| 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 | 46.6 | Very low | 52.1 | Low | 187 Ų | 187 | 125.2 Ų | 125.2 | 92% | 0.921 | 58% | 0.584 | S | S | * | * | 0 | -42.5 | 0 | -142.3 | 176.3 | -74 | 0 | 0 | 111.5 | R3 L4 F5 | M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.43Å; M1-R3 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-F5 PolarHBondContact O-N 3.13Å | |||
| 2 | E | 47.5 | Very low | 51 | Low | 159 Ų | 159 | 125.3 Ų | 125.3 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -50.2 | -37.7 | 176.1 | -70.1 | -178.5 | 143.3 | 0 | 0 | 115.1 | L4 F5 N6 | E2-L4 PolarHBondContact O-N 3.08Å; E2-F5 PolarHBondContact O-N 2.87Å; E2-N6 WeakPolarHBondContact O-CB 3.5Å; E2-N6 VanDerWaalsContact O-CG 3.24Å; E2-N6 PolarHBondContact O-N 3.43Å; E2-N6 PolarHBondContact O-ND2 3.38Å |
| 3 | R | 56.6 | Low | 50.3 | Low | 228 Ų | 228 | 123.8 Ų | 123.8 | 86% | 0.86 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.6 | -33.6 | -175.7 | -145.2 | 177.7 | -174.8 | -171.6 | 1.9 | 113.8 | M1 W7 | M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.43Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-W7 VanDerWaalsContact O-CB 3.27Å; R3-W7 WeakPolarHBondContact O-CB 3.3Å; R3-W7 PolarHBondContact O-N 3.26Å; R3-W7 VanDerWaalsContact O-N 3.08Å |
| 4 | L | 50.5 | Low | 49.6 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -77.5 | -41.6 | 177.1 | -172.6 | 74.1 | 0 | 0 | 0 | 110.7 | M1 E2 W7 M8 I79 | M1-L4 PolarHBondContact O-N 2.94Å; E2-L4 PolarHBondContact O-N 3.08Å; L4-W7 HydrophobicContact CD1-CE3 4.49Å; L4-W7 PolarHBondContact O-N 3.17Å; L4-M8 WeakPolarHBondContact O-CG 3.22Å; L4-M8 PolarHBondContact O-N 2.93Å; L4-I79 HydrophobicContact CD2-CD1 4.11Å |
| 5 | F | 47.7 | Very low | 48.9 | Very low | 116 Ų | 116 | 121 Ų | 121 | 51% | 0.509 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.4 | -47 | 175.8 | -122.4 | -89.7 | 0 | 0 | 0 | 111.4 | M1 E2 W7 M8 L9 | M1-F5 PolarHBondContact O-N 3.13Å; E2-F5 PolarHBondContact O-N 2.87Å; F5-W7 VanDerWaalsContact C-N 3.29Å; F5-W7 PolarHBondContact O-N 3.49Å; F5-M8 HydrophobicContact CD2-CE 3.86Å; F5-M8 HydrophobicContact CE2-CE 4.15Å; F5-M8 HydrophobicContact CG-CE 4.1Å; F5-M8 PolarHBondContact O-N 3.25Å; F5-L9 HydrophobicContact CD1-CD1 4.22Å; F5-L9 WeakPolarHBondContact O-CB 3.27Å; F5-L9 VanDerWaalsContact O-CG 3.3Å; F5-L9 WeakPolarHBondContact O-CG 3.16Å; F5-L9 PolarHBondContact O-N 3.16Å |
| 6 | N | 54.4 | Low | 48.4 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.9 | -37 | 173.8 | -73.7 | -17.2 | 0 | 0 | 0 | 111.8 | E2 L9 S10 | E2-N6 WeakPolarHBondContact O-CB 3.5Å; E2-N6 VanDerWaalsContact O-CG 3.24Å; E2-N6 PolarHBondContact O-N 3.43Å; E2-N6 PolarHBondContact O-ND2 3.38Å; N6-L9 PolarHBondContact O-N 3.39Å; N6-S10 WeakPolarHBondContact O-CB 3.49Å; N6-S10 PolarHBondContact O-N 2.81Å; N6-S10 PolarHBondContact O-OG 3.19Å |
| 7 | W | 61.2 | Low | 48.1 | Very low | 135 Ų | 135 | 119.4 Ų | 119.4 | 51% | 0.511 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.6 | -44.1 | 173.9 | 178 | 85.2 | 0 | 0 | 0 | 112.3 | R3 L4 F5 S10 | R3-W7 VanDerWaalsContact O-CB 3.27Å; R3-W7 WeakPolarHBondContact O-CB 3.3Å; R3-W7 PolarHBondContact O-N 3.26Å; R3-W7 VanDerWaalsContact O-N 3.08Å; L4-W7 HydrophobicContact CD1-CE3 4.49Å; L4-W7 PolarHBondContact O-N 3.17Å; F5-W7 VanDerWaalsContact C-N 3.29Å; F5-W7 PolarHBondContact O-N 3.49Å; W7-S10 WeakPolarHBondContact CA-OG 3.49Å; W7-S10 PolarHBondContact O-N 3.39Å; W7-S10 PolarHBondContact O-OG 3.08Å |
| 8 | M | 52.8 | Low | 48.1 | Very low | 56 Ų | 56 | 115.2 Ų | 115.2 | 28% | 0.276 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.3 | -40.9 | 176.1 | -70.9 | -173.9 | -60.5 | 0 | 0 | 112.4 | L4 F5 S10 I79 | L4-M8 WeakPolarHBondContact O-CG 3.22Å; L4-M8 PolarHBondContact O-N 2.93Å; F5-M8 HydrophobicContact CD2-CE 3.86Å; F5-M8 HydrophobicContact CE2-CE 4.15Å; F5-M8 HydrophobicContact CG-CE 4.1Å; F5-M8 PolarHBondContact O-N 3.25Å; M8-S10 VanDerWaalsContact C-N 3.33Å; M8-I79 HydrophobicContact CE-CD1 4.26Å; M8-I79 HydrophobicContact SD-CD1 3.84Å; M8-I79 HydrophobicContact SD-CG1 4.15Å; M8-I79 HydrophobicContact SD-CG2 3.82Å |
| 9 | L | 51.6 | Low | 48.4 | Very low | 129 Ų | 129 | 113.8 Ų | 113.8 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.6 | -26.7 | 176.7 | -66.1 | 172.2 | 0 | 0 | 0 | 112.6 | F5 N6 R11 | F5-L9 HydrophobicContact CD1-CD1 4.22Å; F5-L9 WeakPolarHBondContact O-CB 3.27Å; F5-L9 VanDerWaalsContact O-CG 3.3Å; F5-L9 WeakPolarHBondContact O-CG 3.16Å; F5-L9 PolarHBondContact O-N 3.16Å; N6-L9 PolarHBondContact O-N 3.39Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.32Å |
| 10 | S | 56 | Low | 49 | Very low | 78 Ų | 78 | 109.7 Ų | 109.7 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -8.8 | 179.2 | 73.9 | 0 | 0 | 0 | 0 | 114.6 | N6 W7 M8 N12 | N6-S10 WeakPolarHBondContact O-CB 3.49Å; N6-S10 PolarHBondContact O-N 2.81Å; N6-S10 PolarHBondContact O-OG 3.19Å; W7-S10 WeakPolarHBondContact CA-OG 3.49Å; W7-S10 PolarHBondContact O-N 3.39Å; W7-S10 PolarHBondContact O-OG 3.08Å; M8-S10 VanDerWaalsContact C-N 3.33Å; S10-N12 PolarHBondContact O-N 2.87Å |
| 11 | R | 48 | Very low | 49.8 | Very low | 100 Ų | 100 | 110.8 Ų | 110.8 | 38% | 0.377 | 57% | 0.565 | S | S | . | * | trans | -70.6 | 87.8 | 173.1 | -72.3 | -112.7 | -157.4 | 151.7 | 10 | 109.2 | L9 Q15 | L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.32Å; R11-Q15 VanDerWaalsContact CZ-OE1 3.25Å | ||
| 12 | N | 39 | Very low | 50.5 | Low | 126 Ų | 126 | 101.9 Ų | 101.9 | 67% | 0.674 | 52% | 0.521 | S | S | * | . | trans | -55.3 | 153.7 | 168.3 | -141 | -7.9 | 0 | 0 | 0 | 109.5 | S10 S14 | S10-N12 PolarHBondContact O-N 2.87Å; N12-S14 PolarHBondContact O-N 3.14Å | ||
| 13 | S | 42.6 | Very low | 51.5 | Low | 106 Ų | 106 | 95.8 Ų | 95.8 | 74% | 0.741 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 8.6 | -168 | 57.2 | 0 | 0 | 0 | 0 | 118.5 | ||
| 14 | S | 40.6 | Very low | 51.8 | Low | 104 Ų | 104 | 91.4 Ų | 91.4 | 73% | 0.727 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.8 | -178.1 | 58 | 0 | 0 | 0 | 0 | 114.7 | N12 | N12-S14 PolarHBondContact O-N 3.14Š|
| 15 | Q | 38.9 | Very low | 52.5 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -121.6 | 113.5 | 171.9 | -73 | -176 | -27.5 | 0 | 0 | 109.1 | R11 T17 | R11-Q15 VanDerWaalsContact CZ-OE1 3.25Å; Q15-T17 VanDerWaalsContact C-N 3.26Å; Q15-T17 PolarHBondContact O-N 2.97Å |
| 16 | P | 40.4 | Very low | 53.4 | Low | 118 Ų | 118 | 84.2 Ų | 84.2 | 77% | 0.766 | 46% | 0.459 | S | S | * | . | trans | -68.3 | 86.6 | -179.8 | 28.2 | -32.9 | 0 | 0 | 0 | 109 | ||||
| 17 | T | 42.9 | Very low | 54 | Low | 97 Ų | 97 | 80.5 Ų | 80.5 | 60% | 0.595 | 44% | 0.439 | S | S | * | . | trans | -79.8 | -14.4 | 161.3 | 41.3 | 0 | 0 | 0 | 0 | 111.1 | Q15 L19 | Q15-T17 VanDerWaalsContact C-N 3.26Å; Q15-T17 PolarHBondContact O-N 2.97Å; T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 2.84Å; T17-L19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | Q | 49.6 | Very low | 54.2 | Low | 44 Ų | 44 | 81.9 Ų | 81.9 | 21% | 0.206 | 44% | 0.444 | C | S | . | . | trans | -79.5 | 86 | 163.3 | -60.5 | -166.8 | 33.1 | 0 | 0 | 107.6 | L20 E21 | Q18-L20 PolarHBondContact O-N 2.86Å; Q18-L20 VanDerWaalsContact O-N 3.07Å; Q18-E21 HydrophobicContact CB-CG 3.67Å; Q18-E21 HydrophobicContact CG-CG 4.39Å; Q18-E21 VanDerWaalsContact OE1-CG 3.24Å; Q18-E21 PolarHBondContact OE1-OE1 3.04Å | ||
| 19 | L | 53.4 | Low | 54.8 | Low | 88 Ų | 88 | 87 Ų | 87 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -54.4 | -23.9 | 169.2 | -161.3 | 87.4 | 0 | 0 | 0 | 110.8 | T17 Y108 | T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 2.84Å; T17-L19 VanDerWaalsContact O-N 3.09Å; L19-Y108 HydrophobicContact CD1-CE1 4.31Å; L19-Y108 HydrophobicContact CD2-CD1 3.33Å; L19-Y108 HydrophobicContact CD2-CE1 3.27Å; L19-Y108 HydrophobicContact CD2-CG 4.16Å; L19-Y108 HydrophobicContact CG-CE1 4.38Å |
| 20 | L | 59.9 | Low | 55.7 | Low | 32 Ų | 32 | 83.8 Ų | 83.8 | 17% | 0.168 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -139.6 | 115.6 | 174.7 | -56.7 | 165 | 0 | 0 | 0 | 107.2 | Q18 P22 W70 I129 V131 | Q18-L20 PolarHBondContact O-N 2.86Å; Q18-L20 VanDerWaalsContact O-N 3.07Å; L20-P22 WeakPolarHBondContact O-CD 3.4Å; L20-W70 HydrophobicContact CB-CH2 4.25Å; L20-W70 HydrophobicContact CB-CZ3 4.28Å; L20-W70 HydrophobicContact CD1-CH2 4.46Å; L20-W70 HydrophobicContact CD1-CZ3 4.1Å; L20-W70 HydrophobicContact CD2-CH2 4.41Å; L20-I129 HydrophobicContact CD1-CD1 3.61Å; L20-I129 HydrophobicContact CD1-CG1 4.48Å; L20-V131 HydrophobicContact CD1-CB 3.95Å; L20-V131 HydrophobicContact CD1-CG1 3.56Å; L20-V131 HydrophobicContact CD2-CB 3.7Å; L20-V131 HydrophobicContact CD2-CG1 3.88Å; L20-V131 HydrophobicContact CG-CB 4.47Å; L20-V131 HydrophobicContact CG-CG1 4.27Å |
| 21 | E | 65.4 | Low | 56.1 | Low | 133 Ų | 133 | 84.2 Ų | 84.2 | 62% | 0.621 | 44% | 0.444 | S | S | * | . | trans | -89.3 | 108.3 | 163.2 | -56.4 | -150 | 141 | 0 | 0 | 106.1 | Q18 D23 | Q18-E21 HydrophobicContact CB-CG 3.67Å; Q18-E21 HydrophobicContact CG-CG 4.39Å; Q18-E21 VanDerWaalsContact OE1-CG 3.24Å; Q18-E21 PolarHBondContact OE1-OE1 3.04Å; E21-D23 VanDerWaalsContact C-N 3.29Å; E21-D23 PolarHBondContact O-N 2.68Å | ||
| 22 | P | 62.7 | Low | 56.9 | Low | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 46% | 0.464 | C | S | . | . | trans | -73.2 | 90.9 | 179.2 | 4.6 | 12.1 | 0 | 0 | 0 | 106.7 | L20 N24 V25 W70 P84 | L20-P22 WeakPolarHBondContact O-CD 3.4Å; P22-N24 PolarHBondContact O-N 3.24Å; P22-V25 HydrophobicContact CB-CB 4.15Å; P22-V25 HydrophobicContact CB-CG2 4.35Å; P22-V25 HydrophobicContact CG-CB 3.9Å; P22-V25 HydrophobicContact CG-CG1 4.46Å; P22-V25 VanDerWaalsContact O-CB 3.28Å; P22-V25 WeakPolarHBondContact O-CB 3.23Å; P22-V25 VanDerWaalsContact O-CG2 3.3Å; P22-V25 WeakPolarHBondContact O-CG2 3.46Å; P22-V25 PolarHBondContact O-N 3.41Å; P22-W70 HydrophobicContact CB-CB 3.88Å; P22-W70 HydrophobicContact CB-CD2 3.5Å; P22-W70 HydrophobicContact CB-CE3 4.06Å; P22-W70 HydrophobicContact CB-CG 3.4Å; P22-W70 HydrophobicContact CB-CZ2 4.48Å; P22-P84 HydrophobicContact CB-CB 4.31Å; P22-P84 HydrophobicContact CG-CB 3.54Å; P22-P84 HydrophobicContact CG-CG 3.48Å; P22-P84 VanDerWaalsContact CG-CG 3.48Å | ||
