| 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 | N | 31.1 | Very low | 53.4 | Low | 191 Ų | 191 | 124.7 Ų | 124.7 | 100% | 1.021 | 63% | 0.631 | S | S | * | * | 0 | 16.4 | 0 | -79.9 | -9.4 | 0 | 0 | 0 | 117.1 | |||||
| 2 | M | 25.5 | Very low | 55.3 | Low | 171 Ų | 171 | 115.3 Ų | 115.3 | 84% | 0.842 | 58% | 0.583 | S | S | * | * | trans | -82 | -36.6 | 167.4 | -81.9 | -176.7 | 166.4 | 0 | 0 | 113.4 | S4 R5 | M2-S4 PolarHBondContact O-N 3.04Å; M2-R5 PolarHBondContact O-N 2.85Å | ||
| 3 | A | 34.2 | Very low | 57.1 | Low | 93 Ų | 93 | 111.8 Ų | 111.8 | 77% | 0.769 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -14.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 4 | S | 42.1 | Very low | 58.4 | Low | 67 Ų | 67 | 105.5 Ų | 105.5 | 47% | 0.469 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -23.8 | 173.9 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | M2 Q6 | M2-S4 PolarHBondContact O-N 3.04Å; S4-Q6 PolarHBondContact O-N 2.91Å |
| 5 | R | 41.4 | Very low | 59.2 | Low | 204 Ų | 204 | 101.9 Ų | 101.9 | 77% | 0.77 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.8 | -168.2 | -76.4 | -174.2 | 167.9 | -175.4 | -3 | 115.1 | M2 | M2-R5 PolarHBondContact O-N 2.85Š|
| 6 | Q | 51.2 | Low | 60.3 | Low | 118 Ų | 118 | 106.3 Ų | 106.3 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 7.9 | 176.9 | -76.8 | -178.1 | -28.5 | 0 | 0 | 114.4 | S4 N8 | S4-Q6 PolarHBondContact O-N 2.91Å; Q6-N8 PolarHBondContact O-N 3.06Å |
| 7 | R | 60.1 | Low | 61 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 53% | 0.528 | 54% | 0.543 | S | S | . | . | trans | -71.2 | 14.9 | -179.5 | -77.2 | -173.6 | 162.5 | 143.4 | -1.5 | 116.2 | L32 E35 | R7-L32 HydrophobicContact CB-CD2 4.21Å; R7-L32 HydrophobicContact CG-CD2 4.17Å; R7-E35 IonicContact CZ-OE2 2.34Å; R7-E35 VanDerWaalsContact CZ-OE2 3.27Å; R7-E35 IonicContact NE-OE2 3.59Å; R7-E35 PolarHBondContact NE-OE2 3.35Å; R7-E35 VanDerWaalsContact NE-OE2 3.08Å; R7-E35 IonicContact NH2-OE1 3.54Å; R7-E35 IonicContact NH2-OE2 2.71Å; R7-E35 PolarHBondContact NH2-OE2 2.96Å | ||
| 8 | N | 72.7 | Confident | 61.9 | Low | 69 Ų | 69 | 114.3 Ų | 114.3 | 37% | 0.369 | 56% | 0.556 | S | S | . | * | trans | -110.3 | 109.8 | -177 | -178.3 | -34.6 | 0 | 0 | 0 | 109.3 | Q6 V10 R11 I12 | Q6-N8 PolarHBondContact O-N 3.06Å; N8-V10 VanDerWaalsContact C-N 3.32Å; N8-V10 PolarHBondContact O-N 3.06Å; N8-V10 WeakPolarHBondContact OD1-CA 3.24Å; N8-V10 VanDerWaalsContact OD1-CB 3.31Å; N8-V10 WeakPolarHBondContact OD1-CB 3.11Å; N8-V10 PolarHBondContact OD1-N 3.18Å; N8-R11 HydrophobicContact CB-CB 4.11Å; N8-R11 HydrophobicContact CB-CG 4.06Å; N8-R11 WeakPolarHBondContact O-CB 3.41Å; N8-R11 PolarHBondContact O-N 3.41Å; N8-R11 VanDerWaalsContact O-N 3.07Å; N8-R11 PolarHBondContact OD1-N 3.38Å; N8-R11 VanDerWaalsContact OD1-N 3.08Å; N8-I12 PolarHBondContact O-N 3.03Å; N8-I12 VanDerWaalsContact O-N 3.13Å | ||
| 9 | S | 77.6 | Confident | 61.7 | Low | 60 Ų | 60 | 111.4 Ų | 111.4 | 42% | 0.42 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57 | -42.2 | 179 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | R11 I12 L13 | S9-R11 VanDerWaalsContact C-N 3.26Å; S9-R11 PolarHBondContact O-N 3.15Å; S9-I12 PolarHBondContact O-N 2.92Å; S9-I12 VanDerWaalsContact O-N 3.08Å; S9-L13 WeakPolarHBondContact O-CB 3.35Å; S9-L13 WeakPolarHBondContact O-CG 3.49Å; S9-L13 PolarHBondContact O-N 2.63Å |
| 10 | V | 77.9 | Confident | 61.7 | Low | 97 Ų | 97 | 108.7 Ų | 108.7 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.6 | -35.7 | 176.5 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | N8 S14 | N8-V10 VanDerWaalsContact C-N 3.32Å; N8-V10 PolarHBondContact O-N 3.06Å; N8-V10 WeakPolarHBondContact OD1-CA 3.24Å; N8-V10 VanDerWaalsContact OD1-CB 3.31Å; N8-V10 WeakPolarHBondContact OD1-CB 3.11Å; N8-V10 PolarHBondContact OD1-N 3.18Å; V10-S14 VanDerWaalsContact O-CB 3.25Å; V10-S14 WeakPolarHBondContact O-CB 3.25Å; V10-S14 PolarHBondContact O-N 3.03Å; V10-S14 PolarHBondContact O-OG 3.39Å |
| 11 | R | 73.6 | Confident | 61.2 | Low | 162 Ų | 162 | 111.2 Ų | 111.2 | 61% | 0.611 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.6 | -38.4 | 173.3 | -72.7 | -173.4 | 174.7 | -173.8 | -3.7 | 112.8 | N8 S9 S15 | N8-R11 HydrophobicContact CB-CB 4.11Å; N8-R11 HydrophobicContact CB-CG 4.06Å; N8-R11 WeakPolarHBondContact O-CB 3.41Å; N8-R11 PolarHBondContact O-N 3.41Å; N8-R11 VanDerWaalsContact O-N 3.07Å; N8-R11 PolarHBondContact OD1-N 3.38Å; N8-R11 VanDerWaalsContact OD1-N 3.08Å; S9-R11 VanDerWaalsContact C-N 3.26Å; S9-R11 PolarHBondContact O-N 3.15Å; R11-S15 VanDerWaalsContact O-CB 3.29Å; R11-S15 WeakPolarHBondContact O-CB 3.33Å; R11-S15 PolarHBondContact O-N 2.73Å; R11-S15 PolarHBondContact O-OG 3.37Å |
| 12 | I | 76.6 | Confident | 62.3 | Low | 12 Ų | 12 | 105.1 Ų | 105.1 | 6% | 0.062 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 177.7 | -60 | 160.5 | 0 | 0 | 0 | 110.5 | N8 S9 S15 R16 S25 L28 L29 L32 | N8-I12 PolarHBondContact O-N 3.03Å; N8-I12 VanDerWaalsContact O-N 3.13Å; S9-I12 PolarHBondContact O-N 2.92Å; S9-I12 VanDerWaalsContact O-N 3.08Å; I12-S15 PolarHBondContact O-N 3.05Å; I12-R16 PolarHBondContact O-N 2.86Å; I12-S25 WeakPolarHBondContact CG2-O 3.49Å; I12-L28 HydrophobicContact CD1-CB 3.91Å; I12-L29 HydrophobicContact CB-CD2 4.23Å; I12-L29 HydrophobicContact CB-CG 4.47Å; I12-L29 HydrophobicContact CD1-CD2 4.16Å; I12-L29 HydrophobicContact CG2-CD1 4.22Å; I12-L29 HydrophobicContact CG2-CD2 4.2Å; I12-L29 HydrophobicContact CG2-CG 3.89Å; I12-L32 HydrophobicContact CD1-CD1 3.48Å; I12-L32 VanDerWaalsContact CD1-CD1 3.48Å |
| 13 | L | 78.6 | Confident | 63.4 | Low | 69 Ų | 69 | 106.3 Ų | 106.3 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -51.3 | 178.3 | -67.4 | 169.3 | 0 | 0 | 0 | 111.4 | S9 S15 R16 E17 L29 | S9-L13 WeakPolarHBondContact O-CB 3.35Å; S9-L13 WeakPolarHBondContact O-CG 3.49Å; S9-L13 PolarHBondContact O-N 2.63Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.43Å; L13-R16 WeakPolarHBondContact O-CA 3.33Å; L13-R16 WeakPolarHBondContact O-CB 3.14Å; L13-R16 PolarHBondContact O-N 3.26Å; L13-E17 WeakPolarHBondContact O-CG 3.45Å; L13-E17 PolarHBondContact O-N 3.03Å; L13-L29 HydrophobicContact CD2-CD1 3.9Å |
| 14 | S | 75.4 | Confident | 64.7 | Low | 24 Ų | 24 | 103.6 Ų | 103.6 | 17% | 0.168 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -66.5 | -23.4 | 177.2 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | V10 E17 R18 | V10-S14 VanDerWaalsContact O-CB 3.25Å; V10-S14 WeakPolarHBondContact O-CB 3.25Å; V10-S14 PolarHBondContact O-N 3.03Å; V10-S14 PolarHBondContact O-OG 3.39Å; S14-E17 WeakPolarHBondContact CA-OE2 3.31Å; S14-R18 WeakPolarHBondContact O-CB 3.29Å; S14-R18 VanDerWaalsContact O-CD 3.24Å; S14-R18 WeakPolarHBondContact O-CD 3.44Å; S14-R18 WeakPolarHBondContact O-CG 3.46Å; S14-R18 PolarHBondContact O-N 3.13Å; S14-R18 VanDerWaalsContact O-N 3.15Å |
| 15 | S | 70.7 | Confident | 66.2 | Low | 51 Ų | 51 | 101.4 Ų | 101.4 | 36% | 0.357 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 167.4 | -75.7 | 0 | 0 | 0 | 0 | 111.9 | R11 I12 L13 R18 S20 | R11-S15 VanDerWaalsContact O-CB 3.29Å; R11-S15 WeakPolarHBondContact O-CB 3.33Å; R11-S15 PolarHBondContact O-N 2.73Å; R11-S15 PolarHBondContact O-OG 3.37Å; I12-S15 PolarHBondContact O-N 3.05Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.43Å; S15-R18 PolarHBondContact O-N 3.33Å; S15-S20 WeakPolarHBondContact O-CA 3.4Å; S15-S20 WeakPolarHBondContact O-CB 3.47Å; S15-S20 PolarHBondContact O-N 2.98Å |
| 16 | R | 75.7 | Confident | 67.9 | Low | 172 Ų | 172 | 97.2 Ų | 97.2 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61 | -46 | 174.3 | 168.4 | -177.6 | 163.5 | 179.7 | -5.2 | 111.7 | I12 L13 R18 G19 | I12-R16 PolarHBondContact O-N 2.86Å; L13-R16 WeakPolarHBondContact O-CA 3.33Å; L13-R16 WeakPolarHBondContact O-CB 3.14Å; L13-R16 PolarHBondContact O-N 3.26Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 3.07Å; R16-G19 PolarHBondContact O-N 3.08Å |
| 17 | E | 73.6 | Confident | 69.3 | Low | 149 Ų | 149 | 97 Ų | 97 | 70% | 0.696 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.5 | -36.4 | 178.4 | -70.5 | 159.6 | -172.7 | 0 | 0 | 112.2 | L13 S14 G19 | L13-E17 WeakPolarHBondContact O-CG 3.45Å; L13-E17 PolarHBondContact O-N 3.03Å; S14-E17 WeakPolarHBondContact CA-OE2 3.31Å; E17-G19 PolarHBondContact O-N 3.08Å |
| 18 | R | 77 | Confident | 70.3 | Confident | 208 Ų | 208 | 92.9 Ų | 92.9 | 79% | 0.785 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 24 | 175.4 | -68.6 | 168.9 | -174.3 | -176.6 | -0.7 | 113.6 | S14 S15 R16 S20 | S14-R18 WeakPolarHBondContact O-CB 3.29Å; S14-R18 VanDerWaalsContact O-CD 3.24Å; S14-R18 WeakPolarHBondContact O-CD 3.44Å; S14-R18 WeakPolarHBondContact O-CG 3.46Å; S14-R18 PolarHBondContact O-N 3.13Å; S14-R18 VanDerWaalsContact O-N 3.15Å; S15-R18 PolarHBondContact O-N 3.33Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 3.07Å; R18-S20 PolarHBondContact O-N 3.02Å |
| 19 | G | 57.5 | Low | 70.9 | Confident | 60 Ų | 60 | 91.5 Ų | 91.5 | 62% | 0.619 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 7.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | R16 E17 Q21 | R16-G19 PolarHBondContact O-N 3.08Å; E17-G19 PolarHBondContact O-N 3.08Å; G19-Q21 VanDerWaalsContact C-N 3.33Å; G19-Q21 PolarHBondContact O-N 3.4Å |
| 20 | S | 60.8 | Low | 71.2 | Confident | 56 Ų | 56 | 91 Ų | 91 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | trans | -77.2 | 88.6 | 177.3 | -163.9 | 0 | 0 | 0 | 0 | 109.1 | S15 R18 T22 | S15-S20 WeakPolarHBondContact O-CA 3.4Å; S15-S20 WeakPolarHBondContact O-CB 3.47Å; S15-S20 PolarHBondContact O-N 2.98Å; R18-S20 PolarHBondContact O-N 3.02Å; S20-T22 PolarHBondContact O-N 3.35Å; S20-T22 PolarHBondContact O-OG1 3.43Å | ||
| 21 | Q | 51.6 | Low | 71.6 | Confident | 163 Ų | 163 | 89.1 Ų | 89.1 | 76% | 0.762 | 44% | 0.438 | S | S | * | . | trans | -66.9 | 67.5 | 167.6 | -67.6 | -155.8 | 23 | 0 | 0 | 110.8 | G19 F23 | G19-Q21 VanDerWaalsContact C-N 3.33Å; G19-Q21 PolarHBondContact O-N 3.4Å; Q21-F23 VanDerWaalsContact C-N 3.3Å; Q21-F23 PolarHBondContact O-N 3.03Å | ||
| 22 | T | 54.2 | Low | 72.2 | Confident | 62 Ų | 62 | 83 Ų | 83 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | trans | -68.1 | 95 | 158.4 | 41.6 | 0 | 0 | 0 | 0 | 107.1 | S20 G24 S25 | S20-T22 PolarHBondContact O-N 3.35Å; S20-T22 PolarHBondContact O-OG1 3.43Å; T22-G24 PolarHBondContact O-N 3.28Å; T22-S25 WeakPolarHBondContact O-CB 3.49Å; T22-S25 PolarHBondContact O-N 2.88Å; T22-S25 PolarHBondContact O-OG 3.12Å | ||
| 23 | F | 49.4 | Very low | 72.7 | Confident | 197 Ų | 197 | 85.2 Ų | 85.2 | 86% | 0.864 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48 | 114.4 | 164.7 | -77.7 | -98.3 | 0 | 0 | 0 | 107.9 | Q21 | Q21-F23 VanDerWaalsContact C-N 3.3Å; Q21-F23 PolarHBondContact O-N 3.03Å |
| 24 | G | 61.5 | Low | 73 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.7 | -4.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | T22 Q26 R27 L28 | T22-G24 PolarHBondContact O-N 3.28Å; G24-Q26 PolarHBondContact O-N 2.93Å; G24-R27 PolarHBondContact O-N 2.97Å; G24-L28 WeakPolarHBondContact O-CG 3.42Å; G24-L28 PolarHBondContact O-N 3.25Å |
| 25 | S | 72.8 | Confident | 73.5 | Confident | 21 Ų | 21 | 82.9 Ų | 82.9 | 15% | 0.147 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -54.8 | -39.1 | 172.2 | 54 | 0 | 0 | 0 | 0 | 112.8 | I12 T22 L29 | I12-S25 WeakPolarHBondContact CG2-O 3.49Å; T22-S25 WeakPolarHBondContact O-CB 3.49Å; T22-S25 PolarHBondContact O-N 2.88Å; T22-S25 PolarHBondContact O-OG 3.12Å; S25-L29 WeakPolarHBondContact O-CG 3.21Å; S25-L29 PolarHBondContact O-N 3.05Å; S25-L29 VanDerWaalsContact O-N 3.12Å |
| 26 | Q | 77.6 | Confident | 74.1 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 54% | 0.542 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 170.9 | -178.7 | 173.8 | -13.8 | 0 | 0 | 112.7 | G24 L28 L29 Q30 | G24-Q26 PolarHBondContact O-N 2.93Å; Q26-L28 VanDerWaalsContact C-N 3.29Å; Q26-L28 PolarHBondContact O-N 3.49Å; Q26-L29 PolarHBondContact O-N 2.97Å; Q26-L29 VanDerWaalsContact O-N 3.09Å; Q26-Q30 PolarHBondContact O-N 3.1Å |
| 27 | R | 80.8 | Confident | 74.4 | Confident | 115 Ų | 115 | 79.6 Ų | 79.6 | 43% | 0.434 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 177.7 | -167.5 | 172.5 | 179.9 | 169.4 | 1.1 | 111.6 | G24 Q30 L31 D900 M953 | G24-R27 PolarHBondContact O-N 2.97Å; R27-Q30 PolarHBondContact O-N 3.2Å; R27-L31 HydrophobicContact CG-CD1 4.32Å; R27-L31 WeakPolarHBondContact O-CB 3.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.48Å; R27-L31 VanDerWaalsContact O-CG 3.25Å; R27-L31 WeakPolarHBondContact O-CG 3.31Å; R27-L31 PolarHBondContact O-N 2.88Å; R27-D900 IonicContact CZ-OD2 3.7Å; R27-D900 IonicContact NH1-OD2 3.92Å; R27-D900 IonicContact NH2-OD2 2.71Å; R27-D900 PolarHBondContact NH2-OD2 3.45Å; R27-M953 HydrophobicContact CG-SD 4.04Å |
| 28 | L | 81.3 | Confident | 74.6 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 173.2 | -71.4 | 172.5 | 0 | 0 | 0 | 112.7 | I12 G24 Q26 L32 | I12-L28 HydrophobicContact CD1-CB 3.91Å; G24-L28 WeakPolarHBondContact O-CG 3.42Å; G24-L28 PolarHBondContact O-N 3.25Å; Q26-L28 VanDerWaalsContact C-N 3.29Å; Q26-L28 PolarHBondContact O-N 3.49Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.35Å; L28-L32 VanDerWaalsContact O-N 3.11Å |
| 29 | L | 83.9 | Confident | 74.7 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.8 | -43.4 | 173.1 | -70.8 | 168.9 | 0 | 0 | 0 | 111.4 | I12 L13 S25 Q26 L31 L32 V33 | I12-L29 HydrophobicContact CB-CD2 4.23Å; I12-L29 HydrophobicContact CB-CG 4.47Å; I12-L29 HydrophobicContact CD1-CD2 4.16Å; I12-L29 HydrophobicContact CG2-CD1 4.22Å; I12-L29 HydrophobicContact CG2-CD2 4.2Å; I12-L29 HydrophobicContact CG2-CG 3.89Å; L13-L29 HydrophobicContact CD2-CD1 3.9Å; S25-L29 WeakPolarHBondContact O-CG 3.21Å; S25-L29 PolarHBondContact O-N 3.05Å; S25-L29 VanDerWaalsContact O-N 3.12Å; Q26-L29 PolarHBondContact O-N 2.97Å; Q26-L29 VanDerWaalsContact O-N 3.09Å; L29-L31 PolarHBondContact O-N 2.93Å; L29-L32 PolarHBondContact O-N 3.15Å; L29-V33 WeakPolarHBondContact O-CB 3.37Å; L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 3.09Å |
| 30 | Q | 85.6 | Confident | 75.9 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 175.3 | -75.6 | 170.5 | -50.1 | 0 | 0 | 112.2 | Q26 R27 L32 V33 E34 M953 P1021 | Q26-Q30 PolarHBondContact O-N 3.1Å; R27-Q30 PolarHBondContact O-N 3.2Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.41Å; Q30-V33 WeakPolarHBondContact O-CB 3.45Å; Q30-V33 PolarHBondContact O-N 3.37Å; Q30-E34 PolarHBondContact O-N 3.47Å; Q30-M953 HydrophobicContact CB-CE 4.41Å; Q30-M953 HydrophobicContact CB-CG 4.23Å; Q30-M953 HydrophobicContact CB-SD 3.58Å; Q30-M953 VanDerWaalsContact CB-SD 3.58Å; Q30-P1021 HydrophobicContact CB-CG 4.08Å; Q30-P1021 HydrophobicContact CG-CG 4.18Å |
| 31 | L | 86 | Confident | 76.9 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 172.9 | -78 | 163.9 | 0 | 0 | 0 | 112.9 | R27 L29 E35 M953 C955 | R27-L31 HydrophobicContact CG-CD1 4.32Å; R27-L31 WeakPolarHBondContact O-CB 3.4Å; R27-L31 WeakPolarHBondContact O-CD1 3.48Å; R27-L31 VanDerWaalsContact O-CG 3.25Å; R27-L31 WeakPolarHBondContact O-CG 3.31Å; R27-L31 PolarHBondContact O-N 2.88Å; L29-L31 PolarHBondContact O-N 2.93Å; L31-E35 WeakPolarHBondContact O-CB 3.39Å; L31-E35 PolarHBondContact O-N 3.17Å; L31-M953 HydrophobicContact CD2-CB 3.69Å; L31-M953 HydrophobicContact CD2-CG 4.21Å; L31-M953 HydrophobicContact CG-CB 4.34Å; L31-M953 HydrophobicContact CG-CG 4.34Å; L31-M953 HydrophobicContact CG-SD 4.25Å; L31-C955 VanDerWaalsContact CD2-SG 3.51Å |
| 32 | L | 85.3 | Confident | 78.4 | Confident | 33 Ų | 33 | 72.7 Ų | 72.7 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 175.3 | -78.5 | 171.2 | 0 | 0 | 0 | 112.6 | R7 I12 L28 L29 Q30 K36 | R7-L32 HydrophobicContact CB-CD2 4.21Å; R7-L32 HydrophobicContact CG-CD2 4.17Å; I12-L32 HydrophobicContact CD1-CD1 3.48Å; I12-L32 VanDerWaalsContact CD1-CD1 3.48Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.35Å; L28-L32 VanDerWaalsContact O-N 3.11Å; L29-L32 PolarHBondContact O-N 3.15Å; Q30-L32 VanDerWaalsContact C-N 3.33Å; Q30-L32 PolarHBondContact O-N 3.41Å; L32-K36 WeakPolarHBondContact O-CB 3.47Å; L32-K36 WeakPolarHBondContact O-CG 3.41Å; L32-K36 PolarHBondContact O-N 3.42Å |
| 33 | V | 86.6 | Confident | 79.9 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 173.7 | 165.3 | 0 | 0 | 0 | 0 | 109.9 | L29 Q30 E35 K36 V37 P1021 A1022 | L29-V33 WeakPolarHBondContact O-CB 3.37Å; L29-V33 VanDerWaalsContact O-CG2 3.31Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 3.09Å; Q30-V33 WeakPolarHBondContact O-CB 3.45Å; Q30-V33 PolarHBondContact O-N 3.37Å; V33-E35 PolarHBondContact O-N 3.49Å; V33-K36 WeakPolarHBondContact O-CA 3.25Å; V33-K36 WeakPolarHBondContact O-CB 3.5Å; V33-K36 PolarHBondContact O-N 2.86Å; V33-V37 HydrophobicContact CG1-CG2 4.15Å; V33-V37 WeakPolarHBondContact O-CB 3.06Å; V33-V37 WeakPolarHBondContact O-CG2 3.41Å; V33-V37 PolarHBondContact O-N 3.23Å; V33-P1021 HydrophobicContact CG1-CB 4.33Å; V33-A1022 HydrophobicContact CG1-CB 3.52Å |
| 34 | E | 86.9 | Confident | 81.8 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 178.2 | -153.2 | 176.3 | 104.6 | 0 | 0 | 112.5 | Q30 K36 S951 M953 C955 Y956 | Q30-E34 PolarHBondContact O-N 3.47Å; E34-K36 PolarHBondContact O-N 3.03Å; E34-S951 VanDerWaalsContact OE1-CB 3.29Å; E34-S951 WeakPolarHBondContact OE1-CB 3.29Å; E34-S951 PolarHBondContact OE1-OG 3.39Å; E34-M953 VanDerWaalsContact OE2-CB 3.32Å; E34-M953 WeakPolarHBondContact OE2-CB 3.38Å; E34-M953 WeakPolarHBondContact OE2-CG 3.25Å; E34-M953 PolarHBondContact OE2-N 2.99Å; E34-M953 VanDerWaalsContact OE2-N 3.08Å; E34-C955 WeakPolarHBondContact OE1-CB 3.37Å; E34-Y956 HydrophobicContact CG-CD2 4.08Å; E34-Y956 HydrophobicContact CG-CE2 4.04Å; E34-Y956 WeakPolarHBondContact OE1-CD2 3.32Å |
| 35 | E | 84.6 | Confident | 83 | Confident | 35 Ų | 35 | 70 Ų | 70 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -22.6 | 172.3 | 166.2 | 135 | -99.4 | 0 | 0 | 112.8 | R7 L31 V33 R38 W39 R981 | R7-E35 IonicContact CZ-OE2 2.34Å; R7-E35 VanDerWaalsContact CZ-OE2 3.27Å; R7-E35 IonicContact NE-OE2 3.59Å; R7-E35 PolarHBondContact NE-OE2 3.35Å; R7-E35 VanDerWaalsContact NE-OE2 3.08Å; R7-E35 IonicContact NH2-OE1 3.54Å; R7-E35 IonicContact NH2-OE2 2.71Å; R7-E35 PolarHBondContact NH2-OE2 2.96Å; L31-E35 WeakPolarHBondContact O-CB 3.39Å; L31-E35 PolarHBondContact O-N 3.17Å; V33-E35 PolarHBondContact O-N 3.49Å; E35-R38 VanDerWaalsContact CG-NH1 3.33Å; E35-R38 PolarHBondContact O-NH1 3.05Å; E35-R38 IonicContact OE1-CZ 3.36Å; E35-R38 IonicContact OE1-NH1 2.72Å; E35-R38 PolarHBondContact OE1-NH1 2.61Å; E35-R38 IonicContact OE1-NH2 2.71Å; E35-R38 PolarHBondContact OE1-NH2 2.89Å; E35-W39 PolarHBondContact O-NE1 2.83Å; E35-R981 IonicContact OE1-CZ 3.51Å; E35-R981 VanDerWaalsContact OE1-CZ 3.3Å; E35-R981 IonicContact OE1-NH1 2.74Å; E35-R981 PolarHBondContact OE1-NH1 3.11Å; E35-R981 IonicContact OE1-NH2 3.43Å; E35-R981 PolarHBondContact OE1-NH2 3.17Å; E35-R981 IonicContact OE2-NH2 2.73Å |
| 36 | K | 83.6 | Confident | 83.8 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -86.5 | -42.8 | 175.7 | -76 | -75.2 | -177.4 | 173.1 | 0 | 113.3 | L32 V33 E34 R38 W39 | L32-K36 WeakPolarHBondContact O-CB 3.47Å; L32-K36 WeakPolarHBondContact O-CG 3.41Å; L32-K36 PolarHBondContact O-N 3.42Å; V33-K36 WeakPolarHBondContact O-CA 3.25Å; V33-K36 WeakPolarHBondContact O-CB 3.5Å; V33-K36 PolarHBondContact O-N 2.86Å; E34-K36 PolarHBondContact O-N 3.03Å; K36-R38 PolarHBondContact O-N 3.42Å; K36-W39 PolarHBondContact O-N 3.3Å |
| 37 | V | 82.4 | Confident | 84.5 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.7 | -36.5 | -177.1 | 161.5 | 0 | 0 | 0 | 0 | 112.9 | V33 W39 M40 W42 A1022 P1039 | V33-V37 HydrophobicContact CG1-CG2 4.15Å; V33-V37 WeakPolarHBondContact O-CB 3.06Å; V33-V37 WeakPolarHBondContact O-CG2 3.41Å; V33-V37 PolarHBondContact O-N 3.23Å; V37-W39 PolarHBondContact O-N 3.36Å; V37-M40 HydrophobicContact CG2-SD 4.4Å; V37-M40 WeakPolarHBondContact O-CB 3.38Å; V37-M40 PolarHBondContact O-N 2.95Å; V37-W42 HydrophobicContact CG1-CH2 4.18Å; V37-W42 HydrophobicContact CG1-CZ2 3.74Å; V37-A1022 HydrophobicContact CG2-CB 3.4Å; V37-A1022 VanDerWaalsContact CG2-CB 3.4Å; V37-P1039 HydrophobicContact CG1-CB 3.96Å; V37-P1039 HydrophobicContact CG1-CG 3.88Å; V37-P1039 HydrophobicContact CG2-CG 4.47Å |
| 38 | R | 78.1 | Confident | 84.8 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.5 | 177.3 | 79.5 | 177.6 | -177.4 | -115.2 | -3.2 | 115.2 | E35 K36 Y956 V995 | E35-R38 VanDerWaalsContact CG-NH1 3.33Å; E35-R38 PolarHBondContact O-NH1 3.05Å; E35-R38 IonicContact OE1-CZ 3.36Å; E35-R38 IonicContact OE1-NH1 2.72Å; E35-R38 PolarHBondContact OE1-NH1 2.61Å; E35-R38 IonicContact OE1-NH2 2.71Å; E35-R38 PolarHBondContact OE1-NH2 2.89Å; K36-R38 PolarHBondContact O-N 3.42Å; R38-Y956 WeakPolarHBondContact CD-OH 3.03Å; R38-Y956 PolarHBondContact NH1-OH 3.45Å; R38-V995 HydrophobicContact CB-CG1 4.29Å |
| 39 | W | 78 | Confident | 85.1 | Confident | 192 Ų | 192 | 70.7 Ų | 70.7 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -2.3 | 179.8 | -58 | 107.8 | 0 | 0 | 0 | 113.2 | E35 K36 V37 | E35-W39 PolarHBondContact O-NE1 2.83Å; K36-W39 PolarHBondContact O-N 3.3Å; V37-W39 PolarHBondContact O-N 3.36Å |
| 40 | M | 82.3 | Confident | 85.2 | Confident | 45 Ų | 45 | 73 Ų | 73 | 22% | 0.222 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -80.6 | 157.5 | 175.7 | -64.5 | 178.9 | 175.9 | 0 | 0 | 110.5 | V37 W42 P1039 F1041 | V37-M40 HydrophobicContact CG2-SD 4.4Å; V37-M40 WeakPolarHBondContact O-CB 3.38Å; V37-M40 PolarHBondContact O-N 2.95Å; M40-W42 VanDerWaalsContact O-CD1 3.25Å; M40-P1039 HydrophobicContact CB-CB 3.84Å; M40-P1039 HydrophobicContact CG-CB 4.46Å; M40-P1039 HydrophobicContact SD-CB 3.89Å; M40-F1041 HydrophobicContact CE-CD1 4.12Å; M40-F1041 HydrophobicContact CE-CE1 3.51Å; M40-F1041 HydrophobicContact CE-CE2 4.18Å; M40-F1041 HydrophobicContact CE-CZ 3.55Å |
| 41 | K | 81.9 | Confident | 85.1 | Confident | 156 Ų | 156 | 74.4 Ų | 74.4 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.8 | 169.5 | -174.8 | 179.5 | 178.9 | -175.9 | 0 | 108 | V1040 | K41-V1040 PolarHBondContact O-N 3.13Å |
| 42 | W | 84.4 | Confident | 85 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 21% | 0.205 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.9 | 175.8 | -69.6 | 71.8 | 0 | 0 | 0 | 109.8 | V37 M40 F996 W1017 L1025 C1037 R1038 | V37-W42 HydrophobicContact CG1-CH2 4.18Å; V37-W42 HydrophobicContact CG1-CZ2 3.74Å; M40-W42 VanDerWaalsContact O-CD1 3.25Å; W42-F996 HydrophobicContact CD2-CE2 4.42Å; W42-F996 HydrophobicContact CD2-CZ 4.47Å; W42-F996 AromaticContact CE2-CZ 3.76Å; W42-F996 HydrophobicContact CH2-CZ 4.29Å; W42-F996 HydrophobicContact CZ2-CE1 4.31Å; W42-F996 HydrophobicContact CZ2-CE2 4.39Å; W42-F996 AromaticContact CZ2-CZ 3.66Å; W42-F996 HydrophobicContact CZ2-CZ 3.66Å; W42-F996 AromaticContact NE1-CZ 3.99Å; W42-W1017 HydrophobicContact CH2-CH2 4.36Å; W42-W1017 AromaticContact CH2-CZ3 3.9Å; W42-W1017 HydrophobicContact CH2-CZ3 3.9Å; W42-L1025 HydrophobicContact CE3-CD2 4.38Å; W42-L1025 HydrophobicContact CH2-CD2 4.2Å; W42-L1025 HydrophobicContact CZ3-CD2 3.79Å; W42-L1025 HydrophobicContact CZ3-CG 3.95Å; W42-C1037 HydrophobicContact CE3-CB 4.09Å; W42-C1037 WeakPolarHBondContact CZ3-O 3.48Å; W42-R1038 WeakPolarHBondContact CA-O 3.29Å |
| 43 | Q | 85.4 | Confident | 85 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 58% | 0.575 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.7 | 174.9 | -176.4 | 175.9 | 5 | 0 | 0 | 109.4 | C1037 R1038 V1040 | Q43-C1037 WeakPolarHBondContact O-CA 3.08Å; Q43-R1038 PolarHBondContact N-O 3.11Å; Q43-R1038 PolarHBondContact O-N 2.82Å; Q43-V1040 HydrophobicContact CB-CG2 3.61Å |
| 44 | S | 88.1 | Confident | 84.8 | Confident | 50 Ų | 50 | 80.4 Ų | 80.4 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 114.2 | 174.8 | -57.4 | 0 | 0 | 0 | 0 | 109.8 | C1037 | S44-C1037 PolarHBondContact OG-SG 3.39Å |
| 45 | Q | 88.6 | Confident | 84.7 | Confident | 66 Ų | 66 | 80 Ų | 80 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.8 | 166.9 | -175.5 | -172.4 | -0.7 | 0 | 0 | 108.2 | T85 V1035 I1036 R1038 | Q45-T85 PolarHBondContact NE2-O 2.99Å; Q45-T85 VanDerWaalsContact NE2-O 3.08Å; Q45-V1035 WeakPolarHBondContact O-CA 3.35Å; Q45-I1036 PolarHBondContact N-O 3.24Å; Q45-I1036 PolarHBondContact O-N 3.41Å; Q45-R1038 VanDerWaalsContact OE1-CZ 3.28Å |
| 46 | K | 89.5 | Confident | 85 | Confident | 122 Ų | 122 | 78.3 Ų | 78.3 | 53% | 0.53 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132.9 | 164.8 | 176.1 | 169.4 | 171.8 | 167.5 | 0 | 108.5 | D1033 | K46-D1033 WeakPolarHBondContact CE-OD1 3.19Å; K46-D1033 IonicContact NZ-OD1 3.47Å; K46-D1033 PolarHBondContact NZ-OD1 2.93Å |
| 47 | V | 90.9 | Very high | 85.2 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 136.8 | 174.3 | 167.7 | 0 | 0 | 0 | 0 | 109.4 | L49 T81 G86 L1034 I1036 | V47-L49 HydrophobicContact CG1-CD2 3.77Å; V47-L49 HydrophobicContact CG1-CG 4.13Å; V47-T81 HydrophobicContact CG1-CG2 3.65Å; V47-T81 HydrophobicContact CG2-CG2 3.99Å; V47-G86 WeakPolarHBondContact CG1-O 3.41Å; V47-L1034 HydrophobicContact CB-CB 4.1Å; V47-L1034 HydrophobicContact CB-CD2 4.13Å; V47-L1034 HydrophobicContact CB-CG 3.95Å; V47-L1034 HydrophobicContact CG1-CD2 3.99Å; V47-L1034 HydrophobicContact CG1-CG 4.38Å; V47-L1034 HydrophobicContact CG2-CD2 4.26Å; V47-L1034 HydrophobicContact CG2-CG 3.95Å; V47-L1034 PolarHBondContact N-O 3.35Å; V47-I1036 HydrophobicContact CG2-CD1 3.58Å; V47-I1036 HydrophobicContact CG2-CG1 3.79Å |
| 48 | E | 87 | Confident | 85.6 | Confident | 163 Ų | 163 | 72 Ų | 72 | 76% | 0.762 | 34% | 0.344 | S | S | * | . | B | Isolated β-bridge | trans | -82.8 | 114.8 | 169.9 | -70 | 174 | -179.6 | 0 | 0 | 108.6 | ||
| 49 | L | 89.3 | Confident | 86.4 | Confident | 30 Ų | 30 | 69.9 Ų | 69.9 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | trans | -104 | 148.5 | 176.1 | -65.5 | 178.2 | 0 | 0 | 0 | 109.1 | V47 D51 P53 Y79 L1034 | V47-L49 HydrophobicContact CG1-CD2 3.77Å; V47-L49 HydrophobicContact CG1-CG 4.13Å; L49-D51 VanDerWaalsContact C-N 3.29Å; L49-D51 CarbonylContact C-O 3.53Å; L49-D51 WeakPolarHBondContact CB-O 3.44Å; L49-D51 PolarHBondContact O-N 3.16Å; L49-P53 HydrophobicContact CD1-CG 3.81Å; L49-Y79 HydrophobicContact CB-CD2 4.38Å; L49-Y79 HydrophobicContact CD1-CD2 4.16Å; L49-Y79 HydrophobicContact CD2-CD2 3.88Å; L49-Y79 HydrophobicContact CD2-CG 3.93Å; L49-Y79 HydrophobicContact CG-CD2 4.37Å; L49-L1034 HydrophobicContact CD1-CB 4.24Å; L49-L1034 HydrophobicContact CD2-CD2 4.19Å | ||
| 50 | P | 84.9 | Confident | 87.2 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 57% | 0.571 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -59.2 | -38.5 | -180 | -25.8 | 35 | 0 | 0 | 0 | 113.4 | Y79 C88 | P50-Y79 HydrophobicContact CB-CE1 4.16Å; P50-Y79 HydrophobicContact CG-CD1 4.09Å; P50-Y79 HydrophobicContact CG-CE1 3.7Å; P50-C88 HydrophobicContact CG-CB 4.3Å |
| 51 | D | 83.6 | Confident | 87.7 | Confident | 78 Ų | 78 | 60.4 Ų | 60.4 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -99.2 | 164.6 | 168.7 | -72.4 | -20.1 | 0 | 0 | 0 | 110.9 | L49 P53 N75 Y79 | L49-D51 VanDerWaalsContact C-N 3.29Å; L49-D51 CarbonylContact C-O 3.53Å; L49-D51 WeakPolarHBondContact CB-O 3.44Å; L49-D51 PolarHBondContact O-N 3.16Å; D51-P53 VanDerWaalsContact C-CD 3.46Å; D51-P53 WeakPolarHBondContact O-CD 3.49Å; D51-N75 PolarHBondContact OD2-ND2 3.46Å; D51-Y79 WeakPolarHBondContact CB-OH 3.29Å; D51-Y79 VanDerWaalsContact CG-OH 3.23Å; D51-Y79 PolarHBondContact OD2-OH 2.55Å |
| 52 | S | 84.6 | Confident | 88.1 | Confident | 117 Ų | 117 | 53 Ų | 53 | 82% | 0.818 | 27% | 0.268 | S | S | * | . | trans | -92.9 | 86.5 | 155.3 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 53 | P | 84.1 | Confident | 87.9 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 8% | 0.078 | 28% | 0.279 | C | S | . | . | trans | -63.1 | 157 | 177.4 | 28.3 | -36.1 | 0 | 0 | 0 | 110.9 | L49 D51 H73 G1032 | L49-P53 HydrophobicContact CD1-CG 3.81Å; D51-P53 VanDerWaalsContact C-CD 3.46Å; D51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-H73 HydrophobicContact CB-CB 3.92Å; P53-H73 WeakPolarHBondContact CG-ND1 3.11Å; P53-G1032 WeakPolarHBondContact O-CA 3.35Å | ||
| 54 | R | 83 | Confident | 87.2 | Confident | 148 Ų | 148 | 49.3 Ų | 49.3 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -84.3 | -23 | -179.9 | -63.7 | -168.5 | -172.9 | -166.9 | 6.8 | 114.6 | V74 E846 K1031 G1032 | R54-V74 HydrophobicContact CB-CB 4.31Å; R54-V74 HydrophobicContact CB-CG1 4.24Å; R54-V74 HydrophobicContact CB-CG2 4.43Å; R54-E846 PolarHBondContact NH1-O 3.06Å; R54-K1031 CarbonylContact O-C 3.57Å; R54-K1031 WeakPolarHBondContact O-CA 3.5Å; R54-G1032 PolarHBondContact O-N 2.94Å |
| 55 | S | 85.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -162.9 | 137.8 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 109.9 | V74 N1013 T1029 | S55-V74 PolarHBondContact O-N 2.71Å; S55-V74 VanDerWaalsContact O-N 3.11Å; S55-N1013 PolarHBondContact OG-ND2 3.38Å; S55-T1029 WeakPolarHBondContact CA-O 3.47Å | ||
| 56 | T | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 122.8 | 174.8 | -49.6 | 0 | 0 | 0 | 0 | 107.7 | L59 T72 H73 N1013 T1029 G1032 D1033 | T56-L59 HydrophobicContact CG2-CD2 3.99Å; T56-T72 CarbonylContact C-O 3.59Å; T56-T72 WeakPolarHBondContact CA-O 3.16Å; T56-H73 PolarHBondContact OG1-CE1 3.02Å; T56-H73 PolarHBondContact OG1-ND1 3.21Å; T56-N1013 VanDerWaalsContact O-CB 3.31Å; T56-N1013 WeakPolarHBondContact O-CB 3.36Å; T56-N1013 PolarHBondContact O-ND2 2.93Å; T56-T1029 PolarHBondContact N-O 2.8Å; T56-G1032 PolarHBondContact OG1-O 3.03Å; T56-D1033 PolarHBondContact OG1-O 2.57Å |
| 57 | F | 87.4 | Confident | 83.8 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -55.4 | -170.6 | -70.7 | -69.9 | 0 | 0 | 0 | 114.2 | T72 V74 T98 W100 V851 S1014 | F57-T72 PolarHBondContact N-O 3.02Å; F57-V74 HydrophobicContact CD2-CG2 4.49Å; F57-V74 HydrophobicContact CE2-CB 4.33Å; F57-V74 HydrophobicContact CE2-CG2 3.38Å; F57-V74 HydrophobicContact CZ-CG2 3.6Å; F57-T98 HydrophobicContact CD2-CG2 3.57Å; F57-T98 HydrophobicContact CE2-CG2 3.4Å; F57-T98 VanDerWaalsContact CE2-CG2 3.4Å; F57-T98 HydrophobicContact CZ-CG2 4.37Å; F57-W100 HydrophobicContact CD1-CE3 4.44Å; F57-W100 AromaticContact CD1-CZ3 3.81Å; F57-W100 HydrophobicContact CD1-CZ3 3.81Å; F57-W100 AromaticContact CE1-CZ3 4Å; F57-W100 HydrophobicContact CE1-CZ3 4Å; F57-W100 HydrophobicContact CG-CZ3 4.33Å; F57-V851 HydrophobicContact CD1-CG2 3.78Å; F57-V851 HydrophobicContact CE1-CG2 4.25Å; F57-S1014 VanDerWaalsContact O-CB 3.24Å; F57-S1014 WeakPolarHBondContact O-CB 3.15Å |
| 58 | L | 91.2 | Very high | 83.9 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148.3 | -175 | -167.4 | 68.8 | 0 | 0 | 0 | 111.3 | S71 T72 C101 V102 D892 A893 | L58-S71 WeakPolarHBondContact O-CA 3.4Å; L58-T72 PolarHBondContact N-OG1 3.31Å; L58-T72 VanDerWaalsContact N-OG1 3.1Å; L58-T72 PolarHBondContact O-N 3.48Å; L58-C101 HydrophobicContact CD2-CB 4.41Å; L58-V102 HydrophobicContact CD2-CG1 4.33Å; L58-D892 HydrophobicContact CD1-CB 3.86Å; L58-D892 HydrophobicContact CD2-CB 3.81Å; L58-A893 HydrophobicContact CD1-CB 4.02Å |
| 59 | L | 94.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.2 | 174.6 | -53.2 | -177.9 | 0 | 0 | 0 | 111.1 | T56 M69 A70 S1014 R1016 A1026 L1034 | T56-L59 HydrophobicContact CG2-CD2 3.99Å; L59-M69 HydrophobicContact CD1-SD 4.17Å; L59-M69 HydrophobicContact CD2-SD 4.32Å; L59-A70 WeakPolarHBondContact CA-O 3.46Å; L59-S1014 PolarHBondContact N-OG 3.13Å; L59-R1016 PolarHBondContact O-NH1 3.13Å; L59-A1026 HydrophobicContact CD1-CB 4.22Å; L59-L1034 HydrophobicContact CD1-CD1 4.06Å; L59-L1034 HydrophobicContact CD2-CD1 3.52Å; L59-L1034 HydrophobicContact CG-CD1 4.47Å |
| 60 | A | 94.4 | Very high | 84.5 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 157.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | M69 A70 V102 F104 | A60-M69 CarbonylContact O-C 3.54Å; A60-M69 VanDerWaalsContact O-CA 3.29Å; A60-M69 WeakPolarHBondContact O-CA 3.5Å; A60-A70 PolarHBondContact N-O 2.89Å; A60-A70 PolarHBondContact O-N 3.43Å; A60-V102 HydrophobicContact CB-CG1 4.05Å; A60-F104 HydrophobicContact CB-CD2 4.13Å; A60-F104 HydrophobicContact CB-CE2 4.48Å |
| 61 | F | 92.4 | Very high | 85 | Confident | 34 Ų | 34 | 37.6 Ų | 37.6 | 15% | 0.149 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149 | 178.7 | -57.8 | -68.9 | 0 | 0 | 0 | 111.1 | L68 M69 V83 F104 R1016 W1017 L1018 P1019 A1026 | F61-L68 WeakPolarHBondContact CA-O 3.46Å; F61-M69 HydrophobicContact CD1-CB 3.73Å; F61-M69 HydrophobicContact CD1-CG 3.91Å; F61-M69 HydrophobicContact CD1-SD 4.47Å; F61-M69 HydrophobicContact CE1-CB 3.77Å; F61-M69 HydrophobicContact CE1-CG 3.59Å; F61-M69 HydrophobicContact CE1-SD 3.57Å; F61-M69 VanDerWaalsContact CE1-SD 3.57Å; F61-M69 HydrophobicContact CZ-CG 4.49Å; F61-M69 HydrophobicContact CZ-SD 4.18Å; F61-V83 HydrophobicContact CD1-CG2 4.28Å; F61-V83 HydrophobicContact CE1-CG2 4.27Å; F61-F104 WeakPolarHBondContact O-CD2 3.44Å; F61-R1016 HydrophobicContact CE2-CB 3.74Å; F61-R1016 HydrophobicContact CZ-CB 4.42Å; F61-W1017 WeakPolarHBondContact CE2-O 3.36Å; F61-L1018 HydrophobicContact CD1-CD2 4.18Å; F61-L1018 HydrophobicContact CE1-CD2 3.34Å; F61-L1018 HydrophobicContact CE2-CD2 4.39Å; F61-L1018 HydrophobicContact CZ-CD2 3.49Å; F61-L1018 VanDerWaalsContact CZ-CD2 3.49Å; F61-P1019 HydrophobicContact CB-CG 4.23Å; F61-P1019 HydrophobicContact CG-CG 4.5Å; F61-A1026 HydrophobicContact CZ-CB 4.28Å |
| 62 | S | 90.4 | Very high | 85.4 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | trans | -68 | 145.8 | 167.5 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | D64 L68 | S62-D64 WeakPolarHBondContact CB-OD2 3.26Å; S62-D64 PolarHBondContact O-N 2.89Å; S62-D64 PolarHBondContact OG-N 2.78Å; S62-D64 PolarHBondContact OG-OD2 3.39Å; S62-L68 PolarHBondContact N-O 3.39Å | ||
| 63 | P | 80.4 | Confident | 85.6 | Confident | 65 Ų | 65 | 28.3 Ų | 28.3 | 42% | 0.422 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -66.8 | -20.1 | 167.8 | 32.6 | -42.5 | 0 | 0 | 0 | 113.4 | H105 P106 | P63-H105 WeakPolarHBondContact CD-O 3.22Å; P63-H105 VanDerWaalsContact CG-O 3.25Å; P63-H105 WeakPolarHBondContact CG-O 3.29Å; P63-P106 WeakPolarHBondContact CB-O 3.42Å; P63-P106 VanDerWaalsContact CG-C 3.5Å; P63-P106 WeakPolarHBondContact CG-O 3.48Å |
| 64 | D | 70.7 | Confident | 85.8 | Confident | 34 Ų | 34 | 29.6 Ų | 29.6 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -72.8 | 147.8 | -177.1 | 68.3 | 57.4 | 0 | 0 | 0 | 112.5 | S62 S66 S67 | S62-D64 WeakPolarHBondContact CB-OD2 3.26Å; S62-D64 PolarHBondContact O-N 2.89Å; S62-D64 PolarHBondContact OG-N 2.78Å; S62-D64 PolarHBondContact OG-OD2 3.39Å; D64-S66 PolarHBondContact O-N 3.11Å; D64-S66 VanDerWaalsContact O-N 3.13Å; D64-S66 WeakPolarHBondContact OD1-CA 3.43Å; D64-S66 WeakPolarHBondContact OD1-CB 3.2Å; D64-S66 PolarHBondContact OD1-N 3.5Å; D64-S66 VanDerWaalsContact OD1-N 3.13Å; D64-S66 PolarHBondContact OD1-OG 3.01Å; D64-S67 PolarHBondContact O-N 3.02Å; D64-S67 PolarHBondContact OD1-N 3.37Å |
| 65 | R | 56.4 | Low | 86 | Confident | 190 Ų | 190 | 24.7 Ų | 24.7 | 72% | 0.717 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 3.7 | -180 | -60.1 | -176.2 | -171 | 152.3 | 7.2 | 113.3 | K84 | R65-K84 PolarHBondContact O-NZ 2.89Š|
| 66 | S | 60.7 | Low | 86.2 | Confident | 63 Ų | 63 | 26.8 Ų | 26.8 | 44% | 0.441 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26.3 | 162.8 | -6.4 | 0 | 0 | 0 | 0 | 110.4 | D64 K84 | D64-S66 PolarHBondContact O-N 3.11Å; D64-S66 VanDerWaalsContact O-N 3.13Å; D64-S66 WeakPolarHBondContact OD1-CA 3.43Å; D64-S66 WeakPolarHBondContact OD1-CB 3.2Å; D64-S66 PolarHBondContact OD1-N 3.5Å; D64-S66 VanDerWaalsContact OD1-N 3.13Å; D64-S66 PolarHBondContact OD1-OG 3.01Å; S66-K84 PolarHBondContact O-NZ 2.98Å |
| 67 | S | 78.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | trans | 60.5 | 64 | 173.5 | -158.5 | 0 | 0 | 0 | 0 | 112.4 | D64 V83 M1023 | D64-S67 PolarHBondContact O-N 3.02Å; D64-S67 PolarHBondContact OD1-N 3.37Å; S67-V83 VanDerWaalsContact O-CB 3.26Å; S67-V83 WeakPolarHBondContact O-CB 3.25Å; S67-V83 WeakPolarHBondContact O-CG2 3.38Å; S67-V83 PolarHBondContact O-N 3.15Å; S67-M1023 WeakPolarHBondContact OG-CE 3.41Å | ||
| 68 | L | 91.9 | Very high | 86.8 | Confident | 22 Ų | 22 | 27 Ų | 27 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 147.2 | 166.1 | -56.5 | -178.6 | 0 | 0 | 0 | 110.5 | F61 S62 I80 L89 F104 L126 | F61-L68 WeakPolarHBondContact CA-O 3.46Å; S62-L68 PolarHBondContact N-O 3.39Å; L68-I80 HydrophobicContact CB-CG2 4.17Å; L68-I80 HydrophobicContact CD1-CG2 4.28Å; L68-I80 HydrophobicContact CD2-CG2 4.48Å; L68-L89 HydrophobicContact CD2-CD1 3.65Å; L68-F104 HydrophobicContact CB-CE1 4.3Å; L68-F104 HydrophobicContact CB-CZ 4.09Å; L68-L126 HydrophobicContact CD1-CD1 3.83Å |
| 69 | M | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.8 | 174 | 174.4 | 177.6 | 51.1 | 0 | 0 | 109.9 | L59 A60 F61 I80 T81 V83 A1026 L1034 I1036 | L59-M69 HydrophobicContact CD1-SD 4.17Å; L59-M69 HydrophobicContact CD2-SD 4.32Å; A60-M69 CarbonylContact O-C 3.54Å; A60-M69 VanDerWaalsContact O-CA 3.29Å; A60-M69 WeakPolarHBondContact O-CA 3.5Å; F61-M69 HydrophobicContact CD1-CB 3.73Å; F61-M69 HydrophobicContact CD1-CG 3.91Å; F61-M69 HydrophobicContact CD1-SD 4.47Å; F61-M69 HydrophobicContact CE1-CB 3.77Å; F61-M69 HydrophobicContact CE1-CG 3.59Å; F61-M69 HydrophobicContact CE1-SD 3.57Å; F61-M69 VanDerWaalsContact CE1-SD 3.57Å; F61-M69 HydrophobicContact CZ-CG 4.49Å; F61-M69 HydrophobicContact CZ-SD 4.18Å; M69-I80 CarbonylContact O-C 3.55Å; M69-I80 WeakPolarHBondContact O-CA 3.32Å; M69-T81 HydrophobicContact CE-CG2 4.19Å; M69-T81 PolarHBondContact N-O 3.44Å; M69-T81 PolarHBondContact O-N 2.94Å; M69-V83 HydrophobicContact CB-CG2 3.6Å; M69-A1026 HydrophobicContact SD-CB 3.87Å; M69-L1034 HydrophobicContact CE-CD1 3.92Å; M69-L1034 HydrophobicContact CE-CD2 3.87Å; M69-L1034 HydrophobicContact CE-CG 4.06Å; M69-L1034 HydrophobicContact SD-CD1 4.09Å; M69-I1036 HydrophobicContact CE-CD1 3.88Å; M69-I1036 HydrophobicContact CE-CG1 4.01Å |
| 70 | A | 95.2 | Very high | 87 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L59 A60 I78 I80 V102 F104 | L59-A70 WeakPolarHBondContact CA-O 3.46Å; A60-A70 PolarHBondContact N-O 2.89Å; A60-A70 PolarHBondContact O-N 3.43Å; A70-I78 HydrophobicContact CB-CG2 4.21Å; A70-I80 HydrophobicContact CB-CD1 3.61Å; A70-V102 HydrophobicContact CB-CG1 4.48Å; A70-V102 HydrophobicContact CB-CG2 3.92Å; A70-F104 HydrophobicContact CB-CD2 4.36Å; A70-F104 HydrophobicContact CB-CE2 3.46Å; A70-F104 VanDerWaalsContact CB-CE2 3.46Å; A70-F104 HydrophobicContact CB-CZ 3.9Å |
| 71 | S | 95.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 131.6 | -179.6 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | L58 H73 I78 Y79 | L58-S71 WeakPolarHBondContact O-CA 3.4Å; S71-H73 WeakPolarHBondContact CB-NE2 3.23Å; S71-H73 PolarHBondContact O-CD2 3.05Å; S71-H73 PolarHBondContact O-NE2 3.42Å; S71-H73 PolarHBondContact OG-NE2 3.48Å; S71-I78 WeakPolarHBondContact O-CA 3.28Å; S71-I78 WeakPolarHBondContact O-CG2 3.46Å; S71-Y79 PolarHBondContact N-O 3.35Å; S71-Y79 PolarHBondContact O-N 2.9Å; S71-Y79 PolarHBondContact OG-O 3.06Å |
| 72 | T | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 144 | -179 | 60 | 0 | 0 | 0 | 0 | 112.8 | T56 F57 L58 I78 P99 V102 | T56-T72 CarbonylContact C-O 3.59Å; T56-T72 WeakPolarHBondContact CA-O 3.16Å; F57-T72 PolarHBondContact N-O 3.02Å; L58-T72 PolarHBondContact N-OG1 3.31Å; L58-T72 VanDerWaalsContact N-OG1 3.1Å; L58-T72 PolarHBondContact O-N 3.48Å; T72-I78 HydrophobicContact CG2-CD1 4.42Å; T72-I78 HydrophobicContact CG2-CG1 4.25Å; T72-I78 HydrophobicContact CG2-CG2 4.4Å; T72-P99 WeakPolarHBondContact CB-O 3.49Å; T72-P99 HydrophobicContact CG2-CB 3.9Å; T72-P99 HydrophobicContact CG2-CG 4.03Å; T72-P99 PolarHBondContact OG1-O 2.85Å; T72-V102 HydrophobicContact CG2-CB 3.71Å; T72-V102 HydrophobicContact CG2-CG1 3.63Å |
| 73 | H | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 157.2 | -164.3 | -66.4 | -78.7 | 0 | 0 | 0 | 114.6 | P53 T56 S71 N75 H76 N77 Y79 | P53-H73 HydrophobicContact CB-CB 3.92Å; P53-H73 WeakPolarHBondContact CG-ND1 3.11Å; T56-H73 PolarHBondContact OG1-CE1 3.02Å; T56-H73 PolarHBondContact OG1-ND1 3.21Å; S71-H73 WeakPolarHBondContact CB-NE2 3.23Å; S71-H73 PolarHBondContact O-CD2 3.05Å; S71-H73 PolarHBondContact O-NE2 3.42Å; S71-H73 PolarHBondContact OG-NE2 3.48Å; H73-N75 WeakPolarHBondContact CB-OD1 3.32Å; H73-N75 PolarHBondContact O-N 2.72Å; H73-H76 PolarHBondContact O-N 2.75Å; H73-H76 VanDerWaalsContact O-N 3.16Å; H73-N77 PolarHBondContact N-O 3.09Å; H73-Y79 AromaticContact CD2-CD2 3.46Å; H73-Y79 VanDerWaalsContact CD2-CD2 3.46Å; H73-Y79 WeakPolarHBondContact CD2-CD2 3.48Å; H73-Y79 AromaticContact NE2-CD2 3.63Å |
| 74 | V | 87.4 | Confident | 87.2 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 24% | 0.236 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.4 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 113.6 | R54 S55 F57 H76 | R54-V74 HydrophobicContact CB-CB 4.31Å; R54-V74 HydrophobicContact CB-CG1 4.24Å; R54-V74 HydrophobicContact CB-CG2 4.43Å; S55-V74 PolarHBondContact O-N 2.71Å; S55-V74 VanDerWaalsContact O-N 3.11Å; F57-V74 HydrophobicContact CD2-CG2 4.49Å; F57-V74 HydrophobicContact CE2-CB 4.33Å; F57-V74 HydrophobicContact CE2-CG2 3.38Å; F57-V74 HydrophobicContact CZ-CG2 3.6Å; V74-H76 PolarHBondContact O-CE1 3.32Å; V74-H76 VanDerWaalsContact O-CE1 3.27Å; V74-H76 PolarHBondContact O-N 3.08Å; V74-H76 VanDerWaalsContact O-N 3.12Å; V74-H76 PolarHBondContact O-ND1 2.92Å |
| 75 | N | 87.2 | Confident | 88 | Confident | 44 Ų | 44 | 30.3 Ų | 30.3 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 8.6 | 178.3 | 67.5 | -16.5 | 0 | 0 | 0 | 114 | D51 H73 N77 Y79 | D51-N75 PolarHBondContact OD2-ND2 3.46Å; H73-N75 WeakPolarHBondContact CB-OD1 3.32Å; H73-N75 PolarHBondContact O-N 2.72Å; N75-N77 PolarHBondContact ND2-ND2 3.27Å; N75-N77 PolarHBondContact O-N 2.78Å; N75-N77 PolarHBondContact OD1-N 3.08Å; N75-Y79 PolarHBondContact ND2-OH 3.28Å |
| 76 | H | 90.7 | Very high | 89.5 | Confident | 44 Ų | 44 | 21.4 Ų | 21.4 | 20% | 0.204 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 72 | -0.2 | 178.3 | -48.7 | -7 | 0 | 0 | 0 | 114.4 | H73 V74 R96 R97 T98 P99 | H73-H76 PolarHBondContact O-N 2.75Å; H73-H76 VanDerWaalsContact O-N 3.16Å; V74-H76 PolarHBondContact O-CE1 3.32Å; V74-H76 VanDerWaalsContact O-CE1 3.27Å; V74-H76 PolarHBondContact O-N 3.08Å; V74-H76 VanDerWaalsContact O-N 3.12Å; V74-H76 PolarHBondContact O-ND1 2.92Å; H76-R96 PolarHBondContact CD2-O 2.6Å; H76-R97 PolarHBondContact CE1-NH1 2.59Å; H76-R97 VanDerWaalsContact CE1-NH1 3.32Å; H76-R97 VanDerWaalsContact CG-C 3.47Å; H76-R97 PolarHBondContact NE2-NH1 3.23Å; H76-T98 PolarHBondContact CE1-OG1 2.84Å; H76-T98 PolarHBondContact ND1-N 2.82Å; H76-T98 VanDerWaalsContact ND1-N 3.13Å; H76-T98 PolarHBondContact ND1-OG1 3.04Å; H76-P99 WeakPolarHBondContact O-CD 3.27Å |
| 77 | N | 93.3 | Very high | 90.9 | Very high | 23 Ų | 23 | 25 Ų | 25 | 12% | 0.123 | 12% | 0.123 | C | C | . | . | trans | -90.3 | 160.8 | 175.8 | -62.5 | -25.5 | 0 | 0 | 0 | 112.1 | H73 N75 Y79 L92 | H73-N77 PolarHBondContact N-O 3.09Å; N75-N77 PolarHBondContact ND2-ND2 3.27Å; N75-N77 PolarHBondContact O-N 2.78Å; N75-N77 PolarHBondContact OD1-N 3.08Å; N77-Y79 HydrophobicContact CB-CE2 4.49Å; N77-L92 WeakPolarHBondContact CA-O 3.45Å | ||
| 78 | I | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.6 | 167.4 | -47 | 179.4 | 0 | 0 | 0 | 107.9 | A70 S71 T72 L92 P99 V102 | A70-I78 HydrophobicContact CB-CG2 4.21Å; S71-I78 WeakPolarHBondContact O-CA 3.28Å; S71-I78 WeakPolarHBondContact O-CG2 3.46Å; T72-I78 HydrophobicContact CG2-CD1 4.42Å; T72-I78 HydrophobicContact CG2-CG1 4.25Å; T72-I78 HydrophobicContact CG2-CG2 4.4Å; I78-L92 HydrophobicContact CB-CB 4.15Å; I78-L92 HydrophobicContact CB-CD1 4.36Å; I78-L92 PolarHBondContact N-O 3.14Å; I78-L92 PolarHBondContact O-N 3.08Å; I78-P99 HydrophobicContact CD1-CB 3.98Å; I78-P99 HydrophobicContact CD1-CG 4.15Å; I78-P99 HydrophobicContact CG1-CB 4Å; I78-P99 HydrophobicContact CG1-CG 3.6Å; I78-V102 HydrophobicContact CD1-CG2 4.37Å; I78-V102 HydrophobicContact CG2-CG2 4.3Å |
| 79 | Y | 95.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.3 | 177.4 | -68.2 | -59 | 0 | 0 | 0 | 110.9 | L49 P50 D51 S71 H73 N75 N77 S91 | L49-Y79 HydrophobicContact CB-CD2 4.38Å; L49-Y79 HydrophobicContact CD1-CD2 4.16Å; L49-Y79 HydrophobicContact CD2-CD2 3.88Å; L49-Y79 HydrophobicContact CD2-CG 3.93Å; L49-Y79 HydrophobicContact CG-CD2 4.37Å; P50-Y79 HydrophobicContact CB-CE1 4.16Å; P50-Y79 HydrophobicContact CG-CD1 4.09Å; P50-Y79 HydrophobicContact CG-CE1 3.7Å; D51-Y79 WeakPolarHBondContact CB-OH 3.29Å; D51-Y79 VanDerWaalsContact CG-OH 3.23Å; D51-Y79 PolarHBondContact OD2-OH 2.55Å; S71-Y79 PolarHBondContact N-O 3.35Å; S71-Y79 PolarHBondContact O-N 2.9Å; S71-Y79 PolarHBondContact OG-O 3.06Å; H73-Y79 AromaticContact CD2-CD2 3.46Å; H73-Y79 VanDerWaalsContact CD2-CD2 3.46Å; H73-Y79 WeakPolarHBondContact CD2-CD2 3.48Å; H73-Y79 AromaticContact NE2-CD2 3.63Å; N75-Y79 PolarHBondContact ND2-OH 3.28Å; N77-Y79 HydrophobicContact CB-CE2 4.49Å; Y79-S91 WeakPolarHBondContact CE1-OG 3.34Å |
| 80 | I | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125 | 169.3 | -51.4 | -56.7 | 0 | 0 | 0 | 108.2 | L68 M69 A70 C88 L89 H90 L92 F104 L126 | L68-I80 HydrophobicContact CB-CG2 4.17Å; L68-I80 HydrophobicContact CD1-CG2 4.28Å; L68-I80 HydrophobicContact CD2-CG2 4.48Å; M69-I80 CarbonylContact O-C 3.55Å; M69-I80 WeakPolarHBondContact O-CA 3.32Å; A70-I80 HydrophobicContact CB-CD1 3.61Å; I80-C88 CarbonylContact O-C 3.53Å; I80-C88 WeakPolarHBondContact O-CA 3.3Å; I80-C88 PolarHBondContact O-SG 3.3Å; I80-L89 PolarHBondContact O-N 3.35Å; I80-H90 HydrophobicContact CB-CB 4.08Å; I80-H90 HydrophobicContact CG1-CB 4.1Å; I80-H90 PolarHBondContact N-O 3.11Å; I80-H90 PolarHBondContact O-N 3.06Å; I80-L92 HydrophobicContact CD1-CD1 3.95Å; I80-L92 HydrophobicContact CG1-CD1 4.1Å; I80-L92 HydrophobicContact CG1-CG 4.25Å; I80-F104 HydrophobicContact CD1-CZ 4.32Å; I80-L126 HydrophobicContact CD1-CD2 4.33Å; I80-L126 HydrophobicContact CG1-CD1 4.19Å; I80-L126 HydrophobicContact CG1-CD2 3.81Å; I80-L126 HydrophobicContact CG2-CD1 3.97Å |
| 81 | T | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.9 | -176.3 | -54 | 0 | 0 | 0 | 0 | 109.6 | V47 M69 V83 K87 | V47-T81 HydrophobicContact CG1-CG2 3.65Å; V47-T81 HydrophobicContact CG2-CG2 3.99Å; M69-T81 HydrophobicContact CE-CG2 4.19Å; M69-T81 PolarHBondContact N-O 3.44Å; M69-T81 PolarHBondContact O-N 2.94Å; T81-V83 PolarHBondContact O-N 3.11Å; T81-K87 CarbonylContact C-O 3.56Å; T81-K87 WeakPolarHBondContact CA-O 3.48Å; T81-K87 WeakPolarHBondContact CG2-O 3.38Å |
| 82 | E | 91.6 | Very high | 91.4 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.6 | 168 | -168.6 | -156.5 | 171.1 | 0 | 0 | 109.4 | K84 T85 G86 K87 L89 | E82-K84 VanDerWaalsContact C-N 3.25Å; E82-K84 HydrophobicContact CG-CB 4.47Å; E82-K84 PolarHBondContact O-N 2.98Å; E82-K84 WeakPolarHBondContact OE1-CB 3.47Å; E82-T85 WeakPolarHBondContact OE2-CB 3.47Å; E82-T85 WeakPolarHBondContact OE2-CG2 3.35Å; E82-T85 PolarHBondContact OE2-OG1 2.82Å; E82-G86 VanDerWaalsContact O-CA 3.29Å; E82-G86 WeakPolarHBondContact O-CA 3.33Å; E82-G86 PolarHBondContact O-N 3.06Å; E82-K87 PolarHBondContact N-O 2.74Å; E82-L89 HydrophobicContact CB-CD1 4.11Å; E82-L89 HydrophobicContact CB-CD2 4.32Å; E82-L89 HydrophobicContact CB-CG 4.16Å |
| 83 | V | 89.3 | Confident | 91.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26 | -173.9 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | F61 S67 M69 T81 L1018 M1023 I1036 R1038 | F61-V83 HydrophobicContact CD1-CG2 4.28Å; F61-V83 HydrophobicContact CE1-CG2 4.27Å; S67-V83 VanDerWaalsContact O-CB 3.26Å; S67-V83 WeakPolarHBondContact O-CB 3.25Å; S67-V83 WeakPolarHBondContact O-CG2 3.38Å; S67-V83 PolarHBondContact O-N 3.15Å; M69-V83 HydrophobicContact CB-CG2 3.6Å; T81-V83 PolarHBondContact O-N 3.11Å; V83-L1018 HydrophobicContact CG1-CD1 3.44Å; V83-L1018 VanDerWaalsContact CG1-CD1 3.44Å; V83-L1018 HydrophobicContact CG1-CD2 3.61Å; V83-L1018 HydrophobicContact CG1-CG 4.1Å; V83-L1018 HydrophobicContact CG2-CD2 4.29Å; V83-M1023 HydrophobicContact CB-CE 4.11Å; V83-M1023 HydrophobicContact CG1-CE 3.6Å; V83-I1036 HydrophobicContact CG1-CD1 4.45Å; V83-I1036 HydrophobicContact CG1-CG2 4.43Å; V83-R1038 PolarHBondContact O-NE 3.26Å; V83-R1038 VanDerWaalsContact O-NE 3.15Å; V83-R1038 PolarHBondContact O-NH2 3.32Å |
| 84 | K | 86.1 | Confident | 91.3 | Very high | 103 Ų | 103 | 42.1 Ų | 42.1 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -55.3 | -178.9 | -65.9 | 167.6 | -174.7 | 152.9 | 0 | 111.9 | R65 S66 E82 M1023 R1038 | R65-K84 PolarHBondContact O-NZ 2.89Å; S66-K84 PolarHBondContact O-NZ 2.98Å; E82-K84 VanDerWaalsContact C-N 3.25Å; E82-K84 HydrophobicContact CG-CB 4.47Å; E82-K84 PolarHBondContact O-N 2.98Å; E82-K84 WeakPolarHBondContact OE1-CB 3.47Å; K84-M1023 HydrophobicContact CG-CE 4.17Å; K84-R1038 PolarHBondContact O-NH2 3.43Å; K84-R1038 VanDerWaalsContact O-NH2 3.09Å |
| 85 | T | 86.8 | Confident | 91.4 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 36% | 0.356 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -29.6 | 178.3 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | Q45 E82 K87 | Q45-T85 PolarHBondContact NE2-O 2.99Å; Q45-T85 VanDerWaalsContact NE2-O 3.08Å; E82-T85 WeakPolarHBondContact OE2-CB 3.47Å; E82-T85 WeakPolarHBondContact OE2-CG2 3.35Å; E82-T85 PolarHBondContact OE2-OG1 2.82Å; T85-K87 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact OG1-N 3.14Å |
| 86 | G | 87.9 | Confident | 91.6 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | 78.1 | 16.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | V47 E82 | V47-G86 WeakPolarHBondContact CG1-O 3.41Å; E82-G86 VanDerWaalsContact O-CA 3.29Å; E82-G86 WeakPolarHBondContact O-CA 3.33Å; E82-G86 PolarHBondContact O-N 3.06Å | ||
| 87 | K | 90.3 | Very high | 91.5 | Very high | 137 Ų | 137 | 48.1 Ų | 48.1 | 60% | 0.596 | 24% | 0.243 | S | C | * | . | B | Isolated β-bridge | trans | -88 | 140.2 | 176.4 | -66.7 | -178.5 | 176.8 | -175 | 0 | 111.4 | T81 E82 T85 | T81-K87 CarbonylContact C-O 3.56Å; T81-K87 WeakPolarHBondContact CA-O 3.48Å; T81-K87 WeakPolarHBondContact CG2-O 3.38Å; E82-K87 PolarHBondContact N-O 2.74Å; T85-K87 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact OG1-N 3.14Å |
| 88 | C | 92.9 | Very high | 91.2 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 22% | 0.216 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.3 | 165.7 | -172.8 | 0 | 0 | 0 | 0 | 110 | P50 I80 H90 | P50-C88 HydrophobicContact CG-CB 4.3Å; I80-C88 CarbonylContact O-C 3.53Å; I80-C88 WeakPolarHBondContact O-CA 3.3Å; I80-C88 PolarHBondContact O-SG 3.3Å; C88-H90 PolarHBondContact SG-O 2.96Å |
| 89 | L | 92.1 | Very high | 91 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 44% | 0.44 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -40.8 | 177.8 | -58.6 | -172.4 | 0 | 0 | 0 | 112.2 | L68 I80 E82 | L68-L89 HydrophobicContact CD2-CD1 3.65Å; I80-L89 PolarHBondContact O-N 3.35Å; E82-L89 HydrophobicContact CB-CD1 4.11Å; E82-L89 HydrophobicContact CB-CD2 4.32Å; E82-L89 HydrophobicContact CB-CG 4.16Å |
| 90 | H | 91.6 | Very high | 90.6 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.5 | -177.3 | -52 | -84.2 | 0 | 0 | 0 | 111.2 | I80 C88 | I80-H90 HydrophobicContact CB-CB 4.08Å; I80-H90 HydrophobicContact CG1-CB 4.1Å; I80-H90 PolarHBondContact N-O 3.11Å; I80-H90 PolarHBondContact O-N 3.06Å; C88-H90 PolarHBondContact SG-O 2.96Å |
| 91 | S | 94 | Very high | 90.4 | Very high | 52 Ų | 52 | 50.3 Ų | 50.3 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.8 | 163.7 | -175 | 0 | 0 | 0 | 0 | 108.5 | Y79 V93 | Y79-S91 WeakPolarHBondContact CE1-OG 3.34Å; S91-V93 VanDerWaalsContact OG-CG2 3.27Å; S91-V93 WeakPolarHBondContact OG-CG2 3.29Å |
| 92 | L | 94.8 | Very high | 90.4 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 111.6 | 173.4 | -49.1 | 175.9 | 0 | 0 | 0 | 107.5 | N77 I78 I80 W124 L126 | N77-L92 WeakPolarHBondContact CA-O 3.45Å; I78-L92 HydrophobicContact CB-CB 4.15Å; I78-L92 HydrophobicContact CB-CD1 4.36Å; I78-L92 PolarHBondContact N-O 3.14Å; I78-L92 PolarHBondContact O-N 3.08Å; I80-L92 HydrophobicContact CD1-CD1 3.95Å; I80-L92 HydrophobicContact CG1-CD1 4.1Å; I80-L92 HydrophobicContact CG1-CG 4.25Å; L92-W124 HydrophobicContact CB-CD2 3.91Å; L92-W124 HydrophobicContact CB-CE3 3.95Å; L92-W124 HydrophobicContact CB-CH2 4.05Å; L92-W124 HydrophobicContact CB-CZ2 4Å; L92-W124 HydrophobicContact CB-CZ3 4.02Å; L92-W124 HydrophobicContact CD1-CB 4.07Å; L92-W124 HydrophobicContact CD1-CD2 4Å; L92-W124 HydrophobicContact CD1-CG 3.75Å; L92-W124 HydrophobicContact CD2-CB 4.48Å; L92-W124 HydrophobicContact CD2-CD2 4.29Å; L92-W124 HydrophobicContact CD2-CE3 4.08Å; L92-W124 HydrophobicContact CD2-CG 4.49Å; L92-W124 HydrophobicContact CG-CD2 4.28Å; L92-W124 HydrophobicContact CG-CE3 4.42Å; L92-W124 HydrophobicContact CG-CG 4.49Å; L92-L126 HydrophobicContact CD1-CD2 4.16Å; L92-L126 HydrophobicContact CD2-CD2 3.81Å; L92-L126 HydrophobicContact CG-CD2 4.47Å |
