| 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 | 54.4 | Low | 61.5 | Low | 187 Ų | 187 | 96 Ų | 96 | 92% | 0.921 | 54% | 0.543 | S | S | * | . | 0 | 118.7 | 0 | -65.3 | -63.6 | -100.7 | 0 | 0 | 107.2 | |||||
| 2 | S | 71 | Confident | 60.8 | Low | 64 Ų | 64 | 100.8 Ų | 100.8 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | trans | -71.3 | 148 | 177.7 | 168.9 | 0 | 0 | 0 | 0 | 109.5 | S4 T5 L6 | S2-S4 WeakPolarHBondContact CB-OG 3.13Å; S2-S4 PolarHBondContact O-N 3.04Å; S2-S4 PolarHBondContact OG-N 3.09Å; S2-S4 PolarHBondContact OG-OG 3.48Å; S2-T5 WeakPolarHBondContact CB-OG1 3.32Å; S2-T5 PolarHBondContact N-OG1 3.24Å; S2-T5 WeakPolarHBondContact O-CB 3.36Å; S2-T5 PolarHBondContact O-N 3.01Å; S2-T5 PolarHBondContact O-OG1 3.16Å; S2-L6 PolarHBondContact O-N 3.46Å | ||
| 3 | L | 70 | Confident | 59.6 | Low | 139 Ų | 139 | 104 Ų | 104 | 73% | 0.728 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -53.4 | -32.3 | 171.8 | -98.7 | 157.8 | 0 | 0 | 0 | 112.1 | T5 L6 L7 | L3-T5 VanDerWaalsContact C-N 3.31Å; L3-T5 PolarHBondContact O-N 3.25Å; L3-L6 PolarHBondContact O-N 3.31Å; L3-L7 PolarHBondContact O-N 3.34Å; L3-L7 VanDerWaalsContact O-N 3.12Å |
| 4 | S | 68.2 | Low | 58.7 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64 | -34.7 | 174.8 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | S2 S8 | S2-S4 WeakPolarHBondContact CB-OG 3.13Å; S2-S4 PolarHBondContact O-N 3.04Å; S2-S4 PolarHBondContact OG-N 3.09Å; S2-S4 PolarHBondContact OG-OG 3.48Å; S4-S8 PolarHBondContact O-N 3.49Å |
| 5 | T | 65.4 | Low | 57.6 | Low | 56 Ų | 56 | 106.8 Ų | 106.8 | 34% | 0.344 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -75.1 | -28.5 | 178.3 | -26.8 | 0 | 0 | 0 | 0 | 111.8 | S2 L3 S8 L9 | S2-T5 WeakPolarHBondContact CB-OG1 3.32Å; S2-T5 PolarHBondContact N-OG1 3.24Å; S2-T5 WeakPolarHBondContact O-CB 3.36Å; S2-T5 PolarHBondContact O-N 3.01Å; S2-T5 PolarHBondContact O-OG1 3.16Å; L3-T5 VanDerWaalsContact C-N 3.31Å; L3-T5 PolarHBondContact O-N 3.25Å; T5-S8 PolarHBondContact O-OG 3.3Å; T5-L9 WeakPolarHBondContact O-CD1 2.9Å; T5-L9 VanDerWaalsContact O-CG 3.26Å; T5-L9 WeakPolarHBondContact O-CG 3.49Å; T5-L9 PolarHBondContact O-N 3.3Å |
| 6 | L | 61 | Low | 56.3 | Low | 91 Ų | 91 | 107.7 Ų | 107.7 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74 | -38.5 | 174.2 | -76.6 | 171.1 | 0 | 0 | 0 | 111.6 | S2 L3 L9 V10 | S2-L6 PolarHBondContact O-N 3.46Å; L3-L6 PolarHBondContact O-N 3.31Å; L6-L9 PolarHBondContact O-N 3.15Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.05Å; L6-V10 VanDerWaalsContact O-N 3.09Å |
| 7 | L | 61.5 | Low | 55.5 | Low | 124 Ų | 124 | 110.9 Ų | 110.9 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -36.7 | 177.2 | -74 | 166.6 | 0 | 0 | 0 | 112.6 | L3 V10 D11 | L3-L7 PolarHBondContact O-N 3.34Å; L3-L7 VanDerWaalsContact O-N 3.12Å; L7-V10 PolarHBondContact O-N 3.24Å; L7-D11 PolarHBondContact O-N 3.07Å |
| 8 | S | 56.5 | Low | 54.7 | Low | 63 Ų | 63 | 110.4 Ų | 110.4 | 44% | 0.441 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.2 | -36.4 | 175.3 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | S4 T5 V10 D11 E12 | S4-S8 PolarHBondContact O-N 3.49Å; T5-S8 PolarHBondContact O-OG 3.3Å; S8-V10 VanDerWaalsContact C-N 3.35Å; S8-D11 PolarHBondContact O-N 3.43Å; S8-E12 PolarHBondContact O-N 2.97Å |
| 9 | L | 53.1 | Low | 54.3 | Low | 68 Ų | 68 | 107.6 Ų | 107.6 | 36% | 0.356 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.4 | -29.7 | 177.6 | -72.3 | 170 | 0 | 0 | 0 | 112.5 | T5 L6 E12 L13 | T5-L9 WeakPolarHBondContact O-CD1 2.9Å; T5-L9 VanDerWaalsContact O-CG 3.26Å; T5-L9 WeakPolarHBondContact O-CG 3.49Å; T5-L9 PolarHBondContact O-N 3.3Å; L6-L9 PolarHBondContact O-N 3.15Å; L9-E12 PolarHBondContact O-N 3.22Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.07Å; L9-L13 VanDerWaalsContact O-N 3.13Å |
| 10 | V | 61.4 | Low | 53.7 | Low | 92 Ų | 92 | 110.2 Ų | 110.2 | 56% | 0.558 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.1 | -35.5 | 173.4 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L6 L7 S8 E12 | L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.05Å; L6-V10 VanDerWaalsContact O-N 3.09Å; L7-V10 PolarHBondContact O-N 3.24Å; S8-V10 VanDerWaalsContact C-N 3.35Å; V10-E12 VanDerWaalsContact C-N 3.29Å |