| 23 | D | 67.1 | Low | 58.1 | Low | 31 Ų | 31 | 85.2 Ų | 85.2 | 17% | 0.166 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 41.2 | 59 | 160.4 | -66.8 | -36.1 | 0 | 0 | 0 | 113.6 | E21 Y59 S61 W70 | E21-D23 VanDerWaalsContact C-N 3.29Å; E21-D23 PolarHBondContact O-N 2.68Å; D23-Y59 HydrophobicContact CB-CD1 3.29Å; D23-Y59 HydrophobicContact CB-CD2 3.97Å; D23-Y59 HydrophobicContact CB-CE1 3.58Å; D23-Y59 HydrophobicContact CB-CE2 4.22Å; D23-Y59 HydrophobicContact CB-CG 3.5Å; D23-Y59 VanDerWaalsContact CB-CG 3.5Å; D23-Y59 VanDerWaalsContact CG-CB 3.47Å; D23-Y59 VanDerWaalsContact CG-CD1 3.45Å; D23-Y59 PolarHBondContact O-OH 3.24Å; D23-Y59 WeakPolarHBondContact OD1-CD1 3.28Å; D23-S61 PolarHBondContact OD2-OG 3.07Å; D23-W70 PolarHBondContact OD2-NE1 3.37Å |
| 24 | N | 64.1 | Low | 59.3 | Low | 136 Ų | 136 | 86.5 Ų | 86.5 | 73% | 0.727 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 13 | -177.1 | -59.3 | -42.6 | 0 | 0 | 0 | 118.2 | P22 A26 Y59 | P22-N24 PolarHBondContact O-N 3.24Å; N24-A26 PolarHBondContact O-N 3.01Å; N24-Y59 WeakPolarHBondContact ND2-CE1 3.3Å; N24-Y59 PolarHBondContact ND2-OH 3.1Å |
| 25 | V | 63.6 | Low | 60.9 | Low | 25 Ų | 25 | 83 Ų | 83 | 15% | 0.152 | 44% | 0.437 | C | S | . | . | trans | -84.6 | 101.5 | 171.2 | -179 | 0 | 0 | 0 | 0 | 110.5 | P22 L27 H42 | P22-V25 HydrophobicContact CB-CB 4.15Å; P22-V25 HydrophobicContact CB-CG2 4.35Å; P22-V25 HydrophobicContact CG-CB 3.9Å; P22-V25 HydrophobicContact CG-CG1 4.46Å; P22-V25 VanDerWaalsContact O-CB 3.28Å; P22-V25 WeakPolarHBondContact O-CB 3.23Å; P22-V25 VanDerWaalsContact O-CG2 3.3Å; P22-V25 WeakPolarHBondContact O-CG2 3.46Å; P22-V25 PolarHBondContact O-N 3.41Å; V25-L27 HydrophobicContact CG1-CD2 3.92Å; V25-L27 PolarHBondContact O-N 3.11Å; V25-H42 HydrophobicContact CG2-CB 3.6Å | ||
| 26 | A | 68.3 | Low | 63.1 | Low | 29 Ų | 29 | 81.6 Ų | 81.6 | 24% | 0.24 | 44% | 0.437 | C | S | . | . | trans | -82.5 | 96.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N24 R28 Y29 | N24-A26 PolarHBondContact O-N 3.01Å; A26-R28 HydrophobicContact CB-CG 4.29Å; A26-R28 PolarHBondContact O-N 2.98Å; A26-Y29 HydrophobicContact CB-CD2 3.41Å; A26-Y29 VanDerWaalsContact CB-CD2 3.41Å; A26-Y29 HydrophobicContact CB-CE2 3.45Å; A26-Y29 VanDerWaalsContact CB-CE2 3.45Å; A26-Y29 WeakPolarHBondContact O-CD2 3.41Å; A26-Y29 PolarHBondContact O-N 3.25Å | ||
| 27 | L | 66.7 | Low | 65.5 | Low | 22 Ų | 22 | 81.2 Ų | 81.2 | 12% | 0.115 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -53.9 | -24.4 | -177.1 | -58.8 | 171.9 | 0 | 0 | 0 | 114.2 | V25 Y29 L30 L41 I82 P84 | V25-L27 HydrophobicContact CG1-CD2 3.92Å; V25-L27 PolarHBondContact O-N 3.11Å; L27-Y29 PolarHBondContact O-N 3.07Å; L27-L30 HydrophobicContact CD2-CD1 4Å; L27-L30 PolarHBondContact O-N 3.17Å; L27-L41 HydrophobicContact CD2-CD1 3.92Å; L27-L41 HydrophobicContact CD2-CD2 4.16Å; L27-I82 HydrophobicContact CD1-CG2 4.04Å; L27-I82 HydrophobicContact CD2-CG2 4Å; L27-I82 HydrophobicContact CG-CG2 4.45Å; L27-P84 HydrophobicContact CD1-CG 3.57Å; L27-P84 HydrophobicContact CD2-CG 4.24Å; L27-P84 HydrophobicContact CG-CG 4.34Å |
| 28 | R | 65.5 | Low | 67.8 | Low | 164 Ų | 164 | 78.1 Ų | 78.1 | 62% | 0.619 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -61.8 | -17.3 | 177.6 | 68.4 | -175.2 | 179.7 | -154.9 | -1.2 | 114.6 | A26 | A26-R28 HydrophobicContact CB-CG 4.29Å; A26-R28 PolarHBondContact O-N 2.98Å |
| 29 | Y | 65.6 | Low | 69.6 | Low | 163 Ų | 163 | 77 Ų | 77 | 64% | 0.639 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -95.8 | -0.6 | -178.7 | -59.9 | -65.3 | 0 | 0 | 0 | 113.7 | A26 L27 T31 | A26-Y29 HydrophobicContact CB-CD2 3.41Å; A26-Y29 VanDerWaalsContact CB-CD2 3.41Å; A26-Y29 HydrophobicContact CB-CE2 3.45Å; A26-Y29 VanDerWaalsContact CB-CE2 3.45Å; A26-Y29 WeakPolarHBondContact O-CD2 3.41Å; A26-Y29 PolarHBondContact O-N 3.25Å; L27-Y29 PolarHBondContact O-N 3.07Å; Y29-T31 PolarHBondContact O-N 2.96Å |
| 30 | L | 69 | Low | 71.4 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | trans | -79.1 | 122.5 | 178.3 | -63.2 | 170.4 | 0 | 0 | 0 | 109.8 | L27 L35 L41 M72 | L27-L30 HydrophobicContact CD2-CD1 4Å; L27-L30 PolarHBondContact O-N 3.17Å; L30-L35 HydrophobicContact CB-CD2 3.72Å; L30-L35 HydrophobicContact CD1-CD2 4.44Å; L30-L41 HydrophobicContact CD1-CD2 3.82Å; L30-M72 HydrophobicContact CD1-CE 3.6Å | ||
| 31 | T | 65.4 | Low | 72.6 | Confident | 87 Ų | 87 | 76.3 Ų | 76.3 | 53% | 0.534 | 41% | 0.411 | S | S | . | . | trans | -79.3 | 149.9 | 179 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | Y29 G33 H34 | Y29-T31 PolarHBondContact O-N 2.96Å; T31-G33 PolarHBondContact O-N 2.91Å; T31-G33 VanDerWaalsContact O-N 3.08Å; T31-H34 PolarHBondContact O-N 3.28Å; T31-H34 PolarHBondContact OG1-ND1 2.72Å | ||
| 32 | E | 63.6 | Low | 73.6 | Confident | 170 Ų | 170 | 72.3 Ų | 72.3 | 79% | 0.794 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -52.3 | -36.5 | -173.4 | -70.3 | -177.1 | 165.9 | 0 | 0 | 113.9 | H34 L35 | E32-H34 PolarHBondContact O-N 3.43Å; E32-H34 VanDerWaalsContact O-N 3.13Å; E32-L35 PolarHBondContact O-N 3.48Å |
| 33 | G | 65.5 | Low | 74.8 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 79% | 0.794 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -66.2 | -11.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | T31 | T31-G33 PolarHBondContact O-N 2.91Å; T31-G33 VanDerWaalsContact O-N 3.08Å |
| 34 | H | 66.7 | Low | 75.9 | Confident | 133 Ų | 133 | 76.5 Ų | 76.5 | 62% | 0.616 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -112.1 | 3.1 | -179.4 | -60.4 | 92.1 | 0 | 0 | 0 | 113 | T31 E32 C36 | T31-H34 PolarHBondContact O-N 3.28Å; T31-H34 PolarHBondContact OG1-ND1 2.72Å; E32-H34 PolarHBondContact O-N 3.43Å; E32-H34 VanDerWaalsContact O-N 3.13Å; H34-C36 PolarHBondContact O-N 3.26Å; H34-C36 VanDerWaalsContact O-N 3.14Å |
| 35 | L | 75.3 | Confident | 77.4 | Confident | 30 Ų | 30 | 75.9 Ų | 75.9 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | trans | -83.4 | 91.2 | -179.7 | -60 | -178.3 | 0 | 0 | 0 | 110.1 | L30 E32 M72 Y74 I82 | L30-L35 HydrophobicContact CB-CD2 3.72Å; L30-L35 HydrophobicContact CD1-CD2 4.44Å; E32-L35 PolarHBondContact O-N 3.48Å; L35-M72 HydrophobicContact CB-SD 4.45Å; L35-M72 HydrophobicContact CD2-CE 3.9Å; L35-M72 HydrophobicContact CD2-SD 4.07Å; L35-Y74 HydrophobicContact CB-CD1 4.18Å; L35-Y74 HydrophobicContact CB-CD2 4.31Å; L35-Y74 HydrophobicContact CB-CE1 3.92Å; L35-Y74 HydrophobicContact CB-CE2 4.05Å; L35-Y74 HydrophobicContact CB-CG 4.36Å; L35-Y74 HydrophobicContact CD1-CE2 3.9Å; L35-Y74 WeakPolarHBondContact O-CD1 3.37Å; L35-I82 HydrophobicContact CD1-CD1 4.21Å; L35-I82 HydrophobicContact CD2-CD1 3.54Å; L35-I82 HydrophobicContact CD2-CG1 4.31Å | ||
| 36 | C | 85.4 | Confident | 78.9 | Confident | 73 Ų | 73 | 80.1 Ų | 80.1 | 49% | 0.493 | 43% | 0.43 | S | S | . | . | trans | -123.8 | 135.4 | 172.3 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | H34 G38 A39 | H34-C36 PolarHBondContact O-N 3.26Å; H34-C36 VanDerWaalsContact O-N 3.14Å; C36-G38 PolarHBondContact O-N 2.81Å; C36-A39 VanDerWaalsContact O-CB 3.22Å; C36-A39 WeakPolarHBondContact O-CB 3.24Å; C36-A39 PolarHBondContact O-N 2.81Å; C36-A39 VanDerWaalsContact O-N 3.09Å | ||
| 37 | N | 89.6 | Confident | 80.1 | Confident | 109 Ų | 109 | 81.9 Ų | 81.9 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 130.8 | 176.8 | -170.6 | 45 | 0 | 0 | 0 | 109.9 | M72 N73 Y74 | N37-M72 PolarHBondContact OD1-O 2.82Å; N37-N73 VanDerWaalsContact OD1-CA 3.3Å; N37-N73 WeakPolarHBondContact OD1-CA 3.4Å; N37-Y74 PolarHBondContact OD1-N 2.85Å |
| 38 | G | 90.7 | Very high | 81.4 | Confident | 33 Ų | 33 | 83 Ų | 83 | 34% | 0.34 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -0.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | C36 M72 | C36-G38 PolarHBondContact O-N 2.81Å; G38-M72 WeakPolarHBondContact CA-O 3.4Å; G38-M72 PolarHBondContact N-O 2.77Å |
| 39 | A | 89.1 | Confident | 82.5 | Confident | 19 Ų | 19 | 82 Ų | 82 | 16% | 0.157 | 46% | 0.46 | C | S | . | . | trans | -54 | 142.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C36 L41 K71 M72 | C36-A39 VanDerWaalsContact O-CB 3.22Å; C36-A39 WeakPolarHBondContact O-CB 3.24Å; C36-A39 PolarHBondContact O-N 2.81Å; C36-A39 VanDerWaalsContact O-N 3.09Å; A39-L41 PolarHBondContact O-N 3.39Å; A39-K71 CarbonylContact O-C 3.5Å; A39-K71 VanDerWaalsContact O-CA 3.24Å; A39-K71 WeakPolarHBondContact O-CA 3.22Å; A39-M72 HydrophobicContact CB-CB 3.95Å; A39-M72 HydrophobicContact CB-CE 4.34Å; A39-M72 PolarHBondContact O-N 3.09Å | ||
| 40 | L | 89.5 | Confident | 83.5 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.1 | 168.7 | -177.4 | 65.1 | 0 | 0 | 0 | 108.5 | R45 Y69 | L40-R45 HydrophobicContact CD1-CG 4.3Å; L40-Y69 HydrophobicContact CD1-CD2 3.53Å; L40-Y69 HydrophobicContact CD1-CE2 4.28Å; L40-Y69 HydrophobicContact CD1-CG 4.25Å |
| 41 | L | 85.5 | Confident | 84.2 | Confident | 29 Ų | 29 | 80.3 Ų | 80.3 | 15% | 0.152 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -48.1 | 173.4 | -69.6 | 176 | 0 | 0 | 0 | 111 | L27 L30 A39 W70 M72 P84 | L27-L41 HydrophobicContact CD2-CD1 3.92Å; L27-L41 HydrophobicContact CD2-CD2 4.16Å; L30-L41 HydrophobicContact CD1-CD2 3.82Å; A39-L41 PolarHBondContact O-N 3.39Å; L41-W70 HydrophobicContact CB-CB 4.06Å; L41-W70 WeakPolarHBondContact CB-O 3.36Å; L41-W70 PolarHBondContact N-O 2.94Å; L41-M72 HydrophobicContact CD1-CB 4.16Å; L41-M72 HydrophobicContact CD2-CB 4.03Å; L41-M72 HydrophobicContact CD2-CE 3.58Å; L41-M72 HydrophobicContact CD2-CG 4.4Å; L41-M72 HydrophobicContact CG-CB 3.96Å; L41-P84 HydrophobicContact CD1-CB 4.17Å |
| 42 | H | 87.2 | Confident | 84.9 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 23% | 0.227 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 158.6 | -176.9 | -175.2 | 73.8 | 0 | 0 | 0 | 111.5 | V25 Y59 Y69 W70 | V25-H42 HydrophobicContact CG2-CB 3.6Å; H42-Y59 AromaticContact CE1-CE2 3.55Å; H42-Y59 AromaticContact NE2-CD2 3.34Å; H42-Y59 VanDerWaalsContact NE2-CD2 3.34Å; H42-Y59 WeakPolarHBondContact NE2-CD2 3.18Å; H42-Y59 AromaticContact NE2-CE2 3.28Å; H42-Y59 VanDerWaalsContact NE2-CE2 3.28Å; H42-Y59 WeakPolarHBondContact NE2-CE2 3.46Å; H42-Y69 WeakPolarHBondContact O-CB 3.5Å; H42-W70 HydrophobicContact CB-CB 4.33Å; H42-W70 PolarHBondContact N-O 3.38Å; H42-W70 PolarHBondContact O-N 2.67Å |