| 93 | V | 92.9 | Very high | 90.6 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 53% | 0.527 | 25% | 0.246 | S | C | . | . | trans | -120 | 138.2 | -169.4 | -177.3 | 0 | 0 | 0 | 0 | 109 | S91 W124 | S91-V93 VanDerWaalsContact OG-CG2 3.27Å; S91-V93 WeakPolarHBondContact OG-CG2 3.29Å; V93-W124 WeakPolarHBondContact O-CH2 3.48Å | ||
| 94 | G | 86.7 | Confident | 90.9 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | trans | 138 | -12.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116 | R96 R122 | G94-R96 PolarHBondContact O-N 3.44Å; G94-R122 PolarHBondContact O-NH2 2.9Å | ||
| 95 | H | 90.5 | Very high | 91.3 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | trans | -56.9 | 132.3 | 169.7 | -88.7 | -68.3 | 0 | 0 | 0 | 110.3 | R97 S114 C116 E120 W124 | H95-R97 WeakPolarHBondContact CB-O 3.44Å; H95-R97 PolarHBondContact O-N 3Å; H95-S114 PolarHBondContact NE2-OG 2.93Å; H95-C116 HydrophobicContact CB-CB 4.45Å; H95-E120 WeakPolarHBondContact CA-OE2 3.19Å; H95-E120 IonicContact ND1-OE2 3.74Å; H95-W124 AromaticContact CD2-CZ2 3.86Å | ||
| 96 | R | 89.8 | Confident | 91.4 | Very high | 126 Ų | 126 | 44.5 Ų | 44.5 | 48% | 0.475 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -63.1 | -23.4 | 178.4 | -73.7 | 174.9 | 47.2 | -143.1 | -18.8 | 113.6 | H76 G94 D118 E120 N138 | H76-R96 PolarHBondContact CD2-O 2.6Å; G94-R96 PolarHBondContact O-N 3.44Å; R96-D118 IonicContact CZ-OD2 2.85Å; R96-D118 IonicContact NE-OD2 2.82Å; R96-D118 IonicContact NH2-OD2 3.17Å; R96-D118 PolarHBondContact NH2-OD2 3.01Å; R96-E120 PolarHBondContact N-OE2 2.86Å; R96-N138 PolarHBondContact NH1-OD1 2.82Å |
| 97 | R | 88.7 | Confident | 91.4 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 44% | 0.438 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -144.2 | 169.5 | -175.6 | -148.4 | 70.1 | -177.3 | 124.5 | -4.7 | 111.5 | H76 H95 P99 C116 L117 D118 | H76-R97 PolarHBondContact CE1-NH1 2.59Å; H76-R97 VanDerWaalsContact CE1-NH1 3.32Å; H76-R97 VanDerWaalsContact CG-C 3.47Å; H76-R97 PolarHBondContact NE2-NH1 3.23Å; H95-R97 WeakPolarHBondContact CB-O 3.44Å; H95-R97 PolarHBondContact O-N 3Å; R97-P99 WeakPolarHBondContact O-CD 3.42Å; R97-P99 VanDerWaalsContact O-N 3.12Å; R97-C116 HydrophobicContact CB-CB 4.45Å; R97-C116 WeakPolarHBondContact O-CB 3.19Å; R97-L117 HydrophobicContact CB-CB 4.46Å; R97-L117 HydrophobicContact CG-CB 3.99Å; R97-D118 HydrophobicContact CB-CB 3.94Å; R97-D118 VanDerWaalsContact CB-OD1 3.28Å; R97-D118 WeakPolarHBondContact CB-OD1 3.35Å; R97-D118 VanDerWaalsContact CD-OD1 3.3Å; R97-D118 WeakPolarHBondContact CD-OD1 3.11Å; R97-D118 WeakPolarHBondContact CG-OD1 3.37Å |
| 98 | T | 87.5 | Confident | 91.3 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | trans | -45.2 | 117 | 174.4 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | F57 H76 W100 C116 L117 | F57-T98 HydrophobicContact CD2-CG2 3.57Å; F57-T98 HydrophobicContact CE2-CG2 3.4Å; F57-T98 VanDerWaalsContact CE2-CG2 3.4Å; F57-T98 HydrophobicContact CZ-CG2 4.37Å; H76-T98 PolarHBondContact CE1-OG1 2.84Å; H76-T98 PolarHBondContact ND1-N 2.82Å; H76-T98 VanDerWaalsContact ND1-N 3.13Å; H76-T98 PolarHBondContact ND1-OG1 3.04Å; T98-W100 PolarHBondContact O-N 2.62Å; T98-C116 WeakPolarHBondContact O-CA 3.37Å; T98-C116 WeakPolarHBondContact O-CB 3.41Å; T98-L117 PolarHBondContact O-N 3.28Å | ||
| 99 | P | 90.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 117.1 | 169.5 | 22.9 | -27.3 | 0 | 0 | 0 | 108.4 | T72 H76 I78 R97 G115 | T72-P99 WeakPolarHBondContact CB-O 3.49Å; T72-P99 HydrophobicContact CG2-CB 3.9Å; T72-P99 HydrophobicContact CG2-CG 4.03Å; T72-P99 PolarHBondContact OG1-O 2.85Å; H76-P99 WeakPolarHBondContact O-CD 3.27Å; I78-P99 HydrophobicContact CD1-CB 3.98Å; I78-P99 HydrophobicContact CD1-CG 4.15Å; I78-P99 HydrophobicContact CG1-CB 4Å; I78-P99 HydrophobicContact CG1-CG 3.6Å; R97-P99 WeakPolarHBondContact O-CD 3.42Å; R97-P99 VanDerWaalsContact O-N 3.12Å; P99-G115 CarbonylContact C-O 3.58Å |
| 100 | W | 87.4 | Confident | 90.9 | Very high | 59 Ų | 59 | 42.5 Ų | 42.5 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -33.8 | -174 | -170.4 | -119.7 | 0 | 0 | 0 | 111.6 | F57 T98 G115 L117 V851 | F57-W100 HydrophobicContact CD1-CE3 4.44Å; F57-W100 AromaticContact CD1-CZ3 3.81Å; F57-W100 HydrophobicContact CD1-CZ3 3.81Å; F57-W100 AromaticContact CE1-CZ3 4Å; F57-W100 HydrophobicContact CE1-CZ3 4Å; F57-W100 HydrophobicContact CG-CZ3 4.33Å; T98-W100 PolarHBondContact O-N 2.62Å; W100-G115 PolarHBondContact N-O 2.98Å; W100-L117 HydrophobicContact CB-CD2 3.82Å; W100-L117 HydrophobicContact CB-CG 4.22Å; W100-L117 HydrophobicContact CD2-CD2 3.92Å; W100-L117 HydrophobicContact CE3-CD1 4.49Å; W100-L117 HydrophobicContact CE3-CD2 4.21Å; W100-L117 HydrophobicContact CG-CD2 3.76Å; W100-V851 HydrophobicContact CH2-CG2 4.26Å |
| 101 | C | 91.1 | Very high | 91 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.5 | 177.4 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | L58 S114 G115 | L58-C101 HydrophobicContact CD2-CB 4.41Å; C101-S114 WeakPolarHBondContact O-CA 3.13Å; C101-G115 PolarHBondContact N-O 2.83Å; C101-G115 PolarHBondContact O-N 3.12Å |
| 102 | V | 96.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 144.5 | 177.1 | 67 | 0 | 0 | 0 | 0 | 109.4 | L58 A60 A70 T72 I78 V112 A113 | L58-V102 HydrophobicContact CD2-CG1 4.33Å; A60-V102 HydrophobicContact CB-CG1 4.05Å; A70-V102 HydrophobicContact CB-CG1 4.48Å; A70-V102 HydrophobicContact CB-CG2 3.92Å; T72-V102 HydrophobicContact CG2-CB 3.71Å; T72-V102 HydrophobicContact CG2-CG1 3.63Å; I78-V102 HydrophobicContact CD1-CG2 4.37Å; I78-V102 HydrophobicContact CG2-CG2 4.3Å; V102-V112 HydrophobicContact CG2-CG1 3.66Å; V102-A113 CarbonylContact C-O 3.58Å; V102-A113 WeakPolarHBondContact CA-O 3.3Å; V102-A113 WeakPolarHBondContact CG2-O 3.43Å |
| 103 | T | 95.7 | Very high | 91.2 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 143.7 | 173.1 | -168 | 0 | 0 | 0 | 0 | 110.5 | A113 L144 F146 | T103-A113 HydrophobicContact CG2-CB 4.09Å; T103-A113 PolarHBondContact N-O 3.43Å; T103-A113 PolarHBondContact O-N 2.91Å; T103-L144 HydrophobicContact CG2-CB 4.26Å; T103-F146 HydrophobicContact CG2-CD2 3.8Å; T103-F146 HydrophobicContact CG2-CE2 4.2Å |
| 104 | F | 95.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 156.4 | 165.3 | -72.9 | -101.5 | 0 | 0 | 0 | 109.8 | A60 F61 L68 A70 I80 L111 V112 L126 F146 | A60-F104 HydrophobicContact CB-CD2 4.13Å; A60-F104 HydrophobicContact CB-CE2 4.48Å; F61-F104 WeakPolarHBondContact O-CD2 3.44Å; L68-F104 HydrophobicContact CB-CE1 4.3Å; L68-F104 HydrophobicContact CB-CZ 4.09Å; A70-F104 HydrophobicContact CB-CD2 4.36Å; A70-F104 HydrophobicContact CB-CE2 3.46Å; A70-F104 VanDerWaalsContact CB-CE2 3.46Å; A70-F104 HydrophobicContact CB-CZ 3.9Å; I80-F104 HydrophobicContact CD1-CZ 4.32Å; F104-L111 WeakPolarHBondContact CA-O 3.44Å; F104-V112 HydrophobicContact CD1-CG2 3.61Å; F104-V112 HydrophobicContact CE1-CG2 3.58Å; F104-V112 HydrophobicContact CG-CG2 4.2Å; F104-V112 HydrophobicContact CZ-CG2 4.17Å; F104-L126 HydrophobicContact CE1-CD1 4.39Å; F104-F146 WeakPolarHBondContact O-CD2 3.37Å |
| 105 | H | 93.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.023 | 15% | 0.148 | C | C | . | . | trans | -65.9 | 134.8 | 161.5 | -157.1 | -90.6 | 0 | 0 | 0 | 108.5 | P63 T107 I108 L111 F146 W166 | P63-H105 WeakPolarHBondContact CD-O 3.22Å; P63-H105 VanDerWaalsContact CG-O 3.25Å; P63-H105 WeakPolarHBondContact CG-O 3.29Å; H105-T107 VanDerWaalsContact C-N 3.27Å; H105-T107 PolarHBondContact CE1-OG1 3.37Å; H105-T107 PolarHBondContact ND1-OG1 3.24Å; H105-T107 PolarHBondContact O-N 3.06Å; H105-I108 HydrophobicContact CB-CB 4.07Å; H105-I108 WeakPolarHBondContact ND1-CG1 3.4Å; H105-I108 PolarHBondContact ND1-N 3.47Å; H105-L111 HydrophobicContact CB-CB 3.9Å; H105-L111 HydrophobicContact CB-CD2 4.05Å; H105-L111 HydrophobicContact CB-CG 4.31Å; H105-L111 PolarHBondContact N-O 3.22Å; H105-F146 VanDerWaalsContact CA-CD2 3.46Å; H105-F146 HydrophobicContact CB-CD2 4.03Å; H105-F146 HydrophobicContact CB-CE2 3.99Å; H105-F146 HydrophobicContact CB-CG 4.45Å; H105-F146 HydrophobicContact CB-CZ 4.4Å; H105-F146 AromaticContact CD2-CD1 3.44Å; H105-F146 VanDerWaalsContact CD2-CD1 3.44Å; H105-F146 WeakPolarHBondContact CD2-CD1 3.49Å; H105-F146 AromaticContact CD2-CD2 3.99Å; H105-F146 AromaticContact CD2-CE1 3.74Å; H105-F146 AromaticContact CD2-CG 3.55Å; H105-W166 AromaticContact CD2-CH2 3.69Å; H105-W166 AromaticContact NE2-CH2 3.53Å | ||
| 106 | P | 90.2 | Very high | 91.7 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -80.9 | -5.5 | -173.1 | 34.2 | -39 | 0 | 0 | 0 | 113.8 | P63 P148 | P63-P106 WeakPolarHBondContact CB-O 3.42Å; P63-P106 VanDerWaalsContact CG-C 3.5Å; P63-P106 WeakPolarHBondContact CG-O 3.48Å; P106-P148 HydrophobicContact CB-CB 4.44Å; P106-P148 VanDerWaalsContact CG-CA 3.48Å; P106-P148 HydrophobicContact CG-CB 3.56Å |
| 107 | T | 87.8 | Confident | 91.6 | Very high | 86 Ų | 86 | 26.5 Ų | 26.5 | 53% | 0.528 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -133.1 | -17.1 | -178.1 | 47.2 | 0 | 0 | 0 | 0 | 114.9 | H105 P148 | H105-T107 VanDerWaalsContact C-N 3.27Å; H105-T107 PolarHBondContact CE1-OG1 3.37Å; H105-T107 PolarHBondContact ND1-OG1 3.24Å; H105-T107 PolarHBondContact O-N 3.06Å; T107-P148 WeakPolarHBondContact CG2-O 3.44Å; T107-P148 PolarHBondContact OG1-O 2.94Å |
| 108 | I | 88.6 | Confident | 91.6 | Very high | 54 Ų | 54 | 22.8 Ų | 22.8 | 28% | 0.277 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -106.8 | 115.3 | 179 | -61.8 | 170.8 | 0 | 0 | 0 | 106.9 | H105 L111 | H105-I108 HydrophobicContact CB-CB 4.07Å; H105-I108 WeakPolarHBondContact ND1-CG1 3.4Å; H105-I108 PolarHBondContact ND1-N 3.47Å; I108-L111 HydrophobicContact CB-CB 4.2Å; I108-L111 HydrophobicContact CB-CD2 4.35Å; I108-L111 HydrophobicContact CD1-CD2 4.04Å; I108-L111 HydrophobicContact CG2-CB 3.85Å; I108-L111 HydrophobicContact CG2-CD2 4.26Å |
| 109 | P | 87.9 | Confident | 91.7 | Very high | 72 Ų | 72 | 22.1 Ų | 22.1 | 47% | 0.468 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 149.6 | 177.8 | 29.7 | -34.9 | 0 | 0 | 0 | 110.1 | L111 | P109-L111 PolarHBondContact O-N 2.84Š|
| 110 | G | 87.9 | Confident | 91.9 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | -8.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | L126 | G110-L126 VanDerWaalsContact O-CG 3.3Å; G110-L126 WeakPolarHBondContact O-CG 3.39Å; G110-L126 PolarHBondContact O-N 3.24Å |
| 111 | L | 92.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125 | 179.6 | -165.6 | 69.9 | 0 | 0 | 0 | 111.7 | F104 H105 I108 P109 I123 F146 W166 | F104-L111 WeakPolarHBondContact CA-O 3.44Å; H105-L111 HydrophobicContact CB-CB 3.9Å; H105-L111 HydrophobicContact CB-CD2 4.05Å; H105-L111 HydrophobicContact CB-CG 4.31Å; H105-L111 PolarHBondContact N-O 3.22Å; I108-L111 HydrophobicContact CB-CB 4.2Å; I108-L111 HydrophobicContact CB-CD2 4.35Å; I108-L111 HydrophobicContact CD1-CD2 4.04Å; I108-L111 HydrophobicContact CG2-CB 3.85Å; I108-L111 HydrophobicContact CG2-CD2 4.26Å; P109-L111 PolarHBondContact O-N 2.84Å; L111-I123 HydrophobicContact CD1-CG2 3.5Å; L111-I123 HydrophobicContact CG-CG2 4.17Å; L111-F146 HydrophobicContact CD2-CZ 4.35Å; L111-F146 HydrophobicContact CG-CZ 4.31Å; L111-W166 HydrophobicContact CD2-CH2 4.39Å; L111-W166 HydrophobicContact CD2-CZ2 3.6Å |
| 112 | V | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 126.8 | -174.6 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | V102 F104 I123 W124 L126 | V102-V112 HydrophobicContact CG2-CG1 3.66Å; F104-V112 HydrophobicContact CD1-CG2 3.61Å; F104-V112 HydrophobicContact CE1-CG2 3.58Å; F104-V112 HydrophobicContact CG-CG2 4.2Å; F104-V112 HydrophobicContact CZ-CG2 4.17Å; V112-I123 CarbonylContact O-C 3.45Å; V112-I123 WeakPolarHBondContact O-CA 3.48Å; V112-W124 HydrophobicContact CB-CB 4.44Å; V112-W124 PolarHBondContact N-O 2.95Å; V112-W124 PolarHBondContact O-N 2.81Å; V112-L126 HydrophobicContact CG2-CG 4.41Å |
| 113 | A | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 147.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V102 T103 R122 I123 L144 F146 L153 | V102-A113 CarbonylContact C-O 3.58Å; V102-A113 WeakPolarHBondContact CA-O 3.3Å; V102-A113 WeakPolarHBondContact CG2-O 3.43Å; T103-A113 HydrophobicContact CG2-CB 4.09Å; T103-A113 PolarHBondContact N-O 3.43Å; T103-A113 PolarHBondContact O-N 2.91Å; A113-R122 CarbonylContact C-O 3.58Å; A113-R122 WeakPolarHBondContact CA-O 3.48Å; A113-I123 HydrophobicContact CB-CD1 3.79Å; A113-L144 HydrophobicContact CB-CD1 4.19Å; A113-F146 HydrophobicContact CB-CD2 4.22Å; A113-F146 HydrophobicContact CB-CE1 4.15Å; A113-F146 HydrophobicContact CB-CE2 3.45Å; A113-F146 VanDerWaalsContact CB-CE2 3.45Å; A113-F146 HydrophobicContact CB-CZ 3.43Å; A113-F146 VanDerWaalsContact CB-CZ 3.43Å; A113-L153 HydrophobicContact CB-CD1 3.59Å; A113-L153 HydrophobicContact CB-CD2 3.99Å; A113-L153 HydrophobicContact CB-CG 4.47Å |
| 114 | S | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 144.2 | -179.4 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | H95 C101 V121 R122 W124 | H95-S114 PolarHBondContact NE2-OG 2.93Å; C101-S114 WeakPolarHBondContact O-CA 3.13Å; S114-V121 CarbonylContact O-C 3.5Å; S114-V121 WeakPolarHBondContact O-CA 3.18Å; S114-R122 PolarHBondContact N-O 2.95Å; S114-R122 PolarHBondContact O-N 3.19Å; S114-R122 PolarHBondContact OG-O 2.88Å; S114-W124 PolarHBondContact OG-NE1 2.81Å |
| 115 | G | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 137 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | P99 W100 C101 E120 | P99-G115 CarbonylContact C-O 3.58Å; W100-G115 PolarHBondContact N-O 2.98Å; C101-G115 PolarHBondContact N-O 2.83Å; C101-G115 PolarHBondContact O-N 3.12Å; G115-E120 WeakPolarHBondContact CA-O 3.3Å |
| 116 | C | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 171 | -173.9 | 92.9 | 0 | 0 | 0 | 0 | 114.2 | H95 R97 T98 D118 G119 E120 I141 | H95-C116 HydrophobicContact CB-CB 4.45Å; R97-C116 HydrophobicContact CB-CB 4.45Å; R97-C116 WeakPolarHBondContact O-CB 3.19Å; T98-C116 WeakPolarHBondContact O-CA 3.37Å; T98-C116 WeakPolarHBondContact O-CB 3.41Å; C116-D118 PolarHBondContact O-N 2.95Å; C116-D118 PolarHBondContact SG-N 2.89Å; C116-G119 PolarHBondContact O-N 2.83Å; C116-E120 PolarHBondContact N-O 2.86Å; C116-E120 VanDerWaalsContact SG-CB 3.59Å; C116-I141 PolarHBondContact O-N 3.22Å |
| 117 | L | 88.8 | Confident | 92.1 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 34% | 0.34 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12.9 | -179.3 | -63.5 | 177.2 | 0 | 0 | 0 | 114.7 | R97 T98 W100 A140 | R97-L117 HydrophobicContact CB-CB 4.46Å; R97-L117 HydrophobicContact CG-CB 3.99Å; T98-L117 PolarHBondContact O-N 3.28Å; W100-L117 HydrophobicContact CB-CD2 3.82Å; W100-L117 HydrophobicContact CB-CG 4.22Å; W100-L117 HydrophobicContact CD2-CD2 3.92Å; W100-L117 HydrophobicContact CE3-CD1 4.49Å; W100-L117 HydrophobicContact CE3-CD2 4.21Å; W100-L117 HydrophobicContact CG-CD2 3.76Å; L117-A140 HydrophobicContact CD2-CB 4.23Å; L117-A140 WeakPolarHBondContact O-CA 3.37Å; L117-A140 WeakPolarHBondContact O-CB 3.43Å |
| 118 | D | 87.3 | Confident | 91.8 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 20% | 0.198 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 8.2 | 174.3 | -78.8 | 24.8 | 0 | 0 | 0 | 112.5 | R96 R97 C116 N138 | R96-D118 IonicContact CZ-OD2 2.85Å; R96-D118 IonicContact NE-OD2 2.82Å; R96-D118 IonicContact NH2-OD2 3.17Å; R96-D118 PolarHBondContact NH2-OD2 3.01Å; R97-D118 HydrophobicContact CB-CB 3.94Å; R97-D118 VanDerWaalsContact CB-OD1 3.28Å; R97-D118 WeakPolarHBondContact CB-OD1 3.35Å; R97-D118 VanDerWaalsContact CD-OD1 3.3Å; R97-D118 WeakPolarHBondContact CD-OD1 3.11Å; R97-D118 WeakPolarHBondContact CG-OD1 3.37Å; C116-D118 PolarHBondContact O-N 2.95Å; C116-D118 PolarHBondContact SG-N 2.89Å; D118-N138 CarbonylContact O-C 3.5Å; D118-N138 VanDerWaalsContact O-CA 3.3Å; D118-N138 WeakPolarHBondContact O-CA 3.44Å; D118-N138 VanDerWaalsContact O-CB 3.31Å; D118-N138 WeakPolarHBondContact O-CB 3.18Å; D118-N138 PolarHBondContact O-OD1 2.8Å |
| 119 | G | 89.6 | Confident | 91.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 79.5 | 16.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | C116 T135 V139 | C116-G119 PolarHBondContact O-N 2.83Å; G119-T135 WeakPolarHBondContact CA-OG1 3.36Å; G119-T135 PolarHBondContact O-N 2.81Å; G119-T135 PolarHBondContact O-OG1 2.96Å; G119-V139 WeakPolarHBondContact CA-O 3.34Å |
| 120 | E | 94.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.6 | 171.1 | -174 | 175.8 | -171.1 | 0 | 0 | 110.1 | H95 R96 G115 C116 R122 F134 | H95-E120 WeakPolarHBondContact CA-OE2 3.19Å; H95-E120 IonicContact ND1-OE2 3.74Å; R96-E120 PolarHBondContact N-OE2 2.86Å; G115-E120 WeakPolarHBondContact CA-O 3.3Å; C116-E120 PolarHBondContact N-O 2.86Å; C116-E120 VanDerWaalsContact SG-CB 3.59Å; E120-R122 HydrophobicContact CG-CG 4.28Å; E120-R122 IonicContact OE1-CZ 3.08Å; E120-R122 IonicContact OE1-NE 2.92Å; E120-R122 PolarHBondContact OE1-NE 3.37Å; E120-R122 IonicContact OE1-NH2 3.3Å; E120-R122 PolarHBondContact OE1-NH2 3.02Å; E120-F134 HydrophobicContact CB-CD1 3.8Å; E120-F134 HydrophobicContact CB-CE1 3.5Å; E120-F134 HydrophobicContact CB-CZ 4.18Å; E120-F134 VanDerWaalsContact CD-CZ 3.45Å; E120-F134 HydrophobicContact CG-CD1 4.03Å; E120-F134 HydrophobicContact CG-CE1 3.42Å; E120-F134 VanDerWaalsContact CG-CE1 3.42Å; E120-F134 HydrophobicContact CG-CE2 4.25Å; E120-F134 HydrophobicContact CG-CZ 3.55Å; E120-F134 WeakPolarHBondContact OE1-CZ 3.3Å |
| 121 | V | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132 | 169 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | S114 S132 W133 I141 L144 L153 I155 W164 | S114-V121 CarbonylContact O-C 3.5Å; S114-V121 WeakPolarHBondContact O-CA 3.18Å; V121-S132 CarbonylContact O-C 3.51Å; V121-S132 WeakPolarHBondContact O-CA 3.1Å; V121-W133 HydrophobicContact CB-CE3 4.36Å; V121-W133 HydrophobicContact CG2-CE3 4.12Å; V121-W133 HydrophobicContact CG2-CZ3 4.41Å; V121-W133 PolarHBondContact N-O 2.85Å; V121-W133 PolarHBondContact O-N 2.89Å; V121-I141 HydrophobicContact CG2-CD1 3.58Å; V121-I141 HydrophobicContact CG2-CG1 3.7Å; V121-I141 HydrophobicContact CG2-CG2 4.28Å; V121-L144 HydrophobicContact CG1-CD1 4.24Å; V121-L144 HydrophobicContact CG1-CD2 4.27Å; V121-L153 HydrophobicContact CG1-CD2 3.88Å; V121-I155 HydrophobicContact CG1-CD1 4.37Å; V121-I155 HydrophobicContact CG2-CD1 4.15Å; V121-I155 HydrophobicContact CG2-CG1 4.4Å; V121-I155 HydrophobicContact CG2-CG2 3.8Å; V121-W164 HydrophobicContact CB-CZ3 4.41Å; V121-W164 HydrophobicContact CG1-CE3 4.25Å; V121-W164 HydrophobicContact CG1-CZ3 3.82Å |
| 122 | R | 95.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 28.4 Ų | 28.4 | 14% | 0.143 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.6 | 175.7 | -69.8 | -174.5 | 177.4 | -141.8 | -1.1 | 112.2 | G94 A113 S114 E120 W124 E131 | G94-R122 PolarHBondContact O-NH2 2.9Å; A113-R122 CarbonylContact C-O 3.58Å; A113-R122 WeakPolarHBondContact CA-O 3.48Å; S114-R122 PolarHBondContact N-O 2.95Å; S114-R122 PolarHBondContact O-N 3.19Å; S114-R122 PolarHBondContact OG-O 2.88Å; E120-R122 HydrophobicContact CG-CG 4.28Å; E120-R122 IonicContact OE1-CZ 3.08Å; E120-R122 IonicContact OE1-NE 2.92Å; E120-R122 PolarHBondContact OE1-NE 3.37Å; E120-R122 IonicContact OE1-NH2 3.3Å; E120-R122 PolarHBondContact OE1-NH2 3.02Å; R122-W124 HydrophobicContact CB-CZ2 4.11Å; R122-W124 HydrophobicContact CG-CZ2 4.37Å; R122-E131 CarbonylContact C-O 3.56Å; R122-E131 VanDerWaalsContact CA-O 3.3Å; R122-E131 WeakPolarHBondContact CA-O 3.35Å |
| 123 | I | 96.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 137.3 | 158.3 | -51.6 | -61.4 | 0 | 0 | 0 | 107.5 | L111 V112 A113 S130 E131 F146 L153 W164 W166 | L111-I123 HydrophobicContact CD1-CG2 3.5Å; L111-I123 HydrophobicContact CG-CG2 4.17Å; V112-I123 CarbonylContact O-C 3.45Å; V112-I123 WeakPolarHBondContact O-CA 3.48Å; A113-I123 HydrophobicContact CB-CD1 3.79Å; I123-S130 CarbonylContact O-C 3.54Å; I123-S130 WeakPolarHBondContact O-CA 3.45Å; I123-S130 WeakPolarHBondContact O-CB 3.44Å; I123-E131 PolarHBondContact N-O 3.12Å; I123-E131 PolarHBondContact O-N 3.16Å; I123-F146 HydrophobicContact CD1-CE1 4.01Å; I123-F146 HydrophobicContact CD1-CZ 3.95Å; I123-L153 HydrophobicContact CD1-CD2 4.09Å; I123-W164 HydrophobicContact CD1-CE3 4.49Å; I123-W164 HydrophobicContact CD1-CZ3 3.9Å; I123-W164 HydrophobicContact CG1-CH2 3.76Å; I123-W164 HydrophobicContact CG1-CZ3 3.62Å; I123-W166 HydrophobicContact CD1-CB 4.47Å; I123-W166 HydrophobicContact CG1-CB 3.79Å; I123-W166 HydrophobicContact CG1-CG 4.09Å |
| 124 | W | 95.3 | Very high | 91.5 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 5% | 0.053 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.9 | 173 | -47.6 | 85.1 | 0 | 0 | 0 | 108.5 | L92 V93 H95 V112 S114 R122 | L92-W124 HydrophobicContact CB-CD2 3.91Å; L92-W124 HydrophobicContact CB-CE3 3.95Å; L92-W124 HydrophobicContact CB-CH2 4.05Å; L92-W124 HydrophobicContact CB-CZ2 4Å; L92-W124 HydrophobicContact CB-CZ3 4.02Å; L92-W124 HydrophobicContact CD1-CB 4.07Å; L92-W124 HydrophobicContact CD1-CD2 4Å; L92-W124 HydrophobicContact CD1-CG 3.75Å; L92-W124 HydrophobicContact CD2-CB 4.48Å; L92-W124 HydrophobicContact CD2-CD2 4.29Å; L92-W124 HydrophobicContact CD2-CE3 4.08Å; L92-W124 HydrophobicContact CD2-CG 4.49Å; L92-W124 HydrophobicContact CG-CD2 4.28Å; L92-W124 HydrophobicContact CG-CE3 4.42Å; L92-W124 HydrophobicContact CG-CG 4.49Å; V93-W124 WeakPolarHBondContact O-CH2 3.48Å; H95-W124 AromaticContact CD2-CZ2 3.86Å; V112-W124 HydrophobicContact CB-CB 4.44Å; V112-W124 PolarHBondContact N-O 2.95Å; V112-W124 PolarHBondContact O-N 2.81Å; S114-W124 PolarHBondContact OG-NE1 2.81Å; R122-W124 HydrophobicContact CB-CZ2 4.11Å; R122-W124 HydrophobicContact CG-CZ2 4.37Å |
| 125 | D | 92.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.1 | 160.7 | -177.9 | 1.3 | 0 | 0 | 0 | 108.1 | H127 G128 G129 | D125-H127 PolarHBondContact O-N 3.16Å; D125-H127 WeakPolarHBondContact OD1-CB 3.28Å; D125-H127 IonicContact OD1-CD2 2.75Å; D125-H127 PolarHBondContact OD1-CD2 2.91Å; D125-H127 VanDerWaalsContact OD1-CD2 3.32Å; D125-H127 IonicContact OD1-CG 3.27Å; D125-H127 PolarHBondContact OD1-N 3.46Å; D125-G128 WeakPolarHBondContact O-CA 3.19Å; D125-G128 PolarHBondContact O-N 3.36Å; D125-G129 PolarHBondContact N-O 2.79Å |
| 126 | L | 90.9 | Very high | 90.7 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16 | 175.1 | -62.9 | -172.3 | 0 | 0 | 0 | 113.2 | L68 I80 L92 F104 G110 V112 G128 | L68-L126 HydrophobicContact CD1-CD1 3.83Å; I80-L126 HydrophobicContact CD1-CD2 4.33Å; I80-L126 HydrophobicContact CG1-CD1 4.19Å; I80-L126 HydrophobicContact CG1-CD2 3.81Å; I80-L126 HydrophobicContact CG2-CD1 3.97Å; L92-L126 HydrophobicContact CD1-CD2 4.16Å; L92-L126 HydrophobicContact CD2-CD2 3.81Å; L92-L126 HydrophobicContact CG-CD2 4.47Å; F104-L126 HydrophobicContact CE1-CD1 4.39Å; G110-L126 VanDerWaalsContact O-CG 3.3Å; G110-L126 WeakPolarHBondContact O-CG 3.39Å; G110-L126 PolarHBondContact O-N 3.24Å; V112-L126 HydrophobicContact CG2-CG 4.41Å; L126-G128 VanDerWaalsContact C-N 3.34Å |
| 127 | H | 86.9 | Confident | 90.2 | Very high | 141 Ų | 141 | 47.2 Ų | 47.2 | 65% | 0.653 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.3 | 169.4 | -58.6 | -63.7 | 0 | 0 | 0 | 113.2 | D125 | D125-H127 PolarHBondContact O-N 3.16Å; D125-H127 WeakPolarHBondContact OD1-CB 3.28Å; D125-H127 IonicContact OD1-CD2 2.75Å; D125-H127 PolarHBondContact OD1-CD2 2.91Å; D125-H127 VanDerWaalsContact OD1-CD2 3.32Å; D125-H127 IonicContact OD1-CG 3.27Å; D125-H127 PolarHBondContact OD1-N 3.46Å |
| 128 | G | 83.1 | Confident | 90.1 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 52% | 0.515 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 132.9 | 109.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D125 L126 | D125-G128 WeakPolarHBondContact O-CA 3.19Å; D125-G128 PolarHBondContact O-N 3.36Å; L126-G128 VanDerWaalsContact C-N 3.34Å |
| 129 | G | 83.1 | Confident | 90.1 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | 160.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D125 | D125-G129 PolarHBondContact N-O 2.79Å |
| 130 | S | 89.7 | Confident | 90.1 | Very high | 50 Ų | 50 | 50.3 Ų | 50.3 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 125.3 | 170.7 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | I123 | I123-S130 CarbonylContact O-C 3.54Å; I123-S130 WeakPolarHBondContact O-CA 3.45Å; I123-S130 WeakPolarHBondContact O-CB 3.44Å |
| 131 | E | 89.9 | Confident | 89.9 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 29% | 0.29 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.5 | 171.7 | -63.6 | -51.4 | 142.6 | 0 | 0 | 110.3 | R122 I123 | R122-E131 CarbonylContact C-O 3.56Å; R122-E131 VanDerWaalsContact CA-O 3.3Å; R122-E131 WeakPolarHBondContact CA-O 3.35Å; I123-E131 PolarHBondContact N-O 3.12Å; I123-E131 PolarHBondContact O-N 3.16Å |
| 132 | S | 92.3 | Very high | 89.6 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 37% | 0.371 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 127.6 | -174.4 | 65 | 0 | 0 | 0 | 0 | 112.6 | V121 | V121-S132 CarbonylContact O-C 3.51Å; V121-S132 WeakPolarHBondContact O-CA 3.1Å |
| 133 | W | 94.1 | Very high | 89.4 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 151.3 | 168.7 | 174.3 | 72.2 | 0 | 0 | 0 | 110.7 | V121 T135 I155 H162 W164 P169 P171 | V121-W133 HydrophobicContact CB-CE3 4.36Å; V121-W133 HydrophobicContact CG2-CE3 4.12Å; V121-W133 HydrophobicContact CG2-CZ3 4.41Å; V121-W133 PolarHBondContact N-O 2.85Å; V121-W133 PolarHBondContact O-N 2.89Å; W133-T135 HydrophobicContact CH2-CG2 3.58Å; W133-T135 HydrophobicContact CZ2-CG2 4.46Å; W133-T135 HydrophobicContact CZ3-CG2 3.64Å; W133-I155 HydrophobicContact CE3-CD1 3.75Å; W133-I155 HydrophobicContact CZ3-CD1 3.73Å; W133-I155 HydrophobicContact CZ3-CG2 4.31Å; W133-H162 HydrophobicContact CH2-CB 4.48Å; W133-H162 AromaticContact CH2-CG 3.96Å; W133-H162 AromaticContact CH2-ND1 3.71Å; W133-W164 HydrophobicContact CB-CH2 3.98Å; W133-W164 HydrophobicContact CB-CZ2 3.85Å; W133-W164 HydrophobicContact CB-CZ3 4.41Å; W133-P169 VanDerWaalsContact CD1-O 3.27Å; W133-P171 HydrophobicContact CD2-CG 3.89Å; W133-P171 HydrophobicContact CE3-CG 4.12Å; W133-P171 HydrophobicContact CH2-CG 3.81Å; W133-P171 HydrophobicContact CZ2-CG 3.6Å; W133-P171 HydrophobicContact CZ3-CG 4.09Å; W133-P171 VanDerWaalsContact NE1-CD 3.27Å |
| 134 | F | 93.8 | Very high | 89.5 | Confident | 81 Ų | 81 | 48.8 Ų | 48.8 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132 | 177.5 | -70.4 | -94.1 | 0 | 0 | 0 | 110.3 | E120 E136 | E120-F134 HydrophobicContact CB-CD1 3.8Å; E120-F134 HydrophobicContact CB-CE1 3.5Å; E120-F134 HydrophobicContact CB-CZ 4.18Å; E120-F134 VanDerWaalsContact CD-CZ 3.45Å; E120-F134 HydrophobicContact CG-CD1 4.03Å; E120-F134 HydrophobicContact CG-CE1 3.42Å; E120-F134 VanDerWaalsContact CG-CE1 3.42Å; E120-F134 HydrophobicContact CG-CE2 4.25Å; E120-F134 HydrophobicContact CG-CZ 3.55Å; E120-F134 WeakPolarHBondContact OE1-CZ 3.3Å; F134-E136 PolarHBondContact O-N 3.27Å |
| 135 | T | 90.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | trans | -61.1 | 135.4 | 166.8 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | G119 W133 S137 N138 V139 I141 T157 | G119-T135 WeakPolarHBondContact CA-OG1 3.36Å; G119-T135 PolarHBondContact O-N 2.81Å; G119-T135 PolarHBondContact O-OG1 2.96Å; W133-T135 HydrophobicContact CH2-CG2 3.58Å; W133-T135 HydrophobicContact CZ2-CG2 4.46Å; W133-T135 HydrophobicContact CZ3-CG2 3.64Å; T135-S137 PolarHBondContact O-N 2.76Å; T135-N138 PolarHBondContact O-N 3.47Å; T135-N138 WeakPolarHBondContact OG1-CA 3.43Å; T135-N138 PolarHBondContact OG1-N 3.18Å; T135-V139 PolarHBondContact OG1-N 3.35Å; T135-I141 HydrophobicContact CG2-CD1 3.76Å; T135-T157 HydrophobicContact CG2-CG2 3.7Å | ||
| 136 | E | 82.1 | Confident | 89.8 | Confident | 184 Ų | 184 | 47.7 Ų | 47.7 | 86% | 0.86 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -37.1 | -177.4 | -60.2 | 176.5 | 173.4 | 0 | 0 | 113.6 | F134 | F134-E136 PolarHBondContact O-N 3.27Š|
| 137 | S | 82.9 | Confident | 89.9 | Confident | 97 Ų | 97 | 46.8 Ų | 46.8 | 68% | 0.678 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 17.6 | -177.6 | -65.7 | 0 | 0 | 0 | 0 | 114.7 | T135 V139 | T135-S137 PolarHBondContact O-N 2.76Å; S137-V139 VanDerWaalsContact C-N 3.26Å; S137-V139 PolarHBondContact O-N 3.29Å |
| 138 | N | 85.6 | Confident | 90.1 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | trans | 50.6 | 42.2 | -176.8 | -67.6 | -111.2 | 0 | 0 | 0 | 112.8 | R96 D118 T135 | R96-N138 PolarHBondContact NH1-OD1 2.82Å; D118-N138 CarbonylContact O-C 3.5Å; D118-N138 VanDerWaalsContact O-CA 3.3Å; D118-N138 WeakPolarHBondContact O-CA 3.44Å; D118-N138 VanDerWaalsContact O-CB 3.31Å; D118-N138 WeakPolarHBondContact O-CB 3.18Å; D118-N138 PolarHBondContact O-OD1 2.8Å; T135-N138 PolarHBondContact O-N 3.47Å; T135-N138 WeakPolarHBondContact OG1-CA 3.43Å; T135-N138 PolarHBondContact OG1-N 3.18Å | ||
| 139 | V | 87.6 | Confident | 90.4 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 28% | 0.279 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 119.8 | -174.4 | -179 | 0 | 0 | 0 | 0 | 110.1 | G119 T135 S137 I141 N158 | G119-V139 WeakPolarHBondContact CA-O 3.34Å; T135-V139 PolarHBondContact OG1-N 3.35Å; S137-V139 VanDerWaalsContact C-N 3.26Å; S137-V139 PolarHBondContact O-N 3.29Å; V139-I141 PolarHBondContact O-N 2.95Å; V139-N158 HydrophobicContact CG1-CB 3.65Å |
| 140 | A | 88.4 | Confident | 90.7 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 36% | 0.355 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -46.4 | 126.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L117 A142 | L117-A140 HydrophobicContact CD2-CB 4.23Å; L117-A140 WeakPolarHBondContact O-CA 3.37Å; L117-A140 WeakPolarHBondContact O-CB 3.43Å; A140-A142 PolarHBondContact O-N 3.33Å |
| 141 | I | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 116.7 | -179.4 | -47.1 | -59.5 | 0 | 0 | 0 | 109.5 | C116 V121 T135 V139 L144 I155 T157 | C116-I141 PolarHBondContact O-N 3.22Å; V121-I141 HydrophobicContact CG2-CD1 3.58Å; V121-I141 HydrophobicContact CG2-CG1 3.7Å; V121-I141 HydrophobicContact CG2-CG2 4.28Å; T135-I141 HydrophobicContact CG2-CD1 3.76Å; V139-I141 PolarHBondContact O-N 2.95Å; I141-L144 HydrophobicContact CG2-CD2 3.89Å; I141-L144 HydrophobicContact CG2-CG 4.1Å; I141-I155 HydrophobicContact CD1-CG2 3.97Å; I141-I155 HydrophobicContact CG2-CG2 3.9Å; I141-T157 HydrophobicContact CD1-CG2 4.1Å |
| 142 | A | 90.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | trans | -77.4 | -45.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A140 A156 V184 R185 | A140-A142 PolarHBondContact O-N 3.33Å; A142-A156 HydrophobicContact CB-CB 4.39Å; A142-A156 PolarHBondContact N-O 3.02Å; A142-V184 WeakPolarHBondContact CB-O 3.39Å; A142-R185 PolarHBondContact O-NH1 2.89Å | ||
| 143 | S | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 157.8 | -174.1 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | A156 V187 D892 | S143-A156 PolarHBondContact O-N 3.03Å; S143-A156 VanDerWaalsContact O-N 3.09Å; S143-V187 PolarHBondContact OG-N 2.84Å; S143-V187 VanDerWaalsContact OG-N 3.14Å; S143-V187 PolarHBondContact OG-O 3.04Å; S143-D892 WeakPolarHBondContact CB-OD1 3.49Å; S143-D892 PolarHBondContact OG-OD1 2.71Å; S143-D892 PolarHBondContact OG-OD2 3.25Å |
| 144 | L | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.1 | -178.8 | -70.1 | 179.2 | 0 | 0 | 0 | 111.4 | T103 A113 V121 I141 L153 L154 I155 R188 | T103-L144 HydrophobicContact CG2-CB 4.26Å; A113-L144 HydrophobicContact CB-CD1 4.19Å; V121-L144 HydrophobicContact CG1-CD1 4.24Å; V121-L144 HydrophobicContact CG1-CD2 4.27Å; I141-L144 HydrophobicContact CG2-CD2 3.89Å; I141-L144 HydrophobicContact CG2-CG 4.1Å; L144-L153 HydrophobicContact CB-CD1 4.47Å; L144-L153 HydrophobicContact CD2-CD2 3.96Å; L144-L153 HydrophobicContact CD2-CG 4.39Å; L144-L154 WeakPolarHBondContact CA-O 3.34Å; L144-I155 HydrophobicContact CD2-CB 3.99Å; L144-I155 HydrophobicContact CD2-CG1 3.77Å; L144-I155 HydrophobicContact CD2-CG2 3.88Å; L144-R188 PolarHBondContact O-NH2 3.1Å |
| 145 | A | 96.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 126.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L154 V187 F189 | A145-L154 PolarHBondContact N-O 2.85Å; A145-L154 VanDerWaalsContact N-O 3.17Å; A145-L154 PolarHBondContact O-N 3.33Å; A145-V187 HydrophobicContact CB-CG2 4.16Å; A145-F189 HydrophobicContact CB-CD2 4.06Å; A145-F189 HydrophobicContact CB-CE2 4.47Å |
| 146 | F | 96.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.044 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.1 | 166.4 | -74.3 | -68.8 | 0 | 0 | 0 | 110.6 | T103 F104 H105 L111 A113 I123 L153 W166 F189 | T103-F146 HydrophobicContact CG2-CD2 3.8Å; T103-F146 HydrophobicContact CG2-CE2 4.2Å; F104-F146 WeakPolarHBondContact O-CD2 3.37Å; H105-F146 VanDerWaalsContact CA-CD2 3.46Å; H105-F146 HydrophobicContact CB-CD2 4.03Å; H105-F146 HydrophobicContact CB-CE2 3.99Å; H105-F146 HydrophobicContact CB-CG 4.45Å; H105-F146 HydrophobicContact CB-CZ 4.4Å; H105-F146 AromaticContact CD2-CD1 3.44Å; H105-F146 VanDerWaalsContact CD2-CD1 3.44Å; H105-F146 WeakPolarHBondContact CD2-CD1 3.49Å; H105-F146 AromaticContact CD2-CD2 3.99Å; H105-F146 AromaticContact CD2-CE1 3.74Å; H105-F146 AromaticContact CD2-CG 3.55Å; L111-F146 HydrophobicContact CD2-CZ 4.35Å; L111-F146 HydrophobicContact CG-CZ 4.31Å; A113-F146 HydrophobicContact CB-CD2 4.22Å; A113-F146 HydrophobicContact CB-CE1 4.15Å; A113-F146 HydrophobicContact CB-CE2 3.45Å; A113-F146 VanDerWaalsContact CB-CE2 3.45Å; A113-F146 HydrophobicContact CB-CZ 3.43Å; A113-F146 VanDerWaalsContact CB-CZ 3.43Å; I123-F146 HydrophobicContact CD1-CE1 4.01Å; I123-F146 HydrophobicContact CD1-CZ 3.95Å; F146-L153 HydrophobicContact CD1-CB 4.13Å; F146-L153 HydrophobicContact CD1-CD1 3.53Å; F146-L153 HydrophobicContact CD1-CG 4.45Å; F146-L153 HydrophobicContact CD2-CD1 4.19Å; F146-L153 HydrophobicContact CE1-CB 4.32Å; F146-L153 HydrophobicContact CE1-CD1 3.79Å; F146-L153 HydrophobicContact CE2-CD1 4.43Å; F146-L153 HydrophobicContact CG-CD1 3.78Å; F146-L153 HydrophobicContact CZ-CD1 4.27Å; F146-W166 HydrophobicContact CD1-CE3 4.39Å; F146-W166 AromaticContact CD1-CH2 3.8Å; F146-W166 HydrophobicContact CD1-CH2 3.8Å; F146-W166 AromaticContact CD1-CZ3 3.57Å; F146-W166 HydrophobicContact CD1-CZ3 3.57Å; F146-W166 AromaticContact CE1-CE3 3.92Å; F146-W166 HydrophobicContact CE1-CE3 3.92Å; F146-W166 AromaticContact CE1-CH2 3.69Å; F146-W166 HydrophobicContact CE1-CH2 3.69Å; F146-W166 HydrophobicContact CE1-CZ2 4.31Å; F146-W166 AromaticContact CE1-CZ3 3.47Å; F146-W166 HydrophobicContact CE1-CZ3 3.47Å; F146-W166 VanDerWaalsContact CE1-CZ3 3.47Å; F146-F189 VanDerWaalsContact O-CD2 3.28Å; F146-F189 WeakPolarHBondContact O-CD2 3.17Å |
| 147 | H | 94.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | trans | -72.7 | 139 | 163.3 | -171.7 | -103.4 | 0 | 0 | 0 | 109.7 | T149 A150 L152 F189 G193 F870 | H147-T149 PolarHBondContact CE1-OG1 2.92Å; H147-A150 VanDerWaalsContact ND1-CB 3.3Å; H147-A150 WeakPolarHBondContact ND1-CB 3.24Å; H147-A150 PolarHBondContact ND1-N 2.89Å; H147-A150 VanDerWaalsContact ND1-N 3.16Å; H147-L152 HydrophobicContact CB-CB 4.04Å; H147-L152 HydrophobicContact CB-CD2 4.46Å; H147-L152 HydrophobicContact CB-CG 4.48Å; H147-L152 PolarHBondContact N-O 2.62Å; H147-F189 HydrophobicContact CB-CD2 4.3Å; H147-F189 HydrophobicContact CB-CE2 3.83Å; H147-F189 HydrophobicContact CB-CZ 4.03Å; H147-F189 AromaticContact CD2-CD1 3.92Å; H147-F189 AromaticContact CD2-CE1 3.69Å; H147-F189 AromaticContact CD2-CZ 3.87Å; H147-G193 WeakPolarHBondContact NE2-CA 3.37Å; H147-G193 PolarHBondContact NE2-O 2.83Å; H147-F870 AromaticContact CE1-CE1 3.55Å; H147-F870 AromaticContact CE1-CZ 3.97Å; H147-F870 AromaticContact NE2-CE1 3.88Å | ||
| 148 | P | 90.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 21 Ų | 21 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -77.1 | -23.1 | -170.7 | 26.1 | -32.8 | 0 | 0 | 0 | 116 | P106 T107 G193 | P106-P148 HydrophobicContact CB-CB 4.44Å; P106-P148 VanDerWaalsContact CG-CA 3.48Å; P106-P148 HydrophobicContact CG-CB 3.56Å; T107-P148 WeakPolarHBondContact CG2-O 3.44Å; T107-P148 PolarHBondContact OG1-O 2.94Å; P148-G193 VanDerWaalsContact CD-CA 3.47Å |
| 149 | T | 88.3 | Confident | 92.3 | Very high | 109 Ų | 109 | 18.4 Ų | 18.4 | 67% | 0.669 | 11% | 0.112 | S | C | * | . | S | Bend | trans | -123.2 | -0.5 | -172.9 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | H147 | H147-T149 PolarHBondContact CE1-OG1 2.92Š|
| 150 | A | 89.1 | Confident | 92.6 | Very high | 15 Ų | 15 | 17.6 Ų | 17.6 | 12% | 0.124 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -138.5 | 151.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | H147 L152 F485 F870 | H147-A150 VanDerWaalsContact ND1-CB 3.3Å; H147-A150 WeakPolarHBondContact ND1-CB 3.24Å; H147-A150 PolarHBondContact ND1-N 2.89Å; H147-A150 VanDerWaalsContact ND1-N 3.16Å; A150-L152 PolarHBondContact O-N 2.79Å; A150-F485 HydrophobicContact CB-CD1 4.17Å; A150-F485 HydrophobicContact CB-CE1 3.81Å; A150-F485 HydrophobicContact CB-CZ 4.32Å; A150-F870 HydrophobicContact CB-CE1 4.09Å; A150-F870 HydrophobicContact CB-CZ 4.49Å |
| 151 | Q | 90.6 | Very high | 93 | Very high | 71 Ų | 71 | 15.5 Ų | 15.5 | 33% | 0.332 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -74.9 | 73.1 | -175.8 | -166 | 166.3 | -46.3 | 0 | 0 | 111.5 | D165 W166 | Q151-D165 WeakPolarHBondContact CG-OD1 3.37Å; Q151-D165 PolarHBondContact NE2-OD1 3.06Å; Q151-W166 HydrophobicContact CB-CH2 4.43Å; Q151-W166 HydrophobicContact CG-CD2 4.11Å; Q151-W166 HydrophobicContact CG-CE3 4.25Å; Q151-W166 HydrophobicContact CG-CH2 3.79Å; Q151-W166 HydrophobicContact CG-CZ2 3.62Å; Q151-W166 HydrophobicContact CG-CZ3 4.09Å |
| 152 | L | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -143.5 | 122.2 | -174.1 | 174.4 | 62.4 | 0 | 0 | 0 | 111.4 | H147 A150 L154 F163 F172 F189 F867 | H147-L152 HydrophobicContact CB-CB 4.04Å; H147-L152 HydrophobicContact CB-CD2 4.46Å; H147-L152 HydrophobicContact CB-CG 4.48Å; H147-L152 PolarHBondContact N-O 2.62Å; A150-L152 PolarHBondContact O-N 2.79Å; L152-L154 HydrophobicContact CD1-CD2 4.47Å; L152-L154 HydrophobicContact CD2-CD2 4.5Å; L152-F163 HydrophobicContact CD1-CB 3.86Å; L152-F163 HydrophobicContact CD1-CD1 3.97Å; L152-F163 HydrophobicContact CD1-CG 4.34Å; L152-F163 HydrophobicContact CD2-CD1 4.09Å; L152-F172 HydrophobicContact CD1-CE1 4.15Å; L152-F172 HydrophobicContact CD1-CZ 4.04Å; L152-F189 HydrophobicContact CD2-CZ 4.46Å; L152-F867 HydrophobicContact CD2-CE1 3.88Å; L152-F867 HydrophobicContact CD2-CZ 3.87Å | ||
| 153 | L | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.9 | 163.2 | -173 | 77.4 | 0 | 0 | 0 | 109.6 | A113 V121 I123 L144 F146 I155 W164 W166 | A113-L153 HydrophobicContact CB-CD1 3.59Å; A113-L153 HydrophobicContact CB-CD2 3.99Å; A113-L153 HydrophobicContact CB-CG 4.47Å; V121-L153 HydrophobicContact CG1-CD2 3.88Å; I123-L153 HydrophobicContact CD1-CD2 4.09Å; L144-L153 HydrophobicContact CB-CD1 4.47Å; L144-L153 HydrophobicContact CD2-CD2 3.96Å; L144-L153 HydrophobicContact CD2-CG 4.39Å; F146-L153 HydrophobicContact CD1-CB 4.13Å; F146-L153 HydrophobicContact CD1-CD1 3.53Å; F146-L153 HydrophobicContact CD1-CG 4.45Å; F146-L153 HydrophobicContact CD2-CD1 4.19Å; F146-L153 HydrophobicContact CE1-CB 4.32Å; F146-L153 HydrophobicContact CE1-CD1 3.79Å; F146-L153 HydrophobicContact CE2-CD1 4.43Å; F146-L153 HydrophobicContact CG-CD1 3.78Å; F146-L153 HydrophobicContact CZ-CD1 4.27Å; L153-I155 HydrophobicContact CD2-CD1 4.4Å; L153-I155 HydrophobicContact CD2-CG1 3.9Å; L153-I155 HydrophobicContact CG-CG1 4.27Å; L153-W164 HydrophobicContact CD2-CE3 3.9Å; L153-W164 HydrophobicContact CD2-CZ3 4.33Å; L153-W164 PolarHBondContact N-O 2.77Å; L153-W164 PolarHBondContact O-N 3.44Å; L153-W166 HydrophobicContact CB-CE3 4.35Å; L153-W166 HydrophobicContact CB-CZ3 4.42Å |
| 154 | L | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.8 | 165.4 | -68.5 | -173.7 | 0 | 0 | 0 | 111 | L144 A145 L152 L161 F163 V187 F189 L196 | L144-L154 WeakPolarHBondContact CA-O 3.34Å; A145-L154 PolarHBondContact N-O 2.85Å; A145-L154 VanDerWaalsContact N-O 3.17Å; A145-L154 PolarHBondContact O-N 3.33Å; L152-L154 HydrophobicContact CD1-CD2 4.47Å; L152-L154 HydrophobicContact CD2-CD2 4.5Å; L154-L161 HydrophobicContact CB-CD1 4.04Å; L154-L161 HydrophobicContact CD2-CD1 4.34Å; L154-F163 HydrophobicContact CD2-CD1 3.5Å; L154-F163 HydrophobicContact CD2-CD2 4.05Å; L154-F163 HydrophobicContact CD2-CE1 3.44Å; L154-F163 VanDerWaalsContact CD2-CE1 3.44Å; L154-F163 HydrophobicContact CD2-CE2 3.98Å; L154-F163 HydrophobicContact CD2-CG 3.79Å; L154-F163 HydrophobicContact CD2-CZ 3.67Å; L154-V187 HydrophobicContact CB-CG2 4.32Å; L154-F189 HydrophobicContact CD1-CD2 4.45Å; L154-F189 HydrophobicContact CD1-CE1 4.13Å; L154-F189 HydrophobicContact CD1-CE2 3.54Å; L154-F189 HydrophobicContact CD1-CZ 3.34Å; L154-F189 HydrophobicContact CG-CE2 3.72Å; L154-F189 HydrophobicContact CG-CZ 3.73Å; L154-L196 HydrophobicContact CD1-CD1 3.39Å; L154-L196 HydrophobicContact CD1-CD2 3.64Å; L154-L196 HydrophobicContact CD1-CG 4.15Å |
| 155 | I | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 109.9 | -179.5 | -50.4 | 163.3 | 0 | 0 | 0 | 109.6 | V121 W133 I141 L144 L153 T157 L161 H162 W164 P171 | V121-I155 HydrophobicContact CG1-CD1 4.37Å; V121-I155 HydrophobicContact CG2-CD1 4.15Å; V121-I155 HydrophobicContact CG2-CG1 4.4Å; V121-I155 HydrophobicContact CG2-CG2 3.8Å; W133-I155 HydrophobicContact CE3-CD1 3.75Å; W133-I155 HydrophobicContact CZ3-CD1 3.73Å; W133-I155 HydrophobicContact CZ3-CG2 4.31Å; I141-I155 HydrophobicContact CD1-CG2 3.97Å; I141-I155 HydrophobicContact CG2-CG2 3.9Å; L144-I155 HydrophobicContact CD2-CB 3.99Å; L144-I155 HydrophobicContact CD2-CG1 3.77Å; L144-I155 HydrophobicContact CD2-CG2 3.88Å; L153-I155 HydrophobicContact CD2-CD1 4.4Å; L153-I155 HydrophobicContact CD2-CG1 3.9Å; L153-I155 HydrophobicContact CG-CG1 4.27Å; I155-T157 HydrophobicContact CG2-CG2 4.14Å; I155-L161 WeakPolarHBondContact O-CA 3.43Å; I155-H162 HydrophobicContact CB-CB 4.17Å; I155-H162 HydrophobicContact CD1-CB 4.44Å; I155-H162 PolarHBondContact N-O 2.75Å; I155-H162 PolarHBondContact O-N 2.88Å; I155-W164 HydrophobicContact CD1-CB 3.88Å; I155-W164 HydrophobicContact CD1-CD2 4.43Å; I155-W164 HydrophobicContact CD1-CE3 4.01Å; I155-W164 HydrophobicContact CD1-CG 4.43Å; I155-P171 HydrophobicContact CD1-CG 4.41Å |
| 156 | A | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A142 S143 V184 V187 | A142-A156 HydrophobicContact CB-CB 4.39Å; A142-A156 PolarHBondContact N-O 3.02Å; S143-A156 PolarHBondContact O-N 3.03Å; S143-A156 VanDerWaalsContact O-N 3.09Å; A156-V184 HydrophobicContact CB-CB 4.27Å; A156-V184 HydrophobicContact CB-CG1 3.74Å; A156-V187 HydrophobicContact CB-CG1 4.06Å; A156-V187 HydrophobicContact CB-CG2 4.07Å |
| 157 | T | 90 | Very high | 92.7 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | trans | -104.6 | -117.6 | 177.6 | 66.1 | 0 | 0 | 0 | 0 | 110.5 | T135 I141 I155 E160 H162 | T135-T157 HydrophobicContact CG2-CG2 3.7Å; I141-T157 HydrophobicContact CD1-CG2 4.1Å; I155-T157 HydrophobicContact CG2-CG2 4.14Å; T157-E160 PolarHBondContact N-O 3.01Å; T157-E160 PolarHBondContact OG1-O 2.87Å; T157-H162 PolarHBondContact OG1-NE2 3.49Å | ||
| 158 | N | 87.1 | Confident | 92.4 | Very high | 34 Ų | 34 | 24.7 Ų | 24.7 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -90.5 | -78.9 | 175.5 | 179.9 | 73.9 | 0 | 0 | 0 | 110.6 | V139 R183 V184 | V139-N158 HydrophobicContact CG1-CB 3.65Å; N158-R183 CarbonylContact O-C 3.52Å; N158-R183 WeakPolarHBondContact O-CA 3.34Å; N158-R183 WeakPolarHBondContact O-CB 3.32Å; N158-R183 WeakPolarHBondContact OD1-CD 3.45Å; N158-R183 WeakPolarHBondContact OD1-CG 3.25Å; N158-R183 PolarHBondContact OD1-NE 2.75Å; N158-R183 VanDerWaalsContact OD1-NE 3.17Å; N158-R183 PolarHBondContact OD1-NH1 2.97Å; N158-V184 PolarHBondContact O-N 2.83Å |
| 159 | N | 90.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -106.6 | 9.4 | -178.8 | 50.8 | -42.5 | 0 | 0 | 0 | 111.8 | K176 T177 D180 | N159-K176 WeakPolarHBondContact O-CA 3.03Å; N159-T177 PolarHBondContact O-N 3.37Å; N159-T177 PolarHBondContact O-OG1 3.23Å; N159-D180 PolarHBondContact ND2-OD1 2.65Å |
| 160 | E | 93.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 14% | 0.136 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.8 | -169.2 | -45.9 | -172.9 | 161.8 | 0 | 0 | 112.4 | T157 H162 V174 V175 K176 | T157-E160 PolarHBondContact N-O 3.01Å; T157-E160 PolarHBondContact OG1-O 2.87Å; E160-H162 WeakPolarHBondContact CB-NE2 3.38Å; E160-H162 VanDerWaalsContact CD-NE2 3.27Å; E160-H162 WeakPolarHBondContact CG-NE2 3.36Å; E160-H162 IonicContact OE2-CE1 3.32Å; E160-H162 PolarHBondContact OE2-CE1 3.3Å; E160-H162 IonicContact OE2-NE2 3.85Å; E160-H162 PolarHBondContact OE2-NE2 3.15Å; E160-V174 HydrophobicContact CB-CG1 4.04Å; E160-V175 CarbonylContact C-O 3.59Å; E160-V175 WeakPolarHBondContact CA-O 3.13Å; E160-K176 HydrophobicContact CG-CD 4.08Å; E160-K176 HydrophobicContact CG-CG 4.01Å; E160-K176 WeakPolarHBondContact OE1-CD 3.36Å; E160-K176 WeakPolarHBondContact OE1-CE 3.33Å; E160-K176 IonicContact OE1-NZ 2.72Å; E160-K176 PolarHBondContact OE1-NZ 2.83Å |
| 161 | L | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 109.5 | 175.8 | 178.9 | 57.7 | 0 | 0 | 0 | 108.6 | L154 I155 F163 V174 V175 V187 L196 T198 P873 I875 | L154-L161 HydrophobicContact CB-CD1 4.04Å; L154-L161 HydrophobicContact CD2-CD1 4.34Å; I155-L161 WeakPolarHBondContact O-CA 3.43Å; L161-F163 HydrophobicContact CD2-CE2 4.05Å; L161-F163 HydrophobicContact CD2-CZ 4.23Å; L161-F163 HydrophobicContact CG-CE2 3.85Å; L161-F163 HydrophobicContact CG-CZ 4.45Å; L161-V174 WeakPolarHBondContact O-CA 3.41Å; L161-V175 PolarHBondContact N-O 2.96Å; L161-V175 PolarHBondContact O-N 3.36Å; L161-V187 HydrophobicContact CD1-CG1 3.83Å; L161-L196 HydrophobicContact CD2-CD2 4.42Å; L161-T198 HydrophobicContact CD2-CG2 4.49Å; L161-P873 HydrophobicContact CD2-CG 4.35Å; L161-I875 HydrophobicContact CB-CD1 3.87Å; L161-I875 HydrophobicContact CD2-CD1 4.43Å |
| 162 | H | 95.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 141.6 | -178.5 | -52.8 | -108.7 | 0 | 0 | 0 | 110.2 | W133 I155 T157 E160 P171 V174 | W133-H162 HydrophobicContact CH2-CB 4.48Å; W133-H162 AromaticContact CH2-CG 3.96Å; W133-H162 AromaticContact CH2-ND1 3.71Å; I155-H162 HydrophobicContact CB-CB 4.17Å; I155-H162 HydrophobicContact CD1-CB 4.44Å; I155-H162 PolarHBondContact N-O 2.75Å; I155-H162 PolarHBondContact O-N 2.88Å; T157-H162 PolarHBondContact OG1-NE2 3.49Å; E160-H162 WeakPolarHBondContact CB-NE2 3.38Å; E160-H162 VanDerWaalsContact CD-NE2 3.27Å; E160-H162 WeakPolarHBondContact CG-NE2 3.36Å; E160-H162 IonicContact OE2-CE1 3.32Å; E160-H162 PolarHBondContact OE2-CE1 3.3Å; E160-H162 IonicContact OE2-NE2 3.85Å; E160-H162 PolarHBondContact OE2-NE2 3.15Å; H162-P171 HydrophobicContact CB-CB 3.92Å; H162-P171 HydrophobicContact CB-CG 3.95Å; H162-V174 HydrophobicContact CB-CG2 4.48Å; H162-V174 WeakPolarHBondContact ND1-CG2 3.29Å |
| 163 | F | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 107.6 | -179.2 | -71.5 | -113.8 | 0 | 0 | 0 | 108.1 | L152 L154 L161 P171 F172 A173 V175 L481 F867 L872 P873 | L152-F163 HydrophobicContact CD1-CB 3.86Å; L152-F163 HydrophobicContact CD1-CD1 3.97Å; L152-F163 HydrophobicContact CD1-CG 4.34Å; L152-F163 HydrophobicContact CD2-CD1 4.09Å; L154-F163 HydrophobicContact CD2-CD1 3.5Å; L154-F163 HydrophobicContact CD2-CD2 4.05Å; L154-F163 HydrophobicContact CD2-CE1 3.44Å; L154-F163 VanDerWaalsContact CD2-CE1 3.44Å; L154-F163 HydrophobicContact CD2-CE2 3.98Å; L154-F163 HydrophobicContact CD2-CG 3.79Å; L154-F163 HydrophobicContact CD2-CZ 3.67Å; L161-F163 HydrophobicContact CD2-CE2 4.05Å; L161-F163 HydrophobicContact CD2-CZ 4.23Å; L161-F163 HydrophobicContact CG-CE2 3.85Å; L161-F163 HydrophobicContact CG-CZ 4.45Å; F163-P171 CarbonylContact O-C 3.58Å; F163-P171 WeakPolarHBondContact O-CA 3.24Å; F163-P171 WeakPolarHBondContact O-CB 3.28Å; F163-F172 HydrophobicContact CB-CE1 4.44Å; F163-F172 HydrophobicContact CB-CE2 4.11Å; F163-F172 HydrophobicContact CB-CZ 3.98Å; F163-F172 WeakPolarHBondContact O-CD1 3.31Å; F163-F172 PolarHBondContact O-N 3.36Å; F163-A173 HydrophobicContact CB-CB 4.14Å; F163-A173 PolarHBondContact N-O 2.8Å; F163-V175 HydrophobicContact CE2-CG2 3.78Å; F163-V175 HydrophobicContact CZ-CG2 4.45Å; F163-L481 HydrophobicContact CD1-CD1 4.04Å; F163-L481 HydrophobicContact CE1-CD1 4.42Å; F163-F867 AromaticContact CE1-CE2 3.97Å; F163-F867 HydrophobicContact CE1-CE2 3.97Å; F163-F867 AromaticContact CE1-CZ 3.95Å; F163-F867 HydrophobicContact CE1-CZ 3.95Å; F163-L872 HydrophobicContact CD1-CD2 3.95Å; F163-L872 HydrophobicContact CD2-CD2 4.14Å; F163-L872 HydrophobicContact CE1-CD2 3.63Å; F163-L872 HydrophobicContact CE2-CD2 3.86Å; F163-L872 HydrophobicContact CG-CD2 4.22Å; F163-L872 HydrophobicContact CZ-CD2 3.62Å; F163-P873 HydrophobicContact CZ-CG 4.23Å |
| 164 | W | 95.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.011 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.9 | -173 | -172.8 | 33.4 | 0 | 0 | 0 | 112.2 | V121 I123 W133 L153 I155 W166 R168 E170 P171 | V121-W164 HydrophobicContact CB-CZ3 4.41Å; V121-W164 HydrophobicContact CG1-CE3 4.25Å; V121-W164 HydrophobicContact CG1-CZ3 3.82Å; I123-W164 HydrophobicContact CD1-CE3 4.49Å; I123-W164 HydrophobicContact CD1-CZ3 3.9Å; I123-W164 HydrophobicContact CG1-CH2 3.76Å; I123-W164 HydrophobicContact CG1-CZ3 3.62Å; W133-W164 HydrophobicContact CB-CH2 3.98Å; W133-W164 HydrophobicContact CB-CZ2 3.85Å; W133-W164 HydrophobicContact CB-CZ3 4.41Å; L153-W164 HydrophobicContact CD2-CE3 3.9Å; L153-W164 HydrophobicContact CD2-CZ3 4.33Å; L153-W164 PolarHBondContact N-O 2.77Å; L153-W164 PolarHBondContact O-N 3.44Å; I155-W164 HydrophobicContact CD1-CB 3.88Å; I155-W164 HydrophobicContact CD1-CD2 4.43Å; I155-W164 HydrophobicContact CD1-CE3 4.01Å; I155-W164 HydrophobicContact CD1-CG 4.43Å; W164-W166 HydrophobicContact CD2-CB 4.42Å; W164-W166 HydrophobicContact CH2-CB 4.28Å; W164-W166 HydrophobicContact CZ2-CB 4.05Å; W164-R168 PolarHBondContact NE1-O 2.83Å; W164-E170 VanDerWaalsContact CD1-C 3.44Å; W164-P171 HydrophobicContact CB-CB 4.19Å; W164-P171 HydrophobicContact CB-CG 4.11Å; W164-P171 HydrophobicContact CG-CG 4.29Å |
| 165 | D | 92.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | trans | -90 | 117.7 | 157.4 | 161 | 23.5 | 0 | 0 | 0 | 107.7 | Q151 S167 R168 F172 Y484 | Q151-D165 WeakPolarHBondContact CG-OD1 3.37Å; Q151-D165 PolarHBondContact NE2-OD1 3.06Å; D165-S167 PolarHBondContact O-N 2.85Å; D165-S167 WeakPolarHBondContact OD1-CB 3.07Å; D165-S167 PolarHBondContact OD1-N 2.89Å; D165-S167 PolarHBondContact OD1-OG 2.96Å; D165-S167 PolarHBondContact OD2-OG 2.98Å; D165-R168 WeakPolarHBondContact O-CB 3.44Å; D165-R168 PolarHBondContact O-N 2.97Å; D165-R168 IonicContact OD2-NE 3.85Å; D165-F172 HydrophobicContact CB-CD1 4.01Å; D165-F172 HydrophobicContact CB-CE1 3.92Å; D165-Y484 WeakPolarHBondContact CB-OH 3.3Å; D165-Y484 VanDerWaalsContact CG-OH 3.22Å; D165-Y484 PolarHBondContact OD2-OH 2.99Å | ||
| 166 | W | 90.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 40 Ų | 40 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 5.3 | -177.2 | 61.5 | 85.3 | 0 | 0 | 0 | 114.5 | H105 L111 I123 F146 Q151 L153 W164 W582 | H105-W166 AromaticContact CD2-CH2 3.69Å; H105-W166 AromaticContact NE2-CH2 3.53Å; L111-W166 HydrophobicContact CD2-CH2 4.39Å; L111-W166 HydrophobicContact CD2-CZ2 3.6Å; I123-W166 HydrophobicContact CD1-CB 4.47Å; I123-W166 HydrophobicContact CG1-CB 3.79Å; I123-W166 HydrophobicContact CG1-CG 4.09Å; F146-W166 HydrophobicContact CD1-CE3 4.39Å; F146-W166 AromaticContact CD1-CH2 3.8Å; F146-W166 HydrophobicContact CD1-CH2 3.8Å; F146-W166 AromaticContact CD1-CZ3 3.57Å; F146-W166 HydrophobicContact CD1-CZ3 3.57Å; F146-W166 AromaticContact CE1-CE3 3.92Å; F146-W166 HydrophobicContact CE1-CE3 3.92Å; F146-W166 AromaticContact CE1-CH2 3.69Å; F146-W166 HydrophobicContact CE1-CH2 3.69Å; F146-W166 HydrophobicContact CE1-CZ2 4.31Å; F146-W166 AromaticContact CE1-CZ3 3.47Å; F146-W166 HydrophobicContact CE1-CZ3 3.47Å; F146-W166 VanDerWaalsContact CE1-CZ3 3.47Å; Q151-W166 HydrophobicContact CB-CH2 4.43Å; Q151-W166 HydrophobicContact CG-CD2 4.11Å; Q151-W166 HydrophobicContact CG-CE3 4.25Å; Q151-W166 HydrophobicContact CG-CH2 3.79Å; Q151-W166 HydrophobicContact CG-CZ2 3.62Å; Q151-W166 HydrophobicContact CG-CZ3 4.09Å; L153-W166 HydrophobicContact CB-CE3 4.35Å; L153-W166 HydrophobicContact CB-CZ3 4.42Å; W164-W166 HydrophobicContact CD2-CB 4.42Å; W164-W166 HydrophobicContact CH2-CB 4.28Å; W164-W166 HydrophobicContact CZ2-CB 4.05Å; W166-W582 AromaticContact NE1-CH2 3.86Å; W166-W582 AromaticContact NE1-CZ2 3.84Å |
| 167 | S | 88.8 | Confident | 92 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.4 | 158.1 | 82.3 | 0 | 0 | 0 | 0 | 112.1 | D165 | D165-S167 PolarHBondContact O-N 2.85Å; D165-S167 WeakPolarHBondContact OD1-CB 3.07Å; D165-S167 PolarHBondContact OD1-N 2.89Å; D165-S167 PolarHBondContact OD1-OG 2.96Å; D165-S167 PolarHBondContact OD2-OG 2.98Å |
