| 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 | 48.3 | Very low | 55.5 | Low | 245 Ų | 245 | 118.5 Ų | 118.5 | 100% | 1.207 | 63% | 0.634 | S | S | * | * | 0 | 146.2 | 0 | -68.2 | 146 | 63 | 0 | 0 | 108 | |||||
| 2 | S | 52.2 | Low | 55.1 | Low | 81 Ų | 81 | 124.3 Ų | 124.3 | 57% | 0.566 | 64% | 0.641 | S | S | * | * | -135.4 | 150.3 | -85.3 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | A4 A5 | S2-A4 PolarHBondContact O-N 2.96Å; S2-A5 WeakPolarHBondContact O-CB 3.48Å; S2-A5 PolarHBondContact O-N 3.3Å | |||
| 3 | L | 50.3 | Low | 55.1 | Low | 137 Ų | 137 | 122.5 Ų | 122.5 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -54.4 | -26.1 | 174.8 | -78.6 | 144.4 | 0 | 0 | 0 | 112.7 | A5 E6 M7 | L3-A5 PolarHBondContact O-N 3.12Å; L3-E6 PolarHBondContact O-N 3.22Å; L3-M7 WeakPolarHBondContact O-CG 3.48Å; L3-M7 PolarHBondContact O-N 2.98Å |
| 4 | A | 58.4 | Low | 54.9 | Low | 57 Ų | 57 | 119.6 Ų | 119.6 | 47% | 0.471 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -55.7 | -31.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S2 L8 | S2-A4 PolarHBondContact O-N 2.96Å; A4-L8 VanDerWaalsContact O-CB 3.3Å; A4-L8 WeakPolarHBondContact O-CB 3.48Å; A4-L8 WeakPolarHBondContact O-CD1 3.29Å; A4-L8 VanDerWaalsContact O-CG 3.29Å; A4-L8 WeakPolarHBondContact O-CG 3.32Å; A4-L8 PolarHBondContact O-N 2.91Å |
| 5 | A | 58.9 | Low | 54.4 | Low | 60 Ų | 60 | 121.9 Ų | 121.9 | 50% | 0.496 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.7 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2 L3 L8 W9 | S2-A5 WeakPolarHBondContact O-CB 3.48Å; S2-A5 PolarHBondContact O-N 3.3Å; L3-A5 PolarHBondContact O-N 3.12Å; A5-L8 PolarHBondContact O-N 2.96Å; A5-W9 WeakPolarHBondContact O-CB 3.13Å; A5-W9 PolarHBondContact O-N 3.38Å |
| 6 | E | 59.3 | Low | 54 | Low | 131 Ų | 131 | 120.5 Ų | 120.5 | 61% | 0.612 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70 | -35 | 176.7 | -64.3 | -174.8 | 160.1 | 0 | 0 | 111.9 | L3 W9 S10 | L3-E6 PolarHBondContact O-N 3.22Å; E6-W9 PolarHBondContact O-N 3.06Å; E6-S10 WeakPolarHBondContact O-CB 3.32Å; E6-S10 PolarHBondContact O-N 3.18Å; E6-S10 PolarHBondContact O-OG 2.94Å |
| 7 | M | 57.6 | Low | 53.1 | Low | 124 Ų | 124 | 121.4 Ų | 121.4 | 61% | 0.611 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64 | -43.6 | 171.6 | -70.7 | -64.8 | -66.4 | 0 | 0 | 111.8 | L3 S10 L11 | L3-M7 WeakPolarHBondContact O-CG 3.48Å; L3-M7 PolarHBondContact O-N 2.98Å; M7-S10 PolarHBondContact O-N 3.14Å; M7-L11 WeakPolarHBondContact O-CB 3.29Å; M7-L11 PolarHBondContact O-N 3.18Å |
| 8 | L | 58.3 | Low | 52.4 | Low | 115 Ų | 115 | 121.7 Ų | 121.7 | 60% | 0.602 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.9 | -41 | 173.8 | -82.9 | 165.6 | 0 | 0 | 0 | 112 | A4 A5 L11 W12 | A4-L8 VanDerWaalsContact O-CB 3.3Å; A4-L8 WeakPolarHBondContact O-CB 3.48Å; A4-L8 WeakPolarHBondContact O-CD1 3.29Å; A4-L8 VanDerWaalsContact O-CG 3.29Å; A4-L8 WeakPolarHBondContact O-CG 3.32Å; A4-L8 PolarHBondContact O-N 2.91Å; A5-L8 PolarHBondContact O-N 2.96Å; L8-L11 PolarHBondContact O-N 2.88Å; L8-W12 PolarHBondContact O-N 3.16Å |
| 9 | W | 57.1 | Low | 51.8 | Low | 186 Ų | 186 | 121.2 Ų | 121.2 | 71% | 0.705 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66 | -40.2 | 178.6 | -153.7 | 13.5 | 0 | 0 | 0 | 111.7 | A5 E6 W12 I13 | A5-W9 WeakPolarHBondContact O-CB 3.13Å; A5-W9 PolarHBondContact O-N 3.38Å; E6-W9 PolarHBondContact O-N 3.06Å; W9-W12 WeakPolarHBondContact O-CB 3.04Å; W9-W12 PolarHBondContact O-N 3.23Å; W9-I13 WeakPolarHBondContact O-CG1 3.27Å; W9-I13 PolarHBondContact O-N 3.34Å |
| 10 | S | 56.2 | Low | 50.9 | Low | 64 Ų | 64 | 119.8 Ų | 119.8 | 45% | 0.448 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.9 | -39.3 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | E6 M7 I13 S14 | E6-S10 WeakPolarHBondContact O-CB 3.32Å; E6-S10 PolarHBondContact O-N 3.18Å; E6-S10 PolarHBondContact O-OG 2.94Å; M7-S10 PolarHBondContact O-N 3.14Å; S10-I13 PolarHBondContact O-N 3.25Å; S10-S14 WeakPolarHBondContact O-CB 3.36Å; S10-S14 PolarHBondContact O-N 3.4Å; S10-S14 PolarHBondContact O-OG 3.39Å |
| 11 | L | 54.3 | Low | 50.1 | Low | 104 Ų | 104 | 121.4 Ų | 121.4 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.8 | -37.5 | 170.9 | -93.9 | 152.7 | 0 | 0 | 0 | 112.2 | M7 L8 S14 M15 | M7-L11 WeakPolarHBondContact O-CB 3.29Å; M7-L11 PolarHBondContact O-N 3.18Å; L8-L11 PolarHBondContact O-N 2.88Å; L11-S14 WeakPolarHBondContact O-CB 3.49Å; L11-S14 PolarHBondContact O-N 3.36Å; L11-M15 WeakPolarHBondContact O-CG 3.03Å; L11-M15 PolarHBondContact O-N 3.43Å |
| 12 | W | 50.6 | Low | 49.5 | Very low | 187 Ų | 187 | 115.3 Ų | 115.3 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.6 | -47.2 | 174.4 | -118.8 | 62.2 | 0 | 0 | 0 | 111.8 | L8 W9 S14 M15 V16 | L8-W12 PolarHBondContact O-N 3.16Å; W9-W12 WeakPolarHBondContact O-CB 3.04Å; W9-W12 PolarHBondContact O-N 3.23Å; W12-S14 PolarHBondContact O-N 3.15Å; W12-M15 PolarHBondContact O-N 2.91Å; W12-M15 VanDerWaalsContact O-N 3.08Å; W12-V16 WeakPolarHBondContact O-CG2 3.46Å; W12-V16 PolarHBondContact O-N 3.28Å |
| 13 | I | 54.7 | Low | 48.9 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 52% | 0.523 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -59.8 | -38.1 | 174.9 | -67.2 | 163.2 | 0 | 0 | 0 | 110.7 | W9 S10 M15 V16 L17 | W9-I13 WeakPolarHBondContact O-CG1 3.27Å; W9-I13 PolarHBondContact O-N 3.34Å; S10-I13 PolarHBondContact O-N 3.25Å; I13-M15 VanDerWaalsContact C-N 3.34Å; I13-M15 PolarHBondContact O-N 3Å; I13-V16 PolarHBondContact O-N 3.08Å; I13-L17 PolarHBondContact O-N 2.69Å |
| 14 | S | 52 | Low | 48.4 | Very low | 81 Ų | 81 | 122.4 Ų | 122.4 | 57% | 0.566 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67 | -30.3 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | S10 L11 W12 | S10-S14 WeakPolarHBondContact O-CB 3.36Å; S10-S14 PolarHBondContact O-N 3.4Å; S10-S14 PolarHBondContact O-OG 3.39Å; L11-S14 WeakPolarHBondContact O-CB 3.49Å; L11-S14 PolarHBondContact O-N 3.36Å; W12-S14 PolarHBondContact O-N 3.15Å |
| 15 | M | 48.6 | Very low | 48.1 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -82.9 | -23.9 | 175.4 | -73 | -108.7 | -82.3 | 0 | 0 | 113.4 | L11 W12 I13 L17 | L11-M15 WeakPolarHBondContact O-CG 3.03Å; L11-M15 PolarHBondContact O-N 3.43Å; W12-M15 PolarHBondContact O-N 2.91Å; W12-M15 VanDerWaalsContact O-N 3.08Å; I13-M15 VanDerWaalsContact C-N 3.34Å; I13-M15 PolarHBondContact O-N 3Å; M15-L17 VanDerWaalsContact C-N 3.33Å |
| 16 | V | 46.5 | Very low | 48.2 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 61% | 0.606 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.2 | -15.3 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | W12 I13 I18 | W12-V16 WeakPolarHBondContact O-CG2 3.46Å; W12-V16 PolarHBondContact O-N 3.28Å; I13-V16 PolarHBondContact O-N 3.08Å; V16-I18 PolarHBondContact O-N 3.26Å |
| 17 | L | 40.3 | Very low | 48.7 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 71% | 0.707 | 66% | 0.661 | S | S | * | * | trans | -72.6 | 61.5 | 164.2 | -73.3 | 172.2 | 0 | 0 | 0 | 111.8 | I13 M15 P19 | I13-L17 PolarHBondContact O-N 2.69Å; M15-L17 VanDerWaalsContact C-N 3.33Å; L17-P19 WeakPolarHBondContact O-CD 3.28Å | ||
| 18 | I | 40.4 | Very low | 50 | Low | 127 Ų | 127 | 124 Ų | 124 | 65% | 0.651 | 66% | 0.661 | S | S | * | * | trans | -52.1 | 127 | 162 | -60.7 | 172.7 | 0 | 0 | 0 | 107.1 | V16 A20 | V16-I18 PolarHBondContact O-N 3.26Å; I18-A20 PolarHBondContact O-N 3.07Å | ||
| 19 | P | 40 | Very low | 51.6 | Low | 112 Ų | 112 | 118.5 Ų | 118.5 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | trans | -57.5 | 108.9 | 169.9 | -23.7 | 34.4 | 0 | 0 | 0 | 108.8 | L17 H21 | L17-P19 WeakPolarHBondContact O-CD 3.28Å; P19-H21 PolarHBondContact O-N 3.35Å; P19-H21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | A | 34.9 | Very low | 53.3 | Low | 93 Ų | 93 | 112.3 Ų | 112.3 | 77% | 0.769 | 62% | 0.615 | S | S | * | * | trans | -48.7 | 125 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | I18 S22 | I18-A20 PolarHBondContact O-N 3.07Å; A20-S22 PolarHBondContact O-N 3.01Å | ||
| 21 | H | 33.9 | Very low | 55.1 | Low | 155 Ų | 155 | 109.6 Ų | 109.6 | 72% | 0.718 | 60% | 0.596 | S | S | * | * | trans | -50.1 | 118.3 | -158 | -76 | 11.4 | 0 | 0 | 0 | 110.6 | P19 H23 | P19-H21 PolarHBondContact O-N 3.35Å; P19-H21 VanDerWaalsContact O-N 3.13Å; H21-H23 PolarHBondContact O-CD2 3.14Å; H21-H23 VanDerWaalsContact O-CD2 3.31Å; H21-H23 PolarHBondContact O-N 3.27Å | ||
| 22 | S | 35.8 | Very low | 57 | Low | 117 Ų | 117 | 105.7 Ų | 105.7 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | trans | -66.3 | 89 | 165.6 | -173.8 | 0 | 0 | 0 | 0 | 106.1 | A20 K24 | A20-S22 PolarHBondContact O-N 3.01Å; S22-K24 PolarHBondContact O-N 3.43Å | ||
| 23 | H | 38.2 | Very low | 59.1 | Low | 165 Ų | 165 | 96.9 Ų | 96.9 | 76% | 0.764 | 54% | 0.543 | S | S | * | . | trans | -50.8 | 112.9 | 169.3 | -78.5 | -100.7 | 0 | 0 | 0 | 105.4 | H21 A25 | H21-H23 PolarHBondContact O-CD2 3.14Å; H21-H23 VanDerWaalsContact O-CD2 3.31Å; H21-H23 PolarHBondContact O-N 3.27Å; H23-A25 PolarHBondContact O-N 2.87Å | ||
| 24 | K | 41.3 | Very low | 61 | Low | 202 Ų | 202 | 92.4 Ų | 92.4 | 88% | 0.878 | 52% | 0.52 | S | S | * | . | trans | -59.2 | 97.4 | 167.6 | -79.6 | -175.6 | 174.5 | -179.8 | 0 | 105.7 | S22 S26 | S22-K24 PolarHBondContact O-N 3.43Å; K24-S26 PolarHBondContact O-N 2.83Å; K24-S26 VanDerWaalsContact O-N 3.13Å | ||
| 25 | A | 52.1 | Low | 62.9 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 63% | 0.628 | 49% | 0.493 | S | S | * | . | trans | -56.5 | 122.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | H23 | H23-A25 PolarHBondContact O-N 2.87Š| ||
| 26 | S | 60.4 | Low | 65 | Low | 97 Ų | 97 | 82 Ų | 82 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | trans | -53 | 138 | 173.1 | -57.4 | 0 | 0 | 0 | 0 | 108.3 | K24 R28 | K24-S26 PolarHBondContact O-N 2.83Å; K24-S26 VanDerWaalsContact O-N 3.13Å; S26-R28 PolarHBondContact O-N 2.88Å | ||
| 27 | P | 69.8 | Low | 67.1 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | trans | -45.7 | 118.2 | 172.6 | -30.8 | 37.4 | 0 | 0 | 0 | 110.4 | W43 | P27-W43 HydrophobicContact CB-CH2 3.56Å; P27-W43 HydrophobicContact CB-CZ2 3.57Å; P27-W43 HydrophobicContact CB-CZ3 4.46Å | ||
| 28 | R | 85.6 | Confident | 69.7 | Low | 157 Ų | 157 | 74.1 Ų | 74.1 | 59% | 0.592 | 42% | 0.417 | S | S | * | . | trans | -142.3 | 140.7 | -174.9 | -175.3 | 168.9 | -179.9 | 174.8 | 2.5 | 111.5 | S26 V30 W43 T44 E115 | S26-R28 PolarHBondContact O-N 2.88Å; R28-V30 HydrophobicContact CG-CG2 4.43Å; R28-W43 VanDerWaalsContact C-CE3 3.49Å; R28-T44 PolarHBondContact N-OG1 2.75Å; R28-T44 PolarHBondContact O-N 2.95Å; R28-T44 VanDerWaalsContact O-N 3.12Å; R28-T44 PolarHBondContact O-OG1 3.13Å; R28-E115 WeakPolarHBondContact CA-OE1 3.21Å | ||
| 29 | L | 90.8 | Very high | 72.3 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.6 | 166.7 | -176.4 | 67.9 | 0 | 0 | 0 | 109.4 | C41 W43 I56 I105 L107 E115 I117 | L29-C41 HydrophobicContact CD1-CB 4.11Å; L29-W43 HydrophobicContact CB-CE3 4.33Å; L29-I56 HydrophobicContact CD1-CD1 3.75Å; L29-I56 HydrophobicContact CD1-CG1 4.31Å; L29-I105 HydrophobicContact CD2-CG2 4.18Å; L29-L107 HydrophobicContact CD2-CB 4.33Å; L29-E115 HydrophobicContact CB-CB 4.4Å; L29-E115 HydrophobicContact CB-CG 3.49Å; L29-E115 VanDerWaalsContact CB-CG 3.49Å; L29-E115 PolarHBondContact N-OE1 3.03Å; L29-I117 HydrophobicContact CB-CD1 4.32Å; L29-I117 HydrophobicContact CD2-CD1 4.03Å; L29-I117 HydrophobicContact CD2-CG1 4.28Å; L29-I117 HydrophobicContact CG-CD1 4.04Å |
| 30 | V | 92.4 | Very high | 75 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 113.5 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | R28 C41 S42 T44 | R28-V30 HydrophobicContact CG-CG2 4.43Å; V30-C41 CarbonylContact O-C 3.49Å; V30-C41 WeakPolarHBondContact O-CA 3.35Å; V30-S42 PolarHBondContact N-O 3.13Å; V30-S42 PolarHBondContact O-N 3.33Å; V30-S42 PolarHBondContact O-OG 3.13Å; V30-T44 HydrophobicContact CG2-CG2 4.13Å |
| 31 | C | 94.3 | Very high | 77.8 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 141.8 | -179.6 | -65 | 0 | 0 | 0 | 0 | 111.2 | V39 S40 C41 I105 I117 Y120 | C31-V39 HydrophobicContact CB-CG1 4.28Å; C31-S40 WeakPolarHBondContact CA-O 3.35Å; C31-C41 HydrophobicContact CB-CB 4.13Å; C31-C41 WeakPolarHBondContact CB-SG 3.15Å; C31-C41 WeakPolarHBondContact SG-CB 3.48Å; C31-C41 CovalentContact SG-SG 2.04Å; C31-C41 PolarHBondContact SG-SG 3.24Å; C31-I105 HydrophobicContact CB-CD1 3.94Å; C31-I117 HydrophobicContact CB-CD1 4.27Å; C31-Y120 HydrophobicContact CB-CE2 3.94Å |
| 32 | T | 95.2 | Very high | 80.6 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 165.4 | 169.7 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | V39 S40 H125 K127 H213 | T32-V39 CarbonylContact O-C 3.56Å; T32-V39 WeakPolarHBondContact O-CA 3.45Å; T32-S40 PolarHBondContact N-O 3.27Å; T32-S40 PolarHBondContact O-N 3.25Å; T32-H125 CarbonylContact C-O 3.57Å; T32-H125 WeakPolarHBondContact CA-O 3.12Å; T32-H125 WeakPolarHBondContact CB-O 3.27Å; T32-K127 HydrophobicContact CG2-CB 4.24Å; T32-H213 VanDerWaalsContact CG2-CD2 3.5Å; T32-H213 WeakPolarHBondContact CG2-CD2 3.4Å |
| 33 | N | 94.5 | Very high | 83.1 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158.5 | 179.7 | 74.7 | 105.5 | 0 | 0 | 0 | 112 | L35 N38 V39 F96 Y120 P122 H125 I126 K127 | N33-L35 VanDerWaalsContact C-N 3.29Å; N33-L35 PolarHBondContact O-N 3.1Å; N33-L35 VanDerWaalsContact OD1-CA 3.3Å; N33-L35 WeakPolarHBondContact OD1-CA 3.49Å; N33-L35 PolarHBondContact OD1-N 2.04Å; N33-N38 VanDerWaalsContact CA-O 3.23Å; N33-N38 WeakPolarHBondContact CA-O 3.46Å; N33-N38 WeakPolarHBondContact CB-O 3.37Å; N33-V39 HydrophobicContact CB-CG2 4.21Å; N33-F96 HydrophobicContact CB-CE2 4.42Å; N33-Y120 PolarHBondContact ND2-OH 2.92Å; N33-P122 WeakPolarHBondContact ND2-CA 3.19Å; N33-P122 PolarHBondContact ND2-O 2.77Å; N33-P122 WeakPolarHBondContact OD1-CB 3.38Å; N33-H125 PolarHBondContact N-O 3.45Å; N33-H125 PolarHBondContact ND2-O 3.13Å; N33-I126 CarbonylContact O-C 3.58Å; N33-I126 VanDerWaalsContact O-CA 3.31Å; N33-I126 WeakPolarHBondContact O-CA 3.5Å; N33-K127 PolarHBondContact O-N 3.4Å |
| 34 | D | 93.1 | Very high | 85.3 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | trans | -84.9 | 1.9 | -179.8 | 62.1 | -0.4 | 0 | 0 | 0 | 114.5 | V36 N37 N38 H129 | D34-V36 PolarHBondContact O-N 3.02Å; D34-V36 VanDerWaalsContact O-N 3.15Å; D34-V36 WeakPolarHBondContact OD1-CA 3.48Å; D34-V36 WeakPolarHBondContact OD1-CB 3.39Å; D34-V36 PolarHBondContact OD1-N 3.32Å; D34-N37 PolarHBondContact OD1-N 2.85Å; D34-N38 PolarHBondContact N-O 2.85Å; D34-N38 PolarHBondContact OD1-N 3.31Å; D34-N38 VanDerWaalsContact OD1-N 3.07Å; D34-N38 WeakPolarHBondContact OD2-CB 3.42Å; D34-H129 WeakPolarHBondContact CB-NE2 3.45Å; D34-H129 IonicContact OD2-CD2 2.66Å; D34-H129 IonicContact OD2-CE1 2.66Å; D34-H129 IonicContact OD2-NE2 3.48Å; D34-H129 PolarHBondContact OD2-NE2 2.94Å | ||
| 35 | L | 92.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 54.7 | 16.8 | -166.1 | -152.6 | 75.7 | 0 | 0 | 0 | 113.7 | N33 F96 P122 I126 S154 F157 | N33-L35 VanDerWaalsContact C-N 3.29Å; N33-L35 PolarHBondContact O-N 3.1Å; N33-L35 VanDerWaalsContact OD1-CA 3.3Å; N33-L35 WeakPolarHBondContact OD1-CA 3.49Å; N33-L35 PolarHBondContact OD1-N 2.04Å; L35-F96 HydrophobicContact CD1-CB 4.06Å; L35-F96 HydrophobicContact CG-CB 4.42Å; L35-P122 HydrophobicContact CD1-CB 4.18Å; L35-I126 HydrophobicContact CB-CD1 4.4Å; L35-I126 HydrophobicContact CB-CG2 4.4Å; L35-I126 HydrophobicContact CD1-CD1 4.12Å; L35-I126 HydrophobicContact CD1-CG1 4.31Å; L35-I126 HydrophobicContact CD2-CD1 4.01Å; L35-I126 HydrophobicContact CG-CD1 4.41Å; L35-S154 WeakPolarHBondContact O-CB 3.46Å; L35-S154 PolarHBondContact O-OG 3.21Å; L35-F157 HydrophobicContact CB-CE1 4.39Å; L35-F157 HydrophobicContact CB-CE2 4.49Å; L35-F157 HydrophobicContact CB-CZ 3.84Å; L35-F157 HydrophobicContact CD2-CD1 4.36Å; L35-F157 HydrophobicContact CD2-CE1 3.86Å; L35-F157 HydrophobicContact CD2-CZ 4.07Å |
| 36 | V | 92.1 | Very high | 87.5 | Confident | 16 Ų | 16 | 37.5 Ų | 37.5 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -104.1 | -90.8 | 169.3 | -174.6 | 0 | 0 | 0 | 0 | 107.1 | D34 K95 F96 P152 | D34-V36 PolarHBondContact O-N 3.02Å; D34-V36 VanDerWaalsContact O-N 3.15Å; D34-V36 WeakPolarHBondContact OD1-CA 3.48Å; D34-V36 WeakPolarHBondContact OD1-CB 3.39Å; D34-V36 PolarHBondContact OD1-N 3.32Å; V36-K95 CarbonylContact O-C 3.55Å; V36-K95 WeakPolarHBondContact O-CA 3.47Å; V36-F96 VanDerWaalsContact O-CD2 3.32Å; V36-F96 WeakPolarHBondContact O-CD2 3.47Å; V36-F96 PolarHBondContact O-N 3.33Å; V36-P152 HydrophobicContact CB-CG 4.27Å; V36-P152 HydrophobicContact CG1-CB 4.27Å; V36-P152 HydrophobicContact CG1-CG 4.13Å; V36-P152 HydrophobicContact CG2-CB 4.12Å; V36-P152 HydrophobicContact CG2-CG 4.04Å |
| 37 | N | 92.1 | Very high | 87.7 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -141.1 | -1.2 | -176.2 | 66.3 | 1.6 | 0 | 0 | 0 | 114.6 | D34 V90 F91 T94 | D34-N37 PolarHBondContact OD1-N 2.85Å; N37-V90 HydrophobicContact CB-CG1 4.15Å; N37-V90 VanDerWaalsContact CG-CG1 3.48Å; N37-V90 WeakPolarHBondContact O-CA 3.44Å; N37-F91 PolarHBondContact O-N 2.98Å; N37-T94 WeakPolarHBondContact CB-O 3.3Å |
| 38 | N | 94.6 | Very high | 87.4 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.1 | -171.2 | 176.3 | 26.6 | 0 | 0 | 0 | 111.3 | N33 D34 S88 V90 | N33-N38 VanDerWaalsContact CA-O 3.23Å; N33-N38 WeakPolarHBondContact CA-O 3.46Å; N33-N38 WeakPolarHBondContact CB-O 3.37Å; D34-N38 PolarHBondContact N-O 2.85Å; D34-N38 PolarHBondContact OD1-N 3.31Å; D34-N38 VanDerWaalsContact OD1-N 3.07Å; D34-N38 WeakPolarHBondContact OD2-CB 3.42Å; N38-S88 WeakPolarHBondContact OD1-CB 3.33Å; N38-V90 HydrophobicContact CB-CG2 4.17Å |
| 39 | V | 95.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.1 | 170.3 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | C31 T32 N33 S88 F89 F91 F96 M102 I105 | C31-V39 HydrophobicContact CB-CG1 4.28Å; T32-V39 CarbonylContact O-C 3.56Å; T32-V39 WeakPolarHBondContact O-CA 3.45Å; N33-V39 HydrophobicContact CB-CG2 4.21Å; V39-S88 CarbonylContact O-C 3.59Å; V39-S88 WeakPolarHBondContact O-CA 3.36Å; V39-F89 HydrophobicContact CB-CD2 4.23Å; V39-F89 HydrophobicContact CB-CE1 4.09Å; V39-F89 HydrophobicContact CB-CE2 3.71Å; V39-F89 HydrophobicContact CB-CZ 3.63Å; V39-F89 HydrophobicContact CG1-CE1 4.1Å; V39-F89 HydrophobicContact CG1-CE2 4.27Å; V39-F89 HydrophobicContact CG1-CZ 3.71Å; V39-F89 HydrophobicContact CG2-CE2 3.94Å; V39-F89 HydrophobicContact CG2-CZ 4.21Å; V39-F89 PolarHBondContact N-O 3.31Å; V39-F89 PolarHBondContact O-N 3.02Å; V39-F91 HydrophobicContact CG2-CE2 4.36Å; V39-F96 HydrophobicContact CG2-CE2 3.78Å; V39-F96 HydrophobicContact CG2-CZ 3.47Å; V39-F96 VanDerWaalsContact CG2-CZ 3.47Å; V39-M102 HydrophobicContact CG2-SD 4.35Å; V39-I105 HydrophobicContact CG1-CD1 3.93Å |
| 40 | S | 95.1 | Very high | 84.9 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 27% | 0.273 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.2 | -179.6 | -64.3 | 0 | 0 | 0 | 0 | 110 | C31 T32 S88 | C31-S40 WeakPolarHBondContact CA-O 3.35Å; T32-S40 PolarHBondContact N-O 3.27Å; T32-S40 PolarHBondContact O-N 3.25Å; S40-S88 WeakPolarHBondContact CB-OG 3.36Å; S40-S88 PolarHBondContact OG-OG 2.75Å |
| 41 | C | 94.6 | Very high | 83.5 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.034 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 145.1 | -174.4 | -65 | 0 | 0 | 0 | 0 | 112 | L29 V30 C31 I56 G86 C87 | L29-C41 HydrophobicContact CD1-CB 4.11Å; V30-C41 CarbonylContact O-C 3.49Å; V30-C41 WeakPolarHBondContact O-CA 3.35Å; C31-C41 HydrophobicContact CB-CB 4.13Å; C31-C41 WeakPolarHBondContact CB-SG 3.15Å; C31-C41 WeakPolarHBondContact SG-CB 3.48Å; C31-C41 CovalentContact SG-SG 2.04Å; C31-C41 PolarHBondContact SG-SG 3.24Å; C41-I56 HydrophobicContact CB-CD1 3.65Å; C41-I56 HydrophobicContact CB-CG2 4.14Å; C41-G86 CarbonylContact O-C 3.52Å; C41-G86 WeakPolarHBondContact O-CA 3.42Å; C41-C87 PolarHBondContact N-O 3.44Å; C41-C87 PolarHBondContact O-N 3.11Å |
| 42 | S | 92.3 | Very high | 82.2 | Confident | 36 Ų | 36 | 38.3 Ų | 38.3 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.1 | 178.5 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | V30 L85 | V30-S42 PolarHBondContact N-O 3.13Å; V30-S42 PolarHBondContact O-N 3.33Å; V30-S42 PolarHBondContact O-OG 3.13Å; S42-L85 CarbonylContact C-O 3.55Å; S42-L85 WeakPolarHBondContact CA-O 3.39Å |
| 43 | W | 89.1 | Confident | 81.7 | Confident | 17 Ų | 17 | 42 Ų | 42 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.3 | 179.4 | 176 | -109.8 | 0 | 0 | 0 | 110 | P27 R28 L29 G45 L48 L85 L107 V114 E115 | P27-W43 HydrophobicContact CB-CH2 3.56Å; P27-W43 HydrophobicContact CB-CZ2 3.57Å; P27-W43 HydrophobicContact CB-CZ3 4.46Å; R28-W43 VanDerWaalsContact C-CE3 3.49Å; L29-W43 HydrophobicContact CB-CE3 4.33Å; W43-G45 VanDerWaalsContact CD1-O 3.29Å; W43-G45 PolarHBondContact NE1-O 3.06Å; W43-L48 HydrophobicContact CG-CG 4.47Å; W43-L48 HydrophobicContact CZ2-CD1 4.09Å; W43-L85 HydrophobicContact CB-CB 4.31Å; W43-L85 PolarHBondContact N-O 3.5Å; W43-L107 HydrophobicContact CD2-CD2 3.88Å; W43-L107 HydrophobicContact CE3-CD2 3.6Å; W43-L107 HydrophobicContact CG-CD2 4.49Å; W43-L107 HydrophobicContact CH2-CD2 4.33Å; W43-L107 HydrophobicContact CZ3-CD2 3.87Å; W43-V114 HydrophobicContact CH2-CG1 4.21Å; W43-V114 HydrophobicContact CZ2-CG1 4.46Å; W43-E115 HydrophobicContact CH2-CB 4.41Å; W43-E115 HydrophobicContact CZ3-CB 3.86Å; W43-E115 HydrophobicContact CZ3-CG 3.96Å |
| 44 | T | 83.4 | Confident | 81.5 | Confident | 72 Ų | 72 | 42.1 Ų | 42.1 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | trans | -96 | -4.9 | -178.4 | 60.7 | 0 | 0 | 0 | 0 | 113.7 | R28 V30 | R28-T44 PolarHBondContact N-OG1 2.75Å; R28-T44 PolarHBondContact O-N 2.95Å; R28-T44 VanDerWaalsContact O-N 3.12Å; R28-T44 PolarHBondContact O-OG1 3.13Å; V30-T44 HydrophobicContact CG2-CG2 4.13Å | ||
| 45 | G | 72.6 | Confident | 81.5 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | trans | -79.9 | 145.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | W43 | W43-G45 VanDerWaalsContact CD1-O 3.29Å; W43-G45 PolarHBondContact NE1-O 3.06Å | ||
| 46 | A | 68.1 | Low | 81.7 | Confident | 97 Ų | 97 | 43.3 Ų | 43.3 | 80% | 0.802 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -74.5 | 153.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 47 | G | 63.6 | Low | 81.8 | Confident | 81 Ų | 81 | 43 Ų | 43 | 84% | 0.835 | 30% | 0.298 | S | S | * | . | trans | 80.2 | 31.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | G49 | G47-G49 PolarHBondContact O-N 3.2Š| ||
| 48 | L | 64.8 | Low | 81.9 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | trans | -80.2 | 37.6 | -175.5 | -146.2 | 42.8 | 0 | 0 | 0 | 113.6 | W43 C54 L77 L85 L107 C109 V114 | W43-L48 HydrophobicContact CG-CG 4.47Å; W43-L48 HydrophobicContact CZ2-CD1 4.09Å; L48-C54 HydrophobicContact CD2-CB 3.96Å; L48-C54 WeakPolarHBondContact CD2-SG 3.31Å; L48-L77 HydrophobicContact CD2-CD2 3.57Å; L48-L77 HydrophobicContact CG-CD2 4.37Å; L48-L85 HydrophobicContact CB-CD1 3.76Å; L48-L85 HydrophobicContact CG-CD1 4.3Å; L48-L107 HydrophobicContact CD1-CD2 4.45Å; L48-C109 VanDerWaalsContact CD2-SG 3.53Å; L48-V114 HydrophobicContact CD1-CG1 4.42Å | ||
| 49 | G | 62.3 | Low | 81.9 | Confident | 77 Ų | 77 | 42.3 Ų | 42.3 | 79% | 0.794 | 29% | 0.292 | S | S | * | . | trans | 55 | -145.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G47 | G47-G49 PolarHBondContact O-N 3.2Š| ||
| 50 | S | 60.6 | Low | 81.6 | Confident | 65 Ų | 65 | 43 Ų | 43 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | trans | -78.7 | 119 | 153.6 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | E52 | S50-E52 PolarHBondContact O-N 2.99Å; S50-E52 WeakPolarHBondContact OG-CB 3.23Å; S50-E52 VanDerWaalsContact OG-CG 3.29Å; S50-E52 WeakPolarHBondContact OG-CG 3.48Å; S50-E52 PolarHBondContact OG-N 3.22Å; S50-E52 PolarHBondContact OG-OE2 2.84Å | ||
| 51 | A | 63.8 | Low | 81.3 | Confident | 19 Ų | 19 | 44 Ų | 44 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -67.3 | -11 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N53 C54 L77 L85 | A51-N53 PolarHBondContact O-N 3.12Å; A51-C54 WeakPolarHBondContact O-CB 3.3Å; A51-C54 PolarHBondContact O-N 2.94Å; A51-L77 HydrophobicContact CB-CD2 4.4Å; A51-L85 HydrophobicContact CB-CD1 4.39Å; A51-L85 HydrophobicContact CB-CD2 3.61Å |
| 52 | E | 67.3 | Low | 80.7 | Confident | 141 Ų | 141 | 45 Ų | 45 | 66% | 0.659 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -61.4 | -27.2 | -176.9 | -62 | 169.2 | 130 | 0 | 0 | 113.6 | S50 K76 | S50-E52 PolarHBondContact O-N 2.99Å; S50-E52 WeakPolarHBondContact OG-CB 3.23Å; S50-E52 VanDerWaalsContact OG-CG 3.29Å; S50-E52 WeakPolarHBondContact OG-CG 3.48Å; S50-E52 PolarHBondContact OG-N 3.22Å; S50-E52 PolarHBondContact OG-OE2 2.84Å; E52-K76 PolarHBondContact O-NZ 3.32Å |
| 53 | N | 84.4 | Confident | 80 | Confident | 100 Ų | 100 | 52.3 Ų | 52.3 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -98.9 | 13 | 178.2 | -70.2 | -3.3 | 0 | 0 | 0 | 113.4 | A51 N110 | A51-N53 PolarHBondContact O-N 3.12Å; N53-N110 WeakPolarHBondContact CB-OD1 3.49Å; N53-N110 PolarHBondContact ND2-OD1 2.73Å; N53-N110 PolarHBondContact O-N 2.98Å; N53-N110 VanDerWaalsContact O-N 3.14Å |
| 54 | C | 90.3 | Very high | 79.3 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.027 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138.8 | 179 | -64.3 | 0 | 0 | 0 | 0 | 112 | L48 A51 L77 I108 C109 | L48-C54 HydrophobicContact CD2-CB 3.96Å; L48-C54 WeakPolarHBondContact CD2-SG 3.31Å; A51-C54 WeakPolarHBondContact O-CB 3.3Å; A51-C54 PolarHBondContact O-N 2.94Å; C54-L77 HydrophobicContact CB-CB 4Å; C54-L77 HydrophobicContact CB-CD2 4.03Å; C54-L77 PolarHBondContact O-N 2.91Å; C54-I108 CarbonylContact C-O 3.57Å; C54-I108 VanDerWaalsContact CA-O 3.28Å; C54-I108 WeakPolarHBondContact CA-O 3.29Å; C54-C109 HydrophobicContact CB-CB 4.2Å; C54-C109 WeakPolarHBondContact CB-SG 3.21Å; C54-C109 WeakPolarHBondContact SG-CB 3.41Å; C54-C109 CovalentContact SG-SG 2.04Å; C54-C109 PolarHBondContact SG-SG 3.02Å |
| 55 | S | 93.6 | Very high | 79.1 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149 | 175.4 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | C75 I108 | S55-C75 CarbonylContact C-O 3.28Å; S55-C75 WeakPolarHBondContact CA-O 3.42Å; S55-C75 VanDerWaalsContact CB-O 3.31Å; S55-C75 WeakPolarHBondContact CB-O 3.38Å; S55-I108 PolarHBondContact N-O 2.83Å; S55-I108 PolarHBondContact O-N 2.04Å |