| 43 | G | 88 | Confident | 85.3 | Confident | 24 Ų | 24 | 77.5 Ų | 77.5 | 25% | 0.247 | 45% | 0.454 | C | S | . | . | S | Bend | trans | 88.8 | 173.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 44 | N | 90.8 | Very high | 85.3 | Confident | 95 Ų | 95 | 75.9 Ų | 75.9 | 51% | 0.508 | 43% | 0.431 | S | S | . | . | trans | -97.8 | 138.4 | 178.1 | -166.4 | -9.7 | 0 | 0 | 0 | 111.1 | D46 Y69 | N44-D46 PolarHBondContact OD1-N 3.36Å; N44-Y69 WeakPolarHBondContact O-CB 3.5Å; N44-Y69 WeakPolarHBondContact O-CD1 3.42Å | ||
| 45 | R | 94 | Very high | 85.1 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 46% | 0.46 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -78.4 | -25.1 | 175.4 | -65.1 | -176.8 | 175 | -171.5 | -2.2 | 112.5 | L40 Y69 | L40-R45 HydrophobicContact CD1-CG 4.3Å; R45-Y69 HydrophobicContact CB-CE1 4.3Å; R45-Y69 HydrophobicContact CG-CD1 4.38Å; R45-Y69 HydrophobicContact CG-CD2 4.09Å; R45-Y69 HydrophobicContact CG-CE1 4.22Å; R45-Y69 HydrophobicContact CG-CE2 3.86Å; R45-Y69 HydrophobicContact CG-CG 4.33Å |
| 46 | D | 94.9 | Very high | 84.7 | Confident | 115 Ų | 115 | 78.4 Ų | 78.4 | 62% | 0.615 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -78.3 | 134.6 | -176.4 | -59.8 | -33.7 | 0 | 0 | 0 | 110.4 | N44 P48 | N44-D46 PolarHBondContact OD1-N 3.36Å; D46-P48 WeakPolarHBondContact O-CD 3.43Å |
| 47 | C | 94.4 | Very high | 83.8 | Confident | 65 Ų | 65 | 83.9 Ų | 83.9 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 119.6 | 173.3 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | A89 C90 | C47-A89 WeakPolarHBondContact CB-O 3.05Å; C47-C90 WeakPolarHBondContact CA-SG 3.48Å; C47-C90 HydrophobicContact CB-CB 3.98Å; C47-C90 WeakPolarHBondContact CB-SG 3.39Å; C47-C90 WeakPolarHBondContact SG-CB 3.29Å; C47-C90 CovalentContact SG-SG 2.03Å; C47-C90 PolarHBondContact SG-SG 2.85Å |
| 48 | P | 93 | Very high | 83 | Confident | 47 Ų | 47 | 80.5 Ų | 80.5 | 31% | 0.305 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 155.4 | 177.4 | 29.5 | -32.2 | 0 | 0 | 0 | 110.4 | D46 E50 P67 L94 | D46-P48 WeakPolarHBondContact O-CD 3.43Å; P48-E50 VanDerWaalsContact C-N 3.33Å; P48-P67 HydrophobicContact CG-CG 3.85Å; P48-L94 HydrophobicContact CG-CD1 3.72Å; P48-L94 WeakPolarHBondContact O-CD2 3.12Å |
| 49 | T | 89 | Confident | 82.6 | Confident | 142 Ų | 142 | 82.3 Ų | 82.3 | 87% | 0.871 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -77.3 | -21.9 | 179.5 | 42.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 50 | E | 86.6 | Confident | 82.4 | Confident | 148 Ų | 148 | 86.7 Ų | 86.7 | 69% | 0.692 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -147 | 160.5 | -177.3 | 59.8 | -172.9 | 173 | 0 | 0 | 110.7 | P48 | P48-E50 VanDerWaalsContact C-N 3.33Š|
| 51 | V | 84.8 | Confident | 82.5 | Confident | 41 Ų | 41 | 83 Ų | 83 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | trans | -76.5 | 133.1 | -179.9 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | T53 I65 L94 | V51-T53 PolarHBondContact O-N 2.88Å; V51-I65 HydrophobicContact CG2-CG2 3.97Å; V51-L94 HydrophobicContact CG2-CB 3.56Å; V51-L94 HydrophobicContact CG2-CD1 4.13Å | ||
| 52 | T | 80.2 | Confident | 82.6 | Confident | 58 Ų | 58 | 83.8 Ų | 83.8 | 36% | 0.356 | 46% | 0.457 | S | S | . | . | trans | -65.7 | 115.9 | 175.7 | -36 | 0 | 0 | 0 | 0 | 110.2 | S54 V58 D62 | T52-S54 WeakPolarHBondContact CG2-OG 3.21Å; T52-V58 HydrophobicContact CG2-CG1 4.37Å; T52-D62 WeakPolarHBondContact CB-O 3.46Å; T52-D62 PolarHBondContact OG1-O 3.21Å | ||
| 53 | T | 70.3 | Confident | 82.6 | Confident | 140 Ų | 140 | 85 Ų | 85 | 86% | 0.859 | 46% | 0.459 | S | S | * | . | trans | -92.9 | -1.9 | -177.5 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | V51 | V51-T53 PolarHBondContact O-N 2.88Š| ||
| 54 | S | 66.1 | Low | 82.8 | Confident | 44 Ų | 44 | 84.8 Ų | 84.8 | 31% | 0.308 | 45% | 0.454 | S | S | . | . | trans | -56.8 | 144.1 | 172 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | T52 V58 R63 | T52-S54 WeakPolarHBondContact CG2-OG 3.21Å; S54-V58 WeakPolarHBondContact OG-CB 3.45Å; S54-V58 WeakPolarHBondContact OG-CG2 3.37Å; S54-R63 WeakPolarHBondContact O-CD 3.3Å | ||
| 55 | G | 62.7 | Low | 82.9 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 44% | 0.443 | 44% | 0.444 | S | S | . | . | trans | -64.3 | -156.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E57 V58 R63 | G55-E57 PolarHBondContact O-N 2.97Å; G55-V58 PolarHBondContact O-N 3.19Å; G55-R63 WeakPolarHBondContact O-CD 3.42Å | ||
| 56 | H | 66.4 | Low | 83 | Confident | 173 Ų | 173 | 77.1 Ų | 77.1 | 80% | 0.801 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -2.8 | -178.1 | -69.3 | -87.9 | 0 | 0 | 0 | 115.2 | V58 | H56-V58 PolarHBondContact O-N 2.93Š|
| 57 | E | 67 | Low | 83 | Confident | 188 Ų | 188 | 71.9 Ų | 71.9 | 88% | 0.879 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -17 | 173.8 | -61.9 | -178.3 | 172.9 | 0 | 0 | 112.9 | G55 | G55-E57 PolarHBondContact O-N 2.97Š|
| 58 | V | 72.1 | Confident | 83 | Confident | 38 Ų | 38 | 69.6 Ų | 69.6 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -109 | 140.7 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | T52 S54 G55 H56 D62 R63 | T52-V58 HydrophobicContact CG2-CG1 4.37Å; S54-V58 WeakPolarHBondContact OG-CB 3.45Å; S54-V58 WeakPolarHBondContact OG-CG2 3.37Å; G55-V58 PolarHBondContact O-N 3.19Å; H56-V58 PolarHBondContact O-N 2.93Å; V58-D62 HydrophobicContact CG1-CB 3.44Å; V58-D62 VanDerWaalsContact CG1-CB 3.44Å; V58-R63 HydrophobicContact CB-CG 4.11Å; V58-R63 HydrophobicContact CG1-CG 3.91Å; V58-R63 PolarHBondContact O-NE 2.81Å |
| 59 | Y | 82.7 | Confident | 83.1 | Confident | 70 Ų | 70 | 68.3 Ų | 68.3 | 28% | 0.275 | 37% | 0.365 | S | S | . | . | trans | -60.4 | 155.3 | -172.6 | -60.6 | -64.7 | 0 | 0 | 0 | 112.9 | D23 N24 H42 S61 D62 R63 | D23-Y59 HydrophobicContact CB-CD1 3.29Å; D23-Y59 HydrophobicContact CB-CD2 3.97Å; D23-Y59 HydrophobicContact CB-CE1 3.58Å; D23-Y59 HydrophobicContact CB-CE2 4.22Å; D23-Y59 HydrophobicContact CB-CG 3.5Å; D23-Y59 VanDerWaalsContact CB-CG 3.5Å; D23-Y59 VanDerWaalsContact CG-CB 3.47Å; D23-Y59 VanDerWaalsContact CG-CD1 3.45Å; D23-Y59 PolarHBondContact O-OH 3.24Å; D23-Y59 WeakPolarHBondContact OD1-CD1 3.28Å; N24-Y59 WeakPolarHBondContact ND2-CE1 3.3Å; N24-Y59 PolarHBondContact ND2-OH 3.1Å; H42-Y59 AromaticContact CE1-CE2 3.55Å; H42-Y59 AromaticContact NE2-CD2 3.34Å; H42-Y59 VanDerWaalsContact NE2-CD2 3.34Å; H42-Y59 WeakPolarHBondContact NE2-CD2 3.18Å; H42-Y59 AromaticContact NE2-CE2 3.28Å; H42-Y59 VanDerWaalsContact NE2-CE2 3.28Å; H42-Y59 WeakPolarHBondContact NE2-CE2 3.46Å; Y59-S61 WeakPolarHBondContact CB-OG 3.28Å; Y59-S61 PolarHBondContact O-N 2.81Å; Y59-D62 PolarHBondContact O-N 2.76Å; Y59-R63 PolarHBondContact O-N 3.31Å; Y59-R63 VanDerWaalsContact O-N 3.16Å | ||
| 60 | L | 86.2 | Confident | 83.2 | Confident | 112 Ų | 112 | 62 Ų | 62 | 59% | 0.586 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.3 | -37.6 | 179.8 | -179.6 | 64.9 | 0 | 0 | 0 | 111.4 | D62 R63 S64 W68 | L60-D62 VanDerWaalsContact C-N 3.32Å; L60-D62 PolarHBondContact O-N 2.85Å; L60-R63 PolarHBondContact O-N 3.4Å; L60-S64 WeakPolarHBondContact O-CB 3.24Å; L60-S64 PolarHBondContact O-N 2.76Å; L60-W68 HydrophobicContact CD2-CH2 4.08Å; L60-W68 HydrophobicContact CD2-CZ2 4.48Å; L60-W68 HydrophobicContact CG-CH2 3.89Å; L60-W68 HydrophobicContact CG-CZ2 4.41Å |
| 61 | S | 90 | Very high | 83.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.5 | -44.7 | 175.2 | 45.3 | 0 | 0 | 0 | 0 | 112.5 | D23 Y59 P67 W68 | D23-S61 PolarHBondContact OD2-OG 3.07Å; Y59-S61 WeakPolarHBondContact CB-OG 3.28Å; Y59-S61 PolarHBondContact O-N 2.81Å; S61-P67 WeakPolarHBondContact O-CA 3.28Å; S61-P67 VanDerWaalsContact O-CB 3.29Å; S61-P67 WeakPolarHBondContact O-CB 3.46Å; S61-W68 WeakPolarHBondContact CB-O 3.46Å |
| 62 | D | 87.4 | Confident | 83.6 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -80.6 | -23.6 | -177.8 | -65.3 | -39.3 | 0 | 0 | 0 | 113.9 | T52 V58 Y59 L60 | T52-D62 WeakPolarHBondContact CB-O 3.46Å; T52-D62 PolarHBondContact OG1-O 3.21Å; V58-D62 HydrophobicContact CG1-CB 3.44Å; V58-D62 VanDerWaalsContact CG1-CB 3.44Å; Y59-D62 PolarHBondContact O-N 2.76Å; L60-D62 VanDerWaalsContact C-N 3.32Å; L60-D62 PolarHBondContact O-N 2.85Å |
| 63 | R | 88.5 | Confident | 84.1 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -95.7 | -4.4 | 178.6 | -60.8 | -170.4 | -61.8 | 128.8 | 2.9 | 113.6 | S54 G55 V58 Y59 L60 | S54-R63 WeakPolarHBondContact O-CD 3.3Å; G55-R63 WeakPolarHBondContact O-CD 3.42Å; V58-R63 HydrophobicContact CB-CG 4.11Å; V58-R63 HydrophobicContact CG1-CG 3.91Å; V58-R63 PolarHBondContact O-NE 2.81Å; Y59-R63 PolarHBondContact O-N 3.31Å; Y59-R63 VanDerWaalsContact O-N 3.16Å; L60-R63 PolarHBondContact O-N 3.4Å |
| 64 | S | 91.4 | Very high | 85 | Confident | 21 Ų | 21 | 50 Ų | 50 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -69.3 | 143.7 | 175.4 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | L60 C66 P67 | L60-S64 WeakPolarHBondContact O-CB 3.24Å; L60-S64 PolarHBondContact O-N 2.76Å; S64-C66 WeakPolarHBondContact CB-O 3.34Å; S64-C66 PolarHBondContact O-N 2.68Å; S64-C66 VanDerWaalsContact OG-C 3.24Å; S64-C66 PolarHBondContact OG-N 2.96Å; S64-C66 PolarHBondContact OG-O 2.74Å; S64-P67 WeakPolarHBondContact O-CD 3.49Å |
| 65 | I | 94.1 | Very high | 86.1 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -67.8 | -16.6 | 168.1 | 61.7 | 170.6 | 0 | 0 | 0 | 112.4 | V51 A93 L94 L95 P135 | V51-I65 HydrophobicContact CG2-CG2 3.97Å; I65-A93 CarbonylContact O-C 3.55Å; I65-A93 WeakPolarHBondContact O-CA 3.39Å; I65-L94 PolarHBondContact O-N 2.69Å; I65-L95 HydrophobicContact CD1-CD1 4.02Å; I65-L95 HydrophobicContact CD1-CD2 4.27Å; I65-L95 HydrophobicContact CD1-CG 4.2Å; I65-P135 HydrophobicContact CD1-CB 3.92Å; I65-P135 HydrophobicContact CD1-CG 3.54Å; I65-P135 HydrophobicContact CG1-CB 4.4Å; I65-P135 HydrophobicContact CG1-CG 4Å |
| 66 | C | 95.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -119 | 81.1 | 166.1 | -79.5 | 0 | 0 | 0 | 0 | 107.8 | S64 C103 C133 P135 | S64-C66 WeakPolarHBondContact CB-O 3.34Å; S64-C66 PolarHBondContact O-N 2.68Å; S64-C66 VanDerWaalsContact OG-C 3.24Å; S64-C66 PolarHBondContact OG-N 2.96Å; S64-C66 PolarHBondContact OG-O 2.74Å; C66-C103 WeakPolarHBondContact CA-SG 3.29Å; C66-C103 HydrophobicContact CB-CB 3.7Å; C66-C103 WeakPolarHBondContact CB-SG 3.25Å; C66-C103 WeakPolarHBondContact SG-CA 3.29Å; C66-C103 WeakPolarHBondContact SG-CB 3.17Å; C66-C103 CovalentContact SG-SG 2.04Å; C66-C103 PolarHBondContact SG-SG 2.03Å; C66-C133 HydrophobicContact CB-CB 4.06Å; C66-P135 VanDerWaalsContact SG-N 3.45Å |