| 11 | D | 54.4 | Low | 53.4 | Low | 93 Ų | 93 | 110.9 Ų | 110.9 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.7 | -30.2 | 173.8 | -133.3 | 24 | 0 | 0 | 0 | 111.3 | L7 S8 K99 | L7-D11 PolarHBondContact O-N 3.07Å; S8-D11 PolarHBondContact O-N 3.43Å; D11-K99 WeakPolarHBondContact OD2-CE 3.43Å; D11-K99 IonicContact OD2-NZ 3.1Å; D11-K99 PolarHBondContact OD2-NZ 2.95Å |
| 12 | E | 53.4 | Low | 52.6 | Low | 154 Ų | 154 | 107.3 Ų | 107.3 | 72% | 0.72 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -81.7 | -22.5 | 179.2 | -119.1 | -176 | 164.7 | 0 | 0 | 114.3 | S8 L9 V10 Q14 | S8-E12 PolarHBondContact O-N 2.97Å; L9-E12 PolarHBondContact O-N 3.22Å; V10-E12 VanDerWaalsContact C-N 3.29Å; E12-Q14 VanDerWaalsContact C-N 3.31Å |
| 13 | L | 44.9 | Very low | 51.2 | Low | 142 Ų | 142 | 111 Ų | 111 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 2.7 | 179.4 | -71.1 | 173.6 | 0 | 0 | 0 | 113.5 | L9 E15 | L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.07Å; L9-L13 VanDerWaalsContact O-N 3.13Å; L13-E15 PolarHBondContact O-N 3.31Å; L13-E15 VanDerWaalsContact O-N 3.1Å |
| 14 | Q | 46.7 | Very low | 49.9 | Very low | 94 Ų | 94 | 107.5 Ų | 107.5 | 44% | 0.439 | 58% | 0.582 | S | S | . | * | trans | -78.6 | 92 | 175.2 | -156.8 | 97.1 | -12 | 0 | 0 | 108.9 | E12 | E12-Q14 VanDerWaalsContact C-N 3.31Š| ||
| 15 | E | 42.1 | Very low | 48.9 | Very low | 156 Ų | 156 | 109.8 Ų | 109.8 | 73% | 0.729 | 59% | 0.588 | S | S | * | * | trans | -50.4 | 141.3 | 175.4 | -71.5 | 177.4 | 163.2 | 0 | 0 | 111.7 | L13 R17 | L13-E15 PolarHBondContact O-N 3.31Å; L13-E15 VanDerWaalsContact O-N 3.1Å; E15-R17 PolarHBondContact O-N 2.63Å | ||
| 16 | P | 37.1 | Very low | 47.8 | Very low | 121 Ų | 121 | 109.7 Ų | 109.7 | 79% | 0.786 | 60% | 0.598 | S | S | * | * | trans | -68.5 | 100.7 | -177.4 | 27.6 | -33.1 | 0 | 0 | 0 | 110.1 | ||||
| 17 | R | 41.9 | Very low | 47.1 | Very low | 162 Ų | 162 | 110.3 Ų | 110.3 | 61% | 0.611 | 60% | 0.601 | S | S | * | * | trans | -82.2 | 115.7 | 168.8 | -66.7 | -169.2 | 178.4 | 136.3 | 3.4 | 108.9 | E15 P19 D154 | E15-R17 PolarHBondContact O-N 2.63Å; R17-P19 WeakPolarHBondContact O-CD 3.27Å; R17-D154 PolarHBondContact NH1-O 3.22Å | ||
| 18 | S | 42.3 | Very low | 46.4 | Very low | 103 Ų | 103 | 110.8 Ų | 110.8 | 72% | 0.72 | 60% | 0.6 | S | S | * | * | trans | -56.5 | 121.6 | 176.1 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | I20 | S18-I20 PolarHBondContact O-N 3.17Š| ||
| 19 | P | 45.8 | Very low | 46.3 | Very low | 56 Ų | 56 | 112.5 Ų | 112.5 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | trans | -64.7 | 120.6 | 174.3 | -19.6 | 31.9 | 0 | 0 | 0 | 110.2 | R17 Y21 Q97 | R17-P19 WeakPolarHBondContact O-CD 3.27Å; P19-Y21 HydrophobicContact CB-CD1 4.29Å; P19-Y21 HydrophobicContact CB-CD2 3.6Å; P19-Y21 HydrophobicContact CB-CE1 3.97Å; P19-Y21 HydrophobicContact CB-CE2 3.25Å; P19-Y21 HydrophobicContact CB-CG 4.1Å; P19-Y21 VanDerWaalsContact CB-CZ 3.44Å; P19-Y21 HydrophobicContact CG-CD2 4.35Å; P19-Y21 HydrophobicContact CG-CE2 3.61Å; P19-Y21 PolarHBondContact O-N 3.04Å; P19-Q97 VanDerWaalsContact CB-NE2 3.28Å; P19-Q97 VanDerWaalsContact CG-NE2 3.34Å | ||
| 20 | I | 43.9 | Very low | 46.3 | Very low | 159 Ų | 159 | 116.6 Ų | 116.6 | 82% | 0.815 | 63% | 0.626 | S | S | * | * | trans | -76 | 82.7 | 161.9 | -59.5 | 177.5 | 0 | 0 | 0 | 106.5 | S18 E22 | S18-I20 PolarHBondContact O-N 3.17Å; I20-E22 VanDerWaalsContact C-N 3.3Å; I20-E22 PolarHBondContact O-N 3.27Å; I20-E22 VanDerWaalsContact O-N 3.07Å | ||