| 56 | I | 95 | Very high | 79.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.6 | 167 | -60.7 | 168.8 | 0 | 0 | 0 | 106.9 | L29 C41 S74 C75 L77 F89 I105 Y106 L107 | L29-I56 HydrophobicContact CD1-CD1 3.75Å; L29-I56 HydrophobicContact CD1-CG1 4.31Å; C41-I56 HydrophobicContact CB-CD1 3.65Å; C41-I56 HydrophobicContact CB-CG2 4.14Å; I56-S74 CarbonylContact O-C 3.45Å; I56-S74 VanDerWaalsContact O-CA 3.23Å; I56-S74 WeakPolarHBondContact O-CA 3.45Å; I56-C75 PolarHBondContact N-O 3.14Å; I56-C75 PolarHBondContact O-N 3.17Å; I56-L77 HydrophobicContact CD1-CD1 3.52Å; I56-L77 HydrophobicContact CG1-CD1 4.09Å; I56-F89 HydrophobicContact CG2-CD1 4.46Å; I56-F89 HydrophobicContact CG2-CE1 3.89Å; I56-I105 HydrophobicContact CG2-CG2 3.61Å; I56-Y106 WeakPolarHBondContact CA-O 3.48Å; I56-L107 HydrophobicContact CG1-CD1 3.74Å |
| 57 | S | 95.2 | Very high | 80 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.8 | 179.6 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | K73 S74 I105 Y106 | S57-K73 CarbonylContact C-O 3.55Å; S57-K73 WeakPolarHBondContact CA-O 3.5Å; S57-S74 VanDerWaalsContact OG-CB 3.23Å; S57-S74 WeakPolarHBondContact OG-CB 3.32Å; S57-I105 CarbonylContact O-C 3.49Å; S57-I105 WeakPolarHBondContact O-CA 3.46Å; S57-Y106 PolarHBondContact N-O 3.33Å; S57-Y106 WeakPolarHBondContact O-CD2 3.32Å; S57-Y106 PolarHBondContact O-N 2.79Å |
| 58 | G | 94.9 | Very high | 81 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M72 K73 | G58-M72 WeakPolarHBondContact O-CA 3.31Å; G58-K73 PolarHBondContact N-O 2.96Å; G58-K73 PolarHBondContact O-N 2.93Å |
| 59 | K | 93.2 | Very high | 82 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 24% | 0.239 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.6 | 169 | -68.8 | 176.7 | -168.6 | 164.7 | 0 | 109.8 | L70 M72 M102 G104 Y106 | K59-L70 HydrophobicContact CB-CD1 4.18Å; K59-L70 HydrophobicContact CD-CD2 4.48Å; K59-M72 HydrophobicContact CG-CE 4.23Å; K59-M72 HydrophobicContact CG-CG 4.14Å; K59-M102 WeakPolarHBondContact O-CB 3.47Å; K59-M102 WeakPolarHBondContact O-CE 3.35Å; K59-G104 PolarHBondContact N-O 2.86Å; K59-Y106 HydrophobicContact CB-CE2 4.43Å; K59-Y106 HydrophobicContact CD-CE2 3.66Å; K59-Y106 HydrophobicContact CG-CE2 3.87Å; K59-Y106 PolarHBondContact NZ-OH 2.82Å; K59-Y106 VanDerWaalsContact NZ-OH 3.14Å |
| 60 | K | 90 | Very high | 83.3 | Confident | 15 Ų | 15 | 67.6 Ų | 67.6 | 7% | 0.065 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.7 | 167.1 | 172.2 | 169.2 | 163.1 | 166.3 | 0 | 109.4 | F62 E71 F91 K95 F96 D100 M102 | K60-F62 VanDerWaalsContact C-CE2 3.41Å; K60-F62 HydrophobicContact CB-CD2 4.43Å; K60-F62 HydrophobicContact CB-CE2 3.47Å; K60-F62 VanDerWaalsContact CB-CE2 3.47Å; K60-F62 HydrophobicContact CB-CZ 3.55Å; K60-F62 HydrophobicContact CD-CE1 3.77Å; K60-F62 HydrophobicContact CD-CE2 4.26Å; K60-F62 HydrophobicContact CD-CZ 3.56Å; K60-F62 HydrophobicContact CG-CD2 4.23Å; K60-F62 HydrophobicContact CG-CE1 3.91Å; K60-F62 HydrophobicContact CG-CE2 3.55Å; K60-F62 HydrophobicContact CG-CZ 3.39Å; K60-F62 WeakPolarHBondContact O-CD2 3.05Å; K60-F62 WeakPolarHBondContact O-CE2 3.11Å; K60-E71 PolarHBondContact N-O 3.47Å; K60-E71 PolarHBondContact O-N 3.33Å; K60-F91 HydrophobicContact CB-CD1 4.38Å; K60-F91 HydrophobicContact CB-CE1 3.89Å; K60-F91 HydrophobicContact CB-CE2 4.35Å; K60-F91 HydrophobicContact CB-CZ 3.87Å; K60-K95 PolarHBondContact NZ-O 2.95Å; K60-K95 VanDerWaalsContact NZ-O 3.16Å; K60-F96 HydrophobicContact CD-CD1 4.19Å; K60-F96 HydrophobicContact CD-CE1 3.8Å; K60-D100 WeakPolarHBondContact CE-OD2 3.41Å; K60-D100 IonicContact NZ-OD2 2.66Å; K60-D100 PolarHBondContact NZ-OD2 2.86Å; K60-M102 HydrophobicContact CB-CG 4.21Å |
| 61 | L | 87.7 | Confident | 84.7 | Confident | 59 Ų | 59 | 67.5 Ų | 67.5 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.7 | 174.2 | -68.4 | 160.4 | 0 | 0 | 0 | 109.5 | E68 T69 L70 P103 | L61-E68 HydrophobicContact CB-CG 4.14Å; L61-E68 WeakPolarHBondContact CB-OE1 3.44Å; L61-E68 HydrophobicContact CD2-CG 3.95Å; L61-T69 CarbonylContact C-O 3.6Å; L61-T69 WeakPolarHBondContact CA-O 3.02Å; L61-L70 HydrophobicContact CD2-CB 4.2Å; L61-L70 HydrophobicContact CD2-CD1 3.58Å; L61-L70 HydrophobicContact CG-CD1 4.05Å; L61-P103 HydrophobicContact CD1-CG 3.67Å; L61-P103 HydrophobicContact CG-CG 3.92Å |
| 62 | F | 82.4 | Confident | 86.1 | Confident | 25 Ų | 25 | 71.7 Ų | 71.7 | 11% | 0.11 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 115.7 | -167.9 | -65.3 | -86.9 | 0 | 0 | 0 | 111 | K60 S64 T69 E71 F91 T94 | K60-F62 VanDerWaalsContact C-CE2 3.41Å; K60-F62 HydrophobicContact CB-CD2 4.43Å; K60-F62 HydrophobicContact CB-CE2 3.47Å; K60-F62 VanDerWaalsContact CB-CE2 3.47Å; K60-F62 HydrophobicContact CB-CZ 3.55Å; K60-F62 HydrophobicContact CD-CE1 3.77Å; K60-F62 HydrophobicContact CD-CE2 4.26Å; K60-F62 HydrophobicContact CD-CZ 3.56Å; K60-F62 HydrophobicContact CG-CD2 4.23Å; K60-F62 HydrophobicContact CG-CE1 3.91Å; K60-F62 HydrophobicContact CG-CE2 3.55Å; K60-F62 HydrophobicContact CG-CZ 3.39Å; K60-F62 WeakPolarHBondContact O-CD2 3.05Å; K60-F62 WeakPolarHBondContact O-CE2 3.11Å; F62-S64 PolarHBondContact O-N 2.89Å; F62-T69 WeakPolarHBondContact CB-O 3.14Å; F62-T69 WeakPolarHBondContact CB-OG1 3.38Å; F62-T69 PolarHBondContact N-O 2.88Å; F62-T69 PolarHBondContact O-N 3.38Å; F62-T69 PolarHBondContact O-OG1 2.9Å; F62-E71 HydrophobicContact CD2-CB 3.65Å; F62-E71 HydrophobicContact CE2-CB 3.24Å; F62-E71 HydrophobicContact CZ-CB 4.05Å; F62-F91 HydrophobicContact CE2-CD1 4.17Å; F62-F91 HydrophobicContact CE2-CE1 4.36Å; F62-F91 HydrophobicContact CZ-CB 4.23Å; F62-F91 AromaticContact CZ-CD1 3.54Å; F62-F91 HydrophobicContact CZ-CD1 3.54Å; F62-F91 HydrophobicContact CZ-CE1 4.11Å; F62-F91 HydrophobicContact CZ-CG 4.06Å; F62-T94 HydrophobicContact CD1-CG2 3.48Å; F62-T94 VanDerWaalsContact CD1-CG2 3.48Å; F62-T94 HydrophobicContact CE1-CG2 3.38Å |
| 63 | W | 77.3 | Confident | 87.4 | Confident | 190 Ų | 190 | 67 Ų | 67 | 72% | 0.72 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.6 | 175 | -62.4 | 91 | 0 | 0 | 0 | 109.5 | E67 E68 | W63-E67 WeakPolarHBondContact CA-O 3.07Å; W63-E68 HydrophobicContact CD2-CB 4.37Å; W63-E68 HydrophobicContact CD2-CG 4.43Å; W63-E68 HydrophobicContact CE3-CB 4.11Å; W63-E68 HydrophobicContact CH2-CB 3.86Å; W63-E68 HydrophobicContact CH2-CG 4.22Å; W63-E68 HydrophobicContact CZ2-CB 4.11Å; W63-E68 VanDerWaalsContact CZ2-CD 3.46Å; W63-E68 HydrophobicContact CZ2-CG 3.95Å; W63-E68 WeakPolarHBondContact CZ2-OE1 3.37Å; W63-E68 HydrophobicContact CZ3-CB 3.86Å |
| 64 | S | 75.1 | Confident | 87.9 | Confident | 62 Ų | 62 | 66 Ų | 66 | 43% | 0.434 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 124.1 | -179.9 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | F62 G66 E67 | F62-S64 PolarHBondContact O-N 2.89Å; S64-G66 PolarHBondContact O-N 3.44Å; S64-E67 PolarHBondContact N-O 2.89Å; S64-E67 PolarHBondContact O-N 2.94Å |
| 65 | N | 78.1 | Confident | 88.1 | Confident | 176 Ų | 176 | 66.6 Ų | 66.6 | 94% | 0.941 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 20.6 | -179.5 | -56.4 | -23.3 | 0 | 0 | 0 | 115.7 | ||
| 66 | G | 76.9 | Confident | 88.1 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 75% | 0.753 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -5.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | S64 | S64-G66 PolarHBondContact O-N 3.44Š|
| 67 | E | 83.4 | Confident | 87.8 | Confident | 138 Ų | 138 | 71.8 Ų | 71.8 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 144.5 | 174.7 | -171.1 | 172.9 | -174 | 0 | 0 | 110.9 | W63 S64 T69 | W63-E67 WeakPolarHBondContact CA-O 3.07Å; S64-E67 PolarHBondContact N-O 2.89Å; S64-E67 PolarHBondContact O-N 2.94Å; E67-T69 HydrophobicContact CG-CG2 4.38Å |
| 68 | E | 83.9 | Confident | 87.5 | Confident | 91 Ų | 91 | 78.4 Ų | 78.4 | 43% | 0.425 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.5 | 173 | -169.9 | 176.3 | -137.1 | 0 | 0 | 110.1 | L61 W63 | L61-E68 HydrophobicContact CB-CG 4.14Å; L61-E68 WeakPolarHBondContact CB-OE1 3.44Å; L61-E68 HydrophobicContact CD2-CG 3.95Å; W63-E68 HydrophobicContact CD2-CB 4.37Å; W63-E68 HydrophobicContact CD2-CG 4.43Å; W63-E68 HydrophobicContact CE3-CB 4.11Å; W63-E68 HydrophobicContact CH2-CB 3.86Å; W63-E68 HydrophobicContact CH2-CG 4.22Å; W63-E68 HydrophobicContact CZ2-CB 4.11Å; W63-E68 VanDerWaalsContact CZ2-CD 3.46Å; W63-E68 HydrophobicContact CZ2-CG 3.95Å; W63-E68 WeakPolarHBondContact CZ2-OE1 3.37Å; W63-E68 HydrophobicContact CZ3-CB 3.86Å |
| 69 | T | 86.4 | Confident | 86.8 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 37% | 0.368 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.7 | -178.1 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | L61 F62 E67 | L61-T69 CarbonylContact C-O 3.6Å; L61-T69 WeakPolarHBondContact CA-O 3.02Å; F62-T69 WeakPolarHBondContact CB-O 3.14Å; F62-T69 WeakPolarHBondContact CB-OG1 3.38Å; F62-T69 PolarHBondContact N-O 2.88Å; F62-T69 PolarHBondContact O-N 3.38Å; F62-T69 PolarHBondContact O-OG1 2.9Å; E67-T69 HydrophobicContact CG-CG2 4.38Å |
| 70 | L | 89.3 | Confident | 85.6 | Confident | 104 Ų | 104 | 89.5 Ų | 89.5 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 105.5 | -178.4 | -177 | 77.1 | 0 | 0 | 0 | 110.3 | K59 L61 | K59-L70 HydrophobicContact CB-CD1 4.18Å; K59-L70 HydrophobicContact CD-CD2 4.48Å; L61-L70 HydrophobicContact CD2-CB 4.2Å; L61-L70 HydrophobicContact CD2-CD1 3.58Å; L61-L70 HydrophobicContact CG-CD1 4.05Å |
| 71 | E | 90.7 | Very high | 84.6 | Confident | 62 Ų | 62 | 91.3 Ų | 91.3 | 29% | 0.29 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 140.8 | 171 | -149.7 | -169.3 | -161.3 | 0 | 0 | 110.5 | K60 F62 K73 F91 | K60-E71 PolarHBondContact N-O 3.47Å; K60-E71 PolarHBondContact O-N 3.33Å; F62-E71 HydrophobicContact CD2-CB 3.65Å; F62-E71 HydrophobicContact CE2-CB 3.24Å; F62-E71 HydrophobicContact CZ-CB 4.05Å; E71-K73 VanDerWaalsContact CD-CE 3.44Å; E71-K73 WeakPolarHBondContact OE1-CE 3.08Å; E71-K73 IonicContact OE1-NZ 2.68Å; E71-K73 PolarHBondContact OE1-NZ 2.99Å; E71-K73 WeakPolarHBondContact OE2-CE 3.03Å; E71-K73 IonicContact OE2-NZ 3.64Å; E71-F91 WeakPolarHBondContact OE2-CD1 3.45Å |
| 72 | M | 92.8 | Very high | 83.3 | Confident | 108 Ų | 108 | 97 Ų | 97 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.2 | 169.5 | -164.9 | -173.4 | -45.5 | 0 | 0 | 109.6 | G58 K59 | G58-M72 WeakPolarHBondContact O-CA 3.31Å; K59-M72 HydrophobicContact CG-CE 4.23Å; K59-M72 HydrophobicContact CG-CG 4.14Å |
| 73 | K | 95.2 | Very high | 82.6 | Confident | 43 Ų | 43 | 98.8 Ų | 98.8 | 19% | 0.187 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 149.3 | 170.7 | -62.2 | -65.3 | -155.3 | -162.2 | 0 | 108.8 | S57 G58 E71 F89 V90 F91 E92 | S57-K73 CarbonylContact C-O 3.55Å; S57-K73 WeakPolarHBondContact CA-O 3.5Å; G58-K73 PolarHBondContact N-O 2.96Å; G58-K73 PolarHBondContact O-N 2.93Å; E71-K73 VanDerWaalsContact CD-CE 3.44Å; E71-K73 WeakPolarHBondContact OE1-CE 3.08Å; E71-K73 IonicContact OE1-NZ 2.68Å; E71-K73 PolarHBondContact OE1-NZ 2.99Å; E71-K73 WeakPolarHBondContact OE2-CE 3.03Å; E71-K73 IonicContact OE2-NZ 3.64Å; K73-F89 HydrophobicContact CB-CB 4.22Å; K73-F89 HydrophobicContact CB-CD2 3.96Å; K73-F89 HydrophobicContact CB-CG 4.47Å; K73-V90 WeakPolarHBondContact CE-O 3.39Å; K73-V90 WeakPolarHBondContact CG-O 3.41Å; K73-F91 HydrophobicContact CB-CD1 4.22Å; K73-F91 HydrophobicContact CB-CE1 3.92Å; K73-F91 HydrophobicContact CB-CZ 4.28Å; K73-F91 HydrophobicContact CG-CD1 3.38Å; K73-F91 HydrophobicContact CG-CE1 3.51Å; K73-F91 HydrophobicContact CG-CG 4.09Å; K73-F91 HydrophobicContact CG-CZ 4.3Å; K73-E92 IonicContact NZ-OE2 3.9Å |
| 74 | S | 94.4 | Very high | 82.5 | Confident | 79 Ų | 79 | 92.9 Ų | 92.9 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 157.6 | 179.9 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | I56 S57 | I56-S74 CarbonylContact O-C 3.45Å; I56-S74 VanDerWaalsContact O-CA 3.23Å; I56-S74 WeakPolarHBondContact O-CA 3.45Å; S57-S74 VanDerWaalsContact OG-CB 3.23Å; S57-S74 WeakPolarHBondContact OG-CB 3.32Å |
| 75 | C | 94.6 | Very high | 83.1 | Confident | 15 Ų | 15 | 91.4 Ų | 91.4 | 10% | 0.101 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.1 | 173.9 | 59.6 | 0 | 0 | 0 | 0 | 110.5 | S55 I56 C87 S88 F89 | S55-C75 CarbonylContact C-O 3.28Å; S55-C75 WeakPolarHBondContact CA-O 3.42Å; S55-C75 VanDerWaalsContact CB-O 3.31Å; S55-C75 WeakPolarHBondContact CB-O 3.38Å; I56-C75 PolarHBondContact N-O 3.14Å; I56-C75 PolarHBondContact O-N 3.17Å; C75-C87 HydrophobicContact CB-CB 3.62Å; C75-C87 WeakPolarHBondContact CB-SG 3.43Å; C75-C87 PolarHBondContact O-SG 2.83Å; C75-C87 WeakPolarHBondContact SG-CB 3.23Å; C75-C87 CovalentContact SG-SG 2.04Å; C75-C87 PolarHBondContact SG-SG 2.9Å; C75-S88 VanDerWaalsContact CB-O 3.23Å; C75-S88 WeakPolarHBondContact CB-O 3.23Å; C75-S88 PolarHBondContact SG-N 3.33Å; C75-F89 HydrophobicContact CB-CB 4.31Å |
| 76 | K | 92.6 | Very high | 83.7 | Confident | 137 Ų | 137 | 83.8 Ų | 83.8 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 134 | 169 | -74.4 | -160 | 170.2 | -153 | 0 | 110 | E52 C87 | E52-K76 PolarHBondContact O-NZ 3.32Å; K76-C87 VanDerWaalsContact O-CB 3.23Å; K76-C87 WeakPolarHBondContact O-CB 3.35Å |
| 77 | L | 90.4 | Very high | 84.4 | Confident | 5 Ų | 5 | 81.1 Ų | 81.1 | 3% | 0.026 | 43% | 0.434 | C | S | . | . | trans | -66.5 | 135.1 | 179 | -161.7 | 72.2 | 0 | 0 | 0 | 110.1 | L48 A51 C54 I56 L85 L107 | L48-L77 HydrophobicContact CD2-CD2 3.57Å; L48-L77 HydrophobicContact CG-CD2 4.37Å; A51-L77 HydrophobicContact CB-CD2 4.4Å; C54-L77 HydrophobicContact CB-CB 4Å; C54-L77 HydrophobicContact CB-CD2 4.03Å; C54-L77 PolarHBondContact O-N 2.91Å; I56-L77 HydrophobicContact CD1-CD1 3.52Å; I56-L77 HydrophobicContact CG1-CD1 4.09Å; L77-L85 HydrophobicContact CD1-CB 4.4Å; L77-L85 HydrophobicContact CD2-CB 3.93Å; L77-L85 HydrophobicContact CD2-CD1 4.28Å; L77-L85 HydrophobicContact CD2-CD2 4.37Å; L77-L85 HydrophobicContact CD2-CG 4.44Å; L77-L85 HydrophobicContact CG-CB 4.06Å; L77-L85 HydrophobicContact CG-CD2 4.4Å; L77-L107 HydrophobicContact CD2-CD1 4.38Å | ||
| 78 | K | 87 | Confident | 85 | Confident | 150 Ų | 150 | 77.6 Ų | 77.6 | 65% | 0.652 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.7 | 179.6 | -65.8 | -179.5 | -177.3 | 179.3 | 0 | 110.4 | G86 | K78-G86 PolarHBondContact N-O 3.35Å; K78-G86 PolarHBondContact O-N 2.96Å; K78-G86 VanDerWaalsContact O-O 3.05Å |
| 79 | Q | 80.9 | Confident | 85.5 | Confident | 134 Ų | 134 | 73.6 Ų | 73.6 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.4 | 170.1 | -167.6 | 174.6 | -7.8 | 0 | 0 | 109.2 | G81 L85 | Q79-G81 WeakPolarHBondContact CG-O 3.34Å; Q79-G81 PolarHBondContact NE2-O 3.47Å; Q79-L85 HydrophobicContact CB-CD2 3.77Å; Q79-L85 HydrophobicContact CG-CD2 4.44Å |
| 80 | H | 68.4 | Low | 85.9 | Confident | 153 Ų | 153 | 73.3 Ų | 73.3 | 71% | 0.708 | 40% | 0.403 | S | S | * | . | trans | -103.1 | 79.6 | 179.9 | -162.7 | 73.7 | 0 | 0 | 0 | 111 | N82 S83 | H80-N82 PolarHBondContact O-N 3.08Å; H80-S83 WeakPolarHBondContact O-CB 3.23Å; H80-S83 PolarHBondContact O-N 3.34Å; H80-S83 VanDerWaalsContact O-N 3.12Å; H80-S83 PolarHBondContact O-OG 3.31Å | ||
| 81 | G | 67.8 | Low | 86 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -129 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q79 S83 | Q79-G81 WeakPolarHBondContact CG-O 3.34Å; Q79-G81 PolarHBondContact NE2-O 3.47Å; G81-S83 PolarHBondContact O-N 2.97Å |
| 82 | N | 62.4 | Low | 85.6 | Confident | 178 Ų | 178 | 71.9 Ų | 71.9 | 95% | 0.952 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 5.5 | 177.5 | -66.5 | 7.1 | 0 | 0 | 0 | 113.8 | H80 | H80-N82 PolarHBondContact O-N 3.08Š|
| 83 | S | 67.4 | Low | 84.7 | Confident | 63 Ų | 63 | 74 Ų | 74 | 44% | 0.441 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -77.6 | 164.4 | 179 | -45.5 | 0 | 0 | 0 | 0 | 112.2 | H80 G81 | H80-S83 WeakPolarHBondContact O-CB 3.23Å; H80-S83 PolarHBondContact O-N 3.34Å; H80-S83 VanDerWaalsContact O-N 3.12Å; H80-S83 PolarHBondContact O-OG 3.31Å; G81-S83 PolarHBondContact O-N 2.97Å |
| 84 | S | 75.2 | Confident | 83.7 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 47% | 0.469 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 153.2 | 166.9 | 42.8 | 0 | 0 | 0 | 0 | 112 | ||
| 85 | L | 87.4 | Confident | 83.1 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 134.3 | 169.1 | -77.4 | 166 | 0 | 0 | 0 | 109.6 | S42 W43 L48 A51 L77 Q79 | S42-L85 CarbonylContact C-O 3.55Å; S42-L85 WeakPolarHBondContact CA-O 3.39Å; W43-L85 HydrophobicContact CB-CB 4.31Å; W43-L85 PolarHBondContact N-O 3.5Å; L48-L85 HydrophobicContact CB-CD1 3.76Å; L48-L85 HydrophobicContact CG-CD1 4.3Å; A51-L85 HydrophobicContact CB-CD1 4.39Å; A51-L85 HydrophobicContact CB-CD2 3.61Å; L77-L85 HydrophobicContact CD1-CB 4.4Å; L77-L85 HydrophobicContact CD2-CB 3.93Å; L77-L85 HydrophobicContact CD2-CD1 4.28Å; L77-L85 HydrophobicContact CD2-CD2 4.37Å; L77-L85 HydrophobicContact CD2-CG 4.44Å; L77-L85 HydrophobicContact CG-CB 4.06Å; L77-L85 HydrophobicContact CG-CD2 4.4Å; Q79-L85 HydrophobicContact CB-CD2 3.77Å; Q79-L85 HydrophobicContact CG-CD2 4.44Å |
| 86 | G | 90.3 | Very high | 82.8 | Confident | 16 Ų | 16 | 74.5 Ų | 74.5 | 17% | 0.165 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 170.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C41 K78 | C41-G86 CarbonylContact O-C 3.52Å; C41-G86 WeakPolarHBondContact O-CA 3.42Å; K78-G86 PolarHBondContact N-O 3.35Å; K78-G86 PolarHBondContact O-N 2.96Å; K78-G86 VanDerWaalsContact O-O 3.05Å |
| 87 | C | 92.6 | Very high | 82.5 | Confident | 18 Ų | 18 | 69 Ų | 69 | 12% | 0.122 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 169.9 | 167.2 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | C41 C75 K76 | C41-C87 PolarHBondContact N-O 3.44Å; C41-C87 PolarHBondContact O-N 3.11Å; C75-C87 HydrophobicContact CB-CB 3.62Å; C75-C87 WeakPolarHBondContact CB-SG 3.43Å; C75-C87 PolarHBondContact O-SG 2.83Å; C75-C87 WeakPolarHBondContact SG-CB 3.23Å; C75-C87 CovalentContact SG-SG 2.04Å; C75-C87 PolarHBondContact SG-SG 2.9Å; K76-C87 VanDerWaalsContact O-CB 3.23Å; K76-C87 WeakPolarHBondContact O-CB 3.35Å |
| 88 | S | 94.8 | Very high | 82.1 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 44% | 0.441 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147 | 179.7 | -50.5 | 0 | 0 | 0 | 0 | 110.9 | N38 V39 S40 C75 | N38-S88 WeakPolarHBondContact OD1-CB 3.33Å; V39-S88 CarbonylContact O-C 3.59Å; V39-S88 WeakPolarHBondContact O-CA 3.36Å; S40-S88 WeakPolarHBondContact CB-OG 3.36Å; S40-S88 PolarHBondContact OG-OG 2.75Å; C75-S88 VanDerWaalsContact CB-O 3.23Å; C75-S88 WeakPolarHBondContact CB-O 3.23Å; C75-S88 PolarHBondContact SG-N 3.33Å |
| 89 | F | 94.9 | Very high | 82 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.9 | 176.8 | 58.6 | -91.8 | 0 | 0 | 0 | 110.9 | V39 I56 K73 C75 F91 M102 I105 | V39-F89 HydrophobicContact CB-CD2 4.23Å; V39-F89 HydrophobicContact CB-CE1 4.09Å; V39-F89 HydrophobicContact CB-CE2 3.71Å; V39-F89 HydrophobicContact CB-CZ 3.63Å; V39-F89 HydrophobicContact CG1-CE1 4.1Å; V39-F89 HydrophobicContact CG1-CE2 4.27Å; V39-F89 HydrophobicContact CG1-CZ 3.71Å; V39-F89 HydrophobicContact CG2-CE2 3.94Å; V39-F89 HydrophobicContact CG2-CZ 4.21Å; V39-F89 PolarHBondContact N-O 3.31Å; V39-F89 PolarHBondContact O-N 3.02Å; I56-F89 HydrophobicContact CG2-CD1 4.46Å; I56-F89 HydrophobicContact CG2-CE1 3.89Å; K73-F89 HydrophobicContact CB-CB 4.22Å; K73-F89 HydrophobicContact CB-CD2 3.96Å; K73-F89 HydrophobicContact CB-CG 4.47Å; C75-F89 HydrophobicContact CB-CB 4.31Å; F89-F91 AromaticContact CD2-CE2 3.95Å; F89-F91 HydrophobicContact CD2-CE2 3.95Å; F89-F91 HydrophobicContact CD2-CZ 4.2Å; F89-F91 AromaticContact CE2-CE2 3.66Å; F89-F91 HydrophobicContact CE2-CE2 3.66Å; F89-F91 AromaticContact CE2-CZ 3.92Å; F89-F91 HydrophobicContact CE2-CZ 3.92Å; F89-M102 HydrophobicContact CE2-CE 4.23Å; F89-I105 HydrophobicContact CE1-CG2 4.2Å; F89-I105 HydrophobicContact CZ-CD1 4.34Å; F89-I105 HydrophobicContact CZ-CG1 4.33Å; F89-I105 HydrophobicContact CZ-CG2 4.08Å |
| 90 | V | 94.3 | Very high | 82.4 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131.1 | -165.8 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | N37 N38 K73 E92 | N37-V90 HydrophobicContact CB-CG1 4.15Å; N37-V90 VanDerWaalsContact CG-CG1 3.48Å; N37-V90 WeakPolarHBondContact O-CA 3.44Å; N38-V90 HydrophobicContact CB-CG2 4.17Å; K73-V90 WeakPolarHBondContact CE-O 3.39Å; K73-V90 WeakPolarHBondContact CG-O 3.41Å; V90-E92 HydrophobicContact CG1-CG 4.11Å; V90-E92 PolarHBondContact O-N 3.01Å |
| 91 | F | 91.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -96.7 | 70.8 | 173.6 | -62.4 | -81.7 | 0 | 0 | 0 | 110.4 | N37 V39 K60 F62 E71 K73 F89 N93 T94 F96 M102 | N37-F91 PolarHBondContact O-N 2.98Å; V39-F91 HydrophobicContact CG2-CE2 4.36Å; K60-F91 HydrophobicContact CB-CD1 4.38Å; K60-F91 HydrophobicContact CB-CE1 3.89Å; K60-F91 HydrophobicContact CB-CE2 4.35Å; K60-F91 HydrophobicContact CB-CZ 3.87Å; F62-F91 HydrophobicContact CE2-CD1 4.17Å; F62-F91 HydrophobicContact CE2-CE1 4.36Å; F62-F91 HydrophobicContact CZ-CB 4.23Å; F62-F91 AromaticContact CZ-CD1 3.54Å; F62-F91 HydrophobicContact CZ-CD1 3.54Å; F62-F91 HydrophobicContact CZ-CE1 4.11Å; F62-F91 HydrophobicContact CZ-CG 4.06Å; E71-F91 WeakPolarHBondContact OE2-CD1 3.45Å; K73-F91 HydrophobicContact CB-CD1 4.22Å; K73-F91 HydrophobicContact CB-CE1 3.92Å; K73-F91 HydrophobicContact CB-CZ 4.28Å; K73-F91 HydrophobicContact CG-CD1 3.38Å; K73-F91 HydrophobicContact CG-CE1 3.51Å; K73-F91 HydrophobicContact CG-CG 4.09Å; K73-F91 HydrophobicContact CG-CZ 4.3Å; F89-F91 AromaticContact CD2-CE2 3.95Å; F89-F91 HydrophobicContact CD2-CE2 3.95Å; F89-F91 HydrophobicContact CD2-CZ 4.2Å; F89-F91 AromaticContact CE2-CE2 3.66Å; F89-F91 HydrophobicContact CE2-CE2 3.66Å; F89-F91 AromaticContact CE2-CZ 3.92Å; F89-F91 HydrophobicContact CE2-CZ 3.92Å; F91-N93 VanDerWaalsContact C-N 3.27Å; F91-N93 PolarHBondContact O-N 3.41Å; F91-T94 PolarHBondContact O-N 3.24Å; F91-T94 PolarHBondContact O-OG1 3.41Å; F91-F96 HydrophobicContact CD2-CE1 4.25Å; F91-F96 HydrophobicContact CD2-CE2 4.5Å; F91-F96 AromaticContact CD2-CZ 3.65Å; F91-F96 HydrophobicContact CD2-CZ 3.65Å; F91-F96 HydrophobicContact CE2-CE1 4.45Å; F91-F96 AromaticContact CE2-CZ 3.96Å; F91-F96 HydrophobicContact CE2-CZ 3.96Å; F91-M102 HydrophobicContact CE2-CE 3.7Å; F91-M102 HydrophobicContact CE2-SD 4.35Å; F91-M102 HydrophobicContact CZ-CE 3.76Å | ||
| 92 | E | 82.6 | Confident | 84.7 | Confident | 136 Ų | 136 | 61.5 Ų | 61.5 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.2 | -45.8 | -165 | -64.1 | 166.3 | 140.1 | 0 | 0 | 115.1 | K73 V90 T94 | K73-E92 IonicContact NZ-OE2 3.9Å; V90-E92 HydrophobicContact CG1-CG 4.11Å; V90-E92 PolarHBondContact O-N 3.01Å; E92-T94 VanDerWaalsContact C-N 3.3Å; E92-T94 PolarHBondContact O-N 3.21Å |
| 93 | N | 74.1 | Confident | 86.2 | Confident | 152 Ų | 152 | 54.8 Ų | 54.8 | 81% | 0.813 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 6.1 | -173.1 | -67.3 | -33.1 | 0 | 0 | 0 | 115.2 | F91 | F91-N93 VanDerWaalsContact C-N 3.27Å; F91-N93 PolarHBondContact O-N 3.41Å |
| 94 | T | 72.8 | Confident | 87.4 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 28% | 0.282 | C | S | . | . | trans | -137.8 | 166.9 | -175.4 | 61.3 | 0 | 0 | 0 | 0 | 115.4 | N37 F62 F91 E92 | N37-T94 WeakPolarHBondContact CB-O 3.3Å; F62-T94 HydrophobicContact CD1-CG2 3.48Å; F62-T94 VanDerWaalsContact CD1-CG2 3.48Å; F62-T94 HydrophobicContact CE1-CG2 3.38Å; F91-T94 PolarHBondContact O-N 3.24Å; F91-T94 PolarHBondContact O-OG1 3.41Å; E92-T94 VanDerWaalsContact C-N 3.3Å; E92-T94 PolarHBondContact O-N 3.21Å | ||
| 95 | K | 82.8 | Confident | 88.4 | Confident | 109 Ų | 109 | 48.6 Ų | 48.6 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | trans | -107.6 | 151.7 | 161.2 | -62.2 | -178.3 | -175.7 | 179.1 | 0 | 109.9 | V36 K60 M155 Y156 | V36-K95 CarbonylContact O-C 3.55Å; V36-K95 WeakPolarHBondContact O-CA 3.47Å; K60-K95 PolarHBondContact NZ-O 2.95Å; K60-K95 VanDerWaalsContact NZ-O 3.16Å; K95-M155 HydrophobicContact CD-CE 4.28Å; K95-M155 HydrophobicContact CD-SD 4.07Å; K95-Y156 HydrophobicContact CB-CE2 4.35Å | ||
| 96 | F | 89 | Confident | 88.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -81.8 | 129 | 165.5 | -70.1 | -66.3 | 0 | 0 | 0 | 109.9 | N33 L35 V36 V39 K60 F91 D100 M102 P122 Y156 | N33-F96 HydrophobicContact CB-CE2 4.42Å; L35-F96 HydrophobicContact CD1-CB 4.06Å; L35-F96 HydrophobicContact CG-CB 4.42Å; V36-F96 VanDerWaalsContact O-CD2 3.32Å; V36-F96 WeakPolarHBondContact O-CD2 3.47Å; V36-F96 PolarHBondContact O-N 3.33Å; V39-F96 HydrophobicContact CG2-CE2 3.78Å; V39-F96 HydrophobicContact CG2-CZ 3.47Å; V39-F96 VanDerWaalsContact CG2-CZ 3.47Å; K60-F96 HydrophobicContact CD-CD1 4.19Å; K60-F96 HydrophobicContact CD-CE1 3.8Å; F91-F96 HydrophobicContact CD2-CE1 4.25Å; F91-F96 HydrophobicContact CD2-CE2 4.5Å; F91-F96 AromaticContact CD2-CZ 3.65Å; F91-F96 HydrophobicContact CD2-CZ 3.65Å; F91-F96 HydrophobicContact CE2-CE1 4.45Å; F91-F96 AromaticContact CE2-CZ 3.96Å; F91-F96 HydrophobicContact CE2-CZ 3.96Å; F96-D100 WeakPolarHBondContact CA-OD2 3.47Å; F96-M102 HydrophobicContact CE1-CG 4.43Å; F96-M102 HydrophobicContact CE1-SD 3.79Å; F96-M102 HydrophobicContact CZ-SD 4.13Å; F96-P122 HydrophobicContact CB-CB 4.01Å; F96-P122 HydrophobicContact CB-CG 4.43Å; F96-P122 HydrophobicContact CD1-CB 3.9Å; F96-P122 HydrophobicContact CD1-CG 3.49Å; F96-P122 VanDerWaalsContact CD1-CG 3.49Å; F96-P122 HydrophobicContact CE1-CG 3.87Å; F96-P122 HydrophobicContact CG-CB 3.96Å; F96-P122 HydrophobicContact CG-CG 4.09Å; F96-Y156 WeakPolarHBondContact O-CD2 3.45Å; F96-Y156 VanDerWaalsContact O-CE2 3.25Å; F96-Y156 WeakPolarHBondContact O-CE2 3.32Å | ||
| 97 | S | 85.1 | Confident | 88.9 | Confident | 21 Ų | 21 | 48 Ų | 48 | 15% | 0.147 | 25% | 0.25 | C | S | . | . | trans | -87.9 | 164.4 | 165.8 | 90.6 | 0 | 0 | 0 | 0 | 111.1 | Y99 D100 | S97-Y99 PolarHBondContact O-N 2.94Å; S97-Y99 PolarHBondContact OG-N 3.05Å; S97-Y99 VanDerWaalsContact OG-N 3.09Å; S97-D100 WeakPolarHBondContact CA-OD1 3.37Å; S97-D100 WeakPolarHBondContact CB-OD1 3.26Å; S97-D100 VanDerWaalsContact N-CG 3.27Å; S97-D100 PolarHBondContact N-OD1 3.39Å; S97-D100 PolarHBondContact N-OD2 3.45Å; S97-D100 PolarHBondContact O-N 3.19Å; S97-D100 PolarHBondContact OG-N 2.93Å; S97-D100 PolarHBondContact OG-OD1 3.47Å | ||
| 98 | G | 82 | Confident | 88.9 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -7.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 99 | Y | 85.9 | Confident | 88.6 | Confident | 212 Ų | 212 | 47.1 Ų | 47.1 | 83% | 0.831 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -1.7 | 179.8 | -54.3 | -67.1 | 0 | 0 | 0 | 113.2 | S97 | S97-Y99 PolarHBondContact O-N 2.94Å; S97-Y99 PolarHBondContact OG-N 3.05Å; S97-Y99 VanDerWaalsContact OG-N 3.09Å |
| 100 | D | 89.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | trans | -59.2 | 142.4 | 178.4 | -74.9 | 27.2 | 0 | 0 | 0 | 111.1 | K60 F96 S97 P122 | K60-D100 WeakPolarHBondContact CE-OD2 3.41Å; K60-D100 IonicContact NZ-OD2 2.66Å; K60-D100 PolarHBondContact NZ-OD2 2.86Å; F96-D100 WeakPolarHBondContact CA-OD2 3.47Å; S97-D100 WeakPolarHBondContact CA-OD1 3.37Å; S97-D100 WeakPolarHBondContact CB-OD1 3.26Å; S97-D100 VanDerWaalsContact N-CG 3.27Å; S97-D100 PolarHBondContact N-OD1 3.39Å; S97-D100 PolarHBondContact N-OD2 3.45Å; S97-D100 PolarHBondContact O-N 3.19Å; S97-D100 PolarHBondContact OG-N 2.93Å; S97-D100 PolarHBondContact OG-OD1 3.47Å; D100-P122 HydrophobicContact CB-CG 3.92Å; D100-P122 WeakPolarHBondContact O-CD 3.35Å | ||