| 67 | P | 95 | Very high | 88.3 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | trans | -66.7 | 150.7 | -176.6 | 26.8 | -32.6 | 0 | 0 | 0 | 111.2 | P48 S61 S64 A89 L94 | P48-P67 HydrophobicContact CG-CG 3.85Å; S61-P67 WeakPolarHBondContact O-CA 3.28Å; S61-P67 VanDerWaalsContact O-CB 3.29Å; S61-P67 WeakPolarHBondContact O-CB 3.46Å; S64-P67 WeakPolarHBondContact O-CD 3.49Å; P67-A89 HydrophobicContact CG-CB 4.4Å; P67-A89 PolarHBondContact O-N 2.85Å; P67-L94 HydrophobicContact CG-CD1 3.86Å | ||
| 68 | W | 95.1 | Very high | 89.4 | Confident | 16 Ų | 16 | 37.4 Ų | 37.4 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 159.9 | 178.2 | 67.7 | 87.4 | 0 | 0 | 0 | 111 | L60 S61 W70 A86 T87 A132 C133 | L60-W68 HydrophobicContact CD2-CH2 4.08Å; L60-W68 HydrophobicContact CD2-CZ2 4.48Å; L60-W68 HydrophobicContact CG-CH2 3.89Å; L60-W68 HydrophobicContact CG-CZ2 4.41Å; S61-W68 WeakPolarHBondContact CB-O 3.46Å; W68-W70 AromaticContact NE1-CE2 3.53Å; W68-W70 AromaticContact NE1-CZ2 3.43Å; W68-W70 AromaticContact NE1-NE1 3.77Å; W68-A86 HydrophobicContact CB-CB 4.39Å; W68-A86 VanDerWaalsContact CD1-CB 3.5Å; W68-A86 HydrophobicContact CG-CB 3.97Å; W68-T87 CarbonylContact C-O 3.48Å; W68-T87 WeakPolarHBondContact CA-O 3.41Å; W68-T87 VanDerWaalsContact CB-O 3.24Å; W68-T87 WeakPolarHBondContact CB-O 3.36Å; W68-A132 HydrophobicContact CD2-CB 4.46Å; W68-A132 HydrophobicContact CE3-CB 4.37Å; W68-A132 HydrophobicContact CH2-CB 3.88Å; W68-A132 HydrophobicContact CZ2-CB 3.98Å; W68-A132 HydrophobicContact CZ3-CB 4.08Å; W68-C133 HydrophobicContact CB-CB 4.2Å; W68-C133 HydrophobicContact CE3-CB 4.08Å; W68-C133 VanDerWaalsContact CE3-N 3.34Å |
| 69 | Y | 93.7 | Very high | 90.2 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 161.8 | 171.4 | 61.6 | -86.5 | 0 | 0 | 0 | 109.8 | L40 H42 N44 R45 K71 A86 T87 A89 | L40-Y69 HydrophobicContact CD1-CD2 3.53Å; L40-Y69 HydrophobicContact CD1-CE2 4.28Å; L40-Y69 HydrophobicContact CD1-CG 4.25Å; H42-Y69 WeakPolarHBondContact O-CB 3.5Å; N44-Y69 WeakPolarHBondContact O-CB 3.5Å; N44-Y69 WeakPolarHBondContact O-CD1 3.42Å; R45-Y69 HydrophobicContact CB-CE1 4.3Å; R45-Y69 HydrophobicContact CG-CD1 4.38Å; R45-Y69 HydrophobicContact CG-CD2 4.09Å; R45-Y69 HydrophobicContact CG-CE1 4.22Å; R45-Y69 HydrophobicContact CG-CE2 3.86Å; R45-Y69 HydrophobicContact CG-CG 4.33Å; Y69-K71 HydrophobicContact CD2-CD 4.47Å; Y69-K71 HydrophobicContact CD2-CG 4.14Å; Y69-K71 HydrophobicContact CE2-CD 3.59Å; Y69-K71 HydrophobicContact CE2-CG 3.69Å; Y69-K71 PolarHBondContact OH-NZ 2.82Å; Y69-A86 CarbonylContact O-C 3.55Å; Y69-A86 WeakPolarHBondContact O-CA 3.37Å; Y69-T87 VanDerWaalsContact CD1-O 3.3Å; Y69-T87 WeakPolarHBondContact CD1-O 3.29Å; Y69-T87 HydrophobicContact CE1-CG2 3.97Å; Y69-T87 WeakPolarHBondContact CE1-O 3.48Å; Y69-T87 HydrophobicContact CE2-CG2 4.35Å; Y69-T87 PolarHBondContact N-O 3.21Å; Y69-T87 PolarHBondContact O-N 3.31Å; Y69-T87 WeakPolarHBondContact OH-CG2 3.34Å; Y69-A89 HydrophobicContact CD1-CB 4.25Å |
| 70 | W | 91.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.6 | -175.8 | -64.6 | 103.6 | 0 | 0 | 0 | 110.3 | L20 P22 D23 L41 H42 W68 P84 A86 V131 | L20-W70 HydrophobicContact CB-CH2 4.25Å; L20-W70 HydrophobicContact CB-CZ3 4.28Å; L20-W70 HydrophobicContact CD1-CH2 4.46Å; L20-W70 HydrophobicContact CD1-CZ3 4.1Å; L20-W70 HydrophobicContact CD2-CH2 4.41Å; P22-W70 HydrophobicContact CB-CB 3.88Å; P22-W70 HydrophobicContact CB-CD2 3.5Å; P22-W70 HydrophobicContact CB-CE3 4.06Å; P22-W70 HydrophobicContact CB-CG 3.4Å; P22-W70 HydrophobicContact CB-CZ2 4.48Å; D23-W70 PolarHBondContact OD2-NE1 3.37Å; L41-W70 HydrophobicContact CB-CB 4.06Å; L41-W70 WeakPolarHBondContact CB-O 3.36Å; L41-W70 PolarHBondContact N-O 2.94Å; H42-W70 HydrophobicContact CB-CB 4.33Å; H42-W70 PolarHBondContact N-O 3.38Å; H42-W70 PolarHBondContact O-N 2.67Å; W68-W70 AromaticContact NE1-CE2 3.53Å; W68-W70 AromaticContact NE1-CZ2 3.43Å; W68-W70 AromaticContact NE1-NE1 3.77Å; W70-P84 HydrophobicContact CE3-CB 3.83Å; W70-P84 HydrophobicContact CZ3-CB 4.13Å; W70-A86 HydrophobicContact CE3-CB 4.22Å; W70-A86 HydrophobicContact CH2-CB 4.38Å; W70-A86 HydrophobicContact CZ3-CB 4.01Å; W70-V131 VanDerWaalsContact CH2-O 3.29Å; W70-V131 WeakPolarHBondContact CH2-O 3.39Å |
| 71 | K | 91.6 | Very high | 90.3 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 152.2 | 170.5 | -87.6 | 168.2 | 159.1 | 158.1 | 0 | 110.9 | A39 Y69 Q85 | A39-K71 CarbonylContact O-C 3.5Å; A39-K71 VanDerWaalsContact O-CA 3.24Å; A39-K71 WeakPolarHBondContact O-CA 3.22Å; Y69-K71 HydrophobicContact CD2-CD 4.47Å; Y69-K71 HydrophobicContact CD2-CG 4.14Å; Y69-K71 HydrophobicContact CE2-CD 3.59Å; Y69-K71 HydrophobicContact CE2-CG 3.69Å; Y69-K71 PolarHBondContact OH-NZ 2.82Å; K71-Q85 PolarHBondContact N-O 2.82Å; K71-Q85 PolarHBondContact O-N 3.07Å |
| 72 | M | 88.1 | Confident | 90.1 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.8 | 172.8 | -167.6 | -175.9 | -68.8 | 0 | 0 | 109.7 | L30 L35 N37 G38 A39 L41 Y74 I82 | L30-M72 HydrophobicContact CD1-CE 3.6Å; L35-M72 HydrophobicContact CB-SD 4.45Å; L35-M72 HydrophobicContact CD2-CE 3.9Å; L35-M72 HydrophobicContact CD2-SD 4.07Å; N37-M72 PolarHBondContact OD1-O 2.82Å; G38-M72 WeakPolarHBondContact CA-O 3.4Å; G38-M72 PolarHBondContact N-O 2.77Å; A39-M72 HydrophobicContact CB-CB 3.95Å; A39-M72 HydrophobicContact CB-CE 4.34Å; A39-M72 PolarHBondContact O-N 3.09Å; L41-M72 HydrophobicContact CD1-CB 4.16Å; L41-M72 HydrophobicContact CD2-CB 4.03Å; L41-M72 HydrophobicContact CD2-CE 3.58Å; L41-M72 HydrophobicContact CD2-CG 4.4Å; L41-M72 HydrophobicContact CG-CB 3.96Å; M72-Y74 HydrophobicContact SD-CG 4.39Å; M72-I82 HydrophobicContact CG-CG2 3.81Å; M72-I82 HydrophobicContact SD-CG2 4.43Å |
| 73 | N | 90.5 | Very high | 90.2 | Very high | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 98.1 | 161.9 | 177.6 | -38.6 | 0 | 0 | 0 | 107.3 | N37 R78 L83 Q85 E127 | N37-N73 VanDerWaalsContact OD1-CA 3.3Å; N37-N73 WeakPolarHBondContact OD1-CA 3.4Å; N73-R78 PolarHBondContact O-NH2 2.85Å; N73-R78 VanDerWaalsContact OD1-CZ 3.28Å; N73-R78 PolarHBondContact OD1-NH1 2.74Å; N73-R78 PolarHBondContact OD1-NH2 3.09Å; N73-L83 WeakPolarHBondContact CA-O 3.4Å; N73-L83 HydrophobicContact CB-CB 4.15Å; N73-L83 VanDerWaalsContact CB-O 3.24Å; N73-L83 WeakPolarHBondContact CB-O 3.24Å; N73-L83 PolarHBondContact N-O 3.09Å; N73-L83 PolarHBondContact O-N 2.87Å; N73-Q85 HydrophobicContact CB-CB 4.21Å; N73-Q85 PolarHBondContact ND2-OE1 3.43Å; N73-E127 PolarHBondContact ND2-OE1 2.97Å |
| 74 | Y | 88.1 | Confident | 90.2 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 23% | 0.227 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.1 | -175.9 | 179.3 | -118.3 | 0 | 0 | 0 | 111.4 | L35 N37 M72 P76 S81 I82 | L35-Y74 HydrophobicContact CB-CD1 4.18Å; L35-Y74 HydrophobicContact CB-CD2 4.31Å; L35-Y74 HydrophobicContact CB-CE1 3.92Å; L35-Y74 HydrophobicContact CB-CE2 4.05Å; L35-Y74 HydrophobicContact CB-CG 4.36Å; L35-Y74 HydrophobicContact CD1-CE2 3.9Å; L35-Y74 WeakPolarHBondContact O-CD1 3.37Å; N37-Y74 PolarHBondContact OD1-N 2.85Å; M72-Y74 HydrophobicContact SD-CG 4.39Å; Y74-P76 HydrophobicContact CE1-CB 4.26Å; Y74-P76 HydrophobicContact CE1-CG 4.32Å; Y74-S81 WeakPolarHBondContact CA-O 3.44Å; Y74-S81 WeakPolarHBondContact CD2-O 3.46Å; Y74-I82 HydrophobicContact CD2-CG1 3.71Å; Y74-I82 HydrophobicContact CE2-CG1 4.18Å |
| 75 | D | 89.4 | Confident | 90.2 | Very high | 34 Ų | 34 | 31.4 Ų | 31.4 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | trans | -138 | 106 | 173.7 | -179.5 | -9.6 | 0 | 0 | 0 | 108 | L77 R78 S81 R114 | D75-L77 PolarHBondContact O-N 2.99Å; D75-L77 WeakPolarHBondContact OD1-CA 3.5Å; D75-L77 PolarHBondContact OD1-N 3.48Å; D75-R78 HydrophobicContact CB-CB 3.71Å; D75-R78 PolarHBondContact O-N 3Å; D75-R78 VanDerWaalsContact O-N 3.1Å; D75-S81 PolarHBondContact N-O 2.81Å; D75-S81 VanDerWaalsContact O-CA 3.29Å; D75-S81 WeakPolarHBondContact O-CA 3.24Å; D75-S81 WeakPolarHBondContact O-CB 3.33Å; D75-R114 IonicContact OD2-CZ 3.99Å; D75-R114 IonicContact OD2-NE 3.38Å; D75-R114 PolarHBondContact OD2-NE 3.02Å; D75-R114 IonicContact OD2-NH2 3.64Å | ||
| 76 | P | 86.6 | Confident | 90.2 | Very high | 87 Ų | 87 | 28.8 Ų | 28.8 | 57% | 0.565 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.1 | -178.7 | 26.5 | -33.8 | 0 | 0 | 0 | 112.9 | Y74 R78 | Y74-P76 HydrophobicContact CE1-CB 4.26Å; Y74-P76 HydrophobicContact CE1-CG 4.32Å; P76-R78 VanDerWaalsContact C-N 3.32Å |
| 77 | L | 90.2 | Very high | 90.3 | Very high | 59 Ų | 59 | 30.1 Ų | 30.1 | 31% | 0.309 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 14.4 | 178.2 | -58.8 | 178.6 | 0 | 0 | 0 | 111.7 | D75 R114 F115 | D75-L77 PolarHBondContact O-N 2.99Å; D75-L77 WeakPolarHBondContact OD1-CA 3.5Å; D75-L77 PolarHBondContact OD1-N 3.48Å; L77-R114 CarbonylContact O-C 3.34Å; L77-R114 WeakPolarHBondContact O-CA 3.3Å; L77-F115 PolarHBondContact O-N 2.9Å |
| 78 | R | 89.6 | Confident | 90.4 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.3 | -178.9 | -170.3 | -177.8 | 68.4 | -155.8 | -11.4 | 112 | N73 D75 P76 P80 S81 V112 L113 R114 E127 | N73-R78 PolarHBondContact O-NH2 2.85Å; N73-R78 VanDerWaalsContact OD1-CZ 3.28Å; N73-R78 PolarHBondContact OD1-NH1 2.74Å; N73-R78 PolarHBondContact OD1-NH2 3.09Å; D75-R78 HydrophobicContact CB-CB 3.71Å; D75-R78 PolarHBondContact O-N 3Å; D75-R78 VanDerWaalsContact O-N 3.1Å; P76-R78 VanDerWaalsContact C-N 3.32Å; R78-P80 PolarHBondContact NE-O 3.04Å; R78-P80 CarbonylContact O-C 3.47Å; R78-S81 PolarHBondContact NH2-O 3.33Å; R78-S81 WeakPolarHBondContact O-CA 3.18Å; R78-S81 WeakPolarHBondContact O-CB 3.47Å; R78-S81 PolarHBondContact O-N 2.9Å; R78-S81 VanDerWaalsContact O-N 3.07Å; R78-V112 HydrophobicContact CG-CB 3.73Å; R78-V112 HydrophobicContact CG-CG1 4.27Å; R78-V112 HydrophobicContact CG-CG2 3.94Å; R78-L113 CarbonylContact C-O 3.56Å; R78-L113 WeakPolarHBondContact CA-O 3.47Å; R78-L113 WeakPolarHBondContact CG-O 3.38Å; R78-R114 HydrophobicContact CB-CG 4.27Å; R78-R114 HydrophobicContact CG-CG 4.06Å; R78-E127 VanDerWaalsContact NH1-CD 3.32Å; R78-E127 IonicContact NH1-OE1 3Å; R78-E127 PolarHBondContact NH1-OE1 2.89Å; R78-E127 IonicContact NH1-OE2 3.92Å |