| 168 | R | 88.3 | Confident | 91.7 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -108.1 | 147.7 | -176.3 | -52.7 | -177.2 | 178.1 | -140.7 | -10.5 | 110.2 | W164 D165 E170 | W164-R168 PolarHBondContact NE1-O 2.83Å; D165-R168 WeakPolarHBondContact O-CB 3.44Å; D165-R168 PolarHBondContact O-N 2.97Å; D165-R168 IonicContact OD2-NE 3.85Å; R168-E170 PolarHBondContact O-N 2.91Å |
| 169 | P | 87.6 | Confident | 91.7 | Very high | 108 Ų | 108 | 43.8 Ų | 43.8 | 70% | 0.701 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -68.5 | -13.7 | 177.8 | 29.5 | -36.4 | 0 | 0 | 0 | 113.7 | W133 | W133-P169 VanDerWaalsContact CD1-O 3.27Š|
| 170 | E | 88.9 | Confident | 91.4 | Very high | 127 Ų | 127 | 48 Ų | 48 | 59% | 0.593 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -145.2 | 155.7 | -174 | 66 | -170.3 | 177.9 | 0 | 0 | 112.9 | W164 R168 | W164-E170 VanDerWaalsContact CD1-C 3.44Å; R168-E170 PolarHBondContact O-N 2.91Å |
| 171 | P | 93.2 | Very high | 90.8 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 13% | 0.13 | 29% | 0.286 | C | S | . | . | trans | -59.8 | 137.5 | 172 | -22.3 | 32.3 | 0 | 0 | 0 | 112.7 | W133 I155 H162 F163 W164 | W133-P171 HydrophobicContact CD2-CG 3.89Å; W133-P171 HydrophobicContact CE3-CG 4.12Å; W133-P171 HydrophobicContact CH2-CG 3.81Å; W133-P171 HydrophobicContact CZ2-CG 3.6Å; W133-P171 HydrophobicContact CZ3-CG 4.09Å; W133-P171 VanDerWaalsContact NE1-CD 3.27Å; I155-P171 HydrophobicContact CD1-CG 4.41Å; H162-P171 HydrophobicContact CB-CB 3.92Å; H162-P171 HydrophobicContact CB-CG 3.95Å; F163-P171 CarbonylContact O-C 3.58Å; F163-P171 WeakPolarHBondContact O-CA 3.24Å; F163-P171 WeakPolarHBondContact O-CB 3.28Å; W164-P171 HydrophobicContact CB-CB 4.19Å; W164-P171 HydrophobicContact CB-CG 4.11Å; W164-P171 HydrophobicContact CG-CG 4.29Å | ||
| 172 | F | 92.3 | Very high | 90.4 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -90.9 | -15 | -176.8 | 64 | -100.5 | 0 | 0 | 0 | 113.7 | L152 F163 D165 L481 Y484 | L152-F172 HydrophobicContact CD1-CE1 4.15Å; L152-F172 HydrophobicContact CD1-CZ 4.04Å; F163-F172 HydrophobicContact CB-CE1 4.44Å; F163-F172 HydrophobicContact CB-CE2 4.11Å; F163-F172 HydrophobicContact CB-CZ 3.98Å; F163-F172 WeakPolarHBondContact O-CD1 3.31Å; F163-F172 PolarHBondContact O-N 3.36Å; D165-F172 HydrophobicContact CB-CD1 4.01Å; D165-F172 HydrophobicContact CB-CE1 3.92Å; F172-L481 HydrophobicContact CE2-CD1 3.96Å; F172-L481 HydrophobicContact CE2-CD2 3.93Å; F172-L481 HydrophobicContact CZ-CD1 4.28Å; F172-Y484 HydrophobicContact CE1-CE1 4.09Å; F172-Y484 AromaticContact CE1-CZ 3.98Å; F172-Y484 HydrophobicContact CZ-CD1 4.45Å; F172-Y484 HydrophobicContact CZ-CE1 4.05Å |
| 173 | A | 92.8 | Very high | 90.1 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 152.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F163 L872 | F163-A173 HydrophobicContact CB-CB 4.14Å; F163-A173 PolarHBondContact N-O 2.8Å; A173-L872 HydrophobicContact CB-CD1 4.49Å |
| 174 | V | 93.6 | Very high | 89.8 | Confident | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.37 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137 | 178.4 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | E160 L161 H162 | E160-V174 HydrophobicContact CB-CG1 4.04Å; L161-V174 WeakPolarHBondContact O-CA 3.41Å; H162-V174 HydrophobicContact CB-CG2 4.48Å; H162-V174 WeakPolarHBondContact ND1-CG2 3.29Å |
| 175 | V | 94.8 | Very high | 89.6 | Confident | 21 Ų | 21 | 58.2 Ų | 58.2 | 13% | 0.127 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.7 | 170.2 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | E160 L161 F163 L872 P873 I875 | E160-V175 CarbonylContact C-O 3.59Å; E160-V175 WeakPolarHBondContact CA-O 3.13Å; L161-V175 PolarHBondContact N-O 2.96Å; L161-V175 PolarHBondContact O-N 3.36Å; F163-V175 HydrophobicContact CE2-CG2 3.78Å; F163-V175 HydrophobicContact CZ-CG2 4.45Å; V175-L872 HydrophobicContact CG2-CB 4.05Å; V175-L872 HydrophobicContact CG2-CD1 4.06Å; V175-L872 HydrophobicContact CG2-CD2 4.11Å; V175-L872 HydrophobicContact CG2-CG 4.3Å; V175-P873 WeakPolarHBondContact CG1-O 3.24Å; V175-I875 HydrophobicContact CB-CD1 4.25Å; V175-I875 HydrophobicContact CB-CG1 4.32Å; V175-I875 HydrophobicContact CG1-CD1 4.18Å; V175-I875 HydrophobicContact CG1-CG1 3.71Å |
| 176 | K | 93.6 | Very high | 89.6 | Confident | 116 Ų | 116 | 58 Ų | 58 | 50% | 0.504 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 152.1 | -178.5 | -47.8 | -162.6 | -175.4 | -156.5 | 0 | 111.1 | N159 E160 | N159-K176 WeakPolarHBondContact O-CA 3.03Å; E160-K176 HydrophobicContact CG-CD 4.08Å; E160-K176 HydrophobicContact CG-CG 4.01Å; E160-K176 WeakPolarHBondContact OE1-CD 3.36Å; E160-K176 WeakPolarHBondContact OE1-CE 3.33Å; E160-K176 IonicContact OE1-NZ 2.72Å; E160-K176 PolarHBondContact OE1-NZ 2.83Å |
| 177 | T | 92.3 | Very high | 89.9 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 8% | 0.08 | 31% | 0.311 | C | S | . | . | trans | -75.6 | 172.8 | 172.9 | 57.1 | 0 | 0 | 0 | 0 | 111.4 | N159 S179 E182 V184 I200 I875 | N159-T177 PolarHBondContact O-N 3.37Å; N159-T177 PolarHBondContact O-OG1 3.23Å; T177-S179 PolarHBondContact O-N 2.93Å; T177-S179 PolarHBondContact OG1-O 3.17Å; T177-E182 WeakPolarHBondContact CB-O 3.41Å; T177-E182 WeakPolarHBondContact CG2-O 3.37Å; T177-E182 PolarHBondContact OG1-O 2.92Å; T177-V184 HydrophobicContact CG2-CG2 3.69Å; T177-I200 HydrophobicContact CG2-CD1 3.93Å; T177-I200 HydrophobicContact CG2-CG2 4.03Å; T177-I875 HydrophobicContact CG2-CD1 4.02Å; T177-I875 HydrophobicContact CG2-CG1 4.29Å | ||
| 178 | G | 84.4 | Confident | 90.2 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -74.1 | -9.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 179 | S | 85.6 | Confident | 90.5 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -162.9 | 147.9 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | T177 T181 E182 | T177-S179 PolarHBondContact O-N 2.93Å; T177-S179 PolarHBondContact OG1-O 3.17Å; S179-T181 PolarHBondContact O-N 2.63Å; S179-T181 PolarHBondContact OG-N 3.22Å; S179-T181 PolarHBondContact OG-OG1 2.75Å; S179-E182 WeakPolarHBondContact O-CB 3.26Å; S179-E182 PolarHBondContact O-N 2.85Å |
| 180 | D | 83.8 | Confident | 90.8 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 60% | 0.599 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.2 | 178.4 | -55.9 | -23.7 | 0 | 0 | 0 | 113.7 | N159 | N159-D180 PolarHBondContact ND2-OD1 2.65Š|
| 181 | T | 82.1 | Confident | 90.9 | Very high | 86 Ų | 86 | 44.4 Ų | 44.4 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -24.7 | 171.2 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | S179 R183 | S179-T181 PolarHBondContact O-N 2.63Å; S179-T181 PolarHBondContact OG-N 3.22Å; S179-T181 PolarHBondContact OG-OG1 2.75Å; T181-R183 PolarHBondContact O-N 2.83Å; T181-R183 VanDerWaalsContact O-N 3.14Å |
| 182 | E | 86.9 | Confident | 90.7 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -84.8 | 82.8 | 179.5 | -64 | -157.1 | 138.3 | 0 | 0 | 110.9 | T177 S179 I200 P203 R861 | T177-E182 WeakPolarHBondContact CB-O 3.41Å; T177-E182 WeakPolarHBondContact CG2-O 3.37Å; T177-E182 PolarHBondContact OG1-O 2.92Å; S179-E182 WeakPolarHBondContact O-CB 3.26Å; S179-E182 PolarHBondContact O-N 2.85Å; E182-I200 HydrophobicContact CB-CG2 3.9Å; E182-P203 WeakPolarHBondContact OE1-CD 3.39Å; E182-R861 VanDerWaalsContact CD-NH1 3.29Å; E182-R861 VanDerWaalsContact CD-NH2 3.33Å; E182-R861 IonicContact OE1-CZ 3.53Å; E182-R861 IonicContact OE1-NH1 3.87Å; E182-R861 PolarHBondContact OE1-NH1 2.96Å; E182-R861 IonicContact OE1-NH2 3.78Å; E182-R861 PolarHBondContact OE1-NH2 3.49Å; E182-R861 IonicContact OE2-CZ 3.66Å; E182-R861 IonicContact OE2-NH1 2.83Å; E182-R861 IonicContact OE2-NH2 2.7Å; E182-R861 PolarHBondContact OE2-NH2 3.28Å |
| 183 | R | 88.1 | Confident | 90.7 | Very high | 137 Ų | 137 | 45.8 Ų | 45.8 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | trans | -83.5 | 133.9 | -173.8 | -56.3 | 176.9 | -177.4 | -140.2 | 1.6 | 112.8 | N158 T181 I200 V201 | N158-R183 CarbonylContact O-C 3.52Å; N158-R183 WeakPolarHBondContact O-CA 3.34Å; N158-R183 WeakPolarHBondContact O-CB 3.32Å; N158-R183 WeakPolarHBondContact OD1-CD 3.45Å; N158-R183 WeakPolarHBondContact OD1-CG 3.25Å; N158-R183 PolarHBondContact OD1-NE 2.75Å; N158-R183 VanDerWaalsContact OD1-NE 3.17Å; N158-R183 PolarHBondContact OD1-NH1 2.97Å; T181-R183 PolarHBondContact O-N 2.83Å; T181-R183 VanDerWaalsContact O-N 3.14Å; R183-I200 CarbonylContact O-C 3.46Å; R183-I200 WeakPolarHBondContact O-CA 3.23Å; R183-V201 HydrophobicContact CB-CB 4.49Å; R183-V201 HydrophobicContact CB-CG2 3.88Å; R183-V201 PolarHBondContact O-N 2.89Å | ||
| 184 | V | 90.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.2 | 173.6 | -170.9 | 0 | 0 | 0 | 0 | 109 | A142 A156 N158 T177 V187 A199 I200 I875 | A142-V184 WeakPolarHBondContact CB-O 3.39Å; A156-V184 HydrophobicContact CB-CB 4.27Å; A156-V184 HydrophobicContact CB-CG1 3.74Å; N158-V184 PolarHBondContact O-N 2.83Å; T177-V184 HydrophobicContact CG2-CG2 3.69Å; V184-V187 HydrophobicContact CG1-CG1 4.17Å; V184-A199 CarbonylContact C-O 3.46Å; V184-A199 WeakPolarHBondContact CA-O 3.46Å; V184-I200 HydrophobicContact CG2-CG1 4.44Å; V184-I875 HydrophobicContact CG2-CD1 4.35Å |
| 185 | R | 90.5 | Very high | 90.7 | Very high | 29 Ų | 29 | 48 Ų | 48 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -29.1 | -176.7 | -177.8 | 63.9 | -158.7 | 101.1 | -15.2 | 114 | A142 A199 Y860 I889 Y890 | A142-R185 PolarHBondContact O-NH1 2.89Å; R185-A199 PolarHBondContact N-O 2.82Å; R185-Y860 HydrophobicContact CB-CD1 3.73Å; R185-Y860 HydrophobicContact CB-CE1 3.39Å; R185-Y860 HydrophobicContact CG-CD1 4.3Å; R185-Y860 HydrophobicContact CG-CE1 3.69Å; R185-I889 HydrophobicContact CG-CB 4.12Å; R185-I889 HydrophobicContact CG-CG2 3.69Å; R185-Y890 PolarHBondContact NE-O 2.81Å; R185-Y890 PolarHBondContact NH2-O 2.83Å |
| 186 | L | 92.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 139.6 | -174.8 | -176.6 | 73.3 | 0 | 0 | 0 | 109.9 | R188 L197 T198 A199 I889 D892 C895 | L186-R188 HydrophobicContact CD1-CG 4.45Å; L186-R188 HydrophobicContact CG-CG 4.46Å; L186-L197 HydrophobicContact CD2-CD2 4.47Å; L186-T198 WeakPolarHBondContact O-CA 3.3Å; L186-A199 HydrophobicContact CB-CB 3.6Å; L186-A199 PolarHBondContact O-N 2.76Å; L186-I889 HydrophobicContact CB-CG2 4.44Å; L186-D892 HydrophobicContact CD1-CB 4.15Å; L186-C895 HydrophobicContact CD2-CB 3.63Å |
| 187 | V | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.1 | 163.7 | -70.7 | 0 | 0 | 0 | 0 | 110.4 | S143 A145 L154 A156 L161 V184 L197 T198 | S143-V187 PolarHBondContact OG-N 2.84Å; S143-V187 VanDerWaalsContact OG-N 3.14Å; S143-V187 PolarHBondContact OG-O 3.04Å; A145-V187 HydrophobicContact CB-CG2 4.16Å; L154-V187 HydrophobicContact CB-CG2 4.32Å; A156-V187 HydrophobicContact CB-CG1 4.06Å; A156-V187 HydrophobicContact CB-CG2 4.07Å; L161-V187 HydrophobicContact CD1-CG1 3.83Å; V184-V187 HydrophobicContact CG1-CG1 4.17Å; V187-L197 WeakPolarHBondContact CA-O 3.4Å; V187-T198 HydrophobicContact CG1-CG2 4.3Å |
| 188 | R | 95.8 | Very high | 91 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 18% | 0.177 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 132.1 | 174 | -74.6 | -69.3 | 147.9 | -170 | -11.7 | 109.8 | L144 L186 L197 D892 I897 | L144-R188 PolarHBondContact O-NH2 3.1Å; L186-R188 HydrophobicContact CD1-CG 4.45Å; L186-R188 HydrophobicContact CG-CG 4.46Å; R188-L197 HydrophobicContact CB-CB 4.42Å; R188-L197 PolarHBondContact N-O 3.24Å; R188-L197 WeakPolarHBondContact O-CB 3.35Å; R188-L197 PolarHBondContact O-N 2.89Å; R188-D892 IonicContact CZ-OD2 2.74Å; R188-D892 IonicContact NE-OD2 2.73Å; R188-D892 IonicContact NH2-OD2 2.64Å; R188-D892 PolarHBondContact NH2-OD2 2.85Å; R188-I897 HydrophobicContact CB-CD1 4.24Å |
| 189 | F | 95.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 159.6 | 161.2 | -70.7 | -76.2 | 0 | 0 | 0 | 110.6 | A145 F146 H147 L152 L154 N195 L196 F867 | A145-F189 HydrophobicContact CB-CD2 4.06Å; A145-F189 HydrophobicContact CB-CE2 4.47Å; F146-F189 VanDerWaalsContact O-CD2 3.28Å; F146-F189 WeakPolarHBondContact O-CD2 3.17Å; H147-F189 HydrophobicContact CB-CD2 4.3Å; H147-F189 HydrophobicContact CB-CE2 3.83Å; H147-F189 HydrophobicContact CB-CZ 4.03Å; H147-F189 AromaticContact CD2-CD1 3.92Å; H147-F189 AromaticContact CD2-CE1 3.69Å; H147-F189 AromaticContact CD2-CZ 3.87Å; L152-F189 HydrophobicContact CD2-CZ 4.46Å; L154-F189 HydrophobicContact CD1-CD2 4.45Å; L154-F189 HydrophobicContact CD1-CE1 4.13Å; L154-F189 HydrophobicContact CD1-CE2 3.54Å; L154-F189 HydrophobicContact CD1-CZ 3.34Å; L154-F189 HydrophobicContact CG-CE2 3.72Å; L154-F189 HydrophobicContact CG-CZ 3.73Å; F189-N195 CarbonylContact C-O 3.53Å; F189-N195 WeakPolarHBondContact CA-O 3.43Å; F189-L196 HydrophobicContact CD1-CB 4.15Å; F189-L196 HydrophobicContact CD1-CD1 4.25Å; F189-L196 HydrophobicContact CE1-CB 4.09Å; F189-L196 HydrophobicContact CE1-CD1 4.18Å; F189-L196 HydrophobicContact CZ-CD1 4.47Å; F189-F867 AromaticContact CE1-CD1 3.62Å; F189-F867 HydrophobicContact CE1-CD1 3.62Å; F189-F867 AromaticContact CE1-CE1 3.95Å; F189-F867 HydrophobicContact CE1-CE1 3.95Å; F189-F867 HydrophobicContact CE1-CG 4.19Å; F189-F867 HydrophobicContact CZ-CD1 4.29Å; F189-F867 HydrophobicContact CZ-CE1 4.15Å |
| 190 | D | 92.9 | Very high | 91.8 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 9% | 0.086 | 18% | 0.178 | C | C | . | . | trans | -69 | 167.5 | 160.6 | 74.8 | -0.7 | 0 | 0 | 0 | 111.2 | L192 G193 H194 N195 W864 | D190-L192 PolarHBondContact O-N 3.36Å; D190-L192 PolarHBondContact OD1-N 3.21Å; D190-G193 PolarHBondContact O-N 3.47Å; D190-G193 WeakPolarHBondContact OD1-CA 3.09Å; D190-G193 PolarHBondContact OD1-N 3Å; D190-H194 PolarHBondContact OD1-N 2.8Å; D190-N195 HydrophobicContact CB-CB 4.29Å; D190-N195 PolarHBondContact N-O 2.84Å; D190-N195 PolarHBondContact OD1-N 2.81Å; D190-N195 PolarHBondContact OD2-N 3.47Å; D190-N195 PolarHBondContact OD2-ND2 2.85Å; D190-W864 HydrophobicContact CB-CH2 3.97Å | ||
| 191 | P | 90.2 | Very high | 92.1 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 40% | 0.403 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -3.9 | -178.1 | -24.9 | 35.8 | 0 | 0 | 0 | 115.9 | ||
| 192 | L | 90.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 29 Ų | 29 | 54% | 0.539 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -12 | -177.4 | -60.8 | 178 | 0 | 0 | 0 | 113.4 | D190 H194 | D190-L192 PolarHBondContact O-N 3.36Å; D190-L192 PolarHBondContact OD1-N 3.21Å; L192-H194 PolarHBondContact O-N 2.96Å |
| 193 | G | 91.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 83.1 | -5.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | H147 P148 D190 N195 | H147-G193 WeakPolarHBondContact NE2-CA 3.37Å; H147-G193 PolarHBondContact NE2-O 2.83Å; P148-G193 VanDerWaalsContact CD-CA 3.47Å; D190-G193 PolarHBondContact O-N 3.47Å; D190-G193 WeakPolarHBondContact OD1-CA 3.09Å; D190-G193 PolarHBondContact OD1-N 3Å; G193-N195 VanDerWaalsContact C-N 3.27Å; G193-N195 PolarHBondContact O-N 3.12Å |
| 194 | H | 92.1 | Very high | 90.1 | Very high | 89 Ų | 89 | 28.8 Ų | 28.8 | 41% | 0.412 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -69.1 | -26.1 | -175.3 | -61.9 | -12.3 | 0 | 0 | 0 | 112.8 | D190 L192 F867 T868 | D190-H194 PolarHBondContact OD1-N 2.8Å; L192-H194 PolarHBondContact O-N 2.96Å; H194-F867 PolarHBondContact O-N 3.24Å; H194-T868 HydrophobicContact CB-CG2 3.67Å; H194-T868 PolarHBondContact O-N 2.34Å |
| 195 | N | 94.1 | Very high | 87.9 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 20% | 0.198 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 146.9 | -177.9 | -58 | -97.6 | 0 | 0 | 0 | 112.2 | F189 D190 G193 W864 W865 | F189-N195 CarbonylContact C-O 3.53Å; F189-N195 WeakPolarHBondContact CA-O 3.43Å; D190-N195 HydrophobicContact CB-CB 4.29Å; D190-N195 PolarHBondContact N-O 2.84Å; D190-N195 PolarHBondContact OD1-N 2.81Å; D190-N195 PolarHBondContact OD2-N 3.47Å; D190-N195 PolarHBondContact OD2-ND2 2.85Å; G193-N195 VanDerWaalsContact C-N 3.27Å; G193-N195 PolarHBondContact O-N 3.12Å; N195-W864 HydrophobicContact CB-CD2 4.21Å; N195-W864 VanDerWaalsContact CB-CE2 3.41Å; N195-W864 HydrophobicContact CB-CH2 3.77Å; N195-W864 HydrophobicContact CB-CZ2 3.18Å; N195-W864 HydrophobicContact CB-CZ3 4.46Å; N195-W864 VanDerWaalsContact CG-CZ2 3.45Å; N195-W864 PolarHBondContact OD1-NE1 2.99Å; N195-W865 CarbonylContact C-O 3.13Å; N195-W865 VanDerWaalsContact CA-O 3.23Å; N195-W865 WeakPolarHBondContact CA-O 3.48Å |
| 196 | L | 95.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.9 | 177.3 | 172.2 | 61.9 | 0 | 0 | 0 | 110.9 | L154 L161 F189 T198 W865 P873 | L154-L196 HydrophobicContact CD1-CD1 3.39Å; L154-L196 HydrophobicContact CD1-CD2 3.64Å; L154-L196 HydrophobicContact CD1-CG 4.15Å; L161-L196 HydrophobicContact CD2-CD2 4.42Å; F189-L196 HydrophobicContact CD1-CB 4.15Å; F189-L196 HydrophobicContact CD1-CD1 4.25Å; F189-L196 HydrophobicContact CE1-CB 4.09Å; F189-L196 HydrophobicContact CE1-CD1 4.18Å; F189-L196 HydrophobicContact CZ-CD1 4.47Å; L196-T198 HydrophobicContact CD1-CG2 4.43Å; L196-T198 HydrophobicContact CD2-CG2 4.11Å; L196-T198 HydrophobicContact CG-CG2 3.97Å; L196-W865 HydrophobicContact CB-CB 4.35Å; L196-W865 PolarHBondContact N-O 2.94Å; L196-W865 PolarHBondContact O-N 3.46Å; L196-P873 HydrophobicContact CD2-CG 4.06Å |
| 197 | L | 96.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.9 | 169.8 | -175.1 | 76.2 | 0 | 0 | 0 | 110.1 | L186 V187 R188 L862 Q863 W864 L883 I897 L904 | L186-L197 HydrophobicContact CD2-CD2 4.47Å; V187-L197 WeakPolarHBondContact CA-O 3.4Å; R188-L197 HydrophobicContact CB-CB 4.42Å; R188-L197 PolarHBondContact N-O 3.24Å; R188-L197 WeakPolarHBondContact O-CB 3.35Å; R188-L197 PolarHBondContact O-N 2.89Å; L197-L862 HydrophobicContact CD1-CB 4.06Å; L197-L862 HydrophobicContact CD1-CD1 4.27Å; L197-Q863 WeakPolarHBondContact CA-O 3.2Å; L197-W864 HydrophobicContact CB-CE3 3.99Å; L197-W864 HydrophobicContact CB-CZ3 4.05Å; L197-W864 HydrophobicContact CD1-CE3 3.81Å; L197-W864 HydrophobicContact CD1-CZ3 4.35Å; L197-L883 HydrophobicContact CD1-CD2 4.42Å; L197-I897 HydrophobicContact CD2-CD1 4.29Å; L197-L904 HydrophobicContact CD1-CD2 4.29Å; L197-L904 HydrophobicContact CD2-CD1 3.77Å |
| 198 | T | 96.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.5 | 173.1 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | L161 L186 V187 L196 L862 Q863 W865 I875 | L161-T198 HydrophobicContact CD2-CG2 4.49Å; L186-T198 WeakPolarHBondContact O-CA 3.3Å; V187-T198 HydrophobicContact CG1-CG2 4.3Å; L196-T198 HydrophobicContact CD1-CG2 4.43Å; L196-T198 HydrophobicContact CD2-CG2 4.11Å; L196-T198 HydrophobicContact CG-CG2 3.97Å; T198-L862 WeakPolarHBondContact O-CA 3.4Å; T198-Q863 PolarHBondContact N-O 2.89Å; T198-Q863 PolarHBondContact O-N 3.2Å; T198-W865 PolarHBondContact OG1-NE1 2.94Å; T198-I875 HydrophobicContact CG2-CG2 4.19Å |
| 199 | A | 93.9 | Very high | 76.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | V184 R185 L186 R861 L862 I889 | V184-A199 CarbonylContact C-O 3.46Å; V184-A199 WeakPolarHBondContact CA-O 3.46Å; R185-A199 PolarHBondContact N-O 2.82Å; L186-A199 HydrophobicContact CB-CB 3.6Å; L186-A199 PolarHBondContact O-N 2.76Å; A199-R861 CarbonylContact C-O 3.56Å; A199-R861 VanDerWaalsContact CA-O 3.31Å; A199-R861 WeakPolarHBondContact CA-O 3.27Å; A199-L862 HydrophobicContact CB-CD2 3.4Å; A199-L862 VanDerWaalsContact CB-CD2 3.4Å; A199-I889 HydrophobicContact CB-CG1 4.22Å |
| 200 | I | 93.1 | Very high | 73.7 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.4 | -176.6 | -47.6 | -173.7 | 0 | 0 | 0 | 109.7 | T177 E182 R183 V184 N202 Y860 R861 I875 | T177-I200 HydrophobicContact CG2-CD1 3.93Å; T177-I200 HydrophobicContact CG2-CG2 4.03Å; E182-I200 HydrophobicContact CB-CG2 3.9Å; R183-I200 CarbonylContact O-C 3.46Å; R183-I200 WeakPolarHBondContact O-CA 3.23Å; V184-I200 HydrophobicContact CG2-CG1 4.44Å; I200-N202 PolarHBondContact O-N 2.88Å; I200-Y860 CarbonylContact O-C 3.48Å; I200-Y860 WeakPolarHBondContact O-CA 3.18Å; I200-Y860 WeakPolarHBondContact O-CB 3.43Å; I200-R861 HydrophobicContact CB-CG 4.11Å; I200-R861 PolarHBondContact N-O 3.37Å; I200-R861 WeakPolarHBondContact O-CG 3Å; I200-R861 PolarHBondContact O-N 3.05Å; I200-I875 HydrophobicContact CD1-CB 3.89Å; I200-I875 HydrophobicContact CD1-CG2 4.38Å |
| 201 | V | 89.6 | Confident | 71 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 13% | 0.127 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 130 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | R183 Y860 | R183-V201 HydrophobicContact CB-CB 4.49Å; R183-V201 HydrophobicContact CB-CG2 3.88Å; R183-V201 PolarHBondContact O-N 2.89Å; V201-Y860 HydrophobicContact CB-CD1 4.4Å; V201-Y860 HydrophobicContact CB-CE1 4.43Å; V201-Y860 HydrophobicContact CG2-CD1 3.78Å; V201-Y860 HydrophobicContact CG2-CE1 3.38Å |
| 202 | N | 85.1 | Confident | 68.5 | Low | 31 Ų | 31 | 73.7 Ų | 73.7 | 17% | 0.166 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 132.1 | 167.9 | -72.2 | -28.4 | 0 | 0 | 0 | 109.5 | I200 S204 T859 R861 P885 N886 | I200-N202 PolarHBondContact O-N 2.88Å; N202-S204 PolarHBondContact O-N 2.87Å; N202-T859 PolarHBondContact N-O 3.24Å; N202-T859 PolarHBondContact ND2-OG1 2.92Å; N202-T859 VanDerWaalsContact ND2-OG1 3.12Å; N202-R861 VanDerWaalsContact OD1-CB 3.3Å; N202-R861 WeakPolarHBondContact OD1-CB 3.21Å; N202-R861 WeakPolarHBondContact OD1-CG 3.44Å; N202-R861 PolarHBondContact OD1-N 3.21Å; N202-P885 PolarHBondContact ND2-O 3.46Å; N202-N886 PolarHBondContact ND2-OD1 3.48Å |
| 203 | P | 70.8 | Confident | 65.8 | Low | 65 Ų | 65 | 77.6 Ų | 77.6 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 133.9 | 171.1 | 25 | -32.6 | 0 | 0 | 0 | 109.3 | E182 N205 | E182-P203 WeakPolarHBondContact OE1-CD 3.39Å; P203-N205 PolarHBondContact O-N 2.79Å |
| 204 | S | 59.4 | Low | 63.2 | Low | 82 Ų | 82 | 83.2 Ų | 83.2 | 57% | 0.573 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 125.6 | -175.2 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | N202 Q206 | N202-S204 PolarHBondContact O-N 2.87Å; S204-Q206 PolarHBondContact O-N 2.87Å |
| 205 | N | 43 | Very low | 60.3 | Low | 150 Ų | 150 | 84.7 Ų | 84.7 | 80% | 0.802 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -57.7 | 11.9 | 179.1 | -82.9 | 6.4 | 0 | 0 | 0 | 116.7 | P203 Q207 N208 | P203-N205 PolarHBondContact O-N 2.79Å; N205-Q207 VanDerWaalsContact C-N 3.27Å; N205-Q207 PolarHBondContact O-N 3Å; N205-N208 PolarHBondContact O-N 3.31Å |
| 206 | Q | 40.8 | Very low | 57.4 | Low | 129 Ų | 129 | 91.1 Ų | 91.1 | 60% | 0.603 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -71.9 | -16.7 | -177.7 | -61.1 | -168.6 | -85.3 | 0 | 0 | 113.5 | S204 N208 E209 | S204-Q206 PolarHBondContact O-N 2.87Å; Q206-N208 PolarHBondContact O-N 2.74Å; Q206-E209 PolarHBondContact O-N 2.56Å |
| 207 | Q | 34.3 | Very low | 54.4 | Low | 157 Ų | 157 | 98.5 Ų | 98.5 | 73% | 0.734 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -70.2 | -4.2 | 175.2 | -78.2 | -179.8 | -63.9 | 0 | 0 | 114.8 | N205 | N205-Q207 VanDerWaalsContact C-N 3.27Å; N205-Q207 PolarHBondContact O-N 3Å |
| 208 | N | 29.9 | Very low | 51.3 | Low | 136 Ų | 136 | 104.4 Ų | 104.4 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -98.7 | 10.1 | 177.6 | -92.1 | 15.9 | 0 | 0 | 0 | 114.5 | N205 Q206 | N205-N208 PolarHBondContact O-N 3.31Å; Q206-N208 PolarHBondContact O-N 2.74Å |
| 209 | E | 34 | Very low | 48.4 | Very low | 168 Ų | 168 | 111.4 Ų | 111.4 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -13.1 | 174.2 | -66.7 | -170.2 | 148.3 | 0 | 0 | 114 | Q206 | Q206-E209 PolarHBondContact O-N 2.56Š|
| 210 | E | 35 | Very low | 45.3 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -33.6 | 173.8 | -74 | 176.3 | 127.1 | 0 | 0 | 112.9 | S212 | E210-S212 PolarHBondContact O-N 2.91Š|
| 211 | D | 35.1 | Very low | 42.3 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 41.7 | 176.8 | -97.5 | -7.8 | 0 | 0 | 0 | 113.2 | ||
| 212 | S | 38.4 | Very low | 39.6 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.1 | 15.6 | 178 | -74.7 | 0 | 0 | 0 | 0 | 114.6 | E210 V214 | E210-S212 PolarHBondContact O-N 2.91Å; S212-V214 PolarHBondContact O-N 3.39Å; S212-V214 VanDerWaalsContact O-N 3.08Å |
| 213 | E | 33.6 | Very low | 36.9 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -75.1 | 88.4 | 161.1 | -65.1 | -154.2 | 143.6 | 0 | 0 | 110.5 | P215 | E213-P215 WeakPolarHBondContact O-CD 3.32Š| ||
| 214 | V | 35.8 | Very low | 34.9 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | trans | -68 | 124.1 | 170.2 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | S212 M216 | S212-V214 PolarHBondContact O-N 3.39Å; S212-V214 VanDerWaalsContact O-N 3.08Å; V214-M216 PolarHBondContact O-N 2.86Å | ||
| 215 | P | 30.9 | Very low | 33.4 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -61.5 | 110.5 | 175 | -24 | 35.3 | 0 | 0 | 0 | 111.2 | E213 D217 | E213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-D217 VanDerWaalsContact C-N 3.29Å; P215-D217 PolarHBondContact O-N 3.41Å | ||
| 216 | M | 34.9 | Very low | 32.6 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -85.3 | 62.7 | -176.2 | -108.1 | -69.9 | -60.1 | 0 | 0 | 111.6 | V214 | V214-M216 PolarHBondContact O-N 2.86Š| ||
| 217 | D | 32.6 | Very low | 32.2 | Very low | 155 Ų | 155 | 158.7 Ų | 158.7 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -154.6 | 91.2 | 167.6 | -106.9 | -31 | 0 | 0 | 0 | 112.7 | P215 | P215-D217 VanDerWaalsContact C-N 3.29Å; P215-D217 PolarHBondContact O-N 3.41Å | ||
| 218 | S | 30.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 157.1 Ų | 157.1 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -177 | 120.7 | 149.4 | -83.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 219 | V | 35.6 | Very low | 31.7 | Very low | 147 Ų | 147 | 157.1 Ų | 157.1 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -96 | 100.8 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 220 | E | 28.6 | Very low | 31.5 | Very low | 183 Ų | 183 | 155.7 Ų | 155.7 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -169.7 | 155.5 | 144.2 | -112.2 | 167.4 | -155 | 0 | 0 | 112.7 | ||||
| 221 | M | 31.2 | Very low | 31.4 | Very low | 180 Ų | 180 | 154.5 Ų | 154.5 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -146.1 | 112.4 | 178.9 | -108.1 | -85.9 | -179.9 | 0 | 0 | 109.7 | ||||
| 222 | P | 32.8 | Very low | 31 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | trans | -121.4 | 122 | 154.2 | 32 | -19.8 | 0 | 0 | 0 | 112.1 | ||||
| 223 | H | 28.9 | Very low | 30.5 | Very low | 168 Ų | 168 | 156.9 Ų | 156.9 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | trans | -3.1 | 128.3 | 151.6 | -44 | -73.6 | 0 | 0 | 0 | 118.3 | ||||
| 224 | F | 26.8 | Very low | 30.4 | Very low | 208 Ų | 208 | 153.6 Ų | 153.6 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | -151.2 | 153.1 | 98.8 | -124.1 | -88.9 | 0 | 0 | 0 | 112.4 | |||||
| 225 | R | 28 | Very low | 30.1 | Very low | 228 Ų | 228 | 154.7 Ų | 154.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -106.5 | 141.5 | 172.1 | -67.5 | 174.1 | 174.5 | 169.4 | -1.2 | 109.3 | ||||
| 226 | Q | 27.7 | Very low | 30 | Very low | 200 Ų | 200 | 160.1 Ų | 160.1 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | -152.3 | 157.2 | 124 | -117.7 | 168.1 | -1 | 0 | 0 | 112.2 | |||||
| 227 | R | 31 | Very low | 29.8 | Very low | 196 Ų | 196 | 163.5 Ų | 163.5 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | trans | -131.9 | 148.3 | -175.8 | -78.4 | 178.7 | 167.2 | 164 | -7.1 | 109.4 | F229 | R227-F229 HydrophobicContact CB-CD2 4.31Š| ||
| 228 | S | 25 | Very low | 29.7 | Very low | 124 Ų | 124 | 162.4 Ų | 162.4 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -134.6 | 64.3 | 159.4 | 38.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 229 | F | 29.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 162.7 Ų | 162.7 | 60% | 0.596 | 82% | 0.817 | S | S | * | * | -3.9 | 146.9 | 125.8 | -82 | -32.3 | 0 | 0 | 0 | 116.4 | R227 | R227-F229 HydrophobicContact CB-CD2 4.31Š| |||
| 230 | L | 30.2 | Very low | 29.8 | Very low | 138 Ų | 138 | 163.1 Ų | 163.1 | 72% | 0.723 | 81% | 0.812 | S | S | * | * | cis | -170 | -170.7 | 19.2 | -108.2 | 166.3 | 0 | 0 | 0 | 107 | ||||
| 231 | P | 32.4 | Very low | 29.8 | Very low | 109 Ų | 109 | 161.5 Ų | 161.5 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | cis | -128.6 | 161.8 | -17.3 | 35 | -17.9 | 0 | 0 | 0 | 115.5 | ||||
| 232 | S | 27.5 | Very low | 29.6 | Very low | 112 Ų | 112 | 161 Ų | 161 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -114.7 | 139.3 | 150.2 | 58.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 233 | Q | 28.6 | Very low | 29.4 | Very low | 183 Ų | 183 | 162.5 Ų | 162.5 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -77.3 | 148.5 | -173.5 | -75.2 | -160.3 | 2.5 | 0 | 0 | 113.4 | ||||
| 234 | P | 30.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 164.1 Ų | 164.1 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -91 | 125 | -170.2 | 34.1 | -34.2 | 0 | 0 | 0 | 114 | ||||
| 235 | V | 29.6 | Very low | 29.4 | Very low | 142 Ų | 142 | 161.7 Ų | 161.7 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -81.9 | 113.8 | 161 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 236 | R | 29.4 | Very low | 29.4 | Very low | 235 Ų | 235 | 160 Ų | 160 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -69 | 133.8 | 175.5 | -70.6 | -174 | 177.6 | -171.1 | -0.1 | 110.7 | ||||
| 237 | R | 29.4 | Very low | 29.4 | Very low | 243 Ų | 243 | 157.9 Ų | 157.9 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -93.1 | 148.4 | 161.7 | -68 | -179.3 | 176 | 178.4 | -1.7 | 109.8 | ||||
| 238 | T | 30.3 | Very low | 29.1 | Very low | 131 Ų | 131 | 156 Ų | 156 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -123.2 | 150 | 159.3 | 44.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 239 | P | 33.3 | Very low | 29.1 | Very low | 131 Ų | 131 | 156.3 Ų | 156.3 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -86.9 | 174.8 | -172 | 35.1 | -36.3 | 0 | 0 | 0 | 114 | ||||
| 240 | I | 35.2 | Very low | 28.9 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 80% | 0.795 | 81% | 0.814 | S | S | * | * | trans | -98.2 | 141.9 | -169.4 | -47.5 | 168 | 0 | 0 | 0 | 110.9 | ||||
| 241 | L | 29.4 | Very low | 28.8 | Very low | 150 Ų | 150 | 153.4 Ų | 153.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 146 | 117.3 | 134.5 | -81.3 | 164.8 | 0 | 0 | 0 | 113.3 | ||||
| 242 | H | 27.8 | Very low | 28.5 | Very low | 169 Ų | 169 | 159.1 Ų | 159.1 | 78% | 0.782 | 82% | 0.823 | S | S | * | * | -168.2 | 148.5 | 120.7 | -109.6 | 61.3 | 0 | 0 | 0 | 114.6 | |||||
| 243 | N | 27 | Very low | 28.8 | Very low | 139 Ų | 139 | 159 Ų | 159 | 74% | 0.743 | 82% | 0.823 | S | S | * | * | trans | 53.9 | 104.7 | 154.8 | -66.8 | 1.9 | 0 | 0 | 0 | 122.2 | ||||
| 244 | F | 27.7 | Very low | 29 | Very low | 202 Ų | 202 | 156.2 Ų | 156.2 | 89% | 0.886 | 82% | 0.82 | S | S | * | * | trans | -62.3 | 175.4 | 134.4 | -98.3 | -107 | 0 | 0 | 0 | 111.8 | ||||
| 245 | L | 28.5 | Very low | 28.8 | Very low | 156 Ų | 156 | 154 Ų | 154 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | trans | 78.9 | 86.2 | 174.5 | -56.1 | 173 | 0 | 0 | 0 | 116.4 | ||||
| 246 | H | 27.4 | Very low | 29.7 | Very low | 193 Ų | 193 | 153.2 Ų | 153.2 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | -167.1 | 76.7 | 121.4 | -106.9 | -73.9 | 0 | 0 | 0 | 110.9 | |||||
| 247 | I | 27.3 | Very low | 29.6 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -122.4 | 95.6 | 167.9 | -60.5 | 178.6 | 0 | 0 | 0 | 107.7 | ||||
| 248 | L | 24.9 | Very low | 29.4 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | 168.3 | 88.4 | 153.9 | -97.2 | 171.9 | 0 | 0 | 0 | 109.9 | ||||
| 249 | S | 25.5 | Very low | 29.2 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -170.5 | 103.1 | 153.9 | -84.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 250 | S | 25.6 | Very low | 28.8 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -83.9 | 162.4 | -168 | -45.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 251 | S | 27.4 | Very low | 28.4 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 69.1 | 150.5 | 157.4 | 77.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 252 | R | 26.4 | Very low | 28.3 | Very low | 229 Ų | 229 | 140.8 Ų | 140.8 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | cis | -143.8 | 161.9 | 27.9 | -62.1 | 173 | 170.8 | -177.4 | -5.5 | 112.7 | ||||
| 253 | S | 33.2 | Very low | 29.2 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -68.9 | 150.9 | 154.4 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 254 | P | 33.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -153.3 | 177.4 | 91.8 | 41.9 | -25.1 | 0 | 0 | 0 | 115.8 | |||||
| 255 | G | 25.1 | Very low | 31.2 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 84.2 | 137.4 | 130.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 256 | P | 50.2 | Low | 32.2 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -104.5 | 176.8 | 169.8 | 39.9 | -34.3 | 0 | 0 | 0 | 114.2 | ||||
| 257 | S | 26.3 | Very low | 33.6 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 102.1 | 142.7 | 150.6 | 80.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 258 | V | 25.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | 61.7 | 139.4 | 164.9 | -157.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 259 | G | 24.7 | Very low | 35.8 | Very low | 61 Ų | 61 | 122.6 Ų | 122.6 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | cis | 153.7 | 144.9 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 260 | A | 26.3 | Very low | 36.3 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 64.4 | 163.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 261 | E | 26.4 | Very low | 37.2 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | cis | -147.1 | -174.2 | 2.9 | -144.3 | 159.6 | 139.6 | 0 | 0 | 112 | ||||
| 262 | Q | 26.7 | Very low | 37.6 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -108.5 | -158.8 | -172.7 | -51.5 | -174.8 | -23 | 0 | 0 | 112 | ||||
| 263 | P | 46.7 | Very low | 38.1 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | cis | -136.8 | -141.7 | -12.3 | 37.6 | -13.7 | 0 | 0 | 0 | 112.4 | ||||
| 264 | P | 50.9 | Low | 38 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | -106.9 | -143 | -64.1 | 28.3 | -6.4 | 0 | 0 | 0 | 109.2 | |||||
| 265 | P | 46.8 | Very low | 37.8 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | cis | -131.4 | -129.6 | -7.9 | 49.7 | -29.1 | 0 | 0 | 0 | 112.9 | ||||
| 266 | P | 49.4 | Very low | 37.8 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | -120.8 | -152.2 | -160.3 | 42.6 | -19 | 0 | 0 | 0 | 111.9 | ||||
| 267 | P | 57.1 | Low | 37 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | cis | -122.9 | -152.7 | -15.5 | 44.7 | -27.2 | 0 | 0 | 0 | 110.5 | ||||
| 268 | P | 48 | Very low | 37 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | -123.8 | -135.9 | -10.8 | 46.8 | -27.6 | 0 | 0 | 0 | 111.7 | ||||
| 269 | P | 49.6 | Very low | 37.1 | Very low | 107 Ų | 107 | 120 Ų | 120 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | trans | -137.3 | 135.1 | -135.5 | 37.2 | -12 | 0 | 0 | 0 | 120.7 | ||||
| 270 | R | 35.4 | Very low | 37.2 | Very low | 218 Ų | 218 | 121.8 Ų | 121.8 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | 59.3 | 157 | 127 | -70.4 | -172.6 | -179.9 | -156.9 | -1.7 | 121.2 | V272 | R270-V272 HydrophobicContact CG-CG2 4.16Š| |||
| 271 | P | 45.9 | Very low | 37.2 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -109.5 | 176 | 14.7 | 33.4 | -13.6 | 0 | 0 | 0 | 113.4 | ||||
| 272 | V | 36.1 | Very low | 37.2 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | cis | 76.2 | 140.3 | 26.8 | -179 | 0 | 0 | 0 | 0 | 111.5 | R270 | R270-V272 HydrophobicContact CG-CG2 4.16Š| ||
| 273 | S | 35.4 | Very low | 37.8 | Very low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -137.9 | -148 | 5.8 | 38.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 274 | D | 31.8 | Very low | 36.7 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | -162.3 | 168.1 | -88.6 | -68.7 | -48.3 | 0 | 0 | 0 | 107 | |||||
| 275 | G | 29.2 | Very low | 36 | Very low | 80 Ų | 80 | 117.2 Ų | 117.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | cis | 156.8 | 130.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 276 | G | 26.1 | Very low | 35.8 | Very low | 87 Ų | 87 | 118.2 Ų | 118.2 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -172.1 | 144.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 277 | S | 31.6 | Very low | 34.6 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -98.6 | 162.5 | 178.3 | 50 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 278 | G | 26.7 | Very low | 33.1 | Very low | 77 Ų | 77 | 114.7 Ų | 114.7 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -131.4 | 174.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 279 | V | 27.5 | Very low | 32.6 | Very low | 138 Ų | 138 | 115.8 Ų | 115.8 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -153.7 | 161.9 | 168.7 | 140.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 280 | S | 27.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 115.7 Ų | 115.7 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | 74.6 | 126.2 | 168.1 | 59.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 281 | E | 25.7 | Very low | 31.5 | Very low | 193 Ų | 193 | 113 Ų | 113 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | 67.7 | 159.2 | 147.8 | -61.9 | -169.6 | 119.3 | 0 | 0 | 122.3 | ||||
| 282 | S | 27.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 113 Ų | 113 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -117.4 | 175.6 | -177.4 | -57.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 283 | P | 38.6 | Very low | 31.2 | Very low | 130 Ų | 130 | 111.6 Ų | 111.6 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | cis | -139.7 | -171.1 | 9.7 | 43.4 | -24.9 | 0 | 0 | 0 | 115.2 | ||||
| 284 | G | 25.3 | Very low | 31.5 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 107.6 | 162.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 285 | G | 34.5 | Very low | 31.8 | Very low | 73 Ų | 73 | 111.1 Ų | 111.1 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -154.3 | 154.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 286 | P | 42.8 | Very low | 32.3 | Very low | 141 Ų | 141 | 116.4 Ų | 116.4 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -85.7 | -175.7 | 158.2 | -5.8 | 25.9 | 0 | 0 | 0 | 112 | ||||
| 287 | G | 25.5 | Very low | 32.6 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | 153.4 | 138.9 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 288 | G | 24.3 | Very low | 32.8 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 83.2 | 172.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 289 | P | 38.1 | Very low | 33.6 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | cis | -108.5 | -157.3 | -8.2 | 40.1 | -29.2 | 0 | 0 | 0 | 112.9 | ||||
| 290 | S | 28.7 | Very low | 34.3 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | -138.7 | 175.6 | -156.3 | 57 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 291 | L | 33.6 | Very low | 34.9 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | 80.7 | 158.7 | 169.3 | -62.1 | 163.4 | 0 | 0 | 0 | 117.8 | ||||
| 292 | P | 42.6 | Very low | 36 | Very low | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | cis | -111.3 | 174.8 | -3.4 | 40.1 | -30 | 0 | 0 | 0 | 115.1 | ||||
| 293 | G | 32.8 | Very low | 37.1 | Very low | 68 Ų | 68 | 122.8 Ų | 122.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -97.9 | -179.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 294 | C | 40.6 | Very low | 37.7 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -105.9 | 135 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 295 | T | 38.1 | Very low | 38.7 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -124 | 115 | -171.9 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 296 | Q | 40.3 | Very low | 39.5 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -158.4 | 171.6 | 154.5 | -116.6 | 173.1 | 13.7 | 0 | 0 | 110.8 | ||||
| 297 | H | 31.9 | Very low | 40 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 82% | 0.819 | 76% | 0.755 | S | S | * | * | trans | -80.5 | 155.3 | -150.8 | -72.9 | -113 | 0 | 0 | 0 | 115.8 | G299 | H297-G299 PolarHBondContact O-N 2.91Š| ||
| 298 | L | 37 | Very low | 41.1 | Very low | 186 Ų | 186 | 123.6 Ų | 123.6 | 97% | 0.974 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 121.8 | 170.1 | -72 | 154.4 | 0 | 0 | 0 | 110.4 | ||
| 299 | G | 43.3 | Very low | 41.8 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.8 | -33.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | H297 | H297-G299 PolarHBondContact O-N 2.91Š|
| 300 | M | 41.3 | Very low | 41.7 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -127.5 | 150.9 | -178.9 | -64.5 | -154.7 | -66.5 | 0 | 0 | 113.3 | C302 | M300-C302 PolarHBondContact O-N 2.91Š|
| 301 | L | 40.8 | Very low | 41.9 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -77 | 108 | -175.3 | -76.8 | 163.7 | 0 | 0 | 0 | 111.8 | V303 | L301-V303 WeakPolarHBondContact O-CG2 3.48Å; L301-V303 PolarHBondContact O-N 2.87Å | ||
| 302 | C | 47.8 | Very low | 41.5 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 52% | 0.52 | 73% | 0.733 | S | S | . | * | trans | -71.1 | 107.2 | 172.4 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | M300 C304 | M300-C302 PolarHBondContact O-N 2.91Å; C302-C304 VanDerWaalsContact C-N 3.25Å; C302-C304 PolarHBondContact O-N 2.87Å | ||
| 303 | V | 51.5 | Low | 40.7 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | trans | -88.5 | 20.8 | -178.9 | -154.2 | 0 | 0 | 0 | 0 | 112.5 | L301 | L301-V303 WeakPolarHBondContact O-CG2 3.48Å; L301-V303 PolarHBondContact O-N 2.87Å | ||
| 304 | C | 51 | Low | 40.4 | Very low | 47 Ų | 47 | 139.6 Ų | 139.6 | 32% | 0.318 | 75% | 0.749 | S | S | . | * | trans | -67.5 | 150 | 178.9 | 86.5 | 0 | 0 | 0 | 0 | 111.5 | C302 R306 C307 S308 | C302-C304 VanDerWaalsContact C-N 3.25Å; C302-C304 PolarHBondContact O-N 2.87Å; C304-R306 PolarHBondContact O-N 3.26Å; C304-C307 PolarHBondContact O-N 2.77Å; C304-C307 VanDerWaalsContact SG-SG 3.61Å; C304-S308 PolarHBondContact O-N 3.28Å | ||
| 305 | T | 45.9 | Very low | 39.7 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -4.7 | -176.6 | 48.2 | 0 | 0 | 0 | 0 | 114.9 | V309 | T305-V309 WeakPolarHBondContact O-CG2 3.33Š|
| 306 | R | 50.6 | Low | 39.4 | Very low | 208 Ų | 208 | 141.8 Ų | 141.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -26.6 | 169.9 | -67.1 | -175.8 | 176 | -173.6 | 0.2 | 113.3 | C304 | C304-R306 PolarHBondContact O-N 3.26Š|
| 307 | C | 54.8 | Low | 38.7 | Very low | 70 Ų | 70 | 139 Ų | 139 | 47% | 0.473 | 76% | 0.756 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | -29.5 | -178.8 | -68.6 | 0 | 0 | 0 | 0 | 113 | C304 V309 | C304-C307 PolarHBondContact O-N 2.77Å; C304-C307 VanDerWaalsContact SG-SG 3.61Å; C307-V309 VanDerWaalsContact C-N 3.34Å; C307-V309 PolarHBondContact O-N 2.84Å |
| 308 | S | 47.5 | Very low | 38.5 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 49% | 0.49 | 75% | 0.75 | S | S | . | * | G | 310 helix | trans | -70.4 | -24.9 | -179.7 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | C304 S310 | C304-S308 PolarHBondContact O-N 3.28Å; S308-S310 VanDerWaalsContact C-N 3.33Å; S308-S310 PolarHBondContact O-N 2.92Å |
| 309 | V | 40.3 | Very low | 38 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -74 | -21.4 | -174.8 | 177.3 | 0 | 0 | 0 | 0 | 113.2 | T305 C307 R311 | T305-V309 WeakPolarHBondContact O-CG2 3.33Å; C307-V309 VanDerWaalsContact C-N 3.34Å; C307-V309 PolarHBondContact O-N 2.84Å; V309-R311 VanDerWaalsContact C-N 3.32Å; V309-R311 PolarHBondContact O-N 3.08Å |
| 310 | S | 34.3 | Very low | 37.2 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -83.7 | 4.3 | -173.2 | -55.2 | 0 | 0 | 0 | 0 | 115.1 | S308 K312 | S308-S310 VanDerWaalsContact C-N 3.33Å; S308-S310 PolarHBondContact O-N 2.92Å; S310-K312 PolarHBondContact O-N 2.91Å |
| 311 | R | 32.8 | Very low | 36.5 | Very low | 209 Ų | 209 | 129.9 Ų | 129.9 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | trans | -93.3 | 90.1 | 179.3 | -71.9 | -170.8 | 177.3 | -168.5 | 0.4 | 112.5 | V309 | V309-R311 VanDerWaalsContact C-N 3.32Å; V309-R311 PolarHBondContact O-N 3.08Å | ||
| 312 | K | 27.2 | Very low | 35.7 | Very low | 197 Ų | 197 | 128.4 Ų | 128.4 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | -128.8 | 123.7 | 154.6 | -78.5 | -164.1 | 172.8 | -170.6 | 0 | 111 | S310 | S310-K312 PolarHBondContact O-N 2.91Š| ||
| 313 | R | 25.1 | Very low | 34.6 | Very low | 252 Ų | 252 | 131 Ų | 131 | 95% | 0.951 | 76% | 0.759 | S | S | * | * | trans | -71.5 | 134 | 165.4 | -73.8 | 173.6 | 166.3 | 159.4 | -7.2 | 108.6 | ||||
| 314 | C | 25.3 | Very low | 34.1 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -110.7 | 134.1 | 156.5 | -71.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 315 | L | 27.8 | Very low | 32.9 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -84.9 | 139.7 | 168.2 | -79.9 | 158.2 | 0 | 0 | 0 | 108.9 | ||||
| 316 | P | 31 | Very low | 32 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -89.9 | 143 | 178.4 | 34.8 | -33.1 | 0 | 0 | 0 | 112.1 | ||||
| 317 | S | 26.2 | Very low | 30.8 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | trans | -161.3 | 133.2 | 148.9 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 318 | G | 26.4 | Very low | 29.5 | Very low | 68 Ų | 68 | 130 Ų | 130 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 163.9 | 102.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 319 | A | 27.8 | Very low | 28.4 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | 68.4 | 137.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 320 | S | 26.9 | Very low | 27.6 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -149.6 | 95.7 | 176.8 | 59.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 321 | T | 25.2 | Very low | 28.2 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -169.2 | 136.4 | 166.7 | 37.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 322 | S | 25.3 | Very low | 27.9 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | cis | -158.8 | 164.9 | -8.5 | 43.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 323 | T | 23.6 | Very low | 27.8 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -85.2 | -172.5 | -177.7 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 324 | P | 41.7 | Very low | 27.8 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | cis | -140.9 | -175.5 | 0.7 | 40.6 | -20.8 | 0 | 0 | 0 | 117.1 | ||||
| 325 | S | 25.7 | Very low | 28.1 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 69.2 | 154.7 | 145.9 | 70.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 326 | V | 27.1 | Very low | 28.1 | Very low | 135 Ų | 135 | 120.3 Ų | 120.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | -151.9 | 168.1 | -9.9 | 113.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 327 | S | 25.6 | Very low | 28 | Very low | 92 Ų | 92 | 119.6 Ų | 119.6 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -78.5 | -175.9 | 179.8 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 328 | T | 26 | Very low | 28.1 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -166.1 | -179.8 | 6 | -6.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 329 | E | 25.9 | Very low | 28.1 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | 125.2 | 162.4 | 145.2 | -57.4 | -152 | 152.1 | 0 | 0 | 118.6 | ||||
| 330 | T | 22.4 | Very low | 28.2 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -154.2 | -173 | -144.9 | 44.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 331 | P | 48.1 | Very low | 28.3 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | cis | -125.4 | -151 | 6.4 | 23.8 | 5.4 | 0 | 0 | 0 | 112.5 | ||||
| 332 | T | 25 | Very low | 28.5 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | cis | -156 | 173.1 | 20.7 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 333 | L | 25.7 | Very low | 28.4 | Very low | 159 Ų | 159 | 126 Ų | 126 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 60.6 | 141.8 | 158.4 | -64.5 | 160.7 | 0 | 0 | 0 | 119.1 | ||||
| 334 | S | 25.4 | Very low | 28.6 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | cis | -172.9 | 127.6 | -20.3 | 48 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 335 | T | 31.5 | Very low | 27.9 | Very low | 157 Ų | 157 | 130 Ų | 130 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | trans | -179.5 | 157 | 142.4 | 18.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 336 | A | 28.1 | Very low | 28.2 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -137.5 | 174.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 337 | S | 29.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -159.7 | -175.8 | 17.3 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 338 | T | 27.2 | Very low | 28.1 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | -161.6 | 159.2 | -53.9 | 43 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 339 | F | 27.6 | Very low | 28.6 | Very low | 186 Ų | 186 | 138 Ų | 138 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | 71.9 | 149.3 | 167.8 | -64.4 | -66.4 | 0 | 0 | 0 | 118.6 | ||||
| 340 | S | 29.4 | Very low | 28.6 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | cis | -145.7 | 142.2 | 1.7 | -124.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 341 | S | 29.2 | Very low | 28.7 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | 67.1 | 139.3 | 89.7 | -50.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 342 | A | 28.2 | Very low | 27.7 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | -161.2 | 152.5 | -12.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 343 | R | 23.6 | Very low | 28.4 | Very low | 236 Ų | 236 | 140.5 Ų | 140.5 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | -16.4 | 126.9 | 145.5 | 178.4 | -164.4 | -158 | 179 | 7 | 117.2 | ||||
| 344 | T | 27.9 | Very low | 28.5 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | -175.9 | 142.7 | 123.3 | 25.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 345 | E | 27.7 | Very low | 28.6 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -114.1 | 148.4 | 148.1 | -154.3 | -169.9 | -118.3 | 0 | 0 | 106.5 | ||||
| 346 | P | 31.4 | Very low | 28.3 | Very low | 100 Ų | 100 | 139 Ų | 139 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | -149.3 | 168 | 121.8 | 40.1 | -26 | 0 | 0 | 0 | 115.6 | |||||
| 347 | R | 24.4 | Very low | 28.2 | Very low | 235 Ų | 235 | 139 Ų | 139 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | 81.2 | 104.9 | 159.3 | -72.3 | 173.3 | 178.4 | 156.5 | -0.8 | 119.6 | ||||
| 348 | Q | 25.8 | Very low | 28.2 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -54.8 | 166.4 | 133.9 | -90.5 | -173.8 | 5 | 0 | 0 | 112.1 | ||||
| 349 | P | 36.8 | Very low | 28.3 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | cis | -142.4 | -178.8 | 31.6 | 39.7 | -19.2 | 0 | 0 | 0 | 118 | ||||
| 350 | S | 26.5 | Very low | 28.3 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 63.3 | 144.2 | 155.7 | 36.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 351 | D | 24.8 | Very low | 28.2 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | cis | -143.1 | 176.9 | 17.6 | -129.5 | -38.7 | 0 | 0 | 0 | 116.7 | ||||
| 352 | R | 27.4 | Very low | 28.2 | Very low | 223 Ų | 223 | 144.3 Ų | 144.3 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -111.9 | -173.2 | 179.2 | -106.9 | -176.3 | 175.2 | -176.8 | -0.8 | 109.5 | ||||
| 353 | P | 39 | Very low | 28.3 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | cis | -134.1 | -161.9 | -37.4 | 38.2 | -20 | 0 | 0 | 0 | 111.6 | ||||
| 354 | S | 27.4 | Very low | 28.6 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | trans | 66.8 | 121 | 153.3 | -152.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 355 | A | 27.5 | Very low | 28.5 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | cis | 72.8 | 139.7 | 45.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 356 | F | 26.4 | Very low | 28.5 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | 117.3 | 147.7 | -179.2 | -87.6 | -110 | 0 | 0 | 0 | 112.3 | ||||
| 357 | T | 25.9 | Very low | 28.3 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | cis | 179.1 | 156.9 | -29.5 | -90.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 358 | S | 28.8 | Very low | 28.4 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 68.1 | 164 | 158.2 | 63 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 359 | V | 28 | Very low | 29.5 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | cis | -163 | 179.2 | -25.8 | 147.1 | 0 | 0 | 0 | 0 | 106.3 | Y361 | V359-Y361 HydrophobicContact CG1-CD2 4.16Š| ||
| 360 | Y | 28.1 | Very low | 28.8 | Very low | 206 Ų | 206 | 130.8 Ų | 130.8 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | 98.7 | 139.6 | 164.5 | -62.1 | -81.9 | 0 | 0 | 0 | 116 | ||||
| 361 | Y | 27.8 | Very low | 28.8 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 73% | 0.725 | 77% | 0.768 | S | S | * | * | cis | 161.4 | 128.9 | -25.3 | -124 | -85.4 | 0 | 0 | 0 | 104.1 | V359 | V359-Y361 HydrophobicContact CG1-CD2 4.16Š| ||
