| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.3 | Very low | 43.2 | Very low | 246 Ų | 246 | 143.1 Ų | 143.1 | 100% | 1.212 | 79% | 0.789 | S | S | * | * | 0 | 66.4 | 0 | -64.6 | -71.9 | -101.3 | 0 | 0 | 111 | |||||
| 2 | S | 50.2 | Low | 43.3 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -151 | 39.3 | -165.6 | -165.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3 | K | 46.1 | Very low | 42.8 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -132.5 | -7.6 | 176 | -68.4 | -173.8 | 179.7 | 175.7 | 0 | 115.8 | ||
| 4 | I | 50.8 | Low | 43.1 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -96.9 | -28.7 | -175 | -60.5 | 169 | 0 | 0 | 0 | 112.2 | K6 | I4-K6 VanDerWaalsContact C-N 3.35Å; I4-K6 PolarHBondContact O-N 3.25Å |
| 5 | S | 41.5 | Very low | 43.3 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -20.5 | -177.5 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 6 | K | 39.2 | Very low | 43.7 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -21.6 | -179.7 | -143.6 | 172.4 | -174.1 | 175.1 | 0 | 112.9 | I4 | I4-K6 VanDerWaalsContact C-N 3.35Å; I4-K6 PolarHBondContact O-N 3.25Å |
| 7 | A | 42.4 | Very low | 44.5 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -22 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K9 | A7-K9 VanDerWaalsContact C-N 3.28Å; A7-K9 PolarHBondContact O-N 3.38Å |
| 8 | V | 40.3 | Very low | 45.9 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -74.9 | -18.2 | 179.8 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | A10 | V8-A10 VanDerWaalsContact C-N 3.26Å; V8-A10 PolarHBondContact O-N 3.38Å |
| 9 | K | 38.2 | Very low | 47.7 | Very low | 196 Ų | 196 | 126.2 Ų | 126.2 | 85% | 0.852 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -81.8 | 1.4 | -179.6 | -151.3 | 170.9 | -176.9 | 174.8 | 0 | 114.1 | A7 | A7-K9 VanDerWaalsContact C-N 3.28Å; A7-K9 PolarHBondContact O-N 3.38Å |
| 10 | A | 42.4 | Very low | 49.4 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -97.6 | 20.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V8 K12 | V8-A10 VanDerWaalsContact C-N 3.26Å; V8-A10 PolarHBondContact O-N 3.38Å; A10-K12 PolarHBondContact O-N 3.41Å |
| 11 | V | 37.5 | Very low | 51 | Low | 122 Ų | 122 | 124.3 Ų | 124.3 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -81.2 | 108.7 | 164.8 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | K13 | V11-K13 PolarHBondContact O-N 3.09Š|
| 12 | K | 45.3 | Very low | 52.8 | Low | 169 Ų | 169 | 113.3 Ų | 113.3 | 74% | 0.735 | 62% | 0.619 | S | S | * | * | trans | -40.5 | 112.7 | 171.8 | -102.5 | 171.8 | 174.4 | 168.9 | 0 | 109.1 | A10 V14 | A10-K12 PolarHBondContact O-N 3.41Å; K12-V14 PolarHBondContact O-N 2.98Å | ||
| 13 | K | 36.8 | Very low | 54.5 | Low | 172 Ų | 172 | 113.9 Ų | 113.9 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | trans | -55.2 | 107.2 | 161.9 | -136.1 | 178.6 | -174.2 | -178.6 | 0 | 105.4 | V11 D15 | V11-K13 PolarHBondContact O-N 3.09Å; K13-D15 PolarHBondContact O-N 3.27Å | ||
| 14 | V | 46.3 | Very low | 56.3 | Low | 119 Ų | 119 | 105 Ų | 105 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | trans | -74.3 | 88.2 | 172.9 | 178.5 | 0 | 0 | 0 | 0 | 104.9 | K12 T16 | K12-V14 PolarHBondContact O-N 2.98Å; V14-T16 PolarHBondContact O-N 3.43Å; V14-T16 PolarHBondContact O-OG1 3.35Å | ||
| 15 | D | 46 | Very low | 57.9 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | trans | -70.7 | 86.7 | 171.2 | -66.7 | -50.2 | 0 | 0 | 0 | 107.5 | K13 G17 N18 | K13-D15 PolarHBondContact O-N 3.27Å; D15-G17 PolarHBondContact O-N 2.72Å; D15-N18 PolarHBondContact O-N 3.18Å | ||
| 16 | T | 50.7 | Low | 59.8 | Low | 124 Ų | 124 | 100.7 Ų | 100.7 | 76% | 0.761 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -8.9 | -179.6 | -29.4 | 0 | 0 | 0 | 0 | 112.9 | V14 | V14-T16 PolarHBondContact O-N 3.43Å; V14-T16 PolarHBondContact O-OG1 3.35Å |
| 17 | G | 56.4 | Low | 61.4 | Low | 58 Ų | 58 | 93.2 Ų | 93.2 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | D15 K42 | D15-G17 PolarHBondContact O-N 2.72Å; G17-K42 PolarHBondContact O-NZ 2.54Å; G17-K42 VanDerWaalsContact O-NZ 3.17Å |
| 18 | N | 70.6 | Confident | 63.1 | Low | 35 Ų | 35 | 95.1 Ų | 95.1 | 19% | 0.187 | 51% | 0.506 | C | S | . | . | trans | -105.6 | 26.8 | -175.5 | -103.7 | 12.8 | 0 | 0 | 0 | 114.8 | D15 K42 V72 | D15-N18 PolarHBondContact O-N 3.18Å; N18-K42 PolarHBondContact OD1-NZ 2.89Å; N18-V72 HydrophobicContact CB-CB 4.02Å; N18-V72 VanDerWaalsContact CB-O 3.29Å; N18-V72 WeakPolarHBondContact CB-O 3.43Å; N18-V72 PolarHBondContact ND2-O 3.1Å; N18-V72 PolarHBondContact O-N 3.46Å | ||
| 19 | V | 79.4 | Confident | 64.7 | Low | 61 Ų | 61 | 90.4 Ų | 90.4 | 37% | 0.37 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 114.5 | 174.5 | -170 | 0 | 0 | 0 | 0 | 109.9 | I70 H71 | V19-I70 CarbonylContact C-O 3.51Å; V19-I70 WeakPolarHBondContact CA-O 3.46Å; V19-H71 WeakPolarHBondContact CG2-ND1 3.29Å |
| 20 | I | 81.9 | Confident | 66.4 | Low | 13 Ų | 13 | 83.9 Ų | 83.9 | 7% | 0.067 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.7 | 173.8 | -52.9 | 168.4 | 0 | 0 | 0 | 108.1 | I38 L39 K42 I44 K69 I70 V72 | I20-I38 HydrophobicContact CD1-CG2 4.4Å; I20-I38 HydrophobicContact CG2-CG2 3.58Å; I20-L39 HydrophobicContact CD1-CD2 3.79Å; I20-K42 HydrophobicContact CD1-CB 4.12Å; I20-K42 HydrophobicContact CD1-CG 3.86Å; I20-K42 HydrophobicContact CG1-CG 4.38Å; I20-I44 HydrophobicContact CD1-CD1 3.76Å; I20-K69 WeakPolarHBondContact O-CA 3.46Å; I20-I70 HydrophobicContact CB-CB 4.16Å; I20-I70 HydrophobicContact CB-CD1 4.45Å; I20-I70 PolarHBondContact N-O 2.98Å; I20-I70 PolarHBondContact O-N 2.88Å; I20-V72 HydrophobicContact CD1-CG2 4.1Å; I20-V72 HydrophobicContact CG1-CG2 4.45Å |
| 21 | R | 83.6 | Confident | 67.7 | Low | 200 Ų | 200 | 84 Ų | 84 | 76% | 0.755 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121 | 172.1 | -60.3 | -178.3 | -175.1 | -178.5 | 3.2 | 108 | I68 | R21-I68 WeakPolarHBondContact CA-O 3.17Å |
| 22 | A | 83.9 | Confident | 69.5 | Low | 16 Ų | 16 | 79.4 Ų | 79.4 | 13% | 0.132 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 160 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V24 L35 I68 | A22-V24 HydrophobicContact CB-CG2 4.46Å; A22-L35 HydrophobicContact CB-CD2 3.77Å; A22-I68 HydrophobicContact CB-CD1 4.01Å; A22-I68 HydrophobicContact CB-CG1 3.86Å; A22-I68 PolarHBondContact N-O 3.43Å; A22-I68 WeakPolarHBondContact O-CG1 3.07Å; A22-I68 PolarHBondContact O-N 3.03Å |
| 23 | I | 85.1 | Confident | 70.7 | Confident | 118 Ų | 118 | 76.9 Ų | 76.9 | 61% | 0.605 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.7 | 172.9 | -59.2 | 173.8 | 0 | 0 | 0 | 106.4 | P65 | I23-P65 HydrophobicContact CG2-CB 3.79Å |
| 24 | V | 83.7 | Confident | 72.4 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.055 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.7 | -176.1 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | A22 A29 L35 F53 L66 I68 | A22-V24 HydrophobicContact CB-CG2 4.46Å; V24-A29 HydrophobicContact CG1-CB 4.25Å; V24-L35 HydrophobicContact CG1-CD1 3.98Å; V24-L35 HydrophobicContact CG2-CD1 3.64Å; V24-L35 HydrophobicContact CG2-CD2 3.74Å; V24-L35 HydrophobicContact CG2-CG 4.18Å; V24-F53 HydrophobicContact CB-CE1 4.11Å; V24-F53 HydrophobicContact CB-CE2 4.24Å; V24-F53 HydrophobicContact CB-CZ 3.71Å; V24-F53 HydrophobicContact CG1-CD1 4.24Å; V24-F53 HydrophobicContact CG1-CE1 3.56Å; V24-F53 HydrophobicContact CG1-CZ 3.71Å; V24-L66 PolarHBondContact N-O 3.22Å; V24-L66 PolarHBondContact O-N 3.38Å; V24-I68 HydrophobicContact CG2-CD1 3.52Å; V24-I68 HydrophobicContact CG2-CG1 4.04Å |
| 25 | R | 84.6 | Confident | 73.8 | Confident | 157 Ų | 157 | 68.2 Ų | 68.2 | 59% | 0.592 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.7 | 174.3 | -65.4 | -178.4 | -176.7 | 173 | -0.1 | 109.2 | Q28 I64 | R25-Q28 HydrophobicContact CB-CB 4.45Å; R25-Q28 PolarHBondContact O-N 2.86Å; R25-I64 WeakPolarHBondContact CA-O 3.45Å |
| 26 | S | 81.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 140.1 | 174.8 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | Q28 K61 G63 I64 | S26-Q28 PolarHBondContact O-N 3.18Å; S26-K61 PolarHBondContact OG-O 2.97Å; S26-G63 PolarHBondContact O-N 2.85Å; S26-G63 PolarHBondContact OG-N 3.4Å; S26-G63 VanDerWaalsContact OG-N 3.11Å; S26-I64 PolarHBondContact N-O 3.44Å; S26-I64 PolarHBondContact OG-N 3.06Å; S26-I64 PolarHBondContact OG-O 3.48Å |
| 27 | G | 73.2 | Confident | 76.9 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -9.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | T57 | G27-T57 PolarHBondContact N-OG1 3.05Š|
| 28 | Q | 77 | Confident | 78.1 | Confident | 114 Ų | 114 | 63.5 Ų | 63.5 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | trans | -121.4 | 38.9 | -176.2 | -64.2 | -176.6 | -2.1 | 0 | 0 | 112.6 | R25 S26 A30 | R25-Q28 HydrophobicContact CB-CB 4.45Å; R25-Q28 PolarHBondContact O-N 2.86Å; S26-Q28 PolarHBondContact O-N 3.18Å; Q28-A30 PolarHBondContact O-N 3.01Å; Q28-A30 VanDerWaalsContact O-N 3.1Å | ||
| 29 | A | 74 | Confident | 78.6 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | trans | -72.4 | 106 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | V24 C50 F53 N54 | V24-A29 HydrophobicContact CG1-CB 4.25Å; A29-C50 HydrophobicContact CB-CB 4.26Å; A29-F53 HydrophobicContact CB-CB 4.45Å; A29-F53 HydrophobicContact CB-CD1 3.49Å; A29-F53 VanDerWaalsContact CB-CD1 3.49Å; A29-F53 HydrophobicContact CB-CE1 4.1Å; A29-F53 HydrophobicContact CB-CG 4.28Å; A29-N54 WeakPolarHBondContact CB-OD1 2.98Å; A29-N54 PolarHBondContact N-OD1 3.32Å | ||
| 30 | A | 75.6 | Confident | 78.7 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 49% | 0.488 | 35% | 0.352 | S | S | . | . | trans | -107.2 | 145.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q28 G32 | Q28-A30 PolarHBondContact O-N 3.01Å; Q28-A30 VanDerWaalsContact O-N 3.1Å; A30-G32 PolarHBondContact O-N 2.91Å | ||
| 31 | P | 68.6 | Low | 78.7 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -70.5 | 23.3 | 178 | 30.6 | -36.4 | 0 | 0 | 0 | 114.2 | I46 | P31-I46 HydrophobicContact CB-CG2 3.58Š|
| 32 | G | 75.3 | Confident | 78.4 | Confident | 26 Ų | 26 | 62.5 Ų | 62.5 | 27% | 0.268 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -82.5 | -172.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | A30 P34 L35 G36 | A30-G32 PolarHBondContact O-N 2.91Å; G32-P34 WeakPolarHBondContact O-CD 3.47Å; G32-P34 VanDerWaalsContact O-N 3.1Å; G32-L35 PolarHBondContact O-N 3.47Å; G32-L35 VanDerWaalsContact O-N 3.12Å; G32-G36 PolarHBondContact O-N 2.94Å |
| 33 | P | 70.2 | Confident | 78 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 75% | 0.753 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -30.3 | -170.3 | -27.3 | 34.3 | 0 | 0 | 0 | 118.6 | P37 | P33-P37 WeakPolarHBondContact O-CD 3.33Å; P33-P37 VanDerWaalsContact O-CG 3.29Å; P33-P37 WeakPolarHBondContact O-CG 3.32Å |
| 34 | P | 73.6 | Confident | 77.8 | Confident | 98 Ų | 98 | 58.3 Ų | 58.3 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -25.9 | 179.1 | 28.7 | -34.6 | 0 | 0 | 0 | 113.8 | G32 I38 | G32-P34 WeakPolarHBondContact O-CD 3.47Å; G32-P34 VanDerWaalsContact O-N 3.1Å; P34-I38 WeakPolarHBondContact O-CD1 3.42Å |
| 35 | L | 75.9 | Confident | 77.8 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -39.2 | -175.9 | -70.4 | 173.2 | 0 | 0 | 0 | 112.3 | A22 V24 G32 I38 L39 F49 | A22-L35 HydrophobicContact CB-CD2 3.77Å; V24-L35 HydrophobicContact CG1-CD1 3.98Å; V24-L35 HydrophobicContact CG2-CD1 3.64Å; V24-L35 HydrophobicContact CG2-CD2 3.74Å; V24-L35 HydrophobicContact CG2-CG 4.18Å; G32-L35 PolarHBondContact O-N 3.47Å; G32-L35 VanDerWaalsContact O-N 3.12Å; L35-I38 PolarHBondContact O-N 3.42Å; L35-L39 HydrophobicContact CB-CD1 4.06Å; L35-L39 VanDerWaalsContact O-CB 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 WeakPolarHBondContact O-CG 3.39Å; L35-L39 PolarHBondContact O-N 3.15Å; L35-F49 HydrophobicContact CD1-CE1 4.37Å |
| 36 | G | 78.1 | Confident | 77.7 | Confident | 11 Ų | 11 | 55 Ų | 55 | 11% | 0.113 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.2 | -53.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G32 I38 G40 | G32-G36 PolarHBondContact O-N 2.94Å; G36-I38 PolarHBondContact O-N 3.35Å; G36-G40 WeakPolarHBondContact O-CA 3.31Å; G36-G40 PolarHBondContact O-N 3.22Å |