| 79 | I | 88.4 | Confident | 90.4 | Very high | 42 Ų | 42 | 30.9 Ų | 30.9 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.3 | 163.6 | -64 | 172.1 | 0 | 0 | 0 | 109.4 | L4 M8 V112 L113 F115 | L4-I79 HydrophobicContact CD2-CD1 4.11Å; M8-I79 HydrophobicContact CE-CD1 4.26Å; M8-I79 HydrophobicContact SD-CD1 3.84Å; M8-I79 HydrophobicContact SD-CG1 4.15Å; M8-I79 HydrophobicContact SD-CG2 3.82Å; I79-V112 WeakPolarHBondContact O-CA 3.46Å; I79-V112 WeakPolarHBondContact O-CB 3.14Å; I79-L113 HydrophobicContact CB-CB 4.29Å; I79-L113 PolarHBondContact N-O 3.17Å; I79-L113 PolarHBondContact O-N 2.83Å; I79-L113 VanDerWaalsContact O-N 3.09Å; I79-F115 HydrophobicContact CD1-CE2 3.54Å; I79-F115 HydrophobicContact CD1-CZ 3.82Å; I79-F115 HydrophobicContact CG1-CE2 3.84Å |
| 80 | P | 86.2 | Confident | 90.5 | Very high | 51 Ų | 51 | 30.1 Ų | 30.1 | 33% | 0.331 | 17% | 0.167 | S | C | . | . | S | Bend | cis | -67.2 | 146.8 | -10 | 31.2 | -35.5 | 0 | 0 | 0 | 110.9 | R78 L83 | R78-P80 PolarHBondContact NE-O 3.04Å; R78-P80 CarbonylContact O-C 3.47Å; P80-L83 HydrophobicContact CG-CD2 3.44Å; P80-L83 VanDerWaalsContact CG-CD2 3.44Å; P80-L83 HydrophobicContact CG-CG 4Å |
| 81 | S | 85.9 | Confident | 90.6 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -71.9 | -35.8 | -178.5 | 53.1 | 0 | 0 | 0 | 0 | 111.2 | Y74 D75 R78 | Y74-S81 WeakPolarHBondContact CA-O 3.44Å; Y74-S81 WeakPolarHBondContact CD2-O 3.46Å; D75-S81 PolarHBondContact N-O 2.81Å; D75-S81 VanDerWaalsContact O-CA 3.29Å; D75-S81 WeakPolarHBondContact O-CA 3.24Å; D75-S81 WeakPolarHBondContact O-CB 3.33Å; R78-S81 PolarHBondContact NH2-O 3.33Å; R78-S81 WeakPolarHBondContact O-CA 3.18Å; R78-S81 WeakPolarHBondContact O-CB 3.47Å; R78-S81 PolarHBondContact O-N 2.9Å; R78-S81 VanDerWaalsContact O-N 3.07Å |
| 82 | I | 86.1 | Confident | 90.6 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.7 | 177.9 | -52.5 | 164.8 | 0 | 0 | 0 | 109.3 | L27 L35 M72 Y74 | L27-I82 HydrophobicContact CD1-CG2 4.04Å; L27-I82 HydrophobicContact CD2-CG2 4Å; L27-I82 HydrophobicContact CG-CG2 4.45Å; L35-I82 HydrophobicContact CD1-CD1 4.21Å; L35-I82 HydrophobicContact CD2-CD1 3.54Å; L35-I82 HydrophobicContact CD2-CG1 4.31Å; M72-I82 HydrophobicContact CG-CG2 3.81Å; M72-I82 HydrophobicContact SD-CG2 4.43Å; Y74-I82 HydrophobicContact CD2-CG1 3.71Å; Y74-I82 HydrophobicContact CE2-CG1 4.18Å |
| 83 | L | 87.9 | Confident | 90.9 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.3 | 168.8 | -71.1 | 172.1 | 0 | 0 | 0 | 108.7 | N73 P80 L110 V112 E127 I129 | N73-L83 WeakPolarHBondContact CA-O 3.4Å; N73-L83 HydrophobicContact CB-CB 4.15Å; N73-L83 VanDerWaalsContact CB-O 3.24Å; N73-L83 WeakPolarHBondContact CB-O 3.24Å; N73-L83 PolarHBondContact N-O 3.09Å; N73-L83 PolarHBondContact O-N 2.87Å; P80-L83 HydrophobicContact CG-CD2 3.44Å; P80-L83 VanDerWaalsContact CG-CD2 3.44Å; P80-L83 HydrophobicContact CG-CG 4Å; L83-L110 HydrophobicContact CD1-CD1 3.79Å; L83-L110 HydrophobicContact CD1-CD2 4.24Å; L83-L110 HydrophobicContact CD1-CG 4.48Å; L83-L110 HydrophobicContact CD2-CD1 3.65Å; L83-L110 HydrophobicContact CG-CD1 4.39Å; L83-V112 HydrophobicContact CD1-CG1 4.48Å; L83-E127 HydrophobicContact CD1-CB 4.45Å; L83-E127 HydrophobicContact CD1-CG 3.9Å; L83-I129 HydrophobicContact CB-CG2 4.4Å; L83-I129 HydrophobicContact CD1-CG2 3.99Å |
| 84 | P | 88.8 | Confident | 91 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.045 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 139.9 | 167.7 | -19 | 33.2 | 0 | 0 | 0 | 110.9 | P22 L27 L41 W70 | P22-P84 HydrophobicContact CB-CB 4.31Å; P22-P84 HydrophobicContact CG-CB 3.54Å; P22-P84 HydrophobicContact CG-CG 3.48Å; P22-P84 VanDerWaalsContact CG-CG 3.48Å; L27-P84 HydrophobicContact CD1-CG 3.57Å; L27-P84 HydrophobicContact CD2-CG 4.24Å; L27-P84 HydrophobicContact CG-CG 4.34Å; L41-P84 HydrophobicContact CD1-CB 4.17Å; W70-P84 HydrophobicContact CE3-CB 3.83Å; W70-P84 HydrophobicContact CZ3-CB 4.13Å |
| 85 | Q | 91.8 | Very high | 91.1 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 120.4 | -179.9 | -173.7 | 166.6 | -12.7 | 0 | 0 | 110 | K71 N73 S130 | K71-Q85 PolarHBondContact N-O 2.82Å; K71-Q85 PolarHBondContact O-N 3.07Å; N73-Q85 HydrophobicContact CB-CB 4.21Å; N73-Q85 PolarHBondContact ND2-OE1 3.43Å; Q85-S130 WeakPolarHBondContact CA-O 3.49Å; Q85-S130 WeakPolarHBondContact CG-OG 3.02Å; Q85-S130 PolarHBondContact NE2-OG 2.85Å |
| 86 | A | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | W68 Y69 W70 H105 S130 V131 | W68-A86 HydrophobicContact CB-CB 4.39Å; W68-A86 VanDerWaalsContact CD1-CB 3.5Å; W68-A86 HydrophobicContact CG-CB 3.97Å; Y69-A86 CarbonylContact O-C 3.55Å; Y69-A86 WeakPolarHBondContact O-CA 3.37Å; W70-A86 HydrophobicContact CE3-CB 4.22Å; W70-A86 HydrophobicContact CH2-CB 4.38Å; W70-A86 HydrophobicContact CZ3-CB 4.01Å; A86-H105 PolarHBondContact O-CD2 3.43Å; A86-S130 PolarHBondContact N-O 2.92Å; A86-S130 VanDerWaalsContact O-CB 3.24Å; A86-S130 WeakPolarHBondContact O-CB 3.4Å; A86-S130 PolarHBondContact O-OG 3.03Å; A86-V131 VanDerWaalsContact CB-C 3.48Å |
| 87 | T | 96.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 17% | 0.172 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.7 | 172.3 | -55.8 | 0 | 0 | 0 | 0 | 109 | W68 Y69 A89 H105 | W68-T87 CarbonylContact C-O 3.48Å; W68-T87 WeakPolarHBondContact CA-O 3.41Å; W68-T87 VanDerWaalsContact CB-O 3.24Å; W68-T87 WeakPolarHBondContact CB-O 3.36Å; Y69-T87 VanDerWaalsContact CD1-O 3.3Å; Y69-T87 WeakPolarHBondContact CD1-O 3.29Å; Y69-T87 HydrophobicContact CE1-CG2 3.97Å; Y69-T87 WeakPolarHBondContact CE1-O 3.48Å; Y69-T87 HydrophobicContact CE2-CG2 4.35Å; Y69-T87 PolarHBondContact N-O 3.21Å; Y69-T87 PolarHBondContact O-N 3.31Å; Y69-T87 WeakPolarHBondContact OH-CG2 3.34Å; T87-A89 PolarHBondContact O-N 2.82Å; T87-H105 WeakPolarHBondContact CA-NE2 3.27Å |
| 88 | C | 97.1 | Very high | 90.3 | Very high | 20 Ų | 20 | 53.9 Ų | 53.9 | 14% | 0.135 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 135.5 | -179.6 | -47.4 | 0 | 0 | 0 | 0 | 110 | C103 H105 C133 | C88-C103 HydrophobicContact CB-CB 4.4Å; C88-H105 PolarHBondContact N-NE2 2.55Å; C88-H105 VanDerWaalsContact N-NE2 3.19Å; C88-C133 WeakPolarHBondContact CA-SG 3.03Å; C88-C133 HydrophobicContact CB-CB 3.95Å; C88-C133 WeakPolarHBondContact CB-SG 3.45Å; C88-C133 PolarHBondContact N-SG 2.84Å; C88-C133 WeakPolarHBondContact SG-CB 3.1Å; C88-C133 CovalentContact SG-SG 2.03Å; C88-C133 PolarHBondContact SG-SG 2.93Å |
| 89 | A | 96.6 | Very high | 89.9 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -80.4 | -27.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C47 P67 Y69 T87 | C47-A89 WeakPolarHBondContact CB-O 3.05Å; P67-A89 HydrophobicContact CG-CB 4.4Å; P67-A89 PolarHBondContact O-N 2.85Å; Y69-A89 HydrophobicContact CD1-CB 4.25Å; T87-A89 PolarHBondContact O-N 2.82Å |
| 90 | C | 95.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | trans | -119.5 | 147.3 | -178.3 | -55.3 | 0 | 0 | 0 | 0 | 111 | C47 R92 C103 | C47-C90 WeakPolarHBondContact CA-SG 3.48Å; C47-C90 HydrophobicContact CB-CB 3.98Å; C47-C90 WeakPolarHBondContact CB-SG 3.39Å; C47-C90 WeakPolarHBondContact SG-CB 3.29Å; C47-C90 CovalentContact SG-SG 2.03Å; C47-C90 PolarHBondContact SG-SG 2.85Å; C90-R92 WeakPolarHBondContact CB-O 3.06Å; C90-C103 VanDerWaalsContact O-CB 3.26Å; C90-C103 WeakPolarHBondContact O-CB 3.44Å | ||
| 91 | D | 93.6 | Very high | 90 | Very high | 144 Ų | 144 | 56 Ų | 56 | 77% | 0.77 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -79.7 | -28.2 | 169.8 | -62 | -31.4 | 0 | 0 | 0 | 112 | E102 C103 | D91-E102 WeakPolarHBondContact O-CA 3.04Å; D91-C103 PolarHBondContact O-N 2.88Å |
| 92 | R | 92.5 | Very high | 90.4 | Very high | 145 Ų | 145 | 57.5 Ų | 57.5 | 55% | 0.547 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -122.2 | 148.9 | -179.9 | -58.6 | -173.3 | 92.3 | 170.5 | 7.3 | 111.1 | C90 S100 F101 C103 | C90-R92 WeakPolarHBondContact CB-O 3.06Å; R92-S100 PolarHBondContact NH2-OG 3.44Å; R92-F101 WeakPolarHBondContact CA-O 3.02Å; R92-C103 PolarHBondContact O-SG 2.92Å |
| 93 | A | 93.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 11% | 0.107 | 30% | 0.297 | C | S | . | . | trans | -65.3 | 144.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I65 L95 F101 C103 P135 | I65-A93 CarbonylContact O-C 3.55Å; I65-A93 WeakPolarHBondContact O-CA 3.39Å; A93-L95 HydrophobicContact CB-CD1 3.99Å; A93-L95 HydrophobicContact CB-CG 4.14Å; A93-L95 PolarHBondContact O-N 3.18Å; A93-F101 HydrophobicContact CB-CB 3.86Å; A93-F101 PolarHBondContact N-O 2.91Å; A93-C103 VanDerWaalsContact CA-SG 3.53Å; A93-C103 PolarHBondContact N-SG 3.21Å; A93-C103 VanDerWaalsContact N-SG 3.36Å; A93-P135 HydrophobicContact CB-CB 4Å | ||
| 94 | L | 93 | Very high | 91.2 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -75 | 65.9 | 176.3 | -58.8 | 174.5 | 0 | 0 | 0 | 110.6 | P48 V51 I65 P67 | P48-L94 HydrophobicContact CG-CD1 3.72Å; P48-L94 WeakPolarHBondContact O-CD2 3.12Å; V51-L94 HydrophobicContact CG2-CB 3.56Å; V51-L94 HydrophobicContact CG2-CD1 4.13Å; I65-L94 PolarHBondContact O-N 2.69Å; P67-L94 HydrophobicContact CG-CD1 3.86Å |
| 95 | L | 88.8 | Confident | 91.5 | Very high | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -122.2 | 163.4 | -179.6 | -72.4 | 174.6 | 0 | 0 | 0 | 109.7 | I65 A93 K97 L99 F101 | I65-L95 HydrophobicContact CD1-CD1 4.02Å; I65-L95 HydrophobicContact CD1-CD2 4.27Å; I65-L95 HydrophobicContact CD1-CG 4.2Å; A93-L95 HydrophobicContact CB-CD1 3.99Å; A93-L95 HydrophobicContact CB-CG 4.14Å; A93-L95 PolarHBondContact O-N 3.18Å; L95-K97 PolarHBondContact O-N 3.01Å; L95-L99 HydrophobicContact CB-CB 4.43Å; L95-L99 HydrophobicContact CD1-CD1 4.49Å; L95-F101 HydrophobicContact CD1-CB 4.4Å; L95-F101 HydrophobicContact CD1-CD2 3.89Å; L95-F101 HydrophobicContact CD1-CG 4.26Å |
| 96 | P | 85.2 | Confident | 91.7 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | trans | -50.6 | 137.6 | 170.1 | -26.7 | 35.1 | 0 | 0 | 0 | 111 | T98 L99 | P96-T98 PolarHBondContact O-N 3.18Å; P96-L99 PolarHBondContact O-N 3.43Å | ||