| 362 | S | 29.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 45.1 | 167.3 | 142.4 | 70.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 363 | A | 30.6 | Very low | 29.4 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | cis | -142.1 | 176.2 | 0.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 364 | G | 28.6 | Very low | 28.8 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | cis | 112.9 | 118.6 | 8.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 365 | A | 27.5 | Very low | 28.7 | Very low | 107 Ų | 107 | 135 Ų | 135 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | -152.1 | 140.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 366 | S | 27.2 | Very low | 28.5 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -159.5 | 141.9 | -177.2 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 367 | L | 26.1 | Very low | 29.3 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -143.2 | 141.1 | 170.6 | -75.4 | 179.1 | 0 | 0 | 0 | 112.7 | ||||
| 368 | N | 28 | Very low | 29.2 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -159.1 | 172.5 | 172.2 | -97.5 | -23.6 | 0 | 0 | 0 | 104 | ||||
| 369 | P | 47.2 | Very low | 29.1 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -137.5 | -153.5 | 11.7 | 33.6 | -8.7 | 0 | 0 | 0 | 113.3 | ||||
| 370 | I | 23.8 | Very low | 29 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 126.4 | 139.5 | 149.1 | -65.9 | 161.7 | 0 | 0 | 0 | 114.9 | ||||
| 371 | M | 25.8 | Very low | 28.9 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -122.2 | 167.4 | 173.3 | -65.4 | -119 | 80 | 0 | 0 | 109.9 | ||||
| 372 | P | 40.6 | Very low | 28.9 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | -144.9 | 166.1 | 114.5 | 37.7 | -23.7 | 0 | 0 | 0 | 116.1 | |||||
| 373 | N | 23.6 | Very low | 29.5 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -76.9 | 167.7 | 168.9 | -72.5 | -31.5 | 0 | 0 | 0 | 112.5 | ||||
| 374 | I | 27 | Very low | 29.3 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | -176.4 | 136.8 | 118.5 | -96.6 | 158.9 | 0 | 0 | 0 | 114.2 | |||||
| 375 | M | 24.8 | Very low | 30.1 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | 68.9 | 125.7 | 157.3 | -77.4 | 162.1 | 65.8 | 0 | 0 | 125.2 | ||||
| 376 | E | 23.1 | Very low | 30.1 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -71.1 | -173.1 | 158.8 | -93.1 | -176.8 | 118.4 | 0 | 0 | 114.6 | ||||
| 377 | P | 43.9 | Very low | 30 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 60% | 0.604 | 81% | 0.812 | S | S | * | * | cis | -138.6 | -167.8 | -25.7 | 32.6 | -10.9 | 0 | 0 | 0 | 114.2 | ||||
| 378 | L | 24.7 | Very low | 30.1 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | 72.7 | 145.4 | 163.1 | -56.1 | 162.9 | 0 | 0 | 0 | 117.3 | ||||
| 379 | G | 25.2 | Very low | 30 | Very low | 68 Ų | 68 | 145.3 Ų | 145.3 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | cis | 177.6 | 141.8 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 380 | A | 26.8 | Very low | 29 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | 55.8 | 140.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 381 | A | 25.5 | Very low | 29.1 | Very low | 106 Ų | 106 | 144 Ų | 144 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 111.3 | 145.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 382 | R | 27.7 | Very low | 29.2 | Very low | 244 Ų | 244 | 142.8 Ų | 142.8 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -130.8 | -179.4 | -178.6 | -87 | 178.7 | 161.1 | -169.1 | -5.1 | 107.3 | ||||
| 383 | P | 41.9 | Very low | 28.4 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | cis | -133.7 | -161.3 | 9.7 | 37.7 | -15.1 | 0 | 0 | 0 | 115 | ||||
| 384 | G | 27.1 | Very low | 28.4 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -89.8 | -143.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 385 | P | 45.5 | Very low | 28.3 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | -143 | -171.6 | 25.9 | 45.2 | -25.8 | 0 | 0 | 0 | 117.4 | ||||
| 386 | D | 25.8 | Very low | 28.4 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 36.4 | 136 | 148.1 | -57.6 | -10.9 | 0 | 0 | 0 | 124.3 | ||||
| 387 | W | 26.5 | Very low | 28.5 | Very low | 253 Ų | 253 | 137.4 Ų | 137.4 | 96% | 0.958 | 76% | 0.76 | S | S | * | * | trans | -151.6 | 154.8 | 142.2 | -105.1 | 90.6 | 0 | 0 | 0 | 111.7 | ||||
| 388 | T | 26.8 | Very low | 27.6 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -145.1 | 158.1 | 177.8 | 64 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 389 | R | 26 | Very low | 27.7 | Very low | 229 Ų | 229 | 134.3 Ų | 134.3 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 71.9 | 117.6 | 151.5 | -82.9 | -174 | 169.6 | 178.6 | -0.8 | 123.1 | ||||
| 390 | S | 26.5 | Very low | 27.8 | Very low | 85 Ų | 85 | 134.3 Ų | 134.3 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | 89.9 | 122.2 | 114.6 | -66.2 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 391 | L | 27.1 | Very low | 28.4 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 57 | 135.9 | 125.2 | -51.3 | 170.6 | 0 | 0 | 0 | 120 | |||||
| 392 | L | 26.9 | Very low | 28.4 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | -176.9 | 157.5 | 74.2 | -88.7 | 174.2 | 0 | 0 | 0 | 114.3 | |||||
| 393 | N | 24.7 | Very low | 28.4 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | trans | 16.5 | 152.4 | 145.5 | -58.3 | -1.4 | 0 | 0 | 0 | 123.7 | ||||
| 394 | M | 23.6 | Very low | 27.8 | Very low | 144 Ų | 144 | 134 Ų | 134 | 71% | 0.709 | 75% | 0.753 | S | S | * | * | 178.3 | 128 | 95.8 | -84.5 | -50.1 | 178.2 | 0 | 0 | 115.7 | |||||
| 395 | R | 25 | Very low | 28.2 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | 62.4 | 157.6 | 127.6 | -60 | -171.6 | 84.1 | 167.7 | -0.3 | 121.5 | |||||
| 396 | D | 25.5 | Very low | 27.5 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 56% | 0.561 | 76% | 0.757 | S | S | * | * | cis | -151 | -176.3 | -2.7 | -132.5 | 35.2 | 0 | 0 | 0 | 110 | ||||
| 397 | S | 25.6 | Very low | 27.6 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | cis | -135.7 | -111.9 | 5.2 | -157.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 398 | A | 25.7 | Very low | 27.6 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | cis | -156.7 | -170.4 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 399 | A | 26.9 | Very low | 27.6 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 88% | 0.876 | 76% | 0.755 | S | S | * | * | trans | -78.6 | 152.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 400 | G | 27.1 | Very low | 27.5 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | 141 | 160.1 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 401 | P | 38.5 | Very low | 27.5 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | cis | -137.7 | -171.5 | 5.9 | 43.2 | -24.5 | 0 | 0 | 0 | 116.4 | ||||
| 402 | T | 26.5 | Very low | 27.4 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | 70 | 108.9 | 155.2 | 45.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 403 | M | 27.3 | Very low | 27.5 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | 64.5 | 104 | 133.5 | -65.5 | -153.3 | 168.6 | 0 | 0 | 123.8 | ||||
| 404 | L | 29.6 | Very low | 27.6 | Very low | 164 Ų | 164 | 128 Ų | 128 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | 39.9 | 140.5 | 120.6 | -66.6 | 173.7 | 0 | 0 | 0 | 122.6 | |||||
| 405 | P | 35.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -100 | 154.4 | -165.8 | 39.2 | -36.9 | 0 | 0 | 0 | 116.2 | ||
| 406 | P | 30.2 | Very low | 27.8 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 152 | 161.9 | 36 | -32.9 | 0 | 0 | 0 | 113 | ||
| 407 | R | 27.7 | Very low | 27.9 | Very low | 234 Ų | 234 | 128.1 Ų | 128.1 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 148.7 | 149.4 | -62.8 | 169.6 | 169.5 | 167.8 | -5 | 106.4 | ||
| 408 | T | 26.3 | Very low | 27.9 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | -172.2 | 148.2 | 65 | 43.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 409 | S | 26.9 | Very low | 28.1 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 31.5 | 139.8 | 138.1 | -44.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 410 | S | 24.8 | Very low | 28 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 88.9 | 116.4 | 141.1 | -58 | 0 | 0 | 0 | 0 | 121 | ||||
| 411 | S | 25.1 | Very low | 28 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | 157.3 | 163.4 | 143 | 45.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 412 | S | 25.3 | Very low | 27.4 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | -166.1 | 154.3 | -58 | 42.9 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 413 | S | 29.8 | Very low | 27.3 | Very low | 119 Ų | 119 | 146 Ų | 146 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -66.2 | 148 | 179 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 414 | V | 26.9 | Very low | 27.2 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -131.7 | 128.4 | 167.7 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 415 | S | 27.5 | Very low | 26.9 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -144.7 | 133.6 | 166.6 | -61.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 416 | L | 25.4 | Very low | 26.4 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -144.3 | 151.5 | 162.3 | -88.4 | -178.9 | 0 | 0 | 0 | 109.7 | ||||
| 417 | L | 28.1 | Very low | 26.3 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -99.6 | 162.7 | -179.7 | -62.5 | 90.4 | 0 | 0 | 0 | 111.4 | ||||
| 418 | S | 25 | Very low | 26.1 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -134.4 | 157.1 | 145.9 | 54.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 419 | V | 29.1 | Very low | 26.1 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -127.5 | 143.6 | -162.3 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 420 | L | 24.4 | Very low | 26.3 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -146.3 | 151.2 | 148.9 | -109 | 167 | 0 | 0 | 0 | 110.1 | ||||
| 421 | R | 27.6 | Very low | 26.2 | Very low | 218 Ų | 218 | 138.8 Ų | 138.8 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | trans | -103.3 | 149.9 | -177.2 | -66.1 | 178.6 | 176.8 | 175.1 | -1.9 | 111.2 | ||||
| 422 | Q | 25.8 | Very low | 26.2 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -148.5 | -179.5 | 132.5 | -114.5 | 173.1 | 20.5 | 0 | 0 | 110.2 | ||||
| 423 | Q | 25.8 | Very low | 26.4 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 71% | 0.71 | 80% | 0.803 | S | S | * | * | trans | -139.4 | 163.3 | -145.4 | -141.6 | -173.6 | -77.9 | 0 | 0 | 114 | ||||
| 424 | D | 24.5 | Very low | 26.3 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | 71 | 146.2 | 163.9 | -51.1 | -35.9 | 0 | 0 | 0 | 118.3 | ||||
| 425 | G | 23.8 | Very low | 26.3 | Very low | 81 Ų | 81 | 140.4 Ų | 140.4 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 141.7 | 107.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 426 | S | 24.8 | Very low | 26.4 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -102.4 | 149.1 | -173.7 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 427 | S | 27.5 | Very low | 26.8 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | 53.4 | 116.1 | 153.1 | 65.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 428 | Q | 24.7 | Very low | 26.7 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | -179.7 | 155.8 | 100.4 | -94.8 | 177.3 | 24.2 | 0 | 0 | 111.3 | |||||
| 429 | S | 24.9 | Very low | 27 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -104 | 148.1 | 168 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 430 | P | 30.8 | Very low | 26.8 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -110.9 | 149.3 | 166.9 | 8.5 | 12.5 | 0 | 0 | 0 | 113.7 | ||||
| 431 | L | 24.4 | Very low | 27 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -136.9 | 157.1 | 165.4 | -56.7 | 173.4 | 0 | 0 | 0 | 106 | ||||
| 432 | Y | 25.1 | Very low | 27 | Very low | 195 Ų | 195 | 138.2 Ų | 138.2 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | cis | -158.2 | 178.2 | 9.4 | -152.7 | -147.3 | 0 | 0 | 0 | 110.4 | ||||
| 433 | T | 28.4 | Very low | 27.1 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | trans | 65.6 | 130.6 | 151.9 | 34.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 434 | S | 27.1 | Very low | 27.2 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 16 | 142.1 | 134.3 | 59.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 435 | A | 27.4 | Very low | 27.4 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -84.5 | 158.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 436 | S | 29.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -152 | 153.8 | 148.8 | -52.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 437 | E | 33.4 | Very low | 28.5 | Very low | 207 Ų | 207 | 140 Ų | 140 | 97% | 0.967 | 81% | 0.809 | S | S | * | * | trans | -97.4 | 154.9 | 179.8 | -60 | -175.6 | 118.2 | 0 | 0 | 113.8 | ||||
| 438 | G | 27.8 | Very low | 28.5 | Very low | 80 Ų | 80 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 171.6 | 125.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 439 | R | 29.6 | Very low | 28.5 | Very low | 253 Ų | 253 | 134.9 Ų | 134.9 | 96% | 0.955 | 81% | 0.807 | S | S | * | * | trans | -105.6 | 138.6 | 177.1 | -74.9 | -170.5 | 177.9 | -148 | 1.4 | 112.1 | ||||
| 440 | G | 26.2 | Very low | 28.6 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -170.5 | 125.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 441 | F | 27.7 | Very low | 28.4 | Very low | 208 Ų | 208 | 140 Ų | 140 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | trans | -100.7 | 157.9 | 166.2 | -74.7 | -94.2 | 0 | 0 | 0 | 108 | ||||
| 442 | A | 27.6 | Very low | 28.5 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | cis | -139.5 | -153.6 | 12.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 443 | Q | 28.4 | Very low | 28.6 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 77% | 0.771 | 81% | 0.814 | S | S | * | * | cis | -147.7 | -97.3 | 10.3 | -161.9 | 174.8 | -36.6 | 0 | 0 | 114.8 | ||||
| 444 | Q | 28.7 | Very low | 28.4 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -147.7 | 152.9 | -164.4 | -70.2 | 160.6 | -65.1 | 0 | 0 | 112.2 | ||||
| 445 | G | 26.7 | Very low | 28.3 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | 176.5 | 120.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 446 | E | 28.5 | Very low | 28.5 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -102.6 | 171 | -174 | -103 | -111.6 | 117.5 | 0 | 0 | 113 | ||||
| 447 | P | 44.5 | Very low | 28.5 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -105 | 173.6 | -149.2 | 40.4 | -39.2 | 0 | 0 | 0 | 117.3 | ||||
| 448 | G | 26.5 | Very low | 28.1 | Very low | 76 Ų | 76 | 125.8 Ų | 125.8 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 141.9 | 160.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 449 | S | 26.2 | Very low | 28 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | cis | -168.4 | 128.9 | -12.8 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 450 | R | 27.1 | Very low | 27.8 | Very low | 208 Ų | 208 | 127.9 Ų | 127.9 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 60.4 | 139.4 | 148.7 | -66.1 | -178.9 | 79 | 147.6 | 11.4 | 122.6 | ||||
| 451 | D | 25.7 | Very low | 28.8 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | 49.7 | 125.3 | 131.9 | -45.4 | -18.3 | 0 | 0 | 0 | 120.8 | ||||
| 452 | G | 27 | Very low | 28.6 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | 177.2 | 63.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 453 | A | 26.2 | Very low | 28.6 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -92.3 | 149.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 454 | G | 24.8 | Very low | 28.5 | Very low | 59 Ų | 59 | 132 Ų | 132 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | trans | 173.6 | 95.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 455 | T | 25.5 | Very low | 28.3 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | 64.8 | 134.7 | 96.2 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 456 | S | 29.9 | Very low | 28.2 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | cis | -156.3 | -176.4 | 12.1 | 70.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 457 | S | 30.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -158.7 | 162.7 | 5.3 | 49.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 458 | G | 25.3 | Very low | 27.1 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | 165.8 | 41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 459 | H | 26.3 | Very low | 27.1 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 90% | 0.903 | 80% | 0.802 | S | S | * | * | trans | 39.8 | 115.9 | 161.6 | -70.9 | -84.3 | 0 | 0 | 0 | 122 | ||||
| 460 | H | 25.7 | Very low | 27.1 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -86.8 | 171.7 | 157.4 | -89.2 | -63.6 | 0 | 0 | 0 | 111.4 | ||||
| 461 | P | 45.4 | Very low | 27.2 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -122.8 | -162.6 | 17.9 | 40.9 | -21.5 | 0 | 0 | 0 | 112.9 | ||||
| 462 | F | 24.4 | Very low | 27.2 | Very low | 178 Ų | 178 | 126.2 Ų | 126.2 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | cis | -148.9 | -173.4 | 16.9 | -163.9 | -101.3 | 0 | 0 | 0 | 112.2 | ||||
| 463 | W | 27.2 | Very low | 27.3 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | -52.6 | 142 | -169.4 | -77.3 | 66.9 | 0 | 0 | 0 | 119.3 | ||||
| 464 | D | 26.3 | Very low | 27.5 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 27.9 | 143.7 | 134.6 | -59.7 | 5.1 | 0 | 0 | 0 | 121.9 | ||||
| 465 | G | 24.4 | Very low | 27.5 | Very low | 79 Ų | 79 | 140.8 Ų | 140.8 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | cis | 161 | 150.5 | -3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 466 | G | 24.7 | Very low | 27.9 | Very low | 78 Ų | 78 | 140.5 Ų | 140.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 109.2 | 73.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 467 | R | 27.1 | Very low | 28 | Very low | 259 Ų | 259 | 142.7 Ų | 142.7 | 98% | 0.977 | 82% | 0.816 | S | S | * | * | trans | -167.2 | 129.2 | 143 | -110.3 | 169.7 | -165.8 | -120.5 | -0.2 | 111.6 | ||||
| 468 | G | 24.3 | Very low | 28.5 | Very low | 82 Ų | 82 | 143.5 Ų | 143.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -169.7 | 147.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 469 | S | 25.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -141.9 | 150 | -169.8 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 470 | S | 26.7 | Very low | 31.5 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 62.6 | 112.6 | 163.4 | -161.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 471 | A | 28.4 | Very low | 33.9 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | 167.7 | 122.5 | 95.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 472 | S | 25.5 | Very low | 35 | Very low | 125 Ų | 125 | 126 Ų | 126 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -162 | 120.9 | 150.2 | -168.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 473 | F | 28.7 | Very low | 36.6 | Very low | 198 Ų | 198 | 126.9 Ų | 126.9 | 87% | 0.868 | 71% | 0.71 | S | S | * | * | trans | -99.9 | 141 | 161.8 | -93.5 | -100.9 | 0 | 0 | 0 | 107.9 | ||||
| 474 | R | 30.2 | Very low | 38.5 | Very low | 222 Ų | 222 | 119.5 Ų | 119.5 | 84% | 0.838 | 68% | 0.683 | S | S | * | * | 180 | 149.4 | 118.2 | -101.2 | 169.8 | 178.1 | 177.7 | -0.5 | 115.2 | |||||
| 475 | N | 26.1 | Very low | 40.3 | Very low | 140 Ų | 140 | 113.9 Ų | 113.9 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | trans | 63.8 | 64.3 | 149.2 | -58 | 5.7 | 0 | 0 | 0 | 118.8 | ||||
| 476 | V | 32.4 | Very low | 41.9 | Very low | 140 Ų | 140 | 114.6 Ų | 114.6 | 85% | 0.848 | 64% | 0.636 | S | S | * | * | trans | -83.8 | 127.1 | 134.9 | 179.2 | 0 | 0 | 0 | 0 | 106.8 | Q478 | V476-Q478 PolarHBondContact O-N 3.24Š| ||
| 477 | L | 32.7 | Very low | 42.9 | Very low | 160 Ų | 160 | 117 Ų | 117 | 84% | 0.838 | 63% | 0.626 | S | S | * | * | trans | -75.9 | 106.7 | 172.8 | -77.4 | 170 | 0 | 0 | 0 | 108.7 | C479 | L477-C479 PolarHBondContact O-N 3.42Š| ||
| 478 | Q | 41.8 | Very low | 43.8 | Very low | 133 Ų | 133 | 108.4 Ų | 108.4 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | trans | -64.9 | 118 | 173.9 | -172.1 | 169.1 | 9.5 | 0 | 0 | 109.1 | V476 N480 | V476-Q478 PolarHBondContact O-N 3.24Å; Q478-N480 PolarHBondContact O-N 3.13Å | ||
| 479 | C | 51.2 | Low | 44.3 | Very low | 83 Ų | 83 | 109.5 Ų | 109.5 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | trans | -70 | 96.3 | 177.5 | -69.1 | 0 | 0 | 0 | 0 | 109.8 | L477 L872 | L477-C479 PolarHBondContact O-N 3.42Å; C479-L872 HydrophobicContact CB-CD1 3.85Å; C479-L872 HydrophobicContact CB-CG 4.44Å; C479-L872 PolarHBondContact O-N 2.6Å | ||
| 480 | N | 61.7 | Low | 44.6 | Very low | 56 Ų | 56 | 113.6 Ų | 113.6 | 30% | 0.299 | 58% | 0.582 | S | S | . | * | B | Isolated β-bridge | trans | -89 | 119.5 | 175.9 | 178.3 | -80.8 | 0 | 0 | 0 | 109.7 | Q478 S482 K869 D871 | Q478-N480 PolarHBondContact O-N 3.13Å; N480-S482 VanDerWaalsContact C-N 3.27Å; N480-S482 PolarHBondContact O-N 3.32Å; N480-S482 WeakPolarHBondContact OD1-CB 3.42Å; N480-S482 PolarHBondContact OD1-N 2.87Å; N480-S482 PolarHBondContact OD1-OG 2.93Å; N480-K869 PolarHBondContact ND2-O 3.04Å; N480-D871 VanDerWaalsContact CB-OD1 3.31Å; N480-D871 WeakPolarHBondContact CB-OD1 3.28Å; N480-D871 VanDerWaalsContact ND2-CG 3.32Å; N480-D871 PolarHBondContact ND2-OD1 2.99Å |
| 481 | L | 77.9 | Confident | 45 | Very low | 16 Ų | 16 | 114.7 Ų | 114.7 | 8% | 0.084 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -0.8 | -176.8 | -52.4 | 177.4 | 0 | 0 | 0 | 113.4 | F163 F172 R483 Y484 F485 F870 L872 | F163-L481 HydrophobicContact CD1-CD1 4.04Å; F163-L481 HydrophobicContact CE1-CD1 4.42Å; F172-L481 HydrophobicContact CE2-CD1 3.96Å; F172-L481 HydrophobicContact CE2-CD2 3.93Å; F172-L481 HydrophobicContact CZ-CD1 4.28Å; L481-R483 PolarHBondContact O-N 2.88Å; L481-Y484 WeakPolarHBondContact O-CB 3.37Å; L481-Y484 PolarHBondContact O-N 3.21Å; L481-F485 HydrophobicContact CB-CD2 4.2Å; L481-F485 HydrophobicContact CB-CE2 3.85Å; L481-F485 HydrophobicContact CD1-CE2 4.45Å; L481-F485 VanDerWaalsContact O-CD2 3.24Å; L481-F485 WeakPolarHBondContact O-CD2 3.41Å; L481-F485 PolarHBondContact O-N 3.03Å; L481-F870 HydrophobicContact CB-CB 3.85Å; L481-F870 VanDerWaalsContact CB-O 3.24Å; L481-F870 WeakPolarHBondContact CB-O 3.46Å; L481-F870 WeakPolarHBondContact CG-O 3.36Å; L481-F870 PolarHBondContact N-O 3.32Å; L481-L872 HydrophobicContact CD1-CD2 3.88Å; L481-L872 HydrophobicContact CD2-CD2 4.41Å; L481-L872 HydrophobicContact CG-CD2 4.22Å |
| 482 | S | 66.8 | Low | 45.4 | Very low | 37 Ų | 37 | 115.2 Ų | 115.2 | 26% | 0.259 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.3 | -30.7 | 179.6 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | N480 Y484 F485 L486 | N480-S482 VanDerWaalsContact C-N 3.27Å; N480-S482 PolarHBondContact O-N 3.32Å; N480-S482 WeakPolarHBondContact OD1-CB 3.42Å; N480-S482 PolarHBondContact OD1-N 2.87Å; N480-S482 PolarHBondContact OD1-OG 2.93Å; S482-Y484 VanDerWaalsContact C-N 3.35Å; S482-Y484 PolarHBondContact O-N 2.97Å; S482-F485 PolarHBondContact O-N 2.94Å; S482-L486 WeakPolarHBondContact O-CB 3.35Å; S482-L486 WeakPolarHBondContact O-CD1 3.43Å; S482-L486 WeakPolarHBondContact O-CG 3.32Å; S482-L486 PolarHBondContact O-N 2.97Å |
| 483 | R | 59.6 | Low | 45.8 | Very low | 196 Ų | 196 | 115.9 Ų | 115.9 | 74% | 0.74 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.2 | -42.4 | 172.3 | -77.4 | -167.2 | 179.5 | -176.1 | 1.3 | 112.7 | L481 F485 L486 E487 | L481-R483 PolarHBondContact O-N 2.88Å; R483-F485 VanDerWaalsContact C-N 3.33Å; R483-F485 PolarHBondContact O-N 3.35Å; R483-L486 PolarHBondContact O-N 2.99Å; R483-E487 WeakPolarHBondContact O-CB 3.18Å; R483-E487 WeakPolarHBondContact O-CG 3.39Å; R483-E487 PolarHBondContact O-N 2.71Å |
| 484 | Y | 65.5 | Low | 45.6 | Very low | 37 Ų | 37 | 113.8 Ų | 113.8 | 15% | 0.145 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -62.9 | -40.3 | 179 | 167 | -91.9 | 0 | 0 | 0 | 111.4 | D165 F172 L481 S482 I488 | D165-Y484 WeakPolarHBondContact CB-OH 3.3Å; D165-Y484 VanDerWaalsContact CG-OH 3.22Å; D165-Y484 PolarHBondContact OD2-OH 2.99Å; F172-Y484 HydrophobicContact CE1-CE1 4.09Å; F172-Y484 AromaticContact CE1-CZ 3.98Å; F172-Y484 HydrophobicContact CZ-CD1 4.45Å; F172-Y484 HydrophobicContact CZ-CE1 4.05Å; L481-Y484 WeakPolarHBondContact O-CB 3.37Å; L481-Y484 PolarHBondContact O-N 3.21Å; S482-Y484 VanDerWaalsContact C-N 3.35Å; S482-Y484 PolarHBondContact O-N 2.97Å; Y484-I488 HydrophobicContact CE1-CD1 4.23Å; Y484-I488 WeakPolarHBondContact O-CG1 3.39Å |
| 485 | F | 65.8 | Low | 45.7 | Very low | 22 Ų | 22 | 108.3 Ų | 108.3 | 10% | 0.096 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -76.9 | -35.7 | 175.3 | -62.2 | -65.8 | 0 | 0 | 0 | 113.2 | A150 L481 S482 R483 E487 I488 D489 F870 | A150-F485 HydrophobicContact CB-CD1 4.17Å; A150-F485 HydrophobicContact CB-CE1 3.81Å; A150-F485 HydrophobicContact CB-CZ 4.32Å; L481-F485 HydrophobicContact CB-CD2 4.2Å; L481-F485 HydrophobicContact CB-CE2 3.85Å; L481-F485 HydrophobicContact CD1-CE2 4.45Å; L481-F485 VanDerWaalsContact O-CD2 3.24Å; L481-F485 WeakPolarHBondContact O-CD2 3.41Å; L481-F485 PolarHBondContact O-N 3.03Å; S482-F485 PolarHBondContact O-N 2.94Å; R483-F485 VanDerWaalsContact C-N 3.33Å; R483-F485 PolarHBondContact O-N 3.35Å; F485-E487 VanDerWaalsContact C-N 3.33Å; F485-E487 PolarHBondContact O-N 3.02Å; F485-I488 WeakPolarHBondContact O-CB 3.43Å; F485-I488 PolarHBondContact O-N 3.01Å; F485-I488 VanDerWaalsContact O-N 3.16Å; F485-D489 PolarHBondContact O-N 3.39Å; F485-F870 HydrophobicContact CD2-CB 4.01Å; F485-F870 AromaticContact CD2-CD1 3.72Å; F485-F870 HydrophobicContact CD2-CD1 3.72Å; F485-F870 HydrophobicContact CD2-CD2 4.05Å; F485-F870 HydrophobicContact CD2-CE1 4.15Å; F485-F870 HydrophobicContact CD2-CE2 4.45Å; F485-F870 AromaticContact CD2-CG 3.67Å; F485-F870 HydrophobicContact CD2-CG 3.67Å; F485-F870 HydrophobicContact CD2-CZ 4.5Å; F485-F870 HydrophobicContact CE2-CB 3.9Å; F485-F870 AromaticContact CE2-CD1 3.39Å; F485-F870 HydrophobicContact CE2-CD1 3.39Å; F485-F870 AromaticContact CE2-CE1 3.99Å; F485-F870 HydrophobicContact CE2-CE1 3.99Å; F485-F870 AromaticContact CE2-CG 3.7Å; F485-F870 HydrophobicContact CE2-CG 3.7Å; F485-F870 HydrophobicContact CZ-CD1 4.13Å; F485-F870 HydrophobicContact CZ-CE1 4.43Å |
| 486 | L | 57 | Low | 45.8 | Very low | 93 Ų | 93 | 107.4 Ų | 107.4 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.7 | -22.4 | 176.8 | -73.5 | 167.8 | 0 | 0 | 0 | 113.9 | S482 R483 R490 | S482-L486 WeakPolarHBondContact O-CB 3.35Å; S482-L486 WeakPolarHBondContact O-CD1 3.43Å; S482-L486 WeakPolarHBondContact O-CG 3.32Å; S482-L486 PolarHBondContact O-N 2.97Å; R483-L486 PolarHBondContact O-N 2.99Å; L486-R490 WeakPolarHBondContact O-CB 3.48Å; L486-R490 VanDerWaalsContact O-CG 3.28Å; L486-R490 WeakPolarHBondContact O-CG 3.36Å; L486-R490 PolarHBondContact O-N 2.9Å |
| 487 | E | 46.3 | Very low | 45.7 | Very low | 128 Ų | 128 | 109.5 Ų | 109.5 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74 | -28.8 | 169.9 | -78.7 | 172.7 | -172.1 | 0 | 0 | 111.5 | R483 F485 I491 | R483-E487 WeakPolarHBondContact O-CB 3.18Å; R483-E487 WeakPolarHBondContact O-CG 3.39Å; R483-E487 PolarHBondContact O-N 2.71Å; F485-E487 VanDerWaalsContact C-N 3.33Å; F485-E487 PolarHBondContact O-N 3.02Å; E487-I491 WeakPolarHBondContact O-CG1 3.46Å |
| 488 | I | 46.2 | Very low | 45.4 | Very low | 79 Ų | 79 | 105.7 Ų | 105.7 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.4 | -50.3 | 172.3 | -62.3 | 166.6 | 0 | 0 | 0 | 110.1 | Y484 F485 R490 I491 | Y484-I488 HydrophobicContact CE1-CD1 4.23Å; Y484-I488 WeakPolarHBondContact O-CG1 3.39Å; F485-I488 WeakPolarHBondContact O-CB 3.43Å; F485-I488 PolarHBondContact O-N 3.01Å; F485-I488 VanDerWaalsContact O-N 3.16Å; I488-R490 PolarHBondContact O-N 3.39Å; I488-I491 PolarHBondContact O-N 3.11Å |
| 489 | D | 34.6 | Very low | 44.6 | Very low | 105 Ų | 105 | 103.2 Ų | 103.2 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -20 | 176.1 | -74.6 | -19.3 | 0 | 0 | 0 | 113.7 | F485 | F485-D489 PolarHBondContact O-N 3.39Š|
| 490 | R | 31.9 | Very low | 43.4 | Very low | 207 Ų | 207 | 105.2 Ų | 105.2 | 78% | 0.781 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -13.8 | 178 | -83.1 | 179.1 | 169.9 | -152.1 | -4.5 | 114.9 | L486 I488 | L486-R490 WeakPolarHBondContact O-CB 3.48Å; L486-R490 VanDerWaalsContact O-CG 3.28Å; L486-R490 WeakPolarHBondContact O-CG 3.36Å; L486-R490 PolarHBondContact O-N 2.9Å; I488-R490 PolarHBondContact O-N 3.39Å |
| 491 | I | 35.4 | Very low | 41.7 | Very low | 136 Ų | 136 | 110 Ų | 110 | 70% | 0.697 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -27.4 | 176.8 | -68.7 | 165.4 | 0 | 0 | 0 | 110.5 | E487 I488 I493 | E487-I491 WeakPolarHBondContact O-CG1 3.46Å; I488-I491 PolarHBondContact O-N 3.11Å; I491-I493 VanDerWaalsContact C-N 3.31Å; I491-I493 PolarHBondContact O-N 3.35Å |
| 492 | D | 36.5 | Very low | 39.3 | Very low | 107 Ų | 107 | 113.9 Ų | 113.9 | 57% | 0.572 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -84.9 | 11.1 | 179.9 | -82.2 | 11.8 | 0 | 0 | 0 | 114.3 | Q577 | D492-Q577 PolarHBondContact OD2-NE2 2.88Å; D492-Q577 VanDerWaalsContact OD2-NE2 3.11Å |
| 493 | I | 33.2 | Very low | 37.4 | Very low | 139 Ų | 139 | 120 Ų | 120 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | trans | -136.4 | 85.2 | 175.4 | -48.1 | 179.5 | 0 | 0 | 0 | 112.1 | I491 | I491-I493 VanDerWaalsContact C-N 3.31Å; I491-I493 PolarHBondContact O-N 3.35Å | ||
| 494 | D | 24.2 | Very low | 35.8 | Very low | 154 Ų | 154 | 114.2 Ų | 114.2 | 82% | 0.824 | 68% | 0.675 | S | S | * | * | trans | -139.5 | 112.4 | 160.3 | -152.8 | 6.2 | 0 | 0 | 0 | 109.9 | ||||
| 495 | P | 33.5 | Very low | 33.9 | Very low | 107 Ų | 107 | 119.6 Ų | 119.6 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | trans | -78.4 | 137.6 | -170.6 | 30.3 | -34.4 | 0 | 0 | 0 | 112.9 | L497 | P495-L497 PolarHBondContact O-N 3.34Š| ||
| 496 | S | 27.7 | Very low | 32 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | trans | -59.7 | 131 | -173.1 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | G498 | S496-G498 PolarHBondContact O-N 3.45Š| ||
| 497 | L | 29.5 | Very low | 30.5 | Very low | 185 Ų | 185 | 132.5 Ų | 132.5 | 97% | 0.969 | 76% | 0.761 | S | S | * | * | trans | -73.3 | 93.9 | 173.6 | -127.4 | 81.3 | 0 | 0 | 0 | 110.9 | P495 | P495-L497 PolarHBondContact O-N 3.34Š| ||
| 498 | G | 26.9 | Very low | 30.2 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | -97.7 | 93.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S496 | S496-G498 PolarHBondContact O-N 3.45Š| ||
| 499 | G | 25.4 | Very low | 29.2 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -100.5 | 118.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 500 | S | 26 | Very low | 28.9 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -151 | 158.8 | 159.8 | -162 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 501 | I | 26.3 | Very low | 28.6 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -107.2 | 136.4 | -156.9 | -62.7 | 164.3 | 0 | 0 | 0 | 112 | ||||
| 502 | A | 27.3 | Very low | 28.2 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -152.7 | 134.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 503 | D | 26.4 | Very low | 27.9 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -74.5 | 152.9 | -178.9 | -67.3 | -75.2 | 0 | 0 | 0 | 113.7 | ||||
| 504 | G | 25.9 | Very low | 27.6 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -169.9 | 17.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 505 | N | 25 | Very low | 27.8 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 28.6 | 98.4 | 153.6 | -157.6 | 10.9 | 0 | 0 | 0 | 119.9 | ||||
| 506 | Q | 27.3 | Very low | 27.7 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 177.5 | 147.4 | 129.3 | -97.8 | 168 | 37.9 | 0 | 0 | 116 | |||||
| 507 | K | 25.1 | Very low | 27.6 | Very low | 202 Ų | 202 | 136.4 Ų | 136.4 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -151.5 | 168.4 | 166.5 | -95.5 | -173.2 | 178.1 | 179.9 | 0 | 105.9 | ||||
| 508 | P | 40.1 | Very low | 27.6 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -137.9 | -178.3 | 14.1 | 44.5 | -27.9 | 0 | 0 | 0 | 116.2 | ||||
| 509 | N | 25.8 | Very low | 28.6 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 62.6 | 173.7 | 153.5 | -64.5 | 2.9 | 0 | 0 | 0 | 117.7 | ||||
| 510 | Q | 26.5 | Very low | 28.6 | Very low | 137 Ų | 137 | 139.3 Ų | 139.3 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | cis | -150.6 | 169.4 | 0.9 | -142.7 | 148.2 | -81.5 | 0 | 0 | 112.2 | ||||
| 511 | E | 27.5 | Very low | 28.7 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | 66.4 | 163.7 | 153.8 | -81.6 | 143.5 | -140 | 0 | 0 | 120.6 | ||||
| 512 | L | 26.7 | Very low | 29.4 | Very low | 148 Ų | 148 | 141 Ų | 141 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | cis | 178.6 | 176 | -48.6 | -108.7 | 171.1 | 0 | 0 | 0 | 107.8 | ||||
| 513 | L | 29.2 | Very low | 29.4 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 73 | 121 | 173.8 | -48.2 | 177.2 | 0 | 0 | 0 | 115.1 | ||||
| 514 | N | 27.5 | Very low | 29.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | cis | 94.8 | 149.1 | 15.3 | -158.8 | 29.6 | 0 | 0 | 0 | 116.6 | ||||
| 515 | N | 28.1 | Very low | 29.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | trans | 83.8 | 149.4 | 171.6 | -59.1 | -39 | 0 | 0 | 0 | 119.2 | ||||
| 516 | N | 31.8 | Very low | 29.8 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | cis | -170.9 | 175.1 | -31.4 | -158.9 | 9 | 0 | 0 | 0 | 111 | ||||
| 517 | M | 25.3 | Very low | 29.7 | Very low | 153 Ų | 153 | 135 Ų | 135 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 118.8 | 115.9 | 145.6 | -60.4 | -55.8 | -71.4 | 0 | 0 | 119.4 | ||||
| 518 | D | 28.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | -90.4 | 170.3 | 149.8 | -69.4 | -65.7 | 0 | 0 | 0 | 110.7 | ||||
| 519 | P | 49.1 | Very low | 28.9 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | -138 | 175.1 | 95.5 | 41.1 | -27.6 | 0 | 0 | 0 | 112.6 | |||||
| 520 | D | 24.9 | Very low | 29.9 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | cis | -158.3 | 173.2 | 40.1 | -124.2 | -43.1 | 0 | 0 | 0 | 115.1 | ||||
| 521 | R | 28.9 | Very low | 29.8 | Very low | 206 Ų | 206 | 129.8 Ų | 129.8 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | trans | -145.1 | -162 | -178.9 | -132 | -166.5 | 172 | 179 | 0.4 | 110.9 | G523 | R521-G523 PolarHBondContact NH2-O 2.7Š| ||
| 522 | P | 40.6 | Very low | 29.7 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | cis | -91.9 | -168.5 | 10.9 | 41.9 | -39.8 | 0 | 0 | 0 | 113.1 | ||||
| 523 | G | 26.3 | Very low | 29.7 | Very low | 40 Ų | 40 | 128.8 Ų | 128.8 | 41% | 0.412 | 74% | 0.736 | S | S | . | * | cis | -160.7 | -133.1 | 9.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R521 | R521-G523 PolarHBondContact NH2-O 2.7Š| ||
| 524 | Q | 29.2 | Very low | 29.5 | Very low | 180 Ų | 180 | 129.1 Ų | 129.1 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | cis | -179.5 | 148.6 | -42.5 | -98.2 | -177.7 | -5 | 0 | 0 | 106.9 | ||||
| 525 | S | 27.3 | Very low | 29.3 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | cis | -164.5 | 170.3 | -20.5 | 66.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 526 | S | 28.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | 69.5 | 146.1 | 176.4 | 81.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 527 | S | 25.6 | Very low | 30.1 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | cis | -163.1 | 166 | -25 | 61.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 528 | S | 23.5 | Very low | 30.4 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | cis | -157.2 | -167.8 | 18.2 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 529 | S | 24.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -159.7 | -177.9 | 178.2 | -62.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 530 | P | 47.8 | Very low | 30.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | cis | -139 | -160.5 | 5.1 | 44.8 | -25.5 | 0 | 0 | 0 | 114.1 | ||||
| 531 | T | 24.5 | Very low | 31.6 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 173 | 167.1 | 132.3 | -68 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 532 | I | 25.2 | Very low | 32.4 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -142.3 | -166 | -177.3 | 1.6 | 172.7 | 0 | 0 | 0 | 109.9 | ||||
| 533 | I | 25.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 65% | 0.651 | 75% | 0.749 | S | S | * | * | cis | -162.7 | 159.5 | 27.3 | -12.5 | 173.3 | 0 | 0 | 0 | 112.4 | ||||
| 534 | H | 25.7 | Very low | 32 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | 79.3 | 139.6 | 139.1 | -84.2 | -15.7 | 0 | 0 | 0 | 126.2 | ||||
| 535 | Y | 23.8 | Very low | 32 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | 77.4 | 108.5 | 142.3 | -90 | -110.5 | 0 | 0 | 0 | 125 | ||||
| 536 | Q | 25.7 | Very low | 32 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 54.9 | 158.4 | 126.2 | -82.3 | -167.1 | -65.1 | 0 | 0 | 124.4 | |||||
| 537 | P | 50.8 | Low | 32 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -105.1 | 169.5 | -170.8 | 41.7 | -36.3 | 0 | 0 | 0 | 115.3 | ||||
| 538 | P | 31.5 | Very low | 32.2 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | trans | -111 | 169.6 | 162 | 38.7 | -29.7 | 0 | 0 | 0 | 114.1 | ||||
| 539 | A | 28 | Very low | 32.4 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -127.3 | -175.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 540 | P | 57.7 | Low | 32.6 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -82.3 | 168.6 | -163.2 | 38.1 | -39.5 | 0 | 0 | 0 | 114.1 | ||||
| 541 | P | 42.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | -153.7 | -156.1 | 95.9 | 45.4 | -26.8 | 0 | 0 | 0 | 112 | |||||
| 542 | P | 45.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | cis | -127.7 | -159.9 | -13.3 | 38.2 | -17.7 | 0 | 0 | 0 | 114.7 | ||||
| 543 | V | 30.8 | Very low | 33 | Very low | 141 Ų | 141 | 130 Ų | 130 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -127.6 | 148.9 | -162.6 | -179.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 544 | A | 28.2 | Very low | 33.4 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | -176.9 | 149.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 545 | H | 28.9 | Very low | 33.9 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | cis | -167.8 | 149.8 | -20.1 | -108.9 | -61.5 | 0 | 0 | 0 | 110 | ||||
| 546 | S | 26.8 | Very low | 34.3 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 60.4 | 150.1 | 153.5 | 52.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 547 | L | 29.3 | Very low | 34.4 | Very low | 140 Ų | 140 | 123.1 Ų | 123.1 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | cis | -159.9 | 152.4 | -9.6 | -109.5 | 165.3 | 0 | 0 | 0 | 110.5 | ||||
| 548 | E | 29.1 | Very low | 33.3 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | 12.7 | 140.3 | 156 | -66.2 | 162.6 | -171 | 0 | 0 | 121.8 | ||||
| 549 | N | 29.3 | Very low | 33.2 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | -162.7 | 127.2 | 55.6 | -112.1 | -61.6 | 0 | 0 | 0 | 116.2 | |||||
| 550 | N | 28.8 | Very low | 33.1 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | 38.4 | 121.5 | 139.5 | -70.2 | -60.3 | 0 | 0 | 0 | 126.2 | ||||
| 551 | V | 33.1 | Very low | 31.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | 74.7 | 137.1 | 127.6 | 172.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 552 | P | 37.9 | Very low | 31 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | cis | -126.5 | -179.4 | -32.2 | 36.4 | -16.7 | 0 | 0 | 0 | 112.8 | ||||
| 553 | P | 33.6 | Very low | 30.2 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 145 | -166.6 | 36.7 | -33.8 | 0 | 0 | 0 | 117.1 | ||
| 554 | P | 35.1 | Very low | 30 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 148.5 | 146.2 | 35.5 | -29.2 | 0 | 0 | 0 | 111.2 | P556 | P554-P556 WeakPolarHBondContact O-CD 3.38Š|
| 555 | P | 35.3 | Very low | 30 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 124.5 | -173.8 | 30.4 | -34.1 | 0 | 0 | 0 | 113.6 | ||
| 556 | P | 32.6 | Very low | 29.8 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 134.5 | 170.5 | 31.8 | -32.6 | 0 | 0 | 0 | 111.8 | P554 S558 | P554-P556 WeakPolarHBondContact O-CD 3.38Å; P556-S558 PolarHBondContact O-N 3.22Å |
| 557 | S | 27.3 | Very low | 29.9 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 123.5 | -176.6 | 55 | 0 | 0 | 0 | 0 | 115 | ||
| 558 | S | 28.5 | Very low | 29.8 | Very low | 118 Ų | 118 | 144 Ų | 144 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 119.2 | 164.9 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | P556 | P556-S558 PolarHBondContact O-N 3.22Š|
| 559 | R | 29.7 | Very low | 29.7 | Very low | 253 Ų | 253 | 142.4 Ų | 142.4 | 96% | 0.955 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 135.3 | 164.7 | -80.6 | 178.5 | 166.7 | 172.6 | -4.3 | 109.7 | ||
| 560 | G | 26 | Very low | 29.8 | Very low | 64 Ų | 64 | 144.4 Ų | 144.4 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | 175.7 | 36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 561 | H | 27.2 | Very low | 30.1 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | 165.1 | 108.4 | 143.2 | -86.8 | -57.4 | 0 | 0 | 0 | 112.3 | ||||
| 562 | H | 27.3 | Very low | 30.4 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -129.8 | 123.6 | 153.4 | -59.6 | -70 | 0 | 0 | 0 | 105.2 | ||||
| 563 | L | 28.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | cis | 70.4 | 73 | 34.1 | -141.2 | -178.8 | 0 | 0 | 0 | 112.1 | R565 | L563-R565 HydrophobicContact CD2-CG 4.01Š| ||
| 564 | N | 26.6 | Very low | 31.3 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | trans | -109.1 | 111.2 | 164 | -92.4 | -26.6 | 0 | 0 | 0 | 109.3 | ||||
| 565 | R | 28.9 | Very low | 31.7 | Very low | 203 Ų | 203 | 134.8 Ų | 134.8 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | trans | -80.2 | 143.7 | 168.6 | -66.3 | 172.2 | 171.6 | 167.8 | -5.3 | 109.4 | L563 | L563-R565 HydrophobicContact CD2-CG 4.01Š| ||
| 566 | C | 24.1 | Very low | 32.2 | Very low | 127 Ų | 127 | 131 Ų | 131 | 86% | 0.858 | 70% | 0.697 | S | S | * | * | trans | -95.8 | 150.7 | 154.5 | -161.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 567 | R | 29.9 | Very low | 32.3 | Very low | 246 Ų | 246 | 130.5 Ų | 130.5 | 93% | 0.928 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -100.6 | 91 | -174.3 | -77.1 | 170.8 | 154.8 | 165.4 | -8.8 | 111.4 | ||
| 568 | A | 28 | Very low | 32.7 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | trans | -162.2 | 51.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 569 | C | 26.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | trans | -130.6 | 133.5 | 175.5 | -50.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 570 | H | 30.8 | Very low | 34.4 | Very low | 172 Ų | 172 | 123.5 Ų | 123.5 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | trans | -131.7 | 142.8 | 173.4 | -120.9 | 63.6 | 0 | 0 | 0 | 108.3 | ||||
| 571 | N | 34 | Very low | 34.9 | Very low | 87 Ų | 87 | 128 Ų | 128 | 47% | 0.465 | 64% | 0.643 | S | S | . | * | trans | 48.9 | 90.6 | 174.7 | -56.8 | -31.1 | 0 | 0 | 0 | 115.3 | ||||
| 572 | L | 40.8 | Very low | 35.9 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 62% | 0.618 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -92 | 129.1 | 152.8 | -71.2 | 169.5 | 0 | 0 | 0 | 108.2 | ||
| 573 | L | 45.2 | Very low | 36.4 | Very low | 42 Ų | 42 | 116.5 Ų | 116.5 | 22% | 0.22 | 59% | 0.588 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.5 | 166.8 | -74.9 | 169.6 | 0 | 0 | 0 | 108.6 | W582 R584 | L573-W582 HydrophobicContact CB-CB 4.4Å; L573-W582 HydrophobicContact CB-CE3 3.95Å; L573-W582 HydrophobicContact CD1-CB 4.49Å; L573-W582 HydrophobicContact CD2-CB 4.32Å; L573-R584 HydrophobicContact CD2-CG 3.7Å |
| 574 | T | 44.3 | Very low | 36.9 | Very low | 69 Ų | 69 | 117.7 Ų | 117.7 | 42% | 0.423 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.8 | 173.1 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | N576 E583 T585 | T574-N576 PolarHBondContact O-N 2.88Å; T574-E583 PolarHBondContact N-O 3.04Å; T574-E583 PolarHBondContact O-N 3.33Å; T574-E583 PolarHBondContact OG1-O 3.11Å; T574-T585 HydrophobicContact CG2-CG2 3.86Å |
| 575 | F | 44.5 | Very low | 37.3 | Very low | 82 Ų | 82 | 114.1 Ų | 114.1 | 36% | 0.36 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.8 | 117.5 | 173.3 | -175.8 | -111.2 | 0 | 0 | 0 | 109.7 | Q577 W582 | F575-Q577 HydrophobicContact CD1-CG 4.21Å; F575-Q577 HydrophobicContact CE1-CG 4.23Å; F575-W582 HydrophobicContact CB-CD2 4.03Å; F575-W582 HydrophobicContact CB-CE3 3.84Å; F575-W582 HydrophobicContact CB-CH2 3.81Å; F575-W582 HydrophobicContact CB-CZ2 3.97Å; F575-W582 HydrophobicContact CB-CZ3 3.75Å; F575-W582 HydrophobicContact CD2-CD2 4.02Å; F575-W582 AromaticContact CD2-CE2 3.67Å; F575-W582 HydrophobicContact CD2-CG 4.27Å; F575-W582 HydrophobicContact CD2-CZ2 4.06Å; F575-W582 AromaticContact CD2-NE1 3.68Å; F575-W582 HydrophobicContact CG-CZ2 4.25Å |
| 576 | N | 45.4 | Very low | 37.4 | Very low | 48 Ų | 48 | 111.9 Ų | 111.9 | 26% | 0.257 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 108.8 | 175.6 | 179.7 | -20.2 | 0 | 0 | 0 | 108.5 | T574 D578 S579 Q580 R581 E583 | T574-N576 PolarHBondContact O-N 2.88Å; N576-D578 VanDerWaalsContact C-N 3.29Å; N576-D578 PolarHBondContact O-N 3.1Å; N576-D578 PolarHBondContact OD1-N 3.35Å; N576-S579 VanDerWaalsContact CB-OG 3.32Å; N576-S579 WeakPolarHBondContact CB-OG 3.32Å; N576-S579 VanDerWaalsContact CG-OG 3.23Å; N576-S579 PolarHBondContact ND2-OG 2.94Å; N576-S579 PolarHBondContact O-N 2.81Å; N576-S579 PolarHBondContact OD1-N 3.06Å; N576-S579 VanDerWaalsContact OD1-N 3.16Å; N576-Q580 WeakPolarHBondContact O-CA 3.34Å; N576-Q580 PolarHBondContact O-N 2.86Å; N576-R581 PolarHBondContact N-O 3.16Å; N576-E583 HydrophobicContact CB-CG 4.39Å; N576-E583 PolarHBondContact ND2-OE1 3.17Å; N576-E583 PolarHBondContact ND2-OE2 2.82Å |
| 577 | Q | 35.5 | Very low | 37.7 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 55% | 0.547 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.8 | -33.7 | -177.9 | -65.9 | -168.9 | 10.4 | 0 | 0 | 112.3 | D492 F575 Q580 | D492-Q577 PolarHBondContact OD2-NE2 2.88Å; D492-Q577 VanDerWaalsContact OD2-NE2 3.11Å; F575-Q577 HydrophobicContact CD1-CG 4.21Å; F575-Q577 HydrophobicContact CE1-CG 4.23Å; Q577-Q580 PolarHBondContact O-NE2 2.85Å |
| 578 | D | 35.2 | Very low | 37.6 | Very low | 164 Ų | 164 | 109 Ų | 109 | 88% | 0.877 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -39.3 | -179 | -69.3 | -40.8 | 0 | 0 | 0 | 112.4 | N576 | N576-D578 VanDerWaalsContact C-N 3.29Å; N576-D578 PolarHBondContact O-N 3.1Å; N576-D578 PolarHBondContact OD1-N 3.35Å |
| 579 | S | 48.1 | Very low | 37.5 | Very low | 43 Ų | 43 | 109.7 Ų | 109.7 | 30% | 0.301 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -11.9 | -179.6 | 77.5 | 0 | 0 | 0 | 0 | 113.9 | N576 R581 E583 | N576-S579 VanDerWaalsContact CB-OG 3.32Å; N576-S579 WeakPolarHBondContact CB-OG 3.32Å; N576-S579 VanDerWaalsContact CG-OG 3.23Å; N576-S579 PolarHBondContact ND2-OG 2.94Å; N576-S579 PolarHBondContact O-N 2.81Å; N576-S579 PolarHBondContact OD1-N 3.06Å; N576-S579 VanDerWaalsContact OD1-N 3.16Å; S579-R581 PolarHBondContact O-N 3.2Å; S579-R581 PolarHBondContact OG-N 3.02Å; S579-E583 WeakPolarHBondContact CB-OE1 3.49Å; S579-E583 PolarHBondContact OG-OE1 2.97Å |
| 580 | Q | 44.9 | Very low | 37.6 | Very low | 134 Ų | 134 | 109.1 Ų | 109.1 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.2 | 37.4 | -172.4 | -65.2 | -73.4 | -58.7 | 0 | 0 | 112.5 | N576 Q577 | N576-Q580 WeakPolarHBondContact O-CA 3.34Å; N576-Q580 PolarHBondContact O-N 2.86Å; Q577-Q580 PolarHBondContact O-NE2 2.85Å |
| 581 | R | 37.8 | Very low | 37.4 | Very low | 160 Ų | 160 | 104.9 Ų | 104.9 | 60% | 0.604 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -131.4 | 152 | -178.4 | -70.3 | 167.8 | 172.8 | -110.4 | -2.3 | 111.6 | N576 S579 E583 | N576-R581 PolarHBondContact N-O 3.16Å; S579-R581 PolarHBondContact O-N 3.2Å; S579-R581 PolarHBondContact OG-N 3.02Å; R581-E583 HydrophobicContact CB-CG 4.29Å |
| 582 | W | 46.9 | Very low | 36.8 | Very low | 49 Ų | 49 | 112.4 Ų | 112.4 | 19% | 0.186 | 59% | 0.586 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 118.6 | 166.3 | -67 | 90.9 | 0 | 0 | 0 | 109.5 | W166 L573 F575 | W166-W582 AromaticContact NE1-CH2 3.86Å; W166-W582 AromaticContact NE1-CZ2 3.84Å; L573-W582 HydrophobicContact CB-CB 4.4Å; L573-W582 HydrophobicContact CB-CE3 3.95Å; L573-W582 HydrophobicContact CD1-CB 4.49Å; L573-W582 HydrophobicContact CD2-CB 4.32Å; F575-W582 HydrophobicContact CB-CD2 4.03Å; F575-W582 HydrophobicContact CB-CE3 3.84Å; F575-W582 HydrophobicContact CB-CH2 3.81Å; F575-W582 HydrophobicContact CB-CZ2 3.97Å; F575-W582 HydrophobicContact CB-CZ3 3.75Å; F575-W582 HydrophobicContact CD2-CD2 4.02Å; F575-W582 AromaticContact CD2-CE2 3.67Å; F575-W582 HydrophobicContact CD2-CG 4.27Å; F575-W582 HydrophobicContact CD2-CZ2 4.06Å; F575-W582 AromaticContact CD2-NE1 3.68Å; F575-W582 HydrophobicContact CG-CZ2 4.25Å |
| 583 | E | 37.3 | Very low | 36.1 | Very low | 75 Ų | 75 | 114.8 Ų | 114.8 | 35% | 0.35 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.5 | -173.4 | -70.3 | 173 | -171.9 | 0 | 0 | 110.5 | T574 N576 S579 R581 | T574-E583 PolarHBondContact N-O 3.04Å; T574-E583 PolarHBondContact O-N 3.33Å; T574-E583 PolarHBondContact OG1-O 3.11Å; N576-E583 HydrophobicContact CB-CG 4.39Å; N576-E583 PolarHBondContact ND2-OE1 3.17Å; N576-E583 PolarHBondContact ND2-OE2 2.82Å; S579-E583 WeakPolarHBondContact CB-OE1 3.49Å; S579-E583 PolarHBondContact OG-OE1 2.97Å; R581-E583 HydrophobicContact CB-CG 4.29Å |
| 584 | R | 39 | Very low | 35.8 | Very low | 157 Ų | 157 | 118.4 Ų | 118.4 | 59% | 0.592 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.7 | 178.8 | -92.6 | -174.6 | -82.2 | -165.1 | -5.6 | 110.8 | L573 H586 | L573-R584 HydrophobicContact CD2-CG 3.7Å; R584-H586 PolarHBondContact O-N 3.18Å |
| 585 | T | 37.1 | Very low | 34.9 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | trans | -68.2 | 92.7 | 172.4 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | T574 | T574-T585 HydrophobicContact CG2-CG2 3.86Š| ||
| 586 | H | 30.2 | Very low | 33.9 | Very low | 156 Ų | 156 | 129 Ų | 129 | 72% | 0.722 | 67% | 0.665 | S | S | * | * | trans | -83.2 | 121.5 | 169.7 | -85.2 | -95.2 | 0 | 0 | 0 | 110.8 | R584 | R584-H586 PolarHBondContact O-N 3.18Š| ||
| 587 | Q | 29.7 | Very low | 33 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | trans | -84.2 | 114.5 | 165 | -72.8 | -175.8 | -7.3 | 0 | 0 | 109.6 | ||||
| 588 | T | 27.9 | Very low | 32.5 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | trans | -101.7 | 125.9 | 163.4 | 43.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 589 | A | 26.6 | Very low | 32 | Very low | 107 Ų | 107 | 141 Ų | 141 | 88% | 0.884 | 71% | 0.706 | S | S | * | * | trans | -140.8 | 137.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 590 | A | 28.1 | Very low | 30.8 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 90% | 0.901 | 73% | 0.728 | S | S | * | * | trans | -133.5 | 149.5 | -158.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 591 | A | 26.5 | Very low | 29.9 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | trans | -162.7 | 153.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 592 | W | 22.6 | Very low | 29.3 | Very low | 245 Ų | 245 | 145.7 Ų | 145.7 | 93% | 0.928 | 74% | 0.743 | S | S | * | * | cis | -132.2 | 169.7 | 26.5 | -81.4 | 60.9 | 0 | 0 | 0 | 113.1 | ||||
| 593 | Q | 25.7 | Very low | 28.2 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -120.6 | 162.5 | 168.7 | -128.2 | 176.9 | 11.9 | 0 | 0 | 108.3 | ||||
| 594 | P | 39.6 | Very low | 27.6 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | -142.5 | -168.8 | 75.7 | 38.5 | -19.3 | 0 | 0 | 0 | 115.9 | |||||
| 595 | E | 24.4 | Very low | 26.9 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 158.2 | -169.5 | -56.3 | 162.9 | 110.9 | 0 | 0 | 114 | ||||
| 596 | E | 23.7 | Very low | 26.3 | Very low | 199 Ų | 199 | 157 Ų | 157 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | -157.4 | -178.3 | 72.3 | -103.8 | -160.8 | 143.7 | 0 | 0 | 114.4 | |||||
| 597 | S | 26.5 | Very low | 26 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -126.7 | 129.1 | -170.4 | 66.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 598 | R | 24.3 | Very low | 25.7 | Very low | 253 Ų | 253 | 156.5 Ų | 156.5 | 96% | 0.955 | 78% | 0.784 | S | S | * | * | trans | -167.9 | 178 | 147 | -111 | 158.6 | -175.4 | 178.7 | 1.1 | 114.4 | ||||
| 599 | R | 24.4 | Very low | 25.4 | Very low | 223 Ų | 223 | 161 Ų | 161 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -95.2 | 173.4 | -155.5 | -58.6 | 172.2 | 170.6 | 172.5 | -5.3 | 114.3 | ||||
| 600 | T | 24.3 | Very low | 25.3 | Very low | 122 Ų | 122 | 160.3 Ų | 160.3 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 81.9 | 113.2 | 140.8 | 30.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 601 | L | 24.9 | Very low | 25.3 | Very low | 147 Ų | 147 | 159.5 Ų | 159.5 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 80.5 | 157.7 | 128.4 | -117.1 | 69.8 | 0 | 0 | 0 | 122.9 | |||||