| 37 | P | 82.2 | Confident | 77.7 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 179.9 | -24.2 | 35.1 | 0 | 0 | 0 | 113.1 | P33 Q41 | P33-P37 WeakPolarHBondContact O-CD 3.33Å; P33-P37 VanDerWaalsContact O-CG 3.29Å; P33-P37 WeakPolarHBondContact O-CG 3.32Å; P37-Q41 WeakPolarHBondContact O-CB 3.46Å; P37-Q41 PolarHBondContact O-N 3.37Å |
| 38 | I | 82.1 | Confident | 78.3 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 40% | 0.395 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.9 | -43.9 | -175.9 | -57.6 | 179.8 | 0 | 0 | 0 | 110.9 | I20 P34 L35 G36 | I20-I38 HydrophobicContact CD1-CG2 4.4Å; I20-I38 HydrophobicContact CG2-CG2 3.58Å; P34-I38 WeakPolarHBondContact O-CD1 3.42Å; L35-I38 PolarHBondContact O-N 3.42Å; G36-I38 PolarHBondContact O-N 3.35Å |
| 39 | L | 81.1 | Confident | 78.6 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.7 | -36.5 | 178.4 | -62.1 | 175.1 | 0 | 0 | 0 | 111.7 | I20 L35 K42 G43 I44 I46 F49 I70 | I20-L39 HydrophobicContact CD1-CD2 3.79Å; L35-L39 HydrophobicContact CB-CD1 4.06Å; L35-L39 VanDerWaalsContact O-CB 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.4Å; L35-L39 WeakPolarHBondContact O-CG 3.39Å; L35-L39 PolarHBondContact O-N 3.15Å; L39-K42 CarbonylContact O-C 3.58Å; L39-K42 PolarHBondContact O-N 3.48Å; L39-G43 PolarHBondContact O-N 3.1Å; L39-I44 HydrophobicContact CB-CB 4.41Å; L39-I44 HydrophobicContact CD2-CD1 3.82Å; L39-I44 PolarHBondContact O-N 2.88Å; L39-I44 VanDerWaalsContact O-N 3.14Å; L39-I46 HydrophobicContact CB-CG1 4.17Å; L39-F49 HydrophobicContact CD1-CD1 3.6Å; L39-F49 HydrophobicContact CD1-CE1 3.92Å; L39-F49 HydrophobicContact CD1-CG 4.04Å; L39-I70 HydrophobicContact CD2-CD1 3.4Å; L39-I70 VanDerWaalsContact CD2-CD1 3.4Å |
| 40 | G | 81 | Confident | 79.2 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G36 K42 G43 | G36-G40 WeakPolarHBondContact O-CA 3.31Å; G36-G40 PolarHBondContact O-N 3.22Å; G40-K42 PolarHBondContact O-N 3.28Å; G40-K42 VanDerWaalsContact O-N 3.16Å; G40-G43 PolarHBondContact O-N 3.06Å |
| 41 | Q | 81.6 | Confident | 79.6 | Confident | 171 Ų | 171 | 60.1 Ų | 60.1 | 80% | 0.799 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.2 | -27.1 | 175.2 | -167.7 | -179.7 | 17.4 | 0 | 0 | 112.5 | P37 | P37-Q41 WeakPolarHBondContact O-CB 3.46Å; P37-Q41 PolarHBondContact O-N 3.37Å |
| 42 | K | 77.4 | Confident | 80.5 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 34% | 0.335 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 0.8 | 179 | -65.9 | -67.5 | -166.6 | 168 | 0 | 113.5 | G17 N18 I20 L39 G40 I44 | G17-K42 PolarHBondContact O-NZ 2.54Å; G17-K42 VanDerWaalsContact O-NZ 3.17Å; N18-K42 PolarHBondContact OD1-NZ 2.89Å; I20-K42 HydrophobicContact CD1-CB 4.12Å; I20-K42 HydrophobicContact CD1-CG 3.86Å; I20-K42 HydrophobicContact CG1-CG 4.38Å; L39-K42 CarbonylContact O-C 3.58Å; L39-K42 PolarHBondContact O-N 3.48Å; G40-K42 PolarHBondContact O-N 3.28Å; G40-K42 VanDerWaalsContact O-N 3.16Å; K42-I44 VanDerWaalsContact C-N 3.34Å; K42-I44 HydrophobicContact CB-CD1 4.25Å; K42-I44 HydrophobicContact CB-CG1 4.25Å; K42-I44 PolarHBondContact O-N 2.83Å |
| 43 | G | 75.8 | Confident | 81 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 26 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L39 G40 | L39-G43 PolarHBondContact O-N 3.1Å; G40-G43 PolarHBondContact O-N 3.06Å |
| 44 | I | 81.1 | Confident | 81.7 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | trans | -87 | 136.2 | 179.3 | -58.3 | 172.7 | 0 | 0 | 0 | 109.4 | I20 L39 K42 I46 I70 V72 Y78 | I20-I44 HydrophobicContact CD1-CD1 3.76Å; L39-I44 HydrophobicContact CB-CB 4.41Å; L39-I44 HydrophobicContact CD2-CD1 3.82Å; L39-I44 PolarHBondContact O-N 2.88Å; L39-I44 VanDerWaalsContact O-N 3.14Å; K42-I44 VanDerWaalsContact C-N 3.34Å; K42-I44 HydrophobicContact CB-CD1 4.25Å; K42-I44 HydrophobicContact CB-CG1 4.25Å; K42-I44 PolarHBondContact O-N 2.83Å; I44-I46 PolarHBondContact O-N 2.73Å; I44-I70 HydrophobicContact CD1-CG2 4.01Å; I44-V72 HydrophobicContact CD1-CG2 3.53Å; I44-V72 HydrophobicContact CG1-CG1 4.39Å; I44-V72 HydrophobicContact CG1-CG2 4.24Å; I44-Y78 HydrophobicContact CG2-CD1 3.58Å; I44-Y78 HydrophobicContact CG2-CE1 4.03Å; I44-Y78 HydrophobicContact CG2-CG 4.11Å | ||
| 45 | P | 83.3 | Confident | 82.4 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 34% | 0.344 | 31% | 0.309 | S | S | . | . | trans | -67.3 | 101.7 | 173.9 | 25.8 | -32.4 | 0 | 0 | 0 | 111.3 | G47 Q48 F49 Y78 | P45-G47 VanDerWaalsContact C-N 3.31Å; P45-G47 PolarHBondContact O-N 3.35Å; P45-Q48 HydrophobicContact CB-CB 4.26Å; P45-Q48 HydrophobicContact CB-CG 4.29Å; P45-Q48 HydrophobicContact CG-CB 4.27Å; P45-Q48 PolarHBondContact O-N 3.41Å; P45-F49 PolarHBondContact O-N 3.06Å; P45-F49 VanDerWaalsContact O-N 3.1Å; P45-Y78 HydrophobicContact CG-CE1 4.16Å | ||
| 46 | I | 82.4 | Confident | 82.7 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.2 | -40.1 | -174.9 | -52.4 | 164.5 | 0 | 0 | 0 | 111.5 | P31 L39 I44 Q48 F49 C50 | P31-I46 HydrophobicContact CB-CG2 3.58Å; L39-I46 HydrophobicContact CB-CG1 4.17Å; I44-I46 PolarHBondContact O-N 2.73Å; I46-Q48 PolarHBondContact O-N 3.36Å; I46-F49 PolarHBondContact O-N 3.24Å; I46-C50 PolarHBondContact O-N 3.35Å; I46-C50 PolarHBondContact O-SG 3.04Å; I46-C50 VanDerWaalsContact O-SG 3.34Å |
| 47 | G | 82.5 | Confident | 82.9 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 52% | 0.515 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P45 K51 | P45-G47 VanDerWaalsContact C-N 3.31Å; P45-G47 PolarHBondContact O-N 3.35Å; G47-K51 WeakPolarHBondContact O-CG 3.37Å; G47-K51 PolarHBondContact O-N 3.34Å |
| 48 | Q | 84.8 | Confident | 82.7 | Confident | 118 Ų | 118 | 62.5 Ų | 62.5 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.8 | -43.8 | 174.8 | -69.7 | 176.3 | -15.3 | 0 | 0 | 110.2 | P45 I46 C50 K51 D52 Y78 | P45-Q48 HydrophobicContact CB-CB 4.26Å; P45-Q48 HydrophobicContact CB-CG 4.29Å; P45-Q48 HydrophobicContact CG-CB 4.27Å; P45-Q48 PolarHBondContact O-N 3.41Å; I46-Q48 PolarHBondContact O-N 3.36Å; Q48-C50 PolarHBondContact O-N 3.11Å; Q48-K51 PolarHBondContact O-N 2.65Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; Q48-D52 VanDerWaalsContact O-CG 3.32Å; Q48-D52 PolarHBondContact O-N 2.94Å; Q48-Y78 VanDerWaalsContact C-OH 3.31Å |
| 49 | F | 84.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 176.7 | 173.6 | -92 | 0 | 0 | 0 | 113 | L35 L39 P45 I46 K51 D52 F53 I68 I70 Y78 L80 | L35-F49 HydrophobicContact CD1-CE1 4.37Å; L39-F49 HydrophobicContact CD1-CD1 3.6Å; L39-F49 HydrophobicContact CD1-CE1 3.92Å; L39-F49 HydrophobicContact CD1-CG 4.04Å; P45-F49 PolarHBondContact O-N 3.06Å; P45-F49 VanDerWaalsContact O-N 3.1Å; I46-F49 PolarHBondContact O-N 3.24Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 3.4Å; F49-D52 PolarHBondContact O-N 2.89Å; F49-F53 HydrophobicContact CE1-CB 4.47Å; F49-F53 HydrophobicContact CZ-CB 4.41Å; F49-F53 VanDerWaalsContact O-CB 3.26Å; F49-F53 WeakPolarHBondContact O-CB 3.38Å; F49-F53 PolarHBondContact O-N 3.34Å; F49-I68 HydrophobicContact CE1-CD1 4.39Å; F49-I68 HydrophobicContact CE2-CD1 4.28Å; F49-I68 HydrophobicContact CZ-CD1 3.5Å; F49-I68 VanDerWaalsContact CZ-CD1 3.5Å; F49-I70 HydrophobicContact CD2-CD1 4.17Å; F49-I70 HydrophobicContact CE2-CD1 3.45Å; F49-I70 VanDerWaalsContact CE2-CD1 3.45Å; F49-I70 HydrophobicContact CE2-CG1 3.93Å; F49-I70 HydrophobicContact CZ-CD1 3.81Å; F49-Y78 WeakPolarHBondContact CA-OH 3.34Å; F49-Y78 HydrophobicContact CD2-CD2 4.33Å; F49-Y78 HydrophobicContact CD2-CE2 4.06Å; F49-Y78 PolarHBondContact N-OH 3.25Å; F49-L80 HydrophobicContact CE2-CD1 3.91Å; F49-L80 HydrophobicContact CE2-CD2 4.14Å; F49-L80 HydrophobicContact CE2-CG 4.49Å; F49-L80 HydrophobicContact CZ-CD1 4.47Å |
| 50 | C | 84.9 | Confident | 82 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 179 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | A29 I46 Q48 N54 | A29-C50 HydrophobicContact CB-CB 4.26Å; I46-C50 PolarHBondContact O-N 3.35Å; I46-C50 PolarHBondContact O-SG 3.04Å; I46-C50 VanDerWaalsContact O-SG 3.34Å; Q48-C50 PolarHBondContact O-N 3.11Å; C50-N54 VanDerWaalsContact O-CB 3.32Å; C50-N54 WeakPolarHBondContact O-CB 3.44Å; C50-N54 PolarHBondContact O-N 3.33Å; C50-N54 PolarHBondContact O-ND2 3.14Å |
| 51 | K | 85.6 | Confident | 81.6 | Confident | 143 Ų | 143 | 77.6 Ų | 77.6 | 62% | 0.622 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68 | -51.3 | 176.6 | -71.2 | 179.2 | -178.6 | -173.5 | 0 | 111.4 | G47 Q48 F49 F53 N54 E55 | G47-K51 WeakPolarHBondContact O-CG 3.37Å; G47-K51 PolarHBondContact O-N 3.34Å; Q48-K51 PolarHBondContact O-N 2.65Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 3.4Å; K51-F53 VanDerWaalsContact C-N 3.28Å; K51-F53 PolarHBondContact O-N 2.95Å; K51-N54 PolarHBondContact O-N 2.99Å; K51-E55 WeakPolarHBondContact O-CB 3.42Å; K51-E55 WeakPolarHBondContact O-CG 3.37Å; K51-E55 PolarHBondContact O-N 3.49Å |
| 52 | D | 87.1 | Confident | 81.2 | Confident | 57 Ų | 57 | 77 Ų | 77 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 179 | -67.1 | -0.4 | 0 | 0 | 0 | 111.9 | Q48 F49 K56 Y78 | Q48-D52 VanDerWaalsContact O-CG 3.32Å; Q48-D52 PolarHBondContact O-N 2.94Å; F49-D52 PolarHBondContact O-N 2.89Å; D52-K56 WeakPolarHBondContact O-CB 3.26Å; D52-K56 VanDerWaalsContact O-CG 3.31Å; D52-K56 WeakPolarHBondContact O-CG 3.39Å; D52-K56 PolarHBondContact O-N 2.94Å; D52-Y78 PolarHBondContact OD2-OH 3.03Å |
| 53 | F | 86.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 177.3 | 179.1 | -92.1 | 0 | 0 | 0 | 111.4 | V24 A29 F49 K51 E55 K56 T57 I68 L80 I82 | V24-F53 HydrophobicContact CB-CE1 4.11Å; V24-F53 HydrophobicContact CB-CE2 4.24Å; V24-F53 HydrophobicContact CB-CZ 3.71Å; V24-F53 HydrophobicContact CG1-CD1 4.24Å; V24-F53 HydrophobicContact CG1-CE1 3.56Å; V24-F53 HydrophobicContact CG1-CZ 3.71Å; A29-F53 HydrophobicContact CB-CB 4.45Å; A29-F53 HydrophobicContact CB-CD1 3.49Å; A29-F53 VanDerWaalsContact CB-CD1 3.49Å; A29-F53 HydrophobicContact CB-CE1 4.1Å; A29-F53 HydrophobicContact CB-CG 4.28Å; F49-F53 HydrophobicContact CE1-CB 4.47Å; F49-F53 HydrophobicContact CZ-CB 4.41Å; F49-F53 VanDerWaalsContact O-CB 3.26Å; F49-F53 WeakPolarHBondContact O-CB 3.38Å; F49-F53 PolarHBondContact O-N 3.34Å; K51-F53 VanDerWaalsContact C-N 3.28Å; K51-F53 PolarHBondContact O-N 2.95Å; F53-E55 VanDerWaalsContact C-N 3.34Å; F53-E55 PolarHBondContact O-N 3.44Å; F53-K56 PolarHBondContact O-N 2.97Å; F53-T57 HydrophobicContact CD1-CG2 4.38Å; F53-T57 HydrophobicContact CD2-CG2 4.29Å; F53-T57 HydrophobicContact CE1-CG2 4.01Å; F53-T57 HydrophobicContact CE2-CG2 3.86Å; F53-T57 HydrophobicContact CZ-CG2 3.74Å; F53-T57 WeakPolarHBondContact O-CB 3.49Å; F53-T57 WeakPolarHBondContact O-CG2 3.02Å; F53-T57 PolarHBondContact O-N 2.86Å; F53-T57 PolarHBondContact O-OG1 3.17Å; F53-I68 HydrophobicContact CD2-CG2 3.94Å; F53-I68 HydrophobicContact CE2-CG2 3.46Å; F53-I68 VanDerWaalsContact CE2-CG2 3.46Å; F53-L80 HydrophobicContact CB-CD2 4.16Å; F53-L80 HydrophobicContact CD2-CD2 4.25Å; F53-I82 HydrophobicContact CD2-CD1 4.16Å; F53-I82 HydrophobicContact CD2-CG1 4.47Å; F53-I82 HydrophobicContact CE2-CD1 4.34Å; F53-I82 HydrophobicContact CE2-CG1 4.48Å |
| 54 | N | 85.1 | Confident | 81.4 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 24% | 0.235 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 178.5 | -73.3 | -18 | 0 | 0 | 0 | 110.5 | A29 C50 K51 T57 K58 | A29-N54 WeakPolarHBondContact CB-OD1 2.98Å; A29-N54 PolarHBondContact N-OD1 3.32Å; C50-N54 VanDerWaalsContact O-CB 3.32Å; C50-N54 WeakPolarHBondContact O-CB 3.44Å; C50-N54 PolarHBondContact O-N 3.33Å; C50-N54 PolarHBondContact O-ND2 3.14Å; K51-N54 PolarHBondContact O-N 2.99Å; N54-T57 CarbonylContact O-C 3.5Å; N54-T57 PolarHBondContact O-N 3.14Å; N54-T57 PolarHBondContact O-OG1 3.37Å; N54-K58 WeakPolarHBondContact O-CG 3.43Å; N54-K58 PolarHBondContact O-N 3.11Å |
| 55 | E | 86.6 | Confident | 81.5 | Confident | 117 Ų | 117 | 74.8 Ų | 74.8 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 174.7 | -77 | 178.5 | -173.3 | 0 | 0 | 113.3 | K51 F53 T57 K58 | K51-E55 WeakPolarHBondContact O-CB 3.42Å; K51-E55 WeakPolarHBondContact O-CG 3.37Å; K51-E55 PolarHBondContact O-N 3.49Å; F53-E55 VanDerWaalsContact C-N 3.34Å; F53-E55 PolarHBondContact O-N 3.44Å; E55-T57 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 2.91Å |