| 21 | Y | 46.4 | Very low | 46 | Very low | 126 Ų | 126 | 115.2 Ų | 115.2 | 49% | 0.494 | 62% | 0.621 | S | S | . | * | trans | -75.6 | 88.3 | 165 | -62.7 | -62.9 | 0 | 0 | 0 | 108.1 | P19 L23 Q97 R130 | P19-Y21 HydrophobicContact CB-CD1 4.29Å; P19-Y21 HydrophobicContact CB-CD2 3.6Å; P19-Y21 HydrophobicContact CB-CE1 3.97Å; P19-Y21 HydrophobicContact CB-CE2 3.25Å; P19-Y21 HydrophobicContact CB-CG 4.1Å; P19-Y21 VanDerWaalsContact CB-CZ 3.44Å; P19-Y21 HydrophobicContact CG-CD2 4.35Å; P19-Y21 HydrophobicContact CG-CE2 3.61Å; P19-Y21 PolarHBondContact O-N 3.04Å; Y21-L23 PolarHBondContact O-N 3.35Å; Y21-Q97 PolarHBondContact OH-OE1 3.15Å; Y21-R130 PolarHBondContact OH-NE 2.77Å | ||
| 22 | E | 38.5 | Very low | 45.9 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 52% | 0.523 | 63% | 0.632 | S | S | . | * | trans | -81.3 | 101 | 164.6 | -155.8 | -170.5 | 174.8 | 0 | 0 | 107.7 | I20 G24 G26 | I20-E22 VanDerWaalsContact C-N 3.3Å; I20-E22 PolarHBondContact O-N 3.27Å; I20-E22 VanDerWaalsContact O-N 3.07Å; E22-G24 PolarHBondContact O-N 3.32Å; E22-G26 WeakPolarHBondContact OE1-CA 3.35Å | ||
| 23 | L | 40.5 | Very low | 45.8 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | trans | -67.8 | 47.5 | 174.9 | -76.1 | 166 | 0 | 0 | 0 | 111.7 | Y21 L25 | Y21-L23 PolarHBondContact O-N 3.35Å; L23-L25 WeakPolarHBondContact O-CB 3.33Å; L23-L25 VanDerWaalsContact O-CG 3.24Å; L23-L25 WeakPolarHBondContact O-CG 3.49Å; L23-L25 PolarHBondContact O-N 2.88Å | ||
| 24 | G | 42.4 | Very low | 46 | Very low | 65 Ų | 65 | 121.7 Ų | 121.7 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 53.7 | 6.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | E22 | E22-G24 PolarHBondContact O-N 3.32Š|
| 25 | L | 47.2 | Very low | 46 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 67% | 0.665 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -118.3 | 2.2 | -170.8 | -70.5 | 173.7 | 0 | 0 | 0 | 112 | L23 L27 | L23-L25 WeakPolarHBondContact O-CB 3.33Å; L23-L25 VanDerWaalsContact O-CG 3.24Å; L23-L25 WeakPolarHBondContact O-CG 3.49Å; L23-L25 PolarHBondContact O-N 2.88Å; L25-L27 PolarHBondContact O-N 2.72Å |
| 26 | G | 43.7 | Very low | 46.2 | Very low | 54 Ų | 54 | 122.7 Ų | 122.7 | 56% | 0.557 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 62.5 | 21.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | E22 | E22-G26 WeakPolarHBondContact OE1-CA 3.35Š|
| 27 | L | 46.2 | Very low | 46.6 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | trans | -116.4 | 113.9 | -176.5 | -69.4 | 170.3 | 0 | 0 | 0 | 110 | L25 | L25-L27 PolarHBondContact O-N 2.72Š| ||
| 28 | H | 46.5 | Very low | 46.8 | Very low | 135 Ų | 135 | 120.5 Ų | 120.5 | 63% | 0.625 | 66% | 0.663 | S | S | * | * | trans | -61.7 | 138.1 | 173.3 | -161.9 | -92.5 | 0 | 0 | 0 | 109.9 | H30 S31 | H28-H30 PolarHBondContact O-N 2.85Å; H28-S31 WeakPolarHBondContact O-CB 3.36Å; H28-S31 PolarHBondContact O-N 3.21Å; H28-S31 PolarHBondContact O-OG 2.84Å | ||
| 29 | P | 53 | Low | 47.1 | Very low | 99 Ų | 99 | 122 Ų | 122 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -59 | -22.7 | -175.4 | 17.5 | -28.6 | 0 | 0 | 0 | 114.2 | ||
| 30 | H | 55 | Low | 47.3 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 71% | 0.708 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -83.7 | -5.2 | 173.8 | -90 | -74.9 | 0 | 0 | 0 | 116 | H28 R32 | H28-H30 PolarHBondContact O-N 2.85Å; H30-R32 PolarHBondContact O-N 3.48Å |
| 31 | S | 54.1 | Low | 47.5 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 44% | 0.441 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -78.7 | 1.5 | -178.6 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | H28 | H28-S31 WeakPolarHBondContact O-CB 3.36Å; H28-S31 PolarHBondContact O-N 3.21Å; H28-S31 PolarHBondContact O-OG 2.84Å |
| 32 | R | 51.9 | Low | 47.4 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -88.6 | 5.5 | -176.7 | -71 | -158.1 | 178 | -176.6 | 2.2 | 116.4 | H30 | H30-R32 PolarHBondContact O-N 3.48Š|
| 33 | Y | 52.6 | Low | 47.7 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | trans | -121 | 51.6 | 179.2 | -63.7 | -76.3 | 0 | 0 | 0 | 113.4 | ||||
| 34 | V | 47.2 | Very low | 47.9 | Very low | 124 Ų | 124 | 138 Ų | 138 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -140 | 91.3 | 160 | -167.5 | 0 | 0 | 0 | 0 | 108.7 | P36 | V34-P36 WeakPolarHBondContact O-CD 3.37Š| ||