| 101 | V | 91.9 | Very high | 87.8 | Confident | 75 Ų | 75 | 53.4 Ų | 53.4 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | trans | -127.1 | 116.6 | 168 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | N119 K121 | V101-N119 HydrophobicContact CG1-CB 4.11Å; V101-K121 HydrophobicContact CG2-CG 4.35Å | ||
| 102 | M | 93.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 125.4 | 172.1 | -70.8 | 179.8 | 62.8 | 0 | 0 | 109.2 | V39 K59 K60 F89 F91 F96 G104 I105 N119 Y120 P122 | V39-M102 HydrophobicContact CG2-SD 4.35Å; K59-M102 WeakPolarHBondContact O-CB 3.47Å; K59-M102 WeakPolarHBondContact O-CE 3.35Å; K60-M102 HydrophobicContact CB-CG 4.21Å; F89-M102 HydrophobicContact CE2-CE 4.23Å; F91-M102 HydrophobicContact CE2-CE 3.7Å; F91-M102 HydrophobicContact CE2-SD 4.35Å; F91-M102 HydrophobicContact CZ-CE 3.76Å; F96-M102 HydrophobicContact CE1-CG 4.43Å; F96-M102 HydrophobicContact CE1-SD 3.79Å; F96-M102 HydrophobicContact CZ-SD 4.13Å; M102-G104 PolarHBondContact O-N 3.17Å; M102-G104 VanDerWaalsContact O-N 3.1Å; M102-I105 HydrophobicContact CE-CD1 4.44Å; M102-I105 HydrophobicContact CE-CG1 4.04Å; M102-N119 CarbonylContact O-C 3.36Å; M102-N119 WeakPolarHBondContact O-CA 3.15Å; M102-N119 PolarHBondContact O-N 3.23Å; M102-Y120 HydrophobicContact CB-CD1 4.21Å; M102-Y120 WeakPolarHBondContact CB-O 3.42Å; M102-Y120 HydrophobicContact CG-CD1 4.27Å; M102-Y120 PolarHBondContact N-O 3.21Å; M102-Y120 PolarHBondContact O-N 3.36Å; M102-Y120 HydrophobicContact SD-CD1 3.69Å; M102-Y120 HydrophobicContact SD-CE1 4.01Å; M102-P122 HydrophobicContact CG-CG 4.45Å; M102-P122 HydrophobicContact SD-CG 4.42Å |
| 103 | P | 93.1 | Very high | 87.9 | Confident | 38 Ų | 38 | 57 Ų | 57 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | -35.7 | 179 | -30.5 | 36.3 | 0 | 0 | 0 | 113.6 | L61 N119 | L61-P103 HydrophobicContact CD1-CG 3.67Å; L61-P103 HydrophobicContact CG-CG 3.92Å; P103-N119 PolarHBondContact O-N 3.05Å; P103-N119 VanDerWaalsContact O-N 3.17Å |
| 104 | G | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | 171.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116 | K59 M102 Y106 I117 | K59-G104 PolarHBondContact N-O 2.86Å; M102-G104 PolarHBondContact O-N 3.17Å; M102-G104 VanDerWaalsContact O-N 3.1Å; G104-Y106 WeakPolarHBondContact O-CE2 3.37Å; G104-I117 CarbonylContact C-O 3.57Å; G104-I117 WeakPolarHBondContact CA-O 3.48Å |
| 105 | I | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132 | 170.6 | -52.2 | 172.6 | 0 | 0 | 0 | 108 | L29 C31 V39 I56 S57 F89 M102 T116 I117 Y120 | L29-I105 HydrophobicContact CD2-CG2 4.18Å; C31-I105 HydrophobicContact CB-CD1 3.94Å; V39-I105 HydrophobicContact CG1-CD1 3.93Å; I56-I105 HydrophobicContact CG2-CG2 3.61Å; S57-I105 CarbonylContact O-C 3.49Å; S57-I105 WeakPolarHBondContact O-CA 3.46Å; F89-I105 HydrophobicContact CE1-CG2 4.2Å; F89-I105 HydrophobicContact CZ-CD1 4.34Å; F89-I105 HydrophobicContact CZ-CG1 4.33Å; F89-I105 HydrophobicContact CZ-CG2 4.08Å; M102-I105 HydrophobicContact CE-CD1 4.44Å; M102-I105 HydrophobicContact CE-CG1 4.04Å; I105-T116 WeakPolarHBondContact O-CA 3.47Å; I105-I117 PolarHBondContact N-O 3.35Å; I105-I117 PolarHBondContact O-N 3.04Å; I105-Y120 HydrophobicContact CD1-CD1 3.84Å; I105-Y120 HydrophobicContact CD1-CD2 3.83Å; I105-Y120 HydrophobicContact CD1-CE1 4.06Å; I105-Y120 HydrophobicContact CD1-CE2 4.04Å; I105-Y120 HydrophobicContact CD1-CG 3.71Å; I105-Y120 HydrophobicContact CG1-CG 4.4Å |
| 106 | Y | 94.2 | Very high | 90 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.2 | -167.9 | -49.4 | -95.7 | 0 | 0 | 0 | 109.7 | I56 S57 K59 G104 T116 | I56-Y106 WeakPolarHBondContact CA-O 3.48Å; S57-Y106 PolarHBondContact N-O 3.33Å; S57-Y106 WeakPolarHBondContact O-CD2 3.32Å; S57-Y106 PolarHBondContact O-N 2.79Å; K59-Y106 HydrophobicContact CB-CE2 4.43Å; K59-Y106 HydrophobicContact CD-CE2 3.66Å; K59-Y106 HydrophobicContact CG-CE2 3.87Å; K59-Y106 PolarHBondContact NZ-OH 2.82Å; K59-Y106 VanDerWaalsContact NZ-OH 3.14Å; G104-Y106 WeakPolarHBondContact O-CE2 3.37Å; Y106-T116 HydrophobicContact CD1-CG2 3.5Å; Y106-T116 WeakPolarHBondContact CD1-OG1 3.11Å; Y106-T116 HydrophobicContact CE1-CG2 3.59Å; Y106-T116 HydrophobicContact CG-CG2 4.37Å |
| 107 | L | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122 | 165.8 | 175.1 | 64 | 0 | 0 | 0 | 108.4 | L29 W43 L48 I56 L77 V114 E115 | L29-L107 HydrophobicContact CD2-CB 4.33Å; W43-L107 HydrophobicContact CD2-CD2 3.88Å; W43-L107 HydrophobicContact CE3-CD2 3.6Å; W43-L107 HydrophobicContact CG-CD2 4.49Å; W43-L107 HydrophobicContact CH2-CD2 4.33Å; W43-L107 HydrophobicContact CZ3-CD2 3.87Å; L48-L107 HydrophobicContact CD1-CD2 4.45Å; I56-L107 HydrophobicContact CG1-CD1 3.74Å; L77-L107 HydrophobicContact CD2-CD1 4.38Å; L107-V114 HydrophobicContact CD2-CB 4.11Å; L107-V114 HydrophobicContact CD2-CG1 4.11Å; L107-V114 HydrophobicContact CG-CB 4.12Å; L107-V114 PolarHBondContact O-N 3.46Å; L107-E115 HydrophobicContact CB-CB 4.16Å; L107-E115 HydrophobicContact CD2-CB 4.37Å; L107-E115 PolarHBondContact N-O 2.86Å |
| 108 | I | 91.7 | Very high | 90.7 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.8 | -177 | -54.9 | 175.5 | 0 | 0 | 0 | 108.5 | C54 S55 T112 | C54-I108 CarbonylContact C-O 3.57Å; C54-I108 VanDerWaalsContact CA-O 3.28Å; C54-I108 WeakPolarHBondContact CA-O 3.29Å; S55-I108 PolarHBondContact N-O 2.83Å; S55-I108 PolarHBondContact O-N 2.04Å; I108-T112 CarbonylContact C-O 3.32Å; I108-T112 WeakPolarHBondContact CA-O 3.42Å |
| 109 | C | 89.3 | Confident | 91.2 | Very high | 12 Ų | 12 | 60 Ų | 60 | 8% | 0.081 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.8 | 178.6 | -72.8 | 0 | 0 | 0 | 0 | 109.9 | L48 C54 G111 T112 V114 | L48-C109 VanDerWaalsContact CD2-SG 3.53Å; C54-C109 HydrophobicContact CB-CB 4.2Å; C54-C109 WeakPolarHBondContact CB-SG 3.21Å; C54-C109 WeakPolarHBondContact SG-CB 3.41Å; C54-C109 CovalentContact SG-SG 2.04Å; C54-C109 PolarHBondContact SG-SG 3.02Å; C109-G111 PolarHBondContact O-N 3.25Å; C109-G111 VanDerWaalsContact O-N 3.16Å; C109-T112 PolarHBondContact N-O 2.04Å; C109-T112 WeakPolarHBondContact O-CB 3.42Å; C109-T112 PolarHBondContact O-N 3.12Å; C109-V114 HydrophobicContact CB-CG2 3.75Å |
| 110 | N | 87.9 | Confident | 91.5 | Very high | 119 Ų | 119 | 50 Ų | 50 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 39.4 | -176.1 | -59.6 | -42.5 | 0 | 0 | 0 | 112.7 | N53 T112 | N53-N110 WeakPolarHBondContact CB-OD1 3.49Å; N53-N110 PolarHBondContact ND2-OD1 2.73Å; N53-N110 PolarHBondContact O-N 2.98Å; N53-N110 VanDerWaalsContact O-N 3.14Å; N110-T112 PolarHBondContact O-N 3.43Å |
| 111 | G | 83.6 | Confident | 91.7 | Very high | 73 Ų | 73 | 52.7 Ų | 52.7 | 75% | 0.753 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -8.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | C109 | C109-G111 PolarHBondContact O-N 3.25Å; C109-G111 VanDerWaalsContact O-N 3.16Å |
| 112 | T | 87.4 | Confident | 91.7 | Very high | 95 Ų | 95 | 49.1 Ų | 49.1 | 58% | 0.583 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.6 | 179.2 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | I108 C109 N110 V114 | I108-T112 CarbonylContact C-O 3.32Å; I108-T112 WeakPolarHBondContact CA-O 3.42Å; C109-T112 PolarHBondContact N-O 2.04Å; C109-T112 WeakPolarHBondContact O-CB 3.42Å; C109-T112 PolarHBondContact O-N 3.12Å; N110-T112 PolarHBondContact O-N 3.43Å; T112-V114 PolarHBondContact O-N 2.88Å |
| 113 | Q | 89.1 | Confident | 91.6 | Very high | 117 Ų | 117 | 49.4 Ų | 49.4 | 55% | 0.547 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 119.6 | 172.5 | -172.7 | -178.8 | -83.3 | 0 | 0 | 109.7 | T116 | Q113-T116 WeakPolarHBondContact CG-OG1 3.21Å; Q113-T116 PolarHBondContact NE2-OG1 3.27Å |
| 114 | V | 89.4 | Confident | 91.5 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -41.2 | -176.2 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | W43 L48 L107 C109 T112 | W43-V114 HydrophobicContact CH2-CG1 4.21Å; W43-V114 HydrophobicContact CZ2-CG1 4.46Å; L48-V114 HydrophobicContact CD1-CG1 4.42Å; L107-V114 HydrophobicContact CD2-CB 4.11Å; L107-V114 HydrophobicContact CD2-CG1 4.11Å; L107-V114 HydrophobicContact CG-CB 4.12Å; L107-V114 PolarHBondContact O-N 3.46Å; C109-V114 HydrophobicContact CB-CG2 3.75Å; T112-V114 PolarHBondContact O-N 2.88Å |
| 115 | E | 91.4 | Very high | 91.5 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 150.6 | -173.9 | 175.8 | 75.6 | 150 | 0 | 0 | 108.8 | R28 L29 W43 L107 | R28-E115 WeakPolarHBondContact CA-OE1 3.21Å; L29-E115 HydrophobicContact CB-CB 4.4Å; L29-E115 HydrophobicContact CB-CG 3.49Å; L29-E115 VanDerWaalsContact CB-CG 3.49Å; L29-E115 PolarHBondContact N-OE1 3.03Å; W43-E115 HydrophobicContact CH2-CB 4.41Å; W43-E115 HydrophobicContact CZ3-CB 3.86Å; W43-E115 HydrophobicContact CZ3-CG 3.96Å; L107-E115 HydrophobicContact CB-CB 4.16Å; L107-E115 HydrophobicContact CD2-CB 4.37Å; L107-E115 PolarHBondContact N-O 2.86Å |
| 116 | T | 93.6 | Very high | 91.4 | Very high | 40 Ų | 40 | 54.5 Ų | 54.5 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 135.9 | 179.1 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | I105 Y106 Q113 T118 | I105-T116 WeakPolarHBondContact O-CA 3.47Å; Y106-T116 HydrophobicContact CD1-CG2 3.5Å; Y106-T116 WeakPolarHBondContact CD1-OG1 3.11Å; Y106-T116 HydrophobicContact CE1-CG2 3.59Å; Y106-T116 HydrophobicContact CG-CG2 4.37Å; Q113-T116 WeakPolarHBondContact CG-OG1 3.21Å; Q113-T116 PolarHBondContact NE2-OG1 3.27Å; T116-T118 HydrophobicContact CG2-CG2 4.05Å |
| 117 | I | 94.3 | Very high | 91.5 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 106.4 | 170.9 | -52.1 | 171 | 0 | 0 | 0 | 106.9 | L29 C31 G104 I105 Y120 | L29-I117 HydrophobicContact CB-CD1 4.32Å; L29-I117 HydrophobicContact CD2-CD1 4.03Å; L29-I117 HydrophobicContact CD2-CG1 4.28Å; L29-I117 HydrophobicContact CG-CD1 4.04Å; C31-I117 HydrophobicContact CB-CD1 4.27Å; G104-I117 CarbonylContact C-O 3.57Å; G104-I117 WeakPolarHBondContact CA-O 3.48Å; I105-I117 PolarHBondContact N-O 3.35Å; I105-I117 PolarHBondContact O-N 3.04Å; I117-Y120 HydrophobicContact CG2-CD2 4.2Å |
| 118 | T | 94.3 | Very high | 91.6 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 60% | 0.595 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 153.9 | 174 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | T116 Y120 | T116-T118 HydrophobicContact CG2-CG2 4.05Å; T118-Y120 PolarHBondContact O-N 2.88Å |
| 119 | N | 92.8 | Very high | 91.8 | Very high | 114 Ų | 114 | 56 Ų | 56 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 40.2 | 175.2 | -57.4 | -23.8 | 0 | 0 | 0 | 113.7 | V101 M102 P103 K121 | V101-N119 HydrophobicContact CG1-CB 4.11Å; M102-N119 CarbonylContact O-C 3.36Å; M102-N119 WeakPolarHBondContact O-CA 3.15Å; M102-N119 PolarHBondContact O-N 3.23Å; P103-N119 PolarHBondContact O-N 3.05Å; P103-N119 VanDerWaalsContact O-N 3.17Å; N119-K121 PolarHBondContact O-N 3.31Å |
| 120 | Y | 93.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 120.2 | -178.5 | 171.4 | -89.1 | 0 | 0 | 0 | 110.1 | C31 N33 M102 I105 I117 T118 P122 H125 | C31-Y120 HydrophobicContact CB-CE2 3.94Å; N33-Y120 PolarHBondContact ND2-OH 2.92Å; M102-Y120 HydrophobicContact CB-CD1 4.21Å; M102-Y120 WeakPolarHBondContact CB-O 3.42Å; M102-Y120 HydrophobicContact CG-CD1 4.27Å; M102-Y120 PolarHBondContact N-O 3.21Å; M102-Y120 PolarHBondContact O-N 3.36Å; M102-Y120 HydrophobicContact SD-CD1 3.69Å; M102-Y120 HydrophobicContact SD-CE1 4.01Å; I105-Y120 HydrophobicContact CD1-CD1 3.84Å; I105-Y120 HydrophobicContact CD1-CD2 3.83Å; I105-Y120 HydrophobicContact CD1-CE1 4.06Å; I105-Y120 HydrophobicContact CD1-CE2 4.04Å; I105-Y120 HydrophobicContact CD1-CG 3.71Å; I105-Y120 HydrophobicContact CG1-CG 4.4Å; I117-Y120 HydrophobicContact CG2-CD2 4.2Å; T118-Y120 PolarHBondContact O-N 2.88Å; Y120-P122 HydrophobicContact CD1-CG 4.34Å; Y120-P122 HydrophobicContact CE1-CB 4.44Å; Y120-P122 HydrophobicContact CE1-CG 4.13Å; Y120-P122 WeakPolarHBondContact O-CD 3.21Å; Y120-H125 AromaticContact CD2-CD2 3.41Å; Y120-H125 VanDerWaalsContact CD2-CD2 3.41Å; Y120-H125 WeakPolarHBondContact CD2-CD2 3.46Å; Y120-H125 HydrophobicContact CE2-CB 3.62Å; Y120-H125 AromaticContact CE2-CD2 3.26Å; Y120-H125 WeakPolarHBondContact CE2-CD2 3.49Å; Y120-H125 AromaticContact CE2-CG 3.64Å; Y120-H125 WeakPolarHBondContact OH-CB 3.48Å |
| 121 | K | 92.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 52.5 Ų | 52.5 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | trans | -96.7 | 113.3 | 177.6 | -65.9 | 167.6 | 176.5 | 174.5 | 0 | 110 | V101 N119 G123 E124 H125 | V101-K121 HydrophobicContact CG2-CG 4.35Å; N119-K121 PolarHBondContact O-N 3.31Å; K121-G123 PolarHBondContact O-N 3.04Å; K121-E124 HydrophobicContact CB-CB 4.29Å; K121-E124 HydrophobicContact CB-CG 4.3Å; K121-E124 HydrophobicContact CD-CG 4.11Å; K121-E124 WeakPolarHBondContact CD-OE1 3.5Å; K121-E124 WeakPolarHBondContact CD-OE2 3.4Å; K121-E124 WeakPolarHBondContact CE-OE1 3.3Å; K121-E124 IonicContact NZ-OE1 3.55Å; K121-E124 PolarHBondContact NZ-OE1 2.86Å; K121-E124 IonicContact NZ-OE2 3.14Å; K121-E124 PolarHBondContact NZ-OE2 3.4Å; K121-E124 PolarHBondContact O-N 2.91Å; K121-E124 VanDerWaalsContact O-N 3.15Å; K121-H125 PolarHBondContact O-CD2 2.94Å | ||
| 122 | P | 92.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -57.6 | -35.3 | 177.3 | -25.8 | 37.3 | 0 | 0 | 0 | 112.7 | N33 L35 F96 D100 M102 Y120 E124 H125 I126 | N33-P122 WeakPolarHBondContact ND2-CA 3.19Å; N33-P122 PolarHBondContact ND2-O 2.77Å; N33-P122 WeakPolarHBondContact OD1-CB 3.38Å; L35-P122 HydrophobicContact CD1-CB 4.18Å; F96-P122 HydrophobicContact CB-CB 4.01Å; F96-P122 HydrophobicContact CB-CG 4.43Å; F96-P122 HydrophobicContact CD1-CB 3.9Å; F96-P122 HydrophobicContact CD1-CG 3.49Å; F96-P122 VanDerWaalsContact CD1-CG 3.49Å; F96-P122 HydrophobicContact CE1-CG 3.87Å; F96-P122 HydrophobicContact CG-CB 3.96Å; F96-P122 HydrophobicContact CG-CG 4.09Å; D100-P122 HydrophobicContact CB-CG 3.92Å; D100-P122 WeakPolarHBondContact O-CD 3.35Å; M102-P122 HydrophobicContact CG-CG 4.45Å; M102-P122 HydrophobicContact SD-CG 4.42Å; Y120-P122 HydrophobicContact CD1-CG 4.34Å; Y120-P122 HydrophobicContact CE1-CB 4.44Å; Y120-P122 HydrophobicContact CE1-CG 4.13Å; Y120-P122 WeakPolarHBondContact O-CD 3.21Å; P122-E124 PolarHBondContact O-N 2.73Å; P122-H125 PolarHBondContact O-N 3.01Å; P122-I126 VanDerWaalsContact O-CG1 3.24Å; P122-I126 WeakPolarHBondContact O-CG1 3.43Å |
| 123 | G | 90.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63.7 | -17.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | K121 | K121-G123 PolarHBondContact O-N 3.04Š|
| 124 | E | 90.6 | Very high | 93.9 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -105.1 | -1.2 | 179.3 | -67.6 | 178.1 | -166.7 | 0 | 0 | 112.9 | K121 P122 G211 | K121-E124 HydrophobicContact CB-CB 4.29Å; K121-E124 HydrophobicContact CB-CG 4.3Å; K121-E124 HydrophobicContact CD-CG 4.11Å; K121-E124 WeakPolarHBondContact CD-OE1 3.5Å; K121-E124 WeakPolarHBondContact CD-OE2 3.4Å; K121-E124 WeakPolarHBondContact CE-OE1 3.3Å; K121-E124 IonicContact NZ-OE1 3.55Å; K121-E124 PolarHBondContact NZ-OE1 2.86Å; K121-E124 IonicContact NZ-OE2 3.14Å; K121-E124 PolarHBondContact NZ-OE2 3.4Å; K121-E124 PolarHBondContact O-N 2.91Å; K121-E124 VanDerWaalsContact O-N 3.15Å; P122-E124 PolarHBondContact O-N 2.73Å; E124-G211 CarbonylContact O-C 3.58Å; E124-G211 VanDerWaalsContact O-C 3.28Å; E124-G211 VanDerWaalsContact O-CA 3.3Å; E124-G211 WeakPolarHBondContact O-CA 3.31Å |
| 125 | H | 93.2 | Very high | 94.3 | Very high | 62 Ų | 62 | 41.3 Ų | 41.3 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -134.8 | 37.8 | -172 | -65.4 | -47.3 | 0 | 0 | 0 | 112.6 | T32 N33 Y120 K121 P122 | T32-H125 CarbonylContact C-O 3.57Å; T32-H125 WeakPolarHBondContact CA-O 3.12Å; T32-H125 WeakPolarHBondContact CB-O 3.27Å; N33-H125 PolarHBondContact N-O 3.45Å; N33-H125 PolarHBondContact ND2-O 3.13Å; Y120-H125 AromaticContact CD2-CD2 3.41Å; Y120-H125 VanDerWaalsContact CD2-CD2 3.41Å; Y120-H125 WeakPolarHBondContact CD2-CD2 3.46Å; Y120-H125 HydrophobicContact CE2-CB 3.62Å; Y120-H125 AromaticContact CE2-CD2 3.26Å; Y120-H125 WeakPolarHBondContact CE2-CD2 3.49Å; Y120-H125 AromaticContact CE2-CG 3.64Å; Y120-H125 WeakPolarHBondContact OH-CB 3.48Å; K121-H125 PolarHBondContact O-CD2 2.94Å; P122-H125 PolarHBondContact O-N 3.01Å |
| 126 | I | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -78.7 | 137.3 | -173.7 | -51.1 | 177.1 | 0 | 0 | 0 | 110.5 | N33 L35 P122 M128 F157 P206 R209 S212 H213 | N33-I126 CarbonylContact O-C 3.58Å; N33-I126 VanDerWaalsContact O-CA 3.31Å; N33-I126 WeakPolarHBondContact O-CA 3.5Å; L35-I126 HydrophobicContact CB-CD1 4.4Å; L35-I126 HydrophobicContact CB-CG2 4.4Å; L35-I126 HydrophobicContact CD1-CD1 4.12Å; L35-I126 HydrophobicContact CD1-CG1 4.31Å; L35-I126 HydrophobicContact CD2-CD1 4.01Å; L35-I126 HydrophobicContact CG-CD1 4.41Å; P122-I126 VanDerWaalsContact O-CG1 3.24Å; P122-I126 WeakPolarHBondContact O-CG1 3.43Å; I126-M128 HydrophobicContact CG2-CG 4.41Å; I126-F157 HydrophobicContact CD1-CE1 3.94Å; I126-F157 HydrophobicContact CG2-CE1 4.1Å; I126-F157 HydrophobicContact CG2-CZ 3.87Å; I126-P206 HydrophobicContact CG2-CG 4.22Å; I126-R209 HydrophobicContact CD1-CB 4.01Å; I126-R209 HydrophobicContact CD1-CG 3.88Å; I126-S212 WeakPolarHBondContact O-CA 3.14Å; I126-H213 PolarHBondContact O-N 2.9Å |
| 127 | K | 95.8 | Very high | 94.3 | Very high | 57 Ų | 57 | 43.4 Ų | 43.4 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -135.3 | 111.1 | 162 | -170.7 | -168.5 | -173.5 | -167.1 | 0 | 108 | T32 N33 H213 D216 | T32-K127 HydrophobicContact CG2-CB 4.24Å; N33-K127 PolarHBondContact O-N 3.4Å; K127-H213 HydrophobicContact CB-CB 4.28Å; K127-H213 HydrophobicContact CG-CB 4.28Å; K127-D216 WeakPolarHBondContact CE-OD2 3.43Å; K127-D216 IonicContact NZ-OD1 2.67Å; K127-D216 PolarHBondContact NZ-OD1 3.01Å; K127-D216 IonicContact NZ-OD2 3.62Å; K127-D216 PolarHBondContact NZ-OD2 3.38Å |
| 128 | M | 95.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 4% | 0.044 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -70 | 156.2 | -179.1 | -69.8 | -176 | 71.2 | 0 | 0 | 112.4 | I126 L149 F157 F161 V204 P206 S215 | I126-M128 HydrophobicContact CG2-CG 4.41Å; M128-L149 HydrophobicContact CE-CD2 4.19Å; M128-F157 HydrophobicContact CE-CD2 4.34Å; M128-F157 HydrophobicContact CE-CE2 4.09Å; M128-F157 HydrophobicContact CG-CE2 4.28Å; M128-F157 HydrophobicContact CG-CZ 4.03Å; M128-F157 HydrophobicContact SD-CE2 4.32Å; M128-F157 HydrophobicContact SD-CZ 4.32Å; M128-F161 HydrophobicContact CE-CD1 3.8Å; M128-F161 HydrophobicContact CE-CE1 3.42Å; M128-F161 VanDerWaalsContact CE-CE1 3.42Å; M128-F161 HydrophobicContact CE-CZ 4.22Å; M128-F161 HydrophobicContact SD-CD1 3.69Å; M128-F161 HydrophobicContact SD-CE1 3.7Å; M128-V204 HydrophobicContact CB-CG1 3.88Å; M128-V204 HydrophobicContact CE-CG1 4.12Å; M128-V204 HydrophobicContact CE-CG2 4.46Å; M128-V204 HydrophobicContact SD-CG1 3.94Å; M128-V204 HydrophobicContact SD-CG2 4.12Å; M128-P206 HydrophobicContact SD-CB 4.18Å; M128-P206 HydrophobicContact SD-CG 4.28Å; M128-S215 WeakPolarHBondContact O-CA 3.49Å; M128-S215 WeakPolarHBondContact O-CB 3.35Å |
| 129 | H | 95.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 44.8 Ų | 44.8 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 144.9 | 167 | -68.1 | -68.2 | 0 | 0 | 0 | 111.1 | D34 P152 | D34-H129 WeakPolarHBondContact CB-NE2 3.45Å; D34-H129 IonicContact OD2-CD2 2.66Å; D34-H129 IonicContact OD2-CE1 2.66Å; D34-H129 IonicContact OD2-NE2 3.48Å; D34-H129 PolarHBondContact OD2-NE2 2.94Å; H129-P152 PolarHBondContact CD2-O 3.37Å |
| 130 | P | 96.7 | Very high | 93.4 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 139.5 | -180 | 27.1 | -34.6 | 0 | 0 | 0 | 110.9 | G150 D216 | P130-G150 WeakPolarHBondContact O-CA 3.32Å; P130-D216 HydrophobicContact CB-CB 4.4Å; P130-D216 WeakPolarHBondContact CB-O 3.39Å |
| 131 | P | 97.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 161.1 | 174.5 | -28.6 | 37.4 | 0 | 0 | 0 | 113.9 | S148 V202 V204 S215 S218 | P131-S148 WeakPolarHBondContact CB-O 3.18Å; P131-V202 HydrophobicContact CB-CG1 3.67Å; P131-V202 HydrophobicContact CG-CG1 4.07Å; P131-V204 HydrophobicContact CG-CB 4.02Å; P131-V204 HydrophobicContact CG-CG1 3.97Å; P131-S215 WeakPolarHBondContact CD-OG 3.49Å; P131-S218 WeakPolarHBondContact O-CA 3.36Å; P131-S218 WeakPolarHBondContact O-CB 3.37Å |
| 132 | G | 95.6 | Very high | 93 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 158.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S148 S218 | G132-S148 PolarHBondContact N-O 3.4Å; G132-S218 WeakPolarHBondContact O-CB 3.33Å |
| 133 | A | 96.3 | Very high | 92.9 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 44% | 0.438 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 128.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G135 P219 | A133-G135 PolarHBondContact O-N 3.37Å; A133-P219 HydrophobicContact CB-CB 4Å; A133-P219 HydrophobicContact CB-CG 4.39Å |
| 134 | P | 96.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 125 | -176.9 | -26.8 | 34.6 | 0 | 0 | 0 | 112.5 | I145 S146 V202 T221 | P134-I145 HydrophobicContact CB-CG2 3.94Å; P134-S146 CarbonylContact C-O 3.57Å; P134-S146 VanDerWaalsContact CA-O 3.29Å; P134-S146 WeakPolarHBondContact CA-O 3.44Å; P134-V202 HydrophobicContact CG-CB 4.45Å; P134-V202 HydrophobicContact CG-CG1 4.02Å; P134-T221 VanDerWaalsContact O-CB 3.23Å; P134-T221 WeakPolarHBondContact O-CB 3.38Å; P134-T221 VanDerWaalsContact O-CG2 3.31Å; P134-T221 WeakPolarHBondContact O-CG2 3.2Å; P134-T221 PolarHBondContact O-OG1 3.41Å |
| 135 | G | 95.9 | Very high | 93.4 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A133 I145 S146 | A133-G135 PolarHBondContact O-N 3.37Å; G135-I145 CarbonylContact O-C 3.58Å; G135-I145 WeakPolarHBondContact O-CA 3.3Å; G135-S146 PolarHBondContact N-O 3.28Å; G135-S146 PolarHBondContact O-N 2.83Å |
| 136 | I | 94.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 45 Ų | 45 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119 | 178.9 | -47.6 | -65.9 | 0 | 0 | 0 | 108.6 | I138 T143 I145 T221 W223 | I136-I138 HydrophobicContact CG2-CD1 4.18Å; I136-I138 HydrophobicContact CG2-CG1 3.86Å; I136-T143 HydrophobicContact CG2-CG2 4.14Å; I136-I145 HydrophobicContact CD1-CB 4.2Å; I136-I145 HydrophobicContact CD1-CD1 4.33Å; I136-I145 HydrophobicContact CD1-CG1 3.84Å; I136-I145 HydrophobicContact CD1-CG2 3.81Å; I136-T221 HydrophobicContact CG1-CG2 3.77Å; I136-W223 HydrophobicContact CD1-CD2 4.04Å; I136-W223 HydrophobicContact CD1-CE3 3.63Å; I136-W223 HydrophobicContact CD1-CH2 4.04Å; I136-W223 HydrophobicContact CD1-CZ2 4.4Å; I136-W223 HydrophobicContact CD1-CZ3 3.65Å; I136-W223 HydrophobicContact CG1-CD2 3.97Å; I136-W223 HydrophobicContact CG1-CE3 3.72Å; I136-W223 HydrophobicContact CG1-CG 4.34Å; I136-W223 HydrophobicContact CG1-CZ3 4.25Å; I136-W223 HydrophobicContact CG2-CB 4.4Å; I136-W223 HydrophobicContact CG2-CD2 4.02Å; I136-W223 HydrophobicContact CG2-CG 3.9Å |
| 137 | N | 92.3 | Very high | 93.7 | Very high | 96 Ų | 96 | 45.6 Ų | 45.6 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.4 | 173.4 | -174.8 | -7.6 | 0 | 0 | 0 | 109.2 | T143 V144 | N137-T143 CarbonylContact O-C 3.59Å; N137-T143 WeakPolarHBondContact O-CA 3.39Å; N137-V144 HydrophobicContact CB-CB 4.41Å; N137-V144 PolarHBondContact N-O 3.37Å; N137-V144 PolarHBondContact O-N 2.94Å |
| 138 | I | 89.7 | Confident | 93.7 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 111.2 | -175.2 | -50 | 179.3 | 0 | 0 | 0 | 108.7 | I136 T143 | I136-I138 HydrophobicContact CG2-CD1 4.18Å; I136-I138 HydrophobicContact CG2-CG1 3.86Å; I138-T143 HydrophobicContact CG1-CG2 4.26Å |
| 139 | T | 87.3 | Confident | 93.7 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 34% | 0.344 | 29% | 0.293 | S | S | . | . | trans | -107.5 | 159 | 173.5 | -60.4 | 0 | 0 | 0 | 0 | 109.1 | N141 F142 | T139-N141 PolarHBondContact O-N 2.93Å; T139-F142 CarbonylContact C-O 3.6Å; T139-F142 WeakPolarHBondContact CA-O 3.24Å; T139-F142 HydrophobicContact CG2-CD1 4.45Å; T139-F142 HydrophobicContact CG2-CE1 3.95Å; T139-F142 HydrophobicContact CG2-CE2 4.29Å; T139-F142 HydrophobicContact CG2-CZ 3.85Å; T139-F142 PolarHBondContact N-O 3.47Å; T139-F142 PolarHBondContact O-N 2.95Å; T139-F142 WeakPolarHBondContact OG1-CE2 3.12Å | ||
| 140 | A | 84.2 | Confident | 93.6 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 75% | 0.752 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -51.9 | -30.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A191 | A140-A191 WeakPolarHBondContact O-CB 3.49Š|
| 141 | N | 87.3 | Confident | 93.3 | Very high | 129 Ų | 129 | 49.3 Ų | 49.3 | 69% | 0.69 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -102.3 | -23 | -176.3 | -60.9 | -5.2 | 0 | 0 | 0 | 113.6 | T139 A191 | T139-N141 PolarHBondContact O-N 2.93Å; N141-A191 VanDerWaalsContact C-CB 3.46Å; N141-A191 PolarHBondContact O-N 2.92Å |
| 142 | F | 90.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 33% | 0.329 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 152.5 | -172.6 | 58.3 | -101.3 | 0 | 0 | 0 | 113.2 | T139 V144 T189 | T139-F142 CarbonylContact C-O 3.6Å; T139-F142 WeakPolarHBondContact CA-O 3.24Å; T139-F142 HydrophobicContact CG2-CD1 4.45Å; T139-F142 HydrophobicContact CG2-CE1 3.95Å; T139-F142 HydrophobicContact CG2-CE2 4.29Å; T139-F142 HydrophobicContact CG2-CZ 3.85Å; T139-F142 PolarHBondContact N-O 3.47Å; T139-F142 PolarHBondContact O-N 2.95Å; T139-F142 WeakPolarHBondContact OG1-CE2 3.12Å; F142-V144 HydrophobicContact CD2-CG2 3.72Å; F142-V144 HydrophobicContact CE2-CG2 3.87Å; F142-T189 CarbonylContact C-O 3.49Å; F142-T189 WeakPolarHBondContact CA-O 3.13Å |
| 143 | T | 91.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.4 | 163.4 | -59 | 0 | 0 | 0 | 0 | 108.9 | I136 N137 I138 I145 T189 L194 | I136-T143 HydrophobicContact CG2-CG2 4.14Å; N137-T143 CarbonylContact O-C 3.59Å; N137-T143 WeakPolarHBondContact O-CA 3.39Å; I138-T143 HydrophobicContact CG1-CG2 4.26Å; T143-I145 HydrophobicContact CG2-CG1 4.32Å; T143-T189 PolarHBondContact N-O 2.94Å; T143-T189 PolarHBondContact O-N 3.41Å; T143-L194 HydrophobicContact CG2-CD1 4.38Å |
| 144 | V | 94.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.2 | 167.4 | -170.7 | 0 | 0 | 0 | 0 | 108.3 | N137 F142 E186 R188 | N137-V144 HydrophobicContact CB-CB 4.41Å; N137-V144 PolarHBondContact N-O 3.37Å; N137-V144 PolarHBondContact O-N 2.94Å; F142-V144 HydrophobicContact CD2-CG2 3.72Å; F142-V144 HydrophobicContact CE2-CG2 3.87Å; V144-E186 HydrophobicContact CG1-CB 4.05Å; V144-E186 WeakPolarHBondContact CG1-OE2 3.47Å; V144-R188 HydrophobicContact CG2-CG 4.34Å |