| 56 | K | 82.8 | Confident | 81.6 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.5 | -19.1 | 177.9 | -70.1 | 175.4 | 178.6 | 177 | 0 | 113.6 | D52 F53 L80 I82 | D52-K56 WeakPolarHBondContact O-CB 3.26Å; D52-K56 VanDerWaalsContact O-CG 3.31Å; D52-K56 WeakPolarHBondContact O-CG 3.39Å; D52-K56 PolarHBondContact O-N 2.94Å; F53-K56 PolarHBondContact O-N 2.97Å; K56-L80 HydrophobicContact CD-CD2 4.19Å; K56-I82 HydrophobicContact CB-CD1 3.51Å; K56-I82 HydrophobicContact CD-CD1 3.91Å; K56-I82 HydrophobicContact CG-CD1 4.36Å |
| 57 | T | 82.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -105.5 | 2 | -179.1 | 59.2 | 0 | 0 | 0 | 0 | 114 | G27 F53 N54 E55 E59 L60 L66 I82 | G27-T57 PolarHBondContact N-OG1 3.05Å; F53-T57 HydrophobicContact CD1-CG2 4.38Å; F53-T57 HydrophobicContact CD2-CG2 4.29Å; F53-T57 HydrophobicContact CE1-CG2 4.01Å; F53-T57 HydrophobicContact CE2-CG2 3.86Å; F53-T57 HydrophobicContact CZ-CG2 3.74Å; F53-T57 WeakPolarHBondContact O-CB 3.49Å; F53-T57 WeakPolarHBondContact O-CG2 3.02Å; F53-T57 PolarHBondContact O-N 2.86Å; F53-T57 PolarHBondContact O-OG1 3.17Å; N54-T57 CarbonylContact O-C 3.5Å; N54-T57 PolarHBondContact O-N 3.14Å; N54-T57 PolarHBondContact O-OG1 3.37Å; E55-T57 PolarHBondContact O-N 2.94Å; T57-E59 PolarHBondContact O-N 3.21Å; T57-L60 PolarHBondContact O-N 3.25Å; T57-L60 VanDerWaalsContact O-N 3.09Å; T57-L66 HydrophobicContact CG2-CD1 3.58Å; T57-I82 HydrophobicContact CG2-CD1 4.03Å |
| 58 | K | 77.8 | Confident | 82 | Confident | 151 Ų | 151 | 69.7 Ų | 69.7 | 66% | 0.657 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.9 | 178.6 | -64.1 | -173.8 | 179.6 | 163.9 | 0 | 113.1 | N54 E55 L60 | N54-K58 WeakPolarHBondContact O-CG 3.43Å; N54-K58 PolarHBondContact O-N 3.11Å; E55-K58 PolarHBondContact O-N 2.91Å; K58-L60 VanDerWaalsContact C-N 3.28Å |
| 59 | E | 75.6 | Confident | 82.1 | Confident | 188 Ų | 188 | 67.5 Ų | 67.5 | 88% | 0.879 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -17.8 | -179.1 | -62.2 | 178.9 | -176.5 | 0 | 0 | 112.6 | T57 | T57-E59 PolarHBondContact O-N 3.21Š|
| 60 | L | 73.2 | Confident | 82.1 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 37% | 0.372 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -93.9 | 140.9 | 179.3 | -62.7 | 174.2 | 0 | 0 | 0 | 109.5 | T57 K58 E62 L66 | T57-L60 PolarHBondContact O-N 3.25Å; T57-L60 VanDerWaalsContact O-N 3.09Å; K58-L60 VanDerWaalsContact C-N 3.28Å; L60-E62 PolarHBondContact O-N 3.49Å; L60-L66 HydrophobicContact CD1-CD1 3.67Å; L60-L66 HydrophobicContact CD1-CD2 4.27Å |
| 61 | K | 71.9 | Confident | 82.1 | Confident | 176 Ų | 176 | 70 Ų | 70 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 136.8 | 176.4 | -64.6 | -178.4 | 177.4 | -178.8 | 0 | 110.4 | S26 I64 | S26-K61 PolarHBondContact OG-O 2.97Å; K61-I64 HydrophobicContact CB-CD1 3.94Å; K61-I64 HydrophobicContact CB-CG1 4.49Å; K61-I64 WeakPolarHBondContact O-CG1 3.37Å |
| 62 | E | 73.4 | Confident | 82 | Confident | 158 Ų | 158 | 63.9 Ų | 63.9 | 74% | 0.738 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 144.1 | -178 | -61.5 | -177.3 | 175.2 | 0 | 0 | 111.6 | L60 | L60-E62 PolarHBondContact O-N 3.49Š|
| 63 | G | 74.9 | Confident | 81.8 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -1.3 | 175 | 0 | 0 | 0 | 0 | 0 | 116.1 | S26 | S26-G63 PolarHBondContact O-N 2.85Å; S26-G63 PolarHBondContact OG-N 3.4Å; S26-G63 VanDerWaalsContact OG-N 3.11Å |
| 64 | I | 82.2 | Confident | 81.4 | Confident | 22 Ų | 22 | 69 Ų | 69 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | trans | -73.4 | 126.8 | 175.6 | -61.1 | 178.1 | 0 | 0 | 0 | 109.7 | R25 S26 K61 L66 P85 Y89 | R25-I64 WeakPolarHBondContact CA-O 3.45Å; S26-I64 PolarHBondContact N-O 3.44Å; S26-I64 PolarHBondContact OG-N 3.06Å; S26-I64 PolarHBondContact OG-O 3.48Å; K61-I64 HydrophobicContact CB-CD1 3.94Å; K61-I64 HydrophobicContact CB-CG1 4.49Å; K61-I64 WeakPolarHBondContact O-CG1 3.37Å; I64-L66 HydrophobicContact CG2-CD2 4.2Å; I64-L66 HydrophobicContact CG2-CG 4.49Å; I64-L66 PolarHBondContact O-N 2.79Å; I64-P85 HydrophobicContact CG2-CB 3.53Å; I64-P85 HydrophobicContact CG2-CG 3.51Å; I64-Y89 HydrophobicContact CB-CE1 4.29Å; I64-Y89 HydrophobicContact CD1-CE1 4.27Å; I64-Y89 HydrophobicContact CG1-CE1 3.78Å; I64-Y89 HydrophobicContact CG2-CD1 3.94Å; I64-Y89 HydrophobicContact CG2-CE1 3.86Å | ||
| 65 | P | 84.6 | Confident | 81.2 | Confident | 27 Ų | 27 | 73 Ų | 73 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 109.2 | 176.1 | 29.6 | -32.9 | 0 | 0 | 0 | 110.7 | I23 T86 Y89 | I23-P65 HydrophobicContact CG2-CB 3.79Å; P65-T86 PolarHBondContact O-N 3.1Å; P65-Y89 HydrophobicContact CG-CD2 3.77Å; P65-Y89 HydrophobicContact CG-CG 3.89Å |
| 66 | L | 85.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.6 | 179 | -64 | 171.5 | 0 | 0 | 0 | 110.2 | V24 T57 L60 I64 I82 P85 | V24-L66 PolarHBondContact N-O 3.22Å; V24-L66 PolarHBondContact O-N 3.38Å; T57-L66 HydrophobicContact CG2-CD1 3.58Å; L60-L66 HydrophobicContact CD1-CD1 3.67Å; L60-L66 HydrophobicContact CD1-CD2 4.27Å; I64-L66 HydrophobicContact CG2-CD2 4.2Å; I64-L66 HydrophobicContact CG2-CG 4.49Å; I64-L66 PolarHBondContact O-N 2.79Å; L66-I82 HydrophobicContact CB-CG2 4.31Å; L66-I82 HydrophobicContact CD1-CG2 4.09Å; L66-P85 HydrophobicContact CD2-CB 4.22Å; L66-P85 HydrophobicContact CD2-CG 3.65Å |
| 67 | P | 86.8 | Confident | 80.5 | Confident | 37 Ų | 37 | 74 Ų | 74 | 24% | 0.24 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 126.9 | 170.1 | 30.6 | -31.1 | 0 | 0 | 0 | 109.6 | G83 Q84 | P67-G83 PolarHBondContact O-N 3Å; P67-Q84 WeakPolarHBondContact CD-O 3.31Å; P67-Q84 VanDerWaalsContact CG-O 3.28Å; P67-Q84 WeakPolarHBondContact CG-O 3.18Å |
| 68 | I | 86.1 | Confident | 80.5 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 141.3 | 175.2 | 55.9 | 168.9 | 0 | 0 | 0 | 110.6 | R21 A22 V24 F49 F53 I70 L80 I82 | R21-I68 WeakPolarHBondContact CA-O 3.17Å; A22-I68 HydrophobicContact CB-CD1 4.01Å; A22-I68 HydrophobicContact CB-CG1 3.86Å; A22-I68 PolarHBondContact N-O 3.43Å; A22-I68 WeakPolarHBondContact O-CG1 3.07Å; A22-I68 PolarHBondContact O-N 3.03Å; V24-I68 HydrophobicContact CG2-CD1 3.52Å; V24-I68 HydrophobicContact CG2-CG1 4.04Å; F49-I68 HydrophobicContact CE1-CD1 4.39Å; F49-I68 HydrophobicContact CE2-CD1 4.28Å; F49-I68 HydrophobicContact CZ-CD1 3.5Å; F49-I68 VanDerWaalsContact CZ-CD1 3.5Å; F53-I68 HydrophobicContact CD2-CG2 3.94Å; F53-I68 HydrophobicContact CE2-CG2 3.46Å; F53-I68 VanDerWaalsContact CE2-CG2 3.46Å; I68-I70 HydrophobicContact CD1-CD1 3.98Å; I68-I70 HydrophobicContact CD1-CG1 4.26Å; I68-L80 HydrophobicContact CB-CD1 4.03Å; I68-L80 HydrophobicContact CG2-CD1 4.04Å; I68-I82 HydrophobicContact CG2-CG1 4.22Å |
| 69 | K | 86.1 | Confident | 80.8 | Confident | 73 Ų | 73 | 71.6 Ų | 71.6 | 32% | 0.317 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.4 | 168 | -67.3 | 176.3 | -174.5 | 167.4 | 0 | 107.7 | I20 K81 | I20-K69 WeakPolarHBondContact O-CA 3.46Å; K69-K81 HydrophobicContact CB-CB 4.41Å; K69-K81 PolarHBondContact N-O 2.92Å; K69-K81 PolarHBondContact O-N 3.45Å |
| 70 | I | 85.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.8 | 178 | -51.5 | 169.8 | 0 | 0 | 0 | 107 | V19 I20 L39 I44 F49 I68 V72 L80 | V19-I70 CarbonylContact C-O 3.51Å; V19-I70 WeakPolarHBondContact CA-O 3.46Å; I20-I70 HydrophobicContact CB-CB 4.16Å; I20-I70 HydrophobicContact CB-CD1 4.45Å; I20-I70 PolarHBondContact N-O 2.98Å; I20-I70 PolarHBondContact O-N 2.88Å; L39-I70 HydrophobicContact CD2-CD1 3.4Å; L39-I70 VanDerWaalsContact CD2-CD1 3.4Å; I44-I70 HydrophobicContact CD1-CG2 4.01Å; F49-I70 HydrophobicContact CD2-CD1 4.17Å; F49-I70 HydrophobicContact CE2-CD1 3.45Å; F49-I70 VanDerWaalsContact CE2-CD1 3.45Å; F49-I70 HydrophobicContact CE2-CG1 3.93Å; F49-I70 HydrophobicContact CZ-CD1 3.81Å; I68-I70 HydrophobicContact CD1-CD1 3.98Å; I68-I70 HydrophobicContact CD1-CG1 4.26Å; I70-V72 HydrophobicContact CG2-CG2 4.36Å; I70-L80 HydrophobicContact CG1-CD1 4.28Å |
| 71 | H | 85.2 | Confident | 81.8 | Confident | 62 Ų | 62 | 64.2 Ų | 64.2 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.5 | 173 | -66.7 | -87.5 | 0 | 0 | 0 | 108.9 | V19 Y78 D79 | V19-H71 WeakPolarHBondContact CG2-ND1 3.29Å; H71-Y78 CarbonylContact O-C 3.59Å; H71-Y78 WeakPolarHBondContact O-CA 3.17Å; H71-D79 HydrophobicContact CB-CB 4.27Å; H71-D79 PolarHBondContact N-O 3.2Å; H71-D79 PolarHBondContact O-N 3.48Å |
| 72 | V | 83.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.9 | -179.2 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | N18 I20 I44 I70 | N18-V72 HydrophobicContact CB-CB 4.02Å; N18-V72 VanDerWaalsContact CB-O 3.29Å; N18-V72 WeakPolarHBondContact CB-O 3.43Å; N18-V72 PolarHBondContact ND2-O 3.1Å; N18-V72 PolarHBondContact O-N 3.46Å; I20-V72 HydrophobicContact CD1-CG2 4.1Å; I20-V72 HydrophobicContact CG1-CG2 4.45Å; I44-V72 HydrophobicContact CD1-CG2 3.53Å; I44-V72 HydrophobicContact CG1-CG1 4.39Å; I44-V72 HydrophobicContact CG1-CG2 4.24Å; I70-V72 HydrophobicContact CG2-CG2 4.36Å |
| 73 | K | 82.4 | Confident | 82.9 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 157.1 | 173.7 | -71.7 | 171.4 | -179.6 | 150.8 | 0 | 110 | D75 R76 T77 D79 | K73-D75 PolarHBondContact O-N 3.33Å; K73-D75 VanDerWaalsContact O-N 3.14Å; K73-R76 PolarHBondContact O-N 3.04Å; K73-T77 WeakPolarHBondContact CB-OG1 3.5Å; K73-T77 WeakPolarHBondContact CD-OG1 3.32Å; K73-T77 PolarHBondContact N-O 2.91Å; K73-D79 WeakPolarHBondContact CE-OD2 3.42Å; K73-D79 IonicContact NZ-OD1 2.97Å; K73-D79 PolarHBondContact NZ-OD1 3.35Å; K73-D79 IonicContact NZ-OD2 3.66Å; K73-D79 PolarHBondContact NZ-OD2 3.16Å |
| 74 | P | 78.5 | Confident | 83.4 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 58% | 0.584 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.5 | 176.3 | 24 | -34.9 | 0 | 0 | 0 | 112.9 | R76 | P74-R76 PolarHBondContact O-N 3.11Š|
| 75 | D | 80.8 | Confident | 83.6 | Confident | 127 Ų | 127 | 52.1 Ų | 52.1 | 68% | 0.679 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 12.8 | 177.9 | -48.7 | -47.5 | 0 | 0 | 0 | 113.4 | K73 T77 | K73-D75 PolarHBondContact O-N 3.33Å; K73-D75 VanDerWaalsContact O-N 3.14Å; D75-T77 PolarHBondContact O-N 3.05Å |
| 76 | R | 74.6 | Confident | 83.7 | Confident | 183 Ų | 183 | 52.3 Ų | 52.3 | 69% | 0.691 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 62.2 | 7.7 | -175.6 | -52.4 | 177.7 | -178.9 | -179.7 | -0.8 | 114.9 | K73 P74 | K73-R76 PolarHBondContact O-N 3.04Å; P74-R76 PolarHBondContact O-N 3.11Å |
| 77 | T | 79.9 | Confident | 83.7 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | trans | -76.7 | 149.8 | 169.1 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | K73 D75 | K73-T77 WeakPolarHBondContact CB-OG1 3.5Å; K73-T77 WeakPolarHBondContact CD-OG1 3.32Å; K73-T77 PolarHBondContact N-O 2.91Å; D75-T77 PolarHBondContact O-N 3.05Å | ||
| 78 | Y | 82.6 | Confident | 83.7 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 14% | 0.137 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 140 | -178.6 | 64.3 | -88.5 | 0 | 0 | 0 | 111.7 | I44 P45 Q48 F49 D52 H71 L80 | I44-Y78 HydrophobicContact CG2-CD1 3.58Å; I44-Y78 HydrophobicContact CG2-CE1 4.03Å; I44-Y78 HydrophobicContact CG2-CG 4.11Å; P45-Y78 HydrophobicContact CG-CE1 4.16Å; Q48-Y78 VanDerWaalsContact C-OH 3.31Å; F49-Y78 WeakPolarHBondContact CA-OH 3.34Å; F49-Y78 HydrophobicContact CD2-CD2 4.33Å; F49-Y78 HydrophobicContact CD2-CE2 4.06Å; F49-Y78 PolarHBondContact N-OH 3.25Å; D52-Y78 PolarHBondContact OD2-OH 3.03Å; H71-Y78 CarbonylContact O-C 3.59Å; H71-Y78 WeakPolarHBondContact O-CA 3.17Å; Y78-L80 HydrophobicContact CD2-CB 4.28Å; Y78-L80 HydrophobicContact CE2-CB 4.42Å |
| 79 | D | 84 | Confident | 83.8 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.4 | 166.2 | -58.4 | -35.3 | 0 | 0 | 0 | 108.6 | H71 K73 | H71-D79 HydrophobicContact CB-CB 4.27Å; H71-D79 PolarHBondContact N-O 3.2Å; H71-D79 PolarHBondContact O-N 3.48Å; K73-D79 WeakPolarHBondContact CE-OD2 3.42Å; K73-D79 IonicContact NZ-OD1 2.97Å; K73-D79 PolarHBondContact NZ-OD1 3.35Å; K73-D79 IonicContact NZ-OD2 3.66Å; K73-D79 PolarHBondContact NZ-OD2 3.16Å |