| 35 | L | 48.4 | Very low | 48.4 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | -88.6 | 112.1 | 157.1 | -82.2 | 162.2 | 0 | 0 | 0 | 107 | ||||
| 36 | P | 44.7 | Very low | 48.9 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | trans | -94.7 | 98 | 156.8 | 28.1 | -14.2 | 0 | 0 | 0 | 107.4 | V34 G38 | V34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-G38 VanDerWaalsContact C-N 3.26Å; P36-G38 PolarHBondContact O-N 3.18Å | ||
| 37 | L | 46.3 | Very low | 49.5 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 91% | 0.911 | 74% | 0.739 | S | S | * | * | trans | -65.4 | 97.2 | 150.4 | -115.4 | 80.7 | 0 | 0 | 0 | 105.8 | ||||
| 38 | G | 46.6 | Very low | 50.2 | Low | 63 Ų | 63 | 140.6 Ų | 140.6 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | -173.2 | 93.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P36 | P36-G38 VanDerWaalsContact C-N 3.26Å; P36-G38 PolarHBondContact O-N 3.18Å | ||
| 39 | T | 48.6 | Very low | 51.2 | Low | 135 Ų | 135 | 140.6 Ų | 140.6 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | trans | -61.1 | 156.5 | 167.9 | 39.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 40 | Q | 50.8 | Low | 52.3 | Low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | trans | 72.7 | 96.8 | 164.4 | -65 | -86.1 | -4.3 | 0 | 0 | 117 | ||||
| 41 | Q | 46.3 | Very low | 53 | Low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | -172.8 | 126 | 107.2 | -110.9 | 172.5 | -56.8 | 0 | 0 | 111.4 | R43 | Q41-R43 PolarHBondContact O-N 3.28Š| |||
| 42 | R | 44.8 | Very low | 53.9 | Low | 228 Ų | 228 | 134.2 Ų | 134.2 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -40.8 | 128.8 | 158.7 | -80.7 | -179.4 | 164.6 | -151.4 | -0.9 | 110.8 | ||||
| 43 | R | 44.5 | Very low | 54.6 | Low | 242 Ų | 242 | 128.4 Ų | 128.4 | 91% | 0.913 | 71% | 0.708 | S | S | * | * | trans | -129.2 | 99.1 | 134.3 | -72.6 | -166.1 | 176.9 | -172.2 | -0.1 | 108.8 | Q41 I45 | Q41-R43 PolarHBondContact O-N 3.28Å; R43-I45 PolarHBondContact O-N 2.78Å | ||
| 44 | S | 45.7 | Very low | 55.7 | Low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | trans | -61.4 | 113.2 | 158.1 | 168.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 45 | I | 52.8 | Low | 57.2 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 74% | 0.744 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -141.3 | 88.3 | 146.2 | -43.3 | 178.2 | 0 | 0 | 0 | 104.9 | R43 G47 | R43-I45 PolarHBondContact O-N 2.78Å; I45-G47 PolarHBondContact O-N 3.26Å |
| 46 | N | 57 | Low | 58.3 | Low | 151 Ų | 151 | 118.2 Ų | 118.2 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 61.3 | 27.3 | 164.3 | -57 | -18.8 | 0 | 0 | 0 | 121 | ||
| 47 | G | 57.6 | Low | 60 | Low | 58 Ų | 58 | 115.1 Ų | 115.1 | 60% | 0.598 | 65% | 0.651 | S | S | * | * | trans | -87.1 | 131.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I45 | I45-G47 PolarHBondContact O-N 3.26Š| ||
| 48 | C | 60.5 | Low | 61.5 | Low | 49 Ų | 49 | 106.9 Ų | 106.9 | 33% | 0.331 | 61% | 0.608 | S | S | . | * | trans | -76.7 | 133.1 | 175.9 | -168.9 | 0 | 0 | 0 | 0 | 110.5 | C50 S57 | C48-C50 PolarHBondContact O-N 3.35Å; C48-S57 WeakPolarHBondContact CB-OG 3.43Å | ||
| 49 | P | 68 | Low | 62.8 | Low | 135 Ų | 135 | 108.4 Ų | 108.4 | 88% | 0.877 | 61% | 0.606 | S | S | * | * | trans | -73.9 | -6.2 | -174.4 | 28.9 | -35.8 | 0 | 0 | 0 | 114.5 | ||||
| 50 | C | 76.1 | Confident | 64.2 | Low | 46 Ų | 46 | 103.8 Ų | 103.8 | 31% | 0.311 | 58% | 0.582 | S | S | . | * | trans | -73.1 | 137.8 | -178.8 | 65.4 | 0 | 0 | 0 | 0 | 111 | C48 S52 C55 S58 | C48-C50 PolarHBondContact O-N 3.35Å; C50-S52 PolarHBondContact O-N 2.84Å; C50-C55 WeakPolarHBondContact SG-CB 3.48Å; C50-C55 PolarHBondContact SG-SG 2.87Å; C50-S58 WeakPolarHBondContact O-CB 3.2Å | ||
| 51 | A | 69.7 | Low | 65.4 | Low | 91 Ų | 91 | 95.7 Ų | 95.7 | 75% | 0.752 | 55% | 0.545 | S | S | * | . | trans | -82 | 13.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 52 | S | 73 | Confident | 66.9 | Low | 44 Ų | 44 | 91.7 Ų | 91.7 | 31% | 0.308 | 53% | 0.526 | S | S | . | . | trans | -70.8 | 128.8 | -173.8 | 177 | 0 | 0 | 0 | 0 | 110.9 | C50 I54 C55 S58 | C50-S52 PolarHBondContact O-N 2.84Å; S52-I54 PolarHBondContact O-N 3.37Å; S52-I54 PolarHBondContact OG-N 3.1Å; S52-C55 PolarHBondContact O-N 3.19Å; S52-S58 WeakPolarHBondContact O-CB 3.39Å; S52-S58 PolarHBondContact O-OG 3.44Å | ||