| 145 | I | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.7 | 167.9 | -54.3 | -177.6 | 0 | 0 | 0 | 106.1 | P134 G135 I136 T143 W147 L165 I167 E186 L187 L194 W223 | P134-I145 HydrophobicContact CB-CG2 3.94Å; G135-I145 CarbonylContact O-C 3.58Å; G135-I145 WeakPolarHBondContact O-CA 3.3Å; I136-I145 HydrophobicContact CD1-CB 4.2Å; I136-I145 HydrophobicContact CD1-CD1 4.33Å; I136-I145 HydrophobicContact CD1-CG1 3.84Å; I136-I145 HydrophobicContact CD1-CG2 3.81Å; T143-I145 HydrophobicContact CG2-CG1 4.32Å; I145-W147 HydrophobicContact CB-CZ3 4.45Å; I145-W147 HydrophobicContact CG2-CE3 4.17Å; I145-W147 HydrophobicContact CG2-CZ3 4Å; I145-W147 WeakPolarHBondContact O-CZ3 3.23Å; I145-L165 HydrophobicContact CD1-CD2 4.42Å; I145-L165 HydrophobicContact CG2-CD1 4.22Å; I145-L165 HydrophobicContact CG2-CD2 4.25Å; I145-I167 HydrophobicContact CD1-CD1 3.68Å; I145-I167 HydrophobicContact CD1-CG1 4.46Å; I145-E186 CarbonylContact O-C 3.53Å; I145-E186 WeakPolarHBondContact O-CA 3.44Å; I145-L187 PolarHBondContact N-O 3.44Å; I145-L187 PolarHBondContact O-N 3.46Å; I145-L194 HydrophobicContact CD1-CD1 4.07Å; I145-W223 HydrophobicContact CD1-CH2 3.82Å; I145-W223 HydrophobicContact CD1-CZ2 3.96Å |
| 146 | S | 97.1 | Very high | 92 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.1 | -177.6 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | P134 G135 Q185 | P134-S146 CarbonylContact C-O 3.57Å; P134-S146 VanDerWaalsContact CA-O 3.29Å; P134-S146 WeakPolarHBondContact CA-O 3.44Å; G135-S146 PolarHBondContact N-O 3.28Å; G135-S146 PolarHBondContact O-N 2.83Å; S146-Q185 CarbonylContact C-O 3.55Å; S146-Q185 WeakPolarHBondContact CA-O 3.43Å |
| 147 | W | 97.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 5% | 0.045 | 33% | 0.327 | C | S | . | . | trans | -150.4 | 143.9 | -177 | 51.6 | 87 | 0 | 0 | 0 | 113 | I145 F163 L165 T182 E184 Q185 L187 V202 | I145-W147 HydrophobicContact CB-CZ3 4.45Å; I145-W147 HydrophobicContact CG2-CE3 4.17Å; I145-W147 HydrophobicContact CG2-CZ3 4Å; I145-W147 WeakPolarHBondContact O-CZ3 3.23Å; W147-F163 AromaticContact CD1-CD1 3.75Å; W147-F163 AromaticContact CD1-CE1 3.69Å; W147-F163 HydrophobicContact CZ2-CB 4.09Å; W147-F163 HydrophobicContact CZ2-CG 4.3Å; W147-F163 AromaticContact NE1-CD1 3.17Å; W147-F163 AromaticContact NE1-CD2 3.76Å; W147-F163 AromaticContact NE1-CE1 3.46Å; W147-F163 AromaticContact NE1-CG 3.33Å; W147-F163 VanDerWaalsContact NE1-CG 3.33Å; W147-F163 AromaticContact NE1-CZ 3.88Å; W147-L165 HydrophobicContact CE3-CD1 4.41Å; W147-L165 HydrophobicContact CH2-CB 4.43Å; W147-L165 HydrophobicContact CH2-CD2 4.21Å; W147-L165 HydrophobicContact CZ3-CD1 4.11Å; W147-L165 HydrophobicContact CZ3-CD2 3.95Å; W147-L165 HydrophobicContact CZ3-CG 4.47Å; W147-T182 HydrophobicContact CH2-CG2 4.01Å; W147-T182 HydrophobicContact CZ2-CG2 3.75Å; W147-E184 WeakPolarHBondContact CZ2-O 3.32Å; W147-Q185 PolarHBondContact N-O 3Å; W147-Q185 PolarHBondContact O-NE2 3.32Å; W147-L187 HydrophobicContact CH2-CB 4.26Å; W147-L187 HydrophobicContact CZ3-CB 4.35Å; W147-V202 HydrophobicContact CB-CG1 3.86Å; W147-V202 HydrophobicContact CD2-CB 4.38Å; W147-V202 HydrophobicContact CD2-CG1 4.15Å; W147-V202 HydrophobicContact CD2-CG2 3.97Å; W147-V202 HydrophobicContact CG-CB 4.47Å; W147-V202 HydrophobicContact CG-CG1 3.76Å; W147-V202 HydrophobicContact CG-CG2 4.22Å; W147-V202 HydrophobicContact CZ2-CG2 4.25Å | ||
| 148 | S | 95.4 | Very high | 91.6 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 160.1 | 168.3 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | P131 G132 | P131-S148 WeakPolarHBondContact CB-O 3.18Å; G132-S148 PolarHBondContact N-O 3.4Å |
| 149 | L | 96.1 | Very high | 91.6 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 162.7 | 157.8 | -67.2 | 169.1 | 0 | 0 | 0 | 110.2 | M128 V153 F161 F163 V204 | M128-L149 HydrophobicContact CE-CD2 4.19Å; L149-V153 HydrophobicContact CB-CG2 3.77Å; L149-V153 HydrophobicContact CD1-CG1 4.21Å; L149-V153 HydrophobicContact CD1-CG2 4.01Å; L149-V153 HydrophobicContact CG-CG2 4.49Å; L149-F161 HydrophobicContact CD1-CD2 4.05Å; L149-F161 HydrophobicContact CD1-CE2 3.57Å; L149-F161 HydrophobicContact CD1-CZ 3.96Å; L149-F161 HydrophobicContact CD2-CD1 4.41Å; L149-F161 HydrophobicContact CD2-CD2 4.08Å; L149-F161 HydrophobicContact CD2-CE2 4.29Å; L149-F161 HydrophobicContact CD2-CG 4.15Å; L149-F163 HydrophobicContact CD2-CE1 3.85Å; L149-F163 HydrophobicContact CD2-CZ 3.76Å; L149-V204 HydrophobicContact CD2-CG2 4.02Å |
| 150 | G | 94 | Very high | 91.8 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -90.7 | 127.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | P130 V153 | P130-G150 WeakPolarHBondContact O-CA 3.32Å; G150-V153 WeakPolarHBondContact O-CG2 3.49Å |
| 151 | D | 90.8 | Very high | 92.4 | Very high | 139 Ų | 139 | 53.4 Ų | 53.4 | 74% | 0.743 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -80.2 | 148.9 | 175.9 | -74.4 | -57.1 | 0 | 0 | 0 | 112.2 | ||
| 152 | P | 91.9 | Very high | 92.8 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | S | Bend | cis | -79.4 | 143.6 | -3.6 | 31.8 | -37 | 0 | 0 | 0 | 113.7 | V36 H129 | V36-P152 HydrophobicContact CB-CG 4.27Å; V36-P152 HydrophobicContact CG1-CB 4.27Å; V36-P152 HydrophobicContact CG1-CG 4.13Å; V36-P152 HydrophobicContact CG2-CB 4.12Å; V36-P152 HydrophobicContact CG2-CG 4.04Å; H129-P152 PolarHBondContact CD2-O 3.37Å |
| 153 | V | 91.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 134.5 | 173.1 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | L149 G150 F157 F161 | L149-V153 HydrophobicContact CB-CG2 3.77Å; L149-V153 HydrophobicContact CD1-CG1 4.21Å; L149-V153 HydrophobicContact CD1-CG2 4.01Å; L149-V153 HydrophobicContact CG-CG2 4.49Å; G150-V153 WeakPolarHBondContact O-CG2 3.49Å; V153-F157 HydrophobicContact CG1-CD2 3.96Å; V153-F161 HydrophobicContact CG1-CZ 4.13Å |
| 154 | S | 90.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 135.5 | 176.8 | -168.2 | 0 | 0 | 0 | 0 | 112.7 | L35 Y156 F157 | L35-S154 WeakPolarHBondContact O-CB 3.46Å; L35-S154 PolarHBondContact O-OG 3.21Å; S154-Y156 PolarHBondContact O-N 2.99Å; S154-Y156 VanDerWaalsContact O-N 3.15Å; S154-F157 WeakPolarHBondContact O-CD2 3.4Å; S154-F157 PolarHBondContact O-N 2.9Å |
| 155 | M | 89.8 | Confident | 93.6 | Very high | 117 Ų | 117 | 46.7 Ų | 46.7 | 58% | 0.576 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.7 | 177.3 | 70 | -159.5 | -165.8 | 0 | 0 | 113.8 | K95 F157 | K95-M155 HydrophobicContact CD-CE 4.28Å; K95-M155 HydrophobicContact CD-SD 4.07Å; M155-F157 VanDerWaalsContact C-N 3.3Å; M155-F157 PolarHBondContact O-N 2.87Å |
| 156 | Y | 89 | Confident | 93.7 | Very high | 81 Ų | 81 | 47.4 Ų | 47.4 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 7.2 | 177.7 | -57.8 | -68.2 | 0 | 0 | 0 | 113.8 | K95 F96 S154 T158 R209 | K95-Y156 HydrophobicContact CB-CE2 4.35Å; F96-Y156 WeakPolarHBondContact O-CD2 3.45Å; F96-Y156 VanDerWaalsContact O-CE2 3.25Å; F96-Y156 WeakPolarHBondContact O-CE2 3.32Å; S154-Y156 PolarHBondContact O-N 2.99Å; S154-Y156 VanDerWaalsContact O-N 3.15Å; Y156-T158 PolarHBondContact O-N 3.1Å; Y156-R209 PolarHBondContact O-NH2 3.02Å |
| 157 | F | 90.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 10% | 0.101 | 26% | 0.26 | C | S | . | . | trans | -89 | 73.6 | 172.2 | -64.2 | -52.1 | 0 | 0 | 0 | 111.8 | L35 I126 M128 V153 S154 M155 F161 P206 | L35-F157 HydrophobicContact CB-CE1 4.39Å; L35-F157 HydrophobicContact CB-CE2 4.49Å; L35-F157 HydrophobicContact CB-CZ 3.84Å; L35-F157 HydrophobicContact CD2-CD1 4.36Å; L35-F157 HydrophobicContact CD2-CE1 3.86Å; L35-F157 HydrophobicContact CD2-CZ 4.07Å; I126-F157 HydrophobicContact CD1-CE1 3.94Å; I126-F157 HydrophobicContact CG2-CE1 4.1Å; I126-F157 HydrophobicContact CG2-CZ 3.87Å; M128-F157 HydrophobicContact CE-CD2 4.34Å; M128-F157 HydrophobicContact CE-CE2 4.09Å; M128-F157 HydrophobicContact CG-CE2 4.28Å; M128-F157 HydrophobicContact CG-CZ 4.03Å; M128-F157 HydrophobicContact SD-CE2 4.32Å; M128-F157 HydrophobicContact SD-CZ 4.32Å; V153-F157 HydrophobicContact CG1-CD2 3.96Å; S154-F157 WeakPolarHBondContact O-CD2 3.4Å; S154-F157 PolarHBondContact O-N 2.9Å; M155-F157 VanDerWaalsContact C-N 3.3Å; M155-F157 PolarHBondContact O-N 2.87Å; F157-F161 HydrophobicContact CB-CE1 3.66Å; F157-F161 HydrophobicContact CB-CZ 3.56Å; F157-F161 HydrophobicContact CD1-CE1 4.37Å; F157-F161 AromaticContact CD2-CE1 3.87Å; F157-F161 HydrophobicContact CD2-CE1 3.87Å; F157-F161 HydrophobicContact CD2-CZ 4.12Å; F157-F161 AromaticContact CG-CE1 3.73Å; F157-F161 HydrophobicContact CG-CE1 3.73Å; F157-F161 HydrophobicContact CG-CZ 4.05Å; F157-P206 HydrophobicContact CD1-CB 3.57Å; F157-P206 HydrophobicContact CD1-CG 4.34Å; F157-P206 HydrophobicContact CE1-CB 3.56Å; F157-P206 HydrophobicContact CE1-CG 3.81Å; F157-P206 HydrophobicContact CZ-CB 4.48Å | ||
| 158 | T | 87.6 | Confident | 93.4 | Very high | 122 Ų | 122 | 45.4 Ų | 45.4 | 75% | 0.748 | 26% | 0.26 | S | S | * | . | trans | -84.6 | -22 | -176.3 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | Y156 | Y156-T158 PolarHBondContact O-N 3.1Š| ||
| 159 | S | 89.7 | Confident | 93.3 | Very high | 71 Ų | 71 | 46.7 Ų | 46.7 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -87.4 | 1.9 | -174.9 | -50.2 | 0 | 0 | 0 | 0 | 114.9 | V207 | S159-V207 WeakPolarHBondContact O-CB 3.38Š|
| 160 | G | 93.2 | Very high | 93.1 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 30% | 0.299 | 27% | 0.273 | S | S | . | . | trans | 80.8 | -165.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V207 | G160-V207 WeakPolarHBondContact O-CB 3.38Å; G160-V207 PolarHBondContact O-N 2.92Å | ||
| 161 | F | 96.1 | Very high | 92.8 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.6 | -168.7 | -54.4 | -76.5 | 0 | 0 | 0 | 111.8 | M128 L149 V153 F157 F163 V204 P206 | M128-F161 HydrophobicContact CE-CD1 3.8Å; M128-F161 HydrophobicContact CE-CE1 3.42Å; M128-F161 VanDerWaalsContact CE-CE1 3.42Å; M128-F161 HydrophobicContact CE-CZ 4.22Å; M128-F161 HydrophobicContact SD-CD1 3.69Å; M128-F161 HydrophobicContact SD-CE1 3.7Å; L149-F161 HydrophobicContact CD1-CD2 4.05Å; L149-F161 HydrophobicContact CD1-CE2 3.57Å; L149-F161 HydrophobicContact CD1-CZ 3.96Å; L149-F161 HydrophobicContact CD2-CD1 4.41Å; L149-F161 HydrophobicContact CD2-CD2 4.08Å; L149-F161 HydrophobicContact CD2-CE2 4.29Å; L149-F161 HydrophobicContact CD2-CG 4.15Å; V153-F161 HydrophobicContact CG1-CZ 4.13Å; F157-F161 HydrophobicContact CB-CE1 3.66Å; F157-F161 HydrophobicContact CB-CZ 3.56Å; F157-F161 HydrophobicContact CD1-CE1 4.37Å; F157-F161 AromaticContact CD2-CE1 3.87Å; F157-F161 HydrophobicContact CD2-CE1 3.87Å; F157-F161 HydrophobicContact CD2-CZ 4.12Å; F157-F161 AromaticContact CG-CE1 3.73Å; F157-F161 HydrophobicContact CG-CE1 3.73Å; F157-F161 HydrophobicContact CG-CZ 4.05Å; F161-F163 HydrophobicContact CB-CE2 3.95Å; F161-F163 HydrophobicContact CB-CZ 3.97Å; F161-V204 HydrophobicContact CB-CG2 3.71Å; F161-V204 HydrophobicContact CD1-CG2 4.05Å; F161-V204 HydrophobicContact CG-CG2 4.12Å; F161-P206 HydrophobicContact CD1-CB 4.43Å |
| 162 | D | 96.5 | Very high | 92.9 | Very high | 46 Ų | 46 | 54.5 Ų | 54.5 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.9 | 165.4 | -73.2 | -47.4 | 0 | 0 | 0 | 108.4 | R183 V204 N205 W214 | D162-R183 WeakPolarHBondContact OD1-CG 3.5Å; D162-R183 IonicContact OD1-CZ 3.8Å; D162-R183 IonicContact OD1-NE 2.7Å; D162-R183 PolarHBondContact OD1-NE 3.04Å; D162-R183 IonicContact OD1-NH2 2.94Å; D162-R183 PolarHBondContact OD1-NH2 2.81Å; D162-R183 VanDerWaalsContact OD1-NH2 3.14Å; D162-R183 IonicContact OD2-NH2 2.76Å; D162-R183 PolarHBondContact OD2-NH2 3.24Å; D162-V204 WeakPolarHBondContact O-CA 3.35Å; D162-N205 PolarHBondContact N-O 3.07Å; D162-N205 PolarHBondContact O-N 3.34Å; D162-W214 HydrophobicContact CB-CH2 4.2Å; D162-W214 VanDerWaalsContact O-CZ3 3.28Å; D162-W214 WeakPolarHBondContact O-CZ3 3.34Å |
| 163 | F | 97.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 146.2 | 175.2 | -62.5 | -80.6 | 0 | 0 | 0 | 111 | W147 L149 F161 S181 T182 E184 Q185 V202 R203 V204 | W147-F163 AromaticContact CD1-CD1 3.75Å; W147-F163 AromaticContact CD1-CE1 3.69Å; W147-F163 HydrophobicContact CZ2-CB 4.09Å; W147-F163 HydrophobicContact CZ2-CG 4.3Å; W147-F163 AromaticContact NE1-CD1 3.17Å; W147-F163 AromaticContact NE1-CD2 3.76Å; W147-F163 AromaticContact NE1-CE1 3.46Å; W147-F163 AromaticContact NE1-CG 3.33Å; W147-F163 VanDerWaalsContact NE1-CG 3.33Å; W147-F163 AromaticContact NE1-CZ 3.88Å; L149-F163 HydrophobicContact CD2-CE1 3.85Å; L149-F163 HydrophobicContact CD2-CZ 3.76Å; F161-F163 HydrophobicContact CB-CE2 3.95Å; F161-F163 HydrophobicContact CB-CZ 3.97Å; F163-S181 WeakPolarHBondContact O-CA 3.33Å; F163-T182 WeakPolarHBondContact CA-O 3.34Å; F163-T182 HydrophobicContact CB-CG2 4.3Å; F163-T182 WeakPolarHBondContact CB-O 3.48Å; F163-T182 PolarHBondContact N-O 3Å; F163-T182 PolarHBondContact O-N 2.66Å; F163-E184 WeakPolarHBondContact CD2-O 3.48Å; F163-Q185 HydrophobicContact CE2-CG 3.64Å; F163-Q185 HydrophobicContact CZ-CG 3.6Å; F163-V202 HydrophobicContact CB-CG2 4.24Å; F163-V202 HydrophobicContact CD1-CG2 4.37Å; F163-R203 WeakPolarHBondContact CA-O 3.26Å; F163-V204 HydrophobicContact CD1-CB 3.82Å; F163-V204 HydrophobicContact CD1-CG2 3.73Å; F163-V204 HydrophobicContact CE1-CB 3.81Å; F163-V204 HydrophobicContact CE1-CG2 3.46Å; F163-V204 VanDerWaalsContact CE1-CG2 3.46Å; F163-V204 HydrophobicContact CZ-CG2 4.07Å |
| 164 | Q | 97.8 | Very high | 93 | Very high | 29 Ų | 29 | 58 Ų | 58 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 111.5 | 168.1 | -179.7 | 169.5 | 79.8 | 0 | 0 | 109.7 | I180 V202 R203 W214 W217 | Q164-I180 WeakPolarHBondContact CA-O 3.37Å; Q164-V202 WeakPolarHBondContact O-CA 3.39Å; Q164-V202 WeakPolarHBondContact O-CG2 3.24Å; Q164-R203 HydrophobicContact CB-CG 4.12Å; Q164-R203 PolarHBondContact N-O 2.97Å; Q164-R203 PolarHBondContact O-N 2.83Å; Q164-W214 HydrophobicContact CB-CE3 4.36Å; Q164-W214 HydrophobicContact CB-CH2 3.78Å; Q164-W214 HydrophobicContact CB-CZ2 4.44Å; Q164-W214 HydrophobicContact CB-CZ3 3.72Å; Q164-W217 HydrophobicContact CG-CH2 4.19Å; Q164-W217 WeakPolarHBondContact O-CZ3 3.46Å |
| 165 | L | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.8 | 173.6 | -178.6 | 70 | 0 | 0 | 0 | 109.5 | I145 W147 I167 N179 I180 L187 A200 V202 | I145-L165 HydrophobicContact CD1-CD2 4.42Å; I145-L165 HydrophobicContact CG2-CD1 4.22Å; I145-L165 HydrophobicContact CG2-CD2 4.25Å; W147-L165 HydrophobicContact CE3-CD1 4.41Å; W147-L165 HydrophobicContact CH2-CB 4.43Å; W147-L165 HydrophobicContact CH2-CD2 4.21Å; W147-L165 HydrophobicContact CZ3-CD1 4.11Å; W147-L165 HydrophobicContact CZ3-CD2 3.95Å; W147-L165 HydrophobicContact CZ3-CG 4.47Å; L165-I167 HydrophobicContact CD2-CD1 3.94Å; L165-I167 HydrophobicContact CD2-CG1 4.06Å; L165-I167 HydrophobicContact CG-CG1 4.08Å; L165-N179 CarbonylContact O-C 3.57Å; L165-I180 HydrophobicContact CB-CB 4.46Å; L165-I180 PolarHBondContact N-O 3.48Å; L165-I180 PolarHBondContact O-N 3.29Å; L165-L187 HydrophobicContact CD2-CB 4.23Å; L165-L187 HydrophobicContact CD2-CD2 3.65Å; L165-A200 HydrophobicContact CD1-CB 4.28Å; L165-V202 HydrophobicContact CB-CG2 4.37Å; L165-V202 HydrophobicContact CD1-CB 4Å; L165-V202 HydrophobicContact CD1-CG2 4.44Å |
| 166 | Q | 96.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 64.7 Ų | 64.7 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.8 | 166.7 | -76.4 | -168.2 | -35.2 | 0 | 0 | 109.9 | W174 S177 N179 A200 R201 W217 | Q166-W174 HydrophobicContact CB-CE3 4.14Å; Q166-W174 HydrophobicContact CB-CZ3 3.94Å; Q166-S177 PolarHBondContact NE2-OG 3.06Å; Q166-N179 VanDerWaalsContact CG-OD1 3.3Å; Q166-N179 WeakPolarHBondContact CG-OD1 3.31Å; Q166-N179 PolarHBondContact NE2-OD1 3.31Å; Q166-A200 WeakPolarHBondContact O-CA 3.42Å; Q166-A200 VanDerWaalsContact O-CB 3.31Å; Q166-A200 WeakPolarHBondContact O-CB 3.47Å; Q166-R201 HydrophobicContact CB-CG 4.15Å; Q166-R201 PolarHBondContact N-O 2.93Å; Q166-R201 PolarHBondContact O-N 2.92Å; Q166-R201 VanDerWaalsContact O-N 3.11Å; Q166-R201 VanDerWaalsContact OE1-CZ 3.29Å; Q166-W217 HydrophobicContact CB-CH2 4.4Å; Q166-W217 HydrophobicContact CB-CZ3 4.22Å; Q166-W217 HydrophobicContact CG-CH2 3.45Å; Q166-W217 VanDerWaalsContact CG-CH2 3.45Å; Q166-W217 HydrophobicContact CG-CZ2 4.23Å; Q166-W217 HydrophobicContact CG-CZ3 3.73Å |
| 167 | I | 95.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132 | 171.7 | -49.6 | 175.3 | 0 | 0 | 0 | 108.8 | I145 L165 R178 I180 L187 L194 L198 D199 A200 W223 | I145-I167 HydrophobicContact CD1-CD1 3.68Å; I145-I167 HydrophobicContact CD1-CG1 4.46Å; L165-I167 HydrophobicContact CD2-CD1 3.94Å; L165-I167 HydrophobicContact CD2-CG1 4.06Å; L165-I167 HydrophobicContact CG-CG1 4.08Å; I167-R178 PolarHBondContact N-O 2.94Å; I167-R178 PolarHBondContact O-N 3.48Å; I167-I180 HydrophobicContact CD1-CD1 4.12Å; I167-L187 HydrophobicContact CD1-CD2 4.3Å; I167-L194 HydrophobicContact CD1-CD2 4.31Å; I167-L194 HydrophobicContact CG2-CD2 4.41Å; I167-L198 HydrophobicContact CG2-CD2 4.5Å; I167-D199 WeakPolarHBondContact CA-O 3.3Å; I167-A200 HydrophobicContact CG1-CB 4.11Å; I167-W223 HydrophobicContact CG2-CH2 3.99Å; I167-W223 HydrophobicContact CG2-CZ2 4.45Å |
| 168 | K | 94.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 66.8 Ų | 66.8 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 163 | 173.2 | 66 | 173.2 | -164.5 | 72.5 | 0 | 111.6 | R170 Q172 W174 L198 D199 | K168-R170 PolarHBondContact NZ-O 3.43Å; K168-Q172 HydrophobicContact CB-CB 4.24Å; K168-Q172 WeakPolarHBondContact CD-O 3.39Å; K168-Q172 WeakPolarHBondContact CE-O 3.49Å; K168-Q172 PolarHBondContact NZ-O 3.39Å; K168-W174 HydrophobicContact CD-CD2 3.66Å; K168-W174 HydrophobicContact CD-CE3 3.63Å; K168-W174 HydrophobicContact CD-CG 4.23Å; K168-W174 HydrophobicContact CD-CH2 4.13Å; K168-W174 HydrophobicContact CD-CZ2 4.19Å; K168-W174 HydrophobicContact CD-CZ3 3.86Å; K168-W174 VanDerWaalsContact CE-CE2 3.42Å; K168-W174 HydrophobicContact CG-CE3 4.02Å; K168-W174 HydrophobicContact CG-CH2 4.08Å; K168-W174 HydrophobicContact CG-CZ3 3.78Å; K168-L198 CarbonylContact O-C 3.45Å; K168-L198 VanDerWaalsContact O-CA 3.27Å; K168-L198 WeakPolarHBondContact O-CA 3.13Å; K168-L198 WeakPolarHBondContact O-CD2 3.36Å; K168-D199 WeakPolarHBondContact CE-OD2 3.19Å; K168-D199 HydrophobicContact CG-CB 4.1Å; K168-D199 PolarHBondContact N-O 2.79Å; K168-D199 IonicContact NZ-OD2 3.16Å; K168-D199 PolarHBondContact NZ-OD2 2.66Å; K168-D199 PolarHBondContact O-N 3.36Å |
| 169 | Q | 93.3 | Very high | 93.7 | Very high | 94 Ų | 94 | 65.3 Ų | 65.3 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 151.3 | 160.2 | -60.2 | -179.9 | 1.2 | 0 | 0 | 110.1 | Q171 Q172 R197 L198 | Q169-Q171 PolarHBondContact O-N 3.29Å; Q169-Q172 HydrophobicContact CB-CB 4.47Å; Q169-Q172 HydrophobicContact CB-CG 4.01Å; Q169-Q172 WeakPolarHBondContact O-CB 3.36Å; Q169-Q172 PolarHBondContact O-N 3.49Å; Q169-R197 CarbonylContact C-O 3.59Å; Q169-R197 WeakPolarHBondContact CA-O 3.1Å; Q169-L198 HydrophobicContact CG-CD2 4.01Å |
| 170 | R | 89.9 | Confident | 93.9 | Very high | 124 Ų | 124 | 63.1 Ų | 63.1 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -37.4 | -175.6 | -174.9 | 173.4 | -77.3 | -179.4 | -9.9 | 113.1 | K168 R197 D199 S222 | K168-R170 PolarHBondContact NZ-O 3.43Å; R170-R197 HydrophobicContact CB-CB 4.26Å; R170-R197 PolarHBondContact N-O 2.83Å; R170-D199 WeakPolarHBondContact CA-OD2 3.45Å; R170-D199 IonicContact NE-OD1 2.74Å; R170-D199 PolarHBondContact NE-OD1 2.68Å; R170-S222 PolarHBondContact NH2-OG 2.72Å |
| 171 | Q | 88.5 | Confident | 94 | Very high | 145 Ų | 145 | 66 Ų | 66 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.4 | 179.3 | -61.9 | 84 | -13.5 | 0 | 0 | 114.2 | Q169 | Q169-Q171 PolarHBondContact O-N 3.29Š|
| 172 | Q | 92.1 | Very high | 94 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -80.2 | 156.1 | 178.1 | -72.9 | 170.6 | -27.5 | 0 | 0 | 111.6 | K168 Q169 | K168-Q172 HydrophobicContact CB-CB 4.24Å; K168-Q172 WeakPolarHBondContact CD-O 3.39Å; K168-Q172 WeakPolarHBondContact CE-O 3.49Å; K168-Q172 PolarHBondContact NZ-O 3.39Å; Q169-Q172 HydrophobicContact CB-CB 4.47Å; Q169-Q172 HydrophobicContact CB-CG 4.01Å; Q169-Q172 WeakPolarHBondContact O-CB 3.36Å; Q169-Q172 PolarHBondContact O-N 3.49Å |
| 173 | Q | 92.9 | Very high | 93.9 | Very high | 126 Ų | 126 | 71.5 Ų | 71.5 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | trans | -84 | 153 | 170.7 | -66.6 | -67.7 | -12.2 | 0 | 0 | 110.9 | K175 D176 | Q173-K175 HydrophobicContact CB-CG 3.86Å; Q173-K175 PolarHBondContact O-N 3.38Å; Q173-D176 PolarHBondContact O-N 3.35Å | ||
| 174 | W | 93.4 | Very high | 93.8 | Very high | 61 Ų | 61 | 77.3 Ų | 77.3 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -63.1 | -25 | 179.9 | -71.6 | 112 | 0 | 0 | 0 | 114.2 | Q166 K168 D176 S177 D199 R201 T220 | Q166-W174 HydrophobicContact CB-CE3 4.14Å; Q166-W174 HydrophobicContact CB-CZ3 3.94Å; K168-W174 HydrophobicContact CD-CD2 3.66Å; K168-W174 HydrophobicContact CD-CE3 3.63Å; K168-W174 HydrophobicContact CD-CG 4.23Å; K168-W174 HydrophobicContact CD-CH2 4.13Å; K168-W174 HydrophobicContact CD-CZ2 4.19Å; K168-W174 HydrophobicContact CD-CZ3 3.86Å; K168-W174 VanDerWaalsContact CE-CE2 3.42Å; K168-W174 HydrophobicContact CG-CE3 4.02Å; K168-W174 HydrophobicContact CG-CH2 4.08Å; K168-W174 HydrophobicContact CG-CZ3 3.78Å; W174-D176 PolarHBondContact O-N 2.97Å; W174-S177 WeakPolarHBondContact O-CB 3.33Å; W174-S177 PolarHBondContact O-N 3.31Å; W174-S177 PolarHBondContact O-OG 3.4Å; W174-D199 HydrophobicContact CH2-CB 4Å; W174-D199 HydrophobicContact CZ2-CB 4.35Å; W174-R201 VanDerWaalsContact CD2-CZ 3.46Å; W174-R201 HydrophobicContact CE3-CG 4.33Å; W174-R201 HydrophobicContact CH2-CB 4.36Å; W174-R201 HydrophobicContact CH2-CG 3.7Å; W174-R201 HydrophobicContact CZ2-CG 4.31Å; W174-R201 HydrophobicContact CZ3-CG 3.71Å; W174-T220 HydrophobicContact CH2-CG2 3.96Å; W174-T220 HydrophobicContact CZ2-CG2 3.83Å |
| 175 | K | 91.6 | Very high | 93.7 | Very high | 176 Ų | 176 | 80.2 Ų | 80.2 | 77% | 0.765 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -65 | -26.7 | 174.1 | 57.4 | 150.5 | -166.5 | 156.4 | 0 | 113.4 | Q173 | Q173-K175 HydrophobicContact CB-CG 3.86Å; Q173-K175 PolarHBondContact O-N 3.38Å |
| 176 | D | 91.1 | Very high | 93.6 | Very high | 88 Ų | 88 | 83 Ų | 83 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -102.5 | 14.9 | -178.2 | -41.2 | -58 | 0 | 0 | 0 | 111.1 | Q173 W174 | Q173-D176 PolarHBondContact O-N 3.35Å; W174-D176 PolarHBondContact O-N 2.97Å |
| 177 | S | 92.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 83.6 Ų | 83.6 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -80.8 | 153.6 | -177.1 | 70 | 0 | 0 | 0 | 0 | 113 | Q166 W174 N179 | Q166-S177 PolarHBondContact NE2-OG 3.06Å; W174-S177 WeakPolarHBondContact O-CB 3.33Å; W174-S177 PolarHBondContact O-N 3.31Å; W174-S177 PolarHBondContact O-OG 3.4Å; S177-N179 PolarHBondContact O-N 2.98Å |
| 178 | R | 92.3 | Very high | 93.4 | Very high | 133 Ų | 133 | 90 Ų | 90 | 50% | 0.502 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 107.4 | 173.6 | -176.2 | 179.6 | 175.1 | -149.1 | -7.1 | 109.3 | I167 I180 | I167-R178 PolarHBondContact N-O 2.94Å; I167-R178 PolarHBondContact O-N 3.48Å; R178-I180 HydrophobicContact CG-CG1 4.22Å |
| 179 | N | 94.5 | Very high | 93.3 | Very high | 91 Ų | 91 | 90.3 Ų | 90.3 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.7 | 168.9 | -58.3 | -34.1 | 0 | 0 | 0 | 110.1 | L165 Q166 S177 | L165-N179 CarbonylContact O-C 3.57Å; Q166-N179 VanDerWaalsContact CG-OD1 3.3Å; Q166-N179 WeakPolarHBondContact CG-OD1 3.31Å; Q166-N179 PolarHBondContact NE2-OD1 3.31Å; S177-N179 PolarHBondContact O-N 2.98Å |
| 180 | I | 95.1 | Very high | 93 | Very high | 26 Ų | 26 | 91.5 Ų | 91.5 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 122.2 | 172 | -56.5 | 175.5 | 0 | 0 | 0 | 107.2 | Q164 L165 I167 R178 L187 | Q164-I180 WeakPolarHBondContact CA-O 3.37Å; L165-I180 HydrophobicContact CB-CB 4.46Å; L165-I180 PolarHBondContact N-O 3.48Å; L165-I180 PolarHBondContact O-N 3.29Å; I167-I180 HydrophobicContact CD1-CD1 4.12Å; R178-I180 HydrophobicContact CG-CG1 4.22Å; I180-L187 HydrophobicContact CD1-CD2 3.49Å; I180-L187 VanDerWaalsContact CD1-CD2 3.49Å |
| 181 | S | 95.6 | Very high | 92.3 | Very high | 89 Ų | 89 | 87.7 Ų | 87.7 | 62% | 0.622 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.2 | 172.7 | -57.5 | 0 | 0 | 0 | 0 | 109.7 | F163 | F163-S181 WeakPolarHBondContact O-CA 3.33Å |
| 182 | T | 95.6 | Very high | 91.4 | Very high | 33 Ų | 33 | 82.8 Ų | 82.8 | 20% | 0.202 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 163.4 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | W147 F163 E184 | W147-T182 HydrophobicContact CH2-CG2 4.01Å; W147-T182 HydrophobicContact CZ2-CG2 3.75Å; F163-T182 WeakPolarHBondContact CA-O 3.34Å; F163-T182 HydrophobicContact CB-CG2 4.3Å; F163-T182 WeakPolarHBondContact CB-O 3.48Å; F163-T182 PolarHBondContact N-O 3Å; F163-T182 PolarHBondContact O-N 2.66Å; T182-E184 WeakPolarHBondContact CG2-O 3.47Å; T182-E184 PolarHBondContact OG1-N 3.4Å; T182-E184 VanDerWaalsContact OG1-N 3.11Å |
| 183 | R | 95.1 | Very high | 91 | Very high | 160 Ų | 160 | 84.6 Ų | 84.6 | 60% | 0.604 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -102.1 | -11.3 | 168 | -67.7 | -173.5 | 170.2 | 175.5 | -4.6 | 113 | D162 | D162-R183 WeakPolarHBondContact OD1-CG 3.5Å; D162-R183 IonicContact OD1-CZ 3.8Å; D162-R183 IonicContact OD1-NE 2.7Å; D162-R183 PolarHBondContact OD1-NE 3.04Å; D162-R183 IonicContact OD1-NH2 2.94Å; D162-R183 PolarHBondContact OD1-NH2 2.81Å; D162-R183 VanDerWaalsContact OD1-NH2 3.14Å; D162-R183 IonicContact OD2-NH2 2.76Å; D162-R183 PolarHBondContact OD2-NH2 3.24Å |
| 184 | E | 95 | Very high | 90.6 | Very high | 124 Ų | 124 | 80 Ų | 80 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -75.1 | 148.4 | 175.1 | -65.4 | 169.9 | -170.2 | 0 | 0 | 110.1 | W147 F163 T182 E186 | W147-E184 WeakPolarHBondContact CZ2-O 3.32Å; F163-E184 WeakPolarHBondContact CD2-O 3.48Å; T182-E184 WeakPolarHBondContact CG2-O 3.47Å; T182-E184 PolarHBondContact OG1-N 3.4Å; T182-E184 VanDerWaalsContact OG1-N 3.11Å; E184-E186 WeakPolarHBondContact CB-O 3.45Å; E184-E186 PolarHBondContact O-N 3.44Å |
| 185 | Q | 95.2 | Very high | 90 | Very high | 90 Ų | 90 | 84.6 Ų | 84.6 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -84.6 | 8 | 172.5 | -78.3 | -173.9 | -111.8 | 0 | 0 | 113.3 | S146 W147 F163 | S146-Q185 CarbonylContact C-O 3.55Å; S146-Q185 WeakPolarHBondContact CA-O 3.43Å; W147-Q185 PolarHBondContact N-O 3Å; W147-Q185 PolarHBondContact O-NE2 3.32Å; F163-Q185 HydrophobicContact CE2-CG 3.64Å; F163-Q185 HydrophobicContact CZ-CG 3.6Å |
| 186 | E | 95.8 | Very high | 89.7 | Confident | 57 Ų | 57 | 78.3 Ų | 78.3 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 162 | 170.4 | 59.3 | 171 | -149.7 | 0 | 0 | 111.7 | V144 I145 E184 R188 | V144-E186 HydrophobicContact CG1-CB 4.05Å; V144-E186 WeakPolarHBondContact CG1-OE2 3.47Å; I145-E186 CarbonylContact O-C 3.53Å; I145-E186 WeakPolarHBondContact O-CA 3.44Å; E184-E186 WeakPolarHBondContact CB-O 3.45Å; E184-E186 PolarHBondContact O-N 3.44Å; E186-R188 VanDerWaalsContact CD-NH2 3.27Å; E186-R188 IonicContact OE1-CZ 2.69Å; E186-R188 IonicContact OE1-NE 3.48Å; E186-R188 PolarHBondContact OE1-NE 2.96Å; E186-R188 IonicContact OE1-NH2 3.98Å; E186-R188 PolarHBondContact OE1-NH2 2.97Å; E186-R188 IonicContact OE2-CZ 3.94Å; E186-R188 IonicContact OE2-NE 2.78Å; E186-R188 IonicContact OE2-NH2 3.15Å; E186-R188 PolarHBondContact OE2-NH2 3.36Å |