| 80 | L | 84.6 | Confident | 83.9 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 115.2 | 177.1 | 172.5 | 58.2 | 0 | 0 | 0 | 110.4 | F49 F53 K56 I68 I70 Y78 I82 | F49-L80 HydrophobicContact CE2-CD1 3.91Å; F49-L80 HydrophobicContact CE2-CD2 4.14Å; F49-L80 HydrophobicContact CE2-CG 4.49Å; F49-L80 HydrophobicContact CZ-CD1 4.47Å; F53-L80 HydrophobicContact CB-CD2 4.16Å; F53-L80 HydrophobicContact CD2-CD2 4.25Å; K56-L80 HydrophobicContact CD-CD2 4.19Å; I68-L80 HydrophobicContact CB-CD1 4.03Å; I68-L80 HydrophobicContact CG2-CD1 4.04Å; I70-L80 HydrophobicContact CG1-CD1 4.28Å; Y78-L80 HydrophobicContact CD2-CB 4.28Å; Y78-L80 HydrophobicContact CE2-CB 4.42Å; L80-I82 HydrophobicContact CD1-CG1 4.11Å; L80-I82 HydrophobicContact CD2-CD1 4.28Å; L80-I82 HydrophobicContact CD2-CG1 4.33Å; L80-I82 HydrophobicContact CG-CD1 4.48Å; L80-I82 HydrophobicContact CG-CG1 4.04Å |
| 81 | K | 85.4 | Confident | 84 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.9 | 169.2 | -63.7 | -177 | 170.6 | -163.9 | 0 | 110 | K69 E128 | K69-K81 HydrophobicContact CB-CB 4.41Å; K69-K81 PolarHBondContact N-O 2.92Å; K69-K81 PolarHBondContact O-N 3.45Å; K81-E128 WeakPolarHBondContact CD-OE2 3.27Å; K81-E128 IonicContact NZ-OE2 3.64Å |
| 82 | I | 85.7 | Confident | 84 | Confident | 49 Ų | 49 | 55.8 Ų | 55.8 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.3 | 179.4 | -58.6 | 172 | 0 | 0 | 0 | 107.5 | F53 K56 T57 L66 I68 L80 | F53-I82 HydrophobicContact CD2-CD1 4.16Å; F53-I82 HydrophobicContact CD2-CG1 4.47Å; F53-I82 HydrophobicContact CE2-CD1 4.34Å; F53-I82 HydrophobicContact CE2-CG1 4.48Å; K56-I82 HydrophobicContact CB-CD1 3.51Å; K56-I82 HydrophobicContact CD-CD1 3.91Å; K56-I82 HydrophobicContact CG-CD1 4.36Å; T57-I82 HydrophobicContact CG2-CD1 4.03Å; L66-I82 HydrophobicContact CB-CG2 4.31Å; L66-I82 HydrophobicContact CD1-CG2 4.09Å; I68-I82 HydrophobicContact CG2-CG1 4.22Å; L80-I82 HydrophobicContact CD1-CG1 4.11Å; L80-I82 HydrophobicContact CD2-CD1 4.28Å; L80-I82 HydrophobicContact CD2-CG1 4.33Å; L80-I82 HydrophobicContact CG-CD1 4.48Å; L80-I82 HydrophobicContact CG-CG1 4.04Å |
| 83 | G | 82.3 | Confident | 84.1 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 166.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P67 | P67-G83 PolarHBondContact O-N 3Š|
| 84 | Q | 84.9 | Confident | 84.3 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -63 | 157.3 | 172.4 | -69.9 | -64.5 | -20.1 | 0 | 0 | 111.1 | P67 K124 D127 | P67-Q84 WeakPolarHBondContact CD-O 3.31Å; P67-Q84 VanDerWaalsContact CG-O 3.28Å; P67-Q84 WeakPolarHBondContact CG-O 3.18Å; Q84-K124 HydrophobicContact CB-CD 3.89Å; Q84-K124 PolarHBondContact O-NZ 3.47Å; Q84-D127 HydrophobicContact CB-CB 4.23Å; Q84-D127 HydrophobicContact CG-CB 4.09Å; Q84-D127 PolarHBondContact N-OD2 3.1Å |
| 85 | P | 85.9 | Confident | 84.5 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.045 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 156.1 | 179.8 | -23.6 | 30.4 | 0 | 0 | 0 | 113.9 | I64 L66 Y89 F90 K124 | I64-P85 HydrophobicContact CG2-CB 3.53Å; I64-P85 HydrophobicContact CG2-CG 3.51Å; L66-P85 HydrophobicContact CD2-CB 4.22Å; L66-P85 HydrophobicContact CD2-CG 3.65Å; P85-Y89 HydrophobicContact CB-CD1 4.42Å; P85-F90 HydrophobicContact CB-CD2 4.25Å; P85-F90 HydrophobicContact CB-CE1 4.33Å; P85-F90 HydrophobicContact CB-CE2 3.6Å; P85-F90 HydrophobicContact CB-CZ 3.65Å; P85-F90 HydrophobicContact CG-CE1 4.25Å; P85-F90 HydrophobicContact CG-CE2 3.94Å; P85-F90 HydrophobicContact CG-CZ 3.52Å; P85-F90 WeakPolarHBondContact O-CE2 3.48Å; P85-K124 WeakPolarHBondContact O-CE 3.45Å; P85-K124 PolarHBondContact O-NZ 2.84Å |
| 86 | T | 86.6 | Confident | 84.5 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 142.9 | 178 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | P65 S88 Y89 F90 | P65-T86 PolarHBondContact O-N 3.1Å; T86-S88 PolarHBondContact O-N 3.2Å; T86-Y89 WeakPolarHBondContact O-CB 3.43Å; T86-Y89 PolarHBondContact O-N 3.37Å; T86-Y89 WeakPolarHBondContact OG1-CB 3.19Å; T86-Y89 PolarHBondContact OG1-N 2.95Å; T86-F90 PolarHBondContact O-N 2.99Å |
| 87 | V | 86.6 | Confident | 84.8 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.7 | -35.8 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | Y89 F90 L91 K124 I144 | V87-Y89 VanDerWaalsContact C-N 3.28Å; V87-Y89 PolarHBondContact O-N 2.84Å; V87-F90 PolarHBondContact O-N 2.84Å; V87-L91 HydrophobicContact CG1-CD1 3.72Å; V87-L91 HydrophobicContact CG1-CG 4.07Å; V87-L91 WeakPolarHBondContact O-CB 3.43Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 3.22Å; V87-K124 HydrophobicContact CG2-CG 4.24Å; V87-I144 HydrophobicContact CG1-CB 4.38Å; V87-I144 HydrophobicContact CG1-CG1 4.06Å; V87-I144 HydrophobicContact CG1-CG2 3.96Å |
| 88 | S | 86.2 | Confident | 84.7 | Confident | 52 Ų | 52 | 45.8 Ų | 45.8 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | 175.4 | -49.1 | 0 | 0 | 0 | 0 | 113 | T86 K92 | T86-S88 PolarHBondContact O-N 3.2Å; S88-K92 VanDerWaalsContact O-CB 3.25Å; S88-K92 WeakPolarHBondContact O-CB 3.45Å; S88-K92 WeakPolarHBondContact O-CD 3.21Å; S88-K92 WeakPolarHBondContact O-CG 3.42Å; S88-K92 PolarHBondContact O-N 3.16Å; S88-K92 VanDerWaalsContact O-N 3.07Å |
| 89 | Y | 88.2 | Confident | 84.5 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 26% | 0.255 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.8 | -45.8 | 175.3 | -179.3 | -97.4 | 0 | 0 | 0 | 111.5 | I64 P65 P85 T86 V87 L91 K92 Q93 | I64-Y89 HydrophobicContact CB-CE1 4.29Å; I64-Y89 HydrophobicContact CD1-CE1 4.27Å; I64-Y89 HydrophobicContact CG1-CE1 3.78Å; I64-Y89 HydrophobicContact CG2-CD1 3.94Å; I64-Y89 HydrophobicContact CG2-CE1 3.86Å; P65-Y89 HydrophobicContact CG-CD2 3.77Å; P65-Y89 HydrophobicContact CG-CG 3.89Å; P85-Y89 HydrophobicContact CB-CD1 4.42Å; T86-Y89 WeakPolarHBondContact O-CB 3.43Å; T86-Y89 PolarHBondContact O-N 3.37Å; T86-Y89 WeakPolarHBondContact OG1-CB 3.19Å; T86-Y89 PolarHBondContact OG1-N 2.95Å; V87-Y89 VanDerWaalsContact C-N 3.28Å; V87-Y89 PolarHBondContact O-N 2.84Å; Y89-L91 PolarHBondContact O-N 3.38Å; Y89-K92 PolarHBondContact O-N 3.19Å; Y89-Q93 WeakPolarHBondContact O-CB 3.46Å; Y89-Q93 PolarHBondContact O-N 3.02Å |
| 90 | F | 87.9 | Confident | 84.3 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 177.8 | -74.5 | -57.3 | 0 | 0 | 0 | 112.8 | P85 T86 V87 Q93 A94 I120 V123 | P85-F90 HydrophobicContact CB-CD2 4.25Å; P85-F90 HydrophobicContact CB-CE1 4.33Å; P85-F90 HydrophobicContact CB-CE2 3.6Å; P85-F90 HydrophobicContact CB-CZ 3.65Å; P85-F90 HydrophobicContact CG-CE1 4.25Å; P85-F90 HydrophobicContact CG-CE2 3.94Å; P85-F90 HydrophobicContact CG-CZ 3.52Å; P85-F90 WeakPolarHBondContact O-CE2 3.48Å; T86-F90 PolarHBondContact O-N 2.99Å; V87-F90 PolarHBondContact O-N 2.84Å; F90-Q93 PolarHBondContact O-N 3.27Å; F90-A94 WeakPolarHBondContact O-CB 3.35Å; F90-A94 PolarHBondContact O-N 3.16Å; F90-I120 HydrophobicContact CB-CD1 4.06Å; F90-I120 HydrophobicContact CB-CG1 4.08Å; F90-I120 HydrophobicContact CB-CG2 3.64Å; F90-I120 HydrophobicContact CD2-CG2 4.07Å; F90-I120 HydrophobicContact CG-CG2 3.96Å; F90-V123 HydrophobicContact CZ-CG1 3.99Å |
| 91 | L | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68 | -38.5 | 178.5 | -69.7 | 173.6 | 0 | 0 | 0 | 112.2 | V87 Y89 A94 A95 I120 I144 A148 L151 I153 | V87-L91 HydrophobicContact CG1-CD1 3.72Å; V87-L91 HydrophobicContact CG1-CG 4.07Å; V87-L91 WeakPolarHBondContact O-CB 3.43Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 3.22Å; Y89-L91 PolarHBondContact O-N 3.38Å; L91-A94 PolarHBondContact O-N 2.99Å; L91-A95 VanDerWaalsContact O-CB 3.3Å; L91-A95 WeakPolarHBondContact O-CB 3.1Å; L91-A95 PolarHBondContact O-N 3.34Å; L91-I120 HydrophobicContact CD2-CD1 4.22Å; L91-I144 HydrophobicContact CD1-CG2 4.44Å; L91-I144 HydrophobicContact CD2-CG2 4Å; L91-I144 HydrophobicContact CG-CG2 4.46Å; L91-A148 HydrophobicContact CD1-CB 3.88Å; L91-A148 HydrophobicContact CD2-CB 4.23Å; L91-L151 HydrophobicContact CB-CD1 4.25Å; L91-L151 HydrophobicContact CD1-CD1 3.98Å; L91-I153 HydrophobicContact CB-CD1 3.78Å |
| 92 | K | 86.3 | Confident | 83.8 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174 | -79.1 | 178.1 | -178.6 | -168 | 0 | 112.2 | S88 Y89 A95 G96 I97 A98 | S88-K92 VanDerWaalsContact O-CB 3.25Å; S88-K92 WeakPolarHBondContact O-CB 3.45Å; S88-K92 WeakPolarHBondContact O-CD 3.21Å; S88-K92 WeakPolarHBondContact O-CG 3.42Å; S88-K92 PolarHBondContact O-N 3.16Å; S88-K92 VanDerWaalsContact O-N 3.07Å; Y89-K92 PolarHBondContact O-N 3.19Å; K92-A95 CarbonylContact O-C 3.55Å; K92-A95 PolarHBondContact O-N 3.39Å; K92-G96 CarbonylContact O-C 3.55Å; K92-G96 WeakPolarHBondContact O-CA 3.34Å; K92-G96 PolarHBondContact O-N 2.76Å; K92-I97 HydrophobicContact CB-CG1 4.31Å; K92-I97 WeakPolarHBondContact CB-O 3.21Å; K92-I97 HydrophobicContact CG-CG1 4.07Å; K92-I97 PolarHBondContact O-N 3.19Å; K92-A98 PolarHBondContact NZ-O 3.04Å |
| 93 | Q | 85.9 | Confident | 83.6 | Confident | 129 Ų | 129 | 57.7 Ų | 57.7 | 60% | 0.603 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.7 | -43.4 | 177.3 | -169 | 67.7 | 14.6 | 0 | 0 | 111.5 | Y89 F90 A95 G96 | Y89-Q93 WeakPolarHBondContact O-CB 3.46Å; Y89-Q93 PolarHBondContact O-N 3.02Å; F90-Q93 PolarHBondContact O-N 3.27Å; Q93-A95 VanDerWaalsContact C-N 3.29Å; Q93-A95 PolarHBondContact O-N 2.96Å; Q93-G96 PolarHBondContact O-N 2.9Å; Q93-G96 VanDerWaalsContact O-N 3.11Å |
| 94 | A | 85 | Confident | 83.5 | Confident | 47 Ų | 47 | 60.6 Ų | 60.6 | 39% | 0.388 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -33.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F90 L91 V112 I120 | F90-A94 WeakPolarHBondContact O-CB 3.35Å; F90-A94 PolarHBondContact O-N 3.16Å; L91-A94 PolarHBondContact O-N 2.99Å; A94-V112 HydrophobicContact CB-CG1 4.21Å; A94-V112 HydrophobicContact CB-CG2 4.28Å; A94-I120 HydrophobicContact CB-CD1 4.06Å |
| 95 | A | 82.9 | Confident | 83 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -3.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L91 K92 Q93 I97 V112 I153 Y164 | L91-A95 VanDerWaalsContact O-CB 3.3Å; L91-A95 WeakPolarHBondContact O-CB 3.1Å; L91-A95 PolarHBondContact O-N 3.34Å; K92-A95 CarbonylContact O-C 3.55Å; K92-A95 PolarHBondContact O-N 3.39Å; Q93-A95 VanDerWaalsContact C-N 3.29Å; Q93-A95 PolarHBondContact O-N 2.96Å; A95-I97 HydrophobicContact CB-CD1 4.24Å; A95-I97 HydrophobicContact CB-CG1 4.02Å; A95-I97 HydrophobicContact CB-CG2 4.22Å; A95-I97 WeakPolarHBondContact O-CG2 3.32Å; A95-I97 PolarHBondContact O-N 2.89Å; A95-I97 VanDerWaalsContact O-N 3.12Å; A95-V112 HydrophobicContact CB-CG2 3.82Å; A95-I153 HydrophobicContact CB-CD1 4.46Å; A95-Y164 WeakPolarHBondContact CA-OH 3.45Å; A95-Y164 PolarHBondContact O-OH 2.84Å |
| 96 | G | 80.5 | Confident | 82.6 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 63% | 0.629 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 24.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K92 Q93 | K92-G96 CarbonylContact O-C 3.55Å; K92-G96 WeakPolarHBondContact O-CA 3.34Å; K92-G96 PolarHBondContact O-N 2.76Å; Q93-G96 PolarHBondContact O-N 2.9Å; Q93-G96 VanDerWaalsContact O-N 3.11Å |
| 97 | I | 80.8 | Confident | 82.3 | Confident | 20 Ų | 20 | 70 Ų | 70 | 10% | 0.103 | 39% | 0.394 | C | S | . | . | trans | -103.8 | 137.6 | -177.7 | 64.7 | 177 | 0 | 0 | 0 | 112.1 | K92 A95 A109 I153 | K92-I97 HydrophobicContact CB-CG1 4.31Å; K92-I97 WeakPolarHBondContact CB-O 3.21Å; K92-I97 HydrophobicContact CG-CG1 4.07Å; K92-I97 PolarHBondContact O-N 3.19Å; A95-I97 HydrophobicContact CB-CD1 4.24Å; A95-I97 HydrophobicContact CB-CG1 4.02Å; A95-I97 HydrophobicContact CB-CG2 4.22Å; A95-I97 WeakPolarHBondContact O-CG2 3.32Å; A95-I97 PolarHBondContact O-N 2.89Å; A95-I97 VanDerWaalsContact O-N 3.12Å; I97-A109 HydrophobicContact CD1-CB 4Å; I97-A109 WeakPolarHBondContact CG2-O 3.5Å; I97-I153 HydrophobicContact CD1-CD1 3.96Å; I97-I153 HydrophobicContact CD1-CG1 3.98Å | ||
| 98 | A | 78.1 | Confident | 82 | Confident | 91 Ų | 91 | 71.8 Ų | 71.8 | 75% | 0.752 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -81.6 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K92 | K92-A98 PolarHBondContact NZ-O 3.04Š|
| 99 | K | 78.6 | Confident | 81.6 | Confident | 155 Ų | 155 | 69.3 Ų | 69.3 | 67% | 0.674 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -121.8 | 141.3 | -178.6 | -70.9 | -177.6 | -179.5 | 175.3 | 0 | 110.4 | ||