| 602 | E | 24.7 | Very low | 25.9 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 76.1 | 94.5 | 156.2 | -74.6 | 167.6 | -179 | 0 | 0 | 122.2 | ||||
| 603 | N | 25.6 | Very low | 26 | Very low | 141 Ų | 141 | 157 Ų | 157 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | 39.1 | 141.3 | 111.3 | -86.5 | 12 | 0 | 0 | 0 | 123.7 | |||||
| 604 | Q | 24.4 | Very low | 26 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | 82.6 | 114.3 | 140.8 | -77.9 | 179.6 | -89.4 | 0 | 0 | 122.6 | ||||
| 605 | E | 24.6 | Very low | 25.3 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 62% | 0.621 | 76% | 0.761 | S | S | * | * | 75 | 123.5 | 124.8 | -71.6 | -168.8 | 103.2 | 0 | 0 | 124.2 | |||||
| 606 | R | 24.5 | Very low | 25.3 | Very low | 189 Ų | 189 | 154.1 Ų | 154.1 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | 71.1 | 124.9 | 128.1 | -73.9 | -175.9 | 178.8 | -117.5 | 6.2 | 122.8 | |||||
| 607 | E | 23.8 | Very low | 25.5 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 56% | 0.556 | 76% | 0.761 | S | S | * | * | 78 | 109.9 | 128.8 | -69.6 | -167.3 | 82.2 | 0 | 0 | 122.5 | |||||
| 608 | R | 23.3 | Very low | 26.5 | Very low | 200 Ų | 200 | 153.9 Ų | 153.9 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | 78.7 | 147.1 | 126 | -70.7 | 179.8 | 168.9 | -135.9 | -10 | 120.1 | |||||
| 609 | R | 21.8 | Very low | 26.9 | Very low | 232 Ų | 232 | 147.7 Ų | 147.7 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | trans | 70.1 | 148.3 | 164.5 | -68.2 | 166.4 | 173.4 | 171 | -4.4 | 115.3 | ||||
| 610 | A | 22.6 | Very low | 27.1 | Very low | 92 Ų | 92 | 145 Ų | 145 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | cis | -160 | 165.8 | -21.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 611 | A | 30.1 | Very low | 28.8 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -75 | 168.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 612 | P | 38.5 | Very low | 29.3 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | -147.1 | 178 | 57.5 | 44.1 | -24.6 | 0 | 0 | 0 | 116.3 | |||||
| 613 | E | 25.3 | Very low | 29.3 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | 39.6 | 152.6 | 131.3 | -67.1 | 169.6 | -149.5 | 0 | 0 | 122.3 | ||||
| 614 | T | 24.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | cis | -161.4 | 176.9 | -1.9 | 18.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 615 | S | 24.8 | Very low | 29.6 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 121.7 | 147.3 | 133.4 | 88.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 616 | E | 25.6 | Very low | 29.9 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 59.7 | 96.4 | 152.7 | -69.5 | 174.4 | 178.5 | 0 | 0 | 123.4 | ||||
| 617 | Q | 26.3 | Very low | 30.1 | Very low | 193 Ų | 193 | 129.4 Ų | 129.4 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | 52.3 | 165.4 | 112.2 | -87.4 | -157.1 | -3.4 | 0 | 0 | 122.8 | |||||
| 618 | P | 49.2 | Very low | 30.4 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -99.5 | 178.9 | -140.9 | 41.7 | -40.5 | 0 | 0 | 0 | 115.6 | ||||
| 619 | P | 31 | Very low | 31.7 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -147.3 | 166.1 | 105.6 | 39.3 | -24.8 | 0 | 0 | 0 | 117.9 | |||||
| 620 | L | 29.4 | Very low | 32 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -130.2 | 167.7 | 153.1 | -79.4 | 169.8 | 0 | 0 | 0 | 106.5 | ||||
| 621 | P | 59.1 | Low | 32.3 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -121.5 | -154.4 | -20.2 | 33.9 | -12.4 | 0 | 0 | 0 | 110.4 | ||||
| 622 | P | 35.5 | Very low | 33.3 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -142.7 | 172.6 | 92.1 | 38.8 | -24.5 | 0 | 0 | 0 | 113.7 | |||||
| 623 | G | 26.7 | Very low | 33.6 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | cis | 149 | 117.2 | -8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 624 | G | 26.9 | Very low | 34.3 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 111.5 | 112.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 625 | A | 28.3 | Very low | 34.6 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | cis | 84.7 | 136 | 48.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 626 | V | 30 | Very low | 35 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | cis | -132 | -166.2 | 6.8 | -123.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 627 | A | 28.7 | Very low | 35.3 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | cis | -152.4 | -159.8 | 20.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 628 | F | 31.1 | Very low | 35.7 | Very low | 204 Ų | 204 | 120.2 Ų | 120.2 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -150.7 | -178.8 | -175.3 | -84.3 | -74.9 | 0 | 0 | 0 | 109.6 | ||||
| 629 | P | 51.4 | Low | 35 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | cis | -143.8 | -175.8 | 12.5 | 45.2 | -25.9 | 0 | 0 | 0 | 118.9 | ||||
| 630 | L | 27.6 | Very low | 35.4 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | 78.6 | 161.8 | 155.9 | -73.3 | 161.5 | 0 | 0 | 0 | 121.2 | ||||
| 631 | A | 28.2 | Very low | 35.9 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -158.2 | -173.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 632 | P | 51.4 | Low | 35.8 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | cis | -124.8 | -144.5 | -17.4 | 44.4 | -27.5 | 0 | 0 | 0 | 109.9 | ||||
| 633 | P | 44 | Very low | 37.2 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | cis | -114.5 | -141.5 | -43 | 41.6 | -24.4 | 0 | 0 | 0 | 109.1 | ||||
| 634 | P | 41 | Very low | 38.7 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | cis | -116.9 | 178.6 | -47.9 | 37.3 | -22.3 | 0 | 0 | 0 | 113.9 | ||||
| 635 | S | 30.6 | Very low | 40.4 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 61 | 123 | 152.6 | 65.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 636 | Q | 33.5 | Very low | 42.1 | Very low | 198 Ų | 198 | 115.5 Ų | 115.5 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | -166 | 163.3 | 122.7 | -107 | 176.3 | 21.4 | 0 | 0 | 110.6 | |||||
| 637 | A | 31.6 | Very low | 43.7 | Very low | 99 Ų | 99 | 110.8 Ų | 110.8 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | trans | -106.1 | 156 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 638 | A | 34.1 | Very low | 44.7 | Very low | 104 Ų | 104 | 115 Ų | 115 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -121.2 | 135.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 639 | E | 35.4 | Very low | 45.4 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 54% | 0.537 | 67% | 0.665 | S | S | . | * | trans | -102.9 | 152.9 | -174.3 | -56.4 | -176 | 139.4 | 0 | 0 | 111.7 | Q659 | E639-Q659 VanDerWaalsContact OE1-CG 3.25Å; E639-Q659 WeakPolarHBondContact OE1-CG 3.24Å; E639-Q659 PolarHBondContact OE1-NE2 3.2Å | ||
| 640 | Q | 39.4 | Very low | 46 | Very low | 164 Ų | 164 | 111.4 Ų | 111.4 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | trans | -109.8 | 131.1 | 178.8 | -72.6 | -173.3 | -24.3 | 0 | 0 | 112.6 | ||||
| 641 | T | 40.3 | Very low | 46.7 | Very low | 79 Ų | 79 | 106.2 Ų | 106.2 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.9 | 141.3 | 165.1 | 46.7 | 0 | 0 | 0 | 0 | 111.2 | Y657 | T641-Y657 HydrophobicContact CG2-CD1 3.97Å; T641-Y657 HydrophobicContact CG2-CE1 3.28Å; T641-Y657 HydrophobicContact CG2-CE2 4.3Å; T641-Y657 VanDerWaalsContact CG2-CZ 3.48Å |
| 642 | V | 55.3 | Low | 47.9 | Very low | 114 Ų | 114 | 108.5 Ų | 108.5 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.4 | -19.9 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 113.8 | V656 | V642-V656 PolarHBondContact N-O 2.84Å |
| 643 | G | 66.1 | Low | 48.2 | Very low | 36 Ų | 36 | 111 Ų | 111 | 37% | 0.371 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -176.4 | 172.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | R655 V656 | G643-R655 WeakPolarHBondContact O-CA 3.39Å; G643-V656 PolarHBondContact O-N 2.91Å |
| 644 | L | 57.4 | Low | 48.9 | Very low | 90 Ų | 90 | 110.9 Ų | 110.9 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.8 | 168.3 | -82 | 159.7 | 0 | 0 | 0 | 108.8 | W653 E654 R655 | L644-W653 HydrophobicContact CB-CE3 4.07Å; L644-W653 HydrophobicContact CD2-CB 4.1Å; L644-E654 CarbonylContact C-O 3.59Å; L644-E654 VanDerWaalsContact CA-O 3.27Å; L644-E654 WeakPolarHBondContact CA-O 3.48Å; L644-R655 HydrophobicContact CD2-CB 4.49Å; L644-R655 HydrophobicContact CD2-CG 3.34Å; L644-R655 HydrophobicContact CG-CG 3.92Å |
| 645 | V | 63 | Low | 49.5 | Very low | 91 Ų | 91 | 113.8 Ų | 113.8 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.7 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 109 | W653 E654 | V645-W653 CarbonylContact O-C 3.54Å; V645-W653 WeakPolarHBondContact O-CA 3.45Å; V645-E654 PolarHBondContact N-O 3.22Å; V645-E654 PolarHBondContact O-N 3.24Å |
| 646 | Y | 63.3 | Low | 50.8 | Low | 100 Ų | 100 | 112.6 Ų | 112.6 | 39% | 0.392 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 122.5 | 176.1 | -173.7 | -115.4 | 0 | 0 | 0 | 110.5 | Q648 A651 Q652 W653 | Y646-Q648 HydrophobicContact CD1-CG 3.94Å; Y646-Q648 HydrophobicContact CE1-CG 4.09Å; Y646-A651 WeakPolarHBondContact OH-CA 3.41Å; Y646-Q652 WeakPolarHBondContact CD2-O 3.33Å; Y646-W653 AromaticContact CD2-CD1 3.6Å; Y646-W653 AromaticContact CD2-CD2 3.86Å; Y646-W653 HydrophobicContact CD2-CD2 3.86Å; Y646-W653 AromaticContact CD2-CE2 3.56Å; Y646-W653 AromaticContact CD2-CG 3.9Å; Y646-W653 HydrophobicContact CD2-CG 3.9Å; Y646-W653 HydrophobicContact CD2-CZ2 4.17Å; Y646-W653 AromaticContact CD2-NE1 3.36Å; Y646-W653 AromaticContact CE2-NE1 3.87Å; Y646-W653 HydrophobicContact CG-CD2 4.29Å; Y646-W653 AromaticContact CG-CE2 4Å; Y646-W653 HydrophobicContact CG-CZ2 4.19Å |
| 647 | N | 64.3 | Low | 51.5 | Low | 48 Ų | 48 | 109.2 Ų | 109.2 | 26% | 0.257 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90 | 113.3 | 174.4 | -174.3 | -16.5 | 0 | 0 | 0 | 108.7 | D649 T650 A651 Q652 | N647-D649 VanDerWaalsContact C-N 3.33Å; N647-D649 PolarHBondContact O-N 3.01Å; N647-D649 PolarHBondContact OD1-N 3.28Å; N647-T650 WeakPolarHBondContact CB-OG1 3.47Å; N647-T650 VanDerWaalsContact CG-OG1 3.22Å; N647-T650 PolarHBondContact ND2-OG1 2.85Å; N647-A651 WeakPolarHBondContact O-CA 3.38Å; N647-A651 PolarHBondContact O-N 3.02Å; N647-Q652 PolarHBondContact N-O 3.45Å |
| 648 | Q | 50.2 | Low | 52 | Low | 167 Ų | 167 | 115 Ų | 115 | 78% | 0.78 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -25.9 | -175.3 | -66.8 | -169.6 | 4.8 | 0 | 0 | 112.9 | Y646 | Y646-Q648 HydrophobicContact CD1-CG 3.94Å; Y646-Q648 HydrophobicContact CE1-CG 4.09Å |
| 649 | D | 45.2 | Very low | 52 | Low | 158 Ų | 158 | 117.1 Ų | 117.1 | 85% | 0.845 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -20.2 | -177.4 | -58 | -44.4 | 0 | 0 | 0 | 112.8 | N647 | N647-D649 VanDerWaalsContact C-N 3.33Å; N647-D649 PolarHBondContact O-N 3.01Å; N647-D649 PolarHBondContact OD1-N 3.28Å |
| 650 | T | 63.7 | Low | 52 | Low | 75 Ų | 75 | 116.4 Ų | 116.4 | 46% | 0.46 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114 | -6.3 | 176.5 | 63.9 | 0 | 0 | 0 | 0 | 114 | N647 Q652 | N647-T650 WeakPolarHBondContact CB-OG1 3.47Å; N647-T650 VanDerWaalsContact CG-OG1 3.22Å; N647-T650 PolarHBondContact ND2-OG1 2.85Å; T650-Q652 VanDerWaalsContact C-N 3.28Å; T650-Q652 PolarHBondContact O-N 3.02Å |
| 651 | A | 43.8 | Very low | 51.7 | Low | 61 Ų | 61 | 115.2 Ų | 115.2 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 55.7 | 32.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y646 N647 | Y646-A651 WeakPolarHBondContact OH-CA 3.41Å; N647-A651 WeakPolarHBondContact O-CA 3.38Å; N647-A651 PolarHBondContact O-N 3.02Å |
| 652 | Q | 51.9 | Low | 51.2 | Low | 137 Ų | 137 | 116.6 Ų | 116.6 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.5 | 165.9 | 179.6 | -65.8 | -168.6 | 14.4 | 0 | 0 | 113 | Y646 N647 T650 | Y646-Q652 WeakPolarHBondContact CD2-O 3.33Å; N647-Q652 PolarHBondContact N-O 3.45Å; T650-Q652 VanDerWaalsContact C-N 3.28Å; T650-Q652 PolarHBondContact O-N 3.02Å |
| 653 | W | 57.3 | Low | 50 | Low | 168 Ų | 168 | 116.6 Ų | 116.6 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 122 | -178.1 | -70.4 | 88.3 | 0 | 0 | 0 | 111.4 | L644 V645 Y646 | L644-W653 HydrophobicContact CB-CE3 4.07Å; L644-W653 HydrophobicContact CD2-CB 4.1Å; V645-W653 CarbonylContact O-C 3.54Å; V645-W653 WeakPolarHBondContact O-CA 3.45Å; Y646-W653 AromaticContact CD2-CD1 3.6Å; Y646-W653 AromaticContact CD2-CD2 3.86Å; Y646-W653 HydrophobicContact CD2-CD2 3.86Å; Y646-W653 AromaticContact CD2-CE2 3.56Å; Y646-W653 AromaticContact CD2-CG 3.9Å; Y646-W653 HydrophobicContact CD2-CG 3.9Å; Y646-W653 HydrophobicContact CD2-CZ2 4.17Å; Y646-W653 AromaticContact CD2-NE1 3.36Å; Y646-W653 AromaticContact CE2-NE1 3.87Å; Y646-W653 HydrophobicContact CG-CD2 4.29Å; Y646-W653 AromaticContact CG-CE2 4Å; Y646-W653 HydrophobicContact CG-CZ2 4.19Å |
| 654 | E | 60 | Low | 48.2 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 51% | 0.514 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 150.8 | -175 | -67 | 175.1 | -160.6 | 0 | 0 | 112 | L644 V645 | L644-E654 CarbonylContact C-O 3.59Å; L644-E654 VanDerWaalsContact CA-O 3.27Å; L644-E654 WeakPolarHBondContact CA-O 3.48Å; V645-E654 PolarHBondContact N-O 3.22Å; V645-E654 PolarHBondContact O-N 3.24Å |
| 655 | R | 53.1 | Low | 46.8 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 64% | 0.638 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 139.9 | -174.5 | -69.4 | -175 | -177.3 | 175.9 | 3 | 113 | G643 L644 Y657 | G643-R655 WeakPolarHBondContact O-CA 3.39Å; L644-R655 HydrophobicContact CD2-CB 4.49Å; L644-R655 HydrophobicContact CD2-CG 3.34Å; L644-R655 HydrophobicContact CG-CG 3.92Å; R655-Y657 HydrophobicContact CB-CE2 4.45Å |
| 656 | V | 58.1 | Low | 45 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 138.9 | -179 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | V642 G643 | V642-V656 PolarHBondContact N-O 2.84Å; G643-V656 PolarHBondContact O-N 2.91Å |
| 657 | Y | 47.8 | Very low | 43.3 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 50% | 0.498 | 68% | 0.684 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 168.8 | 179.5 | -62.8 | -99.8 | 0 | 0 | 0 | 110.6 | T641 R655 | T641-Y657 HydrophobicContact CG2-CD1 3.97Å; T641-Y657 HydrophobicContact CG2-CE1 3.28Å; T641-Y657 HydrophobicContact CG2-CE2 4.3Å; T641-Y657 VanDerWaalsContact CG2-CZ 3.48Å; R655-Y657 HydrophobicContact CB-CE2 4.45Å |
| 658 | R | 42.6 | Very low | 42.7 | Very low | 219 Ų | 219 | 134.3 Ų | 134.3 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | trans | -139.8 | 111.6 | -177.2 | -165.3 | -178.3 | -165.8 | 180 | 5.9 | 112.2 | ||||
| 659 | Q | 33.9 | Very low | 42.4 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -92.7 | 165.5 | 170.4 | -83.8 | -172.1 | -10.2 | 0 | 0 | 112.4 | E639 | E639-Q659 VanDerWaalsContact OE1-CG 3.25Å; E639-Q659 WeakPolarHBondContact OE1-CG 3.24Å; E639-Q659 PolarHBondContact OE1-NE2 3.2Å | ||
| 660 | A | 36.5 | Very low | 41.5 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | -139.3 | 142.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 661 | T | 31.8 | Very low | 40 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | trans | -135.6 | 147.9 | -176.9 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 662 | A | 30.3 | Very low | 39.2 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 89% | 0.893 | 73% | 0.726 | S | S | * | * | trans | -111.5 | 174.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 663 | S | 29.9 | Very low | 38.1 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -113.4 | 137.8 | -162.4 | 54.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 664 | R | 29 | Very low | 36.7 | Very low | 250 Ų | 250 | 136.2 Ų | 136.2 | 94% | 0.943 | 74% | 0.737 | S | S | * | * | trans | 151.3 | 154 | 152.6 | -90.1 | -179.5 | 155.7 | 165.4 | -5.5 | 109.7 | ||||
| 665 | A | 26.2 | Very low | 35.2 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | cis | -174.2 | -177.6 | -21.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 666 | V | 27.1 | Very low | 34.1 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | 93 | 106.9 | 163.7 | -172.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 667 | E | 27.3 | Very low | 33.4 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 43.2 | 150.9 | 137.6 | -59.4 | -62.9 | 107.4 | 0 | 0 | 124.2 | ||||
| 668 | P | 51.6 | Low | 32.6 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -103.5 | -175.9 | -175 | 45.3 | -38.3 | 0 | 0 | 0 | 113.7 | ||||
| 669 | P | 43.2 | Very low | 32.3 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | -153.3 | 177.7 | 87.6 | 41.8 | -22.8 | 0 | 0 | 0 | 117.3 | |||||
| 670 | E | 27.4 | Very low | 32.7 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 57.9 | 139.1 | 143.5 | -77.1 | 164.6 | -165.8 | 0 | 0 | 121.9 | ||||
| 671 | A | 31.8 | Very low | 33.2 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -178.6 | -178.5 | 9.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 672 | L | 27.3 | Very low | 33.5 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | 70.9 | 106.1 | 166.4 | -57 | 175.9 | 0 | 0 | 0 | 116.8 | ||||
| 673 | S | 27.3 | Very low | 34 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | 86.3 | 141.8 | 61.4 | 76 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 674 | Q | 29.2 | Very low | 34.5 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | cis | -162.8 | 145.8 | 17.5 | -168.7 | 170.8 | -15.7 | 0 | 0 | 111.7 | ||||
| 675 | E | 27.3 | Very low | 35.1 | Very low | 186 Ų | 186 | 129.4 Ų | 129.4 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | trans | 163.6 | 164.1 | 134.2 | -88.6 | -174.9 | 171.1 | 0 | 0 | 112.6 | ||||
| 676 | M | 31.1 | Very low | 35.7 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | trans | -153.2 | 155.2 | -158.7 | -99.7 | -75.2 | -81.7 | 0 | 0 | 110 | V678 | M676-V678 HydrophobicContact CE-CG2 4.37Š| ||
| 677 | P | 42.5 | Very low | 36.4 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | -156.6 | 145.3 | 64 | 38.6 | -15.9 | 0 | 0 | 0 | 121.1 | |||||
| 678 | V | 31.2 | Very low | 37 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | trans | 73 | 125.4 | 141.3 | 177.8 | 0 | 0 | 0 | 0 | 120.7 | M676 | M676-V678 HydrophobicContact CE-CG2 4.37Š| ||
| 679 | D | 36.7 | Very low | 36.5 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | -95 | 175.6 | -174.9 | -42.6 | -96.6 | 0 | 0 | 0 | 115.9 | ||||
| 680 | P | 43 | Very low | 36.2 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | -122.8 | 159.5 | 122.7 | 36.9 | -33 | 0 | 0 | 0 | 113.9 | |||||
| 681 | P | 46.3 | Very low | 36.5 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | trans | -103.4 | 158.2 | -162.6 | 39.1 | -35.8 | 0 | 0 | 0 | 116.1 | ||||
| 682 | D | 37.5 | Very low | 36.7 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | -168.2 | -16.2 | 146.2 | -114 | -24.5 | 0 | 0 | 0 | 116.9 | D684 | D682-D684 PolarHBondContact O-N 2.96Š| ||
| 683 | E | 41.1 | Very low | 37 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 28.7 | -166.8 | -87.5 | -65.2 | 152.2 | 0 | 0 | 118 | ||
| 684 | D | 40.8 | Very low | 37.2 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 51% | 0.508 | 72% | 0.72 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.7 | 7.1 | 178.3 | -161.2 | 42.1 | 0 | 0 | 0 | 115 | D682 R688 | D682-D684 PolarHBondContact O-N 2.96Å; D684-R688 IonicContact OD2-CZ 3.35Å; D684-R688 IonicContact OD2-NH2 2.98Å; D684-R688 PolarHBondContact OD2-NH2 2.83Å |
| 685 | S | 41.5 | Very low | 37.3 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 45% | 0.448 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -94.1 | -7.3 | -176.2 | 81.4 | 0 | 0 | 0 | 0 | 115.6 | R689 | S685-R689 PolarHBondContact O-NE 3.17Å; S685-R689 PolarHBondContact O-NH2 2.83Å |
| 686 | L | 39.5 | Very low | 37.4 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 56% | 0.56 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -96.8 | -43.3 | -178.2 | -82.4 | 165.9 | 0 | 0 | 0 | 113.2 | R688 R689 | L686-R688 PolarHBondContact O-N 3.31Å; L686-R688 VanDerWaalsContact O-N 3.11Å; L686-R689 PolarHBondContact O-N 2.69Å; L686-R689 VanDerWaalsContact O-N 3.07Å |
| 687 | R | 41.3 | Very low | 37 | Very low | 220 Ų | 220 | 135.6 Ų | 135.6 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -28 | -177.7 | -124.4 | 176 | -175.4 | 139.9 | 0 | 113.2 | ||
| 688 | R | 40.3 | Very low | 36.5 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -5.6 | -179.5 | -125.4 | 173.6 | -68.3 | -175.7 | -0.8 | 115.1 | D684 L686 | D684-R688 IonicContact OD2-CZ 3.35Å; D684-R688 IonicContact OD2-NH2 2.98Å; D684-R688 PolarHBondContact OD2-NH2 2.83Å; L686-R688 PolarHBondContact O-N 3.31Å; L686-R688 VanDerWaalsContact O-N 3.11Å |
| 689 | R | 40.1 | Very low | 36.3 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -113 | 0.6 | -167.9 | -136.1 | -178.8 | -53.8 | -173.1 | 7.1 | 115.9 | S685 L686 | S685-R689 PolarHBondContact O-NE 3.17Å; S685-R689 PolarHBondContact O-NH2 2.83Å; L686-R689 PolarHBondContact O-N 2.69Å; L686-R689 VanDerWaalsContact O-N 3.07Å |
| 690 | L | 36.4 | Very low | 36.1 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -106.2 | -3.7 | -177.6 | -84.6 | 166.5 | 0 | 0 | 0 | 114.7 | ||
| 691 | L | 35.3 | Very low | 35.4 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -97.7 | -17.2 | -178 | -76.4 | 167.4 | 0 | 0 | 0 | 114.5 | ||
| 692 | E | 35.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -89.9 | -17.4 | -173.9 | -63.6 | -174.8 | 138.3 | 0 | 0 | 114.5 | S694 | E692-S694 PolarHBondContact O-N 3.02Š|
| 693 | S | 32.5 | Very low | 34 | Very low | 100 Ų | 100 | 149.1 Ų | 149.1 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -2 | -171.3 | 55.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 694 | S | 32.5 | Very low | 33.3 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 5.5 | -174.3 | -63.5 | 0 | 0 | 0 | 0 | 114.6 | E692 | E692-S694 PolarHBondContact O-N 3.02Š|
| 695 | L | 31.2 | Very low | 32.8 | Very low | 150 Ų | 150 | 146 Ų | 146 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -121.3 | 100.6 | 178.5 | -68.9 | 176.8 | 0 | 0 | 0 | 111.8 | ||||
| 696 | L | 30.1 | Very low | 32.2 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | 176.7 | 144.1 | 120.8 | -93.5 | 164.3 | 0 | 0 | 0 | 110.7 | |||||
| 697 | S | 22.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 154.5 Ų | 154.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -123.6 | 152.4 | 178.2 | -73.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 698 | L | 31.9 | Very low | 31.6 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | 51.1 | 116.8 | 153.9 | -74.9 | 160.4 | 0 | 0 | 0 | 119.7 | ||||
| 699 | S | 26 | Very low | 31.1 | Very low | 122 Ų | 122 | 151 Ų | 151 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | -171 | 172.4 | 124.5 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 700 | R | 31.8 | Very low | 30.7 | Very low | 223 Ų | 223 | 148.2 Ų | 148.2 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -133.1 | 154.5 | 168.7 | -78.9 | -170.9 | 177.9 | -174.4 | 1.5 | 108.7 | ||||
| 701 | Y | 28.5 | Very low | 30.6 | Very low | 201 Ų | 201 | 149.3 Ų | 149.3 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | trans | 63.6 | 128.3 | 175.3 | -78.2 | -88.1 | 0 | 0 | 0 | 112.9 | ||||
| 702 | D | 24.9 | Very low | 30.6 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | -145.4 | -173.8 | 72.1 | -133.4 | -33.4 | 0 | 0 | 0 | 115.7 | |||||
| 703 | M | 29.2 | Very low | 30.8 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -118.6 | 115.2 | -169.4 | -178.1 | 94.8 | 81.2 | 0 | 0 | 114.3 | ||||
| 704 | S | 28.2 | Very low | 31.1 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -158.7 | 157.2 | 150.3 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 705 | G | 30.1 | Very low | 31.6 | Very low | 80 Ų | 80 | 146 Ų | 146 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -113.3 | 139.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 706 | S | 27.2 | Very low | 32.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -141 | 161.7 | 147.7 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 707 | R | 39.6 | Very low | 32.8 | Very low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -85.7 | 121.8 | 171.4 | -67 | 156.8 | 67.2 | 156 | -0.3 | 107.5 | ||||
| 708 | D | 29 | Very low | 33.9 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -162.7 | 161.1 | 141.4 | -104.4 | -35 | 0 | 0 | 0 | 112.4 | ||||
| 709 | H | 30.2 | Very low | 34.8 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | trans | -82.3 | 128.3 | -177 | -74.4 | -98.6 | 0 | 0 | 0 | 111.6 | I711 | H709-I711 PolarHBondContact O-N 3.45Å; H709-I711 VanDerWaalsContact O-N 3.13Å | ||
| 710 | P | 31.9 | Very low | 35.8 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | trans | -66.5 | 113.4 | 158.9 | 28.3 | -31.4 | 0 | 0 | 0 | 108.2 | Y712 | P710-Y712 PolarHBondContact O-N 3.02Š| ||
| 711 | I | 35.5 | Very low | 36.4 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 120.9 | 178.3 | -64.2 | 167.1 | 0 | 0 | 0 | 108.5 | H709 | H709-I711 PolarHBondContact O-N 3.45Å; H709-I711 VanDerWaalsContact O-N 3.13Å |
| 712 | Y | 34.1 | Very low | 37.4 | Very low | 176 Ų | 176 | 121.7 Ų | 121.7 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133 | 173.6 | -82.7 | -98 | 0 | 0 | 0 | 109.6 | P710 D714 | P710-Y712 PolarHBondContact O-N 3.02Å; Y712-D714 PolarHBondContact O-N 2.82Å |
| 713 | P | 38.7 | Very low | 39 | Very low | 81 Ų | 81 | 118 Ų | 118 | 53% | 0.526 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 137 | 169.5 | 28.2 | -33.6 | 0 | 0 | 0 | 109.7 | ||
| 714 | D | 39.1 | Very low | 40 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 55% | 0.551 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 131.2 | -178.2 | -176.8 | 35.8 | 0 | 0 | 0 | 111.6 | Y712 A716 R717 | Y712-D714 PolarHBondContact O-N 2.82Å; D714-A716 PolarHBondContact O-N 3.03Å; D714-R717 PolarHBondContact O-N 3.44Å |
| 715 | P | 43.3 | Very low | 41 | Very low | 87 Ų | 87 | 114.3 Ų | 114.3 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -56.9 | -20.4 | -173.4 | -29.3 | 37.2 | 0 | 0 | 0 | 115.3 | R717 | P715-R717 PolarHBondContact O-N 2.87Š|
| 716 | A | 44.2 | Very low | 42 | Very low | 87 Ų | 87 | 114 Ų | 114 | 72% | 0.719 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -65.9 | -13 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | D714 | D714-A716 PolarHBondContact O-N 3.03Š|
| 717 | R | 43.8 | Very low | 43.5 | Very low | 220 Ų | 220 | 115.3 Ų | 115.3 | 83% | 0.83 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -105.8 | 7.6 | -175.5 | -49.3 | -164.6 | 83.2 | -177.6 | 6.4 | 114.8 | D714 P715 | D714-R717 PolarHBondContact O-N 3.44Å; P715-R717 PolarHBondContact O-N 2.87Å |
| 718 | L | 45.6 | Very low | 44.1 | Very low | 57 Ų | 57 | 110.4 Ų | 110.4 | 30% | 0.298 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -101.4 | 135.2 | 176.5 | -74 | 164.3 | 0 | 0 | 0 | 111.1 | A722 | L718-A722 HydrophobicContact CD2-CB 4.12Š|
| 719 | S | 49.3 | Very low | 45.7 | Very low | 68 Ų | 68 | 108.3 Ų | 108.3 | 48% | 0.476 | 57% | 0.568 | S | S | . | * | trans | -65.4 | 151.1 | 169.7 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | A721 A722 Y723 | S719-A721 PolarHBondContact O-N 3.37Å; S719-A722 WeakPolarHBondContact O-CB 3.44Å; S719-A722 PolarHBondContact O-N 2.95Å; S719-A722 WeakPolarHBondContact OG-CB 3.44Å; S719-A722 PolarHBondContact OG-N 2.79Å; S719-Y723 PolarHBondContact O-N 3.3Å | ||
| 720 | P | 48.4 | Very low | 46.8 | Very low | 96 Ų | 96 | 104.1 Ų | 104.1 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -55.2 | -39.8 | -178.2 | -28.6 | 35.9 | 0 | 0 | 0 | 113.2 | Y723 Y724 | P720-Y723 PolarHBondContact O-N 2.9Å; P720-Y724 WeakPolarHBondContact O-CD2 3.18Å; P720-Y724 PolarHBondContact O-N 2.79Å |
| 721 | A | 44.4 | Very low | 48.3 | Very low | 73 Ų | 73 | 106.6 Ų | 106.6 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S719 A725 | S719-A721 PolarHBondContact O-N 3.37Å; A721-A725 VanDerWaalsContact O-CB 3.31Å; A721-A725 WeakPolarHBondContact O-CB 3.16Å; A721-A725 PolarHBondContact O-N 2.9Å |
| 722 | A | 47.8 | Very low | 49.2 | Very low | 39 Ų | 39 | 102.7 Ų | 102.7 | 32% | 0.322 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L718 S719 A725 Q726 | L718-A722 HydrophobicContact CD2-CB 4.12Å; S719-A722 WeakPolarHBondContact O-CB 3.44Å; S719-A722 PolarHBondContact O-N 2.95Å; S719-A722 WeakPolarHBondContact OG-CB 3.44Å; S719-A722 PolarHBondContact OG-N 2.79Å; A722-A725 PolarHBondContact O-N 2.98Å; A722-Q726 VanDerWaalsContact O-CB 3.29Å; A722-Q726 WeakPolarHBondContact O-CB 3.42Å; A722-Q726 PolarHBondContact O-N 2.92Å |
| 723 | Y | 60.1 | Low | 50.4 | Low | 83 Ų | 83 | 97.8 Ų | 97.8 | 33% | 0.325 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 176 | -173.6 | -91.6 | 0 | 0 | 0 | 112.3 | S719 P720 Q726 R727 | S719-Y723 PolarHBondContact O-N 3.3Å; P720-Y723 PolarHBondContact O-N 2.9Å; Y723-Q726 PolarHBondContact O-N 2.85Å; Y723-R727 HydrophobicContact CE1-CG 4.14Å; Y723-R727 VanDerWaalsContact CE1-NE 3.33Å; Y723-R727 PolarHBondContact O-N 2.7Å; Y723-R727 PolarHBondContact OH-NE 2.85Å; Y723-R727 PolarHBondContact OH-NH2 3.19Å |
| 724 | Y | 49.8 | Very low | 51.3 | Low | 166 Ų | 166 | 102 Ų | 102 | 65% | 0.651 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.7 | -42.1 | 176.1 | -79.1 | -63.5 | 0 | 0 | 0 | 112.3 | P720 Q726 R727 M728 | P720-Y724 WeakPolarHBondContact O-CD2 3.18Å; P720-Y724 PolarHBondContact O-N 2.79Å; Y724-Q726 PolarHBondContact O-N 2.83Å; Y724-R727 PolarHBondContact O-N 3.47Å; Y724-M728 VanDerWaalsContact O-CB 3.26Å; Y724-M728 WeakPolarHBondContact O-CB 3.41Å; Y724-M728 PolarHBondContact O-N 2.95Å |
| 725 | A | 49.8 | Very low | 52.3 | Low | 42 Ų | 42 | 102.7 Ų | 102.7 | 35% | 0.347 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A721 A722 M728 I729 | A721-A725 VanDerWaalsContact O-CB 3.31Å; A721-A725 WeakPolarHBondContact O-CB 3.16Å; A721-A725 PolarHBondContact O-N 2.9Å; A722-A725 PolarHBondContact O-N 2.98Å; A725-M728 PolarHBondContact O-N 2.95Å; A725-I729 WeakPolarHBondContact O-CB 3.34Å; A725-I729 VanDerWaalsContact O-CG1 3.27Å; A725-I729 WeakPolarHBondContact O-CG1 3.34Å; A725-I729 PolarHBondContact O-N 2.87Å |
| 726 | Q | 49.2 | Very low | 52.7 | Low | 75 Ų | 75 | 101.6 Ų | 101.6 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 179.1 | -163.5 | 179 | 31.2 | 0 | 0 | 112 | A722 Y723 Y724 M728 I729 Q730 | A722-Q726 VanDerWaalsContact O-CB 3.29Å; A722-Q726 WeakPolarHBondContact O-CB 3.42Å; A722-Q726 PolarHBondContact O-N 2.92Å; Y723-Q726 PolarHBondContact O-N 2.85Å; Y724-Q726 PolarHBondContact O-N 2.83Å; Q726-M728 PolarHBondContact O-N 2.72Å; Q726-I729 PolarHBondContact O-N 2.98Å; Q726-Q730 WeakPolarHBondContact O-CB 3.42Å; Q726-Q730 WeakPolarHBondContact O-CG 3.33Å; Q726-Q730 PolarHBondContact O-N 3.4Å |
| 727 | R | 59.8 | Low | 53.5 | Low | 149 Ų | 149 | 100 Ų | 100 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -37.8 | 172.1 | -85.1 | -163.2 | 174 | -138.4 | 2.5 | 112.9 | Y723 Y724 Q730 Y731 | Y723-R727 HydrophobicContact CE1-CG 4.14Å; Y723-R727 VanDerWaalsContact CE1-NE 3.33Å; Y723-R727 PolarHBondContact O-N 2.7Å; Y723-R727 PolarHBondContact OH-NE 2.85Å; Y723-R727 PolarHBondContact OH-NH2 3.19Å; Y724-R727 PolarHBondContact O-N 3.47Å; R727-Q730 PolarHBondContact O-N 3.33Å; R727-Y731 WeakPolarHBondContact O-CB 3.36Å; R727-Y731 PolarHBondContact O-N 3.12Å |
| 728 | M | 51.2 | Low | 54.5 | Low | 123 Ų | 123 | 94.6 Ų | 94.6 | 61% | 0.606 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.1 | -39.3 | 179.5 | -169.1 | 153.8 | 58.3 | 0 | 0 | 111.4 | Y724 A725 Q726 Y731 L732 | Y724-M728 VanDerWaalsContact O-CB 3.26Å; Y724-M728 WeakPolarHBondContact O-CB 3.41Å; Y724-M728 PolarHBondContact O-N 2.95Å; A725-M728 PolarHBondContact O-N 2.95Å; Q726-M728 PolarHBondContact O-N 2.72Å; M728-Y731 PolarHBondContact O-N 3.16Å; M728-L732 HydrophobicContact CG-CD1 4.49Å; M728-L732 WeakPolarHBondContact O-CG 3.38Å; M728-L732 PolarHBondContact O-N 3.23Å |
| 729 | I | 63.3 | Low | 54.9 | Low | 113 Ų | 113 | 97.8 Ų | 97.8 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 170.5 | -68.2 | 163.2 | 0 | 0 | 0 | 110.8 | A725 Q726 Y731 L732 S733 | A725-I729 WeakPolarHBondContact O-CB 3.34Å; A725-I729 VanDerWaalsContact O-CG1 3.27Å; A725-I729 WeakPolarHBondContact O-CG1 3.34Å; A725-I729 PolarHBondContact O-N 2.87Å; Q726-I729 PolarHBondContact O-N 2.98Å; I729-Y731 VanDerWaalsContact C-N 3.33Å; I729-Y731 PolarHBondContact O-N 2.74Å; I729-L732 PolarHBondContact O-N 2.89Å; I729-S733 WeakPolarHBondContact O-CB 3.14Å; I729-S733 PolarHBondContact O-N 3.35Å; I729-S733 PolarHBondContact O-OG 3.2Å |
| 730 | Q | 52.8 | Low | 55 | Low | 81 Ų | 81 | 100.5 Ų | 100.5 | 38% | 0.379 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -35 | 174.6 | -75.4 | 179.8 | 5 | 0 | 0 | 113.3 | Q726 R727 S733 R734 | Q726-Q730 WeakPolarHBondContact O-CB 3.42Å; Q726-Q730 WeakPolarHBondContact O-CG 3.33Å; Q726-Q730 PolarHBondContact O-N 3.4Å; R727-Q730 PolarHBondContact O-N 3.33Å; Q730-S733 PolarHBondContact O-OG 3.05Å; Q730-R734 WeakPolarHBondContact O-CB 3.31Å; Q730-R734 PolarHBondContact O-N 3.45Å |
| 731 | Y | 63.1 | Low | 54.9 | Low | 159 Ų | 159 | 104.1 Ų | 104.1 | 62% | 0.624 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69 | -43.9 | 176 | -178.2 | -95.7 | 0 | 0 | 0 | 111.3 | R727 M728 I729 R735 | R727-Y731 WeakPolarHBondContact O-CB 3.36Å; R727-Y731 PolarHBondContact O-N 3.12Å; M728-Y731 PolarHBondContact O-N 3.16Å; I729-Y731 VanDerWaalsContact C-N 3.33Å; I729-Y731 PolarHBondContact O-N 2.74Å; Y731-R735 VanDerWaalsContact O-CB 3.26Å; Y731-R735 WeakPolarHBondContact O-CB 3.28Å; Y731-R735 PolarHBondContact O-N 2.98Å |
| 732 | L | 55.1 | Low | 55.2 | Low | 79 Ų | 79 | 103.7 Ų | 103.7 | 41% | 0.414 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 176.8 | -69.5 | 170.3 | 0 | 0 | 0 | 111.8 | M728 I729 R734 R735 D736 | M728-L732 HydrophobicContact CG-CD1 4.49Å; M728-L732 WeakPolarHBondContact O-CG 3.38Å; M728-L732 PolarHBondContact O-N 3.23Å; I729-L732 PolarHBondContact O-N 2.89Å; L732-R734 VanDerWaalsContact C-N 3.32Å; L732-R734 PolarHBondContact O-N 2.95Å; L732-R735 WeakPolarHBondContact O-CB 3.46Å; L732-R735 PolarHBondContact O-N 3.11Å; L732-R735 VanDerWaalsContact O-N 3.16Å; L732-D736 PolarHBondContact O-N 2.85Å |
| 733 | S | 59.9 | Low | 55.3 | Low | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | 177.5 | 72.5 | 0 | 0 | 0 | 0 | 112.3 | I729 Q730 S737 | I729-S733 WeakPolarHBondContact O-CB 3.14Å; I729-S733 PolarHBondContact O-N 3.35Å; I729-S733 PolarHBondContact O-OG 3.2Å; Q730-S733 PolarHBondContact O-OG 3.05Å; S733-S737 WeakPolarHBondContact O-CB 3.4Å; S733-S737 PolarHBondContact O-N 2.97Å |
| 734 | R | 57.7 | Low | 54.5 | Low | 168 Ų | 168 | 110.9 Ų | 110.9 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.1 | -41.4 | 172.6 | -165.3 | -179 | -57.4 | -160.3 | 1.8 | 111.8 | Q730 L732 S737 I738 | Q730-R734 WeakPolarHBondContact O-CB 3.31Å; Q730-R734 PolarHBondContact O-N 3.45Å; L732-R734 VanDerWaalsContact C-N 3.32Å; L732-R734 PolarHBondContact O-N 2.95Å; R734-S737 PolarHBondContact O-N 2.9Å; R734-I738 HydrophobicContact CG-CD1 4.42Å; R734-I738 WeakPolarHBondContact O-CD1 3.4Å; R734-I738 VanDerWaalsContact O-CG1 3.26Å; R734-I738 WeakPolarHBondContact O-CG1 3.39Å; R734-I738 PolarHBondContact O-N 3.12Å |
| 735 | R | 58.7 | Low | 54.3 | Low | 118 Ų | 118 | 110.9 Ų | 110.9 | 45% | 0.445 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.2 | 177.3 | 179.7 | 178.8 | 179.1 | 0.4 | 112.2 | Y731 L732 I738 R739 | Y731-R735 VanDerWaalsContact O-CB 3.26Å; Y731-R735 WeakPolarHBondContact O-CB 3.28Å; Y731-R735 PolarHBondContact O-N 2.98Å; L732-R735 WeakPolarHBondContact O-CB 3.46Å; L732-R735 PolarHBondContact O-N 3.11Å; L732-R735 VanDerWaalsContact O-N 3.16Å; R735-I738 PolarHBondContact O-N 3.05Å; R735-R739 WeakPolarHBondContact O-CG 3.43Å; R735-R739 PolarHBondContact O-N 2.92Å |
| 736 | D | 51.7 | Low | 54.1 | Low | 64 Ų | 64 | 115.3 Ų | 115.3 | 34% | 0.342 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -79.3 | -27.3 | 179.1 | -70 | -35.2 | 0 | 0 | 0 | 112.5 | L732 R739 Q740 | L732-D736 PolarHBondContact O-N 2.85Å; D736-R739 PolarHBondContact O-N 2.93Å; D736-R739 WeakPolarHBondContact OD1-CD 3.43Å; D736-R739 IonicContact OD1-CZ 3.68Å; D736-R739 IonicContact OD1-NE 3.77Å; D736-R739 IonicContact OD1-NH1 2.74Å; D736-R739 PolarHBondContact OD1-NH1 2.99Å; D736-Q740 WeakPolarHBondContact O-CB 3.2Å; D736-Q740 WeakPolarHBondContact O-CG 3.46Å; D736-Q740 PolarHBondContact O-N 2.82Å |
| 737 | S | 62.5 | Low | 53.8 | Low | 53 Ų | 53 | 118 Ų | 118 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 165.5 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | S733 R734 Q740 R741 | S733-S737 WeakPolarHBondContact O-CB 3.4Å; S733-S737 PolarHBondContact O-N 2.97Å; R734-S737 PolarHBondContact O-N 2.9Å; S737-Q740 PolarHBondContact O-N 3.48Å; S737-R741 VanDerWaalsContact O-CB 3.26Å; S737-R741 WeakPolarHBondContact O-CB 3.45Å; S737-R741 PolarHBondContact O-N 2.95Å |
| 738 | I | 62.9 | Low | 53 | Low | 108 Ų | 108 | 115.7 Ų | 115.7 | 55% | 0.554 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 173.5 | -71.2 | 162.8 | 0 | 0 | 0 | 110.8 | R734 R735 R741 S742 | R734-I738 HydrophobicContact CG-CD1 4.42Å; R734-I738 WeakPolarHBondContact O-CD1 3.4Å; R734-I738 VanDerWaalsContact O-CG1 3.26Å; R734-I738 WeakPolarHBondContact O-CG1 3.39Å; R734-I738 PolarHBondContact O-N 3.12Å; R735-I738 PolarHBondContact O-N 3.05Å; I738-R741 PolarHBondContact O-N 3.04Å; I738-S742 PolarHBondContact O-N 3.26Å; I738-S742 PolarHBondContact O-OG 2.84Å |
| 739 | R | 54.8 | Low | 52.6 | Low | 123 Ų | 123 | 116 Ų | 116 | 46% | 0.464 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.4 | -74.9 | 160.4 | 150.6 | -174.4 | -9.5 | 112.8 | R735 D736 R741 S742 L743 | R735-R739 WeakPolarHBondContact O-CG 3.43Å; R735-R739 PolarHBondContact O-N 2.92Å; D736-R739 PolarHBondContact O-N 2.93Å; D736-R739 WeakPolarHBondContact OD1-CD 3.43Å; D736-R739 IonicContact OD1-CZ 3.68Å; D736-R739 IonicContact OD1-NE 3.77Å; D736-R739 IonicContact OD1-NH1 2.74Å; D736-R739 PolarHBondContact OD1-NH1 2.99Å; R739-R741 VanDerWaalsContact C-N 3.31Å; R739-R741 PolarHBondContact O-N 3.29Å; R739-S742 WeakPolarHBondContact CA-OG 3.45Å; R739-S742 PolarHBondContact O-N 2.81Å; R739-S742 PolarHBondContact O-OG 3.22Å; R739-L743 WeakPolarHBondContact O-CB 3.44Å; R739-L743 WeakPolarHBondContact O-CG 3.32Å; R739-L743 PolarHBondContact O-N 2.79Å |
| 740 | Q | 51.8 | Low | 51.4 | Low | 125 Ų | 125 | 120.8 Ų | 120.8 | 58% | 0.584 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64 | -37.2 | 175.3 | -73.6 | -178.1 | 0.9 | 0 | 0 | 111.5 | D736 S737 L743 R744 | D736-Q740 WeakPolarHBondContact O-CB 3.2Å; D736-Q740 WeakPolarHBondContact O-CG 3.46Å; D736-Q740 PolarHBondContact O-N 2.82Å; S737-Q740 PolarHBondContact O-N 3.48Å; Q740-L743 PolarHBondContact O-N 2.99Å; Q740-R744 WeakPolarHBondContact O-CB 3.46Å; Q740-R744 WeakPolarHBondContact O-CG 3.06Å; Q740-R744 PolarHBondContact O-N 3.17Å |
| 741 | R | 45.7 | Very low | 50.5 | Low | 173 Ų | 173 | 124.3 Ų | 124.3 | 65% | 0.653 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.7 | -39.4 | 175.1 | -161.3 | 177.1 | -65 | -147.8 | 0.8 | 111.6 | S737 I738 R739 Y745 | S737-R741 VanDerWaalsContact O-CB 3.26Å; S737-R741 WeakPolarHBondContact O-CB 3.45Å; S737-R741 PolarHBondContact O-N 2.95Å; I738-R741 PolarHBondContact O-N 3.04Å; R739-R741 VanDerWaalsContact C-N 3.31Å; R739-R741 PolarHBondContact O-N 3.29Å; R741-Y745 PolarHBondContact O-N 2.97Å |
| 742 | S | 52.2 | Low | 49.1 | Very low | 63 Ų | 63 | 127 Ų | 127 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.3 | -38.7 | 173.7 | 60.8 | 0 | 0 | 0 | 0 | 113 | I738 R739 Y745 Q746 | I738-S742 PolarHBondContact O-N 3.26Å; I738-S742 PolarHBondContact O-OG 2.84Å; R739-S742 WeakPolarHBondContact CA-OG 3.45Å; R739-S742 PolarHBondContact O-N 2.81Å; R739-S742 PolarHBondContact O-OG 3.22Å; S742-Y745 WeakPolarHBondContact O-CB 3.06Å; S742-Y745 PolarHBondContact O-N 3.06Å; S742-Q746 PolarHBondContact O-N 3.09Å |
| 743 | L | 48.4 | Very low | 48 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -43 | 175.8 | -74.7 | 165.8 | 0 | 0 | 0 | 111.8 | R739 Q740 Y745 Q746 Q747 | R739-L743 WeakPolarHBondContact O-CB 3.44Å; R739-L743 WeakPolarHBondContact O-CG 3.32Å; R739-L743 PolarHBondContact O-N 2.79Å; Q740-L743 PolarHBondContact O-N 2.99Å; L743-Y745 VanDerWaalsContact C-N 3.3Å; L743-Y745 PolarHBondContact O-N 2.93Å; L743-Q746 PolarHBondContact O-N 2.91Å; L743-Q746 VanDerWaalsContact O-N 3.16Å; L743-Q747 PolarHBondContact O-N 2.75Å |
| 744 | R | 43.7 | Very low | 46.8 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -35.3 | 172.5 | -76 | -175.1 | 178.9 | -172.5 | 0.8 | 112.4 | Q740 N748 | Q740-R744 WeakPolarHBondContact O-CB 3.46Å; Q740-R744 WeakPolarHBondContact O-CG 3.06Å; Q740-R744 PolarHBondContact O-N 3.17Å; R744-N748 VanDerWaalsContact O-CB 3.28Å; R744-N748 WeakPolarHBondContact O-CB 3.43Å; R744-N748 PolarHBondContact O-N 2.98Å |
| 745 | Y | 45.4 | Very low | 45.3 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 65% | 0.647 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.8 | -41.1 | 172 | -104.6 | -91.5 | 0 | 0 | 0 | 112.5 | R741 S742 L743 H749 | R741-Y745 PolarHBondContact O-N 2.97Å; S742-Y745 WeakPolarHBondContact O-CB 3.06Å; S742-Y745 PolarHBondContact O-N 3.06Å; L743-Y745 VanDerWaalsContact C-N 3.3Å; L743-Y745 PolarHBondContact O-N 2.93Å; Y745-H749 PolarHBondContact O-N 3.34Å |
| 746 | Q | 45.8 | Very low | 43.8 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.7 | -39.5 | 176.2 | -72.5 | -173.7 | -50.1 | 0 | 0 | 113.1 | S742 L743 H749 R750 | S742-Q746 PolarHBondContact O-N 3.09Å; L743-Q746 PolarHBondContact O-N 2.91Å; L743-Q746 VanDerWaalsContact O-N 3.16Å; Q746-H749 PolarHBondContact O-N 2.84Å; Q746-R750 PolarHBondContact O-N 3.37Å; Q746-R750 VanDerWaalsContact O-N 3.1Å |
| 747 | Q | 43.8 | Very low | 42.8 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.2 | -45.5 | 173.4 | -84.1 | -178.9 | -54.5 | 0 | 0 | 111.7 | L743 H749 R750 M751 | L743-Q747 PolarHBondContact O-N 2.75Å; Q747-H749 PolarHBondContact O-N 3.14Å; Q747-R750 PolarHBondContact O-N 3.44Å; Q747-R750 VanDerWaalsContact O-N 3.14Å; Q747-M751 WeakPolarHBondContact O-CG 3.39Å; Q747-M751 PolarHBondContact O-N 3.06Å |
| 748 | N | 42.9 | Very low | 41.2 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 54% | 0.54 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.2 | -25.3 | 177.2 | -75.6 | 2.4 | 0 | 0 | 0 | 113.1 | R744 R752 | R744-N748 VanDerWaalsContact O-CB 3.28Å; R744-N748 WeakPolarHBondContact O-CB 3.43Å; R744-N748 PolarHBondContact O-N 2.98Å; N748-R752 WeakPolarHBondContact O-CB 3.24Å; N748-R752 VanDerWaalsContact O-CG 3.29Å; N748-R752 WeakPolarHBondContact O-CG 3.48Å; N748-R752 PolarHBondContact O-N 3.46Å |
| 749 | H | 41.8 | Very low | 39.5 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 60% | 0.602 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.6 | -41.6 | 169.9 | -109.6 | -67.7 | 0 | 0 | 0 | 112.6 | Y745 Q746 Q747 R752 | Y745-H749 PolarHBondContact O-N 3.34Å; Q746-H749 PolarHBondContact O-N 2.84Å; Q747-H749 PolarHBondContact O-N 3.14Å; H749-R752 PolarHBondContact O-N 2.91Å |
| 750 | R | 39.7 | Very low | 38.5 | Very low | 213 Ų | 213 | 136.6 Ų | 136.6 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.2 | -31.7 | 176 | -80.5 | -175 | 166.4 | -177.8 | -5.3 | 113.3 | Q746 Q747 R752 T753 | Q746-R750 PolarHBondContact O-N 3.37Å; Q746-R750 VanDerWaalsContact O-N 3.1Å; Q747-R750 PolarHBondContact O-N 3.44Å; Q747-R750 VanDerWaalsContact O-N 3.14Å; R750-R752 PolarHBondContact O-N 3.39Å; R750-T753 PolarHBondContact O-OG1 2.87Å |
| 751 | M | 32.8 | Very low | 38.2 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 77% | 0.768 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -1.5 | 174.2 | -65.9 | -66.7 | -72.9 | 0 | 0 | 113.6 | Q747 | Q747-M751 WeakPolarHBondContact O-CG 3.39Å; Q747-M751 PolarHBondContact O-N 3.06Å |
| 752 | R | 34.4 | Very low | 37.4 | Very low | 215 Ų | 215 | 133.4 Ų | 133.4 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 8.3 | 179.3 | -79.9 | -177.4 | 167.8 | -171 | -5.1 | 114.6 | N748 H749 R750 | N748-R752 WeakPolarHBondContact O-CB 3.24Å; N748-R752 VanDerWaalsContact O-CG 3.29Å; N748-R752 WeakPolarHBondContact O-CG 3.48Å; N748-R752 PolarHBondContact O-N 3.46Å; H749-R752 PolarHBondContact O-N 2.91Å; R750-R752 PolarHBondContact O-N 3.39Å |
| 753 | T | 32.1 | Very low | 36.8 | Very low | 98 Ų | 98 | 136 Ų | 136 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -105.8 | 11.4 | 176.9 | 50.1 | 0 | 0 | 0 | 0 | 114 | R750 | R750-T753 PolarHBondContact O-OG1 2.87Š|
| 754 | M | 33.2 | Very low | 35.8 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -143.1 | 57.8 | -179.8 | -71.1 | -64.5 | 176 | 0 | 0 | 112 | ||
| 755 | S | 27.6 | Very low | 36 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -173.9 | 90.7 | 165.3 | -82.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 756 | T | 27.6 | Very low | 35.2 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | trans | -160.2 | 106.3 | 160.8 | 47.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 757 | S | 29.9 | Very low | 34.3 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | trans | -172.4 | 150.5 | 151 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 758 | S | 30 | Very low | 33.7 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | 60.6 | 136.1 | 174.1 | 59.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 759 | D | 26.9 | Very low | 33 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | cis | -155.9 | 171 | -17.9 | -118.7 | -50.3 | 0 | 0 | 0 | 113.1 | ||||
| 760 | S | 32.9 | Very low | 32.3 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -88.6 | 170 | 174.7 | 80.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 761 | P | 44.8 | Very low | 31.8 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | -157.3 | 157.4 | 59.4 | 41.4 | -19.5 | 0 | 0 | 0 | 120.2 | |||||
| 762 | T | 29.4 | Very low | 31.6 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 61.3 | 164.9 | 145 | 52.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 763 | P | 40.4 | Very low | 31.4 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | cis | -133.4 | 175 | -29.7 | 33.2 | -13.4 | 0 | 0 | 0 | 116.2 | ||||
| 764 | N | 27.8 | Very low | 31.4 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | -19.9 | 170.9 | 153.6 | -68.9 | -0.7 | 0 | 0 | 0 | 120.8 | ||||
| 765 | P | 46.8 | Very low | 31.1 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | cis | -143.2 | -174.5 | -33.1 | 40.5 | -22.3 | 0 | 0 | 0 | 115.3 | ||||
| 766 | S | 28.6 | Very low | 31.1 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | 64.7 | 169 | 158.8 | 76.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 767 | S | 27.9 | Very low | 31.2 | Very low | 88 Ų | 88 | 124.4 Ų | 124.4 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | cis | -154.8 | 145.7 | 10.7 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 768 | T | 29.6 | Very low | 31.1 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 50.3 | 144 | 137.9 | 58.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 769 | M | 29.8 | Very low | 31.1 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | -163.7 | 148.8 | 71.2 | -70.8 | -113.5 | 73.6 | 0 | 0 | 113.6 | |||||
| 770 | D | 26.4 | Very low | 31.1 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | trans | 55.8 | 151.7 | 137.4 | -65.3 | 6.4 | 0 | 0 | 0 | 124.1 | ||||
| 771 | N | 29.9 | Very low | 30.9 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | cis | -167.7 | 169.8 | -31.4 | -157.8 | 0.2 | 0 | 0 | 0 | 109.4 | ||||
| 772 | S | 28.6 | Very low | 30.1 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 57% | 0.573 | 74% | 0.736 | S | S | * | * | trans | 37.7 | 141.2 | 143.6 | 62.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 773 | D | 30.3 | Very low | 30 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | cis | -165.7 | -174.9 | 2.8 | -123.7 | -41.4 | 0 | 0 | 0 | 114.4 | ||||
| 774 | V | 30.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 66% | 0.655 | 73% | 0.733 | S | S | * | * | trans | -26.6 | 150.3 | 170.7 | -105.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 775 | D | 27.6 | Very low | 29.4 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | -164.7 | -179.5 | 99 | -118.2 | -34.6 | 0 | 0 | 0 | 115.6 | |||||
| 776 | F | 28.1 | Very low | 28.6 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | trans | -120.1 | 153.1 | -155.2 | -136.3 | -112.2 | 0 | 0 | 0 | 116.3 | ||||
| 777 | E | 30.1 | Very low | 28.9 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | trans | 57.5 | 140.9 | 154.3 | -90.3 | 172.8 | 174.6 | 0 | 0 | 127 | ||||
| 778 | E | 27.8 | Very low | 28.9 | Very low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 74.3 | 140.1 | 145.7 | -93 | -165.9 | 151.5 | 0 | 0 | 127.5 | ||||
| 779 | L | 28.4 | Very low | 28.9 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | trans | 75.8 | 99.8 | 151.6 | -111 | 67.3 | 0 | 0 | 0 | 123.8 | ||||
| 780 | D | 27.9 | Very low | 29.6 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 60.6 | 116.8 | 131 | -69.5 | -11.2 | 0 | 0 | 0 | 125 | ||||
| 781 | D | 28.8 | Very low | 30.2 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 105.9 | 144.1 | 132.2 | -153.3 | 27.3 | 0 | 0 | 0 | 120.8 | ||||
| 782 | N | 27.1 | Very low | 30.1 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | 58.4 | 119.2 | -178.7 | -70.8 | -71.8 | 0 | 0 | 0 | 117.6 | ||||
| 783 | G | 27.1 | Very low | 30.2 | Very low | 76 Ų | 76 | 156.4 Ų | 156.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -175.8 | -12.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 784 | D | 28.5 | Very low | 30 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 63.9 | 168.9 | 173.3 | -165.3 | 17.6 | 0 | 0 | 0 | 116.7 | ||||
| 785 | R | 28 | Very low | 29.8 | Very low | 207 Ų | 207 | 160.2 Ų | 160.2 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | 59 | 96.9 | 167.7 | -66.3 | -171.9 | 174.1 | 75.9 | 3.6 | 120.8 | ||||
| 786 | A | 30.1 | Very low | 29.6 | Very low | 91 Ų | 91 | 160.2 Ų | 160.2 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | 72 | 91.9 | 119.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 787 | R | 34.6 | Very low | 29.5 | Very low | 230 Ų | 230 | 157.6 Ų | 157.6 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -151.8 | 153.7 | 135.7 | -93.7 | 134.9 | -165.5 | -133.1 | 6.2 | 108.8 | ||||
| 788 | H | 28.6 | Very low | 29.7 | Very low | 189 Ų | 189 | 154.5 Ų | 154.5 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | 178 | 168.6 | 116 | -101.3 | -82.5 | 0 | 0 | 0 | 112 | |||||
| 789 | R | 28.4 | Very low | 29.8 | Very low | 228 Ų | 228 | 152.8 Ų | 152.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -93 | 152.1 | -173.5 | -65.6 | 171.6 | 169.5 | 149.8 | -6.2 | 111.9 | ||||
| 790 | T | 45.7 | Very low | 29.6 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 8.4 | 132.9 | 150 | 58.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 791 | P | 37.5 | Very low | 29.7 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | -158.5 | 176.3 | 90.7 | 41.7 | -23.5 | 0 | 0 | 0 | 118.3 | |||||
| 792 | R | 27.8 | Very low | 29.5 | Very low | 242 Ų | 242 | 149.2 Ų | 149.2 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | 63.5 | 153.4 | 144 | -86.5 | 179.5 | 168.1 | 121.4 | -2.7 | 122.2 | ||||
| 793 | N | 30.6 | Very low | 29.7 | Very low | 167 Ų | 167 | 154 Ų | 154 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -80.8 | 148 | 172.2 | -60 | -35.1 | 0 | 0 | 0 | 112.2 | ||||
| 794 | A | 27.8 | Very low | 29.7 | Very low | 101 Ų | 101 | 160.3 Ų | 160.3 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -152.6 | 149.9 | 149 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 795 | R | 26.2 | Very low | 30 | Very low | 236 Ų | 236 | 160 Ų | 160 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | trans | -81.3 | 175.2 | 162.7 | -52.7 | 164.9 | 162.3 | 166.4 | -8.6 | 108.4 | ||||
| 796 | M | 23 | Very low | 30.1 | Very low | 157 Ų | 157 | 155.9 Ų | 155.9 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | cis | -150.4 | 171.8 | 17.8 | -82.1 | -170.2 | 65.1 | 0 | 0 | 111.6 | ||||
| 797 | S | 25.7 | Very low | 30 | Very low | 109 Ų | 109 | 162.4 Ų | 162.4 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | trans | 65.4 | 132.6 | 143.3 | 51.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 798 | A | 33.5 | Very low | 29.7 | Very low | 92 Ų | 92 | 162.8 Ų | 162.8 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | trans | -101.1 | 172 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 799 | P | 29.8 | Very low | 29.6 | Very low | 132 Ų | 132 | 163.8 Ų | 163.8 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | trans | -114.3 | -172.4 | 139.4 | 36.2 | -30.5 | 0 | 0 | 0 | 111.9 | ||||
| 800 | S | 25.7 | Very low | 29.5 | Very low | 104 Ų | 104 | 160.2 Ų | 160.2 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | -130.5 | 159.2 | -145.3 | 56.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 801 | L | 30.3 | Very low | 28.5 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | 62.1 | 114.3 | 154.3 | -70.2 | 163.8 | 0 | 0 | 0 | 119.4 | ||||