| 187 | L | 94.9 | Very high | 89.7 | Confident | 31 Ų | 31 | 81 Ų | 81 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115.5 | 166.3 | 173.2 | 66 | 0 | 0 | 0 | 107.7 | I145 W147 L165 I167 I180 | I145-L187 PolarHBondContact N-O 3.44Å; I145-L187 PolarHBondContact O-N 3.46Å; W147-L187 HydrophobicContact CH2-CB 4.26Å; W147-L187 HydrophobicContact CZ3-CB 4.35Å; L165-L187 HydrophobicContact CD2-CB 4.23Å; L165-L187 HydrophobicContact CD2-CD2 3.65Å; I167-L187 HydrophobicContact CD1-CD2 4.3Å; I180-L187 HydrophobicContact CD1-CD2 3.49Å; I180-L187 VanDerWaalsContact CD1-CD2 3.49Å |
| 188 | R | 93.5 | Very high | 89.8 | Confident | 140 Ų | 140 | 80.8 Ų | 80.8 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 145.4 | 168 | -58.6 | -166.5 | 178.1 | -105.4 | -21.6 | 110.1 | V144 E186 | V144-R188 HydrophobicContact CG2-CG 4.34Å; E186-R188 VanDerWaalsContact CD-NH2 3.27Å; E186-R188 IonicContact OE1-CZ 2.69Å; E186-R188 IonicContact OE1-NE 3.48Å; E186-R188 PolarHBondContact OE1-NE 2.96Å; E186-R188 IonicContact OE1-NH2 3.98Å; E186-R188 PolarHBondContact OE1-NH2 2.97Å; E186-R188 IonicContact OE2-CZ 3.94Å; E186-R188 IonicContact OE2-NE 2.78Å; E186-R188 IonicContact OE2-NH2 3.15Å; E186-R188 PolarHBondContact OE2-NH2 3.36Å |
| 189 | T | 90.9 | Very high | 90 | Very high | 19 Ų | 19 | 75 Ų | 75 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 139.2 | -178.9 | -81.4 | 0 | 0 | 0 | 0 | 110.2 | F142 T143 K193 L194 | F142-T189 CarbonylContact C-O 3.49Å; F142-T189 WeakPolarHBondContact CA-O 3.13Å; T143-T189 PolarHBondContact N-O 2.94Å; T143-T189 PolarHBondContact O-N 3.41Å; T189-K193 HydrophobicContact CG2-CB 3.64Å; T189-K193 HydrophobicContact CG2-CD 3.78Å; T189-K193 HydrophobicContact CG2-CG 4.11Å; T189-L194 HydrophobicContact CG2-CD1 3.8Å; T189-L194 HydrophobicContact CG2-CG 3.88Å |
| 190 | E | 87.7 | Confident | 90.1 | Very high | 119 Ų | 119 | 70.7 Ų | 70.7 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 142.2 | 177.2 | -62.7 | 130.7 | -149.6 | 0 | 0 | 112.4 | G192 K193 | E190-G192 PolarHBondContact O-N 3.22Å; E190-K193 HydrophobicContact CB-CB 4.45Å; E190-K193 VanDerWaalsContact CD-NZ 3.31Å; E190-K193 WeakPolarHBondContact O-CB 3.13Å; E190-K193 PolarHBondContact O-N 3.21Å; E190-K193 VanDerWaalsContact O-N 3.16Å; E190-K193 IonicContact OE1-NZ 3.45Å; E190-K193 PolarHBondContact OE1-NZ 2.81Å; E190-K193 VanDerWaalsContact OE1-NZ 3.16Å; E190-K193 IonicContact OE2-NZ 2.71Å; E190-K193 PolarHBondContact OE2-NZ 3.22Å |
| 191 | A | 75.1 | Confident | 90.2 | Very high | 44 Ų | 44 | 71.4 Ų | 71.4 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 136.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | A140 N141 K193 | A140-A191 WeakPolarHBondContact O-CB 3.49Å; N141-A191 VanDerWaalsContact C-CB 3.46Å; N141-A191 PolarHBondContact O-N 2.92Å; A191-K193 VanDerWaalsContact C-N 3.28Å; A191-K193 PolarHBondContact O-N 3.15Å |
| 192 | G | 70 | Confident | 90.3 | Very high | 42 Ų | 42 | 67.2 Ų | 67.2 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -2.3 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | E190 L194 K195 | E190-G192 PolarHBondContact O-N 3.22Å; G192-L194 VanDerWaalsContact C-N 3.29Å; G192-K195 WeakPolarHBondContact O-CE 3.25Å; G192-K195 VanDerWaalsContact O-CG 3.31Å; G192-K195 WeakPolarHBondContact O-CG 3.4Å |
| 193 | K | 83.1 | Confident | 90.4 | Very high | 114 Ų | 114 | 68.4 Ų | 68.4 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -75.2 | -23.2 | 167.2 | -161.3 | 176.1 | -146.3 | 143 | 0 | 112.2 | T189 E190 A191 | T189-K193 HydrophobicContact CG2-CB 3.64Å; T189-K193 HydrophobicContact CG2-CD 3.78Å; T189-K193 HydrophobicContact CG2-CG 4.11Å; E190-K193 HydrophobicContact CB-CB 4.45Å; E190-K193 VanDerWaalsContact CD-NZ 3.31Å; E190-K193 WeakPolarHBondContact O-CB 3.13Å; E190-K193 PolarHBondContact O-N 3.21Å; E190-K193 VanDerWaalsContact O-N 3.16Å; E190-K193 IonicContact OE1-NZ 3.45Å; E190-K193 PolarHBondContact OE1-NZ 2.81Å; E190-K193 VanDerWaalsContact OE1-NZ 3.16Å; E190-K193 IonicContact OE2-NZ 2.71Å; E190-K193 PolarHBondContact OE2-NZ 3.22Å; A191-K193 VanDerWaalsContact C-N 3.28Å; A191-K193 PolarHBondContact O-N 3.15Å |
| 194 | L | 84.5 | Confident | 90.5 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -116 | 101.1 | 175.6 | -66.3 | 172.1 | 0 | 0 | 0 | 108.5 | T143 I145 I167 T189 G192 L198 W223 | T143-L194 HydrophobicContact CG2-CD1 4.38Å; I145-L194 HydrophobicContact CD1-CD1 4.07Å; I167-L194 HydrophobicContact CD1-CD2 4.31Å; I167-L194 HydrophobicContact CG2-CD2 4.41Å; T189-L194 HydrophobicContact CG2-CD1 3.8Å; T189-L194 HydrophobicContact CG2-CG 3.88Å; G192-L194 VanDerWaalsContact C-N 3.29Å; L194-L198 HydrophobicContact CB-CD1 3.69Å; L194-L198 HydrophobicContact CD2-CD1 4.16Å; L194-L198 HydrophobicContact CG-CD1 4.45Å; L194-W223 HydrophobicContact CD1-CZ2 4.36Å |
| 195 | K | 81.5 | Confident | 90.6 | Very high | 158 Ų | 158 | 56.1 Ų | 56.1 | 69% | 0.687 | 28% | 0.277 | S | S | * | . | trans | -117.6 | 155.5 | -177.2 | -64.6 | -173.4 | -179.3 | -176 | 0 | 112.1 | G192 | G192-K195 WeakPolarHBondContact O-CE 3.25Å; G192-K195 VanDerWaalsContact O-CG 3.31Å; G192-K195 WeakPolarHBondContact O-CG 3.4Å | ||
| 196 | G | 85.3 | Confident | 90.6 | Very high | 44 Ų | 44 | 52 Ų | 52 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 86.7 | -161.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G224 | G196-G224 WeakPolarHBondContact O-CA 3.12Š|
| 197 | R | 91.5 | Very high | 90.4 | Very high | 144 Ų | 144 | 50.4 Ų | 50.4 | 54% | 0.543 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 114.3 | 174.2 | -66.5 | 179.8 | -178.7 | 172 | 0.4 | 108.9 | Q169 R170 | Q169-R197 CarbonylContact C-O 3.59Å; Q169-R197 WeakPolarHBondContact CA-O 3.1Å; R170-R197 HydrophobicContact CB-CB 4.26Å; R170-R197 PolarHBondContact N-O 2.83Å |
| 198 | L | 93.7 | Very high | 90 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 149.9 | -173.4 | -62.4 | 173.7 | 0 | 0 | 0 | 110.8 | I167 K168 Q169 L194 S222 W223 | I167-L198 HydrophobicContact CG2-CD2 4.5Å; K168-L198 CarbonylContact O-C 3.45Å; K168-L198 VanDerWaalsContact O-CA 3.27Å; K168-L198 WeakPolarHBondContact O-CA 3.13Å; K168-L198 WeakPolarHBondContact O-CD2 3.36Å; Q169-L198 HydrophobicContact CG-CD2 4.01Å; L194-L198 HydrophobicContact CB-CD1 3.69Å; L194-L198 HydrophobicContact CD2-CD1 4.16Å; L194-L198 HydrophobicContact CG-CD1 4.45Å; L198-S222 CarbonylContact O-C 3.58Å; L198-S222 WeakPolarHBondContact O-CA 3.41Å; L198-S222 WeakPolarHBondContact O-CB 3.18Å; L198-W223 HydrophobicContact CB-CD2 4.12Å; L198-W223 HydrophobicContact CB-CE3 4.29Å; L198-W223 HydrophobicContact CB-CH2 3.96Å; L198-W223 HydrophobicContact CB-CZ2 3.76Å; L198-W223 HydrophobicContact CB-CZ3 4.21Å; L198-W223 HydrophobicContact CD1-CH2 4.45Å; L198-W223 HydrophobicContact CD1-CZ2 3.61Å; L198-W223 HydrophobicContact CG-CZ2 4.35Å; L198-W223 PolarHBondContact N-O 3.29Å; L198-W223 PolarHBondContact O-N 3.4Å |
| 199 | D | 95.9 | Very high | 89.6 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 138.9 | 169.5 | -55.9 | -31.6 | 0 | 0 | 0 | 108.2 | I167 K168 R170 W174 T220 T221 S222 | I167-D199 WeakPolarHBondContact CA-O 3.3Å; K168-D199 WeakPolarHBondContact CE-OD2 3.19Å; K168-D199 HydrophobicContact CG-CB 4.1Å; K168-D199 PolarHBondContact N-O 2.79Å; K168-D199 IonicContact NZ-OD2 3.16Å; K168-D199 PolarHBondContact NZ-OD2 2.66Å; K168-D199 PolarHBondContact O-N 3.36Å; R170-D199 WeakPolarHBondContact CA-OD2 3.45Å; R170-D199 IonicContact NE-OD1 2.74Å; R170-D199 PolarHBondContact NE-OD1 2.68Å; W174-D199 HydrophobicContact CH2-CB 4Å; W174-D199 HydrophobicContact CZ2-CB 4.35Å; D199-T220 HydrophobicContact CB-CG2 3.77Å; D199-T221 CarbonylContact C-O 3.41Å; D199-T221 WeakPolarHBondContact CA-O 3.47Å; D199-S222 WeakPolarHBondContact OD1-CB 3.36Å; D199-S222 PolarHBondContact OD1-OG 3.06Å |
| 200 | A | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L165 Q166 I167 T220 T221 W223 | L165-A200 HydrophobicContact CD1-CB 4.28Å; Q166-A200 WeakPolarHBondContact O-CA 3.42Å; Q166-A200 VanDerWaalsContact O-CB 3.31Å; Q166-A200 WeakPolarHBondContact O-CB 3.47Å; I167-A200 HydrophobicContact CG1-CB 4.11Å; A200-T220 CarbonylContact O-C 3.53Å; A200-T220 WeakPolarHBondContact O-CA 3.32Å; A200-T221 PolarHBondContact N-O 2.74Å; A200-T221 PolarHBondContact O-N 2.78Å; A200-W223 HydrophobicContact CB-CH2 3.71Å; A200-W223 HydrophobicContact CB-CZ3 3.5Å |
| 201 | R | 97.9 | Very high | 89 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 152.2 | 176 | 62.6 | -175.1 | -169.7 | 173 | 2.6 | 109.2 | Q166 W174 W217 S218 | Q166-R201 HydrophobicContact CB-CG 4.15Å; Q166-R201 PolarHBondContact N-O 2.93Å; Q166-R201 PolarHBondContact O-N 2.92Å; Q166-R201 VanDerWaalsContact O-N 3.11Å; Q166-R201 VanDerWaalsContact OE1-CZ 3.29Å; W174-R201 VanDerWaalsContact CD2-CZ 3.46Å; W174-R201 HydrophobicContact CE3-CG 4.33Å; W174-R201 HydrophobicContact CH2-CB 4.36Å; W174-R201 HydrophobicContact CH2-CG 3.7Å; W174-R201 HydrophobicContact CZ2-CG 4.31Å; W174-R201 HydrophobicContact CZ3-CG 3.71Å; R201-W217 HydrophobicContact CB-CE3 4.37Å; R201-W217 HydrophobicContact CG-CB 4.45Å; R201-W217 HydrophobicContact CG-CD2 4.11Å; R201-W217 HydrophobicContact CG-CE3 3.66Å; R201-W217 HydrophobicContact CG-CG 4.46Å; R201-W217 HydrophobicContact CG-CZ3 4.29Å; R201-S218 WeakPolarHBondContact CA-OG 3.44Å |
| 202 | V | 98.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155 | -176.9 | 67.9 | 0 | 0 | 0 | 0 | 110.5 | P131 P134 W147 F163 Q164 L165 S218 | P131-V202 HydrophobicContact CB-CG1 3.67Å; P131-V202 HydrophobicContact CG-CG1 4.07Å; P134-V202 HydrophobicContact CG-CB 4.45Å; P134-V202 HydrophobicContact CG-CG1 4.02Å; W147-V202 HydrophobicContact CB-CG1 3.86Å; W147-V202 HydrophobicContact CD2-CB 4.38Å; W147-V202 HydrophobicContact CD2-CG1 4.15Å; W147-V202 HydrophobicContact CD2-CG2 3.97Å; W147-V202 HydrophobicContact CG-CB 4.47Å; W147-V202 HydrophobicContact CG-CG1 3.76Å; W147-V202 HydrophobicContact CG-CG2 4.22Å; W147-V202 HydrophobicContact CZ2-CG2 4.25Å; F163-V202 HydrophobicContact CB-CG2 4.24Å; F163-V202 HydrophobicContact CD1-CG2 4.37Å; Q164-V202 WeakPolarHBondContact O-CA 3.39Å; Q164-V202 WeakPolarHBondContact O-CG2 3.24Å; L165-V202 HydrophobicContact CB-CG2 4.37Å; L165-V202 HydrophobicContact CD1-CB 4Å; L165-V202 HydrophobicContact CD1-CG2 4.44Å; V202-S218 PolarHBondContact N-OG 3.46Å; V202-S218 WeakPolarHBondContact O-CB 3.49Å; V202-S218 PolarHBondContact O-N 2.97Å; V202-S218 PolarHBondContact O-OG 3.26Å |
| 203 | R | 97.9 | Very high | 90.9 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 22% | 0.223 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 160 | 171.8 | 63.6 | 179.1 | -175.7 | 156.1 | -0.7 | 110.5 | F163 Q164 W214 S215 W217 | F163-R203 WeakPolarHBondContact CA-O 3.26Å; Q164-R203 HydrophobicContact CB-CG 4.12Å; Q164-R203 PolarHBondContact N-O 2.97Å; Q164-R203 PolarHBondContact O-N 2.83Å; R203-W214 HydrophobicContact CG-CD2 4.43Å; R203-W214 HydrophobicContact CG-CE3 3.73Å; R203-W214 HydrophobicContact CG-CZ3 4.31Å; R203-W214 VanDerWaalsContact NH1-CB 3.34Å; R203-S215 WeakPolarHBondContact CA-OG 3.34Å; R203-S215 WeakPolarHBondContact CB-OG 3.3Å; R203-W217 HydrophobicContact CB-CD2 4.35Å; R203-W217 HydrophobicContact CB-CE3 3.9Å; R203-W217 HydrophobicContact CB-CZ3 4.16Å; R203-W217 HydrophobicContact CG-CD2 4.26Å; R203-W217 HydrophobicContact CG-CE3 3.76Å; R203-W217 HydrophobicContact CG-CH2 3.81Å; R203-W217 HydrophobicContact CG-CZ2 4.3Å; R203-W217 HydrophobicContact CG-CZ3 3.54Å; R203-W217 VanDerWaalsContact NE-CZ2 3.35Å |
| 204 | V | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 151.1 | -171.7 | 68 | 0 | 0 | 0 | 0 | 111.9 | M128 P131 L149 F161 D162 F163 S215 | M128-V204 HydrophobicContact CB-CG1 3.88Å; M128-V204 HydrophobicContact CE-CG1 4.12Å; M128-V204 HydrophobicContact CE-CG2 4.46Å; M128-V204 HydrophobicContact SD-CG1 3.94Å; M128-V204 HydrophobicContact SD-CG2 4.12Å; P131-V204 HydrophobicContact CG-CB 4.02Å; P131-V204 HydrophobicContact CG-CG1 3.97Å; L149-V204 HydrophobicContact CD2-CG2 4.02Å; F161-V204 HydrophobicContact CB-CG2 3.71Å; F161-V204 HydrophobicContact CD1-CG2 4.05Å; F161-V204 HydrophobicContact CG-CG2 4.12Å; D162-V204 WeakPolarHBondContact O-CA 3.35Å; F163-V204 HydrophobicContact CD1-CB 3.82Å; F163-V204 HydrophobicContact CD1-CG2 3.73Å; F163-V204 HydrophobicContact CE1-CB 3.81Å; F163-V204 HydrophobicContact CE1-CG2 3.46Å; F163-V204 VanDerWaalsContact CE1-CG2 3.46Å; F163-V204 HydrophobicContact CZ-CG2 4.07Å; V204-S215 PolarHBondContact N-OG 2.7Å; V204-S215 PolarHBondContact O-N 3.29Å |
| 205 | N | 96 | Very high | 92.2 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 134.4 | 171.8 | -173.2 | 57.3 | 0 | 0 | 0 | 108.8 | D162 S212 H213 W214 | D162-N205 PolarHBondContact N-O 3.07Å; D162-N205 PolarHBondContact O-N 3.34Å; N205-S212 WeakPolarHBondContact OD1-CB 3.44Å; N205-H213 VanDerWaalsContact OD1-C 3.32Å; N205-H213 PolarHBondContact OD1-O 2.97Å; N205-W214 HydrophobicContact CB-CD2 3.75Å; N205-W214 HydrophobicContact CB-CE3 3.6Å; N205-W214 HydrophobicContact CB-CG 4.32Å; N205-W214 HydrophobicContact CB-CH2 4.15Å; N205-W214 HydrophobicContact CB-CZ2 4.27Å; N205-W214 HydrophobicContact CB-CZ3 3.82Å |
| 206 | P | 94.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136.5 | -179.4 | 28.6 | -33.8 | 0 | 0 | 0 | 111.8 | I126 M128 F157 F161 R209 | I126-P206 HydrophobicContact CG2-CG 4.22Å; M128-P206 HydrophobicContact SD-CB 4.18Å; M128-P206 HydrophobicContact SD-CG 4.28Å; F157-P206 HydrophobicContact CD1-CB 3.57Å; F157-P206 HydrophobicContact CD1-CG 4.34Å; F157-P206 HydrophobicContact CE1-CB 3.56Å; F157-P206 HydrophobicContact CE1-CG 3.81Å; F157-P206 HydrophobicContact CZ-CB 4.48Å; F161-P206 HydrophobicContact CD1-CB 4.43Å; P206-R209 HydrophobicContact CB-CB 4.43Å; P206-R209 HydrophobicContact CB-CG 4.17Å; P206-R209 HydrophobicContact CG-CB 4.1Å; P206-R209 HydrophobicContact CG-CG 4.26Å |
| 207 | V | 92.7 | Very high | 93.4 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 148.3 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | S159 G160 R209 | S159-V207 WeakPolarHBondContact O-CB 3.38Å; G160-V207 WeakPolarHBondContact O-CB 3.38Å; G160-V207 PolarHBondContact O-N 2.92Å; V207-R209 PolarHBondContact O-N 3.19Å; V207-R209 VanDerWaalsContact O-N 3.17Å |
| 208 | G | 85.7 | Confident | 93.7 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 62% | 0.619 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 6.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P210 | G208-P210 VanDerWaalsContact O-CD 3.3Å; G208-P210 WeakPolarHBondContact O-CD 3.48Å |
| 209 | R | 86.4 | Confident | 93.9 | Very high | 61 Ų | 61 | 41.2 Ų | 41.2 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | trans | -110.5 | 86.5 | 179.6 | -64.5 | -65.5 | -175.4 | -170.6 | -3.4 | 110.8 | I126 Y156 P206 V207 S212 | I126-R209 HydrophobicContact CD1-CB 4.01Å; I126-R209 HydrophobicContact CD1-CG 3.88Å; Y156-R209 PolarHBondContact O-NH2 3.02Å; P206-R209 HydrophobicContact CB-CB 4.43Å; P206-R209 HydrophobicContact CB-CG 4.17Å; P206-R209 HydrophobicContact CG-CB 4.1Å; P206-R209 HydrophobicContact CG-CG 4.26Å; V207-R209 PolarHBondContact O-N 3.19Å; V207-R209 VanDerWaalsContact O-N 3.17Å; R209-S212 WeakPolarHBondContact CB-OG 3.34Å; R209-S212 VanDerWaalsContact O-CB 3.24Å; R209-S212 WeakPolarHBondContact O-CB 3.28Å; R209-S212 PolarHBondContact O-N 3.47Å; R209-S212 PolarHBondContact O-OG 3.16Å | ||
| 210 | P | 82.6 | Confident | 94 | Very high | 101 Ų | 101 | 43.8 Ų | 43.8 | 66% | 0.656 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 147.1 | 178.2 | 27 | -35 | 0 | 0 | 0 | 111.1 | G208 S212 | G208-P210 VanDerWaalsContact O-CD 3.3Å; G208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-S212 PolarHBondContact O-N 2.93Å |
| 211 | G | 83.3 | Confident | 94 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 51% | 0.505 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -8.6 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | E124 | E124-G211 CarbonylContact O-C 3.58Å; E124-G211 VanDerWaalsContact O-C 3.28Å; E124-G211 VanDerWaalsContact O-CA 3.3Å; E124-G211 WeakPolarHBondContact O-CA 3.31Å |
| 212 | S | 91.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | trans | -63.2 | 145.2 | 175.1 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | I126 N205 R209 P210 | I126-S212 WeakPolarHBondContact O-CA 3.14Å; N205-S212 WeakPolarHBondContact OD1-CB 3.44Å; R209-S212 WeakPolarHBondContact CB-OG 3.34Å; R209-S212 VanDerWaalsContact O-CB 3.24Å; R209-S212 WeakPolarHBondContact O-CB 3.28Å; R209-S212 PolarHBondContact O-N 3.47Å; R209-S212 PolarHBondContact O-OG 3.16Å; P210-S212 PolarHBondContact O-N 2.93Å | ||
| 213 | H | 94.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -105.3 | 139.4 | 175.2 | -58.8 | -90 | 0 | 0 | 0 | 110.3 | T32 I126 K127 N205 S215 | T32-H213 VanDerWaalsContact CG2-CD2 3.5Å; T32-H213 WeakPolarHBondContact CG2-CD2 3.4Å; I126-H213 PolarHBondContact O-N 2.9Å; K127-H213 HydrophobicContact CB-CB 4.28Å; K127-H213 HydrophobicContact CG-CB 4.28Å; N205-H213 VanDerWaalsContact OD1-C 3.32Å; N205-H213 PolarHBondContact OD1-O 2.97Å; H213-S215 PolarHBondContact O-N 3.03Å |
| 214 | W | 96.4 | Very high | 92.9 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 138 | 164.7 | -71.9 | 96.6 | 0 | 0 | 0 | 111.4 | D162 Q164 R203 N205 | D162-W214 HydrophobicContact CB-CH2 4.2Å; D162-W214 VanDerWaalsContact O-CZ3 3.28Å; D162-W214 WeakPolarHBondContact O-CZ3 3.34Å; Q164-W214 HydrophobicContact CB-CE3 4.36Å; Q164-W214 HydrophobicContact CB-CH2 3.78Å; Q164-W214 HydrophobicContact CB-CZ2 4.44Å; Q164-W214 HydrophobicContact CB-CZ3 3.72Å; R203-W214 HydrophobicContact CG-CD2 4.43Å; R203-W214 HydrophobicContact CG-CE3 3.73Å; R203-W214 HydrophobicContact CG-CZ3 4.31Å; R203-W214 VanDerWaalsContact NH1-CB 3.34Å; N205-W214 HydrophobicContact CB-CD2 3.75Å; N205-W214 HydrophobicContact CB-CE3 3.6Å; N205-W214 HydrophobicContact CB-CG 4.32Å; N205-W214 HydrophobicContact CB-CH2 4.15Å; N205-W214 HydrophobicContact CB-CZ2 4.27Å; N205-W214 HydrophobicContact CB-CZ3 3.82Å |
| 215 | S | 97.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 164.8 | 168.9 | 75.5 | 0 | 0 | 0 | 0 | 111.4 | M128 P131 R203 V204 H213 | M128-S215 WeakPolarHBondContact O-CA 3.49Å; M128-S215 WeakPolarHBondContact O-CB 3.35Å; P131-S215 WeakPolarHBondContact CD-OG 3.49Å; R203-S215 WeakPolarHBondContact CA-OG 3.34Å; R203-S215 WeakPolarHBondContact CB-OG 3.3Å; V204-S215 PolarHBondContact N-OG 2.7Å; V204-S215 PolarHBondContact O-N 3.29Å; H213-S215 PolarHBondContact O-N 3.03Å |
| 216 | D | 96.1 | Very high | 89.2 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 162.5 | 160.1 | -62.4 | -51.9 | 0 | 0 | 0 | 110.2 | K127 P130 | K127-D216 WeakPolarHBondContact CE-OD2 3.43Å; K127-D216 IonicContact NZ-OD1 2.67Å; K127-D216 PolarHBondContact NZ-OD1 3.01Å; K127-D216 IonicContact NZ-OD2 3.62Å; K127-D216 PolarHBondContact NZ-OD2 3.38Å; P130-D216 HydrophobicContact CB-CB 4.4Å; P130-D216 WeakPolarHBondContact CB-O 3.39Å |
| 217 | W | 97.6 | Very high | 86.9 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 25% | 0.25 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -69 | 141.8 | 176.6 | -65.3 | 100.9 | 0 | 0 | 0 | 110.8 | Q164 Q166 R201 R203 | Q164-W217 HydrophobicContact CG-CH2 4.19Å; Q164-W217 WeakPolarHBondContact O-CZ3 3.46Å; Q166-W217 HydrophobicContact CB-CH2 4.4Å; Q166-W217 HydrophobicContact CB-CZ3 4.22Å; Q166-W217 HydrophobicContact CG-CH2 3.45Å; Q166-W217 VanDerWaalsContact CG-CH2 3.45Å; Q166-W217 HydrophobicContact CG-CZ2 4.23Å; Q166-W217 HydrophobicContact CG-CZ3 3.73Å; R201-W217 HydrophobicContact CB-CE3 4.37Å; R201-W217 HydrophobicContact CG-CB 4.45Å; R201-W217 HydrophobicContact CG-CD2 4.11Å; R201-W217 HydrophobicContact CG-CE3 3.66Å; R201-W217 HydrophobicContact CG-CG 4.46Å; R201-W217 HydrophobicContact CG-CZ3 4.29Å; R203-W217 HydrophobicContact CB-CD2 4.35Å; R203-W217 HydrophobicContact CB-CE3 3.9Å; R203-W217 HydrophobicContact CB-CZ3 4.16Å; R203-W217 HydrophobicContact CG-CD2 4.26Å; R203-W217 HydrophobicContact CG-CE3 3.76Å; R203-W217 HydrophobicContact CG-CH2 3.81Å; R203-W217 HydrophobicContact CG-CZ2 4.3Å; R203-W217 HydrophobicContact CG-CZ3 3.54Å; R203-W217 VanDerWaalsContact NE-CZ2 3.35Å |
| 218 | S | 97.8 | Very high | 84.5 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 4% | 0.035 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 161.1 | 165.9 | 74 | 0 | 0 | 0 | 0 | 111.3 | P131 G132 R201 V202 | P131-S218 WeakPolarHBondContact O-CA 3.36Å; P131-S218 WeakPolarHBondContact O-CB 3.37Å; G132-S218 WeakPolarHBondContact O-CB 3.33Å; R201-S218 WeakPolarHBondContact CA-OG 3.44Å; V202-S218 PolarHBondContact N-OG 3.46Å; V202-S218 WeakPolarHBondContact O-CB 3.49Å; V202-S218 PolarHBondContact O-N 2.97Å; V202-S218 PolarHBondContact O-OG 3.26Å |
| 219 | P | 97.1 | Very high | 82.2 | Confident | 82 Ų | 82 | 73.9 Ų | 73.9 | 53% | 0.532 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 146.3 | 158.4 | -21 | 32.3 | 0 | 0 | 0 | 110.4 | A133 | A133-P219 HydrophobicContact CB-CB 4Å; A133-P219 HydrophobicContact CB-CG 4.39Å |
| 220 | T | 97.3 | Very high | 80.1 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 41% | 0.411 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -87 | 121.1 | -177.4 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | W174 D199 A200 | W174-T220 HydrophobicContact CH2-CG2 3.96Å; W174-T220 HydrophobicContact CZ2-CG2 3.83Å; D199-T220 HydrophobicContact CB-CG2 3.77Å; A200-T220 CarbonylContact O-C 3.53Å; A200-T220 WeakPolarHBondContact O-CA 3.32Å |
| 221 | T | 96.4 | Very high | 78.2 | Confident | 33 Ų | 33 | 78 Ų | 78 | 20% | 0.202 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 131.2 | 168.9 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | P134 I136 D199 A200 | P134-T221 VanDerWaalsContact O-CB 3.23Å; P134-T221 WeakPolarHBondContact O-CB 3.38Å; P134-T221 VanDerWaalsContact O-CG2 3.31Å; P134-T221 WeakPolarHBondContact O-CG2 3.2Å; P134-T221 PolarHBondContact O-OG1 3.41Å; I136-T221 HydrophobicContact CG1-CG2 3.77Å; D199-T221 CarbonylContact C-O 3.41Å; D199-T221 WeakPolarHBondContact CA-O 3.47Å; A200-T221 PolarHBondContact N-O 2.74Å; A200-T221 PolarHBondContact O-N 2.78Å |
| 222 | S | 94.6 | Very high | 76.3 | Confident | 51 Ų | 51 | 78.1 Ų | 78.1 | 36% | 0.357 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 146.4 | 168.5 | -57.8 | 0 | 0 | 0 | 0 | 112 | R170 L198 D199 | R170-S222 PolarHBondContact NH2-OG 2.72Å; L198-S222 CarbonylContact O-C 3.58Å; L198-S222 WeakPolarHBondContact O-CA 3.41Å; L198-S222 WeakPolarHBondContact O-CB 3.18Å; D199-S222 WeakPolarHBondContact OD1-CB 3.36Å; D199-S222 PolarHBondContact OD1-OG 3.06Å |
| 223 | W | 92 | Very high | 74.3 | Confident | 33 Ų | 33 | 82.3 Ų | 82.3 | 13% | 0.125 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 176.3 | 168.9 | 71.6 | 104 | 0 | 0 | 0 | 110.5 | I136 I145 I167 L194 L198 A200 | I136-W223 HydrophobicContact CD1-CD2 4.04Å; I136-W223 HydrophobicContact CD1-CE3 3.63Å; I136-W223 HydrophobicContact CD1-CH2 4.04Å; I136-W223 HydrophobicContact CD1-CZ2 4.4Å; I136-W223 HydrophobicContact CD1-CZ3 3.65Å; I136-W223 HydrophobicContact CG1-CD2 3.97Å; I136-W223 HydrophobicContact CG1-CE3 3.72Å; I136-W223 HydrophobicContact CG1-CG 4.34Å; I136-W223 HydrophobicContact CG1-CZ3 4.25Å; I136-W223 HydrophobicContact CG2-CB 4.4Å; I136-W223 HydrophobicContact CG2-CD2 4.02Å; I136-W223 HydrophobicContact CG2-CG 3.9Å; I145-W223 HydrophobicContact CD1-CH2 3.82Å; I145-W223 HydrophobicContact CD1-CZ2 3.96Å; I167-W223 HydrophobicContact CG2-CH2 3.99Å; I167-W223 HydrophobicContact CG2-CZ2 4.45Å; L194-W223 HydrophobicContact CD1-CZ2 4.36Å; L198-W223 HydrophobicContact CB-CD2 4.12Å; L198-W223 HydrophobicContact CB-CE3 4.29Å; L198-W223 HydrophobicContact CB-CH2 3.96Å; L198-W223 HydrophobicContact CB-CZ2 3.76Å; L198-W223 HydrophobicContact CB-CZ3 4.21Å; L198-W223 HydrophobicContact CD1-CH2 4.45Å; L198-W223 HydrophobicContact CD1-CZ2 3.61Å; L198-W223 HydrophobicContact CG-CZ2 4.35Å; L198-W223 PolarHBondContact N-O 3.29Å; L198-W223 PolarHBondContact O-N 3.4Å; A200-W223 HydrophobicContact CB-CH2 3.71Å; A200-W223 HydrophobicContact CB-CZ3 3.5Å |
| 224 | G | 84.3 | Confident | 72.3 | Confident | 32 Ų | 32 | 81.8 Ų | 81.8 | 33% | 0.33 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.9 | 156.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G196 L226 | G196-G224 WeakPolarHBondContact O-CA 3.12Å; G224-L226 PolarHBondContact O-N 3.36Å |
| 225 | D | 65.2 | Low | 70.3 | Confident | 117 Ų | 117 | 82 Ų | 82 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | trans | -74.3 | 118.9 | -174 | -155.4 | -27 | 0 | 0 | 0 | 111.6 | K227 G228 | D225-K227 PolarHBondContact O-N 3.23Å; D225-K227 PolarHBondContact OD1-N 2.71Å; D225-K227 VanDerWaalsContact OD1-N 3.16Å; D225-G228 PolarHBondContact O-N 2.93Å | ||
| 226 | L | 50.7 | Low | 68.4 | Low | 163 Ų | 163 | 88.8 Ų | 88.8 | 85% | 0.853 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -19.6 | 178.4 | -81.8 | 164.3 | 0 | 0 | 0 | 112.7 | G224 G228 | G224-L226 PolarHBondContact O-N 3.36Å; L226-G228 PolarHBondContact O-N 3.47Å |
| 227 | K | 46.9 | Very low | 66.7 | Low | 197 Ų | 197 | 87.5 Ų | 87.5 | 86% | 0.857 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -8.4 | 176.5 | -83.5 | 179.1 | 170.8 | 176.3 | 0 | 113.9 | D225 H229 | D225-K227 PolarHBondContact O-N 3.23Å; D225-K227 PolarHBondContact OD1-N 2.71Å; D225-K227 VanDerWaalsContact OD1-N 3.16Å; K227-H229 PolarHBondContact O-N 2.89Å; K227-H229 VanDerWaalsContact O-N 3.09Å |
| 228 | G | 43 | Very low | 65.2 | Low | 47 Ų | 47 | 88.6 Ų | 88.6 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | trans | -82.9 | 62.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | D225 L226 S230 | D225-G228 PolarHBondContact O-N 2.93Å; L226-G228 PolarHBondContact O-N 3.47Å; G228-S230 PolarHBondContact O-N 3.22Å; G228-S230 VanDerWaalsContact O-N 3.07Å | ||
| 229 | H | 37.3 | Very low | 64.1 | Low | 172 Ų | 172 | 92.4 Ų | 92.4 | 80% | 0.796 | 53% | 0.527 | S | S | * | . | trans | -78.2 | 39.2 | 159.2 | -102.8 | 100.1 | 0 | 0 | 0 | 111.9 | K227 H231 | K227-H229 PolarHBondContact O-N 2.89Å; K227-H229 VanDerWaalsContact O-N 3.09Å; H229-H231 PolarHBondContact O-N 2.95Å; H229-H231 VanDerWaalsContact O-N 3.09Å | ||
| 230 | S | 41.5 | Very low | 63.1 | Low | 103 Ų | 103 | 96.2 Ų | 96.2 | 72% | 0.72 | 53% | 0.53 | S | S | * | . | trans | -70.6 | 99.8 | 165.3 | 54.5 | 0 | 0 | 0 | 0 | 108.3 | G228 S232 | G228-S230 PolarHBondContact O-N 3.22Å; G228-S230 VanDerWaalsContact O-N 3.07Å; S230-S232 PolarHBondContact O-N 3.41Å | ||