| 100 | G | 79.2 | Confident | 81.3 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | trans | -74.9 | -178.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 101 | A | 80.9 | Confident | 81.1 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | trans | -65 | 138.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T104 A109 L151 | A101-T104 HydrophobicContact CB-CG2 4.14Å; A101-A109 HydrophobicContact CB-CB 3.93Å; A101-L151 PolarHBondContact N-O 3.43Å | ||
| 102 | R | 79.6 | Confident | 81.1 | Confident | 177 Ų | 177 | 66.6 Ų | 66.6 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -76.7 | -35.6 | 174 | -165.8 | 176.4 | -176.2 | -177.1 | 0.4 | 111.3 | ||
| 103 | K | 80.8 | Confident | 81.3 | Confident | 134 Ų | 134 | 64.8 Ų | 64.8 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -122.3 | 86.8 | 173.1 | -67.1 | 179.2 | -176.8 | 174.3 | 0 | 109.5 | G105 H106 E107 | K103-G105 PolarHBondContact O-N 3.43Å; K103-H106 HydrophobicContact CB-CB 4.29Å; K103-H106 PolarHBondContact O-N 3.14Å; K103-E107 PolarHBondContact O-N 3Å; K103-E107 VanDerWaalsContact O-N 3.15Å |
| 104 | T | 79.8 | Confident | 81.4 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -57.5 | 126.1 | 177.9 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | A101 S150 | A101-T104 HydrophobicContact CB-CG2 4.14Å; T104-S150 WeakPolarHBondContact CG2-O 3.35Å |
| 105 | G | 75.3 | Confident | 81.5 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 79% | 0.794 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | -24.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K103 | K103-G105 PolarHBondContact O-N 3.43Š|
| 106 | H | 77.2 | Confident | 81.7 | Confident | 170 Ų | 170 | 67.1 Ų | 67.1 | 79% | 0.787 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -32 | 171.1 | -63.5 | -70.8 | 0 | 0 | 0 | 112.1 | K103 | K103-H106 HydrophobicContact CB-CB 4.29Å; K103-H106 PolarHBondContact O-N 3.14Å |
| 107 | E | 80.2 | Confident | 82.1 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 23% | 0.229 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -119.8 | 134.2 | 176.3 | -69.2 | 170 | -140.4 | 0 | 0 | 110.3 | K103 R171 | K103-E107 PolarHBondContact O-N 3Å; K103-E107 VanDerWaalsContact O-N 3.15Å; E107-R171 IonicContact OE2-CZ 2.76Å; E107-R171 IonicContact OE2-NH1 3.8Å; E107-R171 PolarHBondContact OE2-NH1 3.43Å; E107-R171 IonicContact OE2-NH2 3.55Å |
| 108 | T | 80 | Confident | 82.5 | Confident | 61 Ų | 61 | 68.2 Ų | 68.2 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | trans | -87.4 | 122.3 | 165.5 | 46.5 | 0 | 0 | 0 | 0 | 108.3 | G152 Q154 F167 | T108-G152 CarbonylContact C-O 3.56Å; T108-G152 WeakPolarHBondContact CA-O 3.4Å; T108-Q154 HydrophobicContact CG2-CB 4.42Å; T108-F167 WeakPolarHBondContact O-CZ 3.46Å | ||
| 109 | A | 79.1 | Confident | 83 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -87 | -30.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I97 A101 G152 | I97-A109 HydrophobicContact CD1-CB 4Å; I97-A109 WeakPolarHBondContact CG2-O 3.5Å; A101-A109 HydrophobicContact CB-CB 3.93Å; A109-G152 PolarHBondContact N-O 3.3Å | ||
| 110 | G | 81.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 166.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I153 Q154 | G110-I153 CarbonylContact O-C 3.57Å; G110-I153 VanDerWaalsContact O-CA 3.28Å; G110-I153 WeakPolarHBondContact O-CA 3.36Å; G110-Q154 PolarHBondContact O-N 3.46Å |
| 111 | M | 84.1 | Confident | 83.9 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 142.3 | 171 | -64.4 | -178.1 | 161.5 | 0 | 0 | 109.8 | Q154 V156 L159 Y164 | M111-Q154 CarbonylContact C-O 3.58Å; M111-Q154 VanDerWaalsContact CA-O 3.24Å; M111-Q154 WeakPolarHBondContact CA-O 3.35Å; M111-Q154 HydrophobicContact CG-CB 4.33Å; M111-V156 HydrophobicContact CB-CG2 4.34Å; M111-V156 HydrophobicContact CG-CG2 4.35Å; M111-V156 HydrophobicContact SD-CG2 4.13Å; M111-L159 HydrophobicContact CB-CD1 3.88Å; M111-L159 HydrophobicContact SD-CD1 4.25Å; M111-Y164 HydrophobicContact CB-CD2 4.33Å; M111-Y164 HydrophobicContact CB-CE2 3.94Å; M111-Y164 WeakPolarHBondContact O-CE2 3.32Å |
| 112 | V | 87.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.4 | 177.3 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | A94 A95 A116 V117 I153 Q154 V155 V156 | A94-V112 HydrophobicContact CB-CG1 4.21Å; A94-V112 HydrophobicContact CB-CG2 4.28Å; A95-V112 HydrophobicContact CB-CG2 3.82Å; V112-A116 HydrophobicContact CG1-CB 3.74Å; V112-V117 HydrophobicContact CG1-CG2 3.97Å; V112-I153 HydrophobicContact CB-CG2 4.07Å; V112-I153 HydrophobicContact CG2-CG2 3.51Å; V112-Q154 PolarHBondContact N-O 3.16Å; V112-V155 CarbonylContact O-C 3.59Å; V112-V155 VanDerWaalsContact O-CA 3.29Å; V112-V155 WeakPolarHBondContact O-CA 3.33Å; V112-V156 PolarHBondContact O-N 2.88Å |
| 113 | S | 89.5 | Confident | 84.4 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 151.8 | 177.5 | 68.5 | 0 | 0 | 0 | 0 | 112.2 | K115 A116 V117 V156 | S113-K115 PolarHBondContact O-N 3.28Å; S113-A116 PolarHBondContact O-N 2.95Å; S113-A116 VanDerWaalsContact O-N 3.16Å; S113-A116 PolarHBondContact OG-N 3.24Å; S113-V117 PolarHBondContact O-N 2.92Å; S113-V117 VanDerWaalsContact O-N 3.13Å; S113-V156 CarbonylContact C-O 3.57Å; S113-V156 VanDerWaalsContact CA-O 3.27Å; S113-V156 WeakPolarHBondContact CA-O 3.47Å |
| 114 | V | 88.1 | Confident | 84.5 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.1 | -33.4 | 174 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | V117 Y118 V155 V156 N157 | V114-V117 PolarHBondContact O-N 3.36Å; V114-Y118 PolarHBondContact O-N 3.26Å; V114-V155 HydrophobicContact CG2-CG1 3.75Å; V114-V156 PolarHBondContact N-O 2.85Å; V114-V156 VanDerWaalsContact N-O 3.08Å; V114-N157 WeakPolarHBondContact CG2-OD1 3.19Å |
| 115 | K | 88.6 | Confident | 84.4 | Confident | 147 Ų | 147 | 53 Ų | 53 | 64% | 0.639 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.9 | -47.6 | 176 | -65.9 | 177.7 | -178.2 | 170 | 0 | 111.8 | S113 V117 Y118 E119 | S113-K115 PolarHBondContact O-N 3.28Å; K115-V117 VanDerWaalsContact C-N 3.33Å; K115-V117 PolarHBondContact O-N 3.2Å; K115-Y118 WeakPolarHBondContact O-CB 3.34Å; K115-Y118 PolarHBondContact O-N 3.42Å; K115-Y118 VanDerWaalsContact O-N 3.14Å; K115-E119 PolarHBondContact O-N 2.91Å |
| 116 | A | 86.9 | Confident | 84.6 | Confident | 21 Ų | 21 | 55 Ų | 55 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | V112 S113 Y118 E119 I120 | V112-A116 HydrophobicContact CG1-CB 3.74Å; S113-A116 PolarHBondContact O-N 2.95Å; S113-A116 VanDerWaalsContact O-N 3.16Å; S113-A116 PolarHBondContact OG-N 3.24Å; A116-Y118 VanDerWaalsContact C-N 3.28Å; A116-Y118 PolarHBondContact O-N 3.15Å; A116-E119 PolarHBondContact O-N 2.94Å; A116-I120 WeakPolarHBondContact O-CD1 3.29Å; A116-I120 WeakPolarHBondContact O-CG1 3.05Å; A116-I120 PolarHBondContact O-N 2.97Å |
| 117 | V | 88.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | 174.6 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | V112 S113 V114 K115 I120 A121 V141 I144 I145 V155 | V112-V117 HydrophobicContact CG1-CG2 3.97Å; S113-V117 PolarHBondContact O-N 2.92Å; S113-V117 VanDerWaalsContact O-N 3.13Å; V114-V117 PolarHBondContact O-N 3.36Å; K115-V117 VanDerWaalsContact C-N 3.33Å; K115-V117 PolarHBondContact O-N 3.2Å; V117-I120 PolarHBondContact O-N 2.86Å; V117-A121 WeakPolarHBondContact O-CB 3.43Å; V117-A121 PolarHBondContact O-N 3.25Å; V117-V141 HydrophobicContact CG1-CG1 4.08Å; V117-I144 HydrophobicContact CG1-CB 4.2Å; V117-I144 HydrophobicContact CG1-CG2 3.83Å; V117-I145 HydrophobicContact CG1-CG1 4.09Å; V117-V155 HydrophobicContact CG2-CG1 4.24Å; V117-V155 HydrophobicContact CG2-CG2 4.4Å |
| 118 | Y | 89.3 | Confident | 84 | Confident | 102 Ų | 102 | 49 Ų | 49 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 179 | -174.4 | -109.2 | 0 | 0 | 0 | 112.7 | V114 K115 A116 A121 K122 V141 | V114-Y118 PolarHBondContact O-N 3.26Å; K115-Y118 WeakPolarHBondContact O-CB 3.34Å; K115-Y118 PolarHBondContact O-N 3.42Å; K115-Y118 VanDerWaalsContact O-N 3.14Å; A116-Y118 VanDerWaalsContact C-N 3.28Å; A116-Y118 PolarHBondContact O-N 3.15Å; Y118-A121 WeakPolarHBondContact O-CB 3.43Å; Y118-A121 PolarHBondContact O-N 2.79Å; Y118-K122 HydrophobicContact CD1-CD 4.37Å; Y118-K122 HydrophobicContact CE1-CD 4.02Å; Y118-K122 HydrophobicContact CE1-CG 4.49Å; Y118-K122 VanDerWaalsContact CE1-NZ 3.33Å; Y118-K122 PolarHBondContact O-N 3.12Å; Y118-K122 WeakPolarHBondContact OH-CE 3.21Å; Y118-V141 HydrophobicContact CD2-CG2 4.06Å |
| 119 | E | 88.7 | Confident | 83.3 | Confident | 129 Ų | 129 | 48.2 Ų | 48.2 | 60% | 0.603 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.4 | -44.8 | 173.6 | -70.5 | 175.8 | -174.6 | 0 | 0 | 111.7 | K115 A116 A121 K122 V123 | K115-E119 PolarHBondContact O-N 2.91Å; A116-E119 PolarHBondContact O-N 2.94Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 3.25Å; E119-K122 PolarHBondContact O-N 3.49Å; E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 3.11Å; E119-V123 VanDerWaalsContact O-N 3.11Å |
| 120 | I | 88.5 | Confident | 82.6 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 174.6 | -64.3 | 164.3 | 0 | 0 | 0 | 110.2 | F90 L91 A94 A116 V117 V123 K124 I144 | F90-I120 HydrophobicContact CB-CD1 4.06Å; F90-I120 HydrophobicContact CB-CG1 4.08Å; F90-I120 HydrophobicContact CB-CG2 3.64Å; F90-I120 HydrophobicContact CD2-CG2 4.07Å; F90-I120 HydrophobicContact CG-CG2 3.96Å; L91-I120 HydrophobicContact CD2-CD1 4.22Å; A94-I120 HydrophobicContact CB-CD1 4.06Å; A116-I120 WeakPolarHBondContact O-CD1 3.29Å; A116-I120 WeakPolarHBondContact O-CG1 3.05Å; A116-I120 PolarHBondContact O-N 2.97Å; V117-I120 PolarHBondContact O-N 2.86Å; I120-V123 PolarHBondContact O-N 3.48Å; I120-K124 WeakPolarHBondContact O-CB 3.37Å; I120-K124 PolarHBondContact O-N 3.38Å; I120-I144 HydrophobicContact CG2-CD1 4.12Å |
| 121 | A | 86.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V117 Y118 E119 K124 G125 V140 V141 I144 | V117-A121 WeakPolarHBondContact O-CB 3.43Å; V117-A121 PolarHBondContact O-N 3.25Å; Y118-A121 WeakPolarHBondContact O-CB 3.43Å; Y118-A121 PolarHBondContact O-N 2.79Å; E119-A121 VanDerWaalsContact C-N 3.26Å; E119-A121 PolarHBondContact O-N 3.25Å; A121-K124 PolarHBondContact O-N 3.43Å; A121-G125 WeakPolarHBondContact O-CA 3.49Å; A121-G125 PolarHBondContact O-N 2.85Å; A121-V140 HydrophobicContact CB-CG1 3.96Å; A121-V141 HydrophobicContact CB-CG2 3.56Å; A121-I144 VanDerWaalsContact CA-CD1 3.43Å; A121-I144 HydrophobicContact CB-CD1 3.65Å |
| 122 | K | 86.6 | Confident | 80.7 | Confident | 108 Ų | 108 | 61.2 Ų | 61.2 | 47% | 0.47 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.3 | -77.4 | 177.9 | 167.5 | 173.5 | 0 | 112 | Y118 E119 | Y118-K122 HydrophobicContact CD1-CD 4.37Å; Y118-K122 HydrophobicContact CE1-CD 4.02Å; Y118-K122 HydrophobicContact CE1-CG 4.49Å; Y118-K122 VanDerWaalsContact CE1-NZ 3.33Å; Y118-K122 PolarHBondContact O-N 3.12Å; Y118-K122 WeakPolarHBondContact OH-CE 3.21Å; E119-K122 PolarHBondContact O-N 3.49Å |
| 123 | V | 85.8 | Confident | 79.9 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65 | -46 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | F90 E119 I120 Q126 | F90-V123 HydrophobicContact CZ-CG1 3.99Å; E119-V123 WeakPolarHBondContact O-CG2 3.32Å; E119-V123 PolarHBondContact O-N 3.11Å; E119-V123 VanDerWaalsContact O-N 3.11Å; I120-V123 PolarHBondContact O-N 3.48Å; V123-Q126 PolarHBondContact O-N 3.48Å |
| 124 | K | 83.1 | Confident | 78.7 | Confident | 17 Ų | 17 | 75.4 Ų | 75.4 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.8 | -27.9 | -176.8 | -167.1 | 58 | 173.5 | 167.7 | 0 | 113.1 | Q84 P85 V87 I120 A121 Q126 D127 F130 | Q84-K124 HydrophobicContact CB-CD 3.89Å; Q84-K124 PolarHBondContact O-NZ 3.47Å; P85-K124 WeakPolarHBondContact O-CE 3.45Å; P85-K124 PolarHBondContact O-NZ 2.84Å; V87-K124 HydrophobicContact CG2-CG 4.24Å; I120-K124 WeakPolarHBondContact O-CB 3.37Å; I120-K124 PolarHBondContact O-N 3.38Å; A121-K124 PolarHBondContact O-N 3.43Å; K124-Q126 PolarHBondContact O-N 2.89Å; K124-D127 IonicContact NZ-OD2 2.83Å; K124-D127 PolarHBondContact NZ-OD2 2.95Å; K124-D127 WeakPolarHBondContact O-CB 3.3Å; K124-D127 PolarHBondContact O-N 2.89Å; K124-D127 VanDerWaalsContact O-N 3.1Å; K124-F130 HydrophobicContact CG-CE2 3.96Å; K124-F130 WeakPolarHBondContact O-CD2 3.25Å |