| 802 | G | 24 | Very low | 28 | Very low | 76 Ų | 76 | 162.4 Ų | 162.4 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | trans | -164.6 | 115.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 803 | R | 31.7 | Very low | 27.9 | Very low | 245 Ų | 245 | 159.5 Ų | 159.5 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -60.1 | 138.3 | -176.7 | -63.2 | 167.6 | 172 | 165.8 | -5.2 | 112.2 | ||||
| 804 | F | 26.8 | Very low | 27.7 | Very low | 210 Ų | 210 | 162.5 Ų | 162.5 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -159.5 | 154.9 | 132 | -107 | -70 | 0 | 0 | 0 | 111.2 | ||||
| 805 | V | 33.8 | Very low | 27.6 | Very low | 124 Ų | 124 | 165.6 Ų | 165.6 | 75% | 0.752 | 84% | 0.839 | S | S | * | * | trans | -122.8 | 124.3 | -174.6 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 806 | P | 30.6 | Very low | 27.6 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 79% | 0.786 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 133.9 | 160.5 | 32.4 | -29 | 0 | 0 | 0 | 110.5 | ||
| 807 | R | 27.6 | Very low | 27.8 | Very low | 229 Ų | 229 | 160.6 Ų | 160.6 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 165.6 | 172.8 | -76.6 | 179 | 170.2 | 175 | -4 | 111.2 | F809 | R807-F809 PolarHBondContact O-N 2.82Š|
| 808 | R | 28.4 | Very low | 27.9 | Very low | 237 Ų | 237 | 160 Ų | 160 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 133.8 | 171.4 | -61 | 171.8 | 179.1 | 167.4 | -2.8 | 110.3 | ||
| 809 | F | 26.2 | Very low | 27.5 | Very low | 211 Ų | 211 | 158.4 Ų | 158.4 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 129.6 | 153.9 | -91.4 | -89.3 | 0 | 0 | 0 | 108.8 | R807 | R807-F809 PolarHBondContact O-N 2.82Š|
| 810 | L | 25.8 | Very low | 27.3 | Very low | 153 Ų | 153 | 160.7 Ų | 160.7 | 80% | 0.801 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 147.8 | 171.1 | -72.2 | 152.2 | 0 | 0 | 0 | 109 | P812 | L810-P812 WeakPolarHBondContact O-CD 3.33Š|
| 811 | L | 25.3 | Very low | 27.4 | Very low | 169 Ų | 169 | 161.4 Ų | 161.4 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 123.2 | 163.7 | -82 | 156.7 | 0 | 0 | 0 | 107.9 | ||
| 812 | P | 26.9 | Very low | 27.1 | Very low | 120 Ų | 120 | 161.7 Ų | 161.7 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 126.7 | 168.3 | -10.4 | 27.8 | 0 | 0 | 0 | 109.8 | L810 | L810-P812 WeakPolarHBondContact O-CD 3.33Š|
| 813 | E | 25.5 | Very low | 27.2 | Very low | 181 Ų | 181 | 165.7 Ų | 165.7 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 137.9 | 159.9 | -61.4 | 171.9 | 115.3 | 0 | 0 | 108.9 | ||
| 814 | Y | 26.2 | Very low | 27 | Very low | 229 Ų | 229 | 166.1 Ų | 166.1 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -170.2 | 106.4 | 150 | -104.4 | -66 | 0 | 0 | 0 | 110 | ||||
| 815 | L | 25.8 | Very low | 27.1 | Very low | 167 Ų | 167 | 158.6 Ų | 158.6 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -134.8 | 119 | 159.1 | -84.4 | 176.6 | 0 | 0 | 0 | 107.5 | ||||
| 816 | P | 27 | Very low | 26.9 | Very low | 125 Ų | 125 | 160 Ų | 160 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -74.7 | 147 | -176.9 | 30.1 | -34.4 | 0 | 0 | 0 | 112 | ||||
| 817 | Y | 27.1 | Very low | 26.9 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 64% | 0.635 | 78% | 0.78 | S | S | * | * | trans | -108.1 | 145.7 | 173.7 | -129.7 | -82.8 | 0 | 0 | 0 | 109.2 | F821 | Y817-F821 AromaticContact CD1-CE2 3.85Å; Y817-F821 HydrophobicContact CD1-CE2 3.85Å; Y817-F821 HydrophobicContact CE1-CE2 4.09Å; Y817-F821 HydrophobicContact CE1-CZ 4.41Å | ||
| 818 | A | 27.5 | Very low | 27.2 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | 151.3 | 141.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 819 | G | 25.1 | Very low | 27.5 | Very low | 59 Ų | 59 | 144.1 Ų | 144.1 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | cis | -178.2 | 144.9 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 820 | I | 25.6 | Very low | 27.8 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 92% | 0.923 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -126 | 99.7 | 142.3 | -59.9 | 179 | 0 | 0 | 0 | 104 | ||
| 821 | F | 27.9 | Very low | 28 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 53% | 0.526 | 72% | 0.719 | S | S | . | * | trans | -135.7 | 129.9 | -176.1 | -96.6 | -63.2 | 0 | 0 | 0 | 109.5 | Y817 | Y817-F821 AromaticContact CD1-CE2 3.85Å; Y817-F821 HydrophobicContact CD1-CE2 3.85Å; Y817-F821 HydrophobicContact CE1-CE2 4.09Å; Y817-F821 HydrophobicContact CE1-CZ 4.41Å | ||
| 822 | H | 25.2 | Very low | 28.1 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 84% | 0.838 | 71% | 0.705 | S | S | * | * | trans | -166.6 | 129.8 | 145.6 | -99.1 | 63 | 0 | 0 | 0 | 104.4 | ||||
| 823 | E | 25.4 | Very low | 28.5 | Very low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | S | Bend | cis | -154.1 | 159.9 | -20.7 | -152.8 | 176.1 | -148.1 | 0 | 0 | 107.8 | ||
| 824 | R | 26.4 | Very low | 28.8 | Very low | 253 Ų | 253 | 122 Ų | 122 | 96% | 0.955 | 66% | 0.66 | S | S | * | * | trans | 66.9 | 116.3 | -161.1 | -51.2 | 179.6 | 177 | -169.9 | -3.2 | 112.5 | ||||
| 825 | G | 29.7 | Very low | 29 | Very low | 53 Ų | 53 | 114.9 Ų | 114.9 | 55% | 0.546 | 64% | 0.64 | S | S | . | * | trans | -121.9 | 147.5 | -166 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 826 | Q | 28.9 | Very low | 29.3 | Very low | 152 Ų | 152 | 109.8 Ų | 109.8 | 71% | 0.71 | 61% | 0.614 | S | S | * | * | trans | -145.1 | 92.3 | 152.2 | -84.4 | -153.9 | -9.2 | 0 | 0 | 110.5 | G828 | Q826-G828 VanDerWaalsContact C-N 3.29Å; Q826-G828 PolarHBondContact O-N 2.91Å; Q826-G828 VanDerWaalsContact O-N 3.1Å | ||
| 827 | P | 32.3 | Very low | 29.8 | Very low | 78 Ų | 78 | 109 Ų | 109 | 51% | 0.506 | 60% | 0.595 | S | S | . | * | trans | -86.5 | 48.4 | -176.3 | 35.2 | -35.6 | 0 | 0 | 0 | 113.9 | ||||
| 828 | G | 32.8 | Very low | 30 | Very low | 46 Ų | 46 | 105.7 Ų | 105.7 | 47% | 0.474 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -101.9 | -46 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q826 T831 | Q826-G828 VanDerWaalsContact C-N 3.29Å; Q826-G828 PolarHBondContact O-N 2.91Å; Q826-G828 VanDerWaalsContact O-N 3.1Å; G828-T831 PolarHBondContact O-OG1 2.98Å |
| 829 | L | 35.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 107.3 Ų | 107.3 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -82.8 | -33.6 | -166.8 | -71.4 | 164.3 | 0 | 0 | 0 | 114.2 | S833 | L829-S833 VanDerWaalsContact O-CB 3.23Å; L829-S833 WeakPolarHBondContact O-CB 3.46Å; L829-S833 PolarHBondContact O-N 2.73Å; L829-S833 PolarHBondContact O-OG 3.02Å; L829-S833 VanDerWaalsContact O-OG 3.06Å |
| 830 | A | 30.9 | Very low | 30.8 | Very low | 73 Ų | 73 | 106 Ų | 106 | 60% | 0.603 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.8 | -47.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S833 S834 | A830-S833 PolarHBondContact O-OG 2.9Å; A830-S834 WeakPolarHBondContact O-CB 3.42Å; A830-S834 PolarHBondContact O-N 3.15Å |
| 831 | T | 30.2 | Very low | 31.2 | Very low | 74 Ų | 74 | 98.7 Ų | 98.7 | 45% | 0.454 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -46 | 178.2 | 46.2 | 0 | 0 | 0 | 0 | 111.9 | G828 S833 S834 V835 | G828-T831 PolarHBondContact O-OG1 2.98Å; T831-S833 VanDerWaalsContact C-N 3.32Å; T831-S833 PolarHBondContact O-N 2.9Å; T831-S834 PolarHBondContact O-N 2.81Å; T831-S834 VanDerWaalsContact O-N 3.11Å; T831-S834 PolarHBondContact O-OG 2.91Å; T831-V835 WeakPolarHBondContact O-CG2 3.39Å; T831-V835 PolarHBondContact O-N 3.27Å |
| 832 | H | 28.7 | Very low | 31.8 | Very low | 124 Ų | 124 | 94.6 Ų | 94.6 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.7 | -34.8 | 179.7 | -146.2 | -51.1 | 0 | 0 | 0 | 112.2 | N836 | H832-N836 WeakPolarHBondContact O-CB 3.31Å; H832-N836 PolarHBondContact O-N 2.98Å; H832-N836 PolarHBondContact O-OD1 2.87Å |
| 833 | S | 34.2 | Very low | 31.9 | Very low | 44 Ų | 44 | 89.3 Ų | 89.3 | 31% | 0.308 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.1 | -24.8 | 172.5 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | L829 A830 T831 R837 | L829-S833 VanDerWaalsContact O-CB 3.23Å; L829-S833 WeakPolarHBondContact O-CB 3.46Å; L829-S833 PolarHBondContact O-N 2.73Å; L829-S833 PolarHBondContact O-OG 3.02Å; L829-S833 VanDerWaalsContact O-OG 3.06Å; A830-S833 PolarHBondContact O-OG 2.9Å; T831-S833 VanDerWaalsContact C-N 3.32Å; T831-S833 PolarHBondContact O-N 2.9Å; S833-R837 VanDerWaalsContact O-CB 3.25Å; S833-R837 WeakPolarHBondContact O-CB 3.49Å; S833-R837 VanDerWaalsContact O-CG 3.24Å; S833-R837 WeakPolarHBondContact O-CG 3.22Å; S833-R837 PolarHBondContact O-N 3.16Å; S833-R837 PolarHBondContact O-NE 3.31Å; S833-R837 PolarHBondContact OG-NH2 2.81Å |
| 834 | S | 32.2 | Very low | 32 | Very low | 55 Ų | 55 | 89.8 Ų | 89.8 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -79.7 | -38.4 | 174.9 | 74.3 | 0 | 0 | 0 | 0 | 111.5 | A830 T831 R837 V838 | A830-S834 WeakPolarHBondContact O-CB 3.42Å; A830-S834 PolarHBondContact O-N 3.15Å; T831-S834 PolarHBondContact O-N 2.81Å; T831-S834 VanDerWaalsContact O-N 3.11Å; T831-S834 PolarHBondContact O-OG 2.91Å; S834-R837 CarbonylContact O-C 3.6Å; S834-R837 PolarHBondContact O-N 2.78Å; S834-V838 WeakPolarHBondContact O-CG2 3.43Å; S834-V838 PolarHBondContact O-N 2.83Å |
| 835 | V | 29.5 | Very low | 32.2 | Very low | 78 Ų | 78 | 81.4 Ų | 81.4 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 172.1 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | T831 R837 V838 L839 | T831-V835 WeakPolarHBondContact O-CG2 3.39Å; T831-V835 PolarHBondContact O-N 3.27Å; V835-R837 VanDerWaalsContact C-N 3.29Å; V835-R837 PolarHBondContact O-N 2.9Å; V835-V838 PolarHBondContact O-N 3.45Å; V835-V838 VanDerWaalsContact O-N 3.11Å; V835-L839 HydrophobicContact CG1-CD1 3.96Å; V835-L839 HydrophobicContact CG1-CG 4.46Å; V835-L839 WeakPolarHBondContact O-CG 3.44Å; V835-L839 PolarHBondContact O-N 2.81Å |
| 836 | N | 33.6 | Very low | 32.3 | Very low | 61 Ų | 61 | 84.1 Ų | 84.1 | 33% | 0.326 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 173.1 | -75.6 | 12 | 0 | 0 | 0 | 111.5 | H832 L839 A840 | H832-N836 WeakPolarHBondContact O-CB 3.31Å; H832-N836 PolarHBondContact O-N 2.98Å; H832-N836 PolarHBondContact O-OD1 2.87Å; N836-L839 PolarHBondContact O-N 3.25Å; N836-A840 VanDerWaalsContact O-CB 3.25Å; N836-A840 WeakPolarHBondContact O-CB 3.04Å; N836-A840 PolarHBondContact O-N 3.23Å |
| 837 | R | 36.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 79.1 Ų | 79.1 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 171.4 | -84.5 | 178.3 | -81.9 | -173.2 | -6.8 | 112.6 | S833 S834 V835 A840 G841 A842 | S833-R837 VanDerWaalsContact O-CB 3.25Å; S833-R837 WeakPolarHBondContact O-CB 3.49Å; S833-R837 VanDerWaalsContact O-CG 3.24Å; S833-R837 WeakPolarHBondContact O-CG 3.22Å; S833-R837 PolarHBondContact O-N 3.16Å; S833-R837 PolarHBondContact O-NE 3.31Å; S833-R837 PolarHBondContact OG-NH2 2.81Å; S834-R837 CarbonylContact O-C 3.6Å; S834-R837 PolarHBondContact O-N 2.78Å; V835-R837 VanDerWaalsContact C-N 3.29Å; V835-R837 PolarHBondContact O-N 2.9Å; R837-A840 CarbonylContact O-C 3.46Å; R837-G841 CarbonylContact O-C 3.55Å; R837-G841 VanDerWaalsContact O-CA 3.28Å; R837-G841 WeakPolarHBondContact O-CA 3.43Å; R837-G841 PolarHBondContact O-N 3.15Å; R837-A842 HydrophobicContact CB-CB 4.4Å; R837-A842 HydrophobicContact CG-CB 4.3Å; R837-A842 PolarHBondContact O-N 3.45Å |
| 838 | V | 31.8 | Very low | 33.1 | Very low | 92 Ų | 92 | 79.4 Ų | 79.4 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.4 | -38.9 | 176.2 | 169 | 0 | 0 | 0 | 0 | 111.7 | S834 V835 G841 | S834-V838 WeakPolarHBondContact O-CG2 3.43Å; S834-V838 PolarHBondContact O-N 2.83Å; V835-V838 PolarHBondContact O-N 3.45Å; V835-V838 VanDerWaalsContact O-N 3.11Å; V838-G841 VanDerWaalsContact O-CA 3.28Å; V838-G841 WeakPolarHBondContact O-CA 3.36Å; V838-G841 PolarHBondContact O-N 3.48Å |
| 839 | L | 33.9 | Very low | 33.4 | Very low | 130 Ų | 130 | 80 Ų | 80 | 68% | 0.681 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.5 | -37.9 | 177 | -67.8 | 171.3 | 0 | 0 | 0 | 112.6 | V835 N836 G841 | V835-L839 HydrophobicContact CG1-CD1 3.96Å; V835-L839 HydrophobicContact CG1-CG 4.46Å; V835-L839 WeakPolarHBondContact O-CG 3.44Å; V835-L839 PolarHBondContact O-N 2.81Å; N836-L839 PolarHBondContact O-N 3.25Å; L839-G841 PolarHBondContact O-N 2.98Å |
| 840 | A | 34.4 | Very low | 33.7 | Very low | 33 Ų | 33 | 74.5 Ų | 74.5 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N836 R837 R965 | N836-A840 VanDerWaalsContact O-CB 3.25Å; N836-A840 WeakPolarHBondContact O-CB 3.04Å; N836-A840 PolarHBondContact O-N 3.23Å; R837-A840 CarbonylContact O-C 3.46Å; A840-R965 PolarHBondContact O-NE 2.95Å; A840-R965 PolarHBondContact O-NH2 2.99Å |
| 841 | G | 35 | Very low | 34.4 | Very low | 25 Ų | 25 | 71.7 Ų | 71.7 | 26% | 0.258 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 43.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R837 V838 L839 R965 | R837-G841 CarbonylContact O-C 3.55Å; R837-G841 VanDerWaalsContact O-CA 3.28Å; R837-G841 WeakPolarHBondContact O-CA 3.43Å; R837-G841 PolarHBondContact O-N 3.15Å; V838-G841 VanDerWaalsContact O-CA 3.28Å; V838-G841 WeakPolarHBondContact O-CA 3.36Å; V838-G841 PolarHBondContact O-N 3.48Å; L839-G841 PolarHBondContact O-N 2.98Å; G841-R965 VanDerWaalsContact C-NH2 3.3Å; G841-R965 PolarHBondContact O-NH2 3.32Å |
| 842 | A | 40.1 | Very low | 34.9 | Very low | 35 Ų | 35 | 69 Ų | 69 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | trans | -98.2 | 64.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R837 S853 | R837-A842 HydrophobicContact CB-CB 4.4Å; R837-A842 HydrophobicContact CG-CB 4.3Å; R837-A842 PolarHBondContact O-N 3.45Å; A842-S853 VanDerWaalsContact CB-CB 3.49Å | ||
| 843 | S | 26.6 | Very low | 35.2 | Very low | 69 Ų | 69 | 63.8 Ų | 63.8 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | trans | -153.4 | 153.3 | 160.6 | 58.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 844 | I | 28.5 | Very low | 35.6 | Very low | 171 Ų | 171 | 67.2 Ų | 67.2 | 88% | 0.877 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 76.6 | 113.1 | -179.7 | -47.2 | 172.4 | 0 | 0 | 0 | 115.4 | E846 | I844-E846 PolarHBondContact O-N 3.27Š|
| 845 | G | 30.8 | Very low | 36.4 | Very low | 78 Ų | 78 | 66.4 Ų | 66.4 | 80% | 0.804 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 100.8 | -77.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 846 | E | 30.3 | Very low | 37.3 | Very low | 110 Ų | 110 | 65.3 Ų | 65.3 | 51% | 0.514 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -100.4 | -5.8 | -154.5 | -68.4 | -167.2 | 170.7 | 0 | 0 | 116.6 | R54 I844 Q848 R1008 | R54-E846 PolarHBondContact NH1-O 3.06Å; I844-E846 PolarHBondContact O-N 3.27Å; E846-Q848 VanDerWaalsContact C-N 3.34Å; E846-Q848 PolarHBondContact O-N 3.32Å; E846-R1008 IonicContact OE1-NH2 2.66Å; E846-R1008 IonicContact OE2-CZ 3.75Å; E846-R1008 IonicContact OE2-NH1 3.79Å; E846-R1008 PolarHBondContact OE2-NH1 3.45Å; E846-R1008 IonicContact OE2-NH2 3.04Å; E846-R1008 PolarHBondContact OE2-NH2 3.28Å |
| 847 | G | 36 | Very low | 38.5 | Very low | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | trans | 75.4 | 14.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S849 | G847-S849 VanDerWaalsContact C-N 3.27Å; G847-S849 PolarHBondContact O-N 3.13Å; G847-S849 VanDerWaalsContact O-N 3.08Å | ||
| 848 | Q | 42.3 | Very low | 40.3 | Very low | 84 Ų | 84 | 65.7 Ų | 65.7 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | trans | -83.1 | 66.3 | 172.4 | -63.7 | -161.9 | -40.6 | 0 | 0 | 111.5 | E846 | E846-Q848 VanDerWaalsContact C-N 3.34Å; E846-Q848 PolarHBondContact O-N 3.32Å | ||
| 849 | S | 40 | Very low | 42.8 | Very low | 57 Ų | 57 | 62.6 Ų | 62.6 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | trans | -82.3 | 115.4 | 173.3 | -170.6 | 0 | 0 | 0 | 0 | 110.6 | G847 | G847-S849 VanDerWaalsContact C-N 3.27Å; G847-S849 PolarHBondContact O-N 3.13Å; G847-S849 VanDerWaalsContact O-N 3.08Å | ||
| 850 | A | 42.2 | Very low | 45.4 | Very low | 16 Ų | 16 | 57.7 Ų | 57.7 | 13% | 0.132 | 37% | 0.37 | C | S | . | . | trans | -86 | 141.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | A852 S853 N1030 | A850-A852 HydrophobicContact CB-CB 4.14Å; A850-A852 PolarHBondContact O-N 2.88Å; A850-S853 PolarHBondContact O-N 3.08Å; A850-S853 PolarHBondContact O-OG 2.98Å; A850-N1030 HydrophobicContact CB-CB 3.72Å | ||
| 851 | V | 45.1 | Very low | 48.2 | Very low | 14 Ų | 14 | 56.3 Ų | 56.3 | 9% | 0.085 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -54.4 | -24 | 177 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | F57 W100 S853 I946 N1013 | F57-V851 HydrophobicContact CD1-CG2 3.78Å; F57-V851 HydrophobicContact CE1-CG2 4.25Å; W100-V851 HydrophobicContact CH2-CG2 4.26Å; V851-S853 PolarHBondContact O-N 2.73Å; V851-S853 VanDerWaalsContact O-N 3.1Å; V851-I946 HydrophobicContact CG1-CG2 4.41Å; V851-N1013 HydrophobicContact CB-CB 4.4Å; V851-N1013 HydrophobicContact CG2-CB 3.83Å; V851-N1013 WeakPolarHBondContact CG2-OD1 3.43Å; V851-N1013 PolarHBondContact N-OD1 2.96Å |
| 852 | A | 40.2 | Very low | 51.1 | Low | 17 Ų | 17 | 55.1 Ų | 55.1 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -53.2 | -18.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | A850 N854 I855 I946 A962 | A850-A852 HydrophobicContact CB-CB 4.14Å; A850-A852 PolarHBondContact O-N 2.88Å; A852-N854 VanDerWaalsContact C-N 3.28Å; A852-N854 PolarHBondContact O-N 3.44Å; A852-I855 VanDerWaalsContact O-CD1 3.26Å; A852-I855 WeakPolarHBondContact O-CD1 3.47Å; A852-I855 WeakPolarHBondContact O-CG1 3.44Å; A852-I946 HydrophobicContact CB-CD1 3.48Å; A852-I946 VanDerWaalsContact CB-CD1 3.48Å; A852-A962 HydrophobicContact CB-CB 3.85Å |
| 853 | S | 36.3 | Very low | 53.7 | Low | 16 Ų | 16 | 53.4 Ų | 53.4 | 11% | 0.112 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -74.4 | -14.4 | -171.3 | 66.1 | 0 | 0 | 0 | 0 | 115.3 | A842 A850 V851 | A842-S853 VanDerWaalsContact CB-CB 3.49Å; A850-S853 PolarHBondContact O-N 3.08Å; A850-S853 PolarHBondContact O-OG 2.98Å; V851-S853 PolarHBondContact O-N 2.73Å; V851-S853 VanDerWaalsContact O-N 3.1Å |
| 854 | N | 41.1 | Very low | 57 | Low | 115 Ų | 115 | 51.3 Ų | 51.3 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | trans | -105.2 | 47.5 | -175.1 | -68.2 | 4.1 | 0 | 0 | 0 | 111.9 | A852 A856 | A852-N854 VanDerWaalsContact C-N 3.28Å; A852-N854 PolarHBondContact O-N 3.44Å; N854-A856 PolarHBondContact O-N 3.27Å | ||
| 855 | I | 49.6 | Very low | 60.1 | Low | 39 Ų | 39 | 43.8 Ų | 43.8 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | trans | -76 | 76.6 | 170 | -55.4 | 149.7 | 0 | 0 | 0 | 108.4 | A852 Y890 N944 | A852-I855 VanDerWaalsContact O-CD1 3.26Å; A852-I855 WeakPolarHBondContact O-CD1 3.47Å; A852-I855 WeakPolarHBondContact O-CG1 3.44Å; I855-Y890 HydrophobicContact CG1-CE1 4.34Å; I855-N944 VanDerWaalsContact CD1-ND2 3.33Å; I855-N944 WeakPolarHBondContact CD1-ND2 3.4Å | ||
| 856 | A | 48.6 | Very low | 63.1 | Low | 54 Ų | 54 | 44.4 Ų | 44.4 | 45% | 0.446 | 26% | 0.259 | S | S | . | . | trans | -78.3 | 152.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109 | N854 T858 | N854-A856 PolarHBondContact O-N 3.27Å; A856-T858 HydrophobicContact CB-CG2 3.99Å; A856-T858 PolarHBondContact O-N 3.31Å; A856-T858 VanDerWaalsContact O-N 3.1Å | ||
| 857 | N | 58.8 | Low | 66 | Low | 118 Ų | 118 | 39.2 Ų | 39.2 | 63% | 0.631 | 23% | 0.234 | S | C | * | . | trans | -76.5 | 16.9 | 172.4 | -77.3 | -17.9 | 0 | 0 | 0 | 113 | T859 | N857-T859 PolarHBondContact O-N 3.34Å; N857-T859 VanDerWaalsContact O-N 3.15Å | ||
| 858 | T | 74.5 | Confident | 68.6 | Low | 59 Ų | 59 | 40.3 Ų | 40.3 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | trans | -59.4 | 112.7 | 171.7 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | A856 | A856-T858 HydrophobicContact CB-CG2 3.99Å; A856-T858 PolarHBondContact O-N 3.31Å; A856-T858 VanDerWaalsContact O-N 3.1Å | ||
| 859 | T | 84.1 | Confident | 70.7 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 17% | 0.172 | 24% | 0.239 | C | C | . | . | trans | -89.4 | 155 | 163.7 | 59.8 | 0 | 0 | 0 | 0 | 109.9 | N202 N857 N886 C887 P909 | N202-T859 PolarHBondContact N-O 3.24Å; N202-T859 PolarHBondContact ND2-OG1 2.92Å; N202-T859 VanDerWaalsContact ND2-OG1 3.12Å; N857-T859 PolarHBondContact O-N 3.34Å; N857-T859 VanDerWaalsContact O-N 3.15Å; T859-N886 VanDerWaalsContact CB-OD1 3.25Å; T859-N886 WeakPolarHBondContact CB-OD1 3.34Å; T859-N886 HydrophobicContact CG2-CB 4.41Å; T859-N886 PolarHBondContact OG1-OD1 2.85Å; T859-C887 WeakPolarHBondContact CA-O 3.31Å; T859-P909 HydrophobicContact CG2-CG 4.15Å | ||
| 860 | Y | 89.1 | Confident | 72.8 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 11% | 0.106 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.5 | 176.1 | -55 | -98.7 | 0 | 0 | 0 | 109.1 | R185 I200 V201 C887 I889 | R185-Y860 HydrophobicContact CB-CD1 3.73Å; R185-Y860 HydrophobicContact CB-CE1 3.39Å; R185-Y860 HydrophobicContact CG-CD1 4.3Å; R185-Y860 HydrophobicContact CG-CE1 3.69Å; I200-Y860 CarbonylContact O-C 3.48Å; I200-Y860 WeakPolarHBondContact O-CA 3.18Å; I200-Y860 WeakPolarHBondContact O-CB 3.43Å; V201-Y860 HydrophobicContact CB-CD1 4.4Å; V201-Y860 HydrophobicContact CB-CE1 4.43Å; V201-Y860 HydrophobicContact CG2-CD1 3.78Å; V201-Y860 HydrophobicContact CG2-CE1 3.38Å; Y860-C887 PolarHBondContact N-O 2.86Å; Y860-C887 PolarHBondContact O-N 3.38Å; Y860-C887 PolarHBondContact O-SG 2.94Å; Y860-I889 HydrophobicContact CD2-CB 3.95Å; Y860-I889 HydrophobicContact CD2-CG1 4.12Å; Y860-I889 HydrophobicContact CE2-CB 4.11Å; Y860-I889 WeakPolarHBondContact CE2-O 3.3Å; Y860-I889 HydrophobicContact CG-CB 4.37Å; Y860-I889 HydrophobicContact CG-CG1 4.26Å |
| 861 | R | 93.2 | Very high | 75 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 142.6 | 160.2 | 57.1 | 178.2 | -172 | -102.2 | 10.2 | 109.2 | E182 A199 I200 N202 A878 V882 V884 | E182-R861 VanDerWaalsContact CD-NH1 3.29Å; E182-R861 VanDerWaalsContact CD-NH2 3.33Å; E182-R861 IonicContact OE1-CZ 3.53Å; E182-R861 IonicContact OE1-NH1 3.87Å; E182-R861 PolarHBondContact OE1-NH1 2.96Å; E182-R861 IonicContact OE1-NH2 3.78Å; E182-R861 PolarHBondContact OE1-NH2 3.49Å; E182-R861 IonicContact OE2-CZ 3.66Å; E182-R861 IonicContact OE2-NH1 2.83Å; E182-R861 IonicContact OE2-NH2 2.7Å; E182-R861 PolarHBondContact OE2-NH2 3.28Å; A199-R861 CarbonylContact C-O 3.56Å; A199-R861 VanDerWaalsContact CA-O 3.31Å; A199-R861 WeakPolarHBondContact CA-O 3.27Å; I200-R861 HydrophobicContact CB-CG 4.11Å; I200-R861 PolarHBondContact N-O 3.37Å; I200-R861 WeakPolarHBondContact O-CG 3Å; I200-R861 PolarHBondContact O-N 3.05Å; N202-R861 VanDerWaalsContact OD1-CB 3.3Å; N202-R861 WeakPolarHBondContact OD1-CB 3.21Å; N202-R861 WeakPolarHBondContact OD1-CG 3.44Å; N202-R861 PolarHBondContact OD1-N 3.21Å; R861-A878 WeakPolarHBondContact CD-O 3.5Å; R861-A878 VanDerWaalsContact CZ-CA 3.49Å; R861-A878 VanDerWaalsContact CZ-CB 3.46Å; R861-V882 HydrophobicContact CB-CG1 4.39Å; R861-V884 CarbonylContact C-O 3.55Å; R861-V884 WeakPolarHBondContact CA-O 3.43Å |
| 862 | L | 95.4 | Very high | 77.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.8 | 161.7 | -63.3 | -174.4 | 0 | 0 | 0 | 108.6 | L197 T198 A199 V882 L883 V884 L904 V906 | L197-L862 HydrophobicContact CD1-CB 4.06Å; L197-L862 HydrophobicContact CD1-CD1 4.27Å; T198-L862 WeakPolarHBondContact O-CA 3.4Å; A199-L862 HydrophobicContact CB-CD2 3.4Å; A199-L862 VanDerWaalsContact CB-CD2 3.4Å; L862-V882 CarbonylContact O-C 3.55Å; L862-V882 WeakPolarHBondContact O-CA 3.28Å; L862-L883 PolarHBondContact O-N 3.37Å; L862-V884 HydrophobicContact CB-CB 4.02Å; L862-V884 HydrophobicContact CB-CG2 4.42Å; L862-V884 HydrophobicContact CD1-CB 4.07Å; L862-V884 HydrophobicContact CD1-CG2 3.99Å; L862-V884 HydrophobicContact CG-CB 4.14Å; L862-V884 PolarHBondContact N-O 2.86Å; L862-V884 PolarHBondContact O-N 3.3Å; L862-L904 HydrophobicContact CD1-CD2 3.87Å; L862-V906 HydrophobicContact CD1-CB 4.42Å; L862-V906 HydrophobicContact CD1-CG1 4.32Å; L862-V906 HydrophobicContact CD1-CG2 4.17Å |
| 863 | Q | 95.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.1 | 172.9 | -65.7 | 169.8 | -86.3 | 0 | 0 | 109.8 | L197 T198 W865 N877 V880 N881 V882 | L197-Q863 WeakPolarHBondContact CA-O 3.2Å; T198-Q863 PolarHBondContact N-O 2.89Å; T198-Q863 PolarHBondContact O-N 3.2Å; Q863-W865 HydrophobicContact CB-CZ2 3.93Å; Q863-W865 HydrophobicContact CG-CZ2 4.43Å; Q863-N877 PolarHBondContact NE2-O 3.05Å; Q863-V880 PolarHBondContact NE2-O 3.39Å; Q863-N881 CarbonylContact C-O 3.55Å; Q863-N881 VanDerWaalsContact CA-O 3.24Å; Q863-N881 WeakPolarHBondContact CA-O 3.37Å; Q863-V882 HydrophobicContact CG-CG2 3.92Å |
| 864 | W | 95.3 | Very high | 82.2 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 106.6 | -172.4 | -177.7 | -91 | 0 | 0 | 0 | 110.8 | D190 N195 L197 N881 L883 I897 L926 | D190-W864 HydrophobicContact CB-CH2 3.97Å; N195-W864 HydrophobicContact CB-CD2 4.21Å; N195-W864 VanDerWaalsContact CB-CE2 3.41Å; N195-W864 HydrophobicContact CB-CH2 3.77Å; N195-W864 HydrophobicContact CB-CZ2 3.18Å; N195-W864 HydrophobicContact CB-CZ3 4.46Å; N195-W864 VanDerWaalsContact CG-CZ2 3.45Å; N195-W864 PolarHBondContact OD1-NE1 2.99Å; L197-W864 HydrophobicContact CB-CE3 3.99Å; L197-W864 HydrophobicContact CB-CZ3 4.05Å; L197-W864 HydrophobicContact CD1-CE3 3.81Å; L197-W864 HydrophobicContact CD1-CZ3 4.35Å; W864-N881 PolarHBondContact N-O 2.94Å; W864-N881 WeakPolarHBondContact O-CB 3.45Å; W864-L883 HydrophobicContact CB-CB 4.1Å; W864-L883 HydrophobicContact CB-CD2 4.17Å; W864-L883 HydrophobicContact CD2-CD2 4.46Å; W864-L883 HydrophobicContact CE3-CD2 4.32Å; W864-L883 HydrophobicContact CG-CD2 4.45Å; W864-I897 HydrophobicContact CZ3-CD1 4.35Å; W864-L926 HydrophobicContact CD2-CD2 4.01Å; W864-L926 HydrophobicContact CE3-CD2 3.78Å; W864-L926 HydrophobicContact CH2-CB 4.49Å; W864-L926 HydrophobicContact CH2-CD1 3.63Å; W864-L926 HydrophobicContact CH2-CD2 3.73Å; W864-L926 HydrophobicContact CH2-CG 4.15Å; W864-L926 HydrophobicContact CZ2-CB 4.47Å; W864-L926 HydrophobicContact CZ2-CD1 4.39Å; W864-L926 HydrophobicContact CZ2-CD2 3.96Å; W864-L926 HydrophobicContact CZ3-CD1 3.88Å; W864-L926 HydrophobicContact CZ3-CD2 3.65Å; W864-L926 HydrophobicContact CZ3-CG 4.38Å |
| 865 | W | 94.9 | Very high | 84.6 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.6 | -171.4 | -52.7 | 92 | 0 | 0 | 0 | 110.9 | N195 L196 T198 Q863 F867 P873 E874 I875 V880 N881 | N195-W865 CarbonylContact C-O 3.13Å; N195-W865 VanDerWaalsContact CA-O 3.23Å; N195-W865 WeakPolarHBondContact CA-O 3.48Å; L196-W865 HydrophobicContact CB-CB 4.35Å; L196-W865 PolarHBondContact N-O 2.94Å; L196-W865 PolarHBondContact O-N 3.46Å; T198-W865 PolarHBondContact OG1-NE1 2.94Å; Q863-W865 HydrophobicContact CB-CZ2 3.93Å; Q863-W865 HydrophobicContact CG-CZ2 4.43Å; W865-F867 PolarHBondContact O-N 3.26Å; W865-P873 HydrophobicContact CB-CB 4.1Å; W865-P873 HydrophobicContact CD2-CB 3.52Å; W865-P873 HydrophobicContact CE3-CB 3.86Å; W865-P873 HydrophobicContact CG-CB 3.6Å; W865-E874 HydrophobicContact CH2-CB 4.06Å; W865-E874 WeakPolarHBondContact CH2-O 3.38Å; W865-E874 HydrophobicContact CZ3-CB 3.91Å; W865-E874 VanDerWaalsContact CZ3-N 3.34Å; W865-I875 HydrophobicContact CZ2-CG2 4.01Å; W865-V880 HydrophobicContact CH2-CB 4.27Å; W865-V880 HydrophobicContact CH2-CG1 3.82Å; W865-V880 HydrophobicContact CZ3-CG1 3.73Å; W865-N881 HydrophobicContact CD2-CB 4.47Å; W865-N881 HydrophobicContact CE3-CB 4.36Å; W865-N881 HydrophobicContact CH2-CB 4.44Å; W865-N881 HydrophobicContact CZ3-CB 4.34Å; W865-N881 VanDerWaalsContact CZ3-ND2 3.28Å; W865-N881 WeakPolarHBondContact CZ3-ND2 3.22Å |
| 866 | D | 92.6 | Very high | 86.5 | Confident | 91 Ų | 91 | 42.2 Ų | 42.2 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 121.3 | 162.1 | 176.6 | 4.1 | 0 | 0 | 0 | 108.4 | T868 | D866-T868 VanDerWaalsContact OD1-CB 3.3Å; D866-T868 WeakPolarHBondContact OD1-CB 3.24Å; D866-T868 VanDerWaalsContact OD1-CG2 3.3Å; D866-T868 WeakPolarHBondContact OD1-CG2 3.2Å; D866-T868 PolarHBondContact OD1-N 2.97Å; D866-T868 PolarHBondContact OD1-OG1 3.42Å |
| 867 | F | 92.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | trans | -116.9 | 8.1 | 179.6 | -161.7 | -112.3 | 0 | 0 | 0 | 112.1 | L152 F163 F189 H194 W865 K869 F870 D871 | L152-F867 HydrophobicContact CD2-CE1 3.88Å; L152-F867 HydrophobicContact CD2-CZ 3.87Å; F163-F867 AromaticContact CE1-CE2 3.97Å; F163-F867 HydrophobicContact CE1-CE2 3.97Å; F163-F867 AromaticContact CE1-CZ 3.95Å; F163-F867 HydrophobicContact CE1-CZ 3.95Å; F189-F867 AromaticContact CE1-CD1 3.62Å; F189-F867 HydrophobicContact CE1-CD1 3.62Å; F189-F867 AromaticContact CE1-CE1 3.95Å; F189-F867 HydrophobicContact CE1-CE1 3.95Å; F189-F867 HydrophobicContact CE1-CG 4.19Å; F189-F867 HydrophobicContact CZ-CD1 4.29Å; F189-F867 HydrophobicContact CZ-CE1 4.15Å; H194-F867 PolarHBondContact O-N 3.24Å; W865-F867 PolarHBondContact O-N 3.26Å; F867-K869 PolarHBondContact O-N 3.46Å; F867-F870 HydrophobicContact CD1-CD1 4.09Å; F867-F870 HydrophobicContact CE1-CB 4.49Å; F867-F870 AromaticContact CE1-CD1 3.54Å; F867-F870 HydrophobicContact CE1-CD1 3.54Å; F867-F870 HydrophobicContact CE1-CE1 4.21Å; F867-F870 HydrophobicContact CE1-CG 4.38Å; F867-F870 HydrophobicContact CZ-CB 4.31Å; F867-F870 HydrophobicContact CZ-CD1 4.08Å; F867-F870 PolarHBondContact O-N 2.71Å; F867-D871 WeakPolarHBondContact CD2-O 3.48Å; F867-D871 WeakPolarHBondContact CE2-O 3.31Å | ||
| 868 | T | 88.9 | Confident | 89.8 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 44% | 0.436 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.4 | -177.6 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | H194 D866 | H194-T868 HydrophobicContact CB-CG2 3.67Å; H194-T868 PolarHBondContact O-N 2.34Å; D866-T868 VanDerWaalsContact OD1-CB 3.3Å; D866-T868 WeakPolarHBondContact OD1-CB 3.24Å; D866-T868 VanDerWaalsContact OD1-CG2 3.3Å; D866-T868 WeakPolarHBondContact OD1-CG2 3.2Å; D866-T868 PolarHBondContact OD1-N 2.97Å; D866-T868 PolarHBondContact OD1-OG1 3.42Å |
| 869 | K | 86.8 | Confident | 90.5 | Very high | 125 Ų | 125 | 40 Ų | 40 | 54% | 0.543 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -1.1 | 177.4 | -61.7 | 173.7 | -170.7 | 163.4 | 0 | 113.8 | N480 F867 D871 | N480-K869 PolarHBondContact ND2-O 3.04Å; F867-K869 PolarHBondContact O-N 3.46Å; K869-D871 VanDerWaalsContact CB-OD2 3.26Å; K869-D871 WeakPolarHBondContact CB-OD2 3.2Å; K869-D871 WeakPolarHBondContact CD-OD2 3.24Å; K869-D871 PolarHBondContact O-N 3.33Å |
| 870 | F | 85.2 | Confident | 90.8 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | trans | 52.9 | 35.1 | -168.7 | -49.9 | -94 | 0 | 0 | 0 | 113.3 | H147 A150 L481 F485 F867 | H147-F870 AromaticContact CE1-CE1 3.55Å; H147-F870 AromaticContact CE1-CZ 3.97Å; H147-F870 AromaticContact NE2-CE1 3.88Å; A150-F870 HydrophobicContact CB-CE1 4.09Å; A150-F870 HydrophobicContact CB-CZ 4.49Å; L481-F870 HydrophobicContact CB-CB 3.85Å; L481-F870 VanDerWaalsContact CB-O 3.24Å; L481-F870 WeakPolarHBondContact CB-O 3.46Å; L481-F870 WeakPolarHBondContact CG-O 3.36Å; L481-F870 PolarHBondContact N-O 3.32Å; F485-F870 HydrophobicContact CD2-CB 4.01Å; F485-F870 AromaticContact CD2-CD1 3.72Å; F485-F870 HydrophobicContact CD2-CD1 3.72Å; F485-F870 HydrophobicContact CD2-CD2 4.05Å; F485-F870 HydrophobicContact CD2-CE1 4.15Å; F485-F870 HydrophobicContact CD2-CE2 4.45Å; F485-F870 AromaticContact CD2-CG 3.67Å; F485-F870 HydrophobicContact CD2-CG 3.67Å; F485-F870 HydrophobicContact CD2-CZ 4.5Å; F485-F870 HydrophobicContact CE2-CB 3.9Å; F485-F870 AromaticContact CE2-CD1 3.39Å; F485-F870 HydrophobicContact CE2-CD1 3.39Å; F485-F870 AromaticContact CE2-CE1 3.99Å; F485-F870 HydrophobicContact CE2-CE1 3.99Å; F485-F870 AromaticContact CE2-CG 3.7Å; F485-F870 HydrophobicContact CE2-CG 3.7Å; F485-F870 HydrophobicContact CZ-CD1 4.13Å; F485-F870 HydrophobicContact CZ-CE1 4.43Å; F867-F870 HydrophobicContact CD1-CD1 4.09Å; F867-F870 HydrophobicContact CE1-CB 4.49Å; F867-F870 AromaticContact CE1-CD1 3.54Å; F867-F870 HydrophobicContact CE1-CD1 3.54Å; F867-F870 HydrophobicContact CE1-CE1 4.21Å; F867-F870 HydrophobicContact CE1-CG 4.38Å; F867-F870 HydrophobicContact CZ-CB 4.31Å; F867-F870 HydrophobicContact CZ-CD1 4.08Å; F867-F870 PolarHBondContact O-N 2.71Å | ||
| 871 | D | 87.9 | Confident | 91 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -71.8 | 138.8 | 169.3 | -75.5 | -52.7 | 0 | 0 | 0 | 110.2 | N480 F867 K869 | N480-D871 VanDerWaalsContact CB-OD1 3.31Å; N480-D871 WeakPolarHBondContact CB-OD1 3.28Å; N480-D871 VanDerWaalsContact ND2-CG 3.32Å; N480-D871 PolarHBondContact ND2-OD1 2.99Å; F867-D871 WeakPolarHBondContact CD2-O 3.48Å; F867-D871 WeakPolarHBondContact CE2-O 3.31Å; K869-D871 VanDerWaalsContact CB-OD2 3.26Å; K869-D871 WeakPolarHBondContact CB-OD2 3.2Å; K869-D871 WeakPolarHBondContact CD-OD2 3.24Å; K869-D871 PolarHBondContact O-N 3.33Å |
| 872 | L | 91 | Very high | 91 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -65 | 133.5 | 174.2 | -67.5 | -178.4 | 0 | 0 | 0 | 110.9 | F163 A173 V175 C479 L481 | F163-L872 HydrophobicContact CD1-CD2 3.95Å; F163-L872 HydrophobicContact CD2-CD2 4.14Å; F163-L872 HydrophobicContact CE1-CD2 3.63Å; F163-L872 HydrophobicContact CE2-CD2 3.86Å; F163-L872 HydrophobicContact CG-CD2 4.22Å; F163-L872 HydrophobicContact CZ-CD2 3.62Å; A173-L872 HydrophobicContact CB-CD1 4.49Å; V175-L872 HydrophobicContact CG2-CB 4.05Å; V175-L872 HydrophobicContact CG2-CD1 4.06Å; V175-L872 HydrophobicContact CG2-CD2 4.11Å; V175-L872 HydrophobicContact CG2-CG 4.3Å; C479-L872 HydrophobicContact CB-CD1 3.85Å; C479-L872 HydrophobicContact CB-CG 4.44Å; C479-L872 PolarHBondContact O-N 2.6Å; L481-L872 HydrophobicContact CD1-CD2 3.88Å; L481-L872 HydrophobicContact CD2-CD2 4.41Å; L481-L872 HydrophobicContact CG-CD2 4.22Å |
| 873 | P | 91.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 136.6 | -176.8 | 31.1 | -36.2 | 0 | 0 | 0 | 111.9 | L161 F163 V175 L196 W865 I875 | L161-P873 HydrophobicContact CD2-CG 4.35Å; F163-P873 HydrophobicContact CZ-CG 4.23Å; V175-P873 WeakPolarHBondContact CG1-O 3.24Å; L196-P873 HydrophobicContact CD2-CG 4.06Å; W865-P873 HydrophobicContact CB-CB 4.1Å; W865-P873 HydrophobicContact CD2-CB 3.52Å; W865-P873 HydrophobicContact CE3-CB 3.86Å; W865-P873 HydrophobicContact CG-CB 3.6Å; P873-I875 HydrophobicContact CB-CG2 4.09Å; P873-I875 HydrophobicContact CG-CG2 4.13Å; P873-I875 PolarHBondContact O-N 2.8Å |
| 874 | E | 89.5 | Confident | 90.8 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 49% | 0.486 | 26% | 0.258 | S | S | . | . | trans | -79.5 | 54.6 | -177.8 | -160.3 | -167.7 | 143.7 | 0 | 0 | 112.6 | W865 S876 N877 | W865-E874 HydrophobicContact CH2-CB 4.06Å; W865-E874 WeakPolarHBondContact CH2-O 3.38Å; W865-E874 HydrophobicContact CZ3-CB 3.91Å; W865-E874 VanDerWaalsContact CZ3-N 3.34Å; E874-S876 PolarHBondContact O-N 3.33Å; E874-N877 HydrophobicContact CG-CB 4.24Å; E874-N877 PolarHBondContact O-N 2.93Å; E874-N877 WeakPolarHBondContact OE1-CB 3.48Å; E874-N877 PolarHBondContact OE1-ND2 3.1Å | ||
| 875 | I | 90.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.1 | -175.8 | 64.5 | 170.5 | 0 | 0 | 0 | 114.3 | L161 V175 T177 V184 T198 I200 W865 P873 N877 | L161-I875 HydrophobicContact CB-CD1 3.87Å; L161-I875 HydrophobicContact CD2-CD1 4.43Å; V175-I875 HydrophobicContact CB-CD1 4.25Å; V175-I875 HydrophobicContact CB-CG1 4.32Å; V175-I875 HydrophobicContact CG1-CD1 4.18Å; V175-I875 HydrophobicContact CG1-CG1 3.71Å; T177-I875 HydrophobicContact CG2-CD1 4.02Å; T177-I875 HydrophobicContact CG2-CG1 4.29Å; V184-I875 HydrophobicContact CG2-CD1 4.35Å; T198-I875 HydrophobicContact CG2-CG2 4.19Å; I200-I875 HydrophobicContact CD1-CB 3.89Å; I200-I875 HydrophobicContact CD1-CG2 4.38Å; W865-I875 HydrophobicContact CZ2-CG2 4.01Å; P873-I875 HydrophobicContact CB-CG2 4.09Å; P873-I875 HydrophobicContact CG-CG2 4.13Å; P873-I875 PolarHBondContact O-N 2.8Å; I875-N877 VanDerWaalsContact C-N 3.26Å; I875-N877 PolarHBondContact O-N 2.82Å |
| 876 | S | 89.5 | Confident | 90.3 | Very high | 55 Ų | 55 | 52 Ų | 52 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27 | 170.5 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | E874 | E874-S876 PolarHBondContact O-N 3.33Š|
| 877 | N | 88.8 | Confident | 90.1 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | trans | -93.5 | 104.5 | -179.5 | -167.6 | -31 | 0 | 0 | 0 | 111.1 | Q863 E874 I875 S879 V880 | Q863-N877 PolarHBondContact NE2-O 3.05Å; E874-N877 HydrophobicContact CG-CB 4.24Å; E874-N877 PolarHBondContact O-N 2.93Å; E874-N877 WeakPolarHBondContact OE1-CB 3.48Å; E874-N877 PolarHBondContact OE1-ND2 3.1Å; I875-N877 VanDerWaalsContact C-N 3.26Å; I875-N877 PolarHBondContact O-N 2.82Å; N877-S879 PolarHBondContact O-N 3.26Å; N877-S879 VanDerWaalsContact O-N 3.13Å; N877-S879 PolarHBondContact OD1-N 2.79Å; N877-S879 VanDerWaalsContact OD1-N 3.13Å; N877-S879 PolarHBondContact OD1-OG 2.78Å; N877-V880 HydrophobicContact CB-CB 4.25Å; N877-V880 HydrophobicContact CB-CG2 4.07Å; N877-V880 VanDerWaalsContact CG-CG2 3.46Å; N877-V880 WeakPolarHBondContact ND2-CG2 3.4Å; N877-V880 PolarHBondContact O-N 2.92Å | ||
| 878 | A | 88 | Confident | 89.8 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R861 V882 | R861-A878 WeakPolarHBondContact CD-O 3.5Å; R861-A878 VanDerWaalsContact CZ-CA 3.49Å; R861-A878 VanDerWaalsContact CZ-CB 3.46Å; A878-V882 WeakPolarHBondContact O-CG2 3.33Å |
| 879 | S | 88.8 | Confident | 89.6 | Confident | 94 Ų | 94 | 45.3 Ų | 45.3 | 66% | 0.657 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -20.5 | -175.5 | 71.8 | 0 | 0 | 0 | 0 | 114.4 | N877 | N877-S879 PolarHBondContact O-N 3.26Å; N877-S879 VanDerWaalsContact O-N 3.13Å; N877-S879 PolarHBondContact OD1-N 2.79Å; N877-S879 VanDerWaalsContact OD1-N 3.13Å; N877-S879 PolarHBondContact OD1-OG 2.78Å |
| 880 | V | 91.3 | Very high | 89.4 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 24% | 0.242 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 142.4 | -173.4 | 168 | 0 | 0 | 0 | 0 | 111.1 | Q863 W865 N877 V882 | Q863-V880 PolarHBondContact NE2-O 3.39Å; W865-V880 HydrophobicContact CH2-CB 4.27Å; W865-V880 HydrophobicContact CH2-CG1 3.82Å; W865-V880 HydrophobicContact CZ3-CG1 3.73Å; N877-V880 HydrophobicContact CB-CB 4.25Å; N877-V880 HydrophobicContact CB-CG2 4.07Å; N877-V880 VanDerWaalsContact CG-CG2 3.46Å; N877-V880 WeakPolarHBondContact ND2-CG2 3.4Å; N877-V880 PolarHBondContact O-N 2.92Å; V880-V882 PolarHBondContact O-N 2.9Å |
| 881 | N | 92.3 | Very high | 89.4 | Confident | 82 Ų | 82 | 39.5 Ų | 39.5 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 21.5 | 171.8 | -66.7 | -15.9 | 0 | 0 | 0 | 116.1 | Q863 W864 W865 L883 | Q863-N881 CarbonylContact C-O 3.55Å; Q863-N881 VanDerWaalsContact CA-O 3.24Å; Q863-N881 WeakPolarHBondContact CA-O 3.37Å; W864-N881 PolarHBondContact N-O 2.94Å; W864-N881 WeakPolarHBondContact O-CB 3.45Å; W865-N881 HydrophobicContact CD2-CB 4.47Å; W865-N881 HydrophobicContact CE3-CB 4.36Å; W865-N881 HydrophobicContact CH2-CB 4.44Å; W865-N881 HydrophobicContact CZ3-CB 4.34Å; W865-N881 VanDerWaalsContact CZ3-ND2 3.28Å; W865-N881 WeakPolarHBondContact CZ3-ND2 3.22Å; N881-L883 PolarHBondContact O-N 3.21Å; N881-L883 VanDerWaalsContact O-N 3.15Å |
| 882 | V | 93.6 | Very high | 89.4 | Confident | 52 Ų | 52 | 38.2 Ų | 38.2 | 32% | 0.315 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 109.8 | -179.2 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | R861 L862 Q863 A878 V880 P885 | R861-V882 HydrophobicContact CB-CG1 4.39Å; L862-V882 CarbonylContact O-C 3.55Å; L862-V882 WeakPolarHBondContact O-CA 3.28Å; Q863-V882 HydrophobicContact CG-CG2 3.92Å; A878-V882 WeakPolarHBondContact O-CG2 3.33Å; V880-V882 PolarHBondContact O-N 2.9Å; V882-P885 HydrophobicContact CG1-CB 4.01Å |
| 883 | L | 94.5 | Very high | 89.4 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -40.1 | 178.8 | -177.4 | 68.9 | 0 | 0 | 0 | 112.2 | L197 L862 W864 N881 L904 L926 L931 | L197-L883 HydrophobicContact CD1-CD2 4.42Å; L862-L883 PolarHBondContact O-N 3.37Å; W864-L883 HydrophobicContact CB-CB 4.1Å; W864-L883 HydrophobicContact CB-CD2 4.17Å; W864-L883 HydrophobicContact CD2-CD2 4.46Å; W864-L883 HydrophobicContact CE3-CD2 4.32Å; W864-L883 HydrophobicContact CG-CD2 4.45Å; N881-L883 PolarHBondContact O-N 3.21Å; N881-L883 VanDerWaalsContact O-N 3.15Å; L883-L904 HydrophobicContact CD2-CD2 3.47Å; L883-L904 VanDerWaalsContact CD2-CD2 3.47Å; L883-L904 HydrophobicContact CG-CD2 4.44Å; L883-L926 HydrophobicContact CD2-CD2 3.52Å; L883-L931 HydrophobicContact CD1-CD1 3.65Å; L883-L931 HydrophobicContact CD1-CG 3.97Å |
| 884 | V | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 109.9 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | R861 L862 N886 C887 L904 V906 I908 Y924 | R861-V884 CarbonylContact C-O 3.55Å; R861-V884 WeakPolarHBondContact CA-O 3.43Å; L862-V884 HydrophobicContact CB-CB 4.02Å; L862-V884 HydrophobicContact CB-CG2 4.42Å; L862-V884 HydrophobicContact CD1-CB 4.07Å; L862-V884 HydrophobicContact CD1-CG2 3.99Å; L862-V884 HydrophobicContact CG-CB 4.14Å; L862-V884 PolarHBondContact N-O 2.86Å; L862-V884 PolarHBondContact O-N 3.3Å; V884-N886 PolarHBondContact O-N 3.3Å; V884-C887 HydrophobicContact CG1-CB 4.15Å; V884-L904 HydrophobicContact CG2-CD2 4.38Å; V884-V906 HydrophobicContact CG1-CG1 4.45Å; V884-V906 HydrophobicContact CG2-CG1 4.45Å; V884-I908 HydrophobicContact CG1-CG2 4.05Å; V884-Y924 HydrophobicContact CB-CE2 4.42Å; V884-Y924 HydrophobicContact CG1-CE2 3.93Å; V884-Y924 HydrophobicContact CG2-CD1 4.32Å; V884-Y924 HydrophobicContact CG2-CD2 3.65Å; V884-Y924 HydrophobicContact CG2-CE1 4.23Å; V884-Y924 HydrophobicContact CG2-CE2 3.55Å; V884-Y924 HydrophobicContact CG2-CG 4.05Å |
| 885 | P | 90.4 | Very high | 89.4 | Confident | 77 Ų | 77 | 31.7 Ų | 31.7 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -23.5 | -169.9 | 28.3 | -35.5 | 0 | 0 | 0 | 114 | N202 V882 | N202-P885 PolarHBondContact ND2-O 3.46Å; V882-P885 HydrophobicContact CG1-CB 4.01Å |
| 886 | N | 88.3 | Confident | 89.6 | Confident | 75 Ų | 75 | 33.1 Ų | 33.1 | 40% | 0.401 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 105.4 | -179.5 | -80.6 | -80.7 | 0 | 0 | 0 | 110.8 | N202 T859 V884 I908 P909 | N202-N886 PolarHBondContact ND2-OD1 3.48Å; T859-N886 VanDerWaalsContact CB-OD1 3.25Å; T859-N886 WeakPolarHBondContact CB-OD1 3.34Å; T859-N886 HydrophobicContact CG2-CB 4.41Å; T859-N886 PolarHBondContact OG1-OD1 2.85Å; V884-N886 PolarHBondContact O-N 3.3Å; N886-I908 WeakPolarHBondContact O-CG2 3.33Å; N886-P909 HydrophobicContact CB-CG 4.34Å; N886-P909 WeakPolarHBondContact O-CD 3.39Å |
| 887 | C | 88 | Confident | 89.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 166.3 | 173.5 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | T859 Y860 V884 V906 F907 I908 | T859-C887 WeakPolarHBondContact CA-O 3.31Å; Y860-C887 PolarHBondContact N-O 2.86Å; Y860-C887 PolarHBondContact O-N 3.38Å; Y860-C887 PolarHBondContact O-SG 2.94Å; V884-C887 HydrophobicContact CG1-CB 4.15Å; C887-V906 HydrophobicContact CB-CG1 4.48Å; C887-V906 HydrophobicContact CB-CG2 3.76Å; C887-F907 CarbonylContact C-O 3.54Å; C887-F907 WeakPolarHBondContact CA-O 3.08Å; C887-F907 VanDerWaalsContact CB-O 3.24Å; C887-F907 WeakPolarHBondContact CB-O 3.36Å; C887-I908 HydrophobicContact CB-CG2 4.41Å |
| 888 | K | 85.7 | Confident | 90.1 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -111.2 | 112.5 | 172.9 | -69.5 | -170.8 | 178.1 | -175.2 | 0 | 109.2 | F907 P916 | K888-F907 HydrophobicContact CB-CB 4.4Å; K888-F907 PolarHBondContact N-O 3.45Å; K888-P916 PolarHBondContact NZ-O 2.91Å |
| 889 | I | 85.1 | Confident | 90.1 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -112.7 | 121.8 | 176.3 | -53.8 | -61.3 | 0 | 0 | 0 | 109.1 | R185 L186 A199 Y860 C895 V906 | R185-I889 HydrophobicContact CG-CB 4.12Å; R185-I889 HydrophobicContact CG-CG2 3.69Å; L186-I889 HydrophobicContact CB-CG2 4.44Å; A199-I889 HydrophobicContact CB-CG1 4.22Å; Y860-I889 HydrophobicContact CD2-CB 3.95Å; Y860-I889 HydrophobicContact CD2-CG1 4.12Å; Y860-I889 HydrophobicContact CE2-CB 4.11Å; Y860-I889 WeakPolarHBondContact CE2-O 3.3Å; Y860-I889 HydrophobicContact CG-CB 4.37Å; Y860-I889 HydrophobicContact CG-CG1 4.26Å; I889-C895 HydrophobicContact CD1-CB 4.11Å; I889-V906 HydrophobicContact CD1-CG2 3.69Å | ||
| 890 | Y | 82.8 | Confident | 90.1 | Very high | 39 Ų | 39 | 29.3 Ų | 29.3 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -99 | -44.8 | 174.6 | -50.7 | -82 | 0 | 0 | 0 | 111 | R185 I855 S894 A945 I946 | R185-Y890 PolarHBondContact NE-O 2.81Å; R185-Y890 PolarHBondContact NH2-O 2.83Å; I855-Y890 HydrophobicContact CG1-CE1 4.34Å; Y890-S894 WeakPolarHBondContact CB-OG 3.44Å; Y890-S894 WeakPolarHBondContact CD2-OG 3.45Å; Y890-S894 PolarHBondContact N-OG 3.01Å; Y890-A945 WeakPolarHBondContact CE2-O 3.13Å; Y890-I946 HydrophobicContact CD2-CB 4.35Å; Y890-I946 HydrophobicContact CD2-CG1 4.35Å; Y890-I946 HydrophobicContact CD2-CG2 4.27Å; Y890-I946 HydrophobicContact CE2-CG1 4.44Å; Y890-I946 HydrophobicContact CG-CG2 4.41Å |
| 891 | N | 86.3 | Confident | 90.1 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -154.2 | -177.4 | 175.3 | 64.7 | 9.4 | 0 | 0 | 0 | 112 | A893 S894 N1013 | N891-A893 PolarHBondContact O-N 3.3Å; N891-A893 WeakPolarHBondContact OD1-CA 3.4Å; N891-A893 WeakPolarHBondContact OD1-CB 3.1Å; N891-A893 PolarHBondContact OD1-N 2.72Å; N891-S894 PolarHBondContact N-OG 3.5Å; N891-S894 VanDerWaalsContact O-CB 3.28Å; N891-S894 WeakPolarHBondContact O-CB 3.28Å; N891-S894 PolarHBondContact O-N 2.84Å; N891-S894 PolarHBondContact O-OG 2.98Å; N891-S894 PolarHBondContact OD1-N 2.74Å; N891-S894 PolarHBondContact OD1-OG 3.43Å; N891-N1013 PolarHBondContact ND2-O 3Å |
| 892 | D | 87.7 | Confident | 90.1 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -8.3 | 175.4 | -71 | 55.3 | 0 | 0 | 0 | 115.2 | L58 S143 L186 R188 R1016 | L58-D892 HydrophobicContact CD1-CB 3.86Å; L58-D892 HydrophobicContact CD2-CB 3.81Å; S143-D892 WeakPolarHBondContact CB-OD1 3.49Å; S143-D892 PolarHBondContact OG-OD1 2.71Å; S143-D892 PolarHBondContact OG-OD2 3.25Å; L186-D892 HydrophobicContact CD1-CB 4.15Å; R188-D892 IonicContact CZ-OD2 2.74Å; R188-D892 IonicContact NE-OD2 2.73Å; R188-D892 IonicContact NH2-OD2 2.64Å; R188-D892 PolarHBondContact NH2-OD2 2.85Å; D892-R1016 PolarHBondContact O-NH2 2.86Å |
| 893 | A | 90.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -4.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | L58 N891 C895 S947 V948 | L58-A893 HydrophobicContact CD1-CB 4.02Å; N891-A893 PolarHBondContact O-N 3.3Å; N891-A893 WeakPolarHBondContact OD1-CA 3.4Å; N891-A893 WeakPolarHBondContact OD1-CB 3.1Å; N891-A893 PolarHBondContact OD1-N 2.72Å; A893-C895 PolarHBondContact O-N 3.12Å; A893-S947 CarbonylContact O-C 3.59Å; A893-S947 WeakPolarHBondContact O-CA 3.44Å; A893-S947 WeakPolarHBondContact O-CB 3.34Å; A893-V948 PolarHBondContact O-N 3.04Å |
| 894 | S | 89.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -79.3 | -3.7 | 176.4 | -53.4 | 0 | 0 | 0 | 0 | 114.4 | Y890 N891 I946 | Y890-S894 WeakPolarHBondContact CB-OG 3.44Å; Y890-S894 WeakPolarHBondContact CD2-OG 3.45Å; Y890-S894 PolarHBondContact N-OG 3.01Å; N891-S894 PolarHBondContact N-OG 3.5Å; N891-S894 VanDerWaalsContact O-CB 3.28Å; N891-S894 WeakPolarHBondContact O-CB 3.28Å; N891-S894 PolarHBondContact O-N 2.84Å; N891-S894 PolarHBondContact O-OG 2.98Å; N891-S894 PolarHBondContact OD1-N 2.74Å; N891-S894 PolarHBondContact OD1-OG 3.43Å; S894-I946 WeakPolarHBondContact CA-O 3.33Å; S894-I946 WeakPolarHBondContact CB-O 3.14Å; S894-I946 PolarHBondContact OG-O 2.79Å |
| 895 | C | 92.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 142.1 | 179.2 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | L186 I889 A893 L904 A905 V906 | L186-C895 HydrophobicContact CD2-CB 3.63Å; I889-C895 HydrophobicContact CD1-CB 4.11Å; A893-C895 PolarHBondContact O-N 3.12Å; C895-L904 VanDerWaalsContact SG-CD1 3.54Å; C895-A905 WeakPolarHBondContact CA-O 3.36Å; C895-V906 HydrophobicContact CB-CG2 4.49Å |
| 896 | D | 95.1 | Very high | 90.6 | Very high | 32 Ų | 32 | 23.1 Ų | 23.1 | 17% | 0.171 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 149.2 | 178.3 | -157.7 | 15.1 | 0 | 0 | 0 | 111.4 | A905 V948 S949 L950 | D896-A905 PolarHBondContact N-O 3.02Å; D896-A905 VanDerWaalsContact N-O 3.12Å; D896-A905 PolarHBondContact O-N 2.84Å; D896-V948 HydrophobicContact CB-CG1 4.31Å; D896-S949 WeakPolarHBondContact OD2-CA 3.49Å; D896-S949 WeakPolarHBondContact OD2-CB 2.77Å; D896-S949 PolarHBondContact OD2-OG 3.43Å; D896-L950 PolarHBondContact OD2-N 2.87Å |
| 897 | I | 94.8 | Very high | 90.7 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 12% | 0.123 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.6 | -180 | -62.6 | 175.1 | 0 | 0 | 0 | 108.2 | R188 L197 W864 L903 L904 L926 | R188-I897 HydrophobicContact CB-CD1 4.24Å; L197-I897 HydrophobicContact CD2-CD1 4.29Å; W864-I897 HydrophobicContact CZ3-CD1 4.35Å; I897-L903 CarbonylContact C-O 3.56Å; I897-L903 WeakPolarHBondContact CA-O 3.39Å; I897-L904 HydrophobicContact CG1-CD1 3.9Å; I897-L926 HydrophobicContact CG1-CD1 4.4Å; I897-L926 HydrophobicContact CG2-CD1 3.88Å |
| 898 | S | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | trans | -63.9 | 151.7 | 178.7 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | D900 G901 Q902 L903 | S898-D900 WeakPolarHBondContact CB-OD1 3.48Å; S898-D900 PolarHBondContact O-N 2.74Å; S898-D900 PolarHBondContact OG-OD1 3.45Å; S898-G901 PolarHBondContact O-N 3.13Å; S898-Q902 PolarHBondContact OG-N 3.03Å; S898-Q902 VanDerWaalsContact OG-N 3.1Å; S898-L903 PolarHBondContact N-O 2.85Å; S898-L903 PolarHBondContact OG-N 3.32Å | ||
| 899 | A | 88.4 | Confident | 90.4 | Very high | 75 Ų | 75 | 22 Ų | 22 | 62% | 0.62 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 900 | D | 88.3 | Confident | 89.9 | Confident | 60 Ų | 60 | 22.9 Ų | 22.9 | 32% | 0.321 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 8.1 | 171.3 | 58.8 | 6 | 0 | 0 | 0 | 114.1 | R27 S898 Q902 | R27-D900 IonicContact CZ-OD2 3.7Å; R27-D900 IonicContact NH1-OD2 3.92Å; R27-D900 IonicContact NH2-OD2 2.71Å; R27-D900 PolarHBondContact NH2-OD2 3.45Å; S898-D900 WeakPolarHBondContact CB-OD1 3.48Å; S898-D900 PolarHBondContact O-N 2.74Å; S898-D900 PolarHBondContact OG-OD1 3.45Å; D900-Q902 WeakPolarHBondContact O-CG 3.35Å; D900-Q902 PolarHBondContact O-N 3.13Å |
| 901 | G | 91.3 | Very high | 88.7 | Confident | 16 Ų | 16 | 26.2 Ų | 26.2 | 17% | 0.165 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 70.9 | 7.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | S898 L926 | S898-G901 PolarHBondContact O-N 3.13Å; G901-L926 WeakPolarHBondContact O-CB 3.26Å |
| 902 | Q | 93.1 | Very high | 87.1 | Confident | 100 Ų | 100 | 32 Ų | 32 | 47% | 0.467 | 19% | 0.19 | S | C | . | . | trans | -95.8 | -14.9 | -171.5 | -57.6 | -162.2 | -7.9 | 0 | 0 | 115 | S898 D900 L926 A927 | S898-Q902 PolarHBondContact OG-N 3.03Å; S898-Q902 VanDerWaalsContact OG-N 3.1Å; D900-Q902 WeakPolarHBondContact O-CG 3.35Å; D900-Q902 PolarHBondContact O-N 3.13Å; Q902-L926 PolarHBondContact O-N 3.42Å; Q902-A927 HydrophobicContact CB-CB 4.5Å | ||
| 903 | L | 95.2 | Very high | 84.9 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.9 | -177.9 | -58.2 | 174.6 | 0 | 0 | 0 | 111.5 | I897 S898 I923 Y924 L935 L950 L982 | I897-L903 CarbonylContact C-O 3.56Å; I897-L903 WeakPolarHBondContact CA-O 3.39Å; S898-L903 PolarHBondContact N-O 2.85Å; S898-L903 PolarHBondContact OG-N 3.32Å; L903-I923 HydrophobicContact CB-CG2 3.95Å; L903-I923 HydrophobicContact CD2-CG2 4.11Å; L903-I923 HydrophobicContact CG-CG2 4.45Å; L903-Y924 WeakPolarHBondContact CA-O 3.38Å; L903-L935 HydrophobicContact CD2-CD1 3.7Å; L903-L950 HydrophobicContact CB-CD1 4.19Å; L903-L982 HydrophobicContact CD1-CD1 4.29Å |
| 904 | L | 96.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.5 | 174.3 | 175.4 | 67.8 | 0 | 0 | 0 | 109.8 | L197 L862 L883 V884 C895 I897 I923 Y924 L926 | L197-L904 HydrophobicContact CD1-CD2 4.29Å; L197-L904 HydrophobicContact CD2-CD1 3.77Å; L862-L904 HydrophobicContact CD1-CD2 3.87Å; L883-L904 HydrophobicContact CD2-CD2 3.47Å; L883-L904 VanDerWaalsContact CD2-CD2 3.47Å; L883-L904 HydrophobicContact CG-CD2 4.44Å; V884-L904 HydrophobicContact CG2-CD2 4.38Å; C895-L904 VanDerWaalsContact SG-CD1 3.54Å; I897-L904 HydrophobicContact CG1-CD1 3.9Å; L904-I923 CarbonylContact O-C 3.53Å; L904-I923 VanDerWaalsContact O-CA 3.25Å; L904-I923 WeakPolarHBondContact O-CA 3.45Å; L904-Y924 PolarHBondContact N-O 3.19Å; L904-Y924 PolarHBondContact O-N 3.26Å; L904-L926 HydrophobicContact CB-CD1 3.89Å; L904-L926 HydrophobicContact CB-CD2 4.07Å; L904-L926 HydrophobicContact CB-CG 3.82Å; L904-L926 HydrophobicContact CD2-CD2 4.32Å |
| 905 | A | 95.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | C895 D896 L921 I923 V948 L950 | C895-A905 WeakPolarHBondContact CA-O 3.36Å; D896-A905 PolarHBondContact N-O 3.02Å; D896-A905 VanDerWaalsContact N-O 3.12Å; D896-A905 PolarHBondContact O-N 2.84Å; A905-L921 HydrophobicContact CB-CD1 4.45Å; A905-I923 HydrophobicContact CB-CG1 4.05Å; A905-V948 HydrophobicContact CB-CG1 4.3Å; A905-V948 HydrophobicContact CB-CG2 3.82Å; A905-L950 HydrophobicContact CB-CD1 4.05Å; A905-L950 HydrophobicContact CB-CD2 4.14Å; A905-L950 HydrophobicContact CB-CG 3.99Å |