| 231 | H | 43 | Very low | 62.2 | Low | 144 Ų | 144 | 100.2 Ų | 100.2 | 67% | 0.667 | 54% | 0.538 | S | S | * | . | trans | -46.6 | 133.1 | 164.6 | -81.8 | -88 | 0 | 0 | 0 | 109.2 | H229 | H229-H231 PolarHBondContact O-N 2.95Å; H229-H231 VanDerWaalsContact O-N 3.09Å | ||
| 232 | S | 42.4 | Very low | 61.3 | Low | 52 Ų | 52 | 102.3 Ų | 102.3 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | trans | -63.6 | 136.8 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | S230 S234 D235 | S230-S232 PolarHBondContact O-N 3.41Å; S232-S234 PolarHBondContact O-N 3.46Å; S232-S234 VanDerWaalsContact O-N 3.07Å; S232-S234 WeakPolarHBondContact OG-CB 3.34Å; S232-S234 PolarHBondContact OG-N 3.01Å; S232-D235 VanDerWaalsContact CB-OD2 3.25Å; S232-D235 WeakPolarHBondContact CB-OD2 3.45Å; S232-D235 PolarHBondContact N-OD2 2.95Å; S232-D235 WeakPolarHBondContact O-CB 3.48Å; S232-D235 PolarHBondContact O-N 3.49Å | ||
| 233 | P | 50.3 | Low | 60.8 | Low | 110 Ų | 110 | 105.2 Ų | 105.2 | 71% | 0.714 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.5 | -19.4 | 170.8 | 24.5 | -33 | 0 | 0 | 0 | 111.9 | N237 | P233-N237 WeakPolarHBondContact O-CB 3.27Å; P233-N237 PolarHBondContact O-N 3.29Å |
| 234 | S | 51.4 | Low | 60.6 | Low | 71 Ų | 71 | 110 Ų | 110 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.8 | -37.9 | 168.7 | -164.5 | 0 | 0 | 0 | 0 | 113 | S232 T238 | S232-S234 PolarHBondContact O-N 3.46Å; S232-S234 VanDerWaalsContact O-N 3.07Å; S232-S234 WeakPolarHBondContact OG-CB 3.34Å; S232-S234 PolarHBondContact OG-N 3.01Å; S234-T238 WeakPolarHBondContact O-CB 3.48Å; S234-T238 PolarHBondContact O-N 3.49Å; S234-T238 PolarHBondContact O-OG1 3.46Å |
| 235 | D | 54.7 | Low | 60.6 | Low | 81 Ų | 81 | 111.9 Ų | 111.9 | 43% | 0.433 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.9 | -46.3 | -175.1 | -55.2 | -31.8 | 0 | 0 | 0 | 110.4 | S232 N237 T238 V239 | S232-D235 VanDerWaalsContact CB-OD2 3.25Å; S232-D235 WeakPolarHBondContact CB-OD2 3.45Å; S232-D235 PolarHBondContact N-OD2 2.95Å; S232-D235 WeakPolarHBondContact O-CB 3.48Å; S232-D235 PolarHBondContact O-N 3.49Å; D235-N237 VanDerWaalsContact C-N 3.31Å; D235-N237 PolarHBondContact O-N 2.92Å; D235-T238 PolarHBondContact O-N 3.22Å; D235-V239 WeakPolarHBondContact O-CG2 3.46Å; D235-V239 PolarHBondContact O-N 2.85Å |
| 236 | Q | 57.9 | Low | 61.8 | Low | 146 Ų | 146 | 111 Ų | 111 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.6 | -42.6 | 174.3 | -81.2 | -163.1 | -8.3 | 0 | 0 | 111.9 | R240 | Q236-R240 VanDerWaalsContact O-CB 3.26Å; Q236-R240 WeakPolarHBondContact O-CB 3.32Å; Q236-R240 PolarHBondContact O-N 3.43Å |
| 237 | N | 59.9 | Low | 63.7 | Low | 66 Ų | 66 | 104.8 Ų | 104.8 | 35% | 0.353 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.1 | -42.6 | 179.4 | -150.6 | 26.6 | 0 | 0 | 0 | 110.8 | P233 D235 R240 W241 | P233-N237 WeakPolarHBondContact O-CB 3.27Å; P233-N237 PolarHBondContact O-N 3.29Å; D235-N237 VanDerWaalsContact C-N 3.31Å; D235-N237 PolarHBondContact O-N 2.92Å; N237-R240 PolarHBondContact O-N 2.78Å; N237-R240 PolarHBondContact OD1-NH2 3.42Å; N237-W241 PolarHBondContact O-N 3.19Å; N237-W241 PolarHBondContact OD1-NE1 3.09Å |
| 238 | T | 66.5 | Low | 65.8 | Low | 88 Ų | 88 | 100.1 Ų | 100.1 | 54% | 0.54 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 178.1 | -55.3 | 0 | 0 | 0 | 0 | 112 | S234 D235 R240 W241 S242 | S234-T238 WeakPolarHBondContact O-CB 3.48Å; S234-T238 PolarHBondContact O-N 3.49Å; S234-T238 PolarHBondContact O-OG1 3.46Å; D235-T238 PolarHBondContact O-N 3.22Å; T238-R240 PolarHBondContact O-N 2.72Å; T238-W241 PolarHBondContact O-N 3.26Å; T238-S242 WeakPolarHBondContact O-CB 3.49Å; T238-S242 PolarHBondContact O-N 3.01Å |
| 239 | V | 73.4 | Confident | 68 | Low | 86 Ų | 86 | 104.2 Ų | 104.2 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.1 | -41.7 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111 | D235 S242 L243 | D235-V239 WeakPolarHBondContact O-CG2 3.46Å; D235-V239 PolarHBondContact O-N 2.85Å; V239-S242 WeakPolarHBondContact O-CB 3.32Å; V239-S242 PolarHBondContact O-N 2.67Å; V239-L243 HydrophobicContact CG1-CD1 3.96Å; V239-L243 HydrophobicContact CG1-CG 4.39Å; V239-L243 WeakPolarHBondContact O-CG 3.42Å; V239-L243 PolarHBondContact O-N 3.15Å |
| 240 | R | 76.6 | Confident | 70.6 | Confident | 161 Ų | 161 | 100.6 Ų | 100.6 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 177.4 | -173.4 | 175.2 | 65.6 | -177.7 | 1.2 | 112.5 | Q236 N237 T238 L243 F244 | Q236-R240 VanDerWaalsContact O-CB 3.26Å; Q236-R240 WeakPolarHBondContact O-CB 3.32Å; Q236-R240 PolarHBondContact O-N 3.43Å; N237-R240 PolarHBondContact O-N 2.78Å; N237-R240 PolarHBondContact OD1-NH2 3.42Å; T238-R240 PolarHBondContact O-N 2.72Å; R240-L243 PolarHBondContact O-N 2.97Å; R240-F244 WeakPolarHBondContact O-CB 3.36Å; R240-F244 PolarHBondContact O-N 2.57Å |
| 241 | W | 77.8 | Confident | 73 | Confident | 151 Ų | 151 | 99.7 Ų | 99.7 | 57% | 0.572 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.7 | -36.3 | 175.3 | -74.4 | 117 | 0 | 0 | 0 | 112.6 | N237 T238 F244 S245 | N237-W241 PolarHBondContact O-N 3.19Å; N237-W241 PolarHBondContact OD1-NE1 3.09Å; T238-W241 PolarHBondContact O-N 3.26Å; W241-F244 PolarHBondContact O-N 2.8Å; W241-S245 WeakPolarHBondContact O-CB 3.42Å; W241-S245 PolarHBondContact O-N 2.8Å; W241-S245 PolarHBondContact O-OG 3.33Å |
| 242 | S | 78.2 | Confident | 75.1 | Confident | 77 Ų | 77 | 96.6 Ų | 96.6 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 174 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | T238 V239 F244 S245 L246 | T238-S242 WeakPolarHBondContact O-CB 3.49Å; T238-S242 PolarHBondContact O-N 3.01Å; V239-S242 WeakPolarHBondContact O-CB 3.32Å; V239-S242 PolarHBondContact O-N 2.67Å; S242-F244 VanDerWaalsContact C-N 3.34Å; S242-F244 PolarHBondContact O-N 3.44Å; S242-S245 PolarHBondContact O-N 3.4Å; S242-L246 WeakPolarHBondContact O-CB 3.39Å; S242-L246 PolarHBondContact O-N 2.82Å |
| 243 | L | 84.7 | Confident | 77.3 | Confident | 112 Ų | 112 | 96.9 Ų | 96.9 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | 176.5 | -70.8 | 170.6 | 0 | 0 | 0 | 112.5 | V239 R240 L246 G247 | V239-L243 HydrophobicContact CG1-CD1 3.96Å; V239-L243 HydrophobicContact CG1-CG 4.39Å; V239-L243 WeakPolarHBondContact O-CG 3.42Å; V239-L243 PolarHBondContact O-N 3.15Å; R240-L243 PolarHBondContact O-N 2.97Å; L243-L246 PolarHBondContact O-N 3.26Å; L243-G247 PolarHBondContact O-N 2.84Å |
| 244 | F | 86.4 | Confident | 79.2 | Confident | 134 Ų | 134 | 96.7 Ų | 96.7 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -39.4 | 176.9 | -160.3 | -97.7 | 0 | 0 | 0 | 112.1 | R240 W241 S242 G247 L248 | R240-F244 WeakPolarHBondContact O-CB 3.36Å; R240-F244 PolarHBondContact O-N 2.57Å; W241-F244 PolarHBondContact O-N 2.8Å; S242-F244 VanDerWaalsContact C-N 3.34Å; S242-F244 PolarHBondContact O-N 3.44Å; F244-G247 PolarHBondContact O-N 3.03Å; F244-L248 HydrophobicContact CD1-CD1 3.81Å; F244-L248 HydrophobicContact CD1-CG 4.43Å; F244-L248 HydrophobicContact CE1-CD1 3.79Å; F244-L248 HydrophobicContact CE1-CG 4.34Å; F244-L248 PolarHBondContact O-N 2.86Å |
| 245 | S | 84.4 | Confident | 80.9 | Confident | 72 Ų | 72 | 97.6 Ų | 97.6 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | W241 S242 L248 F249 | W241-S245 WeakPolarHBondContact O-CB 3.42Å; W241-S245 PolarHBondContact O-N 2.8Å; W241-S245 PolarHBondContact O-OG 3.33Å; S242-S245 PolarHBondContact O-N 3.4Å; S245-L248 PolarHBondContact O-N 2.76Å; S245-F249 WeakPolarHBondContact O-CB 3.45Å; S245-F249 PolarHBondContact O-N 3.17Å |
| 246 | L | 90 | Very high | 82.3 | Confident | 97 Ų | 97 | 97.4 Ų | 97.4 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 175 | -178.2 | 61.1 | 0 | 0 | 0 | 111.8 | S242 L243 F249 L250 | S242-L246 WeakPolarHBondContact O-CB 3.39Å; S242-L246 PolarHBondContact O-N 2.82Å; L243-L246 PolarHBondContact O-N 3.26Å; L246-F249 PolarHBondContact O-N 2.95Å; L246-L250 HydrophobicContact CG-CD1 4.39Å; L246-L250 PolarHBondContact O-N 2.95Å |
| 247 | G | 91.3 | Very high | 83.4 | Confident | 33 Ų | 33 | 95.7 Ų | 95.7 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L243 F244 F249 L250 V251 | L243-G247 PolarHBondContact O-N 2.84Å; F244-G247 PolarHBondContact O-N 3.03Å; G247-F249 VanDerWaalsContact C-N 3.34Å; G247-F249 PolarHBondContact O-N 3.31Å; G247-L250 PolarHBondContact O-N 2.89Å; G247-V251 WeakPolarHBondContact O-CG2 3.48Å; G247-V251 PolarHBondContact O-N 2.71Å |
| 248 | L | 90.3 | Very high | 84.4 | Confident | 99 Ų | 99 | 95.1 Ų | 95.1 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 173.8 | -80.2 | 167.3 | 0 | 0 | 0 | 112.1 | F244 S245 V251 T252 | F244-L248 HydrophobicContact CD1-CD1 3.81Å; F244-L248 HydrophobicContact CD1-CG 4.43Å; F244-L248 HydrophobicContact CE1-CD1 3.79Å; F244-L248 HydrophobicContact CE1-CG 4.34Å; F244-L248 PolarHBondContact O-N 2.86Å; S245-L248 PolarHBondContact O-N 2.76Å; L248-V251 PolarHBondContact O-N 2.97Å; L248-T252 WeakPolarHBondContact O-CG2 3.49Å; L248-T252 PolarHBondContact O-N 2.86Å |
| 249 | F | 90.4 | Very high | 84.7 | Confident | 134 Ų | 134 | 95.7 Ų | 95.7 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 176.7 | -177.4 | -101.2 | 0 | 0 | 0 | 112.4 | S245 L246 G247 V251 T252 V253 | S245-F249 WeakPolarHBondContact O-CB 3.45Å; S245-F249 PolarHBondContact O-N 3.17Å; L246-F249 PolarHBondContact O-N 2.95Å; G247-F249 VanDerWaalsContact C-N 3.34Å; G247-F249 PolarHBondContact O-N 3.31Å; F249-V251 VanDerWaalsContact C-N 3.34Å; F249-V251 PolarHBondContact O-N 3.25Å; F249-T252 PolarHBondContact O-N 3.02Å; F249-T252 PolarHBondContact O-OG1 3.11Å; F249-V253 HydrophobicContact CD1-CG2 4.38Å; F249-V253 HydrophobicContact CE1-CG2 4.02Å; F249-V253 HydrophobicContact CE2-CG2 4.46Å; F249-V253 HydrophobicContact CZ-CG2 4.06Å; F249-V253 WeakPolarHBondContact O-CG2 3.47Å; F249-V253 PolarHBondContact O-N 2.83Å |
| 250 | L | 92.2 | Very high | 84.5 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 174.2 | -85.9 | 158.9 | 0 | 0 | 0 | 112.1 | L246 G247 V253 I254 | L246-L250 HydrophobicContact CG-CD1 4.39Å; L246-L250 PolarHBondContact O-N 2.95Å; G247-L250 PolarHBondContact O-N 2.89Å; L250-V253 PolarHBondContact O-N 2.89Å; L250-I254 WeakPolarHBondContact O-CD1 3.25Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.21Å; L250-I254 PolarHBondContact O-N 3Å |
| 251 | V | 91.3 | Very high | 84 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | G247 L248 F249 V253 I254 V255 | G247-V251 WeakPolarHBondContact O-CG2 3.48Å; G247-V251 PolarHBondContact O-N 2.71Å; L248-V251 PolarHBondContact O-N 2.97Å; F249-V251 VanDerWaalsContact C-N 3.34Å; F249-V251 PolarHBondContact O-N 3.25Å; V251-V253 PolarHBondContact O-N 2.99Å; V251-I254 PolarHBondContact O-N 3.39Å; V251-V255 HydrophobicContact CG1-CG2 4.44Å; V251-V255 WeakPolarHBondContact O-CG2 3.45Å; V251-V255 PolarHBondContact O-N 2.87Å |
| 252 | T | 86.5 | Confident | 83.2 | Confident | 78 Ų | 78 | 97.3 Ų | 97.3 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 178.1 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | L248 F249 V255 V256 | L248-T252 WeakPolarHBondContact O-CG2 3.49Å; L248-T252 PolarHBondContact O-N 2.86Å; F249-T252 PolarHBondContact O-N 3.02Å; F249-T252 PolarHBondContact O-OG1 3.11Å; T252-V255 PolarHBondContact O-N 2.94Å; T252-V256 WeakPolarHBondContact O-CB 3.49Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.27Å; T252-V256 PolarHBondContact O-N 2.99Å |
| 253 | V | 89.6 | Confident | 82.2 | Confident | 58 Ų | 58 | 102 Ų | 102 | 35% | 0.352 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.3 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | F249 L250 V251 V256 L257 | F249-V253 HydrophobicContact CD1-CG2 4.38Å; F249-V253 HydrophobicContact CE1-CG2 4.02Å; F249-V253 HydrophobicContact CE2-CG2 4.46Å; F249-V253 HydrophobicContact CZ-CG2 4.06Å; F249-V253 WeakPolarHBondContact O-CG2 3.47Å; F249-V253 PolarHBondContact O-N 2.83Å; L250-V253 PolarHBondContact O-N 2.89Å; V251-V253 PolarHBondContact O-N 2.99Å; V253-V256 PolarHBondContact O-N 2.83Å; V253-L257 HydrophobicContact CG1-CD1 3.9Å; V253-L257 HydrophobicContact CG1-CG 4.46Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 VanDerWaalsContact O-CG 3.32Å; V253-L257 WeakPolarHBondContact O-CG 3.2Å; V253-L257 PolarHBondContact O-N 3.32Å |
| 254 | I | 89.5 | Confident | 80.9 | Confident | 107 Ų | 107 | 99.7 Ų | 99.7 | 55% | 0.549 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.2 | -69.2 | 163.7 | 0 | 0 | 0 | 111.3 | L250 V251 L257 A258 | L250-I254 WeakPolarHBondContact O-CD1 3.25Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.21Å; L250-I254 PolarHBondContact O-N 3Å; V251-I254 PolarHBondContact O-N 3.39Å; I254-L257 PolarHBondContact O-N 3.19Å; I254-A258 WeakPolarHBondContact O-CB 3.31Å; I254-A258 PolarHBondContact O-N 2.95Å |
| 255 | V | 86.9 | Confident | 79.3 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | V251 T252 A258 H259 | V251-V255 HydrophobicContact CG1-CG2 4.44Å; V251-V255 WeakPolarHBondContact O-CG2 3.45Å; V251-V255 PolarHBondContact O-N 2.87Å; T252-V255 PolarHBondContact O-N 2.94Å; V255-A258 PolarHBondContact O-N 2.89Å; V255-H259 WeakPolarHBondContact O-CB 3.23Å; V255-H259 PolarHBondContact O-N 2.92Å |
| 256 | V | 83.9 | Confident | 77.8 | Confident | 77 Ų | 77 | 104.3 Ų | 104.3 | 47% | 0.467 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.7 | -46.1 | 176.7 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | T252 V253 A258 H259 Y260 | T252-V256 WeakPolarHBondContact O-CB 3.49Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.27Å; T252-V256 PolarHBondContact O-N 2.99Å; V253-V256 PolarHBondContact O-N 2.83Å; V256-A258 PolarHBondContact O-N 2.89Å; V256-H259 PolarHBondContact O-N 2.94Å; V256-H259 VanDerWaalsContact O-N 3.13Å; V256-Y260 HydrophobicContact CG1-CD2 3.73Å; V256-Y260 HydrophobicContact CG1-CE2 3.63Å; V256-Y260 VanDerWaalsContact O-CD2 3.31Å; V256-Y260 WeakPolarHBondContact O-CD2 3.29Å; V256-Y260 PolarHBondContact O-N 3.31Å |
| 257 | L | 81.8 | Confident | 75.8 | Confident | 109 Ų | 109 | 108.8 Ų | 108.8 | 57% | 0.571 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.6 | -42.4 | 177 | -73.4 | 169 | 0 | 0 | 0 | 112.3 | V253 I254 H259 Y260 K261 | V253-L257 HydrophobicContact CG1-CD1 3.9Å; V253-L257 HydrophobicContact CG1-CG 4.46Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 VanDerWaalsContact O-CG 3.32Å; V253-L257 WeakPolarHBondContact O-CG 3.2Å; V253-L257 PolarHBondContact O-N 3.32Å; I254-L257 PolarHBondContact O-N 3.19Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 2.82Å; L257-Y260 PolarHBondContact O-N 3.49Å; L257-K261 WeakPolarHBondContact O-CB 3.47Å; L257-K261 PolarHBondContact O-N 3.15Å |
| 258 | A | 80.4 | Confident | 73.9 | Confident | 54 Ų | 54 | 111.1 Ų | 111.1 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.5 | -37.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I254 V255 V256 K261 T262 | I254-A258 WeakPolarHBondContact O-CB 3.31Å; I254-A258 PolarHBondContact O-N 2.95Å; V255-A258 PolarHBondContact O-N 2.89Å; V256-A258 PolarHBondContact O-N 2.89Å; A258-K261 PolarHBondContact O-N 2.72Å; A258-T262 PolarHBondContact O-N 3.45Å; A258-T262 PolarHBondContact O-OG1 2.79Å |
| 259 | H | 72.9 | Confident | 72.3 | Confident | 101 Ų | 101 | 115.1 Ų | 115.1 | 47% | 0.468 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.7 | -32.8 | 179.1 | -150.6 | -4.9 | 0 | 0 | 0 | 113.1 | V255 V256 L257 T262 R263 | V255-H259 WeakPolarHBondContact O-CB 3.23Å; V255-H259 PolarHBondContact O-N 2.92Å; V256-H259 PolarHBondContact O-N 2.94Å; V256-H259 VanDerWaalsContact O-N 3.13Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 2.82Å; H259-T262 WeakPolarHBondContact CA-OG1 3.06Å; H259-T262 PolarHBondContact O-OG1 3.44Å; H259-T262 VanDerWaalsContact O-OG1 3.05Å; H259-R263 WeakPolarHBondContact O-CG 3.46Å; H259-R263 PolarHBondContact O-N 2.61Å |
| 260 | Y | 69.2 | Low | 70.7 | Confident | 171 Ų | 171 | 114.7 Ų | 114.7 | 67% | 0.671 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.6 | -44.7 | 168.6 | -84.4 | -71 | 0 | 0 | 0 | 112 | V256 L257 T262 R263 G264 | V256-Y260 HydrophobicContact CG1-CD2 3.73Å; V256-Y260 HydrophobicContact CG1-CE2 3.63Å; V256-Y260 VanDerWaalsContact O-CD2 3.31Å; V256-Y260 WeakPolarHBondContact O-CD2 3.29Å; V256-Y260 PolarHBondContact O-N 3.31Å; L257-Y260 PolarHBondContact O-N 3.49Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-T262 PolarHBondContact O-N 2.59Å; Y260-R263 PolarHBondContact O-N 3.36Å; Y260-G264 PolarHBondContact O-N 3.47Å |
| 261 | K | 66.3 | Low | 68.8 | Low | 175 Ų | 175 | 118 Ų | 118 | 76% | 0.761 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.4 | -37.4 | -179.2 | -165.9 | 172.4 | -176.6 | 178.1 | 0 | 112.6 | L257 A258 G264 | L257-K261 WeakPolarHBondContact O-CB 3.47Å; L257-K261 PolarHBondContact O-N 3.15Å; A258-K261 PolarHBondContact O-N 2.72Å; K261-G264 PolarHBondContact O-N 3.35Å |
| 262 | T | 60.5 | Low | 66.9 | Low | 86 Ų | 86 | 118.7 Ų | 118.7 | 53% | 0.528 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.6 | -40.5 | 173.8 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | A258 H259 Y260 G264 L265 | A258-T262 PolarHBondContact O-N 3.45Å; A258-T262 PolarHBondContact O-OG1 2.79Å; H259-T262 WeakPolarHBondContact CA-OG1 3.06Å; H259-T262 PolarHBondContact O-OG1 3.44Å; H259-T262 VanDerWaalsContact O-OG1 3.05Å; Y260-T262 VanDerWaalsContact C-N 3.33Å; Y260-T262 PolarHBondContact O-N 2.59Å; T262-G264 VanDerWaalsContact C-N 3.28Å; T262-G264 PolarHBondContact O-N 2.98Å; T262-L265 PolarHBondContact O-N 3.26Å |
| 263 | R | 57.9 | Low | 65.5 | Low | 174 Ų | 174 | 120 Ų | 120 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.3 | -28.5 | 173.8 | -71.9 | 178.6 | -173.1 | -136.6 | 1.4 | 113.1 | H259 Y260 L265 | H259-R263 WeakPolarHBondContact O-CG 3.46Å; H259-R263 PolarHBondContact O-N 2.61Å; Y260-R263 PolarHBondContact O-N 3.36Å; R263-L265 VanDerWaalsContact C-N 3.29Å; R263-L265 PolarHBondContact O-N 2.84Å |
| 264 | G | 56.5 | Low | 64 | Low | 64 Ų | 64 | 121.2 Ų | 121.2 | 66% | 0.66 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.3 | -20.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y260 K261 T262 | Y260-G264 PolarHBondContact O-N 3.47Å; K261-G264 PolarHBondContact O-N 3.35Å; T262-G264 VanDerWaalsContact C-N 3.28Å; T262-G264 PolarHBondContact O-N 2.98Å |
| 265 | L | 52.6 | Low | 62.6 | Low | 155 Ų | 155 | 119.1 Ų | 119.1 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 2.2 | -172.5 | -149.3 | 71.2 | 0 | 0 | 0 | 114.5 | T262 R263 | T262-L265 PolarHBondContact O-N 3.26Å; R263-L265 VanDerWaalsContact C-N 3.29Å; R263-L265 PolarHBondContact O-N 2.84Å |
| 266 | L | 53.6 | Low | 61.4 | Low | 148 Ų | 148 | 121.8 Ų | 121.8 | 78% | 0.775 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -108.1 | 19.9 | -172.6 | -80.8 | 168.2 | 0 | 0 | 0 | 115.2 | ||
| 267 | K | 49.1 | Very low | 60.3 | Low | 191 Ų | 191 | 126.7 Ų | 126.7 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | trans | -134 | 74 | 167 | -75.9 | -168.1 | 174.6 | -178 | 0 | 111.8 | K269 | K267-K269 PolarHBondContact O-N 2.99Š| ||
| 268 | G | 50.7 | Low | 59.5 | Low | 82 Ų | 82 | 125.8 Ų | 125.8 | 85% | 0.845 | 66% | 0.661 | S | S | * | * | trans | -60.7 | 115.1 | 163 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 269 | K | 56.5 | Low | 58.6 | Low | 184 Ų | 184 | 129.3 Ų | 129.3 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 141.7 | 165.1 | -62.8 | -179.8 | -178.9 | -179.8 | 0 | 107.7 | K267 | K267-K269 PolarHBondContact O-N 2.99Š|
| 270 | P | 56.2 | Low | 58 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 81% | 0.805 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 140.5 | 172.5 | 27.1 | -33.8 | 0 | 0 | 0 | 109.8 | ||
| 271 | L | 52.4 | Low | 57.8 | Low | 167 Ų | 167 | 121 Ų | 121 | 87% | 0.874 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 131.1 | 175.9 | -73 | 163.7 | 0 | 0 | 0 | 109.3 | ||
| 272 | P | 52.8 | Low | 57.6 | Low | 97 Ų | 97 | 118.2 Ų | 118.2 | 63% | 0.63 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 137.1 | 174.8 | 28 | -33.5 | 0 | 0 | 0 | 110 | P274 | P272-P274 WeakPolarHBondContact O-CD 3.36Š|
| 273 | N | 55.2 | Low | 57.9 | Low | 107 Ų | 107 | 119.3 Ų | 119.3 | 57% | 0.572 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 120.9 | -179.8 | -179.1 | -2.6 | 0 | 0 | 0 | 109.8 | S275 | N273-S275 VanDerWaalsContact CG-OG 3.23Å; N273-S275 PolarHBondContact ND2-OG 3.12Å; N273-S275 VanDerWaalsContact ND2-OG 3.14Å; N273-S275 PolarHBondContact O-N 2.83Å; N273-S275 VanDerWaalsContact O-N 3.1Å; N273-S275 PolarHBondContact OD1-N 3.23Å; N273-S275 PolarHBondContact OD1-OG 2.71Å; N273-S275 VanDerWaalsContact OD1-OG 3.13Å |
| 274 | P | 58.4 | Low | 58.1 | Low | 83 Ų | 83 | 115.7 Ų | 115.7 | 54% | 0.539 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -67 | -11.8 | -174.7 | 26.6 | -35.5 | 0 | 0 | 0 | 114.5 | P272 E276 Y277 F278 | P272-P274 WeakPolarHBondContact O-CD 3.36Å; P274-E276 PolarHBondContact O-N 3.34Å; P274-Y277 PolarHBondContact O-N 3.14Å; P274-F278 WeakPolarHBondContact O-CD2 3.43Å |
| 275 | S | 60.7 | Low | 58.5 | Low | 62 Ų | 62 | 115.2 Ų | 115.2 | 43% | 0.434 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -61.3 | -26.7 | -178 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | N273 Y277 F278 | N273-S275 VanDerWaalsContact CG-OG 3.23Å; N273-S275 PolarHBondContact ND2-OG 3.12Å; N273-S275 VanDerWaalsContact ND2-OG 3.14Å; N273-S275 PolarHBondContact O-N 2.83Å; N273-S275 VanDerWaalsContact O-N 3.1Å; N273-S275 PolarHBondContact OD1-N 3.23Å; N273-S275 PolarHBondContact OD1-OG 2.71Å; N273-S275 VanDerWaalsContact OD1-OG 3.13Å; S275-Y277 VanDerWaalsContact C-N 3.26Å; S275-Y277 PolarHBondContact O-N 2.83Å; S275-F278 PolarHBondContact O-N 3Å |
| 276 | E | 62.1 | Low | 59.2 | Low | 146 Ų | 146 | 116.5 Ų | 116.5 | 68% | 0.682 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -69.1 | -22.7 | -179.9 | -65.4 | -167.7 | 164.1 | 0 | 0 | 113.4 | P274 F278 | P274-E276 PolarHBondContact O-N 3.34Å; E276-F278 VanDerWaalsContact C-N 3.3Å; E276-F278 PolarHBondContact O-N 3.26Å |
| 277 | Y | 61 | Low | 59.8 | Low | 180 Ų | 180 | 111 Ų | 111 | 71% | 0.706 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -79.1 | -10 | 179.8 | -63.2 | -78.7 | 0 | 0 | 0 | 113.9 | P274 S275 | P274-Y277 PolarHBondContact O-N 3.14Å; S275-Y277 VanDerWaalsContact C-N 3.26Å; S275-Y277 PolarHBondContact O-N 2.83Å |
| 278 | F | 64.4 | Low | 60.9 | Low | 90 Ų | 90 | 105 Ų | 105 | 40% | 0.395 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -116.4 | 22.4 | -173.6 | -64 | -77 | 0 | 0 | 0 | 113.9 | P274 S275 E276 T280 L281 H282 | P274-F278 WeakPolarHBondContact O-CD2 3.43Å; S275-F278 PolarHBondContact O-N 3Å; E276-F278 VanDerWaalsContact C-N 3.3Å; E276-F278 PolarHBondContact O-N 3.26Å; F278-T280 VanDerWaalsContact C-N 3.32Å; F278-T280 PolarHBondContact O-N 3.07Å; F278-L281 HydrophobicContact CB-CB 4.32Å; F278-L281 VanDerWaalsContact O-CB 3.32Å; F278-L281 WeakPolarHBondContact O-CB 3.46Å; F278-L281 PolarHBondContact O-N 3.3Å; F278-H282 PolarHBondContact O-CD2 2.85Å; F278-H282 PolarHBondContact O-N 3.01Å |
| 279 | Q | 62.2 | Low | 61.7 | Low | 129 Ų | 129 | 105.1 Ų | 105.1 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -50.9 | -47.8 | -178.6 | -70.1 | -175.1 | 12.4 | 0 | 0 | 112.8 | L281 H282 T283 | Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.79Å; Q279-H282 PolarHBondContact O-N 3.19Å; Q279-H282 VanDerWaalsContact O-N 3.12Å; Q279-T283 PolarHBondContact O-N 2.84Å; Q279-T283 PolarHBondContact O-OG1 2.84Å |
| 280 | T | 60.3 | Low | 62.2 | Low | 84 Ų | 84 | 104.7 Ų | 104.7 | 52% | 0.515 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.7 | -34.2 | -179.6 | -37 | 0 | 0 | 0 | 0 | 113.3 | F278 V284 | F278-T280 VanDerWaalsContact C-N 3.32Å; F278-T280 PolarHBondContact O-N 3.07Å; T280-V284 HydrophobicContact CG2-CB 4.42Å; T280-V284 HydrophobicContact CG2-CG2 3.83Å; T280-V284 WeakPolarHBondContact O-CB 3.1Å; T280-V284 PolarHBondContact O-N 2.96Å |
| 281 | L | 64.5 | Low | 62.6 | Low | 14 Ų | 14 | 104.1 Ų | 104.1 | 7% | 0.073 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.5 | -177.4 | 75.8 | 0 | 0 | 0 | 110.7 | F278 Q279 H285 Q286 G287 L289 W292 | F278-L281 HydrophobicContact CB-CB 4.32Å; F278-L281 VanDerWaalsContact O-CB 3.32Å; F278-L281 WeakPolarHBondContact O-CB 3.46Å; F278-L281 PolarHBondContact O-N 3.3Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.79Å; L281-H285 CarbonylContact O-C 3.55Å; L281-H285 PolarHBondContact O-N 3.34Å; L281-Q286 PolarHBondContact O-N 2.69Å; L281-Q286 VanDerWaalsContact O-N 3.15Å; L281-G287 PolarHBondContact O-N 3.24Å; L281-L289 HydrophobicContact CD1-CB 4.22Å; L281-L289 HydrophobicContact CD1-CD1 4.06Å; L281-L289 HydrophobicContact CD1-CG 4.46Å; L281-L289 HydrophobicContact CD2-CD1 3.94Å; L281-W292 HydrophobicContact CD1-CB 3.89Å; L281-W292 HydrophobicContact CD1-CD2 4.3Å; L281-W292 HydrophobicContact CD1-CE3 4.27Å; L281-W292 HydrophobicContact CD1-CG 4.16Å |
| 282 | H | 61.7 | Low | 63.4 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -79.8 | -30.7 | -177.3 | -69.6 | -71.2 | 0 | 0 | 0 | 113.4 | F278 Q279 Q286 | F278-H282 PolarHBondContact O-CD2 2.85Å; F278-H282 PolarHBondContact O-N 3.01Å; Q279-H282 PolarHBondContact O-N 3.19Å; Q279-H282 VanDerWaalsContact O-N 3.12Å; H282-Q286 WeakPolarHBondContact O-CA 3.17Å |
| 283 | T | 66.6 | Low | 64 | Low | 109 Ų | 109 | 102.5 Ų | 102.5 | 67% | 0.669 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -88 | -37.3 | -179.9 | 54 | 0 | 0 | 0 | 0 | 114.2 | Q279 | Q279-T283 PolarHBondContact O-N 2.84Å; Q279-T283 PolarHBondContact O-OG1 2.84Å |
| 284 | V | 63 | Low | 64.2 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -96.7 | -40.8 | -175.7 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | T280 | T280-V284 HydrophobicContact CG2-CB 4.42Å; T280-V284 HydrophobicContact CG2-CG2 3.83Å; T280-V284 WeakPolarHBondContact O-CB 3.1Å; T280-V284 PolarHBondContact O-N 2.96Å |
| 285 | H | 64.4 | Low | 64.1 | Low | 54 Ų | 54 | 102.8 Ų | 102.8 | 25% | 0.25 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -109.5 | 9.4 | -176.8 | -63.2 | -81.5 | 0 | 0 | 0 | 113.8 | L281 G287 N288 W292 | L281-H285 CarbonylContact O-C 3.55Å; L281-H285 PolarHBondContact O-N 3.34Å; H285-G287 PolarHBondContact O-N 2.93Å; H285-N288 VanDerWaalsContact O-CB 3.29Å; H285-N288 WeakPolarHBondContact O-CB 3.33Å; H285-N288 PolarHBondContact O-N 3.09Å; H285-W292 AromaticContact CD2-CD1 3.66Å; H285-W292 AromaticContact NE2-CD1 3.74Å |
| 286 | Q | 67.8 | Low | 63.4 | Low | 183 Ų | 183 | 109.2 Ų | 109.2 | 86% | 0.855 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 28.7 | -179.1 | -60.5 | -172.4 | -4.2 | 0 | 0 | 114.8 | L281 H282 | L281-Q286 PolarHBondContact O-N 2.69Å; L281-Q286 VanDerWaalsContact O-N 3.15Å; H282-Q286 WeakPolarHBondContact O-CA 3.17Å |
| 287 | G | 66.3 | Low | 62.8 | Low | 33 Ų | 33 | 107.6 Ų | 107.6 | 34% | 0.34 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L281 H285 L289 | L281-G287 PolarHBondContact O-N 3.24Å; H285-G287 PolarHBondContact O-N 2.93Å; G287-L289 PolarHBondContact O-N 3.01Å |