| 53 | P | 65.2 | Low | 68.3 | Low | 75 Ų | 75 | 85.5 Ų | 85.5 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16 | 174.8 | 26.3 | -33.2 | 0 | 0 | 0 | 113 | A60 L64 | P53-A60 HydrophobicContact CB-CB 4.39Å; P53-L64 HydrophobicContact CB-CD1 3.53Å; P53-L64 WeakPolarHBondContact O-CD1 3.42Å |
| 54 | I | 76.8 | Confident | 69.7 | Low | 152 Ų | 152 | 78.1 Ų | 78.1 | 78% | 0.779 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -20.6 | -178.8 | -54.8 | 168.9 | 0 | 0 | 0 | 111.1 | S52 P56 | S52-I54 PolarHBondContact O-N 3.37Å; S52-I54 PolarHBondContact OG-N 3.1Å; I54-P56 WeakPolarHBondContact O-CD 3.46Å |
| 55 | C | 78.4 | Confident | 71.1 | Confident | 25 Ų | 25 | 75.1 Ų | 75.1 | 17% | 0.169 | 47% | 0.474 | C | S | . | . | trans | -85.7 | 117.7 | -176.9 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | C50 S52 S57 S58 G61 | C50-C55 WeakPolarHBondContact SG-CB 3.48Å; C50-C55 PolarHBondContact SG-SG 2.87Å; S52-C55 PolarHBondContact O-N 3.19Å; C55-S57 PolarHBondContact O-N 2.84Å; C55-S57 PolarHBondContact SG-OG 3.47Å; C55-S58 PolarHBondContact O-N 3.27Å; C55-S58 PolarHBondContact O-OG 3.17Å; C55-G61 WeakPolarHBondContact O-CA 3.32Å | ||
| 56 | P | 71.5 | Confident | 71.8 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 66% | 0.662 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19 | -175.2 | 25.7 | -34.6 | 0 | 0 | 0 | 113.8 | I54 Q62 | I54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-Q62 WeakPolarHBondContact O-CG 3.32Å |
| 57 | S | 79.4 | Confident | 72.1 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -4.5 | 179 | 44.5 | 0 | 0 | 0 | 0 | 113.9 | C48 C55 Q62 | C48-S57 WeakPolarHBondContact CB-OG 3.43Å; C55-S57 PolarHBondContact O-N 2.84Å; C55-S57 PolarHBondContact SG-OG 3.47Å; S57-Q62 PolarHBondContact O-NE2 3.16Å |
| 58 | S | 77.5 | Confident | 72.5 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -75.5 | 155.3 | 171.1 | 75.6 | 0 | 0 | 0 | 0 | 111.1 | C50 S52 C55 A60 G61 Q62 | C50-S58 WeakPolarHBondContact O-CB 3.2Å; S52-S58 WeakPolarHBondContact O-CB 3.39Å; S52-S58 PolarHBondContact O-OG 3.44Å; C55-S58 PolarHBondContact O-N 3.27Å; C55-S58 PolarHBondContact O-OG 3.17Å; S58-A60 PolarHBondContact O-N 2.84Å; S58-G61 PolarHBondContact O-N 3.39Å; S58-G61 PolarHBondContact OG-N 3.41Å; S58-Q62 WeakPolarHBondContact O-CB 3.39Å; S58-Q62 WeakPolarHBondContact O-CG 3.36Å; S58-Q62 PolarHBondContact O-N 3.39Å |
| 59 | P | 75.4 | Confident | 72.7 | Confident | 95 Ų | 95 | 84 Ų | 84 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -53.6 | -42.1 | 172.1 | -26.4 | 34.8 | 0 | 0 | 0 | 112.8 | V63 | P59-V63 VanDerWaalsContact O-CG2 3.32Å; P59-V63 WeakPolarHBondContact O-CG2 3.04Å; P59-V63 PolarHBondContact O-N 3.08Å; P59-V63 VanDerWaalsContact O-N 3.16Å |
| 60 | A | 76.6 | Confident | 72.3 | Confident | 38 Ų | 38 | 83.4 Ų | 83.4 | 31% | 0.314 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P53 S58 V63 L64 | P53-A60 HydrophobicContact CB-CB 4.39Å; S58-A60 PolarHBondContact O-N 2.84Å; A60-V63 PolarHBondContact O-N 3.34Å; A60-L64 WeakPolarHBondContact O-CG 3.45Å; A60-L64 PolarHBondContact O-N 2.94Å |
| 61 | G | 77.8 | Confident | 71.3 | Confident | 4 Ų | 4 | 85 Ų | 85 | 4% | 0.041 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -74.2 | -31.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C55 S58 L64 A65 | C55-G61 WeakPolarHBondContact O-CA 3.32Å; S58-G61 PolarHBondContact O-N 3.39Å; S58-G61 PolarHBondContact OG-N 3.41Å; G61-L64 PolarHBondContact O-N 3.11Å; G61-A65 VanDerWaalsContact O-CB 3.27Å; G61-A65 WeakPolarHBondContact O-CB 3.36Å; G61-A65 PolarHBondContact O-N 2.61Å |