| 906 | V | 93.8 | Very high | 78 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 153.6 | -178.4 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | L862 V884 C887 I889 C895 I908 A922 Y924 | L862-V906 HydrophobicContact CD1-CB 4.42Å; L862-V906 HydrophobicContact CD1-CG1 4.32Å; L862-V906 HydrophobicContact CD1-CG2 4.17Å; V884-V906 HydrophobicContact CG1-CG1 4.45Å; V884-V906 HydrophobicContact CG2-CG1 4.45Å; C887-V906 HydrophobicContact CB-CG1 4.48Å; C887-V906 HydrophobicContact CB-CG2 3.76Å; I889-V906 HydrophobicContact CD1-CG2 3.69Å; C895-V906 HydrophobicContact CB-CG2 4.49Å; V906-I908 HydrophobicContact CG1-CG2 4.36Å; V906-A922 PolarHBondContact N-O 2.74Å; V906-A922 PolarHBondContact O-N 2.92Å; V906-A922 VanDerWaalsContact O-O 3.07Å; V906-Y924 HydrophobicContact CG1-CD2 4.09Å; V906-Y924 HydrophobicContact CG1-CE2 3.9Å |
| 907 | F | 90.6 | Very high | 75.8 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 134.1 | 172.7 | -56.1 | -66.6 | 0 | 0 | 0 | 112.3 | C887 K888 I920 L921 A945 V948 V959 | C887-F907 CarbonylContact C-O 3.54Å; C887-F907 WeakPolarHBondContact CA-O 3.08Å; C887-F907 VanDerWaalsContact CB-O 3.24Å; C887-F907 WeakPolarHBondContact CB-O 3.36Å; K888-F907 HydrophobicContact CB-CB 4.4Å; K888-F907 PolarHBondContact N-O 3.45Å; F907-I920 CarbonylContact C-O 3.36Å; F907-I920 WeakPolarHBondContact CA-O 3.38Å; F907-L921 HydrophobicContact CD1-CB 4.27Å; F907-L921 HydrophobicContact CD1-CD1 4.32Å; F907-L921 HydrophobicContact CE1-CB 4.25Å; F907-L921 HydrophobicContact CE1-CD1 4.15Å; F907-A945 HydrophobicContact CD1-CB 4.09Å; F907-A945 HydrophobicContact CE1-CB 3.49Å; F907-A945 VanDerWaalsContact CE1-CB 3.49Å; F907-A945 HydrophobicContact CE2-CB 4.49Å; F907-A945 HydrophobicContact CZ-CB 3.73Å; F907-V948 HydrophobicContact CE2-CB 4.11Å; F907-V948 HydrophobicContact CE2-CG1 4.41Å; F907-V948 HydrophobicContact CZ-CB 3.84Å; F907-V959 HydrophobicContact CE1-CG1 4.03Å; F907-V959 HydrophobicContact CZ-CG1 4.07Å |
| 908 | I | 87.9 | Confident | 74.2 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.5 | 173.3 | 67.7 | 175 | 0 | 0 | 0 | 110.5 | V884 N886 C887 V906 I920 A922 Y924 M934 | V884-I908 HydrophobicContact CG1-CG2 4.05Å; N886-I908 WeakPolarHBondContact O-CG2 3.33Å; C887-I908 HydrophobicContact CB-CG2 4.41Å; V906-I908 HydrophobicContact CG1-CG2 4.36Å; I908-I920 HydrophobicContact CG1-CB 3.82Å; I908-I920 HydrophobicContact CG1-CG2 4.47Å; I908-I920 PolarHBondContact N-O 3.35Å; I908-I920 PolarHBondContact O-N 2.76Å; I908-A922 HydrophobicContact CD1-CB 3.94Å; I908-A922 HydrophobicContact CG1-CB 4.24Å; I908-A922 HydrophobicContact CG2-CB 4.29Å; I908-Y924 HydrophobicContact CG2-CE2 4.4Å; I908-M934 HydrophobicContact CD1-SD 4.29Å |
| 909 | P | 80.8 | Confident | 73.3 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 28% | 0.279 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 142.4 | 179.4 | 29.7 | -34.5 | 0 | 0 | 0 | 112.2 | T859 N886 | T859-P909 HydrophobicContact CG2-CG 4.15Å; N886-P909 HydrophobicContact CB-CG 4.34Å; N886-P909 WeakPolarHBondContact O-CD 3.39Å |
| 910 | S | 72.7 | Confident | 73.2 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | trans | -67.3 | 131.7 | 167 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | Q912 E918 R939 | S910-Q912 VanDerWaalsContact C-N 3.28Å; S910-Q912 PolarHBondContact O-N 3.05Å; S910-E918 VanDerWaalsContact CB-CB 3.4Å; S910-E918 VanDerWaalsContact CB-O 3.24Å; S910-E918 WeakPolarHBondContact CB-O 3.34Å; S910-E918 WeakPolarHBondContact CB-OE2 3.48Å; S910-E918 PolarHBondContact N-O 3.03Å; S910-E918 PolarHBondContact OG-OE2 2.9Å; S910-R939 PolarHBondContact OG-NH1 2.98Å | ||
| 911 | S | 58.4 | Low | 73.3 | Confident | 110 Ų | 110 | 56.9 Ų | 56.9 | 77% | 0.769 | 31% | 0.305 | S | S | * | . | trans | -83.2 | 3.1 | -179.6 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | R913 | S911-R913 PolarHBondContact O-N 3.26Š| ||
| 912 | Q | 52.6 | Low | 73.4 | Confident | 127 Ų | 127 | 56.1 Ų | 56.1 | 59% | 0.593 | 30% | 0.297 | S | S | * | . | trans | -81.5 | 114.6 | -179.2 | -67.5 | -171.9 | -6.3 | 0 | 0 | 111 | S910 G914 | S910-Q912 VanDerWaalsContact C-N 3.28Å; S910-Q912 PolarHBondContact O-N 3.05Å; Q912-G914 PolarHBondContact O-N 2.92Å | ||
| 913 | R | 42.2 | Very low | 73.5 | Confident | 262 Ų | 262 | 51.3 Ų | 51.3 | 99% | 0.989 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 101.5 | 175.6 | -66.6 | -178.2 | 178.9 | -171 | -2.3 | 110.2 | S911 | S911-R913 PolarHBondContact O-N 3.26Š|
| 914 | G | 39 | Very low | 73.6 | Confident | 61 Ų | 61 | 51.3 Ų | 51.3 | 63% | 0.629 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -178.6 | -55.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q912 | Q912-G914 PolarHBondContact O-N 2.92Š|
| 915 | F | 39.8 | Very low | 73.5 | Confident | 167 Ų | 167 | 51.5 Ų | 51.5 | 73% | 0.732 | 28% | 0.275 | S | S | * | . | trans | -139.4 | 129.5 | -177.6 | -69.9 | -83.5 | 0 | 0 | 0 | 111.7 | D917 | F915-D917 VanDerWaalsContact C-N 3.28Å; F915-D917 PolarHBondContact O-N 2.75Å | ||
| 916 | P | 48.1 | Very low | 73.4 | Confident | 77 Ų | 77 | 51.9 Ų | 51.9 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -11.9 | -174 | 31 | -36.7 | 0 | 0 | 0 | 114.7 | K888 | K888-P916 PolarHBondContact NZ-O 2.91Š|
| 917 | D | 49.7 | Very low | 73.3 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -6.3 | -171.4 | -77.8 | -17.1 | 0 | 0 | 0 | 114.7 | F915 G919 | F915-D917 VanDerWaalsContact C-N 3.28Å; F915-D917 PolarHBondContact O-N 2.75Å; D917-G919 PolarHBondContact O-N 2.64Å |
| 918 | E | 61.2 | Low | 73.2 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | trans | -71.1 | 100.6 | 173.8 | -74.1 | -164.4 | 171.5 | 0 | 0 | 111.1 | S910 | S910-E918 VanDerWaalsContact CB-CB 3.4Å; S910-E918 VanDerWaalsContact CB-O 3.24Å; S910-E918 WeakPolarHBondContact CB-O 3.34Å; S910-E918 WeakPolarHBondContact CB-OE2 3.48Å; S910-E918 PolarHBondContact N-O 3.03Å; S910-E918 PolarHBondContact OG-OE2 2.9Å | ||
| 919 | G | 73.5 | Confident | 73.3 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 140.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D917 F940 | D917-G919 PolarHBondContact O-N 2.64Å; G919-F940 PolarHBondContact O-N 3.41Å |
| 920 | I | 86.5 | Confident | 73.8 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.7 | 166.4 | -42.2 | -177.3 | 0 | 0 | 0 | 107 | F907 I908 K938 R939 | F907-I920 CarbonylContact C-O 3.36Å; F907-I920 WeakPolarHBondContact CA-O 3.38Å; I908-I920 HydrophobicContact CG1-CB 3.82Å; I908-I920 HydrophobicContact CG1-CG2 4.47Å; I908-I920 PolarHBondContact N-O 3.35Å; I908-I920 PolarHBondContact O-N 2.76Å; I920-K938 CarbonylContact C-O 3.57Å; I920-K938 WeakPolarHBondContact CA-O 3.36Å; I920-K938 WeakPolarHBondContact CG2-O 3.3Å; I920-R939 HydrophobicContact CD1-CG 4.37Å; I920-R939 HydrophobicContact CG1-CG 4.19Å; I920-R939 HydrophobicContact CG2-CG 4.28Å |
| 921 | L | 91.5 | Very high | 74.8 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.4 | 161.4 | 173.5 | 64.2 | 0 | 0 | 0 | 108 | A905 F907 T937 K938 F940 V948 V957 V959 M992 | A905-L921 HydrophobicContact CB-CD1 4.45Å; F907-L921 HydrophobicContact CD1-CB 4.27Å; F907-L921 HydrophobicContact CD1-CD1 4.32Å; F907-L921 HydrophobicContact CE1-CB 4.25Å; F907-L921 HydrophobicContact CE1-CD1 4.15Å; L921-T937 CarbonylContact O-C 3.57Å; L921-T937 VanDerWaalsContact O-CA 3.28Å; L921-T937 WeakPolarHBondContact O-CA 3.48Å; L921-K938 PolarHBondContact N-O 3.17Å; L921-K938 PolarHBondContact O-N 2.9Å; L921-F940 HydrophobicContact CB-CE2 3.74Å; L921-V948 HydrophobicContact CD1-CG2 3.76Å; L921-V948 HydrophobicContact CD2-CG2 4.44Å; L921-V957 HydrophobicContact CD2-CG1 3.88Å; L921-V957 HydrophobicContact CD2-CG2 3.93Å; L921-V959 HydrophobicContact CD2-CG2 3.72Å; L921-M992 HydrophobicContact CD2-CE 3.78Å; L921-M992 HydrophobicContact CD2-SD 3.92Å; L921-M992 HydrophobicContact CG-CE 4.02Å |
| 922 | A | 92.6 | Very high | 76.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145.6 | 167 | 0 | 0 | 0 | 0 | 0 | 109.6 | V906 I908 Y924 M934 Y936 | V906-A922 PolarHBondContact N-O 2.74Å; V906-A922 PolarHBondContact O-N 2.92Å; V906-A922 VanDerWaalsContact O-O 3.07Å; I908-A922 HydrophobicContact CD1-CB 3.94Å; I908-A922 HydrophobicContact CG1-CB 4.24Å; I908-A922 HydrophobicContact CG2-CB 4.29Å; A922-Y924 HydrophobicContact CB-CD2 4.19Å; A922-Y924 HydrophobicContact CB-CE2 3.53Å; A922-M934 HydrophobicContact CB-CG 4.19Å; A922-M934 HydrophobicContact CB-SD 4.11Å; A922-Y936 WeakPolarHBondContact CA-O 3.24Å |
| 923 | I | 95.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.3 | 165.5 | -57.2 | 177.1 | 0 | 0 | 0 | 107.8 | L903 L904 A905 M934 L935 Y936 L950 V957 L982 M992 | L903-I923 HydrophobicContact CB-CG2 3.95Å; L903-I923 HydrophobicContact CD2-CG2 4.11Å; L903-I923 HydrophobicContact CG-CG2 4.45Å; L904-I923 CarbonylContact O-C 3.53Å; L904-I923 VanDerWaalsContact O-CA 3.25Å; L904-I923 WeakPolarHBondContact O-CA 3.45Å; A905-I923 HydrophobicContact CB-CG1 4.05Å; I923-M934 CarbonylContact O-C 3.6Å; I923-L935 PolarHBondContact O-N 3.31Å; I923-Y936 HydrophobicContact CB-CD2 4.09Å; I923-Y936 HydrophobicContact CD1-CD2 4.49Å; I923-Y936 HydrophobicContact CG2-CD2 4.22Å; I923-Y936 PolarHBondContact N-O 3.1Å; I923-Y936 PolarHBondContact O-N 2.9Å; I923-L950 HydrophobicContact CD1-CD2 4.01Å; I923-V957 HydrophobicContact CD1-CB 4.3Å; I923-V957 HydrophobicContact CD1-CG1 4.3Å; I923-V957 HydrophobicContact CD1-CG2 4.47Å; I923-L982 HydrophobicContact CD1-CD1 3.77Å; I923-L982 HydrophobicContact CD1-CD2 3.64Å; I923-L982 HydrophobicContact CD1-CG 4.37Å; I923-M992 HydrophobicContact CD1-CE 3.57Å; I923-M992 HydrophobicContact CG1-CE 3.7Å |
| 924 | Y | 95.6 | Very high | 80.6 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 151.1 | 177.6 | -65.8 | -90.9 | 0 | 0 | 0 | 110.5 | V884 L903 L904 V906 I908 A922 G932 E933 M934 | V884-Y924 HydrophobicContact CB-CE2 4.42Å; V884-Y924 HydrophobicContact CG1-CE2 3.93Å; V884-Y924 HydrophobicContact CG2-CD1 4.32Å; V884-Y924 HydrophobicContact CG2-CD2 3.65Å; V884-Y924 HydrophobicContact CG2-CE1 4.23Å; V884-Y924 HydrophobicContact CG2-CE2 3.55Å; V884-Y924 HydrophobicContact CG2-CG 4.05Å; L903-Y924 WeakPolarHBondContact CA-O 3.38Å; L904-Y924 PolarHBondContact N-O 3.19Å; L904-Y924 PolarHBondContact O-N 3.26Å; V906-Y924 HydrophobicContact CG1-CD2 4.09Å; V906-Y924 HydrophobicContact CG1-CE2 3.9Å; I908-Y924 HydrophobicContact CG2-CE2 4.4Å; A922-Y924 HydrophobicContact CB-CD2 4.19Å; A922-Y924 HydrophobicContact CB-CE2 3.53Å; Y924-G932 WeakPolarHBondContact CD1-O 3.41Å; Y924-E933 CarbonylContact C-O 3.51Å; Y924-E933 VanDerWaalsContact CA-O 3.3Å; Y924-E933 WeakPolarHBondContact CA-O 3.35Å; Y924-M934 HydrophobicContact CD1-CB 3.99Å; Y924-M934 HydrophobicContact CD1-CG 4.44Å; Y924-M934 HydrophobicContact CE1-CB 3.77Å; Y924-M934 HydrophobicContact CE1-CG 4.06Å |
| 925 | S | 95.6 | Very high | 83.2 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.028 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 137.1 | 166.9 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | A927 N930 G932 E933 | S925-A927 PolarHBondContact OG-N 2.87Å; S925-N930 WeakPolarHBondContact CB-O 3.35Å; S925-N930 WeakPolarHBondContact CB-OD1 3.5Å; S925-N930 PolarHBondContact OG-OD1 3.03Å; S925-G932 PolarHBondContact O-N 3.15Å; S925-E933 PolarHBondContact N-O 2.97Å |
| 926 | L | 94.5 | Very high | 85.8 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | trans | -103.8 | -5.5 | 166.2 | -67.5 | 175.1 | 0 | 0 | 0 | 112 | W864 L883 I897 G901 Q902 L904 L931 | W864-L926 HydrophobicContact CD2-CD2 4.01Å; W864-L926 HydrophobicContact CE3-CD2 3.78Å; W864-L926 HydrophobicContact CH2-CB 4.49Å; W864-L926 HydrophobicContact CH2-CD1 3.63Å; W864-L926 HydrophobicContact CH2-CD2 3.73Å; W864-L926 HydrophobicContact CH2-CG 4.15Å; W864-L926 HydrophobicContact CZ2-CB 4.47Å; W864-L926 HydrophobicContact CZ2-CD1 4.39Å; W864-L926 HydrophobicContact CZ2-CD2 3.96Å; W864-L926 HydrophobicContact CZ3-CD1 3.88Å; W864-L926 HydrophobicContact CZ3-CD2 3.65Å; W864-L926 HydrophobicContact CZ3-CG 4.38Å; L883-L926 HydrophobicContact CD2-CD2 3.52Å; I897-L926 HydrophobicContact CG1-CD1 4.4Å; I897-L926 HydrophobicContact CG2-CD1 3.88Å; G901-L926 WeakPolarHBondContact O-CB 3.26Å; Q902-L926 PolarHBondContact O-N 3.42Å; L904-L926 HydrophobicContact CB-CD1 3.89Å; L904-L926 HydrophobicContact CB-CD2 4.07Å; L904-L926 HydrophobicContact CB-CG 3.82Å; L904-L926 HydrophobicContact CD2-CD2 4.32Å; L926-L931 HydrophobicContact CD2-CD1 4.11Å | ||
| 927 | A | 91.2 | Very high | 87.9 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -67.6 | 132.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q902 S925 H929 N930 L931 | Q902-A927 HydrophobicContact CB-CB 4.5Å; S925-A927 PolarHBondContact OG-N 2.87Å; A927-H929 PolarHBondContact O-N 3.26Å; A927-N930 CarbonylContact O-C 3.5Å; A927-N930 PolarHBondContact O-N 2.73Å; A927-N930 PolarHBondContact O-OD1 3.14Å; A927-L931 PolarHBondContact O-N 2.96Å |
| 928 | P | 88.1 | Confident | 89.7 | Confident | 130 Ų | 130 | 40.9 Ų | 40.9 | 84% | 0.844 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.4 | -169 | -30.3 | 35.6 | 0 | 0 | 0 | 117.1 | ||
| 929 | H | 89.8 | Confident | 90.9 | Very high | 164 Ų | 164 | 42.1 Ų | 42.1 | 76% | 0.759 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -12.6 | -179.8 | 63.2 | -87.1 | 0 | 0 | 0 | 114 | A927 | A927-H929 PolarHBondContact O-N 3.26Š|
| 930 | N | 91.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -150.5 | 33 | 177 | 68.4 | -23 | 0 | 0 | 0 | 112.5 | S925 A927 G932 E933 | S925-N930 WeakPolarHBondContact CB-O 3.35Å; S925-N930 WeakPolarHBondContact CB-OD1 3.5Å; S925-N930 PolarHBondContact OG-OD1 3.03Å; A927-N930 CarbonylContact O-C 3.5Å; A927-N930 PolarHBondContact O-N 2.73Å; A927-N930 PolarHBondContact O-OD1 3.14Å; N930-G932 PolarHBondContact O-N 3.33Å; N930-E933 HydrophobicContact CB-CB 4.11Å; N930-E933 WeakPolarHBondContact CB-OE2 3.49Å; N930-E933 PolarHBondContact ND2-OE2 2.89Å; N930-E933 WeakPolarHBondContact O-CB 3.15Å; N930-E933 PolarHBondContact O-N 3.36Å |
| 931 | L | 93.3 | Very high | 89.4 | Confident | 82 Ų | 82 | 46.1 Ų | 46.1 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 125.1 | 178.8 | 178.4 | 62.2 | 0 | 0 | 0 | 111 | L883 L926 A927 | L883-L931 HydrophobicContact CD1-CD1 3.65Å; L883-L931 HydrophobicContact CD1-CG 3.97Å; L926-L931 HydrophobicContact CD2-CD1 4.11Å; A927-L931 PolarHBondContact O-N 2.96Å |
| 932 | G | 90.3 | Very high | 87.6 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -0.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y924 S925 N930 M934 | Y924-G932 WeakPolarHBondContact CD1-O 3.41Å; S925-G932 PolarHBondContact O-N 3.15Å; N930-G932 PolarHBondContact O-N 3.33Å; G932-M934 PolarHBondContact O-N 3.14Å |
| 933 | E | 92.7 | Very high | 85.8 | Confident | 105 Ų | 105 | 48.8 Ų | 48.8 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | trans | -69 | 126.4 | 172.5 | -170.8 | -177.8 | -162.8 | 0 | 0 | 111 | Y924 S925 N930 L935 | Y924-E933 CarbonylContact C-O 3.51Å; Y924-E933 VanDerWaalsContact CA-O 3.3Å; Y924-E933 WeakPolarHBondContact CA-O 3.35Å; S925-E933 PolarHBondContact N-O 2.97Å; N930-E933 HydrophobicContact CB-CB 4.11Å; N930-E933 WeakPolarHBondContact CB-OE2 3.49Å; N930-E933 PolarHBondContact ND2-OE2 2.89Å; N930-E933 WeakPolarHBondContact O-CB 3.15Å; N930-E933 PolarHBondContact O-N 3.36Å; E933-L935 HydrophobicContact CB-CD2 4.16Å; E933-L935 HydrophobicContact CG-CD2 3.88Å; E933-L935 PolarHBondContact O-N 3.42Å; E933-L935 VanDerWaalsContact O-N 3.08Å; E933-L935 WeakPolarHBondContact OE2-CD2 3.25Å | ||
| 934 | M | 92.7 | Very high | 84.7 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 36% | 0.355 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 87.2 | 178.6 | -171.3 | 179.6 | 65.3 | 0 | 0 | 111 | I908 A922 I923 Y924 G932 T937 G987 | I908-M934 HydrophobicContact CD1-SD 4.29Å; A922-M934 HydrophobicContact CB-CG 4.19Å; A922-M934 HydrophobicContact CB-SD 4.11Å; I923-M934 CarbonylContact O-C 3.6Å; Y924-M934 HydrophobicContact CD1-CB 3.99Å; Y924-M934 HydrophobicContact CD1-CG 4.44Å; Y924-M934 HydrophobicContact CE1-CB 3.77Å; Y924-M934 HydrophobicContact CE1-CG 4.06Å; G932-M934 PolarHBondContact O-N 3.14Å; M934-T937 HydrophobicContact CE-CG2 3.58Å; M934-T937 HydrophobicContact CG-CG2 3.82Å; M934-T937 HydrophobicContact SD-CG2 3.43Å; M934-T937 WeakPolarHBondContact SD-CG2 3.3Å; M934-G987 WeakPolarHBondContact O-CA 3.49Å |
| 935 | L | 92.9 | Very high | 84 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -40.1 | -172.9 | -59 | -175.1 | 0 | 0 | 0 | 114 | L903 I923 E933 P985 H986 G987 | L903-L935 HydrophobicContact CD2-CD1 3.7Å; I923-L935 PolarHBondContact O-N 3.31Å; E933-L935 HydrophobicContact CB-CD2 4.16Å; E933-L935 HydrophobicContact CG-CD2 3.88Å; E933-L935 PolarHBondContact O-N 3.42Å; E933-L935 VanDerWaalsContact O-N 3.08Å; E933-L935 WeakPolarHBondContact OE2-CD2 3.25Å; L935-P985 HydrophobicContact CB-CB 3.91Å; L935-P985 HydrophobicContact CD2-CB 4.08Å; L935-P985 HydrophobicContact CG-CB 4.4Å; L935-P985 CarbonylContact O-C 3.51Å; L935-P985 VanDerWaalsContact O-CA 3.28Å; L935-P985 WeakPolarHBondContact O-CA 3.47Å; L935-H986 PolarHBondContact O-N 3.26Å; L935-G987 PolarHBondContact O-N 3.43Å |
| 936 | Y | 93.7 | Very high | 83.3 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.3 | -175.8 | -52.6 | -94.1 | 0 | 0 | 0 | 111.5 | A922 I923 L982 P985 S991 M992 | A922-Y936 WeakPolarHBondContact CA-O 3.24Å; I923-Y936 HydrophobicContact CB-CD2 4.09Å; I923-Y936 HydrophobicContact CD1-CD2 4.49Å; I923-Y936 HydrophobicContact CG2-CD2 4.22Å; I923-Y936 PolarHBondContact N-O 3.1Å; I923-Y936 PolarHBondContact O-N 2.9Å; Y936-L982 HydrophobicContact CD1-CB 4.09Å; Y936-L982 HydrophobicContact CD1-CD2 4.12Å; Y936-L982 HydrophobicContact CD2-CD1 4.17Å; Y936-L982 HydrophobicContact CE1-CB 3.69Å; Y936-L982 HydrophobicContact CE2-CB 4.45Å; Y936-L982 HydrophobicContact CE2-CD1 4.04Å; Y936-L982 HydrophobicContact CG-CD2 4.14Å; Y936-P985 HydrophobicContact CE1-CB 4.39Å; Y936-P985 HydrophobicContact CE2-CB 4.22Å; Y936-S991 WeakPolarHBondContact CA-OG 3.44Å; Y936-M992 VanDerWaalsContact CB-CE 3.46Å |
| 937 | T | 92.3 | Very high | 83.1 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150.8 | 174 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | L921 M934 G987 G988 S991 | L921-T937 CarbonylContact O-C 3.57Å; L921-T937 VanDerWaalsContact O-CA 3.28Å; L921-T937 WeakPolarHBondContact O-CA 3.48Å; M934-T937 HydrophobicContact CE-CG2 3.58Å; M934-T937 HydrophobicContact CG-CG2 3.82Å; M934-T937 HydrophobicContact SD-CG2 3.43Å; M934-T937 WeakPolarHBondContact SD-CG2 3.3Å; T937-G987 WeakPolarHBondContact CG2-O 3.39Å; T937-G987 PolarHBondContact OG1-O 3.19Å; T937-G988 VanDerWaalsContact OG1-C 3.23Å; T937-G988 WeakPolarHBondContact OG1-CA 3.46Å; T937-S991 PolarHBondContact N-OG 3.06Å; T937-S991 VanDerWaalsContact N-OG 3.13Å |
| 938 | K | 88.9 | Confident | 83.3 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 21% | 0.213 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 124.3 | 167.3 | -160.2 | 54.4 | 162.7 | 179.2 | 0 | 112.7 | I920 L921 F940 F980 E989 M992 | I920-K938 CarbonylContact C-O 3.57Å; I920-K938 WeakPolarHBondContact CA-O 3.36Å; I920-K938 WeakPolarHBondContact CG2-O 3.3Å; L921-K938 PolarHBondContact N-O 3.17Å; L921-K938 PolarHBondContact O-N 2.9Å; K938-F940 HydrophobicContact CB-CE2 4.07Å; K938-F940 HydrophobicContact CB-CZ 4.43Å; K938-F940 HydrophobicContact CG-CE2 4.25Å; K938-F940 HydrophobicContact CG-CZ 4.27Å; K938-F940 WeakPolarHBondContact O-CD2 3.11Å; K938-F940 WeakPolarHBondContact O-CE2 3.38Å; K938-F980 HydrophobicContact CG-CD1 4.41Å; K938-F980 HydrophobicContact CG-CE1 4.04Å; K938-F980 HydrophobicContact CG-CZ 4.44Å; K938-E989 PolarHBondContact NZ-O 3.1Å; K938-M992 HydrophobicContact CB-CB 4.45Å; K938-M992 HydrophobicContact CB-SD 3.78Å; K938-M992 HydrophobicContact CD-CB 4.49Å |
| 939 | R | 85.3 | Confident | 83.6 | Confident | 86 Ų | 86 | 42.5 Ų | 42.5 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 144.6 | 171.8 | -63.5 | -171.4 | -174.8 | -93.2 | -13.1 | 111.4 | S910 I920 E989 | S910-R939 PolarHBondContact OG-NH1 2.98Å; I920-R939 HydrophobicContact CD1-CG 4.37Å; I920-R939 HydrophobicContact CG1-CG 4.19Å; I920-R939 HydrophobicContact CG2-CG 4.28Å; R939-E989 WeakPolarHBondContact CD-OE1 3.47Å; R939-E989 HydrophobicContact CG-CG 4.35Å; R939-E989 WeakPolarHBondContact CG-OE1 3.25Å; R939-E989 IonicContact NE-OE1 3.63Å; R939-E989 PolarHBondContact NE-OE1 3.48Å |
| 940 | F | 74 | Confident | 83.9 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 89.2 | 173.8 | -67.6 | -93.7 | 0 | 0 | 0 | 110.5 | G919 L921 K938 G942 V959 F980 | G919-F940 PolarHBondContact O-N 3.41Å; L921-F940 HydrophobicContact CB-CE2 3.74Å; K938-F940 HydrophobicContact CB-CE2 4.07Å; K938-F940 HydrophobicContact CB-CZ 4.43Å; K938-F940 HydrophobicContact CG-CE2 4.25Å; K938-F940 HydrophobicContact CG-CZ 4.27Å; K938-F940 WeakPolarHBondContact O-CD2 3.11Å; K938-F940 WeakPolarHBondContact O-CE2 3.38Å; F940-G942 PolarHBondContact O-N 3.16Å; F940-V959 HydrophobicContact CE1-CB 4.4Å; F940-V959 HydrophobicContact CE1-CG1 4.14Å; F940-V959 HydrophobicContact CE2-CG2 4.48Å; F940-V959 HydrophobicContact CZ-CB 4.17Å; F940-V959 HydrophobicContact CZ-CG1 4.06Å; F940-V959 HydrophobicContact CZ-CG2 3.86Å; F940-F980 AromaticContact CE1-CE2 3.78Å; F940-F980 HydrophobicContact CE1-CE2 3.78Å; F940-F980 AromaticContact CE1-CZ 3.66Å; F940-F980 HydrophobicContact CE1-CZ 3.66Å; F940-F980 AromaticContact CZ-CE2 3.64Å; F940-F980 HydrophobicContact CZ-CE2 3.64Å; F940-F980 AromaticContact CZ-CZ 3.76Å; F940-F980 HydrophobicContact CZ-CZ 3.76Å |
| 941 | A | 53.8 | Low | 83.9 | Confident | 96 Ų | 96 | 33.4 Ų | 33.4 | 79% | 0.793 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -75.6 | 61.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 942 | G | 55.3 | Low | 83.7 | Confident | 16 Ų | 16 | 30.4 Ų | 30.4 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -174.2 | -167.6 | -161.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F940 R964 | F940-G942 PolarHBondContact O-N 3.16Å; G942-R964 PolarHBondContact O-NE 3.05Å; G942-R964 PolarHBondContact O-NH2 2.91Å |
| 943 | P | 55.1 | Low | 83.6 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 26% | 0.26 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -51.4 | 144.1 | -179 | 20.9 | -34 | 0 | 0 | 0 | 113.1 | A945 L961 A962 R964 | P943-A945 PolarHBondContact O-N 2.74Å; P943-A945 VanDerWaalsContact O-N 3.16Å; P943-L961 HydrophobicContact CB-CB 4.41Å; P943-L961 HydrophobicContact CG-CD1 3.96Å; P943-L961 HydrophobicContact CG-CD2 4.4Å; P943-A962 WeakPolarHBondContact CB-O 3.23Å; P943-R964 HydrophobicContact CB-CG 4.38Å |
| 944 | N | 71.1 | Confident | 83.4 | Confident | 24 Ų | 24 | 26.1 Ų | 26.1 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 116.8 | -165.9 | -59 | 22.3 | 0 | 0 | 0 | 109.4 | I855 A962 R964 | I855-N944 VanDerWaalsContact CD1-ND2 3.33Å; I855-N944 WeakPolarHBondContact CD1-ND2 3.4Å; N944-A962 PolarHBondContact O-N 3.27Å; N944-R964 PolarHBondContact OD1-NE 3.01Å; N944-R964 PolarHBondContact OD1-NH2 2.73Å |
| 945 | A | 81.6 | Confident | 83.3 | Confident | 10 Ų | 10 | 24.5 Ų | 24.5 | 8% | 0.083 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y890 F907 P943 V959 L961 | Y890-A945 WeakPolarHBondContact CE2-O 3.13Å; F907-A945 HydrophobicContact CD1-CB 4.09Å; F907-A945 HydrophobicContact CE1-CB 3.49Å; F907-A945 VanDerWaalsContact CE1-CB 3.49Å; F907-A945 HydrophobicContact CE2-CB 4.49Å; F907-A945 HydrophobicContact CZ-CB 3.73Å; P943-A945 PolarHBondContact O-N 2.74Å; P943-A945 VanDerWaalsContact O-N 3.16Å; A945-V959 HydrophobicContact CB-CG1 3.5Å; A945-V959 VanDerWaalsContact CB-CG1 3.5Å; A945-L961 HydrophobicContact CB-CD2 4.31Å |
| 946 | I | 81.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | -40.3 | -175.2 | -68.7 | -174.6 | 0 | 0 | 0 | 111.9 | V851 A852 Y890 S894 G960 A962 | V851-I946 HydrophobicContact CG1-CG2 4.41Å; A852-I946 HydrophobicContact CB-CD1 3.48Å; A852-I946 VanDerWaalsContact CB-CD1 3.48Å; Y890-I946 HydrophobicContact CD2-CB 4.35Å; Y890-I946 HydrophobicContact CD2-CG1 4.35Å; Y890-I946 HydrophobicContact CD2-CG2 4.27Å; Y890-I946 HydrophobicContact CE2-CG1 4.44Å; Y890-I946 HydrophobicContact CG-CG2 4.41Å; S894-I946 WeakPolarHBondContact CA-O 3.33Å; S894-I946 WeakPolarHBondContact CB-O 3.14Å; S894-I946 PolarHBondContact OG-O 2.79Å; I946-G960 PolarHBondContact N-O 2.91Å; I946-A962 HydrophobicContact CD1-CB 3.71Å; I946-A962 HydrophobicContact CG1-CB 4.41Å |
| 947 | S | 90.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.8 | 179.1 | 43.6 | 0 | 0 | 0 | 0 | 111.6 | A893 V959 G960 I1012 A1015 | A893-S947 CarbonylContact O-C 3.59Å; A893-S947 WeakPolarHBondContact O-CA 3.44Å; A893-S947 WeakPolarHBondContact O-CB 3.34Å; S947-V959 CarbonylContact O-C 3.46Å; S947-V959 WeakPolarHBondContact O-CA 3.24Å; S947-G960 PolarHBondContact N-O 3.42Å; S947-G960 PolarHBondContact O-N 3.43Å; S947-I1012 WeakPolarHBondContact OG-CG2 3.42Å; S947-A1015 PolarHBondContact OG-N 3.3Å |
| 948 | V | 94.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.3 | 175 | 67.3 | 0 | 0 | 0 | 0 | 108.2 | A893 D896 A905 F907 L921 V957 M958 | A893-V948 PolarHBondContact O-N 3.04Å; D896-V948 HydrophobicContact CB-CG1 4.31Å; A905-V948 HydrophobicContact CB-CG1 4.3Å; A905-V948 HydrophobicContact CB-CG2 3.82Å; F907-V948 HydrophobicContact CE2-CB 4.11Å; F907-V948 HydrophobicContact CE2-CG1 4.41Å; F907-V948 HydrophobicContact CZ-CB 3.84Å; L921-V948 HydrophobicContact CD1-CG2 3.76Å; L921-V948 HydrophobicContact CD2-CG2 4.44Å; V948-V957 HydrophobicContact CG2-CG2 3.48Å; V948-V957 VanDerWaalsContact CG2-CG2 3.48Å; V948-M958 CarbonylContact C-O 3.5Å; V948-M958 VanDerWaalsContact CA-O 3.31Å; V948-M958 WeakPolarHBondContact CA-O 3.28Å |
| 949 | S | 95.7 | Very high | 83.6 | Confident | 5 Ų | 5 | 19.8 Ų | 19.8 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 139.6 | 165.5 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | D896 V957 M958 W1017 | D896-S949 WeakPolarHBondContact OD2-CA 3.49Å; D896-S949 WeakPolarHBondContact OD2-CB 2.77Å; D896-S949 PolarHBondContact OD2-OG 3.43Å; S949-V957 CarbonylContact O-C 3.52Å; S949-V957 WeakPolarHBondContact O-CA 3.38Å; S949-M958 PolarHBondContact N-O 3.11Å; S949-M958 PolarHBondContact O-N 2.81Å; S949-W1017 PolarHBondContact O-NE1 2.84Å; S949-W1017 PolarHBondContact OG-N 2.91Å |
| 950 | L | 94.8 | Very high | 83.8 | Confident | 8 Ų | 8 | 15.8 Ų | 15.8 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 145.1 | 176.7 | -68.1 | 167.2 | 0 | 0 | 0 | 110 | D896 L903 A905 I923 V957 | D896-L950 PolarHBondContact OD2-N 2.87Å; L903-L950 HydrophobicContact CB-CD1 4.19Å; A905-L950 HydrophobicContact CB-CD1 4.05Å; A905-L950 HydrophobicContact CB-CD2 4.14Å; A905-L950 HydrophobicContact CB-CG 3.99Å; I923-L950 HydrophobicContact CD1-CD2 4.01Å; L950-V957 HydrophobicContact CD2-CB 4.05Å; L950-V957 HydrophobicContact CD2-CG2 4.04Å |
| 951 | S | 92.9 | Very high | 84.3 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | trans | -70.2 | 156.2 | 174 | 66 | 0 | 0 | 0 | 0 | 111 | E34 M953 G954 C955 Y956 | E34-S951 VanDerWaalsContact OE1-CB 3.29Å; E34-S951 WeakPolarHBondContact OE1-CB 3.29Å; E34-S951 PolarHBondContact OE1-OG 3.39Å; S951-M953 PolarHBondContact O-N 2.89Å; S951-M953 VanDerWaalsContact O-N 3.11Å; S951-G954 WeakPolarHBondContact O-CA 3.34Å; S951-G954 PolarHBondContact O-N 3.04Å; S951-C955 PolarHBondContact OG-N 3.28Å; S951-C955 VanDerWaalsContact OG-N 3.14Å; S951-Y956 PolarHBondContact N-O 2.96Å; S951-Y956 PolarHBondContact OG-N 2.86Å; S951-Y956 PolarHBondContact OG-O 3.45Å | ||
| 952 | P | 89.1 | Confident | 85.3 | Confident | 19 Ų | 19 | 10.7 Ų | 10.7 | 12% | 0.123 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.2 | -177.3 | -29.2 | 36.7 | 0 | 0 | 0 | 114.5 | L1018 P1019 P1021 | P952-L1018 VanDerWaalsContact CG-O 3.27Å; P952-L1018 WeakPolarHBondContact CG-O 3.42Å; P952-P1019 VanDerWaalsContact CB-O 3.32Å; P952-P1019 WeakPolarHBondContact CB-O 3.26Å; P952-P1019 VanDerWaalsContact CG-O 3.23Å; P952-P1019 WeakPolarHBondContact CG-O 3.33Å; P952-P1021 HydrophobicContact CB-CG 4.05Å |
| 953 | M | 88.2 | Confident | 85.9 | Confident | 28 Ų | 28 | 11.2 Ų | 11.2 | 14% | 0.138 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 11.2 | 174.6 | -57.5 | -73.2 | 94.6 | 0 | 0 | 114.5 | R27 Q30 L31 E34 S951 C955 P1021 | R27-M953 HydrophobicContact CG-SD 4.04Å; Q30-M953 HydrophobicContact CB-CE 4.41Å; Q30-M953 HydrophobicContact CB-CG 4.23Å; Q30-M953 HydrophobicContact CB-SD 3.58Å; Q30-M953 VanDerWaalsContact CB-SD 3.58Å; L31-M953 HydrophobicContact CD2-CB 3.69Å; L31-M953 HydrophobicContact CD2-CG 4.21Å; L31-M953 HydrophobicContact CG-CB 4.34Å; L31-M953 HydrophobicContact CG-CG 4.34Å; L31-M953 HydrophobicContact CG-SD 4.25Å; E34-M953 VanDerWaalsContact OE2-CB 3.32Å; E34-M953 WeakPolarHBondContact OE2-CB 3.38Å; E34-M953 WeakPolarHBondContact OE2-CG 3.25Å; E34-M953 PolarHBondContact OE2-N 2.99Å; E34-M953 VanDerWaalsContact OE2-N 3.08Å; S951-M953 PolarHBondContact O-N 2.89Å; S951-M953 VanDerWaalsContact O-N 3.11Å; M953-C955 PolarHBondContact O-N 3Å; M953-C955 VanDerWaalsContact O-N 3.12Å; M953-C955 PolarHBondContact O-SG 3.46Å; M953-P1021 HydrophobicContact CE-CG 4.3Å; M953-P1021 HydrophobicContact CG-CG 4.09Å |
| 954 | G | 89.1 | Confident | 86 | Confident | 14 Ų | 14 | 14.5 Ų | 14.5 | 14% | 0.144 | 8% | 0.081 | C | C | . | . | S | Bend | trans | 64.7 | 12.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S951 | S951-G954 WeakPolarHBondContact O-CA 3.34Å; S951-G954 PolarHBondContact O-N 3.04Å |
| 955 | C | 89.8 | Confident | 84.7 | Confident | 39 Ų | 39 | 20.5 Ų | 20.5 | 26% | 0.264 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -88.9 | -18 | -174.7 | -70.8 | 0 | 0 | 0 | 0 | 113.8 | L31 E34 S951 M953 L982 | L31-C955 VanDerWaalsContact CD2-SG 3.51Å; E34-C955 WeakPolarHBondContact OE1-CB 3.37Å; S951-C955 PolarHBondContact OG-N 3.28Å; S951-C955 VanDerWaalsContact OG-N 3.14Å; M953-C955 PolarHBondContact O-N 3Å; M953-C955 VanDerWaalsContact O-N 3.12Å; M953-C955 PolarHBondContact O-SG 3.46Å; C955-L982 PolarHBondContact O-N 3.4Å |
| 956 | Y | 92.5 | Very high | 83.1 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 155.8 | -179.9 | -57.1 | -87.4 | 0 | 0 | 0 | 111.1 | E34 R38 S951 V979 F980 R981 V995 | E34-Y956 HydrophobicContact CG-CD2 4.08Å; E34-Y956 HydrophobicContact CG-CE2 4.04Å; E34-Y956 WeakPolarHBondContact OE1-CD2 3.32Å; R38-Y956 WeakPolarHBondContact CD-OH 3.03Å; R38-Y956 PolarHBondContact NH1-OH 3.45Å; S951-Y956 PolarHBondContact N-O 2.96Å; S951-Y956 PolarHBondContact OG-N 2.86Å; S951-Y956 PolarHBondContact OG-O 3.45Å; Y956-V979 HydrophobicContact CD1-CG1 4.32Å; Y956-F980 CarbonylContact C-O 3.57Å; Y956-F980 WeakPolarHBondContact CA-O 3.46Å; Y956-F980 WeakPolarHBondContact CB-O 3Å; Y956-R981 HydrophobicContact CD1-CB 3.82Å; Y956-R981 HydrophobicContact CD1-CG 4.08Å; Y956-R981 HydrophobicContact CE1-CB 3.6Å; Y956-R981 HydrophobicContact CE1-CG 3.59Å; Y956-V995 HydrophobicContact CD1-CG2 4.08Å; Y956-V995 HydrophobicContact CE1-CG2 4Å |
| 957 | V | 94.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.1 | 169 | 65 | 0 | 0 | 0 | 0 | 108.9 | L921 I923 V948 S949 L950 F980 L982 M992 | L921-V957 HydrophobicContact CD2-CG1 3.88Å; L921-V957 HydrophobicContact CD2-CG2 3.93Å; I923-V957 HydrophobicContact CD1-CB 4.3Å; I923-V957 HydrophobicContact CD1-CG1 4.3Å; I923-V957 HydrophobicContact CD1-CG2 4.47Å; V948-V957 HydrophobicContact CG2-CG2 3.48Å; V948-V957 VanDerWaalsContact CG2-CG2 3.48Å; S949-V957 CarbonylContact O-C 3.52Å; S949-V957 WeakPolarHBondContact O-CA 3.38Å; L950-V957 HydrophobicContact CD2-CB 4.05Å; L950-V957 HydrophobicContact CD2-CG2 4.04Å; V957-F980 HydrophobicContact CG1-CB 3.95Å; V957-F980 PolarHBondContact N-O 3.06Å; V957-F980 PolarHBondContact O-N 2.74Å; V957-L982 HydrophobicContact CG1-CD2 3.96Å; V957-M992 HydrophobicContact CG1-CE 4.42Å; V957-M992 HydrophobicContact CG1-SD 3.93Å |
| 958 | M | 93.8 | Very high | 79.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 141.6 | 171.3 | 177 | 174.5 | 58.1 | 0 | 0 | 109 | V948 S949 A977 Q978 V979 A1015 W1017 L1025 | V948-M958 CarbonylContact C-O 3.5Å; V948-M958 VanDerWaalsContact CA-O 3.31Å; V948-M958 WeakPolarHBondContact CA-O 3.28Å; S949-M958 PolarHBondContact N-O 3.11Å; S949-M958 PolarHBondContact O-N 2.81Å; M958-A977 HydrophobicContact CG-CB 4.08Å; M958-A977 HydrophobicContact SD-CB 4.2Å; M958-Q978 CarbonylContact C-O 3.54Å; M958-Q978 WeakPolarHBondContact CA-O 3.28Å; M958-V979 HydrophobicContact CB-CG2 4.17Å; M958-V979 HydrophobicContact CG-CG2 4.2Å; M958-A1015 HydrophobicContact CE-CB 3.7Å; M958-A1015 HydrophobicContact SD-CB 4.3Å; M958-W1017 HydrophobicContact CB-CZ2 4.47Å; M958-L1025 HydrophobicContact CE-CB 4.28Å; M958-L1025 HydrophobicContact SD-CB 4.28Å; M958-L1025 HydrophobicContact SD-CD1 4.02Å; M958-L1025 HydrophobicContact SD-CD2 3.88Å; M958-L1025 HydrophobicContact SD-CG 4.28Å |
| 959 | V | 92.7 | Very high | 76.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 114.3 | 172.8 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | F907 L921 F940 A945 S947 L961 A977 Q978 F980 | F907-V959 HydrophobicContact CE1-CG1 4.03Å; F907-V959 HydrophobicContact CZ-CG1 4.07Å; L921-V959 HydrophobicContact CD2-CG2 3.72Å; F940-V959 HydrophobicContact CE1-CB 4.4Å; F940-V959 HydrophobicContact CE1-CG1 4.14Å; F940-V959 HydrophobicContact CE2-CG2 4.48Å; F940-V959 HydrophobicContact CZ-CB 4.17Å; F940-V959 HydrophobicContact CZ-CG1 4.06Å; F940-V959 HydrophobicContact CZ-CG2 3.86Å; A945-V959 HydrophobicContact CB-CG1 3.5Å; A945-V959 VanDerWaalsContact CB-CG1 3.5Å; S947-V959 CarbonylContact O-C 3.46Å; S947-V959 WeakPolarHBondContact O-CA 3.24Å; V959-L961 HydrophobicContact CG1-CD2 4.1Å; V959-A977 CarbonylContact O-C 3.56Å; V959-A977 WeakPolarHBondContact O-CA 3.46Å; V959-A977 VanDerWaalsContact O-CB 3.29Å; V959-A977 WeakPolarHBondContact O-CB 3.28Å; V959-Q978 PolarHBondContact N-O 3.42Å; V959-Q978 PolarHBondContact O-N 2.91Å; V959-F980 HydrophobicContact CG2-CD2 4.47Å; V959-F980 HydrophobicContact CG2-CE2 4.33Å |
| 960 | G | 89.8 | Confident | 74.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I946 S947 | I946-G960 PolarHBondContact N-O 2.91Å; S947-G960 PolarHBondContact N-O 3.42Å; S947-G960 PolarHBondContact O-N 3.43Å |
| 961 | L | 84.3 | Confident | 72.4 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147.1 | -165.9 | -56.5 | 171.4 | 0 | 0 | 0 | 112.1 | P943 A945 V959 M975 V976 Q978 I1012 | P943-L961 HydrophobicContact CB-CB 4.41Å; P943-L961 HydrophobicContact CG-CD1 3.96Å; P943-L961 HydrophobicContact CG-CD2 4.4Å; A945-L961 HydrophobicContact CB-CD2 4.31Å; V959-L961 HydrophobicContact CG1-CD2 4.1Å; L961-M975 HydrophobicContact CD1-CE 3.96Å; L961-M975 HydrophobicContact CD1-CG 4.32Å; L961-V976 WeakPolarHBondContact CB-O 3.38Å; L961-V976 PolarHBondContact N-O 3.42Å; L961-Q978 HydrophobicContact CD1-CG 4.08Å; L961-I1012 PolarHBondContact O-N 2.95Å; L961-I1012 VanDerWaalsContact O-N 3.17Å |
| 962 | A | 76.1 | Confident | 70.5 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 5% | 0.05 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -88.5 | 136.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A852 P943 N944 I946 R964 S1011 | A852-A962 HydrophobicContact CB-CB 3.85Å; P943-A962 WeakPolarHBondContact CB-O 3.23Å; N944-A962 PolarHBondContact O-N 3.27Å; I946-A962 HydrophobicContact CD1-CB 3.71Å; I946-A962 HydrophobicContact CG1-CB 4.41Å; A962-R964 PolarHBondContact O-N 3.05Å; A962-S1011 WeakPolarHBondContact CA-OG 3.27Å |
| 963 | S | 66.9 | Low | 69.3 | Low | 28 Ų | 28 | 61.4 Ų | 61.4 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 130.4 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | H1009 V1010 S1011 | S963-H1009 PolarHBondContact OG-ND1 2.89Å; S963-V1010 WeakPolarHBondContact CB-O 3.38Å; S963-S1011 PolarHBondContact N-OG 3.5Å |
| 964 | R | 56.6 | Low | 68.6 | Low | 109 Ų | 109 | 61.5 Ų | 61.5 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 138.5 | 169.4 | -71.7 | -178.9 | 165.9 | -173.5 | -6 | 109.6 | G942 P943 N944 A962 I966 H1009 | G942-R964 PolarHBondContact O-NE 3.05Å; G942-R964 PolarHBondContact O-NH2 2.91Å; P943-R964 HydrophobicContact CB-CG 4.38Å; N944-R964 PolarHBondContact OD1-NE 3.01Å; N944-R964 PolarHBondContact OD1-NH2 2.73Å; A962-R964 PolarHBondContact O-N 3.05Å; R964-I966 PolarHBondContact O-N 2.83Å; R964-H1009 PolarHBondContact O-CE1 3.31Å; R964-H1009 VanDerWaalsContact O-CE1 3.24Å; R964-H1009 PolarHBondContact O-ND1 3.05Å |
| 965 | R | 44.7 | Very low | 68.3 | Low | 150 Ų | 150 | 64.3 Ų | 64.3 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -66.3 | 5.2 | -174 | -70.7 | -175 | 177.1 | -120.2 | -2 | 115.9 | A840 G841 H1009 | A840-R965 PolarHBondContact O-NE 2.95Å; A840-R965 PolarHBondContact O-NH2 2.99Å; G841-R965 VanDerWaalsContact C-NH2 3.3Å; G841-R965 PolarHBondContact O-NH2 3.32Å; R965-H1009 VanDerWaalsContact C-CE1 3.48Å; R965-H1009 VanDerWaalsContact CA-CE1 3.45Å; R965-H1009 WeakPolarHBondContact CA-CE1 3.37Å; R965-H1009 PolarHBondContact O-NE2 3.16Å |
| 966 | I | 46.8 | Very low | 68 | Low | 136 Ų | 136 | 62.5 Ų | 62.5 | 70% | 0.697 | 32% | 0.322 | S | S | * | . | trans | -131.3 | 97.8 | -178.4 | -53.9 | 178.1 | 0 | 0 | 0 | 108.4 | R964 L968 | R964-I966 PolarHBondContact O-N 2.83Å; I966-L968 HydrophobicContact CG2-CG 4.18Å | ||
| 967 | L | 46.1 | Very low | 67.8 | Low | 93 Ų | 93 | 62.1 Ų | 62.1 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | trans | -107.9 | 109.4 | 167.6 | -73.2 | 167.5 | 0 | 0 | 0 | 107.8 | H969 H974 | L967-H969 VanDerWaalsContact C-N 3.28Å; L967-H974 WeakPolarHBondContact CD1-CE1 3.41Å | ||
| 968 | L | 43.3 | Very low | 67.5 | Low | 161 Ų | 161 | 63.3 Ų | 63.3 | 84% | 0.843 | 33% | 0.326 | S | S | * | . | trans | -81.7 | -5.6 | 179 | -72.9 | 165.5 | 0 | 0 | 0 | 113.1 | I966 | I966-L968 HydrophobicContact CG2-CG 4.18Š| ||
| 969 | H | 44.6 | Very low | 67.4 | Low | 153 Ų | 153 | 63.2 Ų | 63.2 | 71% | 0.708 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -117.9 | 136.5 | 178.1 | -78.8 | -75.3 | 0 | 0 | 0 | 111.8 | L967 S971 | L967-H969 VanDerWaalsContact C-N 3.28Å; H969-S971 PolarHBondContact O-N 3.38Å |
| 970 | P | 46.6 | Very low | 67.4 | Low | 135 Ų | 135 | 63.4 Ų | 63.4 | 88% | 0.877 | 33% | 0.326 | S | S | * | . | trans | -84.4 | 60.3 | 177.4 | 36.4 | -36.4 | 0 | 0 | 0 | 111.4 | ||||
| 971 | S | 52.1 | Low | 67.5 | Low | 61 Ų | 61 | 66.6 Ų | 66.6 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | trans | -82.4 | 127.4 | 170.4 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | H969 D973 | H969-S971 PolarHBondContact O-N 3.38Å; S971-D973 PolarHBondContact O-N 3.47Å | ||
| 972 | T | 52.5 | Low | 67.9 | Low | 71 Ų | 71 | 67.2 Ų | 67.2 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -60.3 | -22.2 | 172 | 45.7 | 0 | 0 | 0 | 0 | 113.6 | M1002 | T972-M1002 WeakPolarHBondContact O-CB 3.47Å; T972-M1002 PolarHBondContact O-N 2.9Å |
| 973 | D | 63.4 | Low | 68.4 | Low | 94 Ų | 94 | 71.6 Ų | 71.6 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 99.1 | -165.2 | -77.8 | 46.8 | 0 | 0 | 0 | 109.9 | S971 M975 V999 | S971-D973 PolarHBondContact O-N 3.47Å; D973-M975 PolarHBondContact O-N 2.88Å; D973-V999 HydrophobicContact CB-CG1 3.6Å |
| 974 | H | 75.2 | Confident | 69.2 | Low | 31 Ų | 31 | 76.7 Ų | 76.7 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110.8 | -179.9 | -72.8 | -111.9 | 0 | 0 | 0 | 109.9 | L967 V976 V999 Y1000 M1002 | L967-H974 WeakPolarHBondContact CD1-CE1 3.41Å; H974-V976 PolarHBondContact O-N 3.3Å; H974-V999 WeakPolarHBondContact O-CA 3.26Å; H974-Y1000 PolarHBondContact N-O 3.05Å; H974-Y1000 PolarHBondContact O-N 3.02Å; H974-M1002 WeakPolarHBondContact CD2-CG 3.26Å |
| 975 | M | 81.5 | Confident | 70.7 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 120 | 170.8 | 179.7 | 176 | 71.1 | 0 | 0 | 110.1 | L961 D973 Q978 N997 | L961-M975 HydrophobicContact CD1-CE 3.96Å; L961-M975 HydrophobicContact CD1-CG 4.32Å; D973-M975 PolarHBondContact O-N 2.88Å; M975-Q978 HydrophobicContact CE-CG 4.42Å; M975-Q978 HydrophobicContact CG-CG 4.49Å; M975-Q978 HydrophobicContact SD-CG 3.75Å; M975-Q978 PolarHBondContact SD-NE2 3.11Å; M975-N997 HydrophobicContact CG-CB 4.09Å; M975-N997 HydrophobicContact SD-CB 3.97Å |
| 976 | V | 83.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -22.5 | -176.5 | -71.9 | 0 | 0 | 0 | 0 | 113.6 | L961 H974 V998 V1010 I1012 Y1027 | L961-V976 WeakPolarHBondContact CB-O 3.38Å; L961-V976 PolarHBondContact N-O 3.42Å; H974-V976 PolarHBondContact O-N 3.3Å; V976-V998 HydrophobicContact CG2-CG1 4.22Å; V976-V998 WeakPolarHBondContact CG2-O 3.33Å; V976-V998 PolarHBondContact N-O 3.1Å; V976-V1010 HydrophobicContact CG1-CG1 4.27Å; V976-I1012 HydrophobicContact CB-CD1 3.85Å; V976-I1012 HydrophobicContact CB-CG1 3.96Å; V976-I1012 HydrophobicContact CG2-CD1 4.12Å; V976-I1012 WeakPolarHBondContact O-CD1 3.42Å; V976-Y1027 HydrophobicContact CG2-CE1 4.36Å |
| 977 | A | 88.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 164.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112 | M958 V959 V998 I1012 | M958-A977 HydrophobicContact CG-CB 4.08Å; M958-A977 HydrophobicContact SD-CB 4.2Å; V959-A977 CarbonylContact O-C 3.56Å; V959-A977 WeakPolarHBondContact O-CA 3.46Å; V959-A977 VanDerWaalsContact O-CB 3.29Å; V959-A977 WeakPolarHBondContact O-CB 3.28Å; A977-V998 HydrophobicContact CB-CB 3.91Å; A977-V998 HydrophobicContact CB-CG2 4.03Å; A977-V998 PolarHBondContact N-O 3.41Å; A977-V998 PolarHBondContact O-N 2.97Å; A977-I1012 HydrophobicContact CB-CD1 4.08Å |
| 978 | Q | 88.9 | Confident | 75.8 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.7 | 174.3 | -67.2 | -172.1 | -38.1 | 0 | 0 | 110.5 | M958 V959 L961 M975 F980 | M958-Q978 CarbonylContact C-O 3.54Å; M958-Q978 WeakPolarHBondContact CA-O 3.28Å; V959-Q978 PolarHBondContact N-O 3.42Å; V959-Q978 PolarHBondContact O-N 2.91Å; L961-Q978 HydrophobicContact CD1-CG 4.08Å; M975-Q978 HydrophobicContact CE-CG 4.42Å; M975-Q978 HydrophobicContact CG-CG 4.49Å; M975-Q978 HydrophobicContact SD-CG 3.75Å; M975-Q978 PolarHBondContact SD-NE2 3.11Å; Q978-F980 HydrophobicContact CB-CD2 4.46Å; Q978-F980 HydrophobicContact CB-CE2 3.58Å; Q978-F980 HydrophobicContact CB-CZ 3.95Å |
| 979 | V | 91.7 | Very high | 77.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.9 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | Y956 M958 V995 F996 V998 W1017 | Y956-V979 HydrophobicContact CD1-CG1 4.32Å; M958-V979 HydrophobicContact CB-CG2 4.17Å; M958-V979 HydrophobicContact CG-CG2 4.2Å; V979-V995 PolarHBondContact O-N 2.95Å; V979-F996 HydrophobicContact CB-CD1 4.16Å; V979-F996 HydrophobicContact CB-CD2 4.38Å; V979-F996 HydrophobicContact CB-CE1 3.87Å; V979-F996 HydrophobicContact CB-CE2 4.11Å; V979-F996 HydrophobicContact CB-CG 4.4Å; V979-F996 HydrophobicContact CB-CZ 3.85Å; V979-F996 HydrophobicContact CG1-CD1 4.33Å; V979-F996 HydrophobicContact CG1-CE1 3.76Å; V979-F996 HydrophobicContact CG1-CZ 3.99Å; V979-F996 HydrophobicContact CG2-CD2 4.31Å; V979-F996 HydrophobicContact CG2-CE1 4.2Å; V979-F996 HydrophobicContact CG2-CE2 3.7Å; V979-F996 HydrophobicContact CG2-CZ 3.64Å; V979-F996 PolarHBondContact N-O 2.99Å; V979-V998 HydrophobicContact CG2-CG2 4.4Å; V979-W1017 HydrophobicContact CG1-CH2 4.24Å; V979-W1017 HydrophobicContact CG1-CZ2 3.83Å; V979-W1017 HydrophobicContact CG2-CZ2 4.15Å |
| 980 | F | 92.3 | Very high | 79.4 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.5 | 179.9 | -58.5 | -95.5 | 0 | 0 | 0 | 110.6 | K938 F940 Y956 V957 V959 Q978 M992 R993 M994 | K938-F980 HydrophobicContact CG-CD1 4.41Å; K938-F980 HydrophobicContact CG-CE1 4.04Å; K938-F980 HydrophobicContact CG-CZ 4.44Å; F940-F980 AromaticContact CE1-CE2 3.78Å; F940-F980 HydrophobicContact CE1-CE2 3.78Å; F940-F980 AromaticContact CE1-CZ 3.66Å; F940-F980 HydrophobicContact CE1-CZ 3.66Å; F940-F980 AromaticContact CZ-CE2 3.64Å; F940-F980 HydrophobicContact CZ-CE2 3.64Å; F940-F980 AromaticContact CZ-CZ 3.76Å; F940-F980 HydrophobicContact CZ-CZ 3.76Å; Y956-F980 CarbonylContact C-O 3.57Å; Y956-F980 WeakPolarHBondContact CA-O 3.46Å; Y956-F980 WeakPolarHBondContact CB-O 3Å; V957-F980 HydrophobicContact CG1-CB 3.95Å; V957-F980 PolarHBondContact N-O 3.06Å; V957-F980 PolarHBondContact O-N 2.74Å; V959-F980 HydrophobicContact CG2-CD2 4.47Å; V959-F980 HydrophobicContact CG2-CE2 4.33Å; Q978-F980 HydrophobicContact CB-CD2 4.46Å; Q978-F980 HydrophobicContact CB-CE2 3.58Å; Q978-F980 HydrophobicContact CB-CZ 3.95Å; F980-M992 HydrophobicContact CB-CB 4.29Å; F980-M992 HydrophobicContact CB-SD 4.49Å; F980-M992 HydrophobicContact CD1-CB 4.47Å; F980-R993 CarbonylContact C-O 3.54Å; F980-R993 WeakPolarHBondContact CA-O 3.44Å; F980-M994 HydrophobicContact CD1-CB 3.98Å; F980-M994 HydrophobicContact CE1-CB 3.86Å; F980-M994 HydrophobicContact CE1-CG 4.26Å |
| 981 | R | 92.3 | Very high | 81.4 | Confident | 67 Ų | 67 | 51.7 Ų | 51.7 | 25% | 0.253 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.4 | 169 | -171.1 | -175.9 | -173.9 | 155.9 | 14.6 | 109.4 | E35 Y956 M992 R993 V995 | E35-R981 IonicContact OE1-CZ 3.51Å; E35-R981 VanDerWaalsContact OE1-CZ 3.3Å; E35-R981 IonicContact OE1-NH1 2.74Å; E35-R981 PolarHBondContact OE1-NH1 3.11Å; E35-R981 IonicContact OE1-NH2 3.43Å; E35-R981 PolarHBondContact OE1-NH2 3.17Å; E35-R981 IonicContact OE2-NH2 2.73Å; Y956-R981 HydrophobicContact CD1-CB 3.82Å; Y956-R981 HydrophobicContact CD1-CG 4.08Å; Y956-R981 HydrophobicContact CE1-CB 3.6Å; Y956-R981 HydrophobicContact CE1-CG 3.59Å; R981-M992 WeakPolarHBondContact O-CA 3.49Å; R981-R993 PolarHBondContact N-O 3.46Å; R981-R993 PolarHBondContact O-N 2.87Å; R981-V995 HydrophobicContact CB-CG2 3.71Å |
| 982 | L | 91.7 | Very high | 83.3 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 126.5 | 168.4 | -52.6 | -169.2 | 0 | 0 | 0 | 108.9 | L903 I923 Y936 C955 V957 M992 | L903-L982 HydrophobicContact CD1-CD1 4.29Å; I923-L982 HydrophobicContact CD1-CD1 3.77Å; I923-L982 HydrophobicContact CD1-CD2 3.64Å; I923-L982 HydrophobicContact CD1-CG 4.37Å; Y936-L982 HydrophobicContact CD1-CB 4.09Å; Y936-L982 HydrophobicContact CD1-CD2 4.12Å; Y936-L982 HydrophobicContact CD2-CD1 4.17Å; Y936-L982 HydrophobicContact CE1-CB 3.69Å; Y936-L982 HydrophobicContact CE2-CB 4.45Å; Y936-L982 HydrophobicContact CE2-CD1 4.04Å; Y936-L982 HydrophobicContact CG-CD2 4.14Å; C955-L982 PolarHBondContact O-N 3.4Å; V957-L982 HydrophobicContact CG1-CD2 3.96Å; L982-M992 HydrophobicContact CD2-CE 4.15Å; L982-M992 HydrophobicContact CD2-CG 3.91Å; L982-M992 HydrophobicContact CD2-SD 4.19Å |
| 983 | Q | 86.9 | Confident | 85 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 45% | 0.453 | 27% | 0.271 | S | S | . | . | trans | -111.8 | -60.2 | -171.5 | -62.1 | -152.3 | -29.4 | 0 | 0 | 113.9 | S991 R993 | Q983-S991 PolarHBondContact N-O 3.39Å; Q983-R993 HydrophobicContact CG-CB 4.16Å | ||
| 984 | Q | 84.4 | Confident | 86.2 | Confident | 136 Ų | 136 | 53.6 Ų | 53.6 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | trans | -142.5 | 126.4 | -179.3 | -72.1 | -175.1 | -2.3 | 0 | 0 | 108.3 | H986 S991 | Q984-H986 PolarHBondContact O-CD2 2.96Å; Q984-H986 PolarHBondContact O-N 2.92Å; Q984-H986 VanDerWaalsContact O-N 3.15Å; Q984-S991 WeakPolarHBondContact O-CB 3.45Å | ||
| 985 | P | 86.8 | Confident | 86.8 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | trans | -72.8 | 106.4 | 176.5 | 29.2 | -32.2 | 0 | 0 | 0 | 109 | L935 Y936 | L935-P985 HydrophobicContact CB-CB 3.91Å; L935-P985 HydrophobicContact CD2-CB 4.08Å; L935-P985 HydrophobicContact CG-CB 4.4Å; L935-P985 CarbonylContact O-C 3.51Å; L935-P985 VanDerWaalsContact O-CA 3.28Å; L935-P985 WeakPolarHBondContact O-CA 3.47Å; Y936-P985 HydrophobicContact CE1-CB 4.39Å; Y936-P985 HydrophobicContact CE2-CB 4.22Å | ||
| 986 | H | 84.7 | Confident | 87.1 | Confident | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -152.4 | 13.3 | -179.1 | 76.9 | 70.5 | 0 | 0 | 0 | 113.3 | L935 Q984 G988 T990 S991 | L935-H986 PolarHBondContact O-N 3.26Å; Q984-H986 PolarHBondContact O-CD2 2.96Å; Q984-H986 PolarHBondContact O-N 2.92Å; Q984-H986 VanDerWaalsContact O-N 3.15Å; H986-G988 PolarHBondContact ND1-N 3.37Å; H986-G988 PolarHBondContact O-N 3.48Å; H986-T990 PolarHBondContact CE1-OG1 3.48Å; H986-T990 PolarHBondContact NE2-OG1 2.82Å; H986-S991 PolarHBondContact NE2-N 3.29Å |
| 987 | G | 78.9 | Confident | 87.2 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 67.2 | -1.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | M934 L935 T937 | M934-G987 WeakPolarHBondContact O-CA 3.49Å; L935-G987 PolarHBondContact O-N 3.43Å; T937-G987 WeakPolarHBondContact CG2-O 3.39Å; T937-G987 PolarHBondContact OG1-O 3.19Å |
| 988 | G | 81.3 | Confident | 87.1 | Confident | 23 Ų | 23 | 57 Ų | 57 | 24% | 0.237 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -109.2 | 167.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T937 H986 T990 S991 | T937-G988 VanDerWaalsContact OG1-C 3.23Å; T937-G988 WeakPolarHBondContact OG1-CA 3.46Å; H986-G988 PolarHBondContact ND1-N 3.37Å; H986-G988 PolarHBondContact O-N 3.48Å; G988-T990 PolarHBondContact O-N 2.84Å; G988-S991 WeakPolarHBondContact O-CB 3.37Å; G988-S991 PolarHBondContact O-N 2.86Å; G988-S991 PolarHBondContact O-OG 3.4Å |
| 989 | E | 82.1 | Confident | 86.9 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 43% | 0.425 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.3 | -170.7 | -64 | 178.2 | -151 | 0 | 0 | 115.7 | K938 R939 | K938-E989 PolarHBondContact NZ-O 3.1Å; R939-E989 WeakPolarHBondContact CD-OE1 3.47Å; R939-E989 HydrophobicContact CG-CG 4.35Å; R939-E989 WeakPolarHBondContact CG-OE1 3.25Å; R939-E989 IonicContact NE-OE1 3.63Å; R939-E989 PolarHBondContact NE-OE1 3.48Å |
| 990 | T | 82.9 | Confident | 86.4 | Confident | 105 Ų | 105 | 59.1 Ų | 59.1 | 64% | 0.644 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.3 | 172.1 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | H986 G988 M992 | H986-T990 PolarHBondContact CE1-OG1 3.48Å; H986-T990 PolarHBondContact NE2-OG1 2.82Å; G988-T990 PolarHBondContact O-N 2.84Å; T990-M992 PolarHBondContact O-N 3.28Å |
| 991 | S | 88.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -62.9 | -26.4 | 177.9 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | Y936 T937 Q983 Q984 H986 G988 | Y936-S991 WeakPolarHBondContact CA-OG 3.44Å; T937-S991 PolarHBondContact N-OG 3.06Å; T937-S991 VanDerWaalsContact N-OG 3.13Å; Q983-S991 PolarHBondContact N-O 3.39Å; Q984-S991 WeakPolarHBondContact O-CB 3.45Å; H986-S991 PolarHBondContact NE2-N 3.29Å; G988-S991 WeakPolarHBondContact O-CB 3.37Å; G988-S991 PolarHBondContact O-N 2.86Å; G988-S991 PolarHBondContact O-OG 3.4Å |
| 992 | M | 90.8 | Very high | 84.4 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129 | 174.7 | -59.4 | -164.9 | -169 | 0 | 0 | 112 | L921 I923 Y936 K938 V957 F980 R981 L982 T990 | L921-M992 HydrophobicContact CD2-CE 3.78Å; L921-M992 HydrophobicContact CD2-SD 3.92Å; L921-M992 HydrophobicContact CG-CE 4.02Å; I923-M992 HydrophobicContact CD1-CE 3.57Å; I923-M992 HydrophobicContact CG1-CE 3.7Å; Y936-M992 VanDerWaalsContact CB-CE 3.46Å; K938-M992 HydrophobicContact CB-CB 4.45Å; K938-M992 HydrophobicContact CB-SD 3.78Å; K938-M992 HydrophobicContact CD-CB 4.49Å; V957-M992 HydrophobicContact CG1-CE 4.42Å; V957-M992 HydrophobicContact CG1-SD 3.93Å; F980-M992 HydrophobicContact CB-CB 4.29Å; F980-M992 HydrophobicContact CB-SD 4.49Å; F980-M992 HydrophobicContact CD1-CB 4.47Å; R981-M992 WeakPolarHBondContact O-CA 3.49Å; L982-M992 HydrophobicContact CD2-CE 4.15Å; L982-M992 HydrophobicContact CD2-CG 3.91Å; L982-M992 HydrophobicContact CD2-SD 4.19Å; T990-M992 PolarHBondContact O-N 3.28Å |
| 993 | R | 89.4 | Confident | 83.2 | Confident | 168 Ų | 168 | 62.1 Ų | 62.1 | 63% | 0.634 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.4 | 172.9 | 175.4 | 173.5 | 172.2 | 171 | -0.2 | 111.2 | F980 R981 Q983 | F980-R993 CarbonylContact C-O 3.54Å; F980-R993 WeakPolarHBondContact CA-O 3.44Å; R981-R993 PolarHBondContact N-O 3.46Å; R981-R993 PolarHBondContact O-N 2.87Å; Q983-R993 HydrophobicContact CG-CB 4.16Å |
| 994 | M | 88.4 | Confident | 81.8 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 138.2 | 171.5 | -169.4 | -154 | -65.4 | 0 | 0 | 110.5 | F980 | F980-M994 HydrophobicContact CD1-CB 3.98Å; F980-M994 HydrophobicContact CE1-CB 3.86Å; F980-M994 HydrophobicContact CE1-CG 4.26Å |
| 995 | V | 87.9 | Confident | 80.6 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 33% | 0.327 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -52.5 | -178.6 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | R38 Y956 V979 R981 | R38-V995 HydrophobicContact CB-CG1 4.29Å; Y956-V995 HydrophobicContact CD1-CG2 4.08Å; Y956-V995 HydrophobicContact CE1-CG2 4Å; V979-V995 PolarHBondContact O-N 2.95Å; R981-V995 HydrophobicContact CB-CG2 3.71Å |