| 125 | G | 77.3 | Confident | 78 | Confident | 20 Ų | 20 | 74.6 Ų | 74.6 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -19.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A121 D127 | A121-G125 WeakPolarHBondContact O-CA 3.49Å; A121-G125 PolarHBondContact O-N 2.85Å; G125-D127 PolarHBondContact O-N 3.3Å |
| 126 | Q | 78.3 | Confident | 77.8 | Confident | 119 Ų | 119 | 70.5 Ų | 70.5 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.3 | 175.1 | -62.1 | 178.1 | -1.9 | 0 | 0 | 113.7 | V123 K124 K131 | V123-Q126 PolarHBondContact O-N 3.48Å; K124-Q126 PolarHBondContact O-N 2.89Å; Q126-K131 WeakPolarHBondContact O-CD 3.46Å; Q126-K131 WeakPolarHBondContact O-CE 3.1Å; Q126-K131 PolarHBondContact O-NZ 3.38Å |
| 127 | D | 78.1 | Confident | 77.5 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -69 | 147.9 | 179.9 | -157 | -10.6 | 0 | 0 | 0 | 111.5 | Q84 K124 G125 C129 F130 K131 | Q84-D127 HydrophobicContact CB-CB 4.23Å; Q84-D127 HydrophobicContact CG-CB 4.09Å; Q84-D127 PolarHBondContact N-OD2 3.1Å; K124-D127 IonicContact NZ-OD2 2.83Å; K124-D127 PolarHBondContact NZ-OD2 2.95Å; K124-D127 WeakPolarHBondContact O-CB 3.3Å; K124-D127 PolarHBondContact O-N 2.89Å; K124-D127 VanDerWaalsContact O-N 3.1Å; G125-D127 PolarHBondContact O-N 3.3Å; D127-C129 PolarHBondContact O-N 3.24Å; D127-C129 VanDerWaalsContact O-N 3.11Å; D127-F130 HydrophobicContact CB-CD2 4.21Å; D127-F130 PolarHBondContact O-N 3.22Å; D127-K131 PolarHBondContact O-N 3.38Å; D127-K131 VanDerWaalsContact O-N 3.1Å |
| 128 | E | 67.9 | Low | 77.4 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.6 | -33.4 | -175.8 | -67 | -170.8 | 171.3 | 0 | 0 | 112.1 | K81 F130 K131 I132 | K81-E128 WeakPolarHBondContact CD-OE2 3.27Å; K81-E128 IonicContact NZ-OE2 3.64Å; E128-F130 VanDerWaalsContact C-N 3.26Å; E128-F130 PolarHBondContact O-N 3.43Å; E128-K131 PolarHBondContact O-N 3Å; E128-I132 WeakPolarHBondContact O-CB 3.46Å; E128-I132 WeakPolarHBondContact O-CD1 3.4Å; E128-I132 WeakPolarHBondContact O-CG1 3.45Å; E128-I132 PolarHBondContact O-N 3.07Å |
| 129 | C | 65.9 | Low | 77.2 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 30% | 0.297 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.7 | -28.6 | -179 | -162 | 0 | 0 | 0 | 0 | 113.3 | D127 R133 | D127-C129 PolarHBondContact O-N 3.24Å; D127-C129 VanDerWaalsContact O-N 3.11Å; C129-R133 WeakPolarHBondContact O-CD 3.34Å; C129-R133 WeakPolarHBondContact O-CG 3.29Å |
| 130 | F | 63.5 | Low | 77 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -91.6 | -35.2 | 178.3 | -68.5 | -71.1 | 0 | 0 | 0 | 111.5 | K124 D127 E128 I132 R133 D134 V140 | K124-F130 HydrophobicContact CG-CE2 3.96Å; K124-F130 WeakPolarHBondContact O-CD2 3.25Å; D127-F130 HydrophobicContact CB-CD2 4.21Å; D127-F130 PolarHBondContact O-N 3.22Å; E128-F130 VanDerWaalsContact C-N 3.26Å; E128-F130 PolarHBondContact O-N 3.43Å; F130-I132 VanDerWaalsContact C-N 3.35Å; F130-I132 PolarHBondContact O-N 3.35Å; F130-R133 PolarHBondContact O-N 2.97Å; F130-R133 VanDerWaalsContact O-N 3.16Å; F130-D134 PolarHBondContact O-N 3.13Å; F130-V140 HydrophobicContact CD1-CG2 3.87Å; F130-V140 HydrophobicContact CE1-CG2 4.15Å; F130-V140 HydrophobicContact CG-CG2 4.39Å |
| 131 | K | 62.6 | Low | 77 | Confident | 140 Ų | 140 | 72 Ų | 72 | 61% | 0.609 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -58.7 | -42.5 | 172.2 | -73.1 | 176.1 | 169.8 | 161.7 | 0 | 112.9 | Q126 D127 E128 R133 D134 | Q126-K131 WeakPolarHBondContact O-CD 3.46Å; Q126-K131 WeakPolarHBondContact O-CE 3.1Å; Q126-K131 PolarHBondContact O-NZ 3.38Å; D127-K131 PolarHBondContact O-N 3.38Å; D127-K131 VanDerWaalsContact O-N 3.1Å; E128-K131 PolarHBondContact O-N 3Å; K131-R133 PolarHBondContact O-N 3.23Å; K131-D134 PolarHBondContact O-N 2.94Å |
| 132 | I | 63.3 | Low | 77.1 | Confident | 141 Ų | 141 | 78.8 Ų | 78.8 | 72% | 0.723 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -26.2 | 179.5 | -65.6 | 163.5 | 0 | 0 | 0 | 111.8 | E128 F130 | E128-I132 WeakPolarHBondContact O-CB 3.46Å; E128-I132 WeakPolarHBondContact O-CD1 3.4Å; E128-I132 WeakPolarHBondContact O-CG1 3.45Å; E128-I132 PolarHBondContact O-N 3.07Å; F130-I132 VanDerWaalsContact C-N 3.35Å; F130-I132 PolarHBondContact O-N 3.35Å |
| 133 | R | 69.9 | Low | 77.3 | Confident | 175 Ų | 175 | 77.1 Ų | 77.1 | 66% | 0.66 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 1.2 | -175.1 | -68.2 | -178.5 | 177.5 | -168.2 | -2.4 | 113.7 | C129 F130 K131 T135 | C129-R133 WeakPolarHBondContact O-CD 3.34Å; C129-R133 WeakPolarHBondContact O-CG 3.29Å; F130-R133 PolarHBondContact O-N 2.97Å; F130-R133 VanDerWaalsContact O-N 3.16Å; K131-R133 PolarHBondContact O-N 3.23Å; R133-T135 WeakPolarHBondContact CB-OG1 3.46Å; R133-T135 PolarHBondContact O-N 2.91Å; R133-T135 PolarHBondContact O-OG1 3.25Å |
| 134 | D | 65 | Low | 77.4 | Confident | 154 Ų | 154 | 74.3 Ų | 74.3 | 82% | 0.824 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.2 | 47.2 | -175.1 | -161.1 | 22 | 0 | 0 | 0 | 113.1 | F130 K131 | F130-D134 PolarHBondContact O-N 3.13Å; K131-D134 PolarHBondContact O-N 2.94Å |
| 135 | T | 73.7 | Confident | 77.8 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 25% | 0.252 | 39% | 0.386 | S | S | . | . | trans | -83.4 | 128.3 | -168.3 | -56.8 | 0 | 0 | 0 | 0 | 110 | R133 T139 V140 | R133-T135 WeakPolarHBondContact CB-OG1 3.46Å; R133-T135 PolarHBondContact O-N 2.91Å; R133-T135 PolarHBondContact O-OG1 3.25Å; T135-T139 VanDerWaalsContact CG2-CB 3.45Å; T135-T139 HydrophobicContact CG2-CG2 3.52Å; T135-V140 HydrophobicContact CG2-CG2 4.11Å | ||
| 136 | S | 82.9 | Confident | 78.4 | Confident | 61 Ų | 61 | 77.1 Ų | 77.1 | 43% | 0.427 | 40% | 0.395 | S | S | . | . | trans | -57 | 145.9 | 174.8 | 67 | 0 | 0 | 0 | 0 | 111.9 | E138 T139 V140 | S136-E138 PolarHBondContact O-N 3.18Å; S136-E138 VanDerWaalsContact O-N 3.15Å; S136-T139 WeakPolarHBondContact O-CB 3.33Å; S136-T139 PolarHBondContact O-N 3.08Å; S136-T139 PolarHBondContact OG-OG1 2.89Å; S136-V140 PolarHBondContact O-N 3.11Å | ||
| 137 | L | 81.6 | Confident | 78.9 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 41% | 0.408 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55 | -34.3 | 178.7 | -77.3 | 172.5 | 0 | 0 | 0 | 112.4 | T139 V140 V141 | L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.17Å; L137-V140 WeakPolarHBondContact O-CB 3.4Å; L137-V140 PolarHBondContact O-N 3.02Å; L137-V141 VanDerWaalsContact O-CG2 3.32Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 3.06Å |
| 138 | E | 85.6 | Confident | 79.4 | Confident | 136 Ų | 136 | 72.2 Ų | 72.2 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.5 | -40.9 | 176.1 | -62 | -179.3 | -176.6 | 0 | 0 | 112.6 | S136 V141 K142 | S136-E138 PolarHBondContact O-N 3.18Å; S136-E138 VanDerWaalsContact O-N 3.15Å; E138-V141 PolarHBondContact O-N 3.44Å; E138-K142 WeakPolarHBondContact O-CG 3.36Å; E138-K142 PolarHBondContact O-N 2.93Å |
| 139 | T | 86.3 | Confident | 80.4 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71 | -35.7 | 179.5 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | T135 S136 L137 K142 T143 | T135-T139 VanDerWaalsContact CG2-CB 3.45Å; T135-T139 HydrophobicContact CG2-CG2 3.52Å; S136-T139 WeakPolarHBondContact O-CB 3.33Å; S136-T139 PolarHBondContact O-N 3.08Å; S136-T139 PolarHBondContact OG-OG1 2.89Å; L137-T139 VanDerWaalsContact C-N 3.32Å; L137-T139 PolarHBondContact O-N 3.17Å; T139-K142 PolarHBondContact O-N 3.3Å; T139-T143 PolarHBondContact O-N 3.02Å; T139-T143 PolarHBondContact O-OG1 3.4Å |
| 140 | V | 85.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.7 | -46 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | A121 F130 T135 S136 L137 K142 T143 I144 | A121-V140 HydrophobicContact CB-CG1 3.96Å; F130-V140 HydrophobicContact CD1-CG2 3.87Å; F130-V140 HydrophobicContact CE1-CG2 4.15Å; F130-V140 HydrophobicContact CG-CG2 4.39Å; T135-V140 HydrophobicContact CG2-CG2 4.11Å; S136-V140 PolarHBondContact O-N 3.11Å; L137-V140 WeakPolarHBondContact O-CB 3.4Å; L137-V140 PolarHBondContact O-N 3.02Å; V140-K142 PolarHBondContact O-N 3.21Å; V140-T143 WeakPolarHBondContact O-CB 3.32Å; V140-T143 PolarHBondContact O-N 3.49Å; V140-I144 HydrophobicContact CG1-CD1 3.97Å; V140-I144 WeakPolarHBondContact O-CG1 3.48Å; V140-I144 PolarHBondContact O-N 3.27Å |
| 141 | V | 88.4 | Confident | 82.5 | Confident | 24 Ų | 24 | 79.2 Ų | 79.2 | 15% | 0.145 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.4 | -48 | 176.3 | 169.7 | 0 | 0 | 0 | 0 | 111 | V117 Y118 A121 L137 E138 T143 I144 I145 | V117-V141 HydrophobicContact CG1-CG1 4.08Å; Y118-V141 HydrophobicContact CD2-CG2 4.06Å; A121-V141 HydrophobicContact CB-CG2 3.56Å; L137-V141 VanDerWaalsContact O-CG2 3.32Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 3.06Å; E138-V141 PolarHBondContact O-N 3.44Å; V141-T143 VanDerWaalsContact C-N 3.27Å; V141-T143 PolarHBondContact O-N 3.45Å; V141-I144 PolarHBondContact O-N 3.26Å; V141-I144 VanDerWaalsContact O-N 3.11Å; V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.34Å; V141-I145 WeakPolarHBondContact O-CG1 3.33Å; V141-I145 PolarHBondContact O-N 3.35Å |
| 142 | K | 89.1 | Confident | 83.5 | Confident | 143 Ų | 143 | 73 Ų | 73 | 62% | 0.622 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57.2 | -40.4 | 176.4 | -74 | 173.4 | -176.2 | 173.1 | 0 | 112.3 | E138 T139 V140 I145 G146 | E138-K142 WeakPolarHBondContact O-CG 3.36Å; E138-K142 PolarHBondContact O-N 2.93Å; T139-K142 PolarHBondContact O-N 3.3Å; V140-K142 PolarHBondContact O-N 3.21Å; K142-I145 PolarHBondContact O-N 3.12Å; K142-G146 PolarHBondContact O-N 3.39Å |
| 143 | T | 89.3 | Confident | 84.6 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | T139 V140 V141 G146 S147 | T139-T143 PolarHBondContact O-N 3.02Å; T139-T143 PolarHBondContact O-OG1 3.4Å; V140-T143 WeakPolarHBondContact O-CB 3.32Å; V140-T143 PolarHBondContact O-N 3.49Å; V141-T143 VanDerWaalsContact C-N 3.27Å; V141-T143 PolarHBondContact O-N 3.45Å; T143-G146 PolarHBondContact O-N 2.93Å; T143-S147 PolarHBondContact O-N 2.82Å; T143-S147 PolarHBondContact O-OG 3.31Å |
| 144 | I | 89.3 | Confident | 85.4 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.3 | -40 | 177.4 | -66 | 164.7 | 0 | 0 | 0 | 110.8 | V87 L91 V117 I120 A121 V140 V141 G146 S147 A148 | V87-I144 HydrophobicContact CG1-CB 4.38Å; V87-I144 HydrophobicContact CG1-CG1 4.06Å; V87-I144 HydrophobicContact CG1-CG2 3.96Å; L91-I144 HydrophobicContact CD1-CG2 4.44Å; L91-I144 HydrophobicContact CD2-CG2 4Å; L91-I144 HydrophobicContact CG-CG2 4.46Å; V117-I144 HydrophobicContact CG1-CB 4.2Å; V117-I144 HydrophobicContact CG1-CG2 3.83Å; I120-I144 HydrophobicContact CG2-CD1 4.12Å; A121-I144 VanDerWaalsContact CA-CD1 3.43Å; A121-I144 HydrophobicContact CB-CD1 3.65Å; V140-I144 HydrophobicContact CG1-CD1 3.97Å; V140-I144 WeakPolarHBondContact O-CG1 3.48Å; V140-I144 PolarHBondContact O-N 3.27Å; V141-I144 PolarHBondContact O-N 3.26Å; V141-I144 VanDerWaalsContact O-N 3.11Å; I144-G146 VanDerWaalsContact C-N 3.32Å; I144-G146 PolarHBondContact O-N 3Å; I144-S147 CarbonylContact O-C 3.54Å; I144-S147 WeakPolarHBondContact O-CA 3.4Å; I144-S147 WeakPolarHBondContact O-CB 3.43Å; I144-S147 PolarHBondContact O-N 3.12Å; I144-S147 VanDerWaalsContact O-N 3.09Å; I144-A148 PolarHBondContact O-N 2.64Å |
| 145 | I | 90.1 | Very high | 86.4 | Confident | 57 Ų | 57 | 57.1 Ų | 57.1 | 29% | 0.292 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 173.7 | -66.4 | 167.9 | 0 | 0 | 0 | 110.6 | V117 V141 K142 S147 A148 R149 V155 | V117-I145 HydrophobicContact CG1-CG1 4.09Å; V141-I145 HydrophobicContact CG1-CD1 3.75Å; V141-I145 HydrophobicContact CG1-CG1 4.34Å; V141-I145 WeakPolarHBondContact O-CG1 3.33Å; V141-I145 PolarHBondContact O-N 3.35Å; K142-I145 PolarHBondContact O-N 3.12Å; I145-S147 VanDerWaalsContact C-N 3.27Å; I145-S147 PolarHBondContact O-N 2.93Å; I145-A148 WeakPolarHBondContact O-CB 3.41Å; I145-A148 PolarHBondContact O-N 2.93Å; I145-A148 VanDerWaalsContact O-N 3.16Å; I145-R149 PolarHBondContact O-N 2.89Å; I145-V155 HydrophobicContact CG2-CG2 4.47Å |
| 146 | G | 89.8 | Confident | 87 | Confident | 39 Ų | 39 | 57 Ų | 57 | 40% | 0.402 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.2 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K142 T143 I144 R149 S150 | K142-G146 PolarHBondContact O-N 3.39Å; T143-G146 PolarHBondContact O-N 2.93Å; I144-G146 VanDerWaalsContact C-N 3.32Å; I144-G146 PolarHBondContact O-N 3Å; G146-R149 PolarHBondContact O-N 3.36Å; G146-S150 PolarHBondContact O-N 3.06Å |