| 62 | Q | 76 | Confident | 70.7 | Confident | 100 Ų | 100 | 86.9 Ų | 86.9 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 170.5 | -72.7 | 178.5 | 31.8 | 0 | 0 | 111.1 | P56 S57 S58 L64 A65 L66 | P56-Q62 WeakPolarHBondContact O-CG 3.32Å; S57-Q62 PolarHBondContact O-NE2 3.16Å; S58-Q62 WeakPolarHBondContact O-CB 3.39Å; S58-Q62 WeakPolarHBondContact O-CG 3.36Å; S58-Q62 PolarHBondContact O-N 3.39Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 2.6Å; Q62-A65 PolarHBondContact O-N 3.16Å; Q62-L66 WeakPolarHBondContact O-CB 3.45Å; Q62-L66 PolarHBondContact O-N 2.95Å |
| 63 | V | 75.5 | Confident | 69.8 | Low | 98 Ų | 98 | 93.5 Ų | 93.5 | 59% | 0.594 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 111 | P59 A60 R67 | P59-V63 VanDerWaalsContact O-CG2 3.32Å; P59-V63 WeakPolarHBondContact O-CG2 3.04Å; P59-V63 PolarHBondContact O-N 3.08Å; P59-V63 VanDerWaalsContact O-N 3.16Å; A60-V63 PolarHBondContact O-N 3.34Å; V63-R67 WeakPolarHBondContact O-CB 3.48Å; V63-R67 PolarHBondContact O-N 2.95Å |
| 64 | L | 74.2 | Confident | 68.8 | Low | 87 Ų | 87 | 97.1 Ų | 97.1 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.8 | -34.6 | 176.3 | -71 | 171.8 | 0 | 0 | 0 | 113 | P53 A60 G61 Q62 R67 R68 | P53-L64 HydrophobicContact CB-CD1 3.53Å; P53-L64 WeakPolarHBondContact O-CD1 3.42Å; A60-L64 WeakPolarHBondContact O-CG 3.45Å; A60-L64 PolarHBondContact O-N 2.94Å; G61-L64 PolarHBondContact O-N 3.11Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 2.6Å; L64-R67 PolarHBondContact O-N 2.95Å; L64-R68 PolarHBondContact O-N 3.4Å |
| 65 | A | 73.5 | Confident | 67.3 | Low | 41 Ų | 41 | 96.1 Ų | 96.1 | 34% | 0.339 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G61 Q62 R67 R68 E69 | G61-A65 VanDerWaalsContact O-CB 3.27Å; G61-A65 WeakPolarHBondContact O-CB 3.36Å; G61-A65 PolarHBondContact O-N 2.61Å; Q62-A65 PolarHBondContact O-N 3.16Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 3.48Å; A65-R68 CarbonylContact O-C 3.41Å; A65-R68 WeakPolarHBondContact O-CB 3.34Å; A65-R68 PolarHBondContact O-N 3.04Å; A65-R68 VanDerWaalsContact O-N 3.08Å; A65-E69 PolarHBondContact O-N 3.14Å |
| 66 | L | 68.7 | Low | 65.7 | Low | 88 Ų | 88 | 102.7 Ų | 102.7 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -55.8 | -45.1 | 171.1 | -87 | 152.8 | 0 | 0 | 0 | 111.1 | Q62 R68 E69 M70 | Q62-L66 WeakPolarHBondContact O-CB 3.45Å; Q62-L66 PolarHBondContact O-N 2.95Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.47Å; L66-E69 PolarHBondContact O-N 3.46Å; L66-M70 HydrophobicContact CD2-CE 4.32Å; L66-M70 WeakPolarHBondContact O-CB 3.18Å; L66-M70 WeakPolarHBondContact O-CG 3.19Å; L66-M70 PolarHBondContact O-N 3.32Å |
| 67 | R | 63 | Low | 64.5 | Low | 173 Ų | 173 | 103.3 Ų | 103.3 | 65% | 0.653 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -38.9 | 176.1 | -166.4 | 178 | -172.1 | 125.8 | 3.2 | 112.2 | V63 L64 A65 A71 | V63-R67 WeakPolarHBondContact O-CB 3.48Å; V63-R67 PolarHBondContact O-N 2.95Å; L64-R67 PolarHBondContact O-N 2.95Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 3.48Å; R67-A71 WeakPolarHBondContact O-CB 3.44Å; R67-A71 PolarHBondContact O-N 2.8Å |
| 68 | R | 66.5 | Low | 62.8 | Low | 204 Ų | 204 | 105.1 Ų | 105.1 | 77% | 0.77 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.5 | -40.1 | 176.4 | -173.1 | -178.3 | -74.1 | -172 | -3.2 | 111.9 | L64 A65 L66 A71 N72 | L64-R68 PolarHBondContact O-N 3.4Å; A65-R68 CarbonylContact O-C 3.41Å; A65-R68 WeakPolarHBondContact O-CB 3.34Å; A65-R68 PolarHBondContact O-N 3.04Å; A65-R68 VanDerWaalsContact O-N 3.08Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.47Å; R68-A71 PolarHBondContact O-N 3.45Å; R68-N72 PolarHBondContact O-N 3.2Å; R68-N72 VanDerWaalsContact O-N 3.11Å |
| 69 | E | 63.9 | Low | 61.5 | Low | 125 Ų | 125 | 108.3 Ų | 108.3 | 58% | 0.584 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 173.9 | -76.2 | -176.3 | 167.7 | 0 | 0 | 111.5 | A65 L66 A71 N72 R73 | A65-E69 PolarHBondContact O-N 3.14Å; L66-E69 PolarHBondContact O-N 3.46Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.39Å; E69-N72 PolarHBondContact O-N 2.77Å; E69-N72 VanDerWaalsContact O-N 3.16Å; E69-R73 PolarHBondContact O-N 2.78Å; E69-R73 VanDerWaalsContact O-N 3.1Å |