| 996 | F | 86.4 | Confident | 79.2 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 17% | 0.167 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 164 | 177.5 | 63.4 | -89.5 | 0 | 0 | 0 | 111.2 | W42 V979 V998 W1017 | W42-F996 HydrophobicContact CD2-CE2 4.42Å; W42-F996 HydrophobicContact CD2-CZ 4.47Å; W42-F996 AromaticContact CE2-CZ 3.76Å; W42-F996 HydrophobicContact CH2-CZ 4.29Å; W42-F996 HydrophobicContact CZ2-CE1 4.31Å; W42-F996 HydrophobicContact CZ2-CE2 4.39Å; W42-F996 AromaticContact CZ2-CZ 3.66Å; W42-F996 HydrophobicContact CZ2-CZ 3.66Å; W42-F996 AromaticContact NE1-CZ 3.99Å; V979-F996 HydrophobicContact CB-CD1 4.16Å; V979-F996 HydrophobicContact CB-CD2 4.38Å; V979-F996 HydrophobicContact CB-CE1 3.87Å; V979-F996 HydrophobicContact CB-CE2 4.11Å; V979-F996 HydrophobicContact CB-CG 4.4Å; V979-F996 HydrophobicContact CB-CZ 3.85Å; V979-F996 HydrophobicContact CG1-CD1 4.33Å; V979-F996 HydrophobicContact CG1-CE1 3.76Å; V979-F996 HydrophobicContact CG1-CZ 3.99Å; V979-F996 HydrophobicContact CG2-CD2 4.31Å; V979-F996 HydrophobicContact CG2-CE1 4.2Å; V979-F996 HydrophobicContact CG2-CE2 3.7Å; V979-F996 HydrophobicContact CG2-CZ 3.64Å; V979-F996 PolarHBondContact N-O 2.99Å; F996-V998 HydrophobicContact CE2-CG2 4.16Å; F996-W1017 HydrophobicContact CZ-CH2 4.5Å |
| 997 | N | 86.2 | Confident | 77.7 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 143.3 | 173.2 | -61.8 | -31.1 | 0 | 0 | 0 | 109.4 | M975 | M975-N997 HydrophobicContact CG-CB 4.09Å; M975-N997 HydrophobicContact SD-CB 3.97Å |
| 998 | V | 86.1 | Confident | 76.8 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.7 | 166.8 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | V976 A977 V979 F996 L1025 Y1027 | V976-V998 HydrophobicContact CG2-CG1 4.22Å; V976-V998 WeakPolarHBondContact CG2-O 3.33Å; V976-V998 PolarHBondContact N-O 3.1Å; A977-V998 HydrophobicContact CB-CB 3.91Å; A977-V998 HydrophobicContact CB-CG2 4.03Å; A977-V998 PolarHBondContact N-O 3.41Å; A977-V998 PolarHBondContact O-N 2.97Å; V979-V998 HydrophobicContact CG2-CG2 4.4Å; F996-V998 HydrophobicContact CE2-CG2 4.16Å; V998-L1025 HydrophobicContact CG1-CD1 4.33Å; V998-L1025 HydrophobicContact CG2-CD1 4.36Å; V998-L1025 HydrophobicContact CG2-CD2 3.97Å; V998-Y1027 HydrophobicContact CG1-CD1 4.41Å; V998-Y1027 HydrophobicContact CG1-CE1 3.84Å |
| 999 | V | 84.4 | Confident | 76.2 | Confident | 47 Ų | 47 | 76.4 Ų | 76.4 | 29% | 0.285 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.7 | -176.1 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | D973 H974 | D973-V999 HydrophobicContact CB-CG1 3.6Å; H974-V999 WeakPolarHBondContact O-CA 3.26Å |
| 1000 | Y | 83.1 | Confident | 75.9 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 9% | 0.086 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.1 | 164.5 | -168 | -64.1 | 0 | 0 | 0 | 108.5 | H974 M1002 V1010 Y1027 T1029 D1033 V1035 | H974-Y1000 PolarHBondContact N-O 3.05Å; H974-Y1000 PolarHBondContact O-N 3.02Å; Y1000-M1002 HydrophobicContact CD1-CE 3.65Å; Y1000-M1002 HydrophobicContact CD1-CG 4.45Å; Y1000-M1002 HydrophobicContact CE1-CE 3.28Å; Y1000-M1002 PolarHBondContact O-N 2.89Å; Y1000-V1010 HydrophobicContact CD1-CG2 4.4Å; Y1000-V1010 HydrophobicContact CD2-CG1 3.8Å; Y1000-V1010 HydrophobicContact CE2-CG1 4.23Å; Y1000-V1010 HydrophobicContact CG-CG1 4.13Å; Y1000-V1010 HydrophobicContact CG-CG2 4.49Å; Y1000-Y1027 AromaticContact CD2-CE2 3.82Å; Y1000-Y1027 HydrophobicContact CD2-CE2 3.82Å; Y1000-Y1027 WeakPolarHBondContact CD2-OH 3.26Å; Y1000-Y1027 HydrophobicContact CE2-CE2 4.29Å; Y1000-T1029 HydrophobicContact CD2-CG2 4.06Å; Y1000-T1029 HydrophobicContact CE2-CG2 3.86Å; Y1000-D1033 HydrophobicContact CE2-CB 4.08Å; Y1000-D1033 PolarHBondContact OH-OD1 3.32Å; Y1000-D1033 PolarHBondContact OH-OD2 3.18Å; Y1000-V1035 HydrophobicContact CE2-CG2 4.22Å |
| 1001 | P | 73.1 | Confident | 75.8 | Confident | 83 Ų | 83 | 67.5 Ų | 67.5 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 111.9 | 176.1 | 30.2 | -33.1 | 0 | 0 | 0 | 111.1 | ||
| 1002 | M | 69.1 | Low | 75.7 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | trans | -93.6 | 136.3 | 169.3 | -73.6 | -80.9 | 75.9 | 0 | 0 | 111.1 | T972 H974 Y1000 Q1006 V1010 K1031 | T972-M1002 WeakPolarHBondContact O-CB 3.47Å; T972-M1002 PolarHBondContact O-N 2.9Å; H974-M1002 WeakPolarHBondContact CD2-CG 3.26Å; Y1000-M1002 HydrophobicContact CD1-CE 3.65Å; Y1000-M1002 HydrophobicContact CD1-CG 4.45Å; Y1000-M1002 HydrophobicContact CE1-CE 3.28Å; Y1000-M1002 PolarHBondContact O-N 2.89Å; M1002-Q1006 HydrophobicContact SD-CB 3.96Å; M1002-V1010 HydrophobicContact CE-CG2 4.06Å; M1002-V1010 HydrophobicContact CG-CG2 4.49Å; M1002-V1010 HydrophobicContact SD-CG2 3.7Å; M1002-K1031 PolarHBondContact SD-NZ 3.47Å | ||
| 1003 | A | 65.3 | Low | 75.5 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | trans | -61.7 | 140 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | D1005 Q1006 | A1003-D1005 PolarHBondContact O-N 3.33Å; A1003-Q1006 HydrophobicContact CB-CG 4.43Å; A1003-Q1006 PolarHBondContact O-N 2.85Å | ||
| 1004 | P | 58.8 | Low | 75.5 | Confident | 104 Ų | 104 | 59.4 Ų | 59.4 | 68% | 0.675 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.8 | -169.6 | 22.5 | -34.2 | 0 | 0 | 0 | 114.1 | ||
| 1005 | D | 57.5 | Low | 75.8 | Confident | 142 Ų | 142 | 55 Ų | 55 | 76% | 0.759 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -17.6 | 179 | -51.7 | -63.7 | 0 | 0 | 0 | 113.6 | A1003 R1007 | A1003-D1005 PolarHBondContact O-N 3.33Å; D1005-R1007 PolarHBondContact O-N 2.87Å |
| 1006 | Q | 58.8 | Low | 76.1 | Confident | 94 Ų | 94 | 53.5 Ų | 53.5 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | trans | -81.2 | 78.8 | -176.1 | -74.2 | -158.2 | 30 | 0 | 0 | 113.4 | M1002 A1003 R1008 | M1002-Q1006 HydrophobicContact SD-CB 3.96Å; A1003-Q1006 HydrophobicContact CB-CG 4.43Å; A1003-Q1006 PolarHBondContact O-N 2.85Å; Q1006-R1008 PolarHBondContact O-N 3.36Å | ||
| 1007 | R | 53.7 | Low | 76.4 | Confident | 236 Ų | 236 | 52.9 Ų | 52.9 | 89% | 0.891 | 27% | 0.266 | S | S | * | . | trans | -67.5 | 22.4 | 171.1 | -55.9 | -175.1 | -176.5 | -173.8 | 1.3 | 115.2 | D1005 | D1005-R1007 PolarHBondContact O-N 2.87Š| ||
| 1008 | R | 58.6 | Low | 76.6 | Confident | 113 Ų | 113 | 49.4 Ų | 49.4 | 43% | 0.426 | 25% | 0.248 | S | C | . | . | trans | -101.6 | 114.9 | 179.9 | -72.4 | -165 | -174.8 | -125.7 | 3.9 | 111.2 | E846 Q1006 K1031 | E846-R1008 IonicContact OE1-NH2 2.66Å; E846-R1008 IonicContact OE2-CZ 3.75Å; E846-R1008 IonicContact OE2-NH1 3.79Å; E846-R1008 PolarHBondContact OE2-NH1 3.45Å; E846-R1008 IonicContact OE2-NH2 3.04Å; E846-R1008 PolarHBondContact OE2-NH2 3.28Å; Q1006-R1008 PolarHBondContact O-N 3.36Å; R1008-K1031 VanDerWaalsContact O-CE 3.22Å; R1008-K1031 WeakPolarHBondContact O-CE 3.46Å; R1008-K1031 PolarHBondContact O-NZ 3.5Å | ||
| 1009 | H | 69.7 | Low | 76.6 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 28% | 0.282 | 26% | 0.262 | S | S | . | . | trans | -52.1 | 131.1 | 177.5 | -66.5 | -84.8 | 0 | 0 | 0 | 113.5 | S963 R964 R965 N1030 | S963-H1009 PolarHBondContact OG-ND1 2.89Å; R964-H1009 PolarHBondContact O-CE1 3.31Å; R964-H1009 VanDerWaalsContact O-CE1 3.24Å; R964-H1009 PolarHBondContact O-ND1 3.05Å; R965-H1009 VanDerWaalsContact C-CE1 3.48Å; R965-H1009 VanDerWaalsContact CA-CE1 3.45Å; R965-H1009 WeakPolarHBondContact CA-CE1 3.37Å; R965-H1009 PolarHBondContact O-NE2 3.16Å; H1009-N1030 PolarHBondContact O-ND2 3.39Å | ||
| 1010 | V | 75.7 | Confident | 76.7 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | trans | -104.3 | 130.1 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | S963 V976 Y1000 M1002 T1029 N1030 K1031 | S963-V1010 WeakPolarHBondContact CB-O 3.38Å; V976-V1010 HydrophobicContact CG1-CG1 4.27Å; Y1000-V1010 HydrophobicContact CD1-CG2 4.4Å; Y1000-V1010 HydrophobicContact CD2-CG1 3.8Å; Y1000-V1010 HydrophobicContact CE2-CG1 4.23Å; Y1000-V1010 HydrophobicContact CG-CG1 4.13Å; Y1000-V1010 HydrophobicContact CG-CG2 4.49Å; M1002-V1010 HydrophobicContact CE-CG2 4.06Å; M1002-V1010 HydrophobicContact CG-CG2 4.49Å; M1002-V1010 HydrophobicContact SD-CG2 3.7Å; V1010-T1029 HydrophobicContact CG1-CG2 3.82Å; V1010-N1030 WeakPolarHBondContact CA-OD1 3.31Å; V1010-K1031 HydrophobicContact CG2-CD 3.93Å | ||
| 1011 | S | 79.9 | Confident | 76.7 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | trans | -128.2 | 139.1 | 175.1 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | A962 S963 T1029 N1030 | A962-S1011 WeakPolarHBondContact CA-OG 3.27Å; S963-S1011 PolarHBondContact N-OG 3.5Å; S1011-T1029 WeakPolarHBondContact O-CA 3.48Å; S1011-N1030 PolarHBondContact N-OD1 3.41Å; S1011-N1030 PolarHBondContact O-N 2.92Å; S1011-N1030 PolarHBondContact O-OD1 3.38Å | ||
| 1012 | I | 86.2 | Confident | 77 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 132 | 169.3 | -67.7 | -172.9 | 0 | 0 | 0 | 109 | S947 L961 V976 A977 S1014 A1015 Y1027 | S947-I1012 WeakPolarHBondContact OG-CG2 3.42Å; L961-I1012 PolarHBondContact O-N 2.95Å; L961-I1012 VanDerWaalsContact O-N 3.17Å; V976-I1012 HydrophobicContact CB-CD1 3.85Å; V976-I1012 HydrophobicContact CB-CG1 3.96Å; V976-I1012 HydrophobicContact CG2-CD1 4.12Å; V976-I1012 WeakPolarHBondContact O-CD1 3.42Å; A977-I1012 HydrophobicContact CB-CD1 4.08Å; I1012-S1014 VanDerWaalsContact CG2-C 3.44Å; I1012-A1015 HydrophobicContact CD1-CB 4.05Å; I1012-A1015 HydrophobicContact CG2-CB 3.73Å; I1012-Y1027 HydrophobicContact CD1-CD1 4.4Å; I1012-Y1027 HydrophobicContact CD1-CD2 4.27Å; I1012-Y1027 HydrophobicContact CD1-CG 3.97Å; I1012-Y1027 HydrophobicContact CG1-CD2 4.28Å; I1012-Y1027 HydrophobicContact CG1-CG 4.44Å |
| 1013 | N | 86.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -37.2 | 167 | -64.8 | -39 | 0 | 0 | 0 | 111 | S55 T56 V851 N891 G1028 N1030 | S55-N1013 PolarHBondContact OG-ND2 3.38Å; T56-N1013 VanDerWaalsContact O-CB 3.31Å; T56-N1013 WeakPolarHBondContact O-CB 3.36Å; T56-N1013 PolarHBondContact O-ND2 2.93Å; V851-N1013 HydrophobicContact CB-CB 4.4Å; V851-N1013 HydrophobicContact CG2-CB 3.83Å; V851-N1013 WeakPolarHBondContact CG2-OD1 3.43Å; V851-N1013 PolarHBondContact N-OD1 2.96Å; N891-N1013 PolarHBondContact ND2-O 3Å; N1013-G1028 PolarHBondContact N-O 3.19Å; N1013-N1030 PolarHBondContact ND2-N 2.87Å |
| 1014 | S | 91.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 133.2 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | F57 L59 I1012 Y1027 G1028 | F57-S1014 VanDerWaalsContact O-CB 3.24Å; F57-S1014 WeakPolarHBondContact O-CB 3.15Å; L59-S1014 PolarHBondContact N-OG 3.13Å; I1012-S1014 VanDerWaalsContact CG2-C 3.44Å; S1014-Y1027 CarbonylContact O-C 3.54Å; S1014-Y1027 WeakPolarHBondContact O-CA 3.38Å; S1014-G1028 PolarHBondContact O-N 2.87Å |
| 1015 | A | 93.3 | Very high | 80.5 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 135.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S947 M958 I1012 A1026 | S947-A1015 PolarHBondContact OG-N 3.3Å; M958-A1015 HydrophobicContact CE-CB 3.7Å; M958-A1015 HydrophobicContact SD-CB 4.3Å; I1012-A1015 HydrophobicContact CD1-CB 4.05Å; I1012-A1015 HydrophobicContact CG2-CB 3.73Å; A1015-A1026 WeakPolarHBondContact CA-O 3.25Å |
| 1016 | R | 93.8 | Very high | 82.2 | Confident | 24 Ų | 24 | 36.8 Ų | 36.8 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 154.7 | 179.2 | -74.2 | -176.8 | 170.1 | 162.9 | -11 | 111.5 | L59 F61 D892 A1026 | L59-R1016 PolarHBondContact O-NH1 3.13Å; F61-R1016 HydrophobicContact CE2-CB 3.74Å; F61-R1016 HydrophobicContact CZ-CB 4.42Å; D892-R1016 PolarHBondContact O-NH2 2.86Å; R1016-A1026 PolarHBondContact N-O 3.45Å; R1016-A1026 PolarHBondContact O-N 2.86Å |
| 1017 | W | 92.9 | Very high | 83.9 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 149.6 | 167.1 | -73.3 | 92.5 | 0 | 0 | 0 | 110.5 | W42 F61 S949 M958 V979 F996 L1025 | W42-W1017 HydrophobicContact CH2-CH2 4.36Å; W42-W1017 AromaticContact CH2-CZ3 3.9Å; W42-W1017 HydrophobicContact CH2-CZ3 3.9Å; F61-W1017 WeakPolarHBondContact CE2-O 3.36Å; S949-W1017 PolarHBondContact O-NE1 2.84Å; S949-W1017 PolarHBondContact OG-N 2.91Å; M958-W1017 HydrophobicContact CB-CZ2 4.47Å; V979-W1017 HydrophobicContact CG1-CH2 4.24Å; V979-W1017 HydrophobicContact CG1-CZ2 3.83Å; V979-W1017 HydrophobicContact CG2-CZ2 4.15Å; F996-W1017 HydrophobicContact CZ-CH2 4.5Å; W1017-L1025 HydrophobicContact CE3-CB 4.43Å |
| 1018 | L | 91.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | trans | -74.1 | 144.9 | 168.5 | -62 | 178.5 | 0 | 0 | 0 | 109.2 | F61 V83 P952 D1020 M1023 G1024 A1026 I1036 | F61-L1018 HydrophobicContact CD1-CD2 4.18Å; F61-L1018 HydrophobicContact CE1-CD2 3.34Å; F61-L1018 HydrophobicContact CE2-CD2 4.39Å; F61-L1018 HydrophobicContact CZ-CD2 3.49Å; F61-L1018 VanDerWaalsContact CZ-CD2 3.49Å; V83-L1018 HydrophobicContact CG1-CD1 3.44Å; V83-L1018 VanDerWaalsContact CG1-CD1 3.44Å; V83-L1018 HydrophobicContact CG1-CD2 3.61Å; V83-L1018 HydrophobicContact CG1-CG 4.1Å; V83-L1018 HydrophobicContact CG2-CD2 4.29Å; P952-L1018 VanDerWaalsContact CG-O 3.27Å; P952-L1018 WeakPolarHBondContact CG-O 3.42Å; L1018-D1020 VanDerWaalsContact C-N 3.34Å; L1018-D1020 PolarHBondContact O-N 3.08Å; L1018-M1023 HydrophobicContact CB-CB 3.7Å; L1018-M1023 HydrophobicContact CD1-CB 3.8Å; L1018-M1023 WeakPolarHBondContact CD1-O 3.38Å; L1018-M1023 HydrophobicContact CG-CB 4.4Å; L1018-G1024 WeakPolarHBondContact CB-O 3.46Å; L1018-G1024 PolarHBondContact N-O 3.49Å; L1018-A1026 HydrophobicContact CD2-CB 4.02Å; L1018-I1036 HydrophobicContact CD1-CG2 4.04Å | ||
| 1019 | P | 86.4 | Confident | 87.1 | Confident | 56 Ų | 56 | 15.7 Ų | 15.7 | 36% | 0.364 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -67.2 | -29.6 | -164.7 | 23.6 | -34.2 | 0 | 0 | 0 | 114.3 | F61 P952 | F61-P1019 HydrophobicContact CB-CG 4.23Å; F61-P1019 HydrophobicContact CG-CG 4.5Å; P952-P1019 VanDerWaalsContact CB-O 3.32Å; P952-P1019 WeakPolarHBondContact CB-O 3.26Å; P952-P1019 VanDerWaalsContact CG-O 3.23Å; P952-P1019 WeakPolarHBondContact CG-O 3.33Å |
| 1020 | D | 85.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 13.5 Ų | 13.5 | 28% | 0.278 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -93.7 | 133.8 | 175.6 | -93.9 | -51.1 | 0 | 0 | 0 | 112 | L1018 A1022 M1023 | L1018-D1020 VanDerWaalsContact C-N 3.34Å; L1018-D1020 PolarHBondContact O-N 3.08Å; D1020-A1022 PolarHBondContact O-N 2.73Å; D1020-M1023 HydrophobicContact CB-CG 3.89Å; D1020-M1023 HydrophobicContact CB-SD 3.81Å; D1020-M1023 WeakPolarHBondContact O-CB 3.17Å; D1020-M1023 PolarHBondContact O-N 3.31Å; D1020-M1023 VanDerWaalsContact O-N 3.11Å |
| 1021 | P | 83.6 | Confident | 88.1 | Confident | 21 Ų | 21 | 14.9 Ų | 14.9 | 14% | 0.136 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 140.4 | 170.1 | -27.3 | 34.2 | 0 | 0 | 0 | 112.6 | Q30 V33 P952 M953 M1023 | Q30-P1021 HydrophobicContact CB-CG 4.08Å; Q30-P1021 HydrophobicContact CG-CG 4.18Å; V33-P1021 HydrophobicContact CG1-CB 4.33Å; P952-P1021 HydrophobicContact CB-CG 4.05Å; M953-P1021 HydrophobicContact CE-CG 4.3Å; M953-P1021 HydrophobicContact CG-CG 4.09Å; P1021-M1023 VanDerWaalsContact C-N 3.29Å; P1021-M1023 PolarHBondContact O-N 3.21Å |
| 1022 | A | 79.8 | Confident | 88.4 | Confident | 41 Ų | 41 | 14.8 Ų | 14.8 | 34% | 0.339 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -7.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | V33 V37 D1020 P1039 | V33-A1022 HydrophobicContact CG1-CB 3.52Å; V37-A1022 HydrophobicContact CG2-CB 3.4Å; V37-A1022 VanDerWaalsContact CG2-CB 3.4Å; D1020-A1022 PolarHBondContact O-N 2.73Å; A1022-P1039 WeakPolarHBondContact O-CD 3.42Å; A1022-P1039 WeakPolarHBondContact O-CG 3.49Å |
| 1023 | M | 84.3 | Confident | 88.6 | Confident | 35 Ų | 35 | 15.3 Ų | 15.3 | 17% | 0.172 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -38.5 | 173.5 | -71.8 | -164.6 | 63.4 | 0 | 0 | 112.1 | S67 V83 K84 L1018 D1020 P1021 | S67-M1023 WeakPolarHBondContact OG-CE 3.41Å; V83-M1023 HydrophobicContact CB-CE 4.11Å; V83-M1023 HydrophobicContact CG1-CE 3.6Å; K84-M1023 HydrophobicContact CG-CE 4.17Å; L1018-M1023 HydrophobicContact CB-CB 3.7Å; L1018-M1023 HydrophobicContact CD1-CB 3.8Å; L1018-M1023 WeakPolarHBondContact CD1-O 3.38Å; L1018-M1023 HydrophobicContact CG-CB 4.4Å; D1020-M1023 HydrophobicContact CB-CG 3.89Å; D1020-M1023 HydrophobicContact CB-SD 3.81Å; D1020-M1023 WeakPolarHBondContact O-CB 3.17Å; D1020-M1023 PolarHBondContact O-N 3.31Å; D1020-M1023 VanDerWaalsContact O-N 3.11Å; P1021-M1023 VanDerWaalsContact C-N 3.29Å; P1021-M1023 PolarHBondContact O-N 3.21Å |
| 1024 | G | 88.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 15.4 Ų | 15.4 | 4% | 0.041 | 9% | 0.089 | C | C | . | . | trans | 121.4 | -139.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1018 C1037 | L1018-G1024 WeakPolarHBondContact CB-O 3.46Å; L1018-G1024 PolarHBondContact N-O 3.49Å; G1024-C1037 WeakPolarHBondContact CA-O 3.39Å | ||
| 1025 | L | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 157.4 | 179.9 | 62.6 | 90.5 | 0 | 0 | 0 | 110.7 | W42 M958 V998 W1017 Y1027 C1037 | W42-L1025 HydrophobicContact CE3-CD2 4.38Å; W42-L1025 HydrophobicContact CH2-CD2 4.2Å; W42-L1025 HydrophobicContact CZ3-CD2 3.79Å; W42-L1025 HydrophobicContact CZ3-CG 3.95Å; M958-L1025 HydrophobicContact CE-CB 4.28Å; M958-L1025 HydrophobicContact SD-CB 4.28Å; M958-L1025 HydrophobicContact SD-CD1 4.02Å; M958-L1025 HydrophobicContact SD-CD2 3.88Å; M958-L1025 HydrophobicContact SD-CG 4.28Å; V998-L1025 HydrophobicContact CG1-CD1 4.33Å; V998-L1025 HydrophobicContact CG2-CD1 4.36Å; V998-L1025 HydrophobicContact CG2-CD2 3.97Å; W1017-L1025 HydrophobicContact CE3-CB 4.43Å; L1025-Y1027 HydrophobicContact CD1-CD1 4.16Å; L1025-C1037 HydrophobicContact CD1-CB 3.76Å; L1025-C1037 HydrophobicContact CG-CB 3.98Å; L1025-C1037 PolarHBondContact N-O 3.07Å; L1025-C1037 PolarHBondContact O-N 3.26Å |
| 1026 | A | 94.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | L59 F61 M69 A1015 R1016 L1018 V1035 I1036 | L59-A1026 HydrophobicContact CD1-CB 4.22Å; F61-A1026 HydrophobicContact CZ-CB 4.28Å; M69-A1026 HydrophobicContact SD-CB 3.87Å; A1015-A1026 WeakPolarHBondContact CA-O 3.25Å; R1016-A1026 PolarHBondContact N-O 3.45Å; R1016-A1026 PolarHBondContact O-N 2.86Å; L1018-A1026 HydrophobicContact CD2-CB 4.02Å; A1026-V1035 CarbonylContact C-O 3.59Å; A1026-V1035 VanDerWaalsContact CA-O 3.24Å; A1026-V1035 WeakPolarHBondContact CA-O 3.46Å; A1026-I1036 HydrophobicContact CB-CG1 4.2Å |
| 1027 | Y | 93.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 14.6 Ų | 14.6 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151.3 | 178.3 | 65 | -103.8 | 0 | 0 | 0 | 114.1 | V976 V998 Y1000 I1012 S1014 L1025 T1029 V1035 | V976-Y1027 HydrophobicContact CG2-CE1 4.36Å; V998-Y1027 HydrophobicContact CG1-CD1 4.41Å; V998-Y1027 HydrophobicContact CG1-CE1 3.84Å; Y1000-Y1027 AromaticContact CD2-CE2 3.82Å; Y1000-Y1027 HydrophobicContact CD2-CE2 3.82Å; Y1000-Y1027 WeakPolarHBondContact CD2-OH 3.26Å; Y1000-Y1027 HydrophobicContact CE2-CE2 4.29Å; I1012-Y1027 HydrophobicContact CD1-CD1 4.4Å; I1012-Y1027 HydrophobicContact CD1-CD2 4.27Å; I1012-Y1027 HydrophobicContact CD1-CG 3.97Å; I1012-Y1027 HydrophobicContact CG1-CD2 4.28Å; I1012-Y1027 HydrophobicContact CG1-CG 4.44Å; S1014-Y1027 CarbonylContact O-C 3.54Å; S1014-Y1027 WeakPolarHBondContact O-CA 3.38Å; L1025-Y1027 HydrophobicContact CD1-CD1 4.16Å; Y1027-T1029 HydrophobicContact CD2-CG2 3.86Å; Y1027-T1029 HydrophobicContact CE2-CG2 3.8Å; Y1027-V1035 HydrophobicContact CD1-CB 4.48Å; Y1027-V1035 HydrophobicContact CD2-CB 4.11Å; Y1027-V1035 HydrophobicContact CD2-CG2 4.38Å; Y1027-V1035 HydrophobicContact CE1-CB 4.08Å; Y1027-V1035 HydrophobicContact CE1-CG1 4.07Å; Y1027-V1035 HydrophobicContact CE2-CB 3.63Å; Y1027-V1035 HydrophobicContact CE2-CG1 4.29Å; Y1027-V1035 HydrophobicContact CE2-CG2 3.67Å; Y1027-V1035 PolarHBondContact N-O 3.04Å; Y1027-V1035 PolarHBondContact O-N 2.95Å |
| 1028 | G | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | N1013 S1014 D1033 | N1013-G1028 PolarHBondContact N-O 3.19Å; S1014-G1028 PolarHBondContact O-N 2.87Å; G1028-D1033 WeakPolarHBondContact CA-O 3.27Å |
| 1029 | T | 88.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 161 | -173.7 | 75.6 | 0 | 0 | 0 | 0 | 114.1 | S55 T56 Y1000 V1010 S1011 Y1027 K1031 G1032 D1033 | S55-T1029 WeakPolarHBondContact CA-O 3.47Å; T56-T1029 PolarHBondContact N-O 2.8Å; Y1000-T1029 HydrophobicContact CD2-CG2 4.06Å; Y1000-T1029 HydrophobicContact CE2-CG2 3.86Å; V1010-T1029 HydrophobicContact CG1-CG2 3.82Å; S1011-T1029 WeakPolarHBondContact O-CA 3.48Å; Y1027-T1029 HydrophobicContact CD2-CG2 3.86Å; Y1027-T1029 HydrophobicContact CE2-CG2 3.8Å; T1029-K1031 PolarHBondContact O-N 2.92Å; T1029-K1031 VanDerWaalsContact O-N 3.12Å; T1029-K1031 PolarHBondContact OG1-N 3.39Å; T1029-K1031 VanDerWaalsContact OG1-N 3.16Å; T1029-G1032 PolarHBondContact O-N 3.48Å; T1029-G1032 PolarHBondContact OG1-N 3.06Å; T1029-D1033 HydrophobicContact CG2-CB 4.1Å; T1029-D1033 PolarHBondContact N-O 2.98Å; T1029-D1033 WeakPolarHBondContact OG1-CB 3.14Å; T1029-D1033 PolarHBondContact OG1-N 3.43Å; T1029-D1033 VanDerWaalsContact OG1-N 3.11Å; T1029-D1033 PolarHBondContact OG1-OD2 2.92Å |
| 1030 | N | 83.4 | Confident | 88.1 | Confident | 14 Ų | 14 | 16.7 Ų | 16.7 | 8% | 0.075 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 0.7 | 167 | 75.2 | -42.8 | 0 | 0 | 0 | 115.2 | A850 H1009 V1010 S1011 N1013 | A850-N1030 HydrophobicContact CB-CB 3.72Å; H1009-N1030 PolarHBondContact O-ND2 3.39Å; V1010-N1030 WeakPolarHBondContact CA-OD1 3.31Å; S1011-N1030 PolarHBondContact N-OD1 3.41Å; S1011-N1030 PolarHBondContact O-N 2.92Å; S1011-N1030 PolarHBondContact O-OD1 3.38Å; N1013-N1030 PolarHBondContact ND2-N 2.87Å |
| 1031 | K | 83.6 | Confident | 87.2 | Confident | 31 Ų | 31 | 22.1 Ų | 22.1 | 14% | 0.135 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -6.2 | 170.7 | -75.2 | -172.8 | -178.9 | 175.9 | 0 | 112.8 | R54 M1002 R1008 V1010 T1029 D1033 | R54-K1031 CarbonylContact O-C 3.57Å; R54-K1031 WeakPolarHBondContact O-CA 3.5Å; M1002-K1031 PolarHBondContact SD-NZ 3.47Å; R1008-K1031 VanDerWaalsContact O-CE 3.22Å; R1008-K1031 WeakPolarHBondContact O-CE 3.46Å; R1008-K1031 PolarHBondContact O-NZ 3.5Å; V1010-K1031 HydrophobicContact CG2-CD 3.93Å; T1029-K1031 PolarHBondContact O-N 2.92Å; T1029-K1031 VanDerWaalsContact O-N 3.12Å; T1029-K1031 PolarHBondContact OG1-N 3.39Å; T1029-K1031 VanDerWaalsContact OG1-N 3.16Å; K1031-D1033 VanDerWaalsContact CB-OD2 3.24Å; K1031-D1033 WeakPolarHBondContact CB-OD2 3.33Å |
| 1032 | G | 85.2 | Confident | 85.5 | Confident | 5 Ų | 5 | 30 Ų | 30 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 86.6 | 8.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | P53 R54 T56 T1029 | P53-G1032 WeakPolarHBondContact O-CA 3.35Å; R54-G1032 PolarHBondContact O-N 2.94Å; T56-G1032 PolarHBondContact OG1-O 3.03Å; T1029-G1032 PolarHBondContact O-N 3.48Å; T1029-G1032 PolarHBondContact OG1-N 3.06Å |
| 1033 | D | 89.4 | Confident | 83.7 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.064 | 17% | 0.166 | C | C | . | . | trans | -71.5 | 138.1 | 170.6 | -45.5 | -72.2 | 0 | 0 | 0 | 109.3 | K46 T56 Y1000 G1028 T1029 K1031 V1035 | K46-D1033 WeakPolarHBondContact CE-OD1 3.19Å; K46-D1033 IonicContact NZ-OD1 3.47Å; K46-D1033 PolarHBondContact NZ-OD1 2.93Å; T56-D1033 PolarHBondContact OG1-O 2.57Å; Y1000-D1033 HydrophobicContact CE2-CB 4.08Å; Y1000-D1033 PolarHBondContact OH-OD1 3.32Å; Y1000-D1033 PolarHBondContact OH-OD2 3.18Å; G1028-D1033 WeakPolarHBondContact CA-O 3.27Å; T1029-D1033 HydrophobicContact CG2-CB 4.1Å; T1029-D1033 PolarHBondContact N-O 2.98Å; T1029-D1033 WeakPolarHBondContact OG1-CB 3.14Å; T1029-D1033 PolarHBondContact OG1-N 3.43Å; T1029-D1033 VanDerWaalsContact OG1-N 3.11Å; T1029-D1033 PolarHBondContact OG1-OD2 2.92Å; K1031-D1033 VanDerWaalsContact CB-OD2 3.24Å; K1031-D1033 WeakPolarHBondContact CB-OD2 3.33Å; D1033-V1035 HydrophobicContact CB-CG2 4.11Å | ||
| 1034 | L | 93 | Very high | 81.4 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123 | 163.3 | 176.8 | 56.4 | 0 | 0 | 0 | 106.4 | V47 L49 L59 M69 | V47-L1034 HydrophobicContact CB-CB 4.1Å; V47-L1034 HydrophobicContact CB-CD2 4.13Å; V47-L1034 HydrophobicContact CB-CG 3.95Å; V47-L1034 HydrophobicContact CG1-CD2 3.99Å; V47-L1034 HydrophobicContact CG1-CG 4.38Å; V47-L1034 HydrophobicContact CG2-CD2 4.26Å; V47-L1034 HydrophobicContact CG2-CG 3.95Å; V47-L1034 PolarHBondContact N-O 3.35Å; L49-L1034 HydrophobicContact CD1-CB 4.24Å; L49-L1034 HydrophobicContact CD2-CD2 4.19Å; L59-L1034 HydrophobicContact CD1-CD1 4.06Å; L59-L1034 HydrophobicContact CD2-CD1 3.52Å; L59-L1034 HydrophobicContact CG-CD1 4.47Å; M69-L1034 HydrophobicContact CE-CD1 3.92Å; M69-L1034 HydrophobicContact CE-CD2 3.87Å; M69-L1034 HydrophobicContact CE-CG 4.06Å; M69-L1034 HydrophobicContact SD-CD1 4.09Å |
| 1035 | V | 92.6 | Very high | 78.8 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.4 | -172.8 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | Q45 Y1000 A1026 Y1027 D1033 | Q45-V1035 WeakPolarHBondContact O-CA 3.35Å; Y1000-V1035 HydrophobicContact CE2-CG2 4.22Å; A1026-V1035 CarbonylContact C-O 3.59Å; A1026-V1035 VanDerWaalsContact CA-O 3.24Å; A1026-V1035 WeakPolarHBondContact CA-O 3.46Å; Y1027-V1035 HydrophobicContact CD1-CB 4.48Å; Y1027-V1035 HydrophobicContact CD2-CB 4.11Å; Y1027-V1035 HydrophobicContact CD2-CG2 4.38Å; Y1027-V1035 HydrophobicContact CE1-CB 4.08Å; Y1027-V1035 HydrophobicContact CE1-CG1 4.07Å; Y1027-V1035 HydrophobicContact CE2-CB 3.63Å; Y1027-V1035 HydrophobicContact CE2-CG1 4.29Å; Y1027-V1035 HydrophobicContact CE2-CG2 3.67Å; Y1027-V1035 PolarHBondContact N-O 3.04Å; Y1027-V1035 PolarHBondContact O-N 2.95Å; D1033-V1035 HydrophobicContact CB-CG2 4.11Å |
| 1036 | I | 92.4 | Very high | 76.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.1 | 173.6 | -57.5 | 173.1 | 0 | 0 | 0 | 107.6 | Q45 V47 M69 V83 L1018 A1026 R1038 | Q45-I1036 PolarHBondContact N-O 3.24Å; Q45-I1036 PolarHBondContact O-N 3.41Å; V47-I1036 HydrophobicContact CG2-CD1 3.58Å; V47-I1036 HydrophobicContact CG2-CG1 3.79Å; M69-I1036 HydrophobicContact CE-CD1 3.88Å; M69-I1036 HydrophobicContact CE-CG1 4.01Å; V83-I1036 HydrophobicContact CG1-CD1 4.45Å; V83-I1036 HydrophobicContact CG1-CG2 4.43Å; L1018-I1036 HydrophobicContact CD1-CG2 4.04Å; A1026-I1036 HydrophobicContact CB-CG1 4.2Å; I1036-R1038 HydrophobicContact CG2-CG 3.8Å |
| 1037 | C | 90.7 | Very high | 73.4 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.2 | 176.1 | -62.9 | 0 | 0 | 0 | 0 | 109.1 | W42 Q43 S44 G1024 L1025 | W42-C1037 HydrophobicContact CE3-CB 4.09Å; W42-C1037 WeakPolarHBondContact CZ3-O 3.48Å; Q43-C1037 WeakPolarHBondContact O-CA 3.08Å; S44-C1037 PolarHBondContact OG-SG 3.39Å; G1024-C1037 WeakPolarHBondContact CA-O 3.39Å; L1025-C1037 HydrophobicContact CD1-CB 3.76Å; L1025-C1037 HydrophobicContact CG-CB 3.98Å; L1025-C1037 PolarHBondContact N-O 3.07Å; L1025-C1037 PolarHBondContact O-N 3.26Å |
| 1038 | R | 88.4 | Confident | 70.2 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 147.5 | 179 | -52.6 | -162.6 | -158.9 | 80.3 | 2.2 | 111.3 | W42 Q43 Q45 V83 K84 I1036 | W42-R1038 WeakPolarHBondContact CA-O 3.29Å; Q43-R1038 PolarHBondContact N-O 3.11Å; Q43-R1038 PolarHBondContact O-N 2.82Å; Q45-R1038 VanDerWaalsContact OE1-CZ 3.28Å; V83-R1038 PolarHBondContact O-NE 3.26Å; V83-R1038 VanDerWaalsContact O-NE 3.15Å; V83-R1038 PolarHBondContact O-NH2 3.32Å; K84-R1038 PolarHBondContact O-NH2 3.43Å; K84-R1038 VanDerWaalsContact O-NH2 3.09Å; I1036-R1038 HydrophobicContact CG2-CG 3.8Å |
| 1039 | P | 86.9 | Confident | 67.6 | Low | 21 Ų | 21 | 71.1 Ų | 71.1 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 140.9 | 170.6 | 33 | -34.8 | 0 | 0 | 0 | 110.8 | V37 M40 A1022 | V37-P1039 HydrophobicContact CG1-CB 3.96Å; V37-P1039 HydrophobicContact CG1-CG 3.88Å; V37-P1039 HydrophobicContact CG2-CG 4.47Å; M40-P1039 HydrophobicContact CB-CB 3.84Å; M40-P1039 HydrophobicContact CG-CB 4.46Å; M40-P1039 HydrophobicContact SD-CB 3.89Å; A1022-P1039 WeakPolarHBondContact O-CD 3.42Å; A1022-P1039 WeakPolarHBondContact O-CG 3.49Å |
| 1040 | V | 82.6 | Confident | 64.9 | Low | 51 Ų | 51 | 75.7 Ų | 75.7 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.6 | -175.1 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | K41 Q43 | K41-V1040 PolarHBondContact O-N 3.13Å; Q43-V1040 HydrophobicContact CB-CG2 3.61Å |
| 1041 | F | 67.1 | Low | 62.2 | Low | 165 Ų | 165 | 83.7 Ų | 83.7 | 72% | 0.724 | 46% | 0.456 | S | S | * | . | trans | -72.7 | 127 | 173.4 | -72.1 | -90.5 | 0 | 0 | 0 | 110.6 | M40 R1043 | M40-F1041 HydrophobicContact CE-CD1 4.12Å; M40-F1041 HydrophobicContact CE-CE1 3.51Å; M40-F1041 HydrophobicContact CE-CE2 4.18Å; M40-F1041 HydrophobicContact CE-CZ 3.55Å; F1041-R1043 PolarHBondContact O-N 2.88Å | ||
| 1042 | Y | 47.9 | Very low | 59.9 | Low | 188 Ų | 188 | 88.7 Ų | 88.7 | 74% | 0.737 | 49% | 0.492 | S | S | * | . | trans | -77.3 | 100.8 | 169.5 | -170.5 | -98.4 | 0 | 0 | 0 | 109.2 | ||||
| 1043 | R | 42.2 | Very low | 57 | Low | 208 Ų | 208 | 94.2 Ų | 94.2 | 79% | 0.785 | 53% | 0.53 | S | S | * | . | trans | -73.8 | 136.6 | 153.8 | -74.1 | -166.4 | -179.8 | -170.5 | 1.9 | 107.5 | F1041 D1045 | F1041-R1043 PolarHBondContact O-N 2.88Å; R1043-D1045 PolarHBondContact O-N 3.37Å | ||
| 1044 | S | 35.8 | Very low | 54.1 | Low | 95 Ų | 95 | 98.7 Ų | 98.7 | 66% | 0.664 | 56% | 0.562 | S | S | * | * | trans | -96.7 | 32.8 | -175.6 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1045 | D | 33.9 | Very low | 50.9 | Low | 122 Ų | 122 | 107.2 Ų | 107.2 | 65% | 0.652 | 60% | 0.602 | S | S | * | * | trans | -106.4 | 126.1 | -176.7 | -53.6 | -60.8 | 0 | 0 | 0 | 108.3 | R1043 E1047 | R1043-D1045 PolarHBondContact O-N 3.37Å; D1045-E1047 PolarHBondContact O-N 3.49Å; D1045-E1047 VanDerWaalsContact O-N 3.1Å | ||
| 1046 | G | 39.6 | Very low | 48.1 | Very low | 88 Ų | 88 | 111.5 Ų | 111.5 | 91% | 0.907 | 63% | 0.63 | S | S | * | * | trans | -86.8 | 68.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1047 | E | 31.8 | Very low | 44.9 | Very low | 189 Ų | 189 | 119.5 Ų | 119.5 | 88% | 0.883 | 67% | 0.671 | S | S | * | * | trans | -120.8 | 148.9 | 169.8 | -73 | -173.2 | 136.2 | 0 | 0 | 112.4 | D1045 | D1045-E1047 PolarHBondContact O-N 3.49Å; D1045-E1047 VanDerWaalsContact O-N 3.1Å | ||
| 1048 | S | 27.7 | Very low | 41.7 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -78.5 | 155.8 | -179.1 | 42.9 | 0 | 0 | 0 | 0 | 111.9 | A1050 | S1048-A1050 PolarHBondContact O-N 2.95Š| ||
| 1049 | P | 36.5 | Very low | 38.6 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | -73.7 | 93.9 | -178.3 | 30.1 | -34.9 | 0 | 0 | 0 | 111.6 | ||||
| 1050 | A | 31.6 | Very low | 35.7 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -77.1 | 163.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1048 | S1048-A1050 PolarHBondContact O-N 2.95Š| ||
| 1051 | E | 27.8 | Very low | 33 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -73.1 | 152.2 | -168.7 | -61.5 | -171.7 | 138.1 | 0 | 0 | 114.4 | S1053 | E1051-S1053 PolarHBondContact O-N 2.98Å; E1051-S1053 VanDerWaalsContact O-N 3.15Å | ||
| 1052 | P | 35.8 | Very low | 30.9 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -79.1 | 95.8 | 178.2 | 32.3 | -34.4 | 0 | 0 | 0 | 112 | ||||
| 1053 | S | 24.1 | Very low | 29.9 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -86 | 170.5 | 161.1 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | E1051 | E1051-S1053 PolarHBondContact O-N 2.98Å; E1051-S1053 VanDerWaalsContact O-N 3.15Å | ||
| 1054 | S | 27.1 | Very low | 29 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -104.6 | 160.5 | -150.9 | 55.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1055 | E | 27.6 | Very low | 28.5 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | 75 | 155.3 | 160.9 | -70.6 | -66 | 102.7 | 0 | 0 | 118.6 | ||||
| 1056 | P | 33.3 | Very low | 28.2 | Very low | 96 Ų | 96 | 132 Ų | 132 | 62% | 0.623 | 81% | 0.807 | S | S | * | * | trans | -109.2 | 156.1 | -157.8 | 40 | -33.6 | 0 | 0 | 0 | 115.2 | ||||
| 1057 | L | 24.7 | Very low | 27.6 | Very low | 168 Ų | 168 | 139 Ų | 139 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -131.2 | 111.9 | 164.1 | -80.3 | 172.7 | 0 | 0 | 0 | 112 | ||||
| 1058 | F | 23.7 | Very low | 27.5 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -91.8 | 121.7 | 154.1 | -100.9 | -86 | 0 | 0 | 0 | 108.4 | ||||
| 1059 | S | 23.7 | Very low | 27.5 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -146.4 | 106.8 | 162.6 | -84.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1060 | V | 26.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | trans | -79.7 | 135.8 | 166.3 | 174 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1061 | N | 24.4 | Very low | 26.9 | Very low | 170 Ų | 170 | 141 Ų | 141 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -146.6 | 149.7 | 153.3 | -115.9 | -29.2 | 0 | 0 | 0 | 111.6 | ||||
| 1062 | N | 24.8 | Very low | 26.9 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -143.5 | 98.7 | -161.5 | 176.4 | 33 | 0 | 0 | 0 | 111.9 | ||||
| 1063 | S | 26.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -167.3 | 139.6 | 172.2 | 54 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1064 | G | 23.5 | Very low | 27.3 | Very low | 58 Ų | 58 | 145.4 Ų | 145.4 | 60% | 0.598 | 81% | 0.81 | S | S | * | * | cis | 150.3 | 126.4 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1065 | T | 25.9 | Very low | 27.3 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 93% | 0.933 | 81% | 0.81 | S | S | * | * | trans | 68.7 | 159.4 | 177.3 | 85.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1066 | S | 25.8 | Very low | 28 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 57% | 0.566 | 81% | 0.81 | S | S | * | * | cis | -162.8 | 135.2 | -10.1 | 130.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1067 | R | 27 | Very low | 27.7 | Very low | 234 Ų | 234 | 144.8 Ų | 144.8 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | 65.8 | 166.9 | 158.9 | -57.1 | 165.3 | -170.7 | 174.8 | 2.4 | 114.5 | ||||
| 1068 | T | 30.3 | Very low | 28 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | cis | -125 | -179.4 | 8.8 | 46 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1069 | R | 28.9 | Very low | 28.2 | Very low | 243 Ų | 243 | 144 Ų | 144 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -75.4 | 149.2 | -178.4 | -67.3 | 171.1 | 169.7 | 155.2 | -6.9 | 113.2 | ||||
| 1070 | G | 26 | Very low | 28.4 | Very low | 83 Ų | 83 | 141.5 Ų | 141.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -144.5 | 119.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1071 | S | 29.1 | Very low | 28.4 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -122.8 | 120.8 | -171.3 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1072 | D | 28.1 | Very low | 28.6 | Very low | 162 Ų | 162 | 150 Ų | 150 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -153.8 | 137.9 | 156.5 | -108.8 | -39.2 | 0 | 0 | 0 | 113.8 | ||||
| 1073 | R | 30.4 | Very low | 28.8 | Very low | 239 Ų | 239 | 149.3 Ų | 149.3 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -164.5 | 127.8 | 167.6 | -93.9 | -169.9 | 177.8 | -174.5 | -0 | 105.2 | ||||
| 1074 | P | 37 | Very low | 28.9 | Very low | 133 Ų | 133 | 150.8 Ų | 150.8 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | -147.3 | 173.2 | 82.6 | 39.5 | -24 | 0 | 0 | 0 | 115 | |||||
| 1075 | G | 27.8 | Very low | 29.4 | Very low | 72 Ų | 72 | 157.8 Ų | 157.8 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | 133 | 114.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1076 | P | 42.2 | Very low | 29.6 | Very low | 130 Ų | 130 | 156.7 Ų | 156.7 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | trans | -92.4 | 145.8 | 171.4 | 35.3 | -31.2 | 0 | 0 | 0 | 111.6 | ||||
| 1077 | N | 26 | Very low | 29.8 | Very low | 167 Ų | 167 | 162.1 Ų | 162.1 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -146.6 | 164.5 | 158.4 | -135.3 | -23.4 | 0 | 0 | 0 | 112.8 | ||||
| 1078 | R | 30.7 | Very low | 29.9 | Very low | 224 Ų | 224 | 154.4 Ų | 154.4 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -110.4 | 168.2 | -170.4 | -66.6 | 177.2 | 170.5 | -174.4 | -1.7 | 112.5 | ||||
| 1079 | S | 28.9 | Very low | 30 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | 60.2 | 161.7 | 174.6 | 70.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1080 | G | 27.6 | Very low | 29.9 | Very low | 62 Ų | 62 | 152.9 Ų | 152.9 | 64% | 0.639 | 82% | 0.824 | S | S | * | * | cis | -110.6 | -174.7 | -24 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1081 | W | 26.7 | Very low | 30 | Very low | 236 Ų | 236 | 156.6 Ų | 156.6 | 89% | 0.894 | 82% | 0.824 | S | S | * | * | cis | -144.3 | 156.7 | 23.8 | -78 | 76 | 0 | 0 | 0 | 112.2 | L1083 | W1081-L1083 HydrophobicContact CE3-CD1 3.94Å; W1081-L1083 HydrophobicContact CZ3-CD1 4.07Å | ||
| 1082 | R | 27.7 | Very low | 30 | Very low | 237 Ų | 237 | 155.7 Ų | 155.7 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -132.9 | 129.4 | 159.5 | -80.8 | -174.6 | 177.6 | -89.6 | 4 | 108.6 | ||||
| 1083 | L | 29.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 155.9 Ų | 155.9 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | trans | -155.5 | 140.7 | 153.1 | -87.1 | 115.9 | 0 | 0 | 0 | 106.7 | W1081 | W1081-L1083 HydrophobicContact CE3-CD1 3.94Å; W1081-L1083 HydrophobicContact CZ3-CD1 4.07Å | ||
| 1084 | D | 28.3 | Very low | 30 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | cis | -148.1 | -175 | -20.8 | -146.5 | -18.7 | 0 | 0 | 0 | 110.9 | ||||
| 1085 | R | 33.1 | Very low | 29.6 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | trans | -136 | 146.2 | -165.2 | -171.8 | 176.9 | -176.4 | -173.9 | 3.8 | 114.5 | ||||
| 1086 | D | 30.3 | Very low | 29.8 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 69% | 0.69 | 82% | 0.82 | S | S | * | * | trans | 14.6 | 103.5 | 157.3 | -46.6 | -43.2 | 0 | 0 | 0 | 118.9 | ||||
| 1087 | M | 29 | Very low | 29.3 | Very low | 195 Ų | 195 | 154.2 Ų | 154.2 | 96% | 0.961 | 82% | 0.816 | S | S | * | * | trans | -139 | 153.2 | 142.1 | -74.7 | -153.8 | -67.7 | 0 | 0 | 107.8 | ||||
| 1088 | G | 30 | Very low | 29.5 | Very low | 72 Ų | 72 | 157.3 Ų | 157.3 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | cis | 170 | 141.7 | -0.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1089 | L | 31.8 | Very low | 29.6 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -88.7 | 158.1 | -173.1 | -86.8 | 168.1 | 0 | 0 | 0 | 113.5 | ||||
| 1090 | M | 27.5 | Very low | 29.8 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | 72.7 | 131.5 | -179.5 | -59.9 | 171.2 | 165.5 | 0 | 0 | 113.8 | ||||
| 1091 | N | 28.3 | Very low | 29.9 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | cis | -139.7 | 177.2 | 29 | -103.7 | -38.6 | 0 | 0 | 0 | 114.6 | ||||
| 1092 | A | 28.4 | Very low | 30.2 | Very low | 84 Ų | 84 | 149.9 Ų | 149.9 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | trans | -104.4 | -177.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1093 | I | 30.6 | Very low | 30.3 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | 75.8 | 119.4 | -175.3 | -49.9 | 173.5 | 0 | 0 | 0 | 112.2 | ||||
| 1094 | G | 29.3 | Very low | 30.2 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -127.7 | 168.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1095 | L | 27.4 | Very low | 30.4 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | trans | -135.6 | 144.3 | 166.2 | -83.1 | 171.1 | 0 | 0 | 0 | 108.8 | ||||
| 1096 | Q | 32.7 | Very low | 30.3 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 132.4 | 178 | -66.8 | 174.3 | -30.4 | 0 | 0 | 111.1 | R1098 | Q1096-R1098 PolarHBondContact O-N 3.17Š|
| 1097 | P | 30.9 | Very low | 30.3 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.1 | 152.7 | -13 | 29.3 | 0 | 0 | 0 | 108.8 | ||
| 1098 | R | 30.5 | Very low | 30.3 | Very low | 232 Ų | 232 | 135.1 Ų | 135.1 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 123.3 | 166 | -80 | 176.6 | 164.7 | 166.1 | -6.6 | 108.6 | Q1096 | Q1096-R1098 PolarHBondContact O-N 3.17Š|
| 1099 | N | 32 | Very low | 30.2 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 132.8 | 167.8 | -69.4 | -8.8 | 0 | 0 | 0 | 109.5 | ||
| 1100 | P | 33 | Very low | 30.1 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 149.9 | 167.1 | 31.4 | -33.9 | 0 | 0 | 0 | 110.2 | ||
| 1101 | A | 29.6 | Very low | 30.2 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 128.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1103 | A1101-S1103 PolarHBondContact O-N 2.66Š|
| 1102 | P | 33.9 | Very low | 30.6 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 120.2 | 168 | 30 | -31.4 | 0 | 0 | 0 | 109.9 | ||
| 1103 | S | 29.6 | Very low | 30.6 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 146.7 | 170.7 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | A1101 | A1101-S1103 PolarHBondContact O-N 2.66Š|
| 1104 | V | 28.9 | Very low | 30.5 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 131.7 | 175.6 | 176.9 | 0 | 0 | 0 | 0 | 111 | ||
| 1105 | T | 31.6 | Very low | 30.6 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -122.7 | 155.1 | 151.5 | 46.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1106 | S | 30.1 | Very low | 30.8 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -129.9 | -179.7 | -166.6 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1107 | Q | 30.9 | Very low | 31 | Very low | 196 Ų | 196 | 139 Ų | 139 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | 78.2 | 135.1 | -170.7 | -48.6 | 178.5 | 6.2 | 0 | 0 | 113.7 | ||||
| 1108 | G | 28.7 | Very low | 31 | Very low | 60 Ų | 60 | 140.2 Ų | 140.2 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | cis | 173.4 | 159.5 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1109 | T | 29.1 | Very low | 31.2 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | 58.6 | 153.5 | 172 | 59.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1110 | Q | 29.9 | Very low | 31.3 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | cis | -152.2 | 161.7 | -12.2 | -123.3 | 167.2 | 6.5 | 0 | 0 | 109.9 | ||||
| 1111 | T | 28.9 | Very low | 31.3 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -103.2 | 136.7 | 177 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1112 | P | 35.8 | Very low | 31.3 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -87 | 164 | 155.1 | 34.8 | -31 | 0 | 0 | 0 | 111.7 | ||||
| 1113 | I | 28.4 | Very low | 31.2 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | -118.2 | 150.5 | -167.7 | -72 | 165.3 | 0 | 0 | 0 | 110.6 | ||||
| 1114 | V | 30.2 | Very low | 31.1 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 87% | 0.873 | 77% | 0.771 | S | S | * | * | trans | -89.9 | 128.3 | 163.9 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1115 | Q | 29.6 | Very low | 31.1 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -106.3 | 160.9 | -171.1 | -152.9 | 165.4 | 4.4 | 0 | 0 | 112.8 | ||||
| 1116 | L | 32.3 | Very low | 30.8 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -81.5 | -169 | -173 | -72.5 | 141.8 | 0 | 0 | 0 | 110.9 | ||||
| 1117 | Q | 36.6 | Very low | 30.6 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -175.4 | 172 | 37.9 | -166.1 | 165.1 | -10.8 | 0 | 0 | 114.5 | ||||
| 1118 | N | 31.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | 125.2 | 139 | 154.3 | -61.9 | -6.7 | 0 | 0 | 0 | 111.8 | ||||
| 1119 | A | 35.5 | Very low | 30.3 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | cis | -174.2 | 162.5 | -15.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1120 | E | 33.9 | Very low | 31.2 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -165.1 | -165.3 | -20.7 | -107 | 168.1 | -120.7 | 0 | 0 | 107.3 | ||||
| 1121 | T | 32.6 | Very low | 31 | Very low | 119 Ų | 119 | 138 Ų | 138 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | cis | -147.9 | -100.7 | 19.1 | -35 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1122 | Q | 29.9 | Very low | 30.9 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -147.9 | 172.3 | -166.5 | -67.3 | 170.2 | -7.1 | 0 | 0 | 109.8 | ||||
| 1123 | T | 30.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | cis | -161.7 | 167.5 | 18.2 | -19.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1124 | E | 28.9 | Very low | 30.5 | Very low | 143 Ų | 143 | 137 Ų | 137 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | trans | 81.9 | 120.8 | 148.8 | -71 | -153.9 | 116.3 | 0 | 0 | 126.1 | ||||
| 1125 | R | 29.1 | Very low | 30.4 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | 80.3 | 120.9 | 125.7 | -73.6 | -171.1 | 135.2 | 107.6 | -1.8 | 126.9 | |||||
| 1126 | E | 24.7 | Very low | 31.5 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | 83.1 | 107 | 125.2 | -69.2 | 173 | -170.4 | 0 | 0 | 125.1 | |||||
| 1127 | L | 25.5 | Very low | 32.7 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 67.2 | 101 | 123 | -62.7 | 171.7 | 0 | 0 | 0 | 124.4 | |||||
| 1128 | S | 24.7 | Very low | 32.4 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | 60.8 | 128.5 | 110.9 | -53.3 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 1129 | E | 28.6 | Very low | 32.6 | Very low | 183 Ų | 183 | 128.9 Ų | 128.9 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | 72.5 | 168.1 | 136.1 | -90.5 | -166.6 | -168.8 | 0 | 0 | 122.1 | ||||
| 1130 | P | 48.7 | Very low | 32.3 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | cis | -131.6 | -179.9 | -15.5 | 27.4 | -5.5 | 0 | 0 | 0 | 115.1 | ||||
| 1131 | G | 24.9 | Very low | 32.4 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | 166 | 119.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1132 | A | 26.5 | Very low | 33.1 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -125.1 | 143.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1133 | S | 28.9 | Very low | 33.2 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 21.1 | 131.6 | 148.6 | 64.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1134 | Q | 28.2 | Very low | 33.5 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | -179.2 | 177.8 | 103.8 | -95 | 177.9 | 25.1 | 0 | 0 | 113.2 | |||||
| 1135 | Q | 27 | Very low | 33.8 | Very low | 181 Ų | 181 | 128.1 Ų | 128.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -106.6 | -165.4 | -177.3 | -61.9 | -179.7 | -84.7 | 0 | 0 | 110.9 | ||||
| 1136 | P | 53.5 | Low | 34.2 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -118.9 | -140.3 | -72.8 | 40.6 | -23 | 0 | 0 | 0 | 108.4 | |||||
| 1137 | P | 56.2 | Low | 34.8 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | -131.7 | 175.5 | -23.1 | 37 | -18.4 | 0 | 0 | 0 | 115.9 | ||||
| 1138 | S | 32 | Very low | 35.3 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 61.3 | 129.9 | 142 | 64.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1139 | A | 35 | Very low | 35.8 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | 119 | 132.9 | 124.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1140 | E | 29 | Very low | 36 | Very low | 202 Ų | 202 | 127 Ų | 127 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | 66.7 | 163.8 | 154.8 | -65.5 | -173.3 | 154.7 | 0 | 0 | 121.8 | ||||
| 1141 | A | 36.6 | Very low | 36.8 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -117 | 179.9 | -162.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1142 | P | 47 | Very low | 38.4 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | -149 | -160.6 | 114.4 | 39.9 | -23.1 | 0 | 0 | 0 | 114.7 | |||||
| 1143 | S | 31.1 | Very low | 38.9 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -142 | 151.7 | -162.1 | 55.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1144 | T | 36.6 | Very low | 39.1 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 53.2 | 123.4 | 145.8 | 55 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1145 | S | 36.4 | Very low | 40 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | 156.5 | 150.9 | 96.3 | 61 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1146 | R | 36.5 | Very low | 40.1 | Very low | 243 Ų | 243 | 130.3 Ų | 130.3 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | 66.3 | 118.5 | 146.4 | -95.3 | -175.7 | 165.9 | 167.4 | -4.1 | 126.1 | ||||
| 1147 | A | 38.3 | Very low | 39 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | 91.4 | 137.3 | 118.4 | 0 | 0 | 0 | 0 | 0 | 125 | |||||
| 1148 | A | 35.8 | Very low | 37.7 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | 126.3 | 114.9 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1149 | Q | 34.6 | Very low | 37.5 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | 55 | 142.6 | 136.3 | -66.8 | -178.3 | -23.5 | 0 | 0 | 127.2 | ||||
| 1150 | A | 33.3 | Very low | 37.1 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 102.2 | 151.4 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1151 | P | 66.2 | Low | 37.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -119.6 | -152.9 | -163.6 | 44.2 | -26.3 | 0 | 0 | 0 | 113.2 | ||||
| 1152 | P | 57.9 | Low | 36.6 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | cis | -143.8 | -168 | -1.4 | 44 | -22.1 | 0 | 0 | 0 | 118.8 | ||||
| 1153 | E | 36 | Very low | 35.6 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | 83 | 168.1 | 147.9 | -86 | 166.5 | -140.9 | 0 | 0 | 125.3 | ||||
| 1154 | T | 34.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -121.5 | -173.3 | -146.6 | 46 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1155 | P | 46.3 | Very low | 35 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | cis | -152.1 | 178.8 | 21.5 | 46.7 | -23.8 | 0 | 0 | 0 | 122 | ||||
| 1156 | E | 30.4 | Very low | 34.6 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 33 | 129.9 | 144.9 | -67.9 | -166.6 | 148.9 | 0 | 0 | 128.8 | ||||
| 1157 | S | 29.7 | Very low | 34.3 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | 93.8 | 150.8 | 125 | 77.5 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 1158 | S | 28.6 | Very low | 33.8 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 74.6 | 158.9 | 159 | 77.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1159 | A | 27.5 | Very low | 33.4 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | cis | -171.8 | 167.8 | -35.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1160 | V | 27.5 | Very low | 33.2 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | 75.8 | 157.2 | 154.8 | 167.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1161 | Q | 28.5 | Very low | 33 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -101.6 | 160.3 | -178 | -55.3 | 162.1 | -72.7 | 0 | 0 | 112 | ||||
| 1162 | D | 25.8 | Very low | 31.2 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | 163.2 | 163 | 119.7 | -102.2 | -32.6 | 0 | 0 | 0 | 115.5 | |||||
| 1163 | G | 26 | Very low | 29.8 | Very low | 62 Ų | 62 | 131.3 Ų | 131.3 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | trans | 85.2 | 123.7 | 168 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1164 | V | 26.6 | Very low | 29.6 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | cis | 76.7 | 133.6 | 20 | -166.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1165 | R | 28.2 | Very low | 30.4 | Very low | 226 Ų | 226 | 126.4 Ų | 126.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 98.7 | 146.3 | 175.3 | -62.1 | -161 | 168.9 | 178.3 | -3.7 | 116.6 | ||||
| 1166 | T | 29 | Very low | 29.8 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 59% | 0.589 | 80% | 0.795 | S | S | * | * | cis | -170.7 | 145.8 | -21 | 29.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1167 | E | 29.3 | Very low | 29.9 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 54.1 | 176.6 | 138.9 | -59.3 | 160.3 | 171.4 | 0 | 0 | 118.1 | ||||
| 1168 | A | 29.1 | Very low | 30.2 | Very low | 86 Ų | 86 | 121.2 Ų | 121.2 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | -137 | 155 | -4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1169 | S | 26.8 | Very low | 30.7 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | cis | 86.1 | 112.4 | 16.6 | 82.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1170 | A | 30.2 | Very low | 30.9 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | 70.7 | 157 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1171 | E | 28.6 | Very low | 31 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | cis | -153.4 | 168.7 | 7.7 | -154.4 | 163.6 | -129.7 | 0 | 0 | 114.3 | ||||
| 1172 | S | 28.4 | Very low | 31.2 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | 85.2 | 142.2 | 157.8 | 80.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1173 | G | 29.8 | Very low | 31.5 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | 108.5 | 80.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1174 | G | 31.4 | Very low | 31.8 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | trans | -115.8 | -173.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1175 | P | 51.7 | Low | 32.2 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | cis | -129.5 | 167 | -3.9 | 41.2 | -26.9 | 0 | 0 | 0 | 114.5 | ||||
| 1176 | A | 32.3 | Very low | 32.5 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 90% | 0.901 | 83% | 0.829 | S | S | * | * | trans | -156.1 | 157.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1177 | A | 33.8 | Very low | 32.8 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 90% | 0.901 | 85% | 0.847 | S | S | * | * | trans | -99.1 | 165.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1178 | G | 34.7 | Very low | 33 | Very low | 71 Ų | 71 | 116.8 Ų | 116.8 | 73% | 0.732 | 85% | 0.85 | S | S | * | * | trans | 104.3 | 129.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1179 | N | 39.8 | Very low | 33.4 | Very low | 243 Ų | 243 | 119.6 Ų | 119.6 | 100% | 1.299 | 86% | 0.862 | S | S | * | * | cis | -150.6 | 0 | -0.4 | -126.7 | 13.1 | 0 | 0 | 0 | 110.3 |
Retrieved 1,179 of 1,179 residues in 956.6 ms
(Link to these results)