| 288 | N | 71.1 | Confident | 61.8 | Low | 65 Ų | 65 | 101.9 Ų | 101.9 | 35% | 0.348 | 54% | 0.541 | S | S | . | . | trans | -77 | 86 | -179.4 | -171.3 | 1.2 | 0 | 0 | 0 | 112.5 | H285 K290 E291 W292 | H285-N288 VanDerWaalsContact O-CB 3.29Å; H285-N288 WeakPolarHBondContact O-CB 3.33Å; H285-N288 PolarHBondContact O-N 3.09Å; N288-K290 PolarHBondContact O-N 3.48Å; N288-K290 VanDerWaalsContact O-N 3.11Å; N288-K290 PolarHBondContact OD1-N 3.13Å; N288-E291 WeakPolarHBondContact ND2-CG 3.37Å; N288-E291 PolarHBondContact ND2-OE1 3.22Å; N288-E291 PolarHBondContact ND2-OE2 3.45Å; N288-E291 PolarHBondContact O-N 3.27Å; N288-W292 PolarHBondContact O-N 3.1Å | ||
| 289 | L | 67.9 | Low | 60.6 | Low | 84 Ų | 84 | 103.9 Ų | 103.9 | 44% | 0.44 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.5 | -23.5 | 179.8 | -160.6 | 108.1 | 0 | 0 | 0 | 114 | L281 G287 W292 L293 | L281-L289 HydrophobicContact CD1-CB 4.22Å; L281-L289 HydrophobicContact CD1-CD1 4.06Å; L281-L289 HydrophobicContact CD1-CG 4.46Å; L281-L289 HydrophobicContact CD2-CD1 3.94Å; G287-L289 PolarHBondContact O-N 3.01Å; L289-W292 HydrophobicContact CD1-CE3 4.42Å; L289-L293 HydrophobicContact CD2-CD1 3.72Å; L289-L293 HydrophobicContact CG-CD1 4.11Å; L289-L293 WeakPolarHBondContact O-CG 3.33Å; L289-L293 PolarHBondContact O-N 3.41Å |
| 290 | K | 66.8 | Low | 59.3 | Low | 174 Ų | 174 | 106 Ų | 106 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.9 | -29.8 | -178.3 | -170.1 | 178.2 | 177.4 | -175.2 | 0 | 112.9 | N288 | N288-K290 PolarHBondContact O-N 3.48Å; N288-K290 VanDerWaalsContact O-N 3.11Å; N288-K290 PolarHBondContact OD1-N 3.13Å |
| 291 | E | 64.2 | Low | 58.3 | Low | 113 Ų | 113 | 106.4 Ų | 106.4 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -83.8 | -40.8 | 176.5 | -76 | 169.8 | -171.2 | 0 | 0 | 111.6 | N288 L293 N294 | N288-E291 WeakPolarHBondContact ND2-CG 3.37Å; N288-E291 PolarHBondContact ND2-OE1 3.22Å; N288-E291 PolarHBondContact ND2-OE2 3.45Å; N288-E291 PolarHBondContact O-N 3.27Å; E291-L293 PolarHBondContact O-N 3.3Å; E291-N294 PolarHBondContact O-N 3.44Å; E291-N294 VanDerWaalsContact O-N 3.08Å |
| 292 | W | 69.6 | Low | 56.9 | Low | 113 Ų | 113 | 115.3 Ų | 115.3 | 43% | 0.428 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -57.9 | -35.7 | 177.2 | -179.4 | 59.3 | 0 | 0 | 0 | 112.9 | L281 H285 N288 L289 | L281-W292 HydrophobicContact CD1-CB 3.89Å; L281-W292 HydrophobicContact CD1-CD2 4.3Å; L281-W292 HydrophobicContact CD1-CE3 4.27Å; L281-W292 HydrophobicContact CD1-CG 4.16Å; H285-W292 AromaticContact CD2-CD1 3.66Å; H285-W292 AromaticContact NE2-CD1 3.74Å; N288-W292 PolarHBondContact O-N 3.1Å; L289-W292 HydrophobicContact CD1-CE3 4.42Å |
| 293 | L | 66.4 | Low | 55.9 | Low | 116 Ų | 116 | 117.7 Ų | 117.7 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -4.5 | 178.9 | -69.3 | 175.5 | 0 | 0 | 0 | 114.8 | L289 E291 | L289-L293 HydrophobicContact CD2-CD1 3.72Å; L289-L293 HydrophobicContact CG-CD1 4.11Å; L289-L293 WeakPolarHBondContact O-CG 3.33Å; L289-L293 PolarHBondContact O-N 3.41Å; E291-L293 PolarHBondContact O-N 3.3Å |
| 294 | N | 59.3 | Low | 54.5 | Low | 102 Ų | 102 | 118 Ų | 118 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | trans | -140.1 | 59.4 | -173.6 | -162.7 | 25.9 | 0 | 0 | 0 | 114.1 | E291 F296 | E291-N294 PolarHBondContact O-N 3.44Å; E291-N294 VanDerWaalsContact O-N 3.08Å; N294-F296 PolarHBondContact O-N 3.4Å | ||
| 295 | P | 56.4 | Low | 53.4 | Low | 94 Ų | 94 | 119.8 Ų | 119.8 | 61% | 0.61 | 64% | 0.644 | S | S | * | * | trans | -66.5 | 124 | 175 | 29.2 | -34.4 | 0 | 0 | 0 | 111.1 | ||||
| 296 | F | 46.4 | Very low | 52.4 | Low | 197 Ų | 197 | 122.1 Ų | 122.1 | 86% | 0.864 | 66% | 0.664 | S | S | * | * | trans | 66.2 | 82 | 176.3 | -53.7 | -77 | 0 | 0 | 0 | 116.8 | N294 G298 | N294-F296 PolarHBondContact O-N 3.4Å; F296-G298 PolarHBondContact O-N 2.73Å; F296-G298 VanDerWaalsContact O-N 3.07Å | ||
| 297 | S | 47.8 | Very low | 50.8 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 79% | 0.79 | 66% | 0.656 | S | S | * | * | trans | -66.2 | 98.4 | 147.8 | -64.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 298 | G | 41.7 | Very low | 49.2 | Very low | 60 Ų | 60 | 122.8 Ų | 122.8 | 62% | 0.619 | 68% | 0.682 | S | S | * | * | trans | -153.5 | 59.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | F296 | F296-G298 PolarHBondContact O-N 2.73Å; F296-G298 VanDerWaalsContact O-N 3.07Å | ||
| 299 | T | 38.3 | Very low | 47.5 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | trans | 64.7 | 114.3 | 152.9 | -47.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 300 | Q | 34.8 | Very low | 46.3 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | 59.4 | 104 | 154.3 | -71.9 | -175.4 | -18.2 | 0 | 0 | 120.8 | ||||
| 301 | S | 38.5 | Very low | 44.9 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | 40.1 | 120.5 | 129 | 62.1 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 302 | F | 35.8 | Very low | 43.4 | Very low | 202 Ų | 202 | 129.7 Ų | 129.7 | 89% | 0.886 | 73% | 0.732 | S | S | * | * | -147 | 117.4 | 118.7 | -98.7 | -71.1 | 0 | 0 | 0 | 110.9 | V304 | F302-V304 HydrophobicContact CD1-CG2 4.27Š| |||
| 303 | L | 41 | Very low | 41.7 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | -85.8 | 115.7 | 161.5 | -89.3 | 168.6 | 0 | 0 | 0 | 107.7 | ||||
| 304 | V | 37.4 | Very low | 40.3 | Very low | 114 Ų | 114 | 132 Ų | 132 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | -140.4 | 103.3 | 167.7 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | F302 P306 | F302-V304 HydrophobicContact CD1-CG2 4.27Å; V304-P306 WeakPolarHBondContact O-CD 3.42Å | ||
| 305 | T | 40.5 | Very low | 39.4 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -107.7 | 111.9 | 174.5 | -14.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 306 | P | 43.5 | Very low | 38.4 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | trans | -134.6 | 160.1 | 156.2 | 37.2 | -23 | 0 | 0 | 0 | 111.4 | V304 | V304-P306 WeakPolarHBondContact O-CD 3.42Š| ||
| 307 | S | 32.5 | Very low | 37.7 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | cis | -167.8 | 146.3 | -26.7 | 47.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 308 | C | 34.5 | Very low | 37 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | -145 | 85.5 | 166.6 | -159.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 309 | D | 34.7 | Very low | 36.6 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | -58.5 | 163.5 | 153.5 | -55.3 | -75.8 | 0 | 0 | 0 | 109.4 | ||||
| 310 | Q | 42.2 | Very low | 36.4 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | cis | -153.5 | 149.9 | 17.6 | -152.8 | 158.9 | 53.5 | 0 | 0 | 110.6 | ||||
| 311 | I | 36.9 | Very low | 36.1 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -118.6 | 129.6 | 172.7 | -62.4 | 173.3 | 0 | 0 | 0 | 108.8 | ||||
| 312 | S | 33.1 | Very low | 35.8 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -171 | 144.7 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 313 | H | 34.9 | Very low | 35.5 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | cis | -156.2 | 157.2 | -31.3 | -170.4 | -86.9 | 0 | 0 | 0 | 107.2 | ||||
| 314 | V | 37.3 | Very low | 35 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | trans | -78.7 | 144.1 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | V316 | V314-V316 HydrophobicContact CG1-CG2 4.04Š| ||
| 315 | V | 38.6 | Very low | 34.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -135.3 | 136.8 | 162.1 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 316 | V | 36.6 | Very low | 33.9 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | trans | -139.7 | 129.3 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | V314 | V314-V316 HydrophobicContact CG1-CG2 4.04Š| ||
| 317 | C | 30.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -167 | 119.3 | 151.9 | -92.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 318 | E | 33 | Very low | 32.8 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | 82.1 | 141.4 | 71.2 | -72.9 | -147.8 | 154.6 | 0 | 0 | 114.1 | |||||
| 319 | D | 34.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | trans | -90.4 | 134.9 | -160.5 | 171.8 | 43.2 | 0 | 0 | 0 | 112.7 | ||||
| 320 | W | 33.3 | Very low | 32.8 | Very low | 245 Ų | 245 | 138.1 Ų | 138.1 | 93% | 0.928 | 79% | 0.786 | S | S | * | * | trans | -144.7 | 134.2 | 159 | -89.1 | 94.3 | 0 | 0 | 0 | 112.1 | ||||
| 321 | N | 28.9 | Very low | 32.2 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | -89.3 | 128.9 | 176.8 | -55.7 | -96.5 | 0 | 0 | 0 | 109.4 | ||||
| 322 | E | 31.4 | Very low | 31.8 | Very low | 202 Ų | 202 | 133.9 Ų | 133.9 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | trans | -164.3 | 167.9 | 133.9 | -117.3 | 177.5 | 173.8 | 0 | 0 | 112.6 | ||||
| 323 | A | 30.6 | Very low | 31.6 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -91.6 | 155.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 324 | V | 30 | Very low | 31.4 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | -172.6 | 146.3 | 117.7 | 141.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 325 | S | 26.3 | Very low | 31.1 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -57.9 | 146.2 | 176.2 | -41.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 326 | S | 27.4 | Very low | 31 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -163.1 | 165.5 | 132 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 327 | S | 27.4 | Very low | 30.7 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -81.1 | 147.8 | -168.4 | 50 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 328 | S | 26.6 | Very low | 30.8 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | 14.2 | 152.7 | 120.6 | -47.4 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 329 | P | 42.1 | Very low | 30.5 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | cis | -151.5 | 176.3 | 33.9 | 39.9 | -18.2 | 0 | 0 | 0 | 119.5 | ||||
| 330 | T | 27.7 | Very low | 30.1 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | 67.6 | 150 | 155.6 | 26.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 331 | S | 29.5 | Very low | 29.9 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | cis | -149.2 | 143.6 | 6.1 | -86.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 332 | I | 27.1 | Very low | 29.7 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 33.3 | 114.1 | 138.4 | -50.4 | 166.3 | 0 | 0 | 0 | 119.6 | ||||
| 333 | A | 28.6 | Very low | 29.7 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | 176.9 | 133.2 | 118.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 334 | T | 30.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | 37.9 | 98.5 | 148.1 | 54.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 335 | S | 30.8 | Very low | 29.8 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | 50.8 | 157.5 | 113.3 | 69.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 336 | P | 36.9 | Very low | 29.9 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | cis | -140 | 131.5 | -36.5 | 35.2 | -17 | 0 | 0 | 0 | 113.7 | ||||
| 337 | L | 30.5 | Very low | 29.9 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -137.2 | 138.1 | 165.8 | -88.9 | 177.2 | 0 | 0 | 0 | 114.3 | H339 | L337-H339 PolarHBondContact O-N 3.04Š| ||
| 338 | L | 32.4 | Very low | 30 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -17.9 | 110.2 | 173.2 | -61.4 | 167.7 | 0 | 0 | 0 | 116.8 | ||||
| 339 | H | 26.3 | Very low | 30.1 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -132.4 | 120.4 | 154.7 | -107.8 | -83.3 | 0 | 0 | 0 | 110.7 | L337 H341 | L337-H339 PolarHBondContact O-N 3.04Å; H339-H341 PolarHBondContact O-N 3.32Å | ||
| 340 | F | 27.4 | Very low | 29.4 | Very low | 215 Ų | 215 | 142.1 Ų | 142.1 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | trans | -67.8 | 117.3 | 154.5 | -84.4 | -93 | 0 | 0 | 0 | 107.3 | ||||
| 341 | H | 28.9 | Very low | 29.5 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -119.3 | 122.3 | 166.6 | -139.2 | -67.2 | 0 | 0 | 0 | 112.2 | H339 | H339-H341 PolarHBondContact O-N 3.32Š| ||
| 342 | R | 25.8 | Very low | 29.5 | Very low | 230 Ų | 230 | 142.9 Ų | 142.9 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66 | 130.3 | 167.4 | -168.7 | -176.3 | -154.3 | 153.2 | 2.6 | 108.2 | ||
| 343 | Y | 31 | Very low | 29.6 | Very low | 219 Ų | 219 | 142.5 Ų | 142.5 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77 | 149.9 | 175.7 | -88 | -89.9 | 0 | 0 | 0 | 111.9 | ||
| 344 | P | 32.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 170.2 | -171.6 | 39.1 | -36 | 0 | 0 | 0 | 113.6 | ||
| 345 | T | 28.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 136.7 | 167.7 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 346 | S | 30.1 | Very low | 29.5 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 143.4 | 178.1 | 177.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 347 | C | 26.1 | Very low | 29.2 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | trans | -15.1 | 151.6 | 136.8 | -52.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 348 | S | 29.8 | Very low | 29.1 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | cis | -172.3 | -166 | -2.4 | 49.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 349 | N | 28.1 | Very low | 29 | Very low | 137 Ų | 137 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | cis | -162.8 | -177.7 | 10.4 | -151.2 | -3.1 | 0 | 0 | 0 | 112.6 | ||||
| 350 | N | 29.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | trans | 75.4 | 123.8 | 157.2 | -68.5 | -0.2 | 0 | 0 | 0 | 121.4 | ||||
| 351 | N | 29.1 | Very low | 29.4 | Very low | 163 Ų | 163 | 141 Ų | 141 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 50 | 114.3 | 145.8 | -62 | 3.5 | 0 | 0 | 0 | 121.1 | ||||
| 352 | G | 29 | Very low | 29.5 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 160.8 | 78.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 353 | L | 29.8 | Very low | 29.9 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 45.2 | 98.4 | 141.4 | -142.8 | 74.9 | 0 | 0 | 0 | 121.5 | ||||
| 354 | I | 29 | Very low | 29.8 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 64% | 0.641 | 78% | 0.784 | S | S | * | * | trans | 72.9 | 140 | 130.8 | -66.1 | 178.5 | 0 | 0 | 0 | 121.5 | ||||
| 355 | Y | 29.9 | Very low | 29.8 | Very low | 212 Ų | 212 | 133.4 Ų | 133.4 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | 57.8 | 106.8 | 175.3 | -59.7 | -48 | 0 | 0 | 0 | 117.5 | ||||
| 356 | N | 29.8 | Very low | 30 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | 81.5 | 95.8 | 49 | -171.7 | 40.9 | 0 | 0 | 0 | 115 | ||||
| 357 | S | 30.8 | Very low | 30.2 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | -173.7 | 131.2 | 110.4 | -76.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 358 | S | 28.2 | Very low | 30.5 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -97.3 | 155.2 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 359 | S | 30.1 | Very low | 30.8 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -162.7 | 106.2 | 140.4 | -85.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 360 | L | 31 | Very low | 30.8 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -87.5 | 146.4 | 152.8 | -75.9 | 162.8 | 0 | 0 | 0 | 107.9 | ||||
| 361 | S | 30 | Very low | 31 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -149.8 | 148.1 | 152.8 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 362 | S | 31.7 | Very low | 31.1 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -136.1 | 119.1 | -179.3 | -66.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 363 | F | 34.7 | Very low | 31.2 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | 34.3 | 126.6 | 160.9 | -57.3 | -76.9 | 0 | 0 | 0 | 120.7 | ||||
| 364 | S | 27.4 | Very low | 31.3 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -144.3 | 145.5 | 145.4 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 365 | N | 33.7 | Very low | 31.3 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -121.2 | 112.7 | 176.8 | -74 | -42.5 | 0 | 0 | 0 | 109.4 | ||||
| 366 | V | 33.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | trans | -140.6 | 146.2 | 165 | -174.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 367 | G | 32.4 | Very low | 31.3 | Very low | 57 Ų | 57 | 131 Ų | 131 | 59% | 0.588 | 83% | 0.828 | S | S | * | * | trans | -126.2 | -153.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 368 | Y | 34.3 | Very low | 31.3 | Very low | 235 Ų | 235 | 131.8 Ų | 131.8 | 92% | 0.922 | 83% | 0.834 | S | S | * | * | trans | 87.8 | 155.5 | -176.1 | -63.2 | -79 | 0 | 0 | 0 | 117.1 | ||||
| 369 | F | 34.8 | Very low | 31.5 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | trans | -91.3 | 141.4 | -164.2 | -67.1 | -110.8 | 0 | 0 | 0 | 112.3 | ||||
| 370 | M | 28.9 | Very low | 31.6 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | -170.8 | 159.9 | 115.3 | -103 | -61.1 | 169.9 | 0 | 0 | 111.6 | |||||
| 371 | S | 33 | Very low | 31.7 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -90.2 | 147.1 | -178.8 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 372 | S | 30.1 | Very low | 31.7 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 92% | 0.923 | 81% | 0.814 | S | S | * | * | trans | -145.2 | 130.2 | 161.4 | -78.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 373 | S | 31.8 | Very low | 31.6 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -114.9 | 130.4 | -170.2 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 374 | S | 32.9 | Very low | 31.3 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -166.6 | 132.8 | 160.3 | -79.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 375 | G | 29.1 | Very low | 32.5 | Very low | 77 Ų | 77 | 131 Ų | 131 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | cis | -174.7 | 157.6 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 376 | G | 30.3 | Very low | 32.2 | Very low | 84 Ų | 84 | 128 Ų | 128 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | 86.4 | 127 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 377 | G | 28.7 | Very low | 31.9 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | cis | 100.9 | 119.5 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 378 | S | 31.7 | Very low | 31.7 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | cis | -152.4 | 176.2 | 11.1 | -144.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 379 | A | 32.3 | Very low | 31.3 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | cis | -154 | -150.4 | 17.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 380 | R | 31.6 | Very low | 30.9 | Very low | 217 Ų | 217 | 129.7 Ų | 129.7 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -77.8 | 167 | 177.9 | -87.2 | 174.8 | 162.6 | 139.1 | -3.8 | 113.2 | ||||
| 381 | T | 33.2 | Very low | 30.8 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | cis | -138 | 138.8 | 31.6 | 47 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 382 | D | 28.9 | Very low | 30.6 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -19.1 | 161.8 | 134.9 | -76.3 | -71.9 | 0 | 0 | 0 | 119.5 | ||||
| 383 | S | 29.5 | Very low | 30.5 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | cis | -166.6 | 149.8 | -7.2 | -121.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 384 | N | 28.6 | Very low | 30.4 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | 55.9 | 165.5 | 146.7 | -99.5 | -0.1 | 0 | 0 | 0 | 124.2 | ||||
| 385 | P | 52.3 | Low | 30.5 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | trans | -120.3 | 162.9 | -165.6 | 43.5 | -33.3 | 0 | 0 | 0 | 117.3 | ||||
| 386 | A | 28 | Very low | 30.4 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -177.4 | 158 | 171 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 387 | Y | 27.4 | Very low | 30.5 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | -167.1 | 158.6 | -19.3 | -133.4 | -84.5 | 0 | 0 | 0 | 107.7 | ||||
| 388 | F | 28.6 | Very low | 31.3 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 63.1 | 146.7 | 174.1 | -50.7 | -70.2 | 0 | 0 | 0 | 117.1 | ||||
| 389 | A | 26.3 | Very low | 31.2 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | cis | 108.2 | 110.7 | 5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 390 | Y | 25 | Very low | 31.2 | Very low | 218 Ų | 218 | 143.2 Ų | 143.2 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | 61.5 | 160.7 | 172.9 | -72.1 | -94.6 | 0 | 0 | 0 | 115.6 | ||||
| 391 | Q | 28.2 | Very low | 31.2 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | cis | -147.3 | 123.9 | 15.7 | -162.4 | 159.3 | -36.9 | 0 | 0 | 108.8 | ||||
| 392 | D | 28.3 | Very low | 30.9 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | 57.3 | 136.4 | 95.6 | -163.9 | 40.2 | 0 | 0 | 0 | 118.4 | |||||
| 393 | N | 28.3 | Very low | 31 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 56% | 0.556 | 75% | 0.746 | S | S | * | * | trans | 56.1 | 121.7 | 163.8 | -100.6 | -57.6 | 0 | 0 | 0 | 121.7 | ||||
| 394 | F | 29.1 | Very low | 30.9 | Very low | 216 Ų | 216 | 143.1 Ų | 143.1 | 95% | 0.947 | 75% | 0.754 | S | S | * | * | -152.8 | 132.4 | 125 | -98.4 | -67.9 | 0 | 0 | 0 | 111.1 | |||||
| 395 | Q | 34.3 | Very low | 31 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | trans | -99 | 144.9 | 165.3 | -63.5 | 176 | -8.4 | 0 | 0 | 109.1 | ||||
| 396 | N | 28.4 | Very low | 31 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | 158 | 142.6 | 135.5 | -79.9 | -26.8 | 0 | 0 | 0 | 113.6 | ||||
| 397 | A | 32.5 | Very low | 31 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -100.2 | -180 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 398 | P | 45.6 | Very low | 31 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -148 | -167.7 | 18.9 | 34 | -7.1 | 0 | 0 | 0 | 117.5 | ||||
| 399 | H | 30 | Very low | 31.1 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 74.3 | 102.2 | 155.8 | -65.7 | -54.3 | 0 | 0 | 0 | 124.1 | ||||
| 400 | I | 30.3 | Very low | 32.2 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | 35.4 | 122.6 | 117.6 | -48.3 | 167.7 | 0 | 0 | 0 | 120 | |||||
| 401 | H | 31.9 | Very low | 32.4 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | 178.2 | 144.8 | 114.3 | -104.5 | -70.5 | 0 | 0 | 0 | 116.9 | |||||
| 402 | G | 26.7 | Very low | 32.4 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 98.8 | 150.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 403 | L | 31.7 | Very low | 32.3 | Very low | 135 Ų | 135 | 137 Ų | 137 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | cis | 163 | 117.8 | -41 | -99.8 | 167.3 | 0 | 0 | 0 | 108.5 | F405 | L403-F405 HydrophobicContact CD2-CE2 4.28Š| ||
| 404 | H | 27.4 | Very low | 32.4 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | -179.9 | 122.2 | 125.8 | -111 | -94.4 | 0 | 0 | 0 | 115.7 | |||||
| 405 | F | 31.4 | Very low | 33.1 | Very low | 167 Ų | 167 | 138 Ų | 138 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -20.9 | 178.3 | 150.5 | -72 | -73 | 0 | 0 | 0 | 122.5 | L403 | L403-F405 HydrophobicContact CD2-CE2 4.28Š| ||
| 406 | P | 51.8 | Low | 32.9 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | -140.3 | 170.5 | -17.2 | 30.5 | -9.9 | 0 | 0 | 0 | 117 | ||||
| 407 | L | 28.1 | Very low | 32.9 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | -164.6 | -179.3 | 121.9 | -132.2 | 71.8 | 0 | 0 | 0 | 112.2 | |||||
| 408 | C | 27.8 | Very low | 32.8 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -122.9 | 160.9 | -155.3 | -55.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 409 | D | 29.4 | Very low | 32 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -66.9 | -175.4 | 162.7 | -104 | -44.9 | 0 | 0 | 0 | 113.7 | ||||
| 410 | P | 50 | Low | 32 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -143.9 | 172.9 | 17 | 27.6 | -1.4 | 0 | 0 | 0 | 119 | ||||
| 411 | L | 28.8 | Very low | 31.9 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | 178 | 170.5 | 114.5 | -117.8 | 88.8 | 0 | 0 | 0 | 115 | |||||
| 412 | A | 29.4 | Very low | 31.9 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | -99.5 | 164.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 413 | S | 25.1 | Very low | 32 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | -179.3 | 173.2 | 74.5 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 414 | Y | 30.3 | Very low | 32.2 | Very low | 214 Ų | 214 | 148.3 Ų | 148.3 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -99.3 | 159.6 | 172.3 | -107.9 | -88.9 | 0 | 0 | 0 | 110.4 | ||||
| 415 | P | 44.4 | Very low | 32.3 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | -151.7 | -168.6 | 83.7 | 42.5 | -22.7 | 0 | 0 | 0 | 116.2 | |||||
| 416 | E | 30.4 | Very low | 32.6 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -123 | 169.4 | -176.8 | -171.9 | -178.8 | 164.3 | 0 | 0 | 110.8 | ||||
| 417 | Y | 28 | Very low | 32.5 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 105.4 | 145 | 151 | -134.8 | -114.5 | 0 | 0 | 0 | 121.8 | ||||
| 418 | E | 30.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | 65.2 | 89.7 | 157.5 | -100.4 | 173.2 | -176.3 | 0 | 0 | 126.7 | ||||
| 419 | S | 29.2 | Very low | 33.1 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | 76.1 | 156.4 | 111.7 | 85.5 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 420 | L | 29.6 | Very low | 33.6 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | 86.7 | 115.9 | 153 | -69.7 | 170.6 | 0 | 0 | 0 | 123.4 | ||||
| 421 | K | 28.3 | Very low | 33 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | trans | 70.3 | 152 | 152 | -66.6 | 170.9 | 179.2 | 169.1 | 0 | 116.7 | ||||
| 422 | R | 30.9 | Very low | 33.2 | Very low | 211 Ų | 211 | 142.1 Ų | 142.1 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | cis | -153.4 | 176.4 | 11 | -143.1 | -172.6 | -148.4 | 125.5 | -5.4 | 111.3 | ||||
| 423 | E | 30 | Very low | 33.7 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | trans | -32.7 | 156.5 | 165.4 | -96.6 | 69.5 | -169.1 | 0 | 0 | 117.6 | E425 | E423-E425 HydrophobicContact CB-CG 4.35Å; E423-E425 HydrophobicContact CG-CG 4.04Å | ||
| 424 | P | 34.9 | Very low | 34.3 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | -111.8 | 152.2 | 100.4 | 33.3 | -36.3 | 0 | 0 | 0 | 114 | |||||
| 425 | E | 30.7 | Very low | 34.9 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -86.3 | 160.6 | -173 | -65.1 | 173.7 | 120.2 | 0 | 0 | 114.6 | E423 | E423-E425 HydrophobicContact CB-CG 4.35Å; E423-E425 HydrophobicContact CG-CG 4.04Å | ||
| 426 | S | 36.3 | Very low | 35.2 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -43.5 | 165.7 | 161 | 26.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 427 | P | 50.2 | Low | 36 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | cis | -142.9 | -168.4 | 39.9 | 47.5 | -28.4 | 0 | 0 | 0 | 114.5 | ||||
| 428 | D | 30.7 | Very low | 36.9 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | cis | -150.1 | 155.7 | 4.3 | -163.4 | 2.4 | 0 | 0 | 0 | 110.6 | ||||
| 429 | S | 38.5 | Very low | 37.5 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | 145.1 | 94.2 | 158.1 | -72.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 430 | G | 40.2 | Very low | 38.3 | Very low | 66 Ų | 66 | 140.5 Ų | 140.5 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | -95.4 | 137.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 431 | F | 37.1 | Very low | 39.2 | Very low | 217 Ų | 217 | 138.3 Ų | 138.3 | 95% | 0.952 | 73% | 0.729 | S | S | * | * | trans | -137.4 | 129.3 | 145.7 | -96.2 | -80.9 | 0 | 0 | 0 | 108.4 | ||||
| 432 | G | 33.3 | Very low | 39.9 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 134.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 433 | I | 38.6 | Very low | 40.5 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 117.5 | 166.5 | -61.7 | 175.9 | 0 | 0 | 0 | 108.3 | ||
| 434 | M | 38.4 | Very low | 40.9 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 66% | 0.66 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 136.9 | 173.1 | -175.1 | 176.3 | 175.9 | 0 | 0 | 109.9 | E438 | M434-E438 HydrophobicContact CE-CB 4.31Å; M434-E438 WeakPolarHBondContact CE-OE2 3.43Å |
| 435 | K | 42.7 | Very low | 41.2 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 73% | 0.73 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -80 | 140.8 | -177.8 | -70.4 | -177.6 | 175.3 | -179.6 | 0 | 112 | D437 | K435-D437 PolarHBondContact O-N 2.96Š|
| 436 | E | 50 | Low | 41.9 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 67% | 0.673 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -16.7 | 178.4 | -99.5 | 81.1 | -175 | 0 | 0 | 117.2 | ||
| 437 | D | 47.8 | Very low | 42.1 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 57% | 0.572 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -25.1 | -169.1 | -63.8 | -46.4 | 0 | 0 | 0 | 114 | K435 K440 | K435-D437 PolarHBondContact O-N 2.96Å; D437-K440 PolarHBondContact O-N 3.16Å; D437-K440 IonicContact OD1-NZ 3.38Å; D437-K440 PolarHBondContact OD1-NZ 3.11Å |
| 438 | E | 46.4 | Very low | 41.6 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.6 | -26.6 | -176.8 | -158.4 | 164.3 | -141.6 | 0 | 0 | 113 | M434 K440 T442 | M434-E438 HydrophobicContact CE-CB 4.31Å; M434-E438 WeakPolarHBondContact CE-OE2 3.43Å; E438-K440 VanDerWaalsContact C-N 3.31Å; E438-K440 PolarHBondContact O-N 3.18Å; E438-T442 PolarHBondContact O-N 2.76Å; E438-T442 PolarHBondContact O-OG1 3.45Å |
| 439 | M | 44.2 | Very low | 41.9 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 70% | 0.7 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.5 | -22.3 | 177.1 | -168.4 | 169.4 | 69.7 | 0 | 0 | 113.1 | T442 W443 | M439-T442 WeakPolarHBondContact CA-OG1 3.35Å; M439-T442 PolarHBondContact O-OG1 3.49Å; M439-W443 PolarHBondContact O-N 3.09Å |
| 440 | K | 46.3 | Very low | 42 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -76.9 | -34 | 177.9 | -69.1 | 169.8 | -168.6 | 149.8 | 0 | 112 | D437 E438 R444 | D437-K440 PolarHBondContact O-N 3.16Å; D437-K440 IonicContact OD1-NZ 3.38Å; D437-K440 PolarHBondContact OD1-NZ 3.11Å; E438-K440 VanDerWaalsContact C-N 3.31Å; E438-K440 PolarHBondContact O-N 3.18Å; K440-R444 PolarHBondContact O-N 2.91Å |
| 441 | E | 46.8 | Very low | 41.9 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 45% | 0.449 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -77.3 | -38.9 | -178.4 | -144.4 | 59.7 | -119 | 0 | 0 | 111.6 | W443 R444 V445 | E441-W443 VanDerWaalsContact C-N 3.32Å; E441-W443 PolarHBondContact O-N 3.07Å; E441-R444 PolarHBondContact O-N 2.96Å; E441-R444 VanDerWaalsContact O-N 3.16Å; E441-R444 IonicContact OE1-CZ 3.61Å; E441-R444 IonicContact OE1-NH1 3.86Å; E441-R444 PolarHBondContact OE1-NH1 2.91Å; E441-R444 IonicContact OE2-CZ 2.8Å; E441-R444 IonicContact OE2-NH1 2.72Å; E441-R444 PolarHBondContact OE2-NH1 3.09Å; E441-R444 IonicContact OE2-NH2 3.34Å; E441-V445 WeakPolarHBondContact O-CG2 3.04Å; E441-V445 PolarHBondContact O-N 3.38Å |
| 442 | T | 43.6 | Very low | 41.6 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 49% | 0.485 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -59.1 | -41.4 | 170.9 | 29.5 | 0 | 0 | 0 | 0 | 112.2 | E438 M439 R444 V445 I446 | E438-T442 PolarHBondContact O-N 2.76Å; E438-T442 PolarHBondContact O-OG1 3.45Å; M439-T442 WeakPolarHBondContact CA-OG1 3.35Å; M439-T442 PolarHBondContact O-OG1 3.49Å; T442-R444 PolarHBondContact O-N 2.92Å; T442-V445 PolarHBondContact O-N 3.37Å; T442-I446 WeakPolarHBondContact O-CG1 3.31Å; T442-I446 PolarHBondContact O-N 3.36Å |
| 443 | W | 43.4 | Very low | 41.4 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 71% | 0.705 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64.3 | -37.9 | 174.6 | -172.1 | -99.5 | 0 | 0 | 0 | 113 | M439 E441 S447 | M439-W443 PolarHBondContact O-N 3.09Å; E441-W443 VanDerWaalsContact C-N 3.32Å; E441-W443 PolarHBondContact O-N 3.07Å; W443-S447 VanDerWaalsContact O-CB 3.32Å; W443-S447 WeakPolarHBondContact O-CB 3.33Å; W443-S447 PolarHBondContact O-N 3.4Å; W443-S447 VanDerWaalsContact O-N 3.12Å; W443-S447 PolarHBondContact O-OG 3.21Å |
| 444 | R | 39.1 | Very low | 41.1 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 55% | 0.551 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.9 | -38.7 | 174 | -72.6 | -163.4 | -151.3 | 122.3 | 9.5 | 112.9 | K440 E441 T442 R448 | K440-R444 PolarHBondContact O-N 2.91Å; E441-R444 PolarHBondContact O-N 2.96Å; E441-R444 VanDerWaalsContact O-N 3.16Å; E441-R444 IonicContact OE1-CZ 3.61Å; E441-R444 IonicContact OE1-NH1 3.86Å; E441-R444 PolarHBondContact OE1-NH1 2.91Å; E441-R444 IonicContact OE2-CZ 2.8Å; E441-R444 IonicContact OE2-NH1 2.72Å; E441-R444 PolarHBondContact OE2-NH1 3.09Å; E441-R444 IonicContact OE2-NH2 3.34Å; T442-R444 PolarHBondContact O-N 2.92Å; R444-R448 PolarHBondContact O-N 2.67Å |
| 445 | V | 41.8 | Very low | 40.7 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 57% | 0.57 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66.7 | -50.6 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | E441 T442 S447 R448 | E441-V445 WeakPolarHBondContact O-CG2 3.04Å; E441-V445 PolarHBondContact O-N 3.38Å; T442-V445 PolarHBondContact O-N 3.37Å; V445-S447 PolarHBondContact O-N 2.77Å; V445-R448 PolarHBondContact O-N 2.66Å |
| 446 | I | 45 | Very low | 40.1 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 63% | 0.631 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -60.3 | -33.4 | 179 | -65.9 | 166.6 | 0 | 0 | 0 | 111.4 | T442 R448 | T442-I446 WeakPolarHBondContact O-CG1 3.31Å; T442-I446 PolarHBondContact O-N 3.36Å; I446-R448 VanDerWaalsContact C-N 3.26Å; I446-R448 PolarHBondContact O-N 3.45Å |
| 447 | S | 41.1 | Very low | 39.3 | Very low | 77 Ų | 77 | 134 Ų | 134 | 54% | 0.538 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -1.6 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 114.6 | W443 V445 | W443-S447 VanDerWaalsContact O-CB 3.32Å; W443-S447 WeakPolarHBondContact O-CB 3.33Å; W443-S447 PolarHBondContact O-N 3.4Å; W443-S447 VanDerWaalsContact O-N 3.12Å; W443-S447 PolarHBondContact O-OG 3.21Å; V445-S447 PolarHBondContact O-N 2.77Å |
| 448 | R | 38.7 | Very low | 38.5 | Very low | 214 Ų | 214 | 134.5 Ų | 134.5 | 81% | 0.808 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | 4.3 | -172.7 | -133.2 | -169.2 | 84.2 | -178.9 | 8.1 | 115.6 | R444 V445 I446 | R444-R448 PolarHBondContact O-N 2.67Å; V445-R448 PolarHBondContact O-N 2.66Å; I446-R448 VanDerWaalsContact C-N 3.26Å; I446-R448 PolarHBondContact O-N 3.45Å |
| 449 | E | 36.6 | Very low | 37.7 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -111 | 15.1 | -177.5 | -156.2 | 158.2 | -137.6 | 0 | 0 | 112.2 | ||
| 450 | G | 41 | Very low | 38.1 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -125.3 | -0 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 451 | E | 37.8 | Very low | 37.3 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 72% | 0.717 | S | S | * | * | trans | -151.3 | 68.9 | -178.9 | -136.2 | 170.4 | 158.2 | 0 | 0 | 115 | ||||
| 452 | E | 30.6 | Very low | 36.7 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -131.6 | 135.1 | 155.3 | -75.6 | -173.1 | -158 | 0 | 0 | 108 | ||||
| 453 | A | 29.9 | Very low | 36 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | cis | -159.3 | 153 | -9.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 454 | L | 32.3 | Very low | 35.5 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | trans | -153.4 | 120.8 | 138.6 | -141.3 | 145.8 | 0 | 0 | 0 | 110.3 | ||||
| 455 | N | 30.6 | Very low | 35.8 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | trans | -111.2 | 132.6 | -178.7 | 166 | 67.9 | 0 | 0 | 0 | 108.8 | ||||
| 456 | D | 29.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 146 Ų | 146 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | -160.7 | 152.9 | 119.5 | -125.9 | 1.9 | 0 | 0 | 0 | 117.6 | |||||
| 457 | H | 33 | Very low | 34.5 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | trans | -25.2 | 132.4 | 175.5 | -59.2 | -56 | 0 | 0 | 0 | 120.4 | ||||
| 458 | S | 30.1 | Very low | 34 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 163.1 | 164.5 | 94.2 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 459 | S | 31.1 | Very low | 34 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -149.3 | 174.8 | -176.2 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 460 | P | 51.6 | Low | 33.6 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -130.8 | 151.9 | -59 | 37.1 | -23.7 | 0 | 0 | 0 | 111.8 | |||||
| 461 | L | 29.9 | Very low | 33.1 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -139.5 | 139.9 | 169 | -77.3 | 178.6 | 0 | 0 | 0 | 113.5 | ||||
| 462 | F | 33.7 | Very low | 33.2 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -69.1 | 149.3 | 163 | -73.9 | -111.9 | 0 | 0 | 0 | 109.8 | ||||
| 463 | F | 29.9 | Very low | 33.5 | Very low | 203 Ų | 203 | 144.6 Ų | 144.6 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | -177.4 | 128.2 | 124.4 | -90.7 | -58 | 0 | 0 | 0 | 112.4 | |||||
| 464 | L | 32 | Very low | 33.5 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -127.5 | 156.9 | 150.2 | -89.9 | 169.9 | 0 | 0 | 0 | 105.2 | ||||
| 465 | P | 45.9 | Very low | 33.4 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -137.5 | -175.4 | 29.4 | 43.2 | -27.2 | 0 | 0 | 0 | 115.2 | ||||
| 466 | L | 28.5 | Very low | 33.7 | Very low | 168 Ų | 168 | 143 Ų | 143 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -161.8 | 143.9 | 140.4 | -110.1 | 164.8 | 0 | 0 | 0 | 111.9 | ||||
| 467 | H | 30.6 | Very low | 33.7 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -93.5 | 153 | 170.9 | -80.2 | -115.9 | 0 | 0 | 0 | 110.8 | ||||
| 468 | L | 30 | Very low | 33.5 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | -176.2 | -179.7 | 119.9 | -118.1 | 70.3 | 0 | 0 | 0 | 110.9 | |||||
| 469 | P | 38.3 | Very low | 33.5 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | -137.6 | 175.9 | -127.9 | 43.2 | -22.4 | 0 | 0 | 0 | 119.1 | |||||
| 470 | S | 29.5 | Very low | 34.2 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 79.6 | 127.5 | 139.8 | 69.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 471 | R | 31.2 | Very low | 33.1 | Very low | 245 Ų | 245 | 141.8 Ų | 141.8 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | 77.1 | 152.2 | 152.7 | -92.4 | -158.2 | 156.8 | 171.8 | -4.6 | 121.2 | ||||
| 472 | P | 39.2 | Very low | 33 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -106.3 | 169 | -166.2 | 42.2 | -36.5 | 0 | 0 | 0 | 114.4 | ||||
| 473 | P | 35.8 | Very low | 32.7 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 153.1 | 165.7 | 33 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 474 | S | 30.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 158.6 | 176 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 475 | S | 31.4 | Very low | 32.6 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 158.3 | 170.4 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 476 | P | 35.6 | Very low | 32.3 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -114.5 | 174.2 | 144.7 | 36.6 | -28.9 | 0 | 0 | 0 | 111.6 | ||||
| 477 | S | 29.3 | Very low | 32.3 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -150.3 | 166.6 | -176.8 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 478 | A | 30.1 | Very low | 32.2 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | trans | 76.8 | 106.9 | 166 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 479 | H | 30.5 | Very low | 32.1 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | 49.4 | 162.7 | 111.9 | -61.7 | -54.1 | 0 | 0 | 0 | 122.5 | |||||
| 480 | P | 45.6 | Very low | 31.7 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | cis | -138.3 | 168.7 | -28.6 | 35.2 | -17.4 | 0 | 0 | 0 | 115.7 | ||||
| 481 | S | 27.6 | Very low | 31.8 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -163.3 | 150.7 | 148.1 | -76.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 482 | T | 27.6 | Very low | 31.6 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | cis | 112.5 | 109.7 | -1.7 | -57.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 483 | L | 27.9 | Very low | 31.1 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | 62.2 | 149 | 176.6 | -101.1 | 61.7 | 0 | 0 | 0 | 115.3 | ||||
| 484 | T | 28.2 | Very low | 31 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | cis | -147.6 | 149.2 | 32.8 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 485 | Q | 31.7 | Very low | 31 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -104.3 | 154 | 165.2 | -128.8 | -171.1 | -16.2 | 0 | 0 | 108.4 | ||||
| 486 | P | 39.4 | Very low | 31.1 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | -154.3 | 172.1 | 69.4 | 42.2 | -22.8 | 0 | 0 | 0 | 117.5 | |||||
| 487 | S | 28.9 | Very low | 30.8 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 49.5 | 165 | 146 | -53.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 488 | E | 27.1 | Very low | 30.8 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | cis | -156.5 | 148.1 | 8.7 | -151.7 | 158.4 | -131.7 | 0 | 0 | 113.3 | ||||
| 489 | S | 29.3 | Very low | 30.8 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | 65.5 | 164.1 | 158.5 | 81 | 0 | 0 | 0 | 0 | 118 | ||||
| 490 | Q | 30.2 | Very low | 30.5 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | cis | -127.1 | 172.2 | 6.1 | -74.5 | -174.4 | -13 | 0 | 0 | 113.4 | ||||
| 491 | Q | 30.4 | Very low | 29.7 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -116.7 | 145.2 | -177.8 | 168.3 | -168.5 | 2.8 | 0 | 0 | 110.4 | ||||
| 492 | M | 27.8 | Very low | 29.8 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | -152 | 157.2 | 145.8 | -154.8 | 151.7 | -171.2 | 0 | 0 | 112.1 | ||||
| 493 | E | 28.2 | Very low | 30 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 66% | 0.659 | 80% | 0.797 | S | S | * | * | trans | -146.8 | -174.8 | -166.2 | -168.6 | -176.2 | 156.8 | 0 | 0 | 108.3 | ||||
| 494 | V | 33.1 | Very low | 30.1 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | 79.5 | 136.2 | 166.3 | -175.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 495 | A | 30.5 | Very low | 30.2 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | cis | -147.6 | 175.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 496 | E | 34.1 | Very low | 30.1 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -77.8 | 162.3 | 162.2 | -52.6 | 172.5 | 121.5 | 0 | 0 | 112.8 | ||||
| 497 | T | 29 | Very low | 30.3 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 96% | 0.963 | 80% | 0.803 | S | S | * | * | trans | -164.8 | 171.3 | 133.1 | 3.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 498 | D | 30.1 | Very low | 30.2 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -124.5 | 177.8 | -158.1 | -174.3 | 23 | 0 | 0 | 0 | 113.3 | ||||
| 499 | T | 28.9 | Very low | 30.4 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 73.6 | 151.6 | 174.2 | 72.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 500 | G | 25.6 | Very low | 30.4 | Very low | 61 Ų | 61 | 131.6 Ų | 131.6 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | cis | 161.8 | 148.3 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 501 | S | 28.3 | Very low | 30.5 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | 65.5 | 171.7 | 175.6 | 85.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 502 | S | 28.9 | Very low | 30.6 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | cis | 177.8 | 126.1 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 503 | S | 31.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -169.8 | 152.3 | 158.1 | -86.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 504 | A | 30 | Very low | 30.8 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -128.4 | 151.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 505 | A | 30.7 | Very low | 30.6 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -149.6 | 145.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 506 | Q | 29.7 | Very low | 30.5 | Very low | 185 Ų | 185 | 130.1 Ų | 130.1 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -146.8 | 168.1 | -179.7 | -91.3 | -171.3 | -84.3 | 0 | 0 | 107.9 | ||||
| 507 | P | 43.3 | Very low | 30.5 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 68% | 0.682 | 83% | 0.827 | S | S | * | * | cis | -131 | -137.8 | -27.7 | 36.9 | -17.8 | 0 | 0 | 0 | 110.1 | ||||
| 508 | V | 28.3 | Very low | 30.6 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | 79.8 | 132 | 172.3 | -171.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 509 | A | 30.7 | Very low | 30.7 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | cis | -131.4 | 158.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 510 | G | 28.8 | Very low | 30.9 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -100 | 147.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 511 | A | 32.1 | Very low | 31.5 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | trans | -119.8 | 135.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | C513 | A511-C513 PolarHBondContact O-N 3.45Š| ||
| 512 | M | 32.2 | Very low | 31.9 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -80.4 | 111.5 | -169.2 | -66.3 | -178.1 | 179.8 | 0 | 0 | 113 | ||||
| 513 | C | 29.6 | Very low | 32.2 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -87.1 | 105.4 | 159.8 | -69.5 | 0 | 0 | 0 | 0 | 109.6 | A511 S515 | A511-C513 PolarHBondContact O-N 3.45Å; C513-S515 PolarHBondContact O-N 3.41Å | ||
| 514 | R | 31.9 | Very low | 32.3 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -78.2 | 109.9 | 173.1 | -85.4 | -177.7 | 167.9 | 167.4 | -3.9 | 110.5 | S516 | R514-S516 PolarHBondContact O-N 3.41Š| ||
| 515 | S | 27.8 | Very low | 33.1 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -65.8 | 123.1 | 164 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | C513 | C513-S515 PolarHBondContact O-N 3.41Š| ||
| 516 | S | 28.3 | Very low | 33.5 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -101.1 | 85.8 | 171.3 | -168.2 | 0 | 0 | 0 | 0 | 110.1 | R514 M518 | R514-S516 PolarHBondContact O-N 3.41Å; S516-M518 PolarHBondContact O-N 3.46Å | ||
| 517 | S | 34.6 | Very low | 34.3 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | trans | -86.5 | 92.9 | 171.7 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 518 | M | 31.8 | Very low | 34.8 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | -84.5 | 121.3 | 176.5 | -160.5 | 171.5 | 82.4 | 0 | 0 | 110.2 | S516 | S516-M518 PolarHBondContact O-N 3.46Š| ||
| 519 | P | 31.6 | Very low | 36.3 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 133.9 | 177 | 29.1 | -33.5 | 0 | 0 | 0 | 110.5 | E521 | P519-E521 PolarHBondContact O-N 3.16Š| ||
| 520 | V | 33.9 | Very low | 37.1 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -93.1 | 97.9 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 521 | E | 37.8 | Very low | 38 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 146.9 | 163.3 | -82.5 | -162.9 | 117.3 | 0 | 0 | 111.2 | P519 | P519-E521 PolarHBondContact O-N 3.16Š|
| 522 | P | 36.4 | Very low | 39.1 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74 | 143.9 | -176 | 29.8 | -35 | 0 | 0 | 0 | 113 | R524 | P522-R524 PolarHBondContact O-N 2.76Š|
| 523 | F | 34.5 | Very low | 40.2 | Very low | 211 Ų | 211 | 142.5 Ų | 142.5 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 121 | -176.8 | -70.6 | -96 | 0 | 0 | 0 | 114.6 | ||
| 524 | R | 34.6 | Very low | 41.3 | Very low | 247 Ų | 247 | 142.5 Ų | 142.5 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 122.4 | 154.4 | -85.6 | -169.5 | 169.2 | -159.6 | -1 | 110.2 | P522 G526 | P522-R524 PolarHBondContact O-N 2.76Å; R524-G526 PolarHBondContact O-N 3.25Å |
| 525 | T | 45.8 | Very low | 42.3 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 93% | 0.926 | 74% | 0.735 | S | S | * | * | trans | -77.5 | 110.2 | 169.7 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 526 | G | 40.3 | Very low | 43.5 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | trans | -160.1 | 145.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R524 | R524-G526 PolarHBondContact O-N 3.25Š| ||
| 527 | Y | 45.2 | Very low | 44.5 | Very low | 237 Ų | 237 | 139.1 Ų | 139.1 | 93% | 0.929 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 123.9 | 179.4 | -69.1 | -88.9 | 0 | 0 | 0 | 110.5 | ||
| 528 | L | 53.5 | Low | 44.8 | Very low | 122 Ų | 122 | 138 Ų | 138 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 138.7 | 170.3 | -80.7 | 162 | 0 | 0 | 0 | 110.6 | E532 | L528-E532 HydrophobicContact CD2-CB 3.95Š|
| 529 | T | 60.2 | Low | 45.1 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 47% | 0.466 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -78.3 | 153.2 | 172.9 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | K531 E532 L533 | T529-K531 PolarHBondContact O-N 3.36Å; T529-K531 VanDerWaalsContact O-N 3.09Å; T529-E532 WeakPolarHBondContact CA-OE2 3.42Å; T529-E532 VanDerWaalsContact CB-OE2 3.27Å; T529-E532 WeakPolarHBondContact CB-OE2 3.49Å; T529-E532 WeakPolarHBondContact CG2-OE2 3.16Å; T529-E532 PolarHBondContact N-OE2 2.92Å; T529-E532 PolarHBondContact O-N 3.43Å; T529-E532 WeakPolarHBondContact OG1-CG 3.39Å; T529-E532 PolarHBondContact OG1-OE2 2.84Å; T529-L533 PolarHBondContact O-N 3.03Å |
| 530 | L | 48 | Very low | 45.6 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -57 | -29.7 | -179.2 | -142.3 | 162.7 | 0 | 0 | 0 | 112.1 | Q534 | L530-Q534 PolarHBondContact O-N 3.16Å |
| 531 | K | 47.6 | Very low | 45.7 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -71.3 | -35.4 | 177.2 | -167.5 | 176.8 | -178.7 | -178.1 | 0 | 113.2 | T529 M535 | T529-K531 PolarHBondContact O-N 3.36Å; T529-K531 VanDerWaalsContact O-N 3.09Å; K531-M535 HydrophobicContact CG-CE 4.5Å; K531-M535 WeakPolarHBondContact O-CG 3.43Å; K531-M535 PolarHBondContact O-N 2.69Å |
| 532 | E | 54.6 | Low | 45.8 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 40% | 0.402 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -73.5 | -37.5 | 177.1 | -68.6 | 159.9 | 122.9 | 0 | 0 | 111.5 | L528 T529 Q534 M535 T536 | L528-E532 HydrophobicContact CD2-CB 3.95Å; T529-E532 WeakPolarHBondContact CA-OE2 3.42Å; T529-E532 VanDerWaalsContact CB-OE2 3.27Å; T529-E532 WeakPolarHBondContact CB-OE2 3.49Å; T529-E532 WeakPolarHBondContact CG2-OE2 3.16Å; T529-E532 PolarHBondContact N-OE2 2.92Å; T529-E532 PolarHBondContact O-N 3.43Å; T529-E532 WeakPolarHBondContact OG1-CG 3.39Å; T529-E532 PolarHBondContact OG1-OE2 2.84Å; E532-Q534 VanDerWaalsContact C-N 3.35Å; E532-Q534 PolarHBondContact O-N 2.78Å; E532-M535 PolarHBondContact O-N 3.16Å; E532-M535 VanDerWaalsContact O-N 3.13Å; E532-T536 PolarHBondContact O-N 2.78Å; E532-T536 VanDerWaalsContact O-N 3.1Å; E532-T536 PolarHBondContact O-OG1 2.94Å |
| 533 | L | 55.4 | Low | 46.2 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 49% | 0.492 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -63.5 | -40 | 177.4 | -155.3 | 160.1 | 0 | 0 | 0 | 111.3 | T529 M535 T536 F537 | T529-L533 PolarHBondContact O-N 3.03Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 3.48Å; L533-T536 PolarHBondContact O-N 2.91Å; L533-T536 PolarHBondContact O-OG1 2.99Å; L533-F537 HydrophobicContact CD2-CD2 4.45Å; L533-F537 PolarHBondContact O-N 2.94Å |
| 534 | Q | 53.1 | Low | 46.9 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -64.7 | -32.8 | 172.7 | -74.2 | -174.4 | -52.9 | 0 | 0 | 113.4 | L530 E532 S538 | L530-Q534 PolarHBondContact O-N 3.16Å; E532-Q534 VanDerWaalsContact C-N 3.35Å; E532-Q534 PolarHBondContact O-N 2.78Å; Q534-S538 WeakPolarHBondContact O-CB 3.48Å; Q534-S538 PolarHBondContact O-N 3.24Å |
| 535 | M | 53.8 | Low | 47.5 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 70% | 0.7 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -81 | -19.7 | 179.9 | -68.3 | -173 | -60.2 | 0 | 0 | 113.9 | K531 E532 L533 | K531-M535 HydrophobicContact CG-CE 4.5Å; K531-M535 WeakPolarHBondContact O-CG 3.43Å; K531-M535 PolarHBondContact O-N 2.69Å; E532-M535 PolarHBondContact O-N 3.16Å; E532-M535 VanDerWaalsContact O-N 3.13Å; L533-M535 VanDerWaalsContact C-N 3.33Å; L533-M535 PolarHBondContact O-N 3.48Å |
| 536 | T | 52.6 | Low | 47.6 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 58% | 0.583 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -92.8 | -25.6 | 179.2 | 32.6 | 0 | 0 | 0 | 0 | 114.3 | E532 L533 | E532-T536 PolarHBondContact O-N 2.78Å; E532-T536 VanDerWaalsContact O-N 3.1Å; E532-T536 PolarHBondContact O-OG1 2.94Å; L533-T536 PolarHBondContact O-N 2.91Å; L533-T536 PolarHBondContact O-OG1 2.99Å |
| 537 | F | 49.1 | Very low | 48.1 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -123.4 | 3.2 | -172.8 | -66.1 | -80.2 | 0 | 0 | 0 | 115.7 | L533 N539 | L533-F537 HydrophobicContact CD2-CD2 4.45Å; L533-F537 PolarHBondContact O-N 2.94Å; F537-N539 PolarHBondContact O-N 3.03Å |
| 538 | S | 40.4 | Very low | 48.3 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | trans | -78.7 | 62.8 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 113.3 | Q534 K540 | Q534-S538 WeakPolarHBondContact O-CB 3.48Å; Q534-S538 PolarHBondContact O-N 3.24Å; S538-K540 PolarHBondContact O-N 2.83Å | ||
| 539 | N | 38.1 | Very low | 47.9 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 78% | 0.781 | 68% | 0.682 | S | S | * | * | trans | -79.3 | 99.5 | 169.2 | -164.6 | 8.4 | 0 | 0 | 0 | 110.4 | F537 | F537-N539 PolarHBondContact O-N 3.03Š| ||
| 540 | K | 42.3 | Very low | 47 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 86% | 0.861 | 70% | 0.698 | S | S | * | * | trans | -103.1 | 102.4 | 171.9 | -90.3 | -167.9 | 172.7 | -172.9 | 0 | 110.3 | S538 | S538-K540 PolarHBondContact O-N 2.83Š| ||
| 541 | S | 36.2 | Very low | 46.9 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | trans | -131.7 | 130.5 | 158.9 | 55.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 542 | I | 39.4 | Very low | 46.8 | Very low | 243 Ų | 243 | 134.8 Ų | 134.8 | 100% | 1.246 | 70% | 0.699 | S | S | * | * | trans | -86.3 | 0 | 159.3 | -65.9 | 173.6 | 0 | 0 | 0 | 106.6 |
Retrieved 542 of 542 residues in 187 ms
(Link to these results)