| 97 | K | 81.5 | Confident | 91.6 | Very high | 218 Ų | 218 | 66.8 Ų | 66.8 | 95% | 0.948 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14.9 | -176 | -64.4 | -176.2 | 178.8 | -179.5 | 0 | 114.7 | L95 L99 | L95-K97 PolarHBondContact O-N 3.01Å; K97-L99 VanDerWaalsContact C-N 3.28Å |
| 98 | T | 82.7 | Confident | 91.3 | Very high | 131 Ų | 131 | 71 Ų | 71 | 80% | 0.804 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -19.9 | 174.6 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | P96 | P96-T98 PolarHBondContact O-N 3.18Š|
| 99 | L | 82.6 | Confident | 90.9 | Very high | 75 Ų | 75 | 73.3 Ų | 73.3 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -103.9 | 119.6 | 177.8 | -62.5 | 177.2 | 0 | 0 | 0 | 109.4 | L95 P96 K97 F101 | L95-L99 HydrophobicContact CB-CB 4.43Å; L95-L99 HydrophobicContact CD1-CD1 4.49Å; P96-L99 PolarHBondContact O-N 3.43Å; K97-L99 VanDerWaalsContact C-N 3.28Å; L99-F101 HydrophobicContact CB-CD2 3.99Å; L99-F101 HydrophobicContact CB-CE2 4.02Å |
| 100 | S | 84.4 | Confident | 90.4 | Very high | 46 Ų | 46 | 73.4 Ų | 73.4 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | trans | -97.1 | 97.9 | 178.2 | -170.4 | 0 | 0 | 0 | 0 | 110.5 | R92 | R92-S100 PolarHBondContact NH2-OG 3.44Š| ||
| 101 | F | 91.7 | Very high | 90 | Very high | 21 Ų | 21 | 83.1 Ų | 83.1 | 9% | 0.092 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.9 | 172.1 | -70.5 | -99.4 | 0 | 0 | 0 | 109.4 | R92 A93 L95 L99 P135 V136 R137 M152 | R92-F101 WeakPolarHBondContact CA-O 3.02Å; A93-F101 HydrophobicContact CB-CB 3.86Å; A93-F101 PolarHBondContact N-O 2.91Å; L95-F101 HydrophobicContact CD1-CB 4.4Å; L95-F101 HydrophobicContact CD1-CD2 3.89Å; L95-F101 HydrophobicContact CD1-CG 4.26Å; L99-F101 HydrophobicContact CB-CD2 3.99Å; L99-F101 HydrophobicContact CB-CE2 4.02Å; F101-P135 HydrophobicContact CB-CB 4.04Å; F101-P135 HydrophobicContact CD1-CB 4.11Å; F101-P135 HydrophobicContact CG-CB 4.38Å; F101-V136 CarbonylContact C-O 3.52Å; F101-V136 VanDerWaalsContact CA-O 3.3Å; F101-V136 WeakPolarHBondContact CA-O 3.35Å; F101-R137 HydrophobicContact CD1-CB 3.92Å; F101-R137 HydrophobicContact CE1-CB 3.55Å; F101-R137 HydrophobicContact CE1-CG 4.12Å; F101-R137 HydrophobicContact CZ-CB 4.08Å; F101-R137 HydrophobicContact CZ-CG 4.16Å; F101-M152 HydrophobicContact CE1-SD 4.32Å; F101-M152 HydrophobicContact CE2-CE 4.26Å; F101-M152 HydrophobicContact CZ-CE 3.66Å; F101-M152 HydrophobicContact CZ-SD 3.86Å |
| 102 | E | 93.5 | Very high | 89.7 | Confident | 75 Ų | 75 | 76.4 Ų | 76.4 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 148.5 | 174.1 | -63.3 | -176.8 | 162.9 | 0 | 0 | 108.9 | D91 P135 V136 | D91-E102 WeakPolarHBondContact O-CA 3.04Å; E102-P135 CarbonylContact O-C 3.49Å; E102-P135 WeakPolarHBondContact O-CA 3.19Å; E102-V136 HydrophobicContact CB-CG2 4.41Å; E102-V136 PolarHBondContact N-O 2.87Å; E102-V136 WeakPolarHBondContact O-CG2 3.43Å; E102-V136 PolarHBondContact O-N 2.03Å |
| 103 | C | 95.6 | Very high | 89.7 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.4 | 176.6 | -68.7 | 0 | 0 | 0 | 0 | 109.6 | C66 C88 C90 D91 R92 A93 | C66-C103 WeakPolarHBondContact CA-SG 3.29Å; C66-C103 HydrophobicContact CB-CB 3.7Å; C66-C103 WeakPolarHBondContact CB-SG 3.25Å; C66-C103 WeakPolarHBondContact SG-CA 3.29Å; C66-C103 WeakPolarHBondContact SG-CB 3.17Å; C66-C103 CovalentContact SG-SG 2.04Å; C66-C103 PolarHBondContact SG-SG 2.03Å; C88-C103 HydrophobicContact CB-CB 4.4Å; C90-C103 VanDerWaalsContact O-CB 3.26Å; C90-C103 WeakPolarHBondContact O-CB 3.44Å; D91-C103 PolarHBondContact O-N 2.88Å; R92-C103 PolarHBondContact O-SG 2.92Å; A93-C103 VanDerWaalsContact CA-SG 3.53Å; A93-C103 PolarHBondContact N-SG 3.21Å; A93-C103 VanDerWaalsContact N-SG 3.36Å |
| 104 | E | 96.1 | Very high | 89.7 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 150.8 | 179.6 | -78.1 | -62.8 | 159.3 | 0 | 0 | 112.1 | V106 C133 M134 V136 | E104-V106 PolarHBondContact O-N 2.88Å; E104-C133 CarbonylContact O-C 3.56Å; E104-C133 VanDerWaalsContact O-CA 3.31Å; E104-C133 WeakPolarHBondContact O-CA 3.39Å; E104-M134 PolarHBondContact N-O 3.19Å; E104-M134 PolarHBondContact O-N 2.81Å; E104-V136 HydrophobicContact CB-CG1 4.49Å; E104-V136 HydrophobicContact CB-CG2 3.64Å; E104-V136 HydrophobicContact CG-CG2 3.26Å |
| 105 | H | 95.8 | Very high | 89.6 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 125.9 | 179.7 | -65.5 | 90.7 | 0 | 0 | 0 | 110.9 | A86 T87 C88 T107 | A86-H105 PolarHBondContact O-CD2 3.43Å; T87-H105 WeakPolarHBondContact CA-NE2 3.27Å; C88-H105 PolarHBondContact N-NE2 2.55Å; C88-H105 VanDerWaalsContact N-NE2 3.19Å; H105-T107 HydrophobicContact CB-CG2 4.36Å; H105-T107 PolarHBondContact O-N 2.79Å |
| 106 | V | 94.4 | Very high | 89.8 | Confident | 50 Ų | 50 | 74.4 Ų | 74.4 | 30% | 0.303 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.2 | 166.3 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | E104 S130 V131 A132 M134 | E104-V106 PolarHBondContact O-N 2.88Å; V106-S130 CarbonylContact O-C 3.56Å; V106-S130 VanDerWaalsContact O-CA 3.29Å; V106-S130 WeakPolarHBondContact O-CA 3.3Å; V106-V131 HydrophobicContact CB-CG2 4.15Å; V106-V131 HydrophobicContact CG1-CG2 3.92Å; V106-V131 PolarHBondContact O-N 2.87Å; V106-A132 HydrophobicContact CB-CB 4.25Å; V106-A132 HydrophobicContact CG2-CB 4.31Å; V106-A132 PolarHBondContact N-O 2.8Å; V106-M134 HydrophobicContact CG2-CB 3.88Å; V106-M134 HydrophobicContact CG2-CG 3.56Å; V106-M134 HydrophobicContact CG2-SD 3.64Å |
| 107 | T | 93.1 | Very high | 90.1 | Very high | 66 Ų | 66 | 74.9 Ų | 74.9 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.7 | -173.8 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | H105 K128 I129 | H105-T107 HydrophobicContact CB-CG2 4.36Å; H105-T107 PolarHBondContact O-N 2.79Å; T107-K128 WeakPolarHBondContact OG1-CE 3.31Å; T107-I129 CarbonylContact C-O 3.58Å; T107-I129 VanDerWaalsContact CA-O 3.25Å; T107-I129 WeakPolarHBondContact CA-O 2.92Å |
| 108 | Y | 89 | Confident | 90.5 | Very high | 115 Ų | 115 | 69 Ų | 69 | 45% | 0.451 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138 | 174.4 | -172.7 | -92.4 | 0 | 0 | 0 | 110.8 | L19 L110 K128 I129 | L19-Y108 HydrophobicContact CD1-CE1 4.31Å; L19-Y108 HydrophobicContact CD2-CD1 3.33Å; L19-Y108 HydrophobicContact CD2-CE1 3.27Å; L19-Y108 HydrophobicContact CD2-CG 4.16Å; L19-Y108 HydrophobicContact CG-CE1 4.38Å; Y108-L110 HydrophobicContact CD1-CB 4.12Å; Y108-L110 HydrophobicContact CD1-CD2 4.49Å; Y108-L110 HydrophobicContact CE1-CB 3.94Å; Y108-K128 WeakPolarHBondContact O-CA 3.36Å; Y108-I129 PolarHBondContact N-O 2.88Å; Y108-I129 PolarHBondContact O-N 2.8Å |
| 109 | S | 89.3 | Confident | 90.7 | Very high | 70 Ų | 70 | 65.6 Ų | 65.6 | 49% | 0.49 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.8 | 177.3 | -67.4 | 0 | 0 | 0 | 0 | 109.8 | E127 | S109-E127 CarbonylContact C-O 3.55Å; S109-E127 WeakPolarHBondContact CA-O 3.41Å |
| 110 | L | 85.8 | Confident | 91 | Very high | 19 Ų | 19 | 67 Ų | 67 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 151.8 | 177.6 | 65.3 | 149.7 | 0 | 0 | 0 | 111.6 | L83 Y108 V112 I126 E127 I129 | L83-L110 HydrophobicContact CD1-CD1 3.79Å; L83-L110 HydrophobicContact CD1-CD2 4.24Å; L83-L110 HydrophobicContact CD1-CG 4.48Å; L83-L110 HydrophobicContact CD2-CD1 3.65Å; L83-L110 HydrophobicContact CG-CD1 4.39Å; Y108-L110 HydrophobicContact CD1-CB 4.12Å; Y108-L110 HydrophobicContact CD1-CD2 4.49Å; Y108-L110 HydrophobicContact CE1-CB 3.94Å; L110-V112 HydrophobicContact CD1-CG1 3.78Å; L110-V112 HydrophobicContact CG-CG1 4.05Å; L110-I126 WeakPolarHBondContact O-CA 3.06Å; L110-E127 HydrophobicContact CD2-CB 4.11Å; L110-E127 VanDerWaalsContact CD2-O 3.27Å; L110-E127 WeakPolarHBondContact CD2-O 3.43Å; L110-E127 HydrophobicContact CG-CB 4.14Å; L110-E127 PolarHBondContact N-O 2.98Å; L110-E127 PolarHBondContact O-N 3.38Å; L110-I129 HydrophobicContact CD2-CB 4.35Å; L110-I129 HydrophobicContact CD2-CD1 3.6Å; L110-I129 HydrophobicContact CD2-CG1 3.58Å; L110-I129 HydrophobicContact CD2-CG2 3.98Å |
| 111 | R | 87.6 | Confident | 91.4 | Very high | 207 Ų | 207 | 73.8 Ų | 73.8 | 78% | 0.781 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.6 | 171.9 | -71.6 | 177.5 | 179.9 | -178 | 1.1 | 109.4 | A125 I126 | R111-A125 WeakPolarHBondContact CA-O 3.44Å; R111-I126 HydrophobicContact CG-CD1 3.62Å |
| 112 | V | 88.2 | Confident | 91.5 | Very high | 3 Ų | 3 | 79.8 Ų | 79.8 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 155.1 | 177.4 | -59 | 0 | 0 | 0 | 0 | 109.8 | R78 I79 L83 L110 R114 A125 E127 | R78-V112 HydrophobicContact CG-CB 3.73Å; R78-V112 HydrophobicContact CG-CG1 4.27Å; R78-V112 HydrophobicContact CG-CG2 3.94Å; I79-V112 WeakPolarHBondContact O-CA 3.46Å; I79-V112 WeakPolarHBondContact O-CB 3.14Å; L83-V112 HydrophobicContact CD1-CG1 4.48Å; L110-V112 HydrophobicContact CD1-CG1 3.78Å; L110-V112 HydrophobicContact CG-CG1 4.05Å; V112-R114 HydrophobicContact CG2-CG 4.35Å; V112-A125 HydrophobicContact CG2-CB 3.96Å; V112-A125 PolarHBondContact N-O 2.8Å; V112-A125 PolarHBondContact O-N 3.48Å; V112-E127 HydrophobicContact CG1-CB 3.68Å; V112-E127 HydrophobicContact CG2-CB 4.07Å |
| 113 | L | 91.4 | Very high | 91.5 | Very high | 46 Ų | 46 | 84.4 Ų | 84.4 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.3 | 165.5 | -65.4 | 171.9 | 0 | 0 | 0 | 108 | R78 I79 F115 Y122 Y124 | R78-L113 CarbonylContact C-O 3.56Å; R78-L113 WeakPolarHBondContact CA-O 3.47Å; R78-L113 WeakPolarHBondContact CG-O 3.38Å; I79-L113 HydrophobicContact CB-CB 4.29Å; I79-L113 PolarHBondContact N-O 3.17Å; I79-L113 PolarHBondContact O-N 2.83Å; I79-L113 VanDerWaalsContact O-N 3.09Å; L113-F115 HydrophobicContact CB-CE2 4.42Å; L113-Y122 HydrophobicContact CD2-CD2 3.84Å; L113-Y122 HydrophobicContact CD2-CE2 4.24Å; L113-Y124 HydrophobicContact CD2-CD1 3.6Å; L113-Y124 HydrophobicContact CD2-CE1 3.48Å; L113-Y124 VanDerWaalsContact CD2-CE1 3.48Å; L113-Y124 HydrophobicContact CD2-CG 4.22Å; L113-Y124 HydrophobicContact CG-CE1 4.5Å |