| 70 | M | 59.1 | Low | 60.7 | Low | 122 Ų | 122 | 104.9 Ų | 104.9 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | 174.4 | -71 | 171.6 | -179.9 | 0 | 0 | 111.7 | L66 N72 R73 | L66-M70 HydrophobicContact CD2-CE 4.32Å; L66-M70 WeakPolarHBondContact O-CB 3.18Å; L66-M70 WeakPolarHBondContact O-CG 3.19Å; L66-M70 PolarHBondContact O-N 3.32Å; M70-N72 VanDerWaalsContact C-N 3.27Å; M70-N72 PolarHBondContact O-N 3.12Å; M70-R73 PolarHBondContact O-N 3.14Å |
| 71 | A | 56.5 | Low | 60 | Low | 79 Ų | 79 | 107.6 Ų | 107.6 | 65% | 0.653 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.7 | -23.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R67 R68 E69 | R67-A71 WeakPolarHBondContact O-CB 3.44Å; R67-A71 PolarHBondContact O-N 2.8Å; R68-A71 PolarHBondContact O-N 3.45Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.39Å |
| 72 | N | 55.6 | Low | 59.8 | Low | 131 Ų | 131 | 109.2 Ų | 109.2 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -90.5 | -18.7 | 179.7 | -161.8 | 10.1 | 0 | 0 | 0 | 112.6 | R68 E69 M70 N74 | R68-N72 PolarHBondContact O-N 3.2Å; R68-N72 VanDerWaalsContact O-N 3.11Å; E69-N72 PolarHBondContact O-N 2.77Å; E69-N72 VanDerWaalsContact O-N 3.16Å; M70-N72 VanDerWaalsContact C-N 3.27Å; M70-N72 PolarHBondContact O-N 3.12Å; N72-N74 PolarHBondContact O-N 3.2Å; N72-N74 VanDerWaalsContact O-N 3.17Å |
| 73 | R | 54.4 | Low | 60 | Low | 182 Ų | 182 | 109.9 Ų | 109.9 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -78.1 | 99.1 | 170 | -76.4 | -174.7 | 158.2 | 155.2 | -3.2 | 108.5 | E69 M70 D75 | E69-R73 PolarHBondContact O-N 2.78Å; E69-R73 VanDerWaalsContact O-N 3.1Å; M70-R73 PolarHBondContact O-N 3.14Å; R73-D75 PolarHBondContact O-N 3.05Å |
| 74 | N | 45.3 | Very low | 60.4 | Low | 152 Ų | 152 | 109.4 Ų | 109.4 | 81% | 0.813 | 56% | 0.556 | S | S | * | * | trans | -63.6 | 32.4 | 177.8 | -77.9 | -29.7 | 0 | 0 | 0 | 114.8 | N72 I76 | N72-N74 PolarHBondContact O-N 3.2Å; N72-N74 VanDerWaalsContact O-N 3.17Å; N74-I76 PolarHBondContact O-N 2.91Å | ||
| 75 | D | 45.8 | Very low | 61 | Low | 131 Ų | 131 | 107.4 Ų | 107.4 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -95.2 | 80.1 | 176.4 | -59.5 | -38.1 | 0 | 0 | 0 | 108.1 | R73 H77 | R73-D75 PolarHBondContact O-N 3.05Å; D75-H77 PolarHBondContact O-N 2.91Å |
| 76 | I | 43.8 | Very low | 61.5 | Low | 163 Ų | 163 | 114.1 Ų | 114.1 | 84% | 0.836 | 58% | 0.578 | S | S | * | * | trans | 35.5 | 64.4 | 162.4 | -46 | 174.9 | 0 | 0 | 0 | 113.3 | N74 W78 | N74-I76 PolarHBondContact O-N 2.91Å; I76-W78 PolarHBondContact O-N 3.06Å | ||
| 77 | H | 45.6 | Very low | 62.3 | Low | 114 Ų | 114 | 116.3 Ų | 116.3 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | trans | -75.1 | 108.6 | 173.5 | 174.5 | -79.7 | 0 | 0 | 0 | 109.7 | D75 P79 A80 | D75-H77 PolarHBondContact O-N 2.91Å; H77-P79 CarbonylContact O-C 3.56Å; H77-A80 WeakPolarHBondContact O-CA 3.4Å; H77-A80 PolarHBondContact O-N 3.18Å; H77-A80 VanDerWaalsContact O-N 3.12Å | ||
| 78 | W | 43.5 | Very low | 63.6 | Low | 81 Ų | 81 | 108.3 Ų | 108.3 | 31% | 0.307 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -79.4 | 127 | 170.2 | -173.6 | -122.6 | 0 | 0 | 0 | 109.9 | I76 A80 C92 M93 D94 | I76-W78 PolarHBondContact O-N 3.06Å; W78-A80 HydrophobicContact CE3-CB 4.33Å; W78-A80 VanDerWaalsContact CE3-N 3.28Å; W78-A80 HydrophobicContact CZ3-CB 4.36Å; W78-A80 VanDerWaalsContact CZ3-N 3.31Å; W78-C92 WeakPolarHBondContact CZ3-O 3.46Å; W78-M93 HydrophobicContact CE3-CB 4.36Å; W78-M93 HydrophobicContact CH2-CB 2.85Å; W78-M93 HydrophobicContact CH2-CG 4.26Å; W78-M93 HydrophobicContact CZ2-CB 3.36Å; W78-M93 HydrophobicContact CZ3-CB 3.49Å; W78-M93 VanDerWaalsContact CZ3-CB 3.49Å; W78-D94 HydrophobicContact CD2-CB 4.06Å; W78-D94 VanDerWaalsContact CE2-N 3.3Å; W78-D94 HydrophobicContact CG-CB 4.17Å; W78-D94 VanDerWaalsContact CZ2-N 3.32Å |
| 79 | P | 51.6 | Low | 64.9 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | S | Bend | cis | -79.6 | 121.7 | 6.2 | 32.7 | -33.7 | 0 | 0 | 0 | 113 | H77 T81 R134 | H77-P79 CarbonylContact O-C 3.56Å; P79-T81 PolarHBondContact O-N 2.89Å; P79-R134 VanDerWaalsContact CB-NH1 3.28Å |