| 147 | S | 89.6 | Confident | 86.8 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.3 | -30.7 | 176.1 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | T143 I144 I145 S150 L151 | T143-S147 PolarHBondContact O-N 2.82Å; T143-S147 PolarHBondContact O-OG 3.31Å; I144-S147 CarbonylContact O-C 3.54Å; I144-S147 WeakPolarHBondContact O-CA 3.4Å; I144-S147 WeakPolarHBondContact O-CB 3.43Å; I144-S147 PolarHBondContact O-N 3.12Å; I144-S147 VanDerWaalsContact O-N 3.09Å; I145-S147 VanDerWaalsContact C-N 3.27Å; I145-S147 PolarHBondContact O-N 2.93Å; S147-S150 PolarHBondContact O-OG 2.52Å; S147-L151 WeakPolarHBondContact O-CG 3.09Å; S147-L151 PolarHBondContact O-N 3.44Å |
| 148 | A | 89.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L91 I144 I145 S150 L151 G152 I153 V155 | L91-A148 HydrophobicContact CD1-CB 3.88Å; L91-A148 HydrophobicContact CD2-CB 4.23Å; I144-A148 PolarHBondContact O-N 2.64Å; I145-A148 WeakPolarHBondContact O-CB 3.41Å; I145-A148 PolarHBondContact O-N 2.93Å; I145-A148 VanDerWaalsContact O-N 3.16Å; A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 2.87Å; A148-L151 PolarHBondContact O-N 3.23Å; A148-G152 PolarHBondContact O-N 3.06Å; A148-I153 CarbonylContact C-O 3.47Å; A148-I153 HydrophobicContact CB-CB 4.17Å; A148-I153 HydrophobicContact CB-CG2 4.39Å; A148-I153 PolarHBondContact O-N 3.37Å; A148-V155 HydrophobicContact CB-CG2 4.06Å |
| 149 | R | 88.7 | Confident | 85.3 | Confident | 193 Ų | 193 | 58.9 Ų | 58.9 | 73% | 0.728 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.7 | -41 | 176.4 | -69.5 | -179.3 | 70.2 | -168.9 | 2.1 | 112.3 | I145 G146 L151 G152 | I145-R149 PolarHBondContact O-N 2.89Å; G146-R149 PolarHBondContact O-N 3.36Å; R149-L151 PolarHBondContact O-N 2.97Å; R149-G152 PolarHBondContact O-N 3.05Å; R149-G152 VanDerWaalsContact O-N 3.08Å |
| 150 | S | 87.4 | Confident | 84.5 | Confident | 81 Ų | 81 | 58.2 Ų | 58.2 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -71.3 | -15.1 | 177.7 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | T104 G146 S147 A148 | T104-S150 WeakPolarHBondContact CG2-O 3.35Å; G146-S150 PolarHBondContact O-N 3.06Å; S147-S150 PolarHBondContact O-OG 2.52Å; A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 2.87Å |
| 151 | L | 84.6 | Confident | 83.5 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -5.2 | 171 | -68.4 | 169.8 | 0 | 0 | 0 | 112.8 | L91 A101 S147 A148 R149 I153 | L91-L151 HydrophobicContact CB-CD1 4.25Å; L91-L151 HydrophobicContact CD1-CD1 3.98Å; A101-L151 PolarHBondContact N-O 3.43Å; S147-L151 WeakPolarHBondContact O-CG 3.09Å; S147-L151 PolarHBondContact O-N 3.44Å; A148-L151 PolarHBondContact O-N 3.23Å; R149-L151 PolarHBondContact O-N 2.97Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 HydrophobicContact CB-CD1 4.02Å; L151-I153 HydrophobicContact CB-CG1 4.09Å; L151-I153 HydrophobicContact CD1-CD1 4.27Å |
| 152 | G | 84 | Confident | 82.3 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 8% | 0.082 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 24.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T108 A109 A148 R149 | T108-G152 CarbonylContact C-O 3.56Å; T108-G152 WeakPolarHBondContact CA-O 3.4Å; A109-G152 PolarHBondContact N-O 3.3Å; A148-G152 PolarHBondContact O-N 3.06Å; R149-G152 PolarHBondContact O-N 3.05Å; R149-G152 VanDerWaalsContact O-N 3.08Å |
| 153 | I | 87.1 | Confident | 81.1 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.1 | 176.2 | -61.6 | 171.1 | 0 | 0 | 0 | 108.5 | L91 A95 I97 G110 V112 A148 L151 | L91-I153 HydrophobicContact CB-CD1 3.78Å; A95-I153 HydrophobicContact CB-CD1 4.46Å; I97-I153 HydrophobicContact CD1-CD1 3.96Å; I97-I153 HydrophobicContact CD1-CG1 3.98Å; G110-I153 CarbonylContact O-C 3.57Å; G110-I153 VanDerWaalsContact O-CA 3.28Å; G110-I153 WeakPolarHBondContact O-CA 3.36Å; V112-I153 HydrophobicContact CB-CG2 4.07Å; V112-I153 HydrophobicContact CG2-CG2 3.51Å; A148-I153 CarbonylContact C-O 3.47Å; A148-I153 HydrophobicContact CB-CB 4.17Å; A148-I153 HydrophobicContact CB-CG2 4.39Å; A148-I153 PolarHBondContact O-N 3.37Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 HydrophobicContact CB-CD1 4.02Å; L151-I153 HydrophobicContact CB-CG1 4.09Å; L151-I153 HydrophobicContact CD1-CD1 4.27Å |
| 154 | Q | 86.8 | Confident | 79.9 | Confident | 94 Ų | 94 | 63 Ų | 63 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.2 | 176.9 | -172.8 | 171.5 | -0.6 | 0 | 0 | 110.2 | T108 G110 M111 V112 V156 | T108-Q154 HydrophobicContact CG2-CB 4.42Å; G110-Q154 PolarHBondContact O-N 3.46Å; M111-Q154 CarbonylContact C-O 3.58Å; M111-Q154 VanDerWaalsContact CA-O 3.24Å; M111-Q154 WeakPolarHBondContact CA-O 3.35Å; M111-Q154 HydrophobicContact CG-CB 4.33Å; V112-Q154 PolarHBondContact N-O 3.16Å; Q154-V156 HydrophobicContact CG-CG2 4.32Å |
| 155 | V | 86.9 | Confident | 78.8 | Confident | 41 Ų | 41 | 68.4 Ų | 68.4 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.7 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | V112 V114 V117 I145 A148 | V112-V155 CarbonylContact O-C 3.59Å; V112-V155 VanDerWaalsContact O-CA 3.29Å; V112-V155 WeakPolarHBondContact O-CA 3.33Å; V114-V155 HydrophobicContact CG2-CG1 3.75Å; V117-V155 HydrophobicContact CG2-CG1 4.24Å; V117-V155 HydrophobicContact CG2-CG2 4.4Å; I145-V155 HydrophobicContact CG2-CG2 4.47Å; A148-V155 HydrophobicContact CB-CG2 4.06Å |
| 156 | V | 85.7 | Confident | 77.6 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.6 | -178.2 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | M111 V112 S113 V114 Q154 D158 L159 | M111-V156 HydrophobicContact CB-CG2 4.34Å; M111-V156 HydrophobicContact CG-CG2 4.35Å; M111-V156 HydrophobicContact SD-CG2 4.13Å; V112-V156 PolarHBondContact O-N 2.88Å; S113-V156 CarbonylContact C-O 3.57Å; S113-V156 VanDerWaalsContact CA-O 3.27Å; S113-V156 WeakPolarHBondContact CA-O 3.47Å; V114-V156 PolarHBondContact N-O 2.85Å; V114-V156 VanDerWaalsContact N-O 3.08Å; Q154-V156 HydrophobicContact CG-CG2 4.32Å; V156-D158 VanDerWaalsContact CG1-O 3.28Å; V156-D158 WeakPolarHBondContact CG1-O 3.28Å; V156-L159 HydrophobicContact CB-CD1 4.49Å |
| 157 | N | 79.3 | Confident | 76.6 | Confident | 120 Ų | 120 | 68.8 Ų | 68.8 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -73.4 | -50.9 | -179.2 | -72.2 | -10.7 | 0 | 0 | 0 | 111.7 | V114 | V114-N157 WeakPolarHBondContact CG2-OD1 3.19Š|
| 158 | D | 69.5 | Low | 75.6 | Confident | 131 Ų | 131 | 70 Ų | 70 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -119.8 | 123.5 | 178 | -60.3 | -58.9 | 0 | 0 | 0 | 108.7 | V156 | V156-D158 VanDerWaalsContact CG1-O 3.28Å; V156-D158 WeakPolarHBondContact CG1-O 3.28Å |
| 159 | L | 66.2 | Low | 74.7 | Confident | 62 Ų | 62 | 76 Ų | 76 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | trans | -115.5 | 114.2 | 179.9 | -164.5 | 74.1 | 0 | 0 | 0 | 107.6 | M111 V156 Y164 | M111-L159 HydrophobicContact CB-CD1 3.88Å; M111-L159 HydrophobicContact SD-CD1 4.25Å; V156-L159 HydrophobicContact CB-CD1 4.49Å; L159-Y164 HydrophobicContact CD1-CD2 4.22Å; L159-Y164 HydrophobicContact CD2-CD2 3.79Å; L159-Y164 HydrophobicContact CD2-CE2 4.23Å; L159-Y164 HydrophobicContact CD2-CG 4.31Å; L159-Y164 HydrophobicContact CG-CD2 4.31Å | ||
| 160 | S | 68.5 | Low | 73.8 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | trans | -81.8 | 141 | 171.7 | 78.9 | 0 | 0 | 0 | 0 | 109.9 | D162 E163 Y164 | S160-D162 PolarHBondContact O-N 3.2Å; S160-E163 WeakPolarHBondContact CB-OE2 3.24Å; S160-E163 WeakPolarHBondContact OG-CB 3.42Å; S160-E163 WeakPolarHBondContact OG-CG 3.4Å; S160-E163 PolarHBondContact OG-OE2 2.87Å; S160-Y164 PolarHBondContact O-N 3.38Å | ||
| 161 | A | 63.7 | Low | 72.8 | Confident | 68 Ų | 68 | 69 Ų | 69 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.3 | -23.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | K165 | A161-K165 WeakPolarHBondContact O-CG 3.26Å; A161-K165 PolarHBondContact O-N 3.09Å |
| 162 | D | 63.5 | Low | 72.1 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -85.5 | -38.5 | -176.1 | -59.4 | -39.9 | 0 | 0 | 0 | 111.8 | S160 Y164 K165 V166 | S160-D162 PolarHBondContact O-N 3.2Å; D162-Y164 PolarHBondContact O-N 3.44Å; D162-K165 PolarHBondContact O-N 2.99Å; D162-K165 IonicContact OD1-NZ 2.73Å; D162-V166 WeakPolarHBondContact O-CG2 3.28Å; D162-V166 PolarHBondContact O-N 3.07Å |
| 163 | E | 63.9 | Low | 71.4 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.9 | -34.1 | 170.9 | -70.9 | 167.1 | 156.1 | 0 | 0 | 111.6 | S160 F167 | S160-E163 WeakPolarHBondContact CB-OE2 3.24Å; S160-E163 WeakPolarHBondContact OG-CB 3.42Å; S160-E163 WeakPolarHBondContact OG-CG 3.4Å; S160-E163 PolarHBondContact OG-OE2 2.87Å; E163-F167 WeakPolarHBondContact O-CB 3.47Å; E163-F167 PolarHBondContact O-N 3.13Å |
| 164 | Y | 64.2 | Low | 70.5 | Confident | 34 Ų | 34 | 85.2 Ų | 85.2 | 13% | 0.133 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 178.9 | -158 | -107.3 | 0 | 0 | 0 | 113.1 | A95 M111 L159 S160 D162 F167 L168 | A95-Y164 WeakPolarHBondContact CA-OH 3.45Å; A95-Y164 PolarHBondContact O-OH 2.84Å; M111-Y164 HydrophobicContact CB-CD2 4.33Å; M111-Y164 HydrophobicContact CB-CE2 3.94Å; M111-Y164 WeakPolarHBondContact O-CE2 3.32Å; L159-Y164 HydrophobicContact CD1-CD2 4.22Å; L159-Y164 HydrophobicContact CD2-CD2 3.79Å; L159-Y164 HydrophobicContact CD2-CE2 4.23Å; L159-Y164 HydrophobicContact CD2-CG 4.31Å; L159-Y164 HydrophobicContact CG-CD2 4.31Å; S160-Y164 PolarHBondContact O-N 3.38Å; D162-Y164 PolarHBondContact O-N 3.44Å; Y164-F167 PolarHBondContact O-N 3.16Å; Y164-L168 HydrophobicContact CD1-CD1 3.79Å; Y164-L168 HydrophobicContact CD1-CG 4.15Å; Y164-L168 HydrophobicContact CE1-CD1 3.7Å; Y164-L168 HydrophobicContact CE1-CD2 4.13Å; Y164-L168 HydrophobicContact CE1-CG 3.95Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.22Å |
| 165 | K | 65.6 | Low | 69.7 | Low | 118 Ų | 118 | 84.2 Ų | 84.2 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.4 | -45.3 | 178.3 | -70.1 | 169 | -171.5 | 164.2 | 0 | 111.4 | A161 D162 F167 L168 E169 | A161-K165 WeakPolarHBondContact O-CG 3.26Å; A161-K165 PolarHBondContact O-N 3.09Å; D162-K165 PolarHBondContact O-N 2.99Å; D162-K165 IonicContact OD1-NZ 2.73Å; K165-F167 PolarHBondContact O-N 3.48Å; K165-L168 PolarHBondContact O-N 3.01Å; K165-L168 VanDerWaalsContact O-N 3.12Å; K165-E169 PolarHBondContact O-N 2.8Å |
| 166 | V | 66.7 | Low | 68.8 | Low | 72 Ų | 72 | 89 Ų | 89 | 44% | 0.436 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | D162 E169 Q170 | D162-V166 WeakPolarHBondContact O-CG2 3.28Å; D162-V166 PolarHBondContact O-N 3.07Å; V166-E169 PolarHBondContact O-N 3.25Å; V166-Q170 WeakPolarHBondContact O-CB 3.49Å; V166-Q170 VanDerWaalsContact O-CG 3.26Å; V166-Q170 WeakPolarHBondContact O-CG 3.33Å; V166-Q170 PolarHBondContact O-N 2.79Å |
| 167 | F | 67.5 | Low | 68.1 | Low | 31 Ų | 31 | 90 Ų | 90 | 14% | 0.136 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 175.8 | -177 | -94 | 0 | 0 | 0 | 113 | T108 E163 Y164 K165 R171 | T108-F167 WeakPolarHBondContact O-CZ 3.46Å; E163-F167 WeakPolarHBondContact O-CB 3.47Å; E163-F167 PolarHBondContact O-N 3.13Å; Y164-F167 PolarHBondContact O-N 3.16Å; K165-F167 PolarHBondContact O-N 3.48Å; F167-R171 WeakPolarHBondContact O-CB 3.41Å; F167-R171 PolarHBondContact O-N 3.03Å |
| 168 | L | 69.8 | Low | 67.5 | Low | 60 Ų | 60 | 86.7 Ų | 86.7 | 31% | 0.314 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 176.9 | -72.4 | 174 | 0 | 0 | 0 | 111.8 | Y164 K165 R171 E172 | Y164-L168 HydrophobicContact CD1-CD1 3.79Å; Y164-L168 HydrophobicContact CD1-CG 4.15Å; Y164-L168 HydrophobicContact CE1-CD1 3.7Å; Y164-L168 HydrophobicContact CE1-CD2 4.13Å; Y164-L168 HydrophobicContact CE1-CG 3.95Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.22Å; K165-L168 PolarHBondContact O-N 3.01Å; K165-L168 VanDerWaalsContact O-N 3.12Å; L168-R171 PolarHBondContact O-N 3.16Å; L168-R171 VanDerWaalsContact O-N 3.16Å; L168-E172 PolarHBondContact O-N 3.24Å |
| 169 | E | 69.4 | Low | 67.3 | Low | 126 Ų | 126 | 83.1 Ų | 83.1 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.5 | -48.8 | 176.7 | -71 | 174.2 | 178.2 | 0 | 0 | 111.5 | K165 V166 R171 E172 E173 | K165-E169 PolarHBondContact O-N 2.8Å; V166-E169 PolarHBondContact O-N 3.25Å; E169-R171 PolarHBondContact O-N 3.45Å; E169-E172 PolarHBondContact O-N 3.25Å; E169-E172 VanDerWaalsContact O-N 3.13Å; E169-E173 PolarHBondContact O-N 2.99Å; E169-E173 VanDerWaalsContact O-N 3.16Å |
| 170 | Q | 69 | Low | 67.3 | Low | 100 Ų | 100 | 83.2 Ų | 83.2 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.8 | -32.1 | 174.9 | -71.3 | 175.5 | 4 | 0 | 0 | 112.5 | V166 K174 | V166-Q170 WeakPolarHBondContact O-CB 3.49Å; V166-Q170 VanDerWaalsContact O-CG 3.26Å; V166-Q170 WeakPolarHBondContact O-CG 3.33Å; V166-Q170 PolarHBondContact O-N 2.79Å; Q170-K174 WeakPolarHBondContact O-CG 3.28Å; Q170-K174 PolarHBondContact O-N 2.98Å |
| 171 | R | 67.3 | Low | 67.2 | Low | 26 Ų | 26 | 83.6 Ų | 83.6 | 10% | 0.098 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -75.5 | -38.7 | 176.9 | -174.5 | 59.4 | 177 | 168.1 | 1.8 | 111.6 | E107 F167 L168 E169 E173 K174 L175 | E107-R171 IonicContact OE2-CZ 2.76Å; E107-R171 IonicContact OE2-NH1 3.8Å; E107-R171 PolarHBondContact OE2-NH1 3.43Å; E107-R171 IonicContact OE2-NH2 3.55Å; F167-R171 WeakPolarHBondContact O-CB 3.41Å; F167-R171 PolarHBondContact O-N 3.03Å; L168-R171 PolarHBondContact O-N 3.16Å; L168-R171 VanDerWaalsContact O-N 3.16Å; E169-R171 PolarHBondContact O-N 3.45Å; R171-E173 VanDerWaalsContact C-N 3.3Å; R171-E173 PolarHBondContact O-N 3.08Å; R171-K174 PolarHBondContact O-N 3.33Å; R171-L175 VanDerWaalsContact O-CB 3.32Å; R171-L175 WeakPolarHBondContact O-CB 3.48Å; R171-L175 PolarHBondContact O-N 3Å |
| 172 | E | 69.3 | Low | 67.1 | Low | 119 Ų | 119 | 81.9 Ų | 81.9 | 56% | 0.556 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 175.6 | -76.1 | -167.6 | 178.5 | 0 | 0 | 111.7 | L168 E169 L175 K176 | L168-E172 PolarHBondContact O-N 3.24Å; E169-E172 PolarHBondContact O-N 3.25Å; E169-E172 VanDerWaalsContact O-N 3.13Å; E172-L175 PolarHBondContact O-N 2.93Å; E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 VanDerWaalsContact O-CG 3.28Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 3.34Å |
| 173 | E | 68.9 | Low | 67.1 | Low | 138 Ų | 138 | 79.7 Ų | 79.7 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.9 | -46 | 174.9 | -67.5 | -176.6 | 163.3 | 0 | 0 | 111.8 | E169 R171 L175 K176 A177 | E169-E173 PolarHBondContact O-N 2.99Å; E169-E173 VanDerWaalsContact O-N 3.16Å; R171-E173 VanDerWaalsContact C-N 3.3Å; R171-E173 PolarHBondContact O-N 3.08Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 3.45Å; E173-K176 PolarHBondContact O-N 2.79Å; E173-A177 PolarHBondContact O-N 3.15Å |
| 174 | K | 69.6 | Low | 67 | Low | 125 Ų | 125 | 76.7 Ų | 76.7 | 54% | 0.543 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 175.7 | -75.3 | 178.3 | 179.8 | 175.5 | 0 | 112.5 | Q170 R171 K176 A177 D178 | Q170-K174 WeakPolarHBondContact O-CG 3.28Å; Q170-K174 PolarHBondContact O-N 2.98Å; R171-K174 PolarHBondContact O-N 3.33Å; K174-K176 VanDerWaalsContact C-N 3.34Å; K174-A177 PolarHBondContact O-N 3.33Å; K174-D178 WeakPolarHBondContact O-CB 3.13Å; K174-D178 VanDerWaalsContact O-CG 3.27Å; K174-D178 PolarHBondContact O-N 3.34Å |
| 175 | L | 69.1 | Low | 66.8 | Low | 74 Ų | 74 | 77.5 Ų | 77.5 | 39% | 0.387 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71 | -33.2 | -179.2 | -141.1 | 151 | 0 | 0 | 0 | 111.3 | R171 E172 E173 A179 | R171-L175 VanDerWaalsContact O-CB 3.32Å; R171-L175 WeakPolarHBondContact O-CB 3.48Å; R171-L175 PolarHBondContact O-N 3Å; E172-L175 PolarHBondContact O-N 2.93Å; E173-L175 VanDerWaalsContact C-N 3.35Å; E173-L175 PolarHBondContact O-N 3.45Å; L175-A179 WeakPolarHBondContact O-CB 3.49Å; L175-A179 PolarHBondContact O-N 2.96Å |
| 176 | K | 69.1 | Low | 66.6 | Low | 141 Ų | 141 | 74.5 Ų | 74.5 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 169.8 | -72.8 | 171.7 | -171.6 | 168.7 | 0 | 111.2 | E172 E173 K174 A179 A180 | E172-K176 WeakPolarHBondContact O-CB 3.48Å; E172-K176 VanDerWaalsContact O-CG 3.28Å; E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 3.34Å; E173-K176 PolarHBondContact O-N 2.79Å; K174-K176 VanDerWaalsContact C-N 3.34Å; K176-A179 PolarHBondContact O-N 2.86Å; K176-A180 WeakPolarHBondContact O-CB 3.19Å; K176-A180 PolarHBondContact O-N 2.97Å |
| 177 | A | 70.1 | Confident | 66.2 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 49% | 0.488 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E173 K174 A180 A181 | E173-A177 PolarHBondContact O-N 3.15Å; K174-A177 PolarHBondContact O-N 3.33Å; A177-A180 PolarHBondContact O-N 3.4Å; A177-A181 WeakPolarHBondContact O-CB 3.29Å; A177-A181 PolarHBondContact O-N 2.92Å |
| 178 | D | 65.9 | Low | 65.7 | Low | 51 Ų | 51 | 75 Ų | 75 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 177.6 | -75.3 | -30 | 0 | 0 | 0 | 112.6 | K174 A181 A182 | K174-D178 WeakPolarHBondContact O-CB 3.13Å; K174-D178 VanDerWaalsContact O-CG 3.27Å; K174-D178 PolarHBondContact O-N 3.34Å; D178-A181 PolarHBondContact O-N 3.48Å; D178-A182 WeakPolarHBondContact O-CB 3.39Å; D178-A182 PolarHBondContact O-N 3.24Å |
| 179 | A | 66.1 | Low | 65.1 | Low | 56 Ų | 56 | 79.3 Ų | 79.3 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L175 K176 A182 A183 | L175-A179 WeakPolarHBondContact O-CB 3.49Å; L175-A179 PolarHBondContact O-N 2.96Å; K176-A179 PolarHBondContact O-N 2.86Å; A179-A182 PolarHBondContact O-N 3.38Å; A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.3Å; A179-A183 PolarHBondContact O-N 3.32Å |
| 180 | A | 66.6 | Low | 64.4 | Low | 64 Ų | 64 | 76.6 Ų | 76.6 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K176 A177 A183 A184 | K176-A180 WeakPolarHBondContact O-CB 3.19Å; K176-A180 PolarHBondContact O-N 2.97Å; A177-A180 PolarHBondContact O-N 3.4Å; A180-A183 PolarHBondContact O-N 2.85Å; A180-A184 WeakPolarHBondContact O-CB 3.32Å; A180-A184 PolarHBondContact O-N 3.42Å |
| 181 | A | 65.5 | Low | 63.7 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A177 D178 A184 A185 | A177-A181 WeakPolarHBondContact O-CB 3.29Å; A177-A181 PolarHBondContact O-N 2.92Å; D178-A181 PolarHBondContact O-N 3.48Å; A181-A184 PolarHBondContact O-N 2.91Å; A181-A185 WeakPolarHBondContact O-CB 3.44Å; A181-A185 PolarHBondContact O-N 3.48Å |
| 182 | A | 62.7 | Low | 63 | Low | 33 Ų | 33 | 78.5 Ų | 78.5 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D178 A179 A185 A186 | D178-A182 WeakPolarHBondContact O-CB 3.39Å; D178-A182 PolarHBondContact O-N 3.24Å; A179-A182 PolarHBondContact O-N 3.38Å; A182-A185 PolarHBondContact O-N 2.89Å; A182-A186 VanDerWaalsContact O-CB 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.4Å; A182-A186 PolarHBondContact O-N 2.79Å |
| 183 | A | 62 | Low | 62 | Low | 63 Ų | 63 | 75.7 Ų | 75.7 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A179 A180 A186 A187 | A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.3Å; A179-A183 PolarHBondContact O-N 3.32Å; A180-A183 PolarHBondContact O-N 2.85Å; A183-A186 PolarHBondContact O-N 3.4Å; A183-A187 VanDerWaalsContact O-CB 3.32Å; A183-A187 WeakPolarHBondContact O-CB 3.18Å; A183-A187 PolarHBondContact O-N 2.85Å |
| 184 | A | 61.7 | Low | 60.9 | Low | 65 Ų | 65 | 78.4 Ų | 78.4 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A180 A181 A187 A188 | A180-A184 WeakPolarHBondContact O-CB 3.32Å; A180-A184 PolarHBondContact O-N 3.42Å; A181-A184 PolarHBondContact O-N 2.91Å; A184-A187 PolarHBondContact O-N 3Å; A184-A188 PolarHBondContact O-N 3.44Å |
| 185 | A | 61.3 | Low | 59.7 | Low | 50 Ų | 50 | 83.6 Ų | 83.6 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A181 A182 A187 A188 E189 | A181-A185 WeakPolarHBondContact O-CB 3.44Å; A181-A185 PolarHBondContact O-N 3.48Å; A182-A185 PolarHBondContact O-N 2.89Å; A185-A187 VanDerWaalsContact C-N 3.32Å; A185-A187 PolarHBondContact O-N 3.34Å; A185-A188 WeakPolarHBondContact O-CB 3.31Å; A185-A188 PolarHBondContact O-N 3.4Å; A185-E189 PolarHBondContact O-N 2.96Å |
| 186 | A | 60.3 | Low | 58.3 | Low | 55 Ų | 55 | 92.5 Ų | 92.5 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.3 | -35 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A182 A183 E189 A190 | A182-A186 VanDerWaalsContact O-CB 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.4Å; A182-A186 PolarHBondContact O-N 2.79Å; A183-A186 PolarHBondContact O-N 3.4Å; A186-E189 PolarHBondContact O-N 2.76Å; A186-A190 VanDerWaalsContact O-CB 3.31Å; A186-A190 WeakPolarHBondContact O-CB 3.48Å; A186-A190 PolarHBondContact O-N 3.09Å |
| 187 | A | 59 | Low | 57.7 | Low | 57 Ų | 57 | 90.1 Ų | 90.1 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.3 | -40.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A183 A184 A185 A190 T191 | A183-A187 VanDerWaalsContact O-CB 3.32Å; A183-A187 WeakPolarHBondContact O-CB 3.18Å; A183-A187 PolarHBondContact O-N 2.85Å; A184-A187 PolarHBondContact O-N 3Å; A185-A187 VanDerWaalsContact C-N 3.32Å; A185-A187 PolarHBondContact O-N 3.34Å; A187-A190 PolarHBondContact O-N 3.22Å; A187-T191 PolarHBondContact O-N 3.14Å; A187-T191 PolarHBondContact O-OG1 3.01Å; A187-T191 VanDerWaalsContact O-OG1 3.14Å |
| 188 | A | 57.3 | Low | 57.1 | Low | 56 Ų | 56 | 91.7 Ų | 91.7 | 46% | 0.463 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -43.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A184 A185 T191 A192 | A184-A188 PolarHBondContact O-N 3.44Å; A185-A188 WeakPolarHBondContact O-CB 3.31Å; A185-A188 PolarHBondContact O-N 3.4Å; A188-T191 WeakPolarHBondContact CA-OG1 3.4Å; A188-T191 PolarHBondContact O-N 3.48Å; A188-T191 PolarHBondContact O-OG1 3.48Å; A188-A192 PolarHBondContact O-N 2.92Å; A188-A192 VanDerWaalsContact O-N 3.09Å |
| 189 | E | 56.4 | Low | 56.6 | Low | 152 Ų | 152 | 94 Ų | 94 | 71% | 0.71 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.6 | -38.2 | 174.8 | -79 | -178.8 | 157.2 | 0 | 0 | 112.5 | A185 A186 T191 A192 G193 | A185-E189 PolarHBondContact O-N 2.96Å; A186-E189 PolarHBondContact O-N 2.76Å; E189-T191 VanDerWaalsContact C-N 3.34Å; E189-T191 PolarHBondContact O-N 3.19Å; E189-A192 PolarHBondContact O-N 3.47Å; E189-G193 PolarHBondContact O-N 3.29Å |
| 190 | A | 55.6 | Low | 56 | Low | 68 Ų | 68 | 96.2 Ų | 96.2 | 56% | 0.562 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.3 | -33.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A186 A187 | A186-A190 VanDerWaalsContact O-CB 3.31Å; A186-A190 WeakPolarHBondContact O-CB 3.48Å; A186-A190 PolarHBondContact O-N 3.09Å; A187-A190 PolarHBondContact O-N 3.22Å |
| 191 | T | 53.6 | Low | 55.4 | Low | 100 Ų | 100 | 98.3 Ų | 98.3 | 61% | 0.613 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.4 | -27.2 | 172.2 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | A187 A188 E189 | A187-T191 PolarHBondContact O-N 3.14Å; A187-T191 PolarHBondContact O-OG1 3.01Å; A187-T191 VanDerWaalsContact O-OG1 3.14Å; A188-T191 WeakPolarHBondContact CA-OG1 3.4Å; A188-T191 PolarHBondContact O-N 3.48Å; A188-T191 PolarHBondContact O-OG1 3.48Å; E189-T191 VanDerWaalsContact C-N 3.34Å; E189-T191 PolarHBondContact O-N 3.19Å |
| 192 | A | 52.4 | Low | 54.7 | Low | 67 Ų | 67 | 101.1 Ų | 101.1 | 55% | 0.554 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.7 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A188 E189 K194 R195 | A188-A192 PolarHBondContact O-N 2.92Å; A188-A192 VanDerWaalsContact O-N 3.09Å; E189-A192 PolarHBondContact O-N 3.47Å; A192-K194 PolarHBondContact O-N 2.94Å; A192-R195 PolarHBondContact O-N 3.29Å |
| 193 | G | 47.9 | Very low | 54.1 | Low | 59 Ų | 59 | 105.9 Ų | 105.9 | 61% | 0.608 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.4 | -16.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E189 R195 | E189-G193 PolarHBondContact O-N 3.29Å; G193-R195 VanDerWaalsContact C-N 3.35Å |
| 194 | K | 47.3 | Very low | 53.5 | Low | 195 Ų | 195 | 109.2 Ų | 109.2 | 85% | 0.848 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -2.1 | 177.5 | -136.8 | 174.6 | -174 | 179.9 | 0 | 113.8 | A192 | A192-K194 PolarHBondContact O-N 2.94Š|
| 195 | R | 44.2 | Very low | 52.8 | Low | 235 Ų | 235 | 112.9 Ų | 112.9 | 89% | 0.887 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 9.9 | -179.2 | -83.5 | -174.7 | 172.9 | 172.4 | -1 | 114.1 | A192 G193 | A192-R195 PolarHBondContact O-N 3.29Å; G193-R195 VanDerWaalsContact C-N 3.35Å |
| 196 | K | 38.6 | Very low | 52 | Low | 261 Ų | 261 | 118.6 Ų | 118.6 | 100% | 1.135 | 66% | 0.664 | S | S | * | * | trans | -118.4 | 0 | 176.6 | -133.6 | -175.5 | -174.3 | -176.2 | 0 | 111.3 |
Retrieved 196 of 196 residues in 582.6 ms
(Link to these results)