| 114 | R | 93.1 | Very high | 91.3 | Very high | 59 Ų | 59 | 92.4 Ų | 92.4 | 22% | 0.223 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.6 | 172.5 | -82.4 | -173.6 | 164 | 114.5 | -2.8 | 110.4 | D75 L77 R78 V112 Y122 R123 A125 E127 | D75-R114 IonicContact OD2-CZ 3.99Å; D75-R114 IonicContact OD2-NE 3.38Å; D75-R114 PolarHBondContact OD2-NE 3.02Å; D75-R114 IonicContact OD2-NH2 3.64Å; L77-R114 CarbonylContact O-C 3.34Å; L77-R114 WeakPolarHBondContact O-CA 3.3Å; R78-R114 HydrophobicContact CB-CG 4.27Å; R78-R114 HydrophobicContact CG-CG 4.06Å; V112-R114 HydrophobicContact CG2-CG 4.35Å; R114-Y122 CarbonylContact O-C 3.54Å; R114-Y122 WeakPolarHBondContact O-CA 3.05Å; R114-R123 HydrophobicContact CB-CG 4.42Å; R114-R123 PolarHBondContact N-O 3.47Å; R114-R123 PolarHBondContact O-N 2.88Å; R114-A125 HydrophobicContact CG-CB 4.46Å; R114-E127 IonicContact CZ-OE2 3.19Å; R114-E127 IonicContact NH1-OE2 2.9Å; R114-E127 PolarHBondContact NH1-OE2 3.35Å; R114-E127 IonicContact NH2-OE1 3.62Å; R114-E127 IonicContact NH2-OE2 2.67Å; R114-E127 PolarHBondContact NH2-OE2 3.16Å |
| 115 | F | 92.5 | Very high | 91.1 | Very high | 52 Ų | 52 | 88.8 Ų | 88.8 | 23% | 0.228 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 152.1 | 176.9 | -66.6 | -96.2 | 0 | 0 | 0 | 110.2 | L77 I79 L113 R121 Y122 | L77-F115 PolarHBondContact O-N 2.9Å; I79-F115 HydrophobicContact CD1-CE2 3.54Å; I79-F115 HydrophobicContact CD1-CZ 3.82Å; I79-F115 HydrophobicContact CG1-CE2 3.84Å; L113-F115 HydrophobicContact CB-CE2 4.42Å; F115-R121 CarbonylContact C-O 3.58Å; F115-R121 VanDerWaalsContact CA-O 3.28Å; F115-R121 WeakPolarHBondContact CA-O 3.32Å; F115-Y122 HydrophobicContact CE1-CD1 4.43Å |
| 116 | D | 92.5 | Very high | 90.8 | Very high | 49 Ų | 49 | 90.1 Ų | 90.1 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | trans | -69.3 | 169.1 | 165.2 | 65.1 | 28.5 | 0 | 0 | 0 | 111.3 | T118 C119 T120 R121 | D116-T118 VanDerWaalsContact CG-OG1 3.28Å; D116-T118 PolarHBondContact O-N 2.91Å; D116-T118 VanDerWaalsContact OD1-C 3.31Å; D116-T118 WeakPolarHBondContact OD1-CA 3.43Å; D116-T118 PolarHBondContact OD1-N 3.36Å; D116-T118 PolarHBondContact OD1-OG1 2.94Å; D116-T118 PolarHBondContact OD2-OG1 2.81Å; D116-C119 PolarHBondContact O-N 3.02Å; D116-C119 PolarHBondContact OD1-N 3.3Å; D116-T120 PolarHBondContact OD1-N 3.5Å; D116-T120 PolarHBondContact OD2-OG1 3.45Å; D116-R121 PolarHBondContact N-O 3.31Å; D116-R121 VanDerWaalsContact OD2-CB 3.23Å; D116-R121 WeakPolarHBondContact OD2-CB 3.44Å; D116-R121 WeakPolarHBondContact OD2-CG 2.98Å; D116-R121 PolarHBondContact OD2-N 2.04Å; D116-R121 VanDerWaalsContact OD2-N 3.11Å | ||
| 117 | A | 90.8 | Very high | 90.7 | Very high | 92 Ų | 92 | 89 Ų | 89 | 76% | 0.76 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 118 | T | 90.6 | Very high | 90.6 | Very high | 95 Ų | 95 | 92.1 Ų | 92.1 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -2.4 | 178.1 | 66.1 | 0 | 0 | 0 | 0 | 113 | D116 T120 | D116-T118 VanDerWaalsContact CG-OG1 3.28Å; D116-T118 PolarHBondContact O-N 2.91Å; D116-T118 VanDerWaalsContact OD1-C 3.31Å; D116-T118 WeakPolarHBondContact OD1-CA 3.43Å; D116-T118 PolarHBondContact OD1-N 3.36Å; D116-T118 PolarHBondContact OD1-OG1 2.94Å; D116-T118 PolarHBondContact OD2-OG1 2.81Å; T118-T120 PolarHBondContact O-N 2.88Å; T118-T120 WeakPolarHBondContact OG1-CG2 3.26Å; T118-T120 PolarHBondContact OG1-OG1 2.89Å |
| 119 | C | 85.6 | Confident | 90.8 | Very high | 59 Ų | 59 | 86.8 Ų | 86.8 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 54.9 | 24.6 | -172.4 | -62.2 | 0 | 0 | 0 | 0 | 114.4 | D116 | D116-C119 PolarHBondContact O-N 3.02Å; D116-C119 PolarHBondContact OD1-N 3.3Å |
| 120 | T | 90 | Very high | 91 | Very high | 104 Ų | 104 | 83.7 Ų | 83.7 | 64% | 0.638 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -98.3 | -31.1 | -177.6 | 63.3 | 0 | 0 | 0 | 0 | 113 | D116 T118 | D116-T120 PolarHBondContact OD1-N 3.5Å; D116-T120 PolarHBondContact OD2-OG1 3.45Å; T118-T120 PolarHBondContact O-N 2.88Å; T118-T120 WeakPolarHBondContact OG1-CG2 3.26Å; T118-T120 PolarHBondContact OG1-OG1 2.89Å |
| 121 | R | 93.1 | Very high | 91.3 | Very high | 190 Ų | 190 | 84.2 Ų | 84.2 | 72% | 0.717 | 40% | 0.398 | S | S | * | . | trans | -120.7 | 150.2 | 177.1 | -54.9 | 177.9 | 177 | -177.4 | -1 | 110.3 | F115 D116 | F115-R121 CarbonylContact C-O 3.58Å; F115-R121 VanDerWaalsContact CA-O 3.28Å; F115-R121 WeakPolarHBondContact CA-O 3.32Å; D116-R121 PolarHBondContact N-O 3.31Å; D116-R121 VanDerWaalsContact OD2-CB 3.23Å; D116-R121 WeakPolarHBondContact OD2-CB 3.44Å; D116-R121 WeakPolarHBondContact OD2-CG 2.98Å; D116-R121 PolarHBondContact OD2-N 2.04Å; D116-R121 VanDerWaalsContact OD2-N 3.11Å | ||
| 122 | Y | 93.1 | Very high | 91.6 | Very high | 147 Ų | 147 | 75.3 Ų | 75.3 | 58% | 0.576 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155.8 | 172.9 | 66 | -92.7 | 0 | 0 | 0 | 111.1 | L113 R114 F115 | L113-Y122 HydrophobicContact CD2-CD2 3.84Å; L113-Y122 HydrophobicContact CD2-CE2 4.24Å; R114-Y122 CarbonylContact O-C 3.54Å; R114-Y122 WeakPolarHBondContact O-CA 3.05Å; F115-Y122 HydrophobicContact CE1-CD1 4.43Å |
| 123 | R | 94 | Very high | 92 | Very high | 171 Ų | 171 | 75.4 Ų | 75.4 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151.9 | 170.6 | 64.2 | 176.2 | -179.3 | 149.5 | -0.5 | 110.7 | R114 | R114-R123 HydrophobicContact CB-CG 4.42Å; R114-R123 PolarHBondContact N-O 3.47Å; R114-R123 PolarHBondContact O-N 2.88Å |
| 124 | Y | 91.9 | Very high | 92.2 | Very high | 179 Ų | 179 | 77.4 Ų | 77.4 | 70% | 0.702 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 137.4 | 164 | -67 | -78.8 | 0 | 0 | 0 | 109.5 | L113 | L113-Y124 HydrophobicContact CD2-CD1 3.6Å; L113-Y124 HydrophobicContact CD2-CE1 3.48Å; L113-Y124 VanDerWaalsContact CD2-CE1 3.48Å; L113-Y124 HydrophobicContact CD2-CG 4.22Å; L113-Y124 HydrophobicContact CG-CE1 4.5Å |
| 125 | A | 91.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 76.6 Ų | 76.6 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | R111 V112 R114 | R111-A125 WeakPolarHBondContact CA-O 3.44Å; V112-A125 HydrophobicContact CG2-CB 3.96Å; V112-A125 PolarHBondContact N-O 2.8Å; V112-A125 PolarHBondContact O-N 3.48Å; R114-A125 HydrophobicContact CG-CB 4.46Å |
| 126 | I | 89.6 | Confident | 92.2 | Very high | 102 Ų | 102 | 76.4 Ų | 76.4 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.5 | 168.3 | -59.5 | -60.6 | 0 | 0 | 0 | 107.8 | L110 R111 | L110-I126 WeakPolarHBondContact O-CA 3.06Å; R111-I126 HydrophobicContact CG-CD1 3.62Å |
| 127 | E | 91.1 | Very high | 91.8 | Very high | 27 Ų | 27 | 79.7 Ų | 79.7 | 13% | 0.126 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.9 | 168.4 | -168.8 | 69.1 | 177.9 | 0 | 0 | 108.6 | N73 R78 L83 S109 L110 V112 R114 I129 | N73-E127 PolarHBondContact ND2-OE1 2.97Å; R78-E127 VanDerWaalsContact NH1-CD 3.32Å; R78-E127 IonicContact NH1-OE1 3Å; R78-E127 PolarHBondContact NH1-OE1 2.89Å; R78-E127 IonicContact NH1-OE2 3.92Å; L83-E127 HydrophobicContact CD1-CB 4.45Å; L83-E127 HydrophobicContact CD1-CG 3.9Å; S109-E127 CarbonylContact C-O 3.55Å; S109-E127 WeakPolarHBondContact CA-O 3.41Å; L110-E127 HydrophobicContact CD2-CB 4.11Å; L110-E127 VanDerWaalsContact CD2-O 3.27Å; L110-E127 WeakPolarHBondContact CD2-O 3.43Å; L110-E127 HydrophobicContact CG-CB 4.14Å; L110-E127 PolarHBondContact N-O 2.98Å; L110-E127 PolarHBondContact O-N 3.38Å; V112-E127 HydrophobicContact CG1-CB 3.68Å; V112-E127 HydrophobicContact CG2-CB 4.07Å; R114-E127 IonicContact CZ-OE2 3.19Å; R114-E127 IonicContact NH1-OE2 2.9Å; R114-E127 PolarHBondContact NH1-OE2 3.35Å; R114-E127 IonicContact NH2-OE1 3.62Å; R114-E127 IonicContact NH2-OE2 2.67Å; R114-E127 PolarHBondContact NH2-OE2 3.16Å; E127-I129 HydrophobicContact CG-CG2 3.97Å |
| 128 | K | 92.5 | Very high | 90.7 | Very high | 131 Ų | 131 | 81.3 Ų | 81.3 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.5 | 174.2 | -172.6 | -179.2 | -178.8 | -171.9 | 0 | 108.1 | T107 Y108 | T107-K128 WeakPolarHBondContact OG1-CE 3.31Å; Y108-K128 WeakPolarHBondContact O-CA 3.36Å |
| 129 | I | 92.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 151.5 | 177.5 | 62.9 | 176 | 0 | 0 | 0 | 110.2 | L20 L83 T107 Y108 L110 E127 V131 | L20-I129 HydrophobicContact CD1-CD1 3.61Å; L20-I129 HydrophobicContact CD1-CG1 4.48Å; L83-I129 HydrophobicContact CB-CG2 4.4Å; L83-I129 HydrophobicContact CD1-CG2 3.99Å; T107-I129 CarbonylContact C-O 3.58Å; T107-I129 VanDerWaalsContact CA-O 3.25Å; T107-I129 WeakPolarHBondContact CA-O 2.92Å; Y108-I129 PolarHBondContact N-O 2.88Å; Y108-I129 PolarHBondContact O-N 2.8Å; L110-I129 HydrophobicContact CD2-CB 4.35Å; L110-I129 HydrophobicContact CD2-CD1 3.6Å; L110-I129 HydrophobicContact CD2-CG1 3.58Å; L110-I129 HydrophobicContact CD2-CG2 3.98Å; E127-I129 HydrophobicContact CG-CG2 3.97Å; I129-V131 HydrophobicContact CG1-CG1 4.21Å |
| 130 | S | 94.5 | Very high | 87.5 | Confident | 5 Ų | 5 | 81.9 Ų | 81.9 | 4% | 0.035 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134.9 | 168.3 | 40.3 | 0 | 0 | 0 | 0 | 110.5 | Q85 A86 V106 | Q85-S130 WeakPolarHBondContact CA-O 3.49Å; Q85-S130 WeakPolarHBondContact CG-OG 3.02Å; Q85-S130 PolarHBondContact NE2-OG 2.85Å; A86-S130 PolarHBondContact N-O 2.92Å; A86-S130 VanDerWaalsContact O-CB 3.24Å; A86-S130 WeakPolarHBondContact O-CB 3.4Å; A86-S130 PolarHBondContact O-OG 3.03Å; V106-S130 CarbonylContact O-C 3.56Å; V106-S130 VanDerWaalsContact O-CA 3.29Å; V106-S130 WeakPolarHBondContact O-CA 3.3Å |
| 131 | V | 92.8 | Very high | 85.4 | Confident | 30 Ų | 30 | 86.7 Ų | 86.7 | 18% | 0.182 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -20.3 | -172.8 | -51.7 | 0 | 0 | 0 | 0 | 113.4 | L20 W70 A86 V106 I129 | L20-V131 HydrophobicContact CD1-CB 3.95Å; L20-V131 HydrophobicContact CD1-CG1 3.56Å; L20-V131 HydrophobicContact CD2-CB 3.7Å; L20-V131 HydrophobicContact CD2-CG1 3.88Å; L20-V131 HydrophobicContact CG-CB 4.47Å; L20-V131 HydrophobicContact CG-CG1 4.27Å; W70-V131 VanDerWaalsContact CH2-O 3.29Å; W70-V131 WeakPolarHBondContact CH2-O 3.39Å; A86-V131 VanDerWaalsContact CB-C 3.48Å; V106-V131 HydrophobicContact CB-CG2 4.15Å; V106-V131 HydrophobicContact CG1-CG2 3.92Å; V106-V131 PolarHBondContact O-N 2.87Å; I129-V131 HydrophobicContact CG1-CG1 4.21Å |
| 132 | A | 93.5 | Very high | 83 | Confident | 20 Ų | 20 | 87 Ų | 87 | 17% | 0.165 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 179.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | W68 V106 | W68-A132 HydrophobicContact CD2-CB 4.46Å; W68-A132 HydrophobicContact CE3-CB 4.37Å; W68-A132 HydrophobicContact CH2-CB 3.88Å; W68-A132 HydrophobicContact CZ2-CB 3.98Å; W68-A132 HydrophobicContact CZ3-CB 4.08Å; V106-A132 HydrophobicContact CB-CB 4.25Å; V106-A132 HydrophobicContact CG2-CB 4.31Å; V106-A132 PolarHBondContact N-O 2.8Å |