| 80 | A | 57.2 | Low | 66.3 | Low | 24 Ų | 24 | 97.3 Ų | 97.3 | 20% | 0.198 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 117 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | H77 W78 C92 | H77-A80 WeakPolarHBondContact O-CA 3.4Å; H77-A80 PolarHBondContact O-N 3.18Å; H77-A80 VanDerWaalsContact O-N 3.12Å; W78-A80 HydrophobicContact CE3-CB 4.33Å; W78-A80 VanDerWaalsContact CE3-N 3.28Å; W78-A80 HydrophobicContact CZ3-CB 4.36Å; W78-A80 VanDerWaalsContact CZ3-N 3.31Å; A80-C92 HydrophobicContact CB-CB 4.4Å |
| 81 | T | 63.6 | Low | 67.9 | Low | 94 Ų | 94 | 91.6 Ų | 91.6 | 58% | 0.577 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -59 | 145.7 | 177.9 | -63.7 | 0 | 0 | 0 | 0 | 107.8 | P79 H83 | P79-T81 PolarHBondContact O-N 2.89Å; T81-H83 PolarHBondContact O-CD2 3.21Å; T81-H83 PolarHBondContact O-N 3.48Å; T81-H83 VanDerWaalsContact O-N 3.14Å; T81-H83 PolarHBondContact O-NE2 3.06Å |
| 82 | A | 73.2 | Confident | 69.6 | Low | 39 Ų | 39 | 89.4 Ų | 89.4 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -63 | 121.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109 | F89 V91 Y136 | A82-F89 HydrophobicContact CB-CE2 3.59Å; A82-F89 HydrophobicContact CB-CZ 3.72Å; A82-V91 HydrophobicContact CB-CG2 3.6Å; A82-Y136 HydrophobicContact CB-CD1 4.02Å |
| 83 | H | 78.9 | Confident | 71.2 | Confident | 114 Ų | 114 | 83.2 Ų | 83.2 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.6 | -174.1 | -66.6 | -63.2 | 0 | 0 | 0 | 110.5 | T81 Q90 | T81-H83 PolarHBondContact O-CD2 3.21Å; T81-H83 PolarHBondContact O-N 3.48Å; T81-H83 VanDerWaalsContact O-N 3.14Å; T81-H83 PolarHBondContact O-NE2 3.06Å; H83-Q90 PolarHBondContact N-O 3.21Å; H83-Q90 PolarHBondContact O-N 3.06Å |
| 84 | V | 85.5 | Confident | 73 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 53% | 0.527 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.1 | 167.1 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | F89 P139 Y142 | V84-F89 HydrophobicContact CG2-CB 4.48Å; V84-F89 HydrophobicContact CG2-CD2 3.91Å; V84-P139 HydrophobicContact CG2-CB 4.21Å; V84-P139 HydrophobicContact CG2-CG 3.79Å; V84-Y142 HydrophobicContact CG1-CE2 4.32Å; V84-Y142 VanDerWaalsContact CG1-OH 3.32Å; V84-Y142 WeakPolarHBondContact CG1-OH 3.24Å |
| 85 | G | 85.3 | Confident | 75.4 | Confident | 45 Ų | 45 | 71 Ų | 71 | 46% | 0.464 | 39% | 0.385 | S | S | . | . | trans | -104.8 | -166.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D87 G88 | G85-D87 VanDerWaalsContact C-N 3.31Å; G85-D87 PolarHBondContact O-N 2.84Å; G85-G88 PolarHBondContact N-O 3.12Å | ||
| 86 | K | 84.5 | Confident | 77.6 | Confident | 183 Ų | 183 | 66.5 Ų | 66.5 | 80% | 0.796 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -63 | -38.3 | 179 | -172.5 | -178.2 | 176.4 | -169.5 | 0 | 112.4 | ||
| 87 | D | 85 | Confident | 79.9 | Confident | 133 Ų | 133 | 61.4 Ų | 61.4 | 71% | 0.711 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -93.5 | -5.2 | -172.9 | -54.8 | -44.6 | 0 | 0 | 0 | 113.2 | G85 K163 | G85-D87 VanDerWaalsContact C-N 3.31Å; G85-D87 PolarHBondContact O-N 2.84Å; D87-K163 PolarHBondContact O-N 3.36Å; D87-K163 VanDerWaalsContact O-N 3.12Å |
| 88 | G | 91.9 | Very high | 82.2 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137 | -157.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G85 I161 | G85-G88 PolarHBondContact N-O 3.12Å; G88-I161 CarbonylContact C-O 3.52Å; G88-I161 WeakPolarHBondContact CA-O 3.36Å |
| 89 | F | 93.6 | Very high | 84.6 | Confident | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.7 | 174.6 | 173.6 | -105.1 | 0 | 0 | 0 | 109.8 | A82 V84 V91 I112 P139 Y142 S160 I161 | A82-F89 HydrophobicContact CB-CE2 3.59Å; A82-F89 HydrophobicContact CB-CZ 3.72Å; V84-F89 HydrophobicContact CG2-CB 4.48Å; V84-F89 HydrophobicContact CG2-CD2 3.91Å; F89-V91 HydrophobicContact CE1-CG2 3.97Å; F89-V91 HydrophobicContact CZ-CG2 3.76Å; F89-I112 HydrophobicContact CD1-CD1 4.43Å; F89-I112 HydrophobicContact CE1-CD1 3.88Å; F89-P139 HydrophobicContact CB-CG 4.07Å; F89-P139 HydrophobicContact CD2-CG 3.25Å; F89-P139 HydrophobicContact CE2-CG 3.66Å; F89-