-CE2 3.33Å; F551-F656 HydrophobicContact CD1-CZ 4.02Å; F551-F656 HydrophobicContact CE1-CZ 4.47Å; A554-F656 HydrophobicContact CB-CD2 3.95Å; A554-F656 HydrophobicContact CB-CE2 3.6Å; A554-F656 HydrophobicContact CB-CZ 4.09Å; C558-F656 VanDerWaalsContact SG-CD1 3.54Å; L562-F656 HydrophobicContact CD1-CE1 4.18Å; L562-F656 HydrophobicContact CD1-CZ 4.46Å; L650-F656 HydrophobicContact CD2-CD1 4.08Å; L650-F656 HydrophobicContact CD2-CE1 4.14Å; Y653-F656 WeakPolarHBondContact O-CA 3.29Å; Y653-F656 WeakPolarHBondContact O-CB 3.46Å; Y653-F656 PolarHBondContact O-N 3.29Å; F656-N658 VanDerWaalsContact C-N 3.26Å; F656-N658 PolarHBondContact O-N 2.95Å; F656-S659 CarbonylContact O-C 3.6Å; F656-S659 WeakPolarHBondContact O-CA 3.44Å; F656-S659 WeakPolarHBondContact O-CB 3.33Å; F656-S659 PolarHBondContact O-N 3.19Å; F656-F660 HydrophobicContact CD1-CB 4.35Å; F656-F660 HydrophobicContact CE1-CB 3.93Å; F656-F660 AromaticContact CE1-CD2 3.85Å; F656-F660 HydrophobicContact CE1-CD2 3.85Å; F656-F660 HydrophobicContact CE1-CG 4.06Å; F656-F660 HydrophobicContact CE2-CB 4.43Å; F656-F660 HydrophobicContact CZ-CB 3.97Å; F656-F660 AromaticContact CZ-CD2 3.63Å; F656-F660 HydrophobicContact CZ-CD2 3.63Å; F656-F660 HydrophobicContact CZ-CG 4.16Å; F656-F660 WeakPolarHBondContact O-CB 3.28Å; F656-F660 PolarHBondContact O-N 3.39Å |
| 657 | A | 93.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 66.1 Ų | 66.1 | 17% | 0.174 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.7 | -38.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L650 Y653 T654 S661 | L650-A657 HydrophobicContact CB-CB 3.94Å; L650-A657 HydrophobicContact CD2-CB 3.87Å; L650-A657 HydrophobicContact CG-CB 4.46Å; Y653-A657 PolarHBondContact O-N 2.9Å; T654-A657 PolarHBondContact O-N 2.77Å; A657-S661 WeakPolarHBondContact O-CB 3.43Å; A657-S661 PolarHBondContact O-N 3.26Å |
| 658 | N | 90.9 | Very high | 93.6 | Very high | 116 Ų | 116 | 65.1 Ų | 65.1 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.9 | -34.5 | 173.9 | -74.1 | -53.8 | 0 | 0 | 0 | 113.3 | T654 F656 R662 | T654-N658 PolarHBondContact O-N 3.06Å; T654-N658 PolarHBondContact O-ND2 3.21Å; F656-N658 VanDerWaalsContact C-N 3.26Å; F656-N658 PolarHBondContact O-N 2.95Å; N658-R662 WeakPolarHBondContact O-CD 3.43Å; N658-R662 VanDerWaalsContact O-CG 3.32Å; N658-R662 WeakPolarHBondContact O-CG 3.34Å |
| 659 | S | 93.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.3 | -48 | 173.8 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | L553 F656 S661 R662 N663 | L553-S659 WeakPolarHBondContact CD1-OG 3.3Å; F656-S659 CarbonylContact O-C 3.6Å; F656-S659 WeakPolarHBondContact O-CA 3.44Å; F656-S659 WeakPolarHBondContact O-CB 3.33Å; F656-S659 PolarHBondContact O-N 3.19Å; S659-S661 VanDerWaalsContact C-N 3.33Å; S659-S661 PolarHBondContact O-N 3Å; S659-R662 PolarHBondContact O-N 3.01Å; S659-R662 VanDerWaalsContact O-N 3.14Å; S659-N663 WeakPolarHBondContact O-CB 3.4Å; S659-N663 PolarHBondContact O-N 2.91Å |
| 660 | F | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 176.8 | -173.5 | -104.7 | 0 | 0 | 0 | 111.5 | A550 F551 L587 W618 L646 L650 F656 R662 N663 L664 | A550-F660 HydrophobicContact CB-CD2 3.95Å; A550-F660 HydrophobicContact CB-CE2 4.16Å; F551-F660 HydrophobicContact CD1-CE2 4.43Å; F551-F660 HydrophobicContact CE1-CD2 4.22Å; F551-F660 AromaticContact CE1-CE2 3.62Å; F551-F660 HydrophobicContact CE1-CE2 3.62Å; F551-F660 AromaticContact CZ-CE2 3.79Å; F551-F660 HydrophobicContact CZ-CE2 3.79Å; L587-F660 HydrophobicContact CD2-CZ 4.28Å; W618-F660 HydrophobicContact CD2-CD1 4.33Å; W618-F660 HydrophobicContact CD2-CE1 4.23Å; W618-F660 HydrophobicContact CE3-CD1 4.43Å; W618-F660 AromaticContact CE3-CE1 3.87Å; W618-F660 HydrophobicContact CE3-CE1 3.87Å; W618-F660 HydrophobicContact CH2-CD1 4.48Å; W618-F660 AromaticContact CH2-CE1 3.87Å; W618-F660 HydrophobicContact CH2-CE1 3.87Å; W618-F660 HydrophobicContact CZ2-CD1 4.34Å; W618-F660 HydrophobicContact CZ2-CE1 4.18Å; W618-F660 AromaticContact CZ3-CE1 3.71Å; W618-F660 HydrophobicContact CZ3-CE1 3.71Å; W618-F660 HydrophobicContact CZ3-CZ 4.49Å; L646-F660 HydrophobicContact CD1-CE1 4.05Å; L646-F660 HydrophobicContact CD1-CZ 3.93Å; L646-F660 HydrophobicContact CD2-CE1 4.14Å; L646-F660 HydrophobicContact CD2-CZ 4.23Å; L650-F660 HydrophobicContact CD1-CD1 4.03Å; L650-F660 HydrophobicContact CD1-CE1 4.06Å; L650-F660 HydrophobicContact CD2-CB 4.12Å; L650-F660 HydrophobicContact CD2-CD1 3.64Å; L650-F660 HydrophobicContact CD2-CE1 4.22Å; L650-F660 HydrophobicContact CD2-CG 3.97Å; F656-F660 HydrophobicContact CD1-CB 4.35Å; F656-F660 HydrophobicContact CE1-CB 3.93Å; F656-F660 AromaticContact CE1-CD2 3.85Å; F656-F660 HydrophobicContact CE1-CD2 3.85Å; F656-F660 HydrophobicContact CE1-CG 4.06Å; F656-F660 HydrophobicContact CE2-CB 4.43Å; F656-F660 HydrophobicContact CZ-CB 3.97Å; F656-F660 AromaticContact CZ-CD2 3.63Å; F656-F660 HydrophobicContact CZ-CD2 3.63Å; F656-F660 HydrophobicContact CZ-CG 4.16Å; F656-F660 WeakPolarHBondContact O-CB 3.28Å; F656-F660 PolarHBondContact O-N 3.39Å; F660-R662 PolarHBondContact O-N 3.28Å; F660-N663 PolarHBondContact O-N 2.92Å; F660-L664 HydrophobicContact CD2-CD2 4.49Å; F660-L664 HydrophobicContact CE1-CD2 3.79Å; F660-L664 HydrophobicContact CE2-CD2 3.69Å; F660-L664 HydrophobicContact CZ-CD2 3.29Å; F660-L664 VanDerWaalsContact O-CB 3.28Å; F660-L664 WeakPolarHBondContact O-CB 3.28Å; F660-L664 PolarHBondContact O-N 3.23Å |
| 661 | S | 92.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 61.3 Ų | 61.3 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -17.8 | 178.9 | -173.9 | 0 | 0 | 0 | 0 | 115.5 | W618 K619 A657 S659 | W618-S661 VanDerWaalsContact CD1-OG 3.28Å; W618-S661 VanDerWaalsContact NE1-CA 3.32Å; W618-S661 VanDerWaalsContact NE1-CB 3.27Å; W618-S661 PolarHBondContact NE1-OG 3.19Å; K619-S661 WeakPolarHBondContact CE-OG 3.39Å; K619-S661 PolarHBondContact NZ-O 2.91Å; A657-S661 WeakPolarHBondContact O-CB 3.43Å; A657-S661 PolarHBondContact O-N 3.26Å; S659-S661 VanDerWaalsContact C-N 3.33Å; S659-S661 PolarHBondContact O-N 3Å |
| 662 | R | 91.4 | Very high | 93 | Very high | 207 Ų | 207 | 61.9 Ų | 61.9 | 78% | 0.781 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -97.4 | -38.4 | 175.4 | -73.2 | 172.5 | 58.1 | -176.9 | -3.6 | 112.8 | N658 S659 F660 | N658-R662 WeakPolarHBondContact O-CD 3.43Å; N658-R662 VanDerWaalsContact O-CG 3.32Å; N658-R662 WeakPolarHBondContact O-CG 3.34Å; S659-R662 PolarHBondContact O-N 3.01Å; S659-R662 VanDerWaalsContact O-N 3.14Å; F660-R662 PolarHBondContact O-N 3.28Å |
| 663 | N | 93 | Very high | 92.7 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 28% | 0.283 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -94.5 | -19.4 | -170.9 | -65.8 | 8.2 | 0 | 0 | 0 | 113.5 | P549 S659 F660 | P549-N663 PolarHBondContact O-ND2 3.46Å; S659-N663 WeakPolarHBondContact O-CB 3.4Å; S659-N663 PolarHBondContact O-N 2.91Å; F660-N663 PolarHBondContact O-N 2.92Å |
| 664 | L | 93.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 62.3 Ų | 62.3 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | trans | -91.7 | 101.1 | 176 | -173.7 | 57.7 | 0 | 0 | 0 | 111.3 | A550 L587 F589 V612 W618 F660 | A550-L664 HydrophobicContact CB-CB 3.8Å; A550-L664 HydrophobicContact CB-CD1 4.13Å; A550-L664 HydrophobicContact CB-CG 4.44Å; L587-L664 HydrophobicContact CD2-CD2 3.88Å; F589-L664 HydrophobicContact CE1-CD1 4.16Å; F589-L664 HydrophobicContact CZ-CD2 4.35Å; V612-L664 HydrophobicContact CB-CD1 4.4Å; V612-L664 HydrophobicContact CG1-CD1 4.26Å; V612-L664 HydrophobicContact CG2-CD1 4.07Å; W618-L664 HydrophobicContact CH2-CD2 3.64Å; W618-L664 HydrophobicContact CH2-CG 4.26Å; W618-L664 HydrophobicContact CZ2-CB 4.47Å; W618-L664 HydrophobicContact CZ2-CD2 4.33Å; W618-L664 HydrophobicContact CZ3-CD2 4.35Å; F660-L664 HydrophobicContact CD2-CD2 4.49Å; F660-L664 HydrophobicContact CE1-CD2 3.79Å; F660-L664 HydrophobicContact CE2-CD2 3.69Å; F660-L664 HydrophobicContact CZ-CD2 3.29Å; F660-L664 VanDerWaalsContact O-CB 3.28Å; F660-L664 WeakPolarHBondContact O-CB 3.28Å; F660-L664 PolarHBondContact O-N 3.23Å | ||
| 665 | T | 91.3 | Very high | 92.5 | Very high | 113 Ų | 113 | 65.8 Ų | 65.8 | 69% | 0.693 | 34% | 0.34 | S | S | * | . | trans | -92.8 | 128.4 | 165.3 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 666 | L | 93.5 | Very high | 92.5 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | trans | -79.6 | 131.7 | 169.5 | -55.3 | -177.4 | 0 | 0 | 0 | 109.6 | L587 V612 I616 N669 | L587-L666 HydrophobicContact CD1-CD2 3.52Å; V612-L666 HydrophobicContact CB-CD2 4.26Å; V612-L666 HydrophobicContact CG1-CD2 3.77Å; V612-L666 CarbonylContact O-C 3.55Å; I616-L666 HydrophobicContact CD1-CD1 4.45Å; I616-L666 HydrophobicContact CG1-CD1 3.58Å; I616-L666 HydrophobicContact CG1-CG 4.22Å; L666-N669 HydrophobicContact CD1-CB 4.3Å | ||
| 667 | T | 94.4 | Very high | 92.4 | Very high | 73 Ų | 73 | 72.6 Ų | 72.6 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -65.7 | -41.6 | 170.7 | -44.2 | 0 | 0 | 0 | 0 | 110.4 | L607 D611 V612 | L607-T667 HydrophobicContact CD2-CG2 3.75Å; D611-T667 HydrophobicContact CB-CG2 4.32Å; D611-T667 WeakPolarHBondContact CB-OG1 3.35Å; D611-T667 WeakPolarHBondContact OD1-CB 3.48Å; D611-T667 WeakPolarHBondContact OD1-CG2 3.37Å; D611-T667 PolarHBondContact OD1-OG1 2.8Å; V612-T667 PolarHBondContact N-OG1 3.08Å; V612-T667 PolarHBondContact O-N 2.88Å |
| 668 | C | 93.5 | Very high | 92.3 | Very high | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 124.6 | 173.5 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | L607 V612 F613 G614 | L607-C668 HydrophobicContact CD2-CB 4.09Å; V612-C668 PolarHBondContact O-N 2.9Å; F613-C668 WeakPolarHBondContact CA-O 3.49Å; F613-C668 HydrophobicContact CB-CB 4.23Å; G614-C668 PolarHBondContact N-O 3.19Å |
| 669 | N | 93.9 | Very high | 92.4 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 111.6 | 172.3 | 174.8 | -91 | 0 | 0 | 0 | 109.5 | G614 D615 L666 R671 K672 | G614-N669 WeakPolarHBondContact O-CA 3.5Å; D615-N669 PolarHBondContact OD1-ND2 3.49Å; L666-N669 HydrophobicContact CD1-CB 4.3Å; N669-R671 VanDerWaalsContact C-N 3.28Å; N669-R671 PolarHBondContact O-N 3.02Å; N669-R671 WeakPolarHBondContact OD1-CB 3.42Å; N669-R671 PolarHBondContact OD1-N 3.37Å; N669-K672 HydrophobicContact CB-CD 4.44Å; N669-K672 PolarHBondContact O-N 2.74Å; N669-K672 VanDerWaalsContact OD1-CG 3.26Å; N669-K672 WeakPolarHBondContact OD1-CG 3.28Å; N669-K672 PolarHBondContact OD1-N 3.39Å; N669-K672 VanDerWaalsContact OD1-N 3.14Å |
| 670 | L | 92.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 76.8 Ų | 76.8 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.1 | -172.9 | -63.5 | -179.1 | 0 | 0 | 0 | 113.7 | Y578 V584 V597 F613 G614 A626 C627 V630 K672 | Y578-L670 HydrophobicContact CD2-CD1 3.55Å; Y578-L670 HydrophobicContact CE2-CD1 4.13Å; Y578-L670 HydrophobicContact CG-CD1 4.1Å; V584-L670 HydrophobicContact CG2-CB 3.86Å; V584-L670 HydrophobicContact CG2-CD1 4.2Å; V597-L670 HydrophobicContact CG1-CD2 4.31Å; F613-L670 HydrophobicContact CD2-CD1 4.24Å; G614-L670 PolarHBondContact O-N 2.85Å; A626-L670 HydrophobicContact CB-CB 4.41Å; C627-L670 WeakPolarHBondContact CB-O 3.39Å; C627-L670 PolarHBondContact N-O 3.05Å; V630-L670 HydrophobicContact CG2-CD1 4.11Å; V630-L670 HydrophobicContact CG2-CD2 3.75Å; L670-K672 VanDerWaalsContact C-N 3.35Å |
| 671 | R | 91.4 | Very high | 92 | Very high | 41 Ų | 41 | 81 Ų | 81 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.9 | 174.7 | 171.6 | -173.1 | -62 | -115 | -8 | 112.8 | D615 E620 T622 A624 C627 N669 | D615-R671 VanDerWaalsContact CG-NE 3.32Å; D615-R671 IonicContact OD1-NE 2.63Å; D615-R671 PolarHBondContact OD1-NE 2.9Å; D615-R671 IonicContact OD2-CZ 2.68Å; D615-R671 IonicContact OD2-NE 3.55Å; D615-R671 PolarHBondContact OD2-NE 3.46Å; D615-R671 IonicContact OD2-NH2 2.72Å; D615-R671 PolarHBondContact OD2-NH2 3.06Å; E620-R671 VanDerWaalsContact CD-CD 3.42Å; E620-R671 WeakPolarHBondContact OE1-CD 3.31Å; E620-R671 IonicContact OE1-NE 2.69Å; E620-R671 WeakPolarHBondContact OE2-CD 3.49Å; E620-R671 IonicContact OE2-CZ 2.71Å; E620-R671 IonicContact OE2-NE 2.71Å; E620-R671 PolarHBondContact OE2-NE 3.02Å; E620-R671 IonicContact OE2-NH1 2.74Å; E620-R671 PolarHBondContact OE2-NH1 3.5Å; T622-R671 PolarHBondContact O-NH2 2.77Å; T622-R671 PolarHBondContact OG1-NH1 3.19Å; A624-R671 HydrophobicContact CB-CB 3.89Å; A624-R671 HydrophobicContact CB-CG 3.71Å; A624-R671 VanDerWaalsContact CB-CZ 3.47Å; C627-R671 PolarHBondContact SG-O 3.06Å; C627-R671 VanDerWaalsContact SG-O 3.33Å; N669-R671 VanDerWaalsContact C-N 3.28Å; N669-R671 PolarHBondContact O-N 3.02Å; N669-R671 WeakPolarHBondContact OD1-CB 3.42Å; N669-R671 PolarHBondContact OD1-N 3.37Å |
| 672 | K | 89.9 | Confident | 92 | Very high | 129 Ų | 129 | 82.2 Ų | 82.2 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -92.7 | 108.8 | -175 | -74.2 | 170.6 | -173 | 179.8 | 0 | 111.2 | N669 L670 I674 | N669-K672 HydrophobicContact CB-CD 4.44Å; N669-K672 PolarHBondContact O-N 2.74Å; N669-K672 VanDerWaalsContact OD1-CG 3.26Å; N669-K672 WeakPolarHBondContact OD1-CG 3.28Å; N669-K672 PolarHBondContact OD1-N 3.39Å; N669-K672 VanDerWaalsContact OD1-N 3.14Å; L670-K672 VanDerWaalsContact C-N 3.35Å; K672-I674 PolarHBondContact O-N 3.18Å |
| 673 | R | 90.5 | Very high | 92 | Very high | 140 Ų | 140 | 79.1 Ų | 79.1 | 53% | 0.528 | 39% | 0.39 | S | S | . | . | trans | -65.6 | 128.4 | 167.4 | -168.5 | 178.6 | -173.1 | 98.6 | -1.6 | 110 | D600 C627 | D600-R673 IonicContact OD1-CZ 3.46Å; D600-R673 IonicContact OD1-NH1 3.74Å; D600-R673 IonicContact OD1-NH2 3.55Å; D600-R673 PolarHBondContact OD1-NH2 2.9Å; D600-R673 IonicContact OD2-CZ 2.72Å; D600-R673 IonicContact OD2-NH2 2.68Å; D600-R673 PolarHBondContact OD2-NH2 3.36Å; C627-R673 HydrophobicContact CB-CB 4.12Å | ||
| 674 | I | 91.4 | Very high | 92 | Very high | 85 Ų | 85 | 82.5 Ų | 82.5 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | trans | -89.1 | 138.5 | 175.9 | -66.8 | 168.1 | 0 | 0 | 0 | 107.5 | Q599 V604 K672 F676 | Q599-I674 PolarHBondContact OE1-O 3.48Å; V604-I674 HydrophobicContact CG1-CB 4.29Å; V604-I674 HydrophobicContact CG1-CD1 3.48Å; V604-I674 VanDerWaalsContact CG1-CD1 3.48Å; V604-I674 HydrophobicContact CG1-CG1 4.46Å; V604-I674 HydrophobicContact CG1-CG2 4.16Å; K672-I674 PolarHBondContact O-N 3.18Å; I674-F676 HydrophobicContact CG2-CD1 4.33Å | ||
| 675 | I | 90.8 | Very high | 91.8 | Very high | 164 Ų | 164 | 85 Ų | 85 | 84% | 0.841 | 41% | 0.413 | S | S | * | . | trans | -106.7 | 106.9 | -173.6 | -57.5 | 177 | 0 | 0 | 0 | 108.4 | ||||
| 676 | F | 92.3 | Very high | 91.7 | Very high | 73 Ų | 73 | 84.5 Ų | 84.5 | 32% | 0.32 | 40% | 0.403 | S | S | . | . | trans | -131.8 | 179.8 | 176.6 | 62.4 | -87.5 | 0 | 0 | 0 | 110.7 | Q599 D600 E602 V604 I674 | Q599-F676 HydrophobicContact CB-CE1 4.43Å; Q599-F676 HydrophobicContact CG-CE1 4.18Å; Q599-F676 WeakPolarHBondContact O-CZ 3.45Å; D600-F676 HydrophobicContact CB-CZ 4.07Å; E602-F676 HydrophobicContact CB-CE2 4.03Å; E602-F676 HydrophobicContact CB-CZ 4.06Å; E602-F676 HydrophobicContact CG-CE2 3.67Å; E602-F676 HydrophobicContact CG-CZ 4.14Å; V604-F676 HydrophobicContact CG2-CE1 4.23Å; I674-F676 HydrophobicContact CG2-CD1 4.33Å | ||
| 677 | R | 91.4 | Very high | 91.5 | Very high | 167 Ų | 167 | 87.4 Ų | 87.4 | 63% | 0.63 | 42% | 0.416 | S | S | * | . | trans | -137.8 | 141.7 | 169.1 | -65.5 | -176 | 175.9 | -157.5 | -3.5 | 108.3 | V682 E685 | R677-V682 HydrophobicContact CB-CG2 3.79Å; R677-E685 IonicContact CZ-OE2 3.83Å; R677-E685 IonicContact NH1-OE1 2.69Å; R677-E685 IonicContact NH1-OE2 3.59Å; R677-E685 PolarHBondContact NH1-OE2 3.11Å | ||
| 678 | K | 92.5 | Very high | 91 | Very high | 51 Ų | 51 | 87.7 Ų | 87.7 | 22% | 0.222 | 41% | 0.412 | C | S | . | . | trans | -71.6 | 144.3 | 176.1 | -53.6 | -170.1 | 179.3 | -140.7 | 0 | 110.3 | D600 E602 S680 D681 V682 | D600-K678 WeakPolarHBondContact O-CE 3.47Å; D600-K678 PolarHBondContact O-NZ 2.83Å; E602-K678 HydrophobicContact CG-CD 4.3Å; E602-K678 HydrophobicContact CG-CG 4.27Å; E602-K678 VanDerWaalsContact OE1-CD 3.27Å; E602-K678 WeakPolarHBondContact OE1-CD 3.41Å; E602-K678 WeakPolarHBondContact OE1-CE 3.48Å; E602-K678 IonicContact OE1-NZ 3.57Å; E602-K678 PolarHBondContact OE1-NZ 2.87Å; K678-S680 WeakPolarHBondContact CB-OG 3.36Å; K678-S680 PolarHBondContact O-N 2.99Å; K678-D681 HydrophobicContact CB-CB 4.48Å; K678-D681 PolarHBondContact O-N 3.18Å; K678-V682 PolarHBondContact O-N 3.28Å; K678-V682 VanDerWaalsContact O-N 3.11Å | ||
| 679 | I | 91.8 | Very high | 90.5 | Very high | 128 Ų | 128 | 91.8 Ų | 91.8 | 66% | 0.656 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.2 | -30.8 | -177.9 | -62 | 172.5 | 0 | 0 | 0 | 111 | D681 K683 | I679-D681 VanDerWaalsContact C-N 3.32Å; I679-D681 PolarHBondContact O-N 3.22Å; I679-K683 HydrophobicContact CG2-CD 4.31Å; I679-K683 WeakPolarHBondContact O-CB 3.3Å; I679-K683 WeakPolarHBondContact O-CG 3.18Å; I679-K683 PolarHBondContact O-N 3.32Å; I679-K683 VanDerWaalsContact O-N 3.09Å |
| 680 | S | 90.2 | Very high | 89.9 | Confident | 70 Ų | 70 | 95.6 Ų | 95.6 | 49% | 0.49 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -52.7 | -49.7 | 167.9 | 46.5 | 0 | 0 | 0 | 0 | 112 | K678 K683 K684 | K678-S680 WeakPolarHBondContact CB-OG 3.36Å; K678-S680 PolarHBondContact O-N 2.99Å; S680-K683 PolarHBondContact O-N 3.03Å; S680-K684 WeakPolarHBondContact O-CB 3.47Å; S680-K684 PolarHBondContact O-N 2.97Å |
| 681 | D | 90.6 | Very high | 89.2 | Confident | 88 Ų | 88 | 103.2 Ų | 103.2 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -76.5 | -37.3 | -168.5 | -50.6 | -4.8 | 0 | 0 | 0 | 109.9 | K678 I679 K684 E685 | K678-D681 HydrophobicContact CB-CB 4.48Å; K678-D681 PolarHBondContact O-N 3.18Å; I679-D681 VanDerWaalsContact C-N 3.32Å; I679-D681 PolarHBondContact O-N 3.22Å; D681-K684 PolarHBondContact O-N 3.44Å; D681-E685 VanDerWaalsContact O-CB 3.3Å; D681-E685 WeakPolarHBondContact O-CB 3.46Å; D681-E685 PolarHBondContact O-N 2.9Å |
| 682 | V | 92.6 | Very high | 88.1 | Confident | 53 Ų | 53 | 107 Ų | 107 | 32% | 0.321 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 172.3 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | R677 K678 E685 E686 | R677-V682 HydrophobicContact CB-CG2 3.79Å; K678-V682 PolarHBondContact O-N 3.28Å; K678-V682 VanDerWaalsContact O-N 3.11Å; V682-E685 PolarHBondContact O-N 3.47Å; V682-E686 WeakPolarHBondContact O-CB 3.25Å; V682-E686 PolarHBondContact O-N 2.86Å |
| 683 | K | 91.4 | Very high | 86.9 | Confident | 142 Ų | 142 | 108.7 Ų | 108.7 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 175 | -76 | 178.5 | 177.7 | -176.5 | 0 | 112.1 | I679 S680 E686 E687 | I679-K683 HydrophobicContact CG2-CD 4.31Å; I679-K683 WeakPolarHBondContact O-CB 3.3Å; I679-K683 WeakPolarHBondContact O-CG 3.18Å; I679-K683 PolarHBondContact O-N 3.32Å; I679-K683 VanDerWaalsContact O-N 3.09Å; S680-K683 PolarHBondContact O-N 3.03Å; K683-E686 PolarHBondContact O-N 2.98Å; K683-E687 PolarHBondContact O-N 3.46Å |
| 684 | K | 92.3 | Very high | 85.4 | Confident | 124 Ų | 124 | 108.9 Ų | 108.9 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 176 | -171.5 | 174.1 | -175.7 | -82 | 0 | 111.9 | S680 D681 E686 E687 E688 | S680-K684 WeakPolarHBondContact O-CB 3.47Å; S680-K684 PolarHBondContact O-N 2.97Å; D681-K684 PolarHBondContact O-N 3.44Å; K684-E686 VanDerWaalsContact C-N 3.27Å; K684-E686 PolarHBondContact O-N 3.43Å; K684-E687 PolarHBondContact O-N 2.85Å; K684-E688 WeakPolarHBondContact CE-OE1 3.44Å; K684-E688 IonicContact NZ-OE1 3.78Å; K684-E688 PolarHBondContact NZ-OE1 3.15Å; K684-E688 WeakPolarHBondContact O-CB 3.44Å; K684-E688 WeakPolarHBondContact O-CG 3.28Å; K684-E688 PolarHBondContact O-N 2.74Å |
| 685 | E | 89.9 | Confident | 83.8 | Confident | 69 Ų | 69 | 112 Ų | 112 | 32% | 0.322 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 173.5 | -163.1 | -156.6 | 113.6 | 0 | 0 | 111.1 | R677 D681 V682 R689 | R677-E685 IonicContact CZ-OE2 3.83Å; R677-E685 IonicContact NH1-OE1 2.69Å; R677-E685 IonicContact NH1-OE2 3.59Å; R677-E685 PolarHBondContact NH1-OE2 3.11Å; D681-E685 VanDerWaalsContact O-CB 3.3Å; D681-E685 WeakPolarHBondContact O-CB 3.46Å; D681-E685 PolarHBondContact O-N 2.9Å; V682-E685 PolarHBondContact O-N 3.47Å; E685-R689 VanDerWaalsContact O-CB 3.26Å; E685-R689 WeakPolarHBondContact O-CB 3.46Å; E685-R689 VanDerWaalsContact O-CG 3.25Å; E685-R689 WeakPolarHBondContact O-CG 3.31Å; E685-R689 PolarHBondContact O-N 2.89Å; E685-R689 IonicContact OE1-CZ 3.1Å; E685-R689 IonicContact OE1-NE 3.64Å; E685-R689 PolarHBondContact OE1-NE 3.34Å; E685-R689 IonicContact OE1-NH2 3.45Å; E685-R689 PolarHBondContact OE1-NH2 3.38Å |
| 686 | E | 89.1 | Confident | 82.1 | Confident | 103 Ų | 103 | 111 Ų | 111 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 174.8 | -176.3 | 154.4 | -123.4 | 0 | 0 | 112.9 | V682 K683 K684 R689 L690 | V682-E686 WeakPolarHBondContact O-CB 3.25Å; V682-E686 PolarHBondContact O-N 2.86Å; K683-E686 PolarHBondContact O-N 2.98Å; K684-E686 VanDerWaalsContact C-N 3.27Å; K684-E686 PolarHBondContact O-N 3.43Å; E686-R689 PolarHBondContact O-N 3.38Å; E686-L690 WeakPolarHBondContact O-CG 3.24Å; E686-L690 PolarHBondContact O-N 3.03Å |
| 687 | E | 88.4 | Confident | 80.2 | Confident | 93 Ų | 93 | 113.9 Ų | 113.9 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 172.7 | -160.8 | -161.3 | 143.4 | 0 | 0 | 111.7 | K683 K684 L690 R691 | K683-E687 PolarHBondContact O-N 3.46Å; K684-E687 PolarHBondContact O-N 2.85Å; E687-L690 WeakPolarHBondContact O-CB 3.13Å; E687-L690 PolarHBondContact O-N 2.92Å; E687-L690 VanDerWaalsContact O-N 3.13Å; E687-R691 WeakPolarHBondContact O-CG 3.33Å; E687-R691 PolarHBondContact O-N 3.42Å; E687-R691 IonicContact OE1-CZ 3.13Å; E687-R691 IonicContact OE1-NE 2.68Å; E687-R691 PolarHBondContact OE1-NE 2.95Å; E687-R691 IonicContact OE1-NH2 2.71Å; E687-R691 PolarHBondContact OE1-NH2 2.89Å |
| 688 | E | 85.4 | Confident | 78.6 | Confident | 79 Ų | 79 | 113.7 Ų | 113.7 | 37% | 0.369 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.8 | -39.4 | 173.7 | -74.4 | 175.9 | -164.9 | 0 | 0 | 111.4 | K684 L690 R691 Q692 | K684-E688 WeakPolarHBondContact CE-OE1 3.44Å; K684-E688 IonicContact NZ-OE1 3.78Å; K684-E688 PolarHBondContact NZ-OE1 3.15Å; K684-E688 WeakPolarHBondContact O-CB 3.44Å; K684-E688 WeakPolarHBondContact O-CG 3.28Å; K684-E688 PolarHBondContact O-N 2.74Å; E688-L690 VanDerWaalsContact C-N 3.3Å; E688-L690 PolarHBondContact O-N 3.44Å; E688-R691 PolarHBondContact O-N 2.9Å; E688-Q692 WeakPolarHBondContact O-CB 3.19Å; E688-Q692 VanDerWaalsContact O-CG 3.27Å; E688-Q692 WeakPolarHBondContact O-CG 3.19Å; E688-Q692 PolarHBondContact O-N 3.46Å |
| 689 | R | 83.4 | Confident | 76.7 | Confident | 103 Ų | 103 | 116.7 Ų | 116.7 | 39% | 0.389 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.2 | -28.8 | 171.3 | -81.2 | -171.5 | -94.5 | 108 | -9.2 | 113.2 | E685 E686 K693 | E685-R689 VanDerWaalsContact O-CB 3.26Å; E685-R689 WeakPolarHBondContact O-CB 3.46Å; E685-R689 VanDerWaalsContact O-CG 3.25Å; E685-R689 WeakPolarHBondContact O-CG 3.31Å; E685-R689 PolarHBondContact O-N 2.89Å; E685-R689 IonicContact OE1-CZ 3.1Å; E685-R689 IonicContact OE1-NE 3.64Å; E685-R689 PolarHBondContact OE1-NE 3.34Å; E685-R689 IonicContact OE1-NH2 3.45Å; E685-R689 PolarHBondContact OE1-NH2 3.38Å; E686-R689 PolarHBondContact O-N 3.38Å; R689-K693 WeakPolarHBondContact O-CG 3.37Å |
| 690 | L | 80 | Confident | 75.2 | Confident | 102 Ų | 102 | 116.1 Ų | 116.1 | 53% | 0.534 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.4 | -38.7 | 172.9 | -73.4 | 168.9 | 0 | 0 | 0 | 111.8 | E686 E687 E688 | E686-L690 WeakPolarHBondContact O-CG 3.24Å; E686-L690 PolarHBondContact O-N 3.03Å; E687-L690 WeakPolarHBondContact O-CB 3.13Å; E687-L690 PolarHBondContact O-N 2.92Å; E687-L690 VanDerWaalsContact O-N 3.13Å; E688-L690 VanDerWaalsContact C-N 3.3Å; E688-L690 PolarHBondContact O-N 3.44Å |
| 691 | R | 77 | Confident | 73.9 | Confident | 163 Ų | 163 | 117.1 Ų | 117.1 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.6 | -45.7 | 173.1 | -69.7 | 167.7 | 177.5 | -117.1 | 7.4 | 111.6 | E687 E688 K693 N694 | E687-R691 WeakPolarHBondContact O-CG 3.33Å; E687-R691 PolarHBondContact O-N 3.42Å; E687-R691 IonicContact OE1-CZ 3.13Å; E687-R691 IonicContact OE1-NE 2.68Å; E687-R691 PolarHBondContact OE1-NE 2.95Å; E687-R691 IonicContact OE1-NH2 2.71Å; E687-R691 PolarHBondContact OE1-NH2 2.89Å; E688-R691 PolarHBondContact O-N 2.9Å; R691-K693 PolarHBondContact O-N 3.34Å; R691-N694 WeakPolarHBondContact O-CB 3.43Å; R691-N694 PolarHBondContact O-N 3.48Å |
| 692 | Q | 68.6 | Low | 72.5 | Confident | 121 Ų | 121 | 118.2 Ų | 118.2 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64 | -21.8 | 179.9 | -76.5 | 174.5 | 8.3 | 0 | 0 | 114.1 | E688 N694 E695 | E688-Q692 WeakPolarHBondContact O-CB 3.19Å; E688-Q692 VanDerWaalsContact O-CG 3.27Å; E688-Q692 WeakPolarHBondContact O-CG 3.19Å; E688-Q692 PolarHBondContact O-N 3.46Å; Q692-N694 PolarHBondContact O-N 2.87Å; Q692-N694 VanDerWaalsContact O-N 3.15Å; Q692-E695 PolarHBondContact O-N 3.27Å; Q692-E695 VanDerWaalsContact O-N 3.17Å |
| 693 | K | 64.7 | Low | 70.9 | Confident | 165 Ų | 165 | 121.3 Ų | 121.3 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -13.2 | 172.1 | -79.3 | 174.1 | 179.9 | 178.5 | 0 | 113.5 | R689 R691 | R689-K693 WeakPolarHBondContact O-CG 3.37Å; R691-K693 PolarHBondContact O-N 3.34Å |
| 694 | N | 59.6 | Low | 70 | Confident | 144 Ų | 144 | 118.1 Ų | 118.1 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 1.2 | 177.8 | -61 | -18 | 0 | 0 | 0 | 113.4 | R691 Q692 | R691-N694 WeakPolarHBondContact O-CB 3.43Å; R691-N694 PolarHBondContact O-N 3.48Å; Q692-N694 PolarHBondContact O-N 2.87Å; Q692-N694 VanDerWaalsContact O-N 3.15Å |
| 695 | E | 58.8 | Low | 69.4 | Low | 151 Ų | 151 | 116.6 Ų | 116.6 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -116.6 | 151.5 | 179.4 | -70.1 | -168.5 | 135.4 | 0 | 0 | 112.7 | Q692 | Q692-E695 PolarHBondContact O-N 3.27Å; Q692-E695 VanDerWaalsContact O-N 3.17Å |
| 696 | V | 53.4 | Low | 68.8 | Low | 141 Ų | 141 | 116.5 Ų | 116.5 | 86% | 0.855 | 61% | 0.607 | S | S | * | * | trans | -82.9 | 129.5 | -173.1 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | L698 | V696-L698 PolarHBondContact O-N 3.33Å; V696-L698 VanDerWaalsContact O-N 3.11Å | ||
| 697 | T | 52.8 | Low | 68.1 | Low | 135 Ų | 135 | 118.6 Ų | 118.6 | 83% | 0.828 | 61% | 0.611 | S | S | * | * | trans | -68.9 | 104.2 | -176.9 | -42 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 698 | L | 58.3 | Low | 67.6 | Low | 163 Ų | 163 | 119 Ų | 119 | 85% | 0.853 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 124.1 | 170.6 | -77.3 | 165.8 | 0 | 0 | 0 | 111.4 | V696 | V696-L698 PolarHBondContact O-N 3.33Å; V696-L698 VanDerWaalsContact O-N 3.11Å |
| 699 | S | 53.2 | Low | 67.3 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 116.7 | 179.8 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 700 | I | 59.8 | Low | 67.2 | Low | 115 Ų | 115 | 121.6 Ų | 121.6 | 59% | 0.59 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.9 | -176.3 | -58.9 | 175.6 | 0 | 0 | 0 | 110.7 | H704 | I700-H704 HydrophobicContact CG2-CB 3.5Å; I700-H704 VanDerWaalsContact CG2-CG 3.45Å |
| 701 | P | 63.3 | Low | 67.1 | Low | 91 Ų | 91 | 122.9 Ų | 122.9 | 59% | 0.591 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -57 | 151.9 | 178.6 | -28 | 36 | 0 | 0 | 0 | 114.7 | D703 H704 | P701-D703 VanDerWaalsContact C-N 3.32Å; P701-D703 PolarHBondContact O-N 2.99Å; P701-H704 VanDerWaalsContact O-CB 3.25Å; P701-H704 WeakPolarHBondContact O-CB 3.47Å; P701-H704 PolarHBondContact O-N 3.48Å |
| 702 | V | 59.7 | Low | 67.3 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -35.7 | -170.3 | -160.3 | 0 | 0 | 0 | 0 | 113 | H704 R707 | V702-H704 VanDerWaalsContact C-N 3.32Å; V702-H704 PolarHBondContact O-N 2.59Å; V702-R707 WeakPolarHBondContact O-CD 3.47Å |
| 703 | D | 59.3 | Low | 67.7 | Low | 118 Ų | 118 | 122 Ų | 122 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -3.7 | -177.1 | -101.5 | -63.3 | 0 | 0 | 0 | 115.5 | P701 K708 | P701-D703 VanDerWaalsContact C-N 3.32Å; P701-D703 PolarHBondContact O-N 2.99Å; D703-K708 PolarHBondContact O-NZ 2.71Å; D703-K708 IonicContact OD1-NZ 3.53Å; D703-K708 PolarHBondContact OD1-NZ 2.66Å |
| 704 | H | 72.1 | Confident | 68.5 | Low | 74 Ų | 74 | 120.1 Ų | 120.1 | 34% | 0.343 | 62% | 0.622 | S | S | . | * | trans | -55.3 | 132.5 | -170.5 | -166.6 | -108.1 | 0 | 0 | 0 | 112.2 | I700 P701 V702 V706 R707 | I700-H704 HydrophobicContact CG2-CB 3.5Å; I700-H704 VanDerWaalsContact CG2-CG 3.45Å; P701-H704 VanDerWaalsContact O-CB 3.25Å; P701-H704 WeakPolarHBondContact O-CB 3.47Å; P701-H704 PolarHBondContact O-N 3.48Å; V702-H704 VanDerWaalsContact C-N 3.32Å; V702-H704 PolarHBondContact O-N 2.59Å; H704-V706 PolarHBondContact O-N 3.05Å; H704-V706 VanDerWaalsContact O-N 3.08Å; H704-R707 WeakPolarHBondContact O-CB 3.37Å; H704-R707 PolarHBondContact O-N 3.15Å | ||
| 705 | P | 79.9 | Confident | 69.4 | Low | 93 Ų | 93 | 118.8 Ų | 118.8 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.3 | -30.3 | -170.4 | 21.3 | -33.6 | 0 | 0 | 0 | 113.5 | R707 K708 L709 | P705-R707 VanDerWaalsContact C-N 3.29Å; P705-R707 PolarHBondContact O-N 3.28Å; P705-K708 PolarHBondContact O-N 2.83Å; P705-L709 PolarHBondContact O-N 3.41Å |
| 706 | V | 77.1 | Confident | 70.2 | Confident | 66 Ų | 66 | 117.6 Ų | 117.6 | 40% | 0.4 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.7 | -35.6 | 174.5 | 178.7 | 0 | 0 | 0 | 0 | 112 | H704 L709 F710 | H704-V706 PolarHBondContact O-N 3.05Å; H704-V706 VanDerWaalsContact O-N 3.08Å; V706-L709 WeakPolarHBondContact O-CB 3.47Å; V706-L709 PolarHBondContact O-N 2.95Å; V706-F710 HydrophobicContact CG1-CD2 3.76Å; V706-F710 HydrophobicContact CG1-CE2 3.71Å; V706-F710 WeakPolarHBondContact O-CD2 3.29Å; V706-F710 PolarHBondContact O-N 3.46Å |
| 707 | R | 76 | Confident | 71.2 | Confident | 148 Ų | 148 | 117.8 Ų | 117.8 | 56% | 0.558 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.8 | -40.1 | 177.8 | -164.8 | 174 | -174 | 148.9 | -1.5 | 111.3 | V702 H704 P705 L709 F710 Q711 | V702-R707 WeakPolarHBondContact O-CD 3.47Å; H704-R707 WeakPolarHBondContact O-CB 3.37Å; H704-R707 PolarHBondContact O-N 3.15Å; P705-R707 VanDerWaalsContact C-N 3.29Å; P705-R707 PolarHBondContact O-N 3.28Å; R707-L709 VanDerWaalsContact C-N 3.32Å; R707-F710 PolarHBondContact O-N 2.81Å; R707-Q711 WeakPolarHBondContact O-CB 3.19Å; R707-Q711 PolarHBondContact O-N 3.43Å |
| 708 | K | 76.5 | Confident | 72.2 | Confident | 100 Ų | 100 | 115.3 Ų | 115.3 | 44% | 0.435 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -34.4 | 172.6 | -70 | 164.6 | -179.2 | 153.3 | 0 | 111.6 | D703 P705 Q711 K712 | D703-K708 PolarHBondContact O-NZ 2.71Å; D703-K708 IonicContact OD1-NZ 3.53Å; D703-K708 PolarHBondContact OD1-NZ 2.66Å; P705-K708 PolarHBondContact O-N 2.83Å; K708-Q711 PolarHBondContact O-N 2.83Å; K708-K712 PolarHBondContact O-N 3.32Å |
| 709 | L | 80.9 | Confident | 72.2 | Confident | 89 Ų | 89 | 113.3 Ų | 113.3 | 47% | 0.466 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.6 | -46.8 | 173.4 | -176.3 | 63 | 0 | 0 | 0 | 112.4 | P705 V706 R707 Q711 K712 F713 | P705-L709 PolarHBondContact O-N 3.41Å; V706-L709 WeakPolarHBondContact O-CB 3.47Å; V706-L709 PolarHBondContact O-N 2.95Å; R707-L709 VanDerWaalsContact C-N 3.32Å; L709-Q711 VanDerWaalsContact C-N 3.27Å; L709-Q711 PolarHBondContact O-N 3.41Å; L709-K712 WeakPolarHBondContact O-CB 3.35Å; L709-K712 PolarHBondContact O-N 3.11Å; L709-F713 HydrophobicContact CD1-CD2 4.14Å; L709-F713 HydrophobicContact CD1-CE2 3.74Å; L709-F713 HydrophobicContact CD1-CZ 4.45Å; L709-F713 HydrophobicContact CD2-CE2 4.18Å; L709-F713 HydrophobicContact CG-CD2 3.95Å; L709-F713 HydrophobicContact CG-CE2 3.72Å; L709-F713 WeakPolarHBondContact O-CD2 3.26Å; L709-F713 PolarHBondContact O-N 3.4Å |
| 710 | F | 79.9 | Confident | 72.3 | Confident | 149 Ų | 149 | 117.8 Ų | 117.8 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.1 | -38.3 | 172.8 | -88.7 | -74.6 | 0 | 0 | 0 | 112.3 | V706 R707 F713 K714 | V706-F710 HydrophobicContact CG1-CD2 3.76Å; V706-F710 HydrophobicContact CG1-CE2 3.71Å; V706-F710 WeakPolarHBondContact O-CD2 3.29Å; V706-F710 PolarHBondContact O-N 3.46Å; R707-F710 PolarHBondContact O-N 2.81Å; F710-F713 PolarHBondContact O-N 3.39Å; F710-K714 WeakPolarHBondContact O-CB 3.37Å; F710-K714 PolarHBondContact O-N 2.79Å |
| 711 | Q | 78.2 | Confident | 72 | Confident | 129 Ų | 129 | 116.9 Ų | 116.9 | 60% | 0.603 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.5 | -39.3 | 176.8 | -163.7 | 169.1 | 7.2 | 0 | 0 | 112.1 | R707 K708 L709 K714 Q715 | R707-Q711 WeakPolarHBondContact O-CB 3.19Å; R707-Q711 PolarHBondContact O-N 3.43Å; K708-Q711 PolarHBondContact O-N 2.83Å; L709-Q711 VanDerWaalsContact C-N 3.27Å; L709-Q711 PolarHBondContact O-N 3.41Å; Q711-K714 PolarHBondContact O-N 3.33Å; Q711-Q715 PolarHBondContact O-N 2.99Å |
| 712 | K | 80.4 | Confident | 71.1 | Confident | 148 Ų | 148 | 118.9 Ų | 118.9 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62 | -46.6 | 169.9 | -77.4 | -174.4 | 175.9 | -173.5 | 0 | 112.4 | K708 L709 K714 Q715 Q716 | K708-K712 PolarHBondContact O-N 3.32Å; L709-K712 WeakPolarHBondContact O-CB 3.35Å; L709-K712 PolarHBondContact O-N 3.11Å; K712-K714 VanDerWaalsContact C-N 3.29Å; K712-K714 PolarHBondContact O-N 3.41Å; K712-Q715 PolarHBondContact O-N 3.02Å; K712-Q716 WeakPolarHBondContact O-CB 3.42Å; K712-Q716 PolarHBondContact O-N 2.9Å |
| 713 | F | 78.6 | Confident | 70.3 | Confident | 116 Ų | 116 | 116.8 Ų | 116.8 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.2 | -35.8 | 176.1 | -80.9 | -58.2 | 0 | 0 | 0 | 112.5 | L709 F710 Q716 K717 | L709-F713 HydrophobicContact CD1-CD2 4.14Å; L709-F713 HydrophobicContact CD1-CE2 3.74Å; L709-F713 HydrophobicContact CD1-CZ 4.45Å; L709-F713 HydrophobicContact CD2-CE2 4.18Å; L709-F713 HydrophobicContact CG-CD2 3.95Å; L709-F713 HydrophobicContact CG-CE2 3.72Å; L709-F713 WeakPolarHBondContact O-CD2 3.26Å; L709-F713 PolarHBondContact O-N 3.4Å; F710-F713 PolarHBondContact O-N 3.39Å; F713-Q716 PolarHBondContact O-N 2.89Å; F713-K717 WeakPolarHBondContact O-CB 3.44Å; F713-K717 PolarHBondContact O-N 3Å |
| 714 | K | 81 | Confident | 69.3 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.5 | -48.5 | 174.1 | -166.7 | 176.8 | -173.4 | -86.8 | 0 | 111.4 | F710 Q711 K712 Q716 K717 E718 | F710-K714 WeakPolarHBondContact O-CB 3.37Å; F710-K714 PolarHBondContact O-N 2.79Å; Q711-K714 PolarHBondContact O-N 3.33Å; K712-K714 VanDerWaalsContact C-N 3.29Å; K712-K714 PolarHBondContact O-N 3.41Å; K714-Q716 VanDerWaalsContact C-N 3.34Å; K714-Q716 PolarHBondContact O-N 3.42Å; K714-K717 WeakPolarHBondContact O-CB 3.48Å; K714-K717 PolarHBondContact O-N 3.39Å; K714-E718 WeakPolarHBondContact CE-OE1 3.5Å; K714-E718 WeakPolarHBondContact CG-OE1 3.49Å; K714-E718 IonicContact NZ-OE1 2.66Å; K714-E718 PolarHBondContact NZ-OE1 3.18Å; K714-E718 WeakPolarHBondContact O-CB 3.43Å; K714-E718 WeakPolarHBondContact O-CG 3.46Å; K714-E718 PolarHBondContact O-N 2.93Å |
| 715 | Q | 78.2 | Confident | 67.5 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 54% | 0.542 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.8 | -42.2 | 174 | -78.6 | -176.5 | -39.5 | 0 | 0 | 112.3 | Q711 K712 K717 E718 L719 | Q711-Q715 PolarHBondContact O-N 2.99Å; K712-Q715 PolarHBondContact O-N 3.02Å; Q715-K717 VanDerWaalsContact C-N 3.31Å; Q715-K717 PolarHBondContact O-N 3.31Å; Q715-E718 PolarHBondContact O-N 3.29Å; Q715-L719 WeakPolarHBondContact O-CB 3.44Å; Q715-L719 VanDerWaalsContact O-CG 3.29Å; Q715-L719 WeakPolarHBondContact O-CG 3.36Å; Q715-L719 PolarHBondContact O-N 2.99Å |
| 716 | Q | 75.6 | Confident | 65.4 | Low | 126 Ų | 126 | 122.2 Ų | 122.2 | 59% | 0.589 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.5 | -36 | 177.8 | -166.9 | 178.9 | 15.3 | 0 | 0 | 112 | K712 F713 K714 R720 | K712-Q716 WeakPolarHBondContact O-CB 3.42Å; K712-Q716 PolarHBondContact O-N 2.9Å; F713-Q716 PolarHBondContact O-N 2.89Å; K714-Q716 VanDerWaalsContact C-N 3.34Å; K714-Q716 PolarHBondContact O-N 3.42Å; Q716-R720 VanDerWaalsContact O-CB 3.28Å; Q716-R720 WeakPolarHBondContact O-CB 3.48Å; Q716-R720 PolarHBondContact O-N 3.13Å |
| 717 | K | 73.7 | Confident | 63.4 | Low | 144 Ų | 144 | 122.3 Ų | 122.3 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.5 | -41.8 | 172.5 | -174 | 179.1 | -179.7 | -179.8 | 0 | 112 | F713 K714 Q715 R720 N721 | F713-K717 WeakPolarHBondContact O-CB 3.44Å; F713-K717 PolarHBondContact O-N 3Å; K714-K717 WeakPolarHBondContact O-CB 3.48Å; K714-K717 PolarHBondContact O-N 3.39Å; Q715-K717 VanDerWaalsContact C-N 3.31Å; Q715-K717 PolarHBondContact O-N 3.31Å; K717-R720 PolarHBondContact O-N 3.32Å; K717-N721 WeakPolarHBondContact O-CB 3.42Å; K717-N721 PolarHBondContact O-N 3.15Å; K717-N721 PolarHBondContact O-OD1 2.97Å |
| 718 | E | 74.3 | Confident | 61 | Low | 84 Ų | 84 | 122.9 Ų | 122.9 | 39% | 0.393 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.7 | -44.5 | 178.1 | -73.7 | 164.2 | 173.5 | 0 | 0 | 111.5 | K714 Q715 N721 Q722 | K714-E718 WeakPolarHBondContact CE-OE1 3.5Å; K714-E718 WeakPolarHBondContact CG-OE1 3.49Å; K714-E718 IonicContact NZ-OE1 2.66Å; K714-E718 PolarHBondContact NZ-OE1 3.18Å; K714-E718 WeakPolarHBondContact O-CB 3.43Å; K714-E718 WeakPolarHBondContact O-CG 3.46Å; K714-E718 PolarHBondContact O-N 2.93Å; Q715-E718 PolarHBondContact O-N 3.29Å; E718-N721 PolarHBondContact O-N 2.9Å; E718-Q722 WeakPolarHBondContact O-CG 3.21Å; E718-Q722 PolarHBondContact O-N 3.49Å |
| 719 | L | 59 | Low | 59 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 63% | 0.628 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.7 | -44.1 | 172.5 | -72.7 | 165.3 | 0 | 0 | 0 | 112.1 | Q715 N721 Q722 G723 | Q715-L719 WeakPolarHBondContact O-CB 3.44Å; Q715-L719 VanDerWaalsContact O-CG 3.29Å; Q715-L719 WeakPolarHBondContact O-CG 3.36Å; Q715-L719 PolarHBondContact O-N 2.99Å; L719-N721 VanDerWaalsContact C-N 3.31Å; L719-N721 PolarHBondContact O-N 3.37Å; L719-Q722 PolarHBondContact O-N 2.78Å; L719-G723 PolarHBondContact O-N 3.33Å; L719-G723 VanDerWaalsContact O-N 3.13Å |
| 720 | R | 56.1 | Low | 56.8 | Low | 209 Ų | 209 | 129.2 Ų | 129.2 | 79% | 0.789 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.4 | -36.5 | 176.8 | -173.8 | 174.7 | 179.4 | 178.2 | -0 | 112.3 | Q716 K717 | Q716-R720 VanDerWaalsContact O-CB 3.28Å; Q716-R720 WeakPolarHBondContact O-CB 3.48Å; Q716-R720 PolarHBondContact O-N 3.13Å; K717-R720 PolarHBondContact O-N 3.32Å |
| 721 | N | 51.8 | Low | 54.5 | Low | 95 Ų | 95 | 133.8 Ų | 133.8 | 51% | 0.508 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -73 | -35.5 | 176.4 | -80.9 | 24.6 | 0 | 0 | 0 | 112.9 | K717 E718 L719 G723 S724 | K717-N721 WeakPolarHBondContact O-CB 3.42Å; K717-N721 PolarHBondContact O-N 3.15Å; K717-N721 PolarHBondContact O-OD1 2.97Å; E718-N721 PolarHBondContact O-N 2.9Å; L719-N721 VanDerWaalsContact C-N 3.31Å; L719-N721 PolarHBondContact O-N 3.37Å; N721-G723 VanDerWaalsContact C-N 3.33Å; N721-S724 PolarHBondContact O-N 3.16Å; N721-S724 PolarHBondContact O-OG 3.26Å |
| 722 | Q | 44.6 | Very low | 52.2 | Low | 134 Ų | 134 | 135.5 Ų | 135.5 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.9 | -34.7 | 175.4 | -73.8 | 176.4 | -1.5 | 0 | 0 | 112.1 | E718 L719 S724 T725 | E718-Q722 WeakPolarHBondContact O-CG 3.21Å; E718-Q722 PolarHBondContact O-N 3.49Å; L719-Q722 PolarHBondContact O-N 2.78Å; Q722-S724 PolarHBondContact O-N 3.13Å; Q722-T725 PolarHBondContact O-N 3.37Å; Q722-T725 PolarHBondContact O-OG1 3.17Å |
| 723 | G | 43.2 | Very low | 49.8 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -19.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L719 N721 | L719-G723 PolarHBondContact O-N 3.33Å; L719-G723 VanDerWaalsContact O-N 3.13Å; N721-G723 VanDerWaalsContact C-N 3.33Å |
| 724 | S | 38.7 | Very low | 47.4 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 10.7 | 176.5 | 47.1 | 0 | 0 | 0 | 0 | 114.9 | N721 Q722 | N721-S724 PolarHBondContact O-N 3.16Å; N721-S724 PolarHBondContact O-OG 3.26Å; Q722-S724 PolarHBondContact O-N 3.13Å |
| 725 | T | 33.1 | Very low | 44.9 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -117.6 | 21.1 | -177.2 | 36.8 | 0 | 0 | 0 | 0 | 115.2 | Q722 | Q722-T725 PolarHBondContact O-N 3.37Å; Q722-T725 PolarHBondContact O-OG1 3.17Å |
| 726 | Q | 36.1 | Very low | 42.4 | Very low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -124.3 | 92.7 | 165.5 | -80.1 | -169.6 | -30.7 | 0 | 0 | 110.7 | ||
| 727 | G | 35.4 | Very low | 40 | Very low | 67 Ų | 67 | 144.8 Ų | 144.8 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 160.5 | 60.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 728 | D | 26.7 | Very low | 37.7 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | 162.8 | 104.8 | 145.6 | -88.6 | -12.3 | 0 | 0 | 0 | 111 | ||||
| 729 | P | 34.7 | Very low | 35.3 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -102 | 28.8 | 177 | 39.3 | -34 | 0 | 0 | 0 | 113.8 | ||||
| 730 | E | 34.6 | Very low | 33.6 | Very low | 185 Ų | 185 | 148.9 Ų | 148.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -142.1 | 60.4 | -171.4 | -151.6 | 171.7 | -109.3 | 0 | 0 | 116.7 | ||||
| 731 | R | 30.4 | Very low | 32.1 | Very low | 245 Ų | 245 | 146 Ų | 146 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -160.9 | 111.6 | 142.8 | -127.3 | 172 | 175.7 | 159.7 | -1.4 | 113.3 | ||||
| 732 | N | 29.6 | Very low | 31 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -148.3 | 75.1 | 171.8 | -149 | 4.6 | 0 | 0 | 0 | 111.9 | ||||
| 733 | Q | 31.1 | Very low | 30.2 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -171.3 | 106.6 | 157.5 | -110.6 | 172.9 | 36 | 0 | 0 | 110.8 | ||||
| 734 | L | 27.9 | Very low | 29.4 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | -168.6 | 142 | 116.3 | -100.9 | 166.7 | 0 | 0 | 0 | 108.8 | |||||
| 735 | Q | 27.2 | Very low | 28.8 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -120.4 | 125 | -165 | -179.3 | -178.2 | 11.6 | 0 | 0 | 109.4 | ||||
| 736 | V | 27.4 | Very low | 28.5 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -133.8 | 141.2 | 167.3 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 737 | E | 24.1 | Very low | 28.2 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 61% | 0.612 | 81% | 0.812 | S | S | * | * | trans | -107.7 | 145.2 | -163 | -176.1 | -178.5 | -171.7 | 0 | 0 | 112.1 | R739 | E737-R739 HydrophobicContact CG-CG 4.34Å; E737-R739 IonicContact OE1-CZ 3.31Å; E737-R739 IonicContact OE1-NE 2.66Å; E737-R739 PolarHBondContact OE1-NE 3.28Å; E737-R739 IonicContact OE1-NH2 2.81Å; E737-R739 PolarHBondContact OE1-NH2 3.47Å | ||
| 738 | S | 25.5 | Very low | 27.8 | Very low | 123 Ų | 123 | 151 Ų | 151 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -152.2 | 138.7 | 158.3 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 739 | R | 23.4 | Very low | 27.7 | Very low | 206 Ų | 206 | 146.1 Ų | 146.1 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -121.1 | 142.5 | -167.1 | -60.9 | 178.1 | -179 | 176.7 | 3.4 | 114.2 | E737 | E737-R739 HydrophobicContact CG-CG 4.34Å; E737-R739 IonicContact OE1-CZ 3.31Å; E737-R739 IonicContact OE1-NE 2.66Å; E737-R739 PolarHBondContact OE1-NE 3.28Å; E737-R739 IonicContact OE1-NH2 2.81Å; E737-R739 PolarHBondContact OE1-NH2 3.47Å | ||
| 740 | S | 24.9 | Very low | 27.4 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -161.9 | 120.5 | 143.9 | 50.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 741 | L | 24.4 | Very low | 27.1 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 56.5 | 127.4 | 73.8 | -61.4 | 165.3 | 0 | 0 | 0 | 111 | |||||
| 742 | Q | 28.8 | Very low | 27 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | cis | -161.9 | 156.9 | 18.8 | -139.2 | 176.5 | 0.8 | 0 | 0 | 112.6 | ||||
| 743 | N | 27.3 | Very low | 27.1 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | 61.7 | 142.1 | 159.8 | -55.7 | -27.1 | 0 | 0 | 0 | 119.5 | ||||
| 744 | G | 26.2 | Very low | 26.9 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -173.7 | 170 | -2.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 745 | A | 26.8 | Very low | 27.1 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -37.6 | 162.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 746 | S | 25.8 | Very low | 27.1 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | -167.7 | -175.8 | -3.2 | 40 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 747 | I | 30 | Very low | 27.2 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | cis | -159.3 | 162.6 | 45.8 | -68.3 | 178.7 | 0 | 0 | 0 | 110.6 | ||||
| 748 | T | 26.4 | Very low | 27.4 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -59.2 | 168.5 | 171.6 | 48.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 749 | G | 26.2 | Very low | 27.6 | Very low | 58 Ų | 58 | 129.8 Ų | 129.8 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | cis | 146.9 | 163.1 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 750 | T | 26.9 | Very low | 28.5 | Very low | 144 Ų | 144 | 125.5 Ų | 125.5 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | 59.6 | 153.9 | 166.6 | 47.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 751 | S | 28.6 | Very low | 28.8 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | cis | -172.2 | -173.9 | -20.7 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 752 | V | 27.8 | Very low | 28.9 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | 91.5 | 98.5 | 163.2 | -166.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 753 | V | 32.5 | Very low | 28.7 | Very low | 119 Ų | 119 | 127 Ų | 127 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | 32.9 | 131.6 | 124.3 | -174.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 754 | T | 27.7 | Very low | 28.7 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -153.7 | 161.4 | 133.2 | -8.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 755 | V | 31.5 | Very low | 28.8 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -142.4 | 141.2 | -171.8 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 756 | S | 27.2 | Very low | 28.9 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -155.9 | 169.6 | 156.6 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 757 | Q | 29.3 | Very low | 28.8 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -119.3 | 169.7 | -158.5 | -59 | 166 | -37.9 | 0 | 0 | 113.4 | ||||
| 758 | I | 28.3 | Very low | 28.5 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | 168.5 | 146.5 | 120 | -84.7 | 155.1 | 0 | 0 | 0 | 111.1 | |||||
| 759 | T | 29.8 | Very low | 28.2 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | -118.1 | 144.1 | 172.5 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 760 | P | 43 | Very low | 27.9 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | -151.3 | -174.2 | 104.3 | 36.2 | -17.5 | 0 | 0 | 0 | 114.3 | |||||
| 761 | I | 29.9 | Very low | 27.6 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 67% | 0.672 | 75% | 0.754 | S | S | * | * | -158.2 | 130 | -53.3 | -100.7 | 159.6 | 0 | 0 | 0 | 107.7 | |||||
| 762 | Q | 27.4 | Very low | 27.4 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 59.2 | 167.3 | 161.7 | -68.5 | 168.7 | -7.4 | 0 | 0 | 117.8 | ||||
| 763 | T | 24.9 | Very low | 27.2 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | cis | -139 | 148.1 | 8.6 | -33.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 764 | S | 26.7 | Very low | 26.7 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -84.9 | 150.7 | 166.7 | 52.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 765 | L | 27.3 | Very low | 26.6 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | trans | -168.2 | 142.7 | 138.6 | -110.8 | 162.4 | 0 | 0 | 0 | 111.6 | ||||
| 766 | A | 28.8 | Very low | 26.7 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | -106.3 | 134.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 767 | Y | 24.7 | Very low | 26.6 | Very low | 185 Ų | 185 | 141 Ų | 141 | 73% | 0.725 | 76% | 0.757 | S | S | * | * | trans | -145.7 | 126.4 | 158 | -127.2 | -108.4 | 0 | 0 | 0 | 105.8 | K769 | Y767-K769 HydrophobicContact CE1-CD 4.26Š| ||
| 768 | V | 23 | Very low | 26.8 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | cis | 73.3 | 143.5 | 46.9 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 769 | K | 21.1 | Very low | 27 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | trans | 89.1 | 103.1 | 170.1 | -96.8 | -177 | 179.1 | 175.5 | 0 | 119.7 | Y767 | Y767-K769 HydrophobicContact CE1-CD 4.26Š| ||
| 770 | T | 20.2 | Very low | 27.4 | Very low | 112 Ų | 112 | 142 Ų | 142 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | 63.9 | 118.6 | 119.9 | 56.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 771 | S | 20.5 | Very low | 26.6 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | 93.7 | 102.6 | 101 | 68.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 772 | E | 22.7 | Very low | 26.4 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | 79.1 | 123 | 86.6 | -88.1 | -165.5 | 140.4 | 0 | 0 | 115 | |||||
| 773 | S | 25.2 | Very low | 26.1 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | 80.4 | 159.3 | 147.2 | 80.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 774 | L | 21.3 | Very low | 26.1 | Very low | 142 Ų | 142 | 140 Ų | 140 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | 74.6 | 134.6 | 174.5 | -47.6 | 172 | 0 | 0 | 0 | 115.2 | ||||
| 775 | K | 24.9 | Very low | 26.1 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 81% | 0.809 | 75% | 0.746 | S | S | * | * | cis | -154.2 | 151.1 | -10.8 | -133.4 | 170 | -172.2 | 170.6 | 0 | 113.3 | ||||
| 776 | Q | 34.7 | Very low | 26.4 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | -51.8 | 151.1 | 168.4 | 175.6 | -176.2 | 11.4 | 0 | 0 | 115.3 | ||||
| 777 | N | 24.9 | Very low | 26.5 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | -161.9 | 147.5 | 139.9 | -118.9 | -4.7 | 0 | 0 | 0 | 112.9 | ||||
| 778 | N | 33.5 | Very low | 26.9 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | -96.7 | 155.2 | 178.9 | -70.8 | 4.7 | 0 | 0 | 0 | 112.3 | ||||
| 779 | R | 32.7 | Very low | 27.1 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | -150.7 | 142.6 | 138.6 | -86.1 | -172.3 | 175.3 | 169.5 | -3.8 | 109 | A781 M782 | R779-A781 HydrophobicContact CG-CB 4.22Å; R779-M782 PolarHBondContact NH2-SD 2.96Å | ||
| 780 | D | 37 | Very low | 27.5 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | S | Bend | cis | 34.5 | 95.4 | -18.2 | -63.2 | -5.9 | 0 | 0 | 0 | 118.9 | ||
| 781 | A | 27.7 | Very low | 27.9 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | trans | -91.7 | 163.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R779 | R779-A781 HydrophobicContact CG-CB 4.22Š| ||
| 782 | M | 25.1 | Very low | 28.5 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 61% | 0.606 | 76% | 0.762 | S | S | * | * | cis | -154.6 | 145.8 | 13.9 | -168.9 | 87.3 | 149.3 | 0 | 0 | 111.2 | R779 | R779-M782 PolarHBondContact NH2-SD 2.96Š| ||
| 783 | E | 21.1 | Very low | 28.6 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 74.1 | 159.9 | 157.7 | -87.2 | 164.6 | -153.9 | 0 | 0 | 122.6 | ||||
| 784 | L | 25.7 | Very low | 28.6 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | 81.2 | 90 | 168.5 | -61.1 | 167.7 | 0 | 0 | 0 | 122.8 | ||||
| 785 | K | 25.5 | Very low | 28.7 | Very low | 201 Ų | 201 | 141 Ų | 141 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | 60.9 | 166.9 | 129.7 | -77.7 | -177.1 | 175.4 | 177.4 | 0 | 122 | |||||
| 786 | P | 34.8 | Very low | 28.5 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -127.5 | 173.2 | -153.4 | 43.4 | -30.9 | 0 | 0 | 0 | 118.4 | ||||
| 787 | N | 30.2 | Very low | 27.8 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | 145.8 | 134.7 | 116.3 | -162.1 | 25.5 | 0 | 0 | 0 | 118.3 | |||||
| 788 | G | 32.4 | Very low | 27.6 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 70.5 | 145.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 789 | G | 28.8 | Very low | 27.3 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | cis | 174.4 | 165.3 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 790 | A | 28.9 | Very low | 27.3 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 67 | 161.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 791 | D | 29.3 | Very low | 26.7 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | 178.3 | 159.4 | -46.4 | -108.9 | -55.5 | 0 | 0 | 0 | 109.1 | ||||
| 792 | Q | 31.2 | Very low | 26.5 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | cis | -164.3 | 159.9 | -9 | -156.2 | 172.4 | 102.6 | 0 | 0 | 112 | ||||
| 793 | K | 25.8 | Very low | 26.3 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 77.9 | 167.5 | 152.7 | -97 | 162 | -170.3 | 147.3 | 0 | 122.9 | ||||
| 794 | C | 24.2 | Very low | 26.5 | Very low | 113 Ų | 113 | 143 Ų | 143 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -163.8 | 155.3 | -162.9 | 164.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 795 | L | 24.4 | Very low | 26.3 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -179.2 | 163.7 | 140.9 | -102.3 | 166.5 | 0 | 0 | 0 | 118 | ||||
| 796 | K | 20.2 | Very low | 26.3 | Very low | 175 Ų | 175 | 137 Ų | 137 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 151.7 | -171.6 | -72.1 | 175.4 | 169.9 | 177.6 | 0 | 118.4 | ||||
| 797 | V | 21.4 | Very low | 25.8 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 65.6 | 143.6 | 123.9 | 176.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 798 | N | 19.8 | Very low | 25.7 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 84.3 | 144.7 | 159.2 | -82.6 | -2.9 | 0 | 0 | 0 | 121.7 | ||||
| 799 | S | 26.3 | Very low | 25.6 | Very low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -82.9 | 162.9 | 166.2 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 800 | P | 34 | Very low | 25.4 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | -158.5 | 173 | 72.3 | 42.4 | -20.7 | 0 | 0 | 0 | 119 | |||||
| 801 | I | 23.7 | Very low | 25.3 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 82% | 0.821 | 79% | 0.786 | S | S | * | * | trans | 15.4 | 123 | 139.1 | -46.7 | 163.1 | 0 | 0 | 0 | 119.3 | ||||
| 802 | R | 22.7 | Very low | 25.2 | Very low | 219 Ų | 219 | 148 Ų | 148 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | 170.2 | 153.7 | 103.4 | -155.4 | 160 | -174 | 172.5 | 2.8 | 116.3 | |||||
| 803 | M | 22.9 | Very low | 25 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 70% | 0.704 | 79% | 0.792 | S | S | * | * | trans | -41.3 | 150.8 | 173.9 | -45.1 | 154.5 | 75.7 | 0 | 0 | 119.1 | ||||
| 804 | K | 23.4 | Very low | 25 | Very low | 204 Ų | 204 | 149.7 Ų | 149.7 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | -170.2 | 165 | 111.3 | -111.7 | -179.7 | 178.8 | -179.6 | 0 | 116.2 | |||||
| 805 | N | 23.2 | Very low | 25.1 | Very low | 152 Ų | 152 | 152.7 Ų | 152.7 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -74 | 162 | -167.5 | -46.8 | 0.1 | 0 | 0 | 0 | 116.2 | ||||
| 806 | G | 25 | Very low | 25.2 | Very low | 78 Ų | 78 | 150.9 Ų | 150.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -173.8 | 116.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 807 | N | 25 | Very low | 25.4 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | trans | -83.8 | 156.4 | -175.4 | -68.9 | -14 | 0 | 0 | 0 | 114.3 | ||||
| 808 | G | 26.8 | Very low | 25.5 | Very low | 65 Ų | 65 | 152.1 Ų | 152.1 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 158.5 | 112.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 809 | K | 29.6 | Very low | 25.7 | Very low | 222 Ų | 222 | 148.3 Ų | 148.3 | 97% | 0.965 | 79% | 0.787 | S | S | * | * | trans | 68.5 | 155 | 154 | -50.8 | 169.9 | -174.7 | 174.8 | 0 | 116.3 | ||||
| 810 | G | 26 | Very low | 25.5 | Very low | 65 Ų | 65 | 147.9 Ų | 147.9 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 167.9 | 164.9 | -9.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 811 | W | 25.4 | Very low | 25 | Very low | 239 Ų | 239 | 150.7 Ų | 150.7 | 91% | 0.905 | 79% | 0.793 | S | S | * | * | trans | 74 | 135.6 | 176.4 | -77.8 | 34.2 | 0 | 0 | 0 | 116.1 | ||||
| 812 | L | 28.2 | Very low | 25.1 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | 84.3 | 140.9 | 46.2 | -68.3 | 169.1 | 0 | 0 | 0 | 112.8 | ||||
| 813 | R | 27.5 | Very low | 25.2 | Very low | 207 Ų | 207 | 148.1 Ų | 148.1 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | cis | -173.1 | 169.7 | -11.3 | 179.6 | 179.4 | 167 | -164.5 | -0.1 | 109.5 | ||||
| 814 | L | 25.1 | Very low | 25.2 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | 76.3 | 133.6 | 173.2 | -61.4 | 104.7 | 0 | 0 | 0 | 115.4 | ||||
| 815 | K | 25.7 | Very low | 25.3 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | cis | 92.6 | 122.9 | 4.8 | -166 | 175.1 | 178.5 | -179.7 | 0 | 118.7 | ||||
| 816 | N | 27.3 | Very low | 25.4 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 66% | 0.663 | 79% | 0.788 | S | S | * | * | trans | 72.9 | 156.1 | 168.1 | -81 | 42.8 | 0 | 0 | 0 | 115.7 | ||||
| 817 | N | 23.5 | Very low | 25.5 | Very low | 142 Ų | 142 | 153.3 Ų | 153.3 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | cis | -146.5 | -177.9 | 24.8 | -146.5 | 21.7 | 0 | 0 | 0 | 115.9 | ||||
| 818 | M | 24.3 | Very low | 25.5 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -79.2 | 158.9 | -178.9 | -140.3 | 96 | 73 | 0 | 0 | 114.4 | ||||
| 819 | G | 23.1 | Very low | 25.4 | Very low | 77 Ų | 77 | 160.7 Ų | 160.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -166.5 | 159.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 820 | A | 23.6 | Very low | 25.2 | Very low | 94 Ų | 94 | 157.1 Ų | 157.1 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -148.8 | -174.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 821 | H | 23.6 | Very low | 25.2 | Very low | 169 Ų | 169 | 160.8 Ų | 160.8 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | 78.8 | 162.6 | -168.1 | -65 | -79.4 | 0 | 0 | 0 | 115.3 | ||||
| 822 | E | 24.3 | Very low | 25.2 | Very low | 157 Ų | 157 | 155.1 Ų | 155.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -173.3 | 164 | -47.9 | -129.6 | 168.1 | 174.7 | 0 | 0 | 107.5 | ||||
| 823 | E | 25.3 | Very low | 25.1 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 25.4 | 117.8 | 167.5 | -55.2 | -160.9 | 144.4 | 0 | 0 | 121.4 | ||||
| 824 | K | 23.7 | Very low | 25.1 | Very low | 195 Ų | 195 | 152 Ų | 152 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | -173.1 | 166.2 | 97.9 | -104.9 | 172.5 | -175.7 | 172.9 | 0 | 115.4 | |||||
| 825 | K | 25.1 | Very low | 25 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -42.6 | 156.9 | 163.1 | -69 | 179.8 | 173.4 | -172.3 | 0 | 112.4 | ||||
| 826 | E | 25.7 | Very low | 25 | Very low | 170 Ų | 170 | 149.1 Ų | 149.1 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | -158.9 | 178.4 | 54.1 | -139.4 | 136.5 | -110 | 0 | 0 | 114 | |||||
| 827 | D | 26.1 | Very low | 25 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 157.3 | 179.9 | -53 | -88.3 | 0 | 0 | 0 | 113.7 | ||||
| 828 | W | 25.1 | Very low | 25.1 | Very low | 260 Ų | 260 | 148 Ų | 148 | 99% | 0.985 | 79% | 0.789 | S | S | * | * | trans | -153.3 | 138.7 | 137.7 | -100.3 | 96.9 | 0 | 0 | 0 | 111 | ||||
| 829 | N | 26 | Very low | 25.1 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -103.5 | 155.6 | 179.3 | -121.1 | -25.1 | 0 | 0 | 0 | 110.5 | ||||
| 830 | N | 24.2 | Very low | 25.4 | Very low | 146 Ų | 146 | 151.8 Ų | 151.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 65.6 | 136.4 | 170.2 | -51.9 | -39 | 0 | 0 | 0 | 117.6 | ||||
| 831 | V | 25.4 | Very low | 25.5 | Very low | 143 Ų | 143 | 153 Ų | 153 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | -162.5 | 154.9 | 106.2 | 140.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 832 | T | 26.2 | Very low | 25.7 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -72.7 | 148.4 | -165.2 | 47.3 | 0 | 0 | 0 | 0 | 115.9 | A834 | T832-A834 PolarHBondContact O-N 3.01Š| ||
| 833 | K | 27.2 | Very low | 25.8 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | trans | -23.2 | 128 | 139.6 | 178.1 | -169.2 | 178.8 | -168.6 | 0 | 112.9 | E835 | K833-E835 IonicContact NZ-OE2 2.66Š| ||
| 834 | A | 25.9 | Very low | 26.6 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | -142.6 | 137 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T832 | T832-A834 PolarHBondContact O-N 3.01Š| ||
| 835 | E | 24.8 | Very low | 26.8 | Very low | 163 Ų | 163 | 149 Ų | 149 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -99.1 | 152.5 | 169 | -68.7 | 158.8 | 97.5 | 0 | 0 | 108.7 | K833 | K833-E835 IonicContact NZ-OE2 2.66Š| ||
| 836 | S | 24.8 | Very low | 26.7 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | 147.2 | 135.4 | 124.6 | -166.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 837 | M | 26.2 | Very low | 26.7 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | 60 | 155.3 | 156 | -73.4 | 162.3 | 59.1 | 0 | 0 | 118.6 | ||||
| 838 | G | 26.1 | Very low | 26.8 | Very low | 66 Ų | 66 | 143 Ų | 143 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | cis | 125.1 | 112.3 | 1.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 839 | L | 24.9 | Very low | 27 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | -132.9 | 118.2 | -168.9 | -128.4 | 166.3 | 0 | 0 | 0 | 110 | ||||
| 840 | L | 28.4 | Very low | 27 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -134.3 | 159.9 | 167.7 | -79.6 | 176.4 | 0 | 0 | 0 | 108.6 | ||||
| 841 | S | 26.9 | Very low | 27.2 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -75.9 | 161 | -161.5 | -48.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 842 | E | 27.4 | Very low | 27.3 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -56.9 | 162.9 | 163.4 | -61.4 | 161.4 | 129.3 | 0 | 0 | 110.9 | ||||
| 843 | D | 26.5 | Very low | 27.5 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | cis | -160.3 | -171.7 | 43.8 | -139.1 | -3.2 | 0 | 0 | 0 | 111 | ||||
| 844 | P | 42.6 | Very low | 27.6 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 56% | 0.558 | 78% | 0.779 | S | S | * | * | -141.6 | -172.9 | -116.2 | 49.2 | -30.6 | 0 | 0 | 0 | 118.5 | |||||
| 845 | K | 26.7 | Very low | 27.8 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | 72.2 | 114.5 | 153.2 | -70.1 | 165.7 | -172.4 | 163.2 | 0 | 121.6 | ||||
| 846 | S | 24.9 | Very low | 28 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | -156 | 170.9 | 118.8 | 59.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 847 | S | 25.3 | Very low | 28.6 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -138.3 | 172.8 | -163.5 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 848 | D | 28.2 | Very low | 28.7 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 74.9 | 149.1 | 159.4 | -52.3 | -50.8 | 0 | 0 | 0 | 117.6 | ||||
| 849 | S | 27.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | cis | -152.3 | -149.8 | -11.1 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 850 | E | 27.6 | Very low | 29.1 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -106.4 | 171.2 | -148.8 | -43.6 | 178.9 | 125.6 | 0 | 0 | 118.7 | ||||
| 851 | N | 27.3 | Very low | 29.3 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | trans | 71.5 | 116.6 | 139.4 | -81.1 | -45.5 | 0 | 0 | 0 | 122.3 | ||||
| 852 | S | 27.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | -178.1 | 168.9 | 119.6 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 853 | V | 30.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | -139.6 | 121.3 | -164.7 | 167.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 854 | T | 29.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | 177.8 | 148 | 90.6 | 19.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 855 | K | 30.3 | Very low | 29.3 | Very low | 200 Ų | 200 | 146.8 Ų | 146.8 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | trans | 144.1 | 114 | 135.1 | -81.2 | 176.7 | -177.2 | 175.1 | 0 | 113.3 | ||||
| 856 | N | 29.3 | Very low | 29.6 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -77 | 161 | 158.4 | -86.9 | -16.5 | 0 | 0 | 0 | 109.6 | ||||
| 857 | P | 37.3 | Very low | 29.9 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -142.5 | -172.8 | 37.9 | 42.5 | -23.2 | 0 | 0 | 0 | 117.8 | ||||
| 858 | L | 27.7 | Very low | 30.3 | Very low | 170 Ų | 170 | 144 Ų | 144 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | 85.8 | 124.2 | 171.8 | -59.6 | 169.6 | 0 | 0 | 0 | 116.4 | ||||
| 859 | R | 31.2 | Very low | 30.4 | Very low | 248 Ų | 248 | 143 Ų | 143 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -78.2 | 132.8 | 176.8 | -70.3 | 174.1 | 168.7 | 175.6 | -5.2 | 110.9 | ||||
| 860 | K | 28.2 | Very low | 30.5 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -153.9 | 123.3 | 130.4 | -111.7 | 176.5 | 178.9 | -176.6 | 0 | 108 | ||||
| 861 | T | 32.3 | Very low | 30.7 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -85.4 | 143.3 | 168.7 | 44.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 862 | D | 28.2 | Very low | 30.9 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -67.3 | 149.7 | -172.6 | -56.7 | -79.7 | 0 | 0 | 0 | 114.2 | ||||
| 863 | S | 28.9 | Very low | 31.1 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -144.8 | 95.3 | 148.9 | -177 | 0 | 0 | 0 | 0 | 106.4 | D865 | S863-D865 PolarHBondContact O-N 2.99Š| ||
| 864 | C | 34.6 | Very low | 31.1 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | -67 | 115.6 | 157.2 | -58.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 865 | D | 31.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 68% | 0.684 | 80% | 0.804 | S | S | * | * | 60.5 | 103.1 | 63.6 | -162.1 | 3.9 | 0 | 0 | 0 | 112 | S863 G867 | S863-D865 PolarHBondContact O-N 2.99Å; D865-G867 WeakPolarHBondContact OD1-CA 3.43Å; D865-G867 PolarHBondContact OD1-N 2.64Å | |||
| 866 | S | 34.7 | Very low | 31.2 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -141.4 | 66.1 | 154.4 | -69.5 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 867 | G | 29.8 | Very low | 31.4 | Very low | 55 Ų | 55 | 148.8 Ų | 148.8 | 57% | 0.567 | 80% | 0.795 | S | S | * | * | trans | -72.3 | 163.2 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D865 | D865-G867 WeakPolarHBondContact OD1-CA 3.43Å; D865-G867 PolarHBondContact OD1-N 2.64Å | ||
| 868 | I | 34.2 | Very low | 31 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -140.6 | 129.3 | 141 | -118.7 | 167.5 | 0 | 0 | 0 | 108.6 | ||||
| 869 | T | 29.5 | Very low | 31.2 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -94.8 | 158.1 | 165.3 | 65 | 0 | 0 | 0 | 0 | 107 | ||||
| 870 | K | 31 | Very low | 31.1 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | cis | -144.2 | 161.7 | 18.4 | -66 | 166.9 | 125.1 | -137.9 | 0 | 110.1 | D872 | K870-D872 WeakPolarHBondContact CD-OD2 3.41Å; K870-D872 IonicContact NZ-OD1 2.93Å; K870-D872 PolarHBondContact NZ-OD1 3.01Å; K870-D872 IonicContact NZ-OD2 2.65Å; K870-D872 PolarHBondContact NZ-OD2 3.02Å | ||
| 871 | S | 31.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -124.4 | 89.8 | 153.2 | 41.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 872 | D | 31.1 | Very low | 31 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | -71.6 | 143.8 | 179.2 | -75 | -45.3 | 0 | 0 | 0 | 111.3 | K870 | K870-D872 WeakPolarHBondContact CD-OD2 3.41Å; K870-D872 IonicContact NZ-OD1 2.93Å; K870-D872 PolarHBondContact NZ-OD1 3.01Å; K870-D872 IonicContact NZ-OD2 2.65Å; K870-D872 PolarHBondContact NZ-OD2 3.02Å | ||
| 873 | L | 32.8 | Very low | 30.9 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -108.4 | 145.9 | -172.4 | -123.4 | 163.8 | 0 | 0 | 0 | 110.4 | ||||
| 874 | R | 30.6 | Very low | 32 | Very low | 217 Ų | 217 | 138.4 Ų | 138.4 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | trans | 70 | 138.6 | 178 | -60.4 | 178.9 | 144.9 | 107.6 | -3.1 | 116.6 | ||||
| 875 | L | 30.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | -157.5 | 161.1 | 101.8 | -108.4 | 165.9 | 0 | 0 | 0 | 112.4 | |||||
| 876 | D | 31.5 | Very low | 31.8 | Very low | 124 Ų | 124 | 141 Ų | 141 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | trans | -84.4 | 167.3 | -178.1 | -83.4 | -86.4 | 0 | 0 | 0 | 113.1 | ||||
| 877 | K | 32.9 | Very low | 31.5 | Very low | 200 Ų | 200 | 143.1 Ų | 143.1 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | 1.7 | 132.3 | 154.9 | -59.4 | 173.4 | -179.6 | 174.9 | 0 | 118.5 | ||||
| 878 | A | 29.7 | Very low | 31.4 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | trans | -142.9 | 154.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 879 | G | 30.3 | Very low | 32 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -153.6 | 147 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 880 | E | 30 | Very low | 31.9 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | 64 | 147.8 | 179.7 | -61.1 | -167.1 | 153 | 0 | 0 | 116.4 | ||||
| 881 | A | 30.1 | Very low | 31.9 | Very low | 82 Ų | 82 | 144.8 Ų | 144.8 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -166.1 | 174.5 | -20.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 882 | R | 28.4 | Very low | 31.6 | Very low | 249 Ų | 249 | 143.1 Ų | 143.1 | 94% | 0.94 | 78% | 0.776 | S | S | * | * | trans | 91.7 | 156.2 | 163 | -55.6 | -178.8 | 177.3 | 169.1 | 0.5 | 118.8 | ||||
| 883 | S | 25.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -141.2 | -162 | -171.9 | 59.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 884 | P | 51.6 | Low | 31.1 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | -139.7 | -164.7 | -2.6 | 35.6 | -11.6 | 0 | 0 | 0 | 115.2 | ||||
| 885 | L | 32.9 | Very low | 31.1 | Very low | 147 Ų | 147 | 140 Ų | 140 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 76.6 | 149.8 | 162.8 | -58.4 | 154.4 | 0 | 0 | 0 | 116.1 | ||||
| 886 | E | 28.9 | Very low | 31.1 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | cis | -150 | 160.2 | 8.6 | -144.5 | 170.3 | -127 | 0 | 0 | 115.8 | ||||
| 887 | H | 29.6 | Very low | 31.1 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | 65.6 | 143.3 | 159.7 | -90.8 | -66.5 | 0 | 0 | 0 | 123.9 | ||||
| 888 | S | 26.8 | Very low | 31 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -132 | 178.5 | -177 | -127.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 889 | P | 46.5 | Very low | 31.2 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | cis | -126.9 | -157.9 | 35.5 | 26.5 | 0.5 | 0 | 0 | 0 | 111.6 | ||||
| 890 | I | 28.5 | Very low | 31.7 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | cis | -144.5 | 157.1 | 23.8 | -65.2 | 172.4 | 0 | 0 | 0 | 111.4 | ||||
| 891 | Q | 29.4 | Very low | 32.4 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -22.4 | 142.1 | 156.4 | -92.6 | 158.9 | -29.7 | 0 | 0 | 116.3 | ||||
| 892 | A | 26 | Very low | 33.2 | Very low | 83 Ų | 83 | 144.9 Ų | 144.9 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | cis | -158.8 | -174.8 | 6.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 893 | D | 25.9 | Very low | 34.3 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | cis | -150.6 | -165.5 | 8.2 | -155.2 | -91.8 | 0 | 0 | 0 | 110.8 | ||||
| 894 | A | 28.5 | Very low | 35.5 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | trans | -82.8 | 136.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 895 | K | 30.3 | Very low | 35.9 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -139.8 | 130.6 | 147.3 | -76.7 | -171.6 | 177.7 | 173.6 | 0 | 109.9 | ||||
| 896 | H | 29.7 | Very low | 37.1 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 82% | 0.819 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -74 | 130.3 | 177.9 | -70.7 | -89.7 | 0 | 0 | 0 | 111.9 | ||
| 897 | P | 31.8 | Very low | 38.8 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 132.2 | 159.2 | 31.3 | -28.1 | 0 | 0 | 0 | 110.1 | ||
| 898 | F | 30.2 | Very low | 40.8 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 87% | 0.873 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 144.7 | 172 | -92.1 | -109.4 | 0 | 0 | 0 | 111 | ||
| 899 | Y | 34.8 | Very low | 43 | Very low | 218 Ų | 218 | 132.2 Ų | 132.2 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 142.4 | 167 | -85.7 | -98 | 0 | 0 | 0 | 110.9 | ||
| 900 | P | 40.5 | Very low | 44.1 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -68 | 140.7 | 163.1 | 30.3 | -33.2 | 0 | 0 | 0 | 110 | ||
| 901 | I | 45 | Very low | 46.2 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 131.1 | -179.9 | -62.3 | 171.7 | 0 | 0 | 0 | 109.3 | A905 | I901-A905 HydrophobicContact CG2-CB 3.76Š|
| 902 | P | 46.4 | Very low | 48.9 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 57% | 0.571 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 141.1 | 175.3 | -20.4 | 32.5 | 0 | 0 | 0 | 111.8 | Q904 A905 | P902-Q904 PolarHBondContact O-N 3.4Å; P902-A905 WeakPolarHBondContact O-CB 3.21Å; P902-A905 PolarHBondContact O-N 2.93Å |
| 903 | E | 50.4 | Low | 51.4 | Low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -56 | -28.3 | -178.8 | -64.3 | -177.6 | 117.3 | 0 | 0 | 113.5 | A905 L906 Q907 | E903-A905 VanDerWaalsContact C-N 3.29Å; E903-A905 PolarHBondContact O-N 2.92Å; E903-L906 WeakPolarHBondContact O-CB 3.15Å; E903-L906 PolarHBondContact O-N 3.45Å; E903-L906 VanDerWaalsContact O-N 3.13Å; E903-Q907 PolarHBondContact O-N 2.82Å |
| 904 | Q | 52.3 | Low | 54.2 | Low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.5 | -36.2 | 174.2 | -70.9 | 180 | -28.1 | 0 | 0 | 112.8 | P902 L906 Q907 T908 | P902-Q904 PolarHBondContact O-N 3.4Å; Q904-L906 VanDerWaalsContact C-N 3.32Å; Q904-Q907 PolarHBondContact O-N 2.86Å; Q904-T908 WeakPolarHBondContact O-CG2 3.27Å; Q904-T908 PolarHBondContact O-N 3.02Å; Q904-T908 PolarHBondContact O-OG1 3.16Å |
| 905 | A | 58.6 | Low | 56.9 | Low | 38 Ų | 38 | 131.2 Ų | 131.2 | 31% | 0.314 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -72.1 | -27.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | I901 P902 E903 T908 T909 | I901-A905 HydrophobicContact CG2-CB 3.76Å; P902-A905 WeakPolarHBondContact O-CB 3.21Å; P902-A905 PolarHBondContact O-N 2.93Å; E903-A905 VanDerWaalsContact C-N 3.29Å; E903-A905 PolarHBondContact O-N 2.92Å; A905-T908 WeakPolarHBondContact CA-OG1 3.36Å; A905-T908 PolarHBondContact O-OG1 2.89Å; A905-T909 WeakPolarHBondContact O-CG2 3.29Å; A905-T909 PolarHBondContact O-N 3.22Å; A905-T909 PolarHBondContact O-OG1 3.42Å |
| 906 | L | 59.5 | Low | 59.5 | Low | 125 Ų | 125 | 127.8 Ų | 127.8 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.2 | -36.9 | 171.4 | -165.9 | 72.2 | 0 | 0 | 0 | 110.9 | E903 Q904 T909 L910 | E903-L906 WeakPolarHBondContact O-CB 3.15Å; E903-L906 PolarHBondContact O-N 3.45Å; E903-L906 VanDerWaalsContact O-N 3.13Å; Q904-L906 VanDerWaalsContact C-N 3.32Å; L906-T909 PolarHBondContact O-OG1 3Å; L906-L910 VanDerWaalsContact O-CB 3.28Å; L906-L910 WeakPolarHBondContact O-CB 3.43Å; L906-L910 PolarHBondContact O-N 3.02Å |
| 907 | Q | 64.1 | Low | 61.8 | Low | 129 Ų | 129 | 124.3 Ų | 124.3 | 60% | 0.603 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.6 | -38.9 | 174.5 | -74.9 | -172.1 | -16.3 | 0 | 0 | 113.1 | E903 Q904 Q911 | E903-Q907 PolarHBondContact O-N 2.82Å; Q904-Q907 PolarHBondContact O-N 2.86Å; Q907-Q911 WeakPolarHBondContact O-CG 3.32Å; Q907-Q911 PolarHBondContact O-N 3.19Å |
| 908 | T | 72.3 | Confident | 64.3 | Low | 80 Ų | 80 | 124 Ų | 124 | 49% | 0.491 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67 | -47.1 | 176.4 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | Q904 A905 L910 Q911 E912 | Q904-T908 WeakPolarHBondContact O-CG2 3.27Å; Q904-T908 PolarHBondContact O-N 3.02Å; Q904-T908 PolarHBondContact O-OG1 3.16Å; A905-T908 WeakPolarHBondContact CA-OG1 3.36Å; A905-T908 PolarHBondContact O-OG1 2.89Å; T908-L910 VanDerWaalsContact C-N 3.31Å; T908-L910 PolarHBondContact O-N 3.45Å; T908-Q911 PolarHBondContact O-N 3.4Å; T908-E912 WeakPolarHBondContact O-CB 3.47Å; T908-E912 PolarHBondContact O-N 2.91Å |
| 909 | T | 72 | Confident | 67 | Low | 66 Ų | 66 | 119.7 Ų | 119.7 | 41% | 0.405 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.5 | -35.9 | 177.1 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | A905 L906 E912 V913 | A905-T909 WeakPolarHBondContact O-CG2 3.29Å; A905-T909 PolarHBondContact O-N 3.22Å; A905-T909 PolarHBondContact O-OG1 3.42Å; L906-T909 PolarHBondContact O-OG1 3Å; T909-E912 PolarHBondContact O-N 3.47Å; T909-V913 WeakPolarHBondContact O-CB 3.47Å; T909-V913 WeakPolarHBondContact O-CG2 3.43Å; T909-V913 PolarHBondContact O-N 3.37Å |
| 910 | L | 70 | Confident | 69.5 | Low | 129 Ų | 129 | 114 Ų | 114 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.5 | -33.1 | 172.6 | -165 | 103.3 | 0 | 0 | 0 | 112.9 | L906 T908 K914 | L906-L910 VanDerWaalsContact O-CB 3.28Å; L906-L910 WeakPolarHBondContact O-CB 3.43Å; L906-L910 PolarHBondContact O-N 3.02Å; T908-L910 VanDerWaalsContact C-N 3.31Å; T908-L910 PolarHBondContact O-N 3.45Å; L910-K914 WeakPolarHBondContact O-CB 3.42Å; L910-K914 PolarHBondContact O-N 3.26Å |
| 911 | Q | 73.4 | Confident | 71.7 | Confident | 131 Ų | 131 | 113.6 Ų | 113.6 | 61% | 0.612 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.4 | -35.9 | 173.5 | -74.2 | -178.2 | 14.6 | 0 | 0 | 112.4 | Q907 T908 K914 H915 | Q907-Q911 WeakPolarHBondContact O-CG 3.32Å; Q907-Q911 PolarHBondContact O-N 3.19Å; T908-Q911 PolarHBondContact O-N 3.4Å; Q911-K914 WeakPolarHBondContact O-CB 3.28Å; Q911-K914 PolarHBondContact O-N 3.33Å; Q911-H915 PolarHBondContact O-N 3.31Å |
| 912 | E | 84.9 | Confident | 73.6 | Confident | 134 Ų | 134 | 112.2 Ų | 112.2 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -53 | 178 | -166.1 | 162.7 | -140.2 | 0 | 0 | 110.8 | T908 T909 K914 H915 E916 | T908-E912 WeakPolarHBondContact O-CB 3.47Å; T908-E912 PolarHBondContact O-N 2.91Å; T909-E912 PolarHBondContact O-N 3.47Å; E912-K914 PolarHBondContact O-N 3.43Å; E912-H915 WeakPolarHBondContact O-CA 3.48Å; E912-H915 WeakPolarHBondContact O-CB 3.39Å; E912-H915 PolarHBondContact O-N 2.96Å; E912-E916 PolarHBondContact O-N 3.34Å |
| 913 | V | 79.2 | Confident | 75.6 | Confident | 86 Ų | 86 | 112.9 Ų | 112.9 | 52% | 0.521 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.8 | -34.4 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 112 | T909 H915 L917 | T909-V913 WeakPolarHBondContact O-CB 3.47Å; T909-V913 WeakPolarHBondContact O-CG2 3.43Å; T909-V913 PolarHBondContact O-N 3.37Å; V913-H915 VanDerWaalsContact C-N 3.31Å; V913-H915 PolarHBondContact O-N 3.29Å; V913-L917 WeakPolarHBondContact O-CB 3.24Å; V913-L917 PolarHBondContact O-N 2.8Å |
| 914 | K | 84.1 | Confident | 77.2 | Confident | 158 Ų | 158 | 110.1 Ų | 110.1 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -28.8 | 174.1 | 178.5 | -178.5 | 175.5 | -174.8 | 0 | 112.6 | L910 Q911 E912 K918 | L910-K914 WeakPolarHBondContact O-CB 3.42Å; L910-K914 PolarHBondContact O-N 3.26Å; Q911-K914 WeakPolarHBondContact O-CB 3.28Å; Q911-K914 PolarHBondContact O-N 3.33Å; E912-K914 PolarHBondContact O-N 3.43Å; K914-K918 WeakPolarHBondContact O-CB 3.23Å; K914-K918 PolarHBondContact O-N 3.16Å |
| 915 | H | 84.4 | Confident | 78.7 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -79.2 | -46.2 | 176 | -135.4 | -86 | 0 | 0 | 0 | 111 | Q911 E912 V913 L917 K918 E919 | Q911-H915 PolarHBondContact O-N 3.31Å; E912-H915 WeakPolarHBondContact O-CA 3.48Å; E912-H915 WeakPolarHBondContact O-CB 3.39Å; E912-H915 PolarHBondContact O-N 2.96Å; V913-H915 VanDerWaalsContact C-N 3.31Å; V913-H915 PolarHBondContact O-N 3.29Å; H915-L917 PolarHBondContact O-N 3.43Å; H915-K918 WeakPolarHBondContact O-CB 3.13Å; H915-K918 PolarHBondContact O-N 3.13Å; H915-E919 IonicContact CE1-OE1 3.85Å; H915-E919 PolarHBondContact CE1-OE1 3.3Å; H915-E919 IonicContact CG-OE1 3.46Å; H915-E919 IonicContact ND1-OE1 3.9Å; H915-E919 PolarHBondContact ND1-OE1 3.41Å; H915-E919 PolarHBondContact O-N 3.18Å |
| 916 | E | 84.8 | Confident | 79.9 | Confident | 130 Ų | 130 | 108 Ų | 108 | 61% | 0.607 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -55 | -50.8 | 174.4 | -170.9 | 174.6 | -140.8 | 0 | 0 | 111.4 | E912 K918 E919 D920 | E912-E916 PolarHBondContact O-N 3.34Å; E916-K918 PolarHBondContact O-N 2.94Å; E916-E919 PolarHBondContact O-N 2.94Å; E916-E919 VanDerWaalsContact O-N 3.11Å; E916-D920 PolarHBondContact O-N 2.86Å |
| 917 | L | 78.5 | Confident | 81.3 | Confident | 105 Ų | 105 | 110 Ų | 110 | 55% | 0.55 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.9 | -32.5 | 175.9 | -176.6 | 65.8 | 0 | 0 | 0 | 113.2 | V913 H915 I921 | V913-L917 WeakPolarHBondContact O-CB 3.24Å; V913-L917 PolarHBondContact O-N 2.8Å; H915-L917 PolarHBondContact O-N 3.43Å; L917-I921 HydrophobicContact CG-CD1 4.19Å; L917-I921 WeakPolarHBondContact O-CB 3.13Å; L917-I921 WeakPolarHBondContact O-CD1 3.41Å; L917-I921 WeakPolarHBondContact O-CG1 3.27Å; L917-I921 PolarHBondContact O-N 3.2Å |
| 918 | K | 85.4 | Confident | 82.3 | Confident | 110 Ų | 110 | 109.1 Ų | 109.1 | 48% | 0.478 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.5 | -36.6 | 177.9 | -180 | -169.4 | 170.6 | -160.1 | 0 | 111.3 | K914 H915 E916 I921 Q922 | K914-K918 WeakPolarHBondContact O-CB 3.23Å; K914-K918 PolarHBondContact O-N 3.16Å; H915-K918 WeakPolarHBondContact O-CB 3.13Å; H915-K918 PolarHBondContact O-N 3.13Å; E916-K918 PolarHBondContact O-N 2.94Å; K918-I921 PolarHBondContact O-N 3.17Å; K918-Q922 WeakPolarHBondContact O-CG 3.33Å; K918-Q922 PolarHBondContact O-N 3.16Å; K918-Q922 VanDerWaalsContact O-N 3.09Å |
| 919 | E | 86.9 | Confident | 83.1 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.6 | -40.6 | 175.5 | -72.4 | 170.3 | -144 | 0 | 0 | 111 | H915 E916 I921 Q922 L923 | H915-E919 IonicContact CE1-OE1 3.85Å; H915-E919 PolarHBondContact CE1-OE1 3.3Å; H915-E919 IonicContact CG-OE1 3.46Å; H915-E919 IonicContact ND1-OE1 3.9Å; H915-E919 PolarHBondContact ND1-OE1 3.41Å; H915-E919 PolarHBondContact O-N 3.18Å; E916-E919 PolarHBondContact O-N 2.94Å; E916-E919 VanDerWaalsContact O-N 3.11Å; E919-I921 PolarHBondContact O-N 2.91Å; E919-Q922 PolarHBondContact O-N 2.87Å; E919-Q922 VanDerWaalsContact O-N 3.14Å; E919-L923 WeakPolarHBondContact O-CB 3.2Å; E919-L923 PolarHBondContact O-N 3.06Å |
| 920 | D | 86.3 | Confident | 83.8 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 170.7 | -101.3 | -10.1 | 0 | 0 | 0 | 112.6 | E916 Q922 L923 L924 | E916-D920 PolarHBondContact O-N 2.86Å; D920-Q922 VanDerWaalsContact C-N 3.32Å; D920-Q922 PolarHBondContact O-N 3.45Å; D920-L923 PolarHBondContact O-N 3.36Å; D920-L924 VanDerWaalsContact O-CB 3.3Å; D920-L924 WeakPolarHBondContact O-CB 3.33Å; D920-L924 PolarHBondContact O-N 3.12Å |
| 921 | I | 86.8 | Confident | 84.5 | Confident | 104 Ų | 104 | 106.3 Ų | 106.3 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 175 | -73.4 | 165.4 | 0 | 0 | 0 | 111.3 | L917 K918 E919 S925 | L917-I921 HydrophobicContact CG-CD1 4.19Å; L917-I921 WeakPolarHBondContact O-CB 3.13Å; L917-I921 WeakPolarHBondContact O-CD1 3.41Å; L917-I921 WeakPolarHBondContact O-CG1 3.27Å; L917-I921 PolarHBondContact O-N 3.2Å; K918-I921 PolarHBondContact O-N 3.17Å; E919-I921 PolarHBondContact O-N 2.91Å; I921-S925 WeakPolarHBondContact O-CB 3.13Å; I921-S925 PolarHBondContact O-N 3.44Å |
| 922 | Q | 84.7 | Confident | 85.3 | Confident | 112 Ų | 112 | 105.4 Ų | 105.4 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 175.2 | -74 | -176.8 | -16.4 | 0 | 0 | 112.2 | K918 E919 D920 S925 C926 | K918-Q922 WeakPolarHBondContact O-CG 3.33Å; K918-Q922 PolarHBondContact O-N 3.16Å; K918-Q922 VanDerWaalsContact O-N 3.09Å; E919-Q922 PolarHBondContact O-N 2.87Å; E919-Q922 VanDerWaalsContact O-N 3.14Å; D920-Q922 VanDerWaalsContact C-N 3.32Å; D920-Q922 PolarHBondContact O-N 3.45Å; Q922-S925 PolarHBondContact O-N 2.78Å; Q922-C926 PolarHBondContact O-N 2.93Å; Q922-C926 PolarHBondContact O-SG 3.06Å |
| 923 | L | 88.5 | Confident | 85.4 | Confident | 102 Ų | 102 | 106.6 Ų | 106.6 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.2 | -177.8 | 63.9 | 0 | 0 | 0 | 111.3 | E919 D920 C926 R927 | E919-L923 WeakPolarHBondContact O-CB 3.2Å; E919-L923 PolarHBondContact O-N 3.06Å; D920-L923 PolarHBondContact O-N 3.36Å; L923-C926 PolarHBondContact O-N 3.04Å; L923-R927 WeakPolarHBondContact O-CG 3.24Å; L923-R927 PolarHBondContact O-N 3.36Å |
| 924 | L | 83.9 | Confident | 85.8 | Confident | 114 Ų | 114 | 108 Ų | 108 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 176.1 | -170.2 | 68 | 0 | 0 | 0 | 111.5 | D920 R927 M928 | D920-L924 VanDerWaalsContact O-CB 3.3Å; D920-L924 WeakPolarHBondContact O-CB 3.33Å; D920-L924 PolarHBondContact O-N 3.12Å; L924-R927 PolarHBondContact O-N 3.43Å; L924-M928 WeakPolarHBondContact O-CB 3.49Å; L924-M928 PolarHBondContact O-N 2.98Å |
| 925 | S | 83.6 | Confident | 85.9 | Confident | 63 Ų | 63 | 104.3 Ų | 104.3 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | I921 Q922 R927 M928 T929 | I921-S925 WeakPolarHBondContact O-CB 3.13Å; I921-S925 PolarHBondContact O-N 3.44Å; Q922-S925 PolarHBondContact O-N 2.78Å; S925-R927 VanDerWaalsContact C-N 3.34Å; S925-R927 PolarHBondContact O-N 3.02Å; S925-M928 PolarHBondContact O-N 3.03Å; S925-T929 PolarHBondContact O-N 3.45Å; S925-T929 PolarHBondContact O-OG1 3.03Å |
| 926 | C | 85.3 | Confident | 86 | Confident | 83 Ų | 83 | 102.3 Ų | 102.3 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -37.1 | 173.6 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | Q922 L923 T929 A930 | Q922-C926 PolarHBondContact O-N 2.93Å; Q922-C926 PolarHBondContact O-SG 3.06Å; L923-C926 PolarHBondContact O-N 3.04Å; C926-T929 PolarHBondContact O-OG1 3.39Å; C926-A930 WeakPolarHBondContact O-CB 3.34Å; C926-A930 PolarHBondContact O-N 3.4Å; C926-A930 VanDerWaalsContact O-N 3.13Å |
| 927 | R | 88.4 | Confident | 85.9 | Confident | 168 Ų | 168 | 102.2 Ų | 102.2 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.6 | -36.4 | 174.2 | -70.8 | -180 | 67.7 | -175.5 | 0.6 | 112.6 | L923 L924 S925 A930 L931 | L923-R927 WeakPolarHBondContact O-CG 3.24Å; L923-R927 PolarHBondContact O-N 3.36Å; L924-R927 PolarHBondContact O-N 3.43Å; S925-R927 VanDerWaalsContact C-N 3.34Å; S925-R927 PolarHBondContact O-N 3.02Å; R927-A930 PolarHBondContact O-N 2.94Å; R927-L931 PolarHBondContact O-N 3.25Å |
| 928 | M | 85.3 | Confident | 86.2 | Confident | 109 Ų | 109 | 101.9 Ų | 101.9 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.8 | -45.8 | 178.3 | -164.8 | 164.5 | 75.7 | 0 | 0 | 111.2 | L924 S925 A930 L931 E932 | L924-M928 WeakPolarHBondContact O-CB 3.49Å; L924-M928 PolarHBondContact O-N 2.98Å; S925-M928 PolarHBondContact O-N 3.03Å; M928-A930 VanDerWaalsContact C-N 3.29Å; M928-A930 PolarHBondContact O-N 3.21Å; M928-L931 CarbonylContact O-C 3.49Å; M928-L931 WeakPolarHBondContact O-CB 3.27Å; M928-L931 PolarHBondContact O-N 3.03Å; M928-L931 VanDerWaalsContact O-N 3.11Å; M928-E932 WeakPolarHBondContact O-CG 3.31Å; M928-E932 PolarHBondContact O-N 3.5Å |
| 929 | T | 88.4 | Confident | 85.8 | Confident | 66 Ų | 66 | 101.7 Ų | 101.7 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -27.1 | 175.1 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | S925 C926 K933 | S925-T929 PolarHBondContact O-N 3.45Å; S925-T929 PolarHBondContact O-OG1 3.03Å; C926-T929 PolarHBondContact O-OG1 3.39Å; T929-K933 PolarHBondContact O-N 3.1Å |
| 930 | A | 86.9 | Confident | 85.4 | Confident | 49 Ų | 49 | 102.3 Ų | 102.3 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C926 R927 M928 K933 Q934 | C926-A930 WeakPolarHBondContact O-CB 3.34Å; C926-A930 PolarHBondContact O-N 3.4Å; C926-A930 VanDerWaalsContact O-N 3.13Å; R927-A930 PolarHBondContact O-N 2.94Å; M928-A930 VanDerWaalsContact C-N 3.29Å; M928-A930 PolarHBondContact O-N 3.21Å; A930-K933 PolarHBondContact O-N 3.46Å; A930-Q934 PolarHBondContact O-N 2.7Å; A930-Q934 VanDerWaalsContact O-N 3.1Å |
| 931 | L | 85.6 | Confident | 84.9 | Confident | 101 Ų | 101 | 102.4 Ų | 102.4 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 173.8 | -81.2 | 163.8 | 0 | 0 | 0 | 112.1 | R927 M928 K933 Q934 V935 | R927-L931 PolarHBondContact O-N 3.25Å; M928-L931 CarbonylContact O-C 3.49Å; M928-L931 WeakPolarHBondContact O-CB 3.27Å; M928-L931 PolarHBondContact O-N 3.03Å; M928-L931 VanDerWaalsContact O-N 3.11Å; L931-K933 VanDerWaalsContact C-N 3.31Å; L931-K933 PolarHBondContact O-N 3.03Å; L931-Q934 PolarHBondContact O-N 3.15Å; L931-V935 WeakPolarHBondContact O-CG2 3.44Å; L931-V935 PolarHBondContact O-N 3Å |
| 932 | E | 89.7 | Confident | 84 | Confident | 112 Ų | 112 | 102.2 Ų | 102.2 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 174.6 | -73.9 | 172.7 | 161.3 | 0 | 0 | 111.8 | M928 V935 A936 | M928-E932 WeakPolarHBondContact O-CG 3.31Å; M928-E932 PolarHBondContact O-N 3.5Å; E932-V935 PolarHBondContact O-N 3.2Å; E932-A936 VanDerWaalsContact O-CB 3.32Å; E932-A936 WeakPolarHBondContact O-CB 3.18Å; E932-A936 PolarHBondContact O-N 3.09Å |
| 933 | K | 87.5 | Confident | 83.1 | Confident | 160 Ų | 160 | 100 Ų | 100 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -45.8 | 173.2 | -77.5 | 180 | 176.5 | 179.1 | 0 | 112.4 | T929 A930 L931 V935 A936 E937 | T929-K933 PolarHBondContact O-N 3.1Å; A930-K933 PolarHBondContact O-N 3.46Å; L931-K933 VanDerWaalsContact C-N 3.31Å; L931-K933 PolarHBondContact O-N 3.03Å; K933-V935 VanDerWaalsContact C-N 3.35Å; K933-V935 PolarHBondContact O-N 3.05Å; K933-A936 PolarHBondContact O-N 2.96Å; K933-E937 WeakPolarHBondContact O-CB 3.22Å; K933-E937 PolarHBondContact O-N 2.77Å |
| 934 | Q | 86.4 | Confident | 81.9 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 177.3 | -72.1 | 179.3 | -20.5 | 0 | 0 | 111.9 | A930 L931 E937 I938 | A930-Q934 PolarHBondContact O-N 2.7Å; A930-Q934 VanDerWaalsContact O-N 3.1Å; L931-Q934 PolarHBondContact O-N 3.15Å; Q934-E937 PolarHBondContact O-N 3.38Å; Q934-I938 WeakPolarHBondContact O-CB 3.32Å; Q934-I938 WeakPolarHBondContact O-CD1 3.39Å; Q934-I938 VanDerWaalsContact O-CG1 3.23Å; Q934-I938 WeakPolarHBondContact O-CG1 3.33Å; Q934-I938 PolarHBondContact O-N 2.57Å |
| 935 | V | 87.6 | Confident | 80.5 | Confident | 80 Ų | 80 | 104.3 Ų | 104.3 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L931 E932 K933 E937 I938 L939 | L931-V935 WeakPolarHBondContact O-CG2 3.44Å; L931-V935 PolarHBondContact O-N 3Å; E932-V935 PolarHBondContact O-N 3.2Å; K933-V935 VanDerWaalsContact C-N 3.35Å; K933-V935 PolarHBondContact O-N 3.05Å; V935-E937 PolarHBondContact O-N 3.21Å; V935-I938 PolarHBondContact O-N 3.25Å; V935-L939 HydrophobicContact CG1-CD1 3.91Å; V935-L939 HydrophobicContact CG1-CG 4.39Å; V935-L939 WeakPolarHBondContact O-CB 3.39Å; V935-L939 VanDerWaalsContact O-CG 3.25Å; V935-L939 WeakPolarHBondContact O-CG 3Å; V935-L939 PolarHBondContact O-N 3.08Å |
| 936 | A | 84.6 | Confident | 78.6 | Confident | 58 Ų | 58 | 105.3 Ų | 105.3 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E932 K933 L939 K940 | E932-A936 VanDerWaalsContact O-CB 3.32Å; E932-A936 WeakPolarHBondContact O-CB 3.18Å; E932-A936 PolarHBondContact O-N 3.09Å; K933-A936 PolarHBondContact O-N 2.96Å; A936-L939 PolarHBondContact O-N 2.78Å; A936-K940 PolarHBondContact O-N 2.95Å |
| 937 | E | 84.1 | Confident | 76.5 | Confident | 129 Ų | 129 | 108 Ų | 108 | 60% | 0.603 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.1 | -43.2 | 176 | -171.8 | 162.7 | -144.1 | 0 | 0 | 111.9 | K933 Q934 V935 L939 K940 I941 | K933-E937 WeakPolarHBondContact O-CB 3.22Å; K933-E937 PolarHBondContact O-N 2.77Å; Q934-E937 PolarHBondContact O-N 3.38Å; V935-E937 PolarHBondContact O-N 3.21Å; E937-L939 PolarHBondContact O-N 2.56Å; E937-K940 PolarHBondContact O-N 3.47Å; E937-I941 HydrophobicContact CG-CD1 4.29Å; E937-I941 WeakPolarHBondContact O-CG1 3.23Å; E937-I941 PolarHBondContact O-N 3.01Å |
| 938 | I | 84.1 | Confident | 74.2 | Confident | 98 Ų | 98 | 105.7 Ų | 105.7 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.5 | -43.8 | 172.2 | -69.9 | 163.7 | 0 | 0 | 0 | 111.1 | Q934 V935 K940 I941 L942 | Q934-I938 WeakPolarHBondContact O-CB 3.32Å; Q934-I938 WeakPolarHBondContact O-CD1 3.39Å; Q934-I938 VanDerWaalsContact O-CG1 3.23Å; Q934-I938 WeakPolarHBondContact O-CG1 3.33Å; Q934-I938 PolarHBondContact O-N 2.57Å; V935-I938 PolarHBondContact O-N 3.25Å; I938-K940 VanDerWaalsContact C-N 3.33Å; I938-K940 PolarHBondContact O-N 3.31Å; I938-I941 PolarHBondContact O-N 3.4Å; I938-L942 HydrophobicContact CG2-CD1 3.94Å; I938-L942 VanDerWaalsContact O-CG 3.31Å; I938-L942 WeakPolarHBondContact O-CG 3.44Å; I938-L942 PolarHBondContact O-N 3.01Å |
| 939 | L | 77.3 | Confident | 71.8 | Confident | 106 Ų | 106 | 109.8 Ų | 109.8 | 56% | 0.555 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.8 | -36.5 | 176.6 | -75.2 | 169.2 | 0 | 0 | 0 | 112.3 | V935 A936 E937 L942 S943 | V935-L939 HydrophobicContact CG1-CD1 3.91Å; V935-L939 HydrophobicContact CG1-CG 4.39Å; V935-L939 WeakPolarHBondContact O-CB 3.39Å; V935-L939 VanDerWaalsContact O-CG 3.25Å; V935-L939 WeakPolarHBondContact O-CG 3Å; V935-L939 PolarHBondContact O-N 3.08Å; A936-L939 PolarHBondContact O-N 2.78Å; E937-L939 PolarHBondContact O-N 2.56Å; L939-L942 PolarHBondContact O-N 3.48Å; L939-S943 PolarHBondContact O-N 3.31Å |
| 940 | K | 78.4 | Confident | 69.2 | Low | 120 Ų | 120 | 111.3 Ų | 111.3 | 52% | 0.522 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.3 | -44.9 | 173.5 | -170.2 | 179.4 | -176.1 | -86.7 | 0 | 111.8 | A936 E937 I938 L942 S943 E944 | A936-K940 PolarHBondContact O-N 2.95Å; E937-K940 PolarHBondContact O-N 3.47Å; I938-K940 VanDerWaalsContact C-N 3.33Å; I938-K940 PolarHBondContact O-N 3.31Å; K940-L942 VanDerWaalsContact C-N 3.26Å; K940-L942 PolarHBondContact O-N 2.91Å; K940-S943 PolarHBondContact O-N 3.38Å; K940-S943 PolarHBondContact O-OG 2.6Å; K940-E944 WeakPolarHBondContact CE-OE1 3.46Å; K940-E944 IonicContact NZ-OE1 3.98Å; K940-E944 PolarHBondContact NZ-OE1 2.69Å; K940-E944 WeakPolarHBondContact O-CG 3.16Å; K940-E944 PolarHBondContact O-N 2.76Å |
| 941 | I | 76.5 | Confident | 66.6 | Low | 102 Ų | 102 | 114.4 Ų | 114.4 | 52% | 0.523 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.5 | -35.4 | 176.6 | -67.7 | 163.7 | 0 | 0 | 0 | 111 | E937 I938 K945 | E937-I941 HydrophobicContact CG-CD1 4.29Å; E937-I941 WeakPolarHBondContact O-CG1 3.23Å; E937-I941 PolarHBondContact O-N 3.01Å; I938-I941 PolarHBondContact O-N 3.4Å; I941-K945 WeakPolarHBondContact O-CB 3.42Å; I941-K945 PolarHBondContact O-N 2.82Å |
| 942 | L | 67.3 | Low | 64.1 | Low | 100 Ų | 100 | 114.7 Ų | 114.7 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.6 | -35 | 174.8 | -70.8 | 168 | 0 | 0 | 0 | 113 | I938 L939 K940 K945 S946 | I938-L942 HydrophobicContact CG2-CD1 3.94Å; I938-L942 VanDerWaalsContact O-CG 3.31Å; I938-L942 WeakPolarHBondContact O-CG 3.44Å; I938-L942 PolarHBondContact O-N 3.01Å; L939-L942 PolarHBondContact O-N 3.48Å; K940-L942 VanDerWaalsContact C-N 3.26Å; K940-L942 PolarHBondContact O-N 2.91Å; L942-K945 PolarHBondContact O-N 3.37Å; L942-S946 WeakPolarHBondContact O-CB 3.46Å; L942-S946 PolarHBondContact O-N 2.65Å; L942-S946 PolarHBondContact O-OG 3.01Å |
| 943 | S | 66.6 | Low | 62.1 | Low | 66 Ų | 66 | 114.2 Ų | 114.2 | 46% | 0.462 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71 | -40.4 | 176.3 | 71.5 | 0 | 0 | 0 | 0 | 112 | L939 K940 K945 S946 | L939-S943 PolarHBondContact O-N 3.31Å; K940-S943 PolarHBondContact O-N 3.38Å; K940-S943 PolarHBondContact O-OG 2.6Å; S943-K945 PolarHBondContact O-N 2.87Å; S943-S946 WeakPolarHBondContact CA-OG 3.39Å; S943-S946 PolarHBondContact O-N 2.93Å; S943-S946 PolarHBondContact O-OG 3.11Å; S943-S946 VanDerWaalsContact O-OG 3.12Å |
| 944 | E | 62.2 | Low | 59.3 | Low | 124 Ų | 124 | 115.9 Ų | 115.9 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.4 | -23.6 | 175.3 | -72.2 | 174.6 | -173 | 0 | 0 | 112.5 | K940 | K940-E944 WeakPolarHBondContact CE-OE1 3.46Å; K940-E944 IonicContact NZ-OE1 3.98Å; K940-E944 PolarHBondContact NZ-OE1 2.69Å; K940-E944 WeakPolarHBondContact O-CG 3.16Å; K940-E944 PolarHBondContact O-N 2.76Å |
| 945 | K | 54.4 | Low | 56.5 | Low | 182 Ų | 182 | 115.2 Ų | 115.2 | 79% | 0.791 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 1.4 | 179.8 | -155.5 | 171.3 | -174.5 | 176.3 | 0 | 114.7 | I941 L942 S943 | I941-K945 WeakPolarHBondContact O-CB 3.42Å; I941-K945 PolarHBondContact O-N 2.82Å; L942-K945 PolarHBondContact O-N 3.37Å; S943-K945 PolarHBondContact O-N 2.87Å |
| 946 | S | 43.3 | Very low | 53.8 | Low | 83 Ų | 83 | 120.4 Ų | 120.4 | 58% | 0.58 | 67% | 0.666 | S | S | * | * | trans | -120.8 | 25.9 | -170.3 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | L942 S943 P948 | L942-S946 WeakPolarHBondContact O-CB 3.46Å; L942-S946 PolarHBondContact O-N 2.65Å; L942-S946 PolarHBondContact O-OG 3.01Å; S943-S946 WeakPolarHBondContact CA-OG 3.39Å; S943-S946 PolarHBondContact O-N 2.93Å; S943-S946 PolarHBondContact O-OG 3.11Å; S943-S946 VanDerWaalsContact O-OG 3.12Å; S946-P948 WeakPolarHBondContact O-CD 3.42Å | ||
| 947 | I | 41.8 | Very low | 51.1 | Low | 139 Ų | 139 | 125.7 Ų | 125.7 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | trans | -99.4 | 109.7 | 171.7 | -55.6 | 176.5 | 0 | 0 | 0 | 110.7 | ||||
| 948 | P | 40.3 | Very low | 49.1 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 127.6 | 171.4 | -4.2 | 23.5 | 0 | 0 | 0 | 110.5 | S946 | S946-P948 WeakPolarHBondContact O-CD 3.42Š|
| 949 | Q | 35.2 | Very low | 46.4 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 91% | 0.911 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 139.3 | 171.4 | -72.8 | -173.7 | -19.8 | 0 | 0 | 111.5 | ||
| 950 | A | 32.5 | Very low | 44.1 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 150.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 951 | S | 33.5 | Very low | 41.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 158.7 | 171.2 | 40.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 952 | S | 32.6 | Very low | 40.7 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | cis | -175 | -152.6 | -6.9 | 57.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 953 | P | 48.2 | Very low | 39.2 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | cis | -131.5 | 162.1 | -29 | 35.1 | -19.3 | 0 | 0 | 0 | 114.2 | ||||
| 954 | K | 28.3 | Very low | 37.3 | Very low | 195 Ų | 195 | 136.4 Ų | 136.4 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | 167.1 | 158 | 122.2 | -93.8 | 169.9 | -178 | 178.2 | 0 | 115.7 | |||||
| 955 | S | 28.3 | Very low | 36.1 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 66 | 118.8 | 155.7 | 46.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 956 | Q | 30.7 | Very low | 35.3 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | 76.5 | 102.6 | 135.9 | -70.4 | 172.4 | -26.9 | 0 | 0 | 121 | ||||
| 957 | M | 26.9 | Very low | 34.6 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -52.3 | 163.3 | 139 | -84.3 | -169.5 | 86.4 | 0 | 0 | 112 | ||||
| 958 | P | 42.6 | Very low | 34.1 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -150.9 | 176.3 | 37.3 | 44.4 | -24.6 | 0 | 0 | 0 | 120.8 | ||||
| 959 | L | 27.4 | Very low | 33.7 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 83.3 | 146.1 | 143.5 | -85.7 | 157.6 | 0 | 0 | 0 | 122.8 | ||||
| 960 | Q | 29.8 | Very low | 33.5 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | 61.6 | 108.9 | 163.3 | -72.2 | 160.5 | -27.8 | 0 | 0 | 117.8 | ||||
| 961 | V | 29.4 | Very low | 33.5 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 71.4 | 123.9 | 58.2 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 962 | P | 53.8 | Low | 33.4 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -96.4 | -178.9 | -158.3 | 40.6 | -40 | 0 | 0 | 0 | 115 | ||||
| 963 | P | 35.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | -145.4 | 152.5 | 117 | 38.5 | -24.6 | 0 | 0 | 0 | 117.2 | |||||
| 964 | Q | 26.6 | Very low | 32.6 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 34.8 | 123.1 | 133.3 | -54.6 | 170.2 | -6.8 | 0 | 0 | 119.3 | ||||
| 965 | I | 36.2 | Very low | 32.5 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | 54.5 | 114.6 | 68.1 | -59.9 | 179.2 | 0 | 0 | 0 | 111 | |||||
| 966 | P | 39 | Very low | 33.1 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | -147.9 | 178.8 | 77.3 | 40.5 | -21.4 | 0 | 0 | 0 | 118.5 | |||||
| 967 | C | 28.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | trans | -65.6 | 163.4 | -173.2 | -44.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 968 | Q | 30 | Very low | 33.1 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | -177.3 | 159.5 | 111.6 | -95.7 | -179.7 | -10.7 | 0 | 0 | 109 | |||||
| 969 | D | 33.1 | Very low | 33.1 | Very low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | cis | 178.6 | 154.3 | -39.2 | -111.9 | -51.8 | 0 | 0 | 0 | 106.3 | ||||
| 970 | I | 30.1 | Very low | 33.2 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 174.7 | 114.3 | 147.9 | -93.9 | 152.5 | 0 | 0 | 0 | 111 | ||||
| 971 | F | 33 | Very low | 33.2 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 38.1 | 145.4 | 146.6 | -65 | -100.2 | 0 | 0 | 0 | 123.1 | ||||
| 972 | S | 30.7 | Very low | 33.2 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | cis | 179.8 | 138.5 | -18.6 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 973 | V | 35.9 | Very low | 32.2 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 67.1 | 144.8 | 146.5 | 175.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 974 | S | 27.9 | Very low | 32 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | cis | -138.3 | 161.2 | 14 | 5.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 975 | R | 27.8 | Very low | 32.5 | Very low | 219 Ų | 219 | 142.6 Ų | 142.6 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -92.1 | -176.6 | 164.3 | -110.9 | -172.2 | -177.5 | 176.2 | -1 | 110.4 | ||||
| 976 | P | 41.2 | Very low | 32.4 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | cis | -134.7 | -157.2 | 15 | 46.2 | -26.6 | 0 | 0 | 0 | 113 | ||||
| 977 | E | 26 | Very low | 31.9 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | cis | -152.1 | -154.5 | -6.6 | -149.5 | 52.4 | -77.2 | 0 | 0 | 111.1 | ||||
| 978 | S | 30.7 | Very low | 32.2 | Very low | 88 Ų | 88 | 153.3 Ų | 153.3 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | trans | -145.6 | -169.6 | 173.8 | 64.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 979 | P | 42.3 | Very low | 32.3 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -130 | 175.9 | 49.8 | 39.2 | -19.1 | 0 | 0 | 0 | 112.7 | ||||
| 980 | E | 30.3 | Very low | 32.3 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | cis | 61.1 | 139.3 | 44.8 | -58.1 | -172.5 | 159.3 | 0 | 0 | 113.3 | ||||
| 981 | S | 29.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | cis | -117.5 | -167.7 | 5 | 57.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 982 | D | 27.6 | Very low | 32.4 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | cis | -154.4 | 176 | 21.2 | -121.3 | -48.2 | 0 | 0 | 0 | 113.6 | ||||
| 983 | K | 33.6 | Very low | 32.5 | Very low | 188 Ų | 188 | 155.4 Ų | 155.4 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -96.3 | 152 | 170.4 | -61.8 | 173.9 | -178.5 | 173.9 | 0 | 111.1 | ||||
| 984 | D | 32 | Very low | 32.2 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -162 | 142.9 | 138.5 | -113.5 | -22.2 | 0 | 0 | 0 | 112.8 | ||||
| 985 | E | 36.3 | Very low | 32.5 | Very low | 195 Ų | 195 | 159.7 Ų | 159.7 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -103.4 | 110.5 | 169.7 | -70 | -177.7 | 121.1 | 0 | 0 | 109.4 | ||||
| 986 | I | 34.2 | Very low | 32.9 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 125 | 168.4 | -59.3 | -176.7 | 0 | 0 | 0 | 110.3 | ||||
| 987 | H | 29.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 159.4 Ų | 159.4 | 82% | 0.819 | 81% | 0.808 | S | S | * | * | trans | -63 | 135.7 | 167.8 | -85.8 | -91.3 | 0 | 0 | 0 | 111.6 | ||||
| 988 | F | 34.3 | Very low | 32.8 | Very low | 282 Ų | 282 | 160.5 Ų | 160.5 | 100% | 1.237 | 82% | 0.819 | S | S | * | * | -160.8 | 0 | 124.3 | -105.3 | -64 | 0 | 0 | 0 | 112 |
Retrieved 988 of 988 residues in 2285.5 ms
(Link to these results)