| 133 | C | 95.8 | Very high | 80.5 | Confident | 5 Ų | 5 | 86.1 Ų | 86.1 | 3% | 0.034 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.7 | 164.9 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | C66 W68 C88 E104 | C66-C133 HydrophobicContact CB-CB 4.06Å; W68-C133 HydrophobicContact CB-CB 4.2Å; W68-C133 HydrophobicContact CE3-CB 4.08Å; W68-C133 VanDerWaalsContact CE3-N 3.34Å; C88-C133 WeakPolarHBondContact CA-SG 3.03Å; C88-C133 HydrophobicContact CB-CB 3.95Å; C88-C133 WeakPolarHBondContact CB-SG 3.45Å; C88-C133 PolarHBondContact N-SG 2.84Å; C88-C133 WeakPolarHBondContact SG-CB 3.1Å; C88-C133 CovalentContact SG-SG 2.03Å; C88-C133 PolarHBondContact SG-SG 2.93Å; E104-C133 CarbonylContact O-C 3.56Å; E104-C133 VanDerWaalsContact O-CA 3.31Å; E104-C133 WeakPolarHBondContact O-CA 3.39Å |
| 134 | M | 94.9 | Very high | 78.2 | Confident | 89 Ų | 89 | 86.2 Ų | 86.2 | 44% | 0.438 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148 | -179.7 | 66.9 | 175.9 | -81.8 | 0 | 0 | 111.6 | E104 V106 V136 | E104-M134 PolarHBondContact N-O 3.19Å; E104-M134 PolarHBondContact O-N 2.81Å; V106-M134 HydrophobicContact CG2-CB 3.88Å; V106-M134 HydrophobicContact CG2-CG 3.56Å; V106-M134 HydrophobicContact CG2-SD 3.64Å; M134-V136 HydrophobicContact CE-CG1 3.95Å; M134-V136 HydrophobicContact CG-CG1 4.46Å; M134-V136 PolarHBondContact O-N 2.88Å |
| 135 | P | 94.8 | Very high | 76 | Confident | 41 Ų | 41 | 86.3 Ų | 86.3 | 27% | 0.266 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 127.1 | 171.9 | 32.7 | -38.8 | 0 | 0 | 0 | 109.7 | I65 C66 A93 F101 E102 | I65-P135 HydrophobicContact CD1-CB 3.92Å; I65-P135 HydrophobicContact CD1-CG 3.54Å; I65-P135 HydrophobicContact CG1-CB 4.4Å; I65-P135 HydrophobicContact CG1-CG 4Å; C66-P135 VanDerWaalsContact SG-N 3.45Å; A93-P135 HydrophobicContact CB-CB 4Å; F101-P135 HydrophobicContact CB-CB 4.04Å; F101-P135 HydrophobicContact CD1-CB 4.11Å; F101-P135 HydrophobicContact CG-CB 4.38Å; E102-P135 CarbonylContact O-C 3.49Å; E102-P135 WeakPolarHBondContact O-CA 3.19Å |
| 136 | V | 92.1 | Very high | 74.1 | Confident | 48 Ų | 48 | 87.8 Ų | 87.8 | 29% | 0.291 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.8 | 169 | -78.5 | 0 | 0 | 0 | 0 | 109.5 | F101 E102 E104 M134 | F101-V136 CarbonylContact C-O 3.52Å; F101-V136 VanDerWaalsContact CA-O 3.3Å; F101-V136 WeakPolarHBondContact CA-O 3.35Å; E102-V136 HydrophobicContact CB-CG2 4.41Å; E102-V136 PolarHBondContact N-O 2.87Å; E102-V136 WeakPolarHBondContact O-CG2 3.43Å; E102-V136 PolarHBondContact O-N 2.03Å; E104-V136 HydrophobicContact CB-CG1 4.49Å; E104-V136 HydrophobicContact CB-CG2 3.64Å; E104-V136 HydrophobicContact CG-CG2 3.26Å; M134-V136 HydrophobicContact CE-CG1 3.95Å; M134-V136 HydrophobicContact CG-CG1 4.46Å; M134-V136 PolarHBondContact O-N 2.88Å |
| 137 | R | 83.9 | Confident | 72.4 | Confident | 118 Ų | 118 | 87.3 Ų | 87.3 | 45% | 0.445 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 131.2 | 173.1 | -163.7 | 176.1 | 177.5 | -169.1 | -0.8 | 107.9 | F101 A139 | F101-R137 HydrophobicContact CD1-CB 3.92Å; F101-R137 HydrophobicContact CE1-CB 3.55Å; F101-R137 HydrophobicContact CE1-CG 4.12Å; F101-R137 HydrophobicContact CZ-CB 4.08Å; F101-R137 HydrophobicContact CZ-CG 4.16Å; R137-A139 PolarHBondContact O-N 2.87Å |
| 138 | E | 67.5 | Low | 70.5 | Confident | 127 Ų | 127 | 89.6 Ų | 89.6 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | trans | -61.2 | 103.7 | 167.6 | -165 | -176.6 | -170.4 | 0 | 0 | 108 | S140 | E138-S140 PolarHBondContact O-N 3.1Š| ||
| 139 | A | 58.3 | Low | 68.6 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 72% | 0.719 | 47% | 0.468 | S | S | * | . | trans | -74 | 85.7 | 176 | 0 | 0 | 0 | 0 | 0 | 107.3 | R137 H141 | R137-A139 PolarHBondContact O-N 2.87Å; A139-H141 PolarHBondContact O-N 3.33Å | ||
| 140 | S | 50.6 | Low | 66.6 | Low | 79 Ų | 79 | 93.9 Ų | 93.9 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | trans | -56.3 | 117.7 | 160.4 | 26.1 | 0 | 0 | 0 | 0 | 106.1 | E138 K142 M143 | E138-S140 PolarHBondContact O-N 3.1Å; S140-K142 PolarHBondContact O-N 3.02Å; S140-M143 PolarHBondContact O-N 2.88Å; S140-M143 VanDerWaalsContact O-N 3.12Å | ||
| 141 | H | 47 | Very low | 64.7 | Low | 204 Ų | 204 | 98.9 Ų | 98.9 | 94% | 0.944 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -0.4 | -178.8 | -116.5 | -113.4 | 0 | 0 | 0 | 115 | A139 | A139-H141 PolarHBondContact O-N 3.33Š|
| 142 | K | 41.7 | Very low | 62.8 | Low | 198 Ų | 198 | 102.6 Ų | 102.6 | 86% | 0.861 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 1.8 | -178.8 | -79.4 | -174.5 | 172.5 | 179.6 | 0 | 115.7 | S140 | S140-K142 PolarHBondContact O-N 3.02Š|
| 143 | M | 41.2 | Very low | 60.6 | Low | 128 Ų | 128 | 108 Ų | 108 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | trans | -132.4 | 73 | -178.8 | -76.3 | -161.6 | 157.8 | 0 | 0 | 114.8 | S140 | S140-M143 PolarHBondContact O-N 2.88Å; S140-M143 VanDerWaalsContact O-N 3.12Å | ||
| 144 | I | 46 | Very low | 58.1 | Low | 173 Ų | 173 | 110.1 Ų | 110.1 | 89% | 0.887 | 59% | 0.591 | S | S | * | * | trans | -93.7 | 79.7 | 140.1 | -54.2 | 175.7 | 0 | 0 | 0 | 106.3 | ||||
| 145 | K | 45.2 | Very low | 55.4 | Low | 181 Ų | 181 | 110 Ų | 110 | 79% | 0.787 | 60% | 0.597 | S | S | * | * | trans | -113.6 | 113.4 | 156.4 | -88.2 | -169.2 | 175.3 | -175.7 | 0 | 106.2 | S147 | K145-S147 PolarHBondContact O-N 2.96Š| ||
| 146 | G | 51.1 | Low | 53.1 | Low | 49 Ų | 49 | 117.7 Ų | 117.7 | 51% | 0.505 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.9 | -1.2 | -152 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 147 | S | 54 | Low | 50.3 | Low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79.8 | -35.2 | -167.5 | 146.5 | 0 | 0 | 0 | 0 | 115.4 | K145 T151 | K145-S147 PolarHBondContact O-N 2.96Å; S147-T151 PolarHBondContact O-OG1 3.34Å |
| 148 | L | 51.5 | Low | 48.1 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 39% | 0.393 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -87.9 | -25.4 | -174 | -146.1 | 94.7 | 0 | 0 | 0 | 113.2 | T151 M152 | L148-T151 PolarHBondContact O-N 3.33Å; L148-M152 HydrophobicContact CD2-CE 4.42Å; L148-M152 PolarHBondContact O-N 3.46Å |
| 149 | V | 51.4 | Low | 47.2 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 44% | 0.436 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -74.8 | -34.6 | -179.1 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | T151 M152 L153 | V149-T151 VanDerWaalsContact C-N 3.25Å; V149-T151 PolarHBondContact O-N 3.49Å; V149-M152 PolarHBondContact O-N 3.06Å; V149-L153 HydrophobicContact CG1-CD1 3.48Å; V149-L153 VanDerWaalsContact CG1-CD1 3.48Å; V149-L153 HydrophobicContact CG1-CG 4.09Å; V149-L153 WeakPolarHBondContact O-CB 3.4Å; V149-L153 PolarHBondContact O-N 2.91Å |
| 150 | E | 50.9 | Low | 46.6 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -60.7 | -32.6 | 173.7 | -86 | 178.9 | 154.8 | 0 | 0 | 112.7 | A154 | E150-A154 WeakPolarHBondContact O-CA 3.21Å; E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.12Å |
| 151 | T | 55.1 | Low | 46.4 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -80.4 | -31.2 | 179.7 | -34.5 | 0 | 0 | 0 | 0 | 113.1 | S147 L148 V149 | S147-T151 PolarHBondContact O-OG1 3.34Å; L148-T151 PolarHBondContact O-N 3.33Å; V149-T151 VanDerWaalsContact C-N 3.25Å; V149-T151 PolarHBondContact O-N 3.49Å |
| 152 | M | 51.9 | Low | 46.3 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 53% | 0.532 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -86.8 | -24.9 | -179.8 | -72.8 | -175.5 | 171.3 | 0 | 0 | 113.5 | F101 L148 V149 | F101-M152 HydrophobicContact CE1-SD 4.32Å; F101-M152 HydrophobicContact CE2-CE 4.26Å; F101-M152 HydrophobicContact CZ-CE 3.66Å; F101-M152 HydrophobicContact CZ-SD 3.86Å; L148-M152 HydrophobicContact CD2-CE 4.42Å; L148-M152 PolarHBondContact O-N 3.46Å; V149-M152 PolarHBondContact O-N 3.06Å |
| 153 | L | 48.4 | Very low | 46.6 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -107.1 | 3.9 | 177.6 | -61.1 | -179.3 | 0 | 0 | 0 | 113.1 | V149 P155 | V149-L153 HydrophobicContact CG1-CD1 3.48Å; V149-L153 VanDerWaalsContact CG1-CD1 3.48Å; V149-L153 HydrophobicContact CG1-CG 4.09Å; V149-L153 WeakPolarHBondContact O-CB 3.4Å; V149-L153 PolarHBondContact O-N 2.91Å; L153-P155 VanDerWaalsContact O-CD 3.27Å; L153-P155 WeakPolarHBondContact O-CD 3.27Å |
| 154 | A | 42.9 | Very low | 47 | Very low | 50 Ų | 50 | 132 Ų | 132 | 41% | 0.413 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -55.3 | 118.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | E150 Y156 | E150-A154 WeakPolarHBondContact O-CA 3.21Å; E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.12Å; A154-Y156 PolarHBondContact O-N 2.89Å; A154-Y156 VanDerWaalsContact O-N 3.1Å |
| 155 | P | 37.7 | Very low | 47.1 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | trans | -58.7 | 122.8 | 174.8 | 23.1 | -30.8 | 0 | 0 | 0 | 107.4 | L153 Y157 | L153-P155 VanDerWaalsContact O-CD 3.27Å; L153-P155 WeakPolarHBondContact O-CD 3.27Å; P155-Y157 VanDerWaalsContact C-N 3.32Å; P155-Y157 HydrophobicContact CB-CE2 4.31Å; P155-Y157 HydrophobicContact CG-CD2 4.22Å; P155-Y157 HydrophobicContact CG-CE2 3.62Å; P155-Y157 WeakPolarHBondContact O-CD2 3.44Å; P155-Y157 PolarHBondContact O-N 2.64Å | ||
| 156 | Y | 47.1 | Very low | 47.2 | Very low | 204 Ų | 204 | 125.1 Ų | 125.1 | 80% | 0.8 | 64% | 0.639 | S | S | * | * | trans | -61.2 | 102 | 164.5 | -75.6 | -86.6 | 0 | 0 | 0 | 106.5 | A154 Y158 | A154-Y156 PolarHBondContact O-N 2.89Å; A154-Y156 VanDerWaalsContact O-N 3.1Å; Y156-Y158 PolarHBondContact O-N 3.47Å | ||
| 157 | Y | 32.7 | Very low | 46.9 | Very low | 210 Ų | 210 | 131.4 Ų | 131.4 | 82% | 0.824 | 65% | 0.65 | S | S | * | * | trans | -76.2 | 106.9 | 164.3 | -73.3 | -81.3 | 0 | 0 | 0 | 106.7 | P155 | P155-Y157 VanDerWaalsContact C-N 3.32Å; P155-Y157 HydrophobicContact CB-CE2 4.31Å; P155-Y157 HydrophobicContact CG-CD2 4.22Å; P155-Y157 HydrophobicContact CG-CE2 3.62Å; P155-Y157 WeakPolarHBondContact O-CD2 3.44Å; P155-Y157 PolarHBondContact O-N 2.64Å | ||
| 158 | Y | 38.8 | Very low | 46.2 | Very low | 287 Ų | 287 | 135 Ų | 135 | 100% | 1.125 | 65% | 0.65 | S | S | * | * | trans | -75.8 | 0 | 163.7 | 3.9 | -98.1 | 0 | 0 | 0 | 110.3 | Y156 | Y156-Y158 PolarHBondContact O-N 3.47Š|
Retrieved 158 of 158 residues in 66.4 ms
(Link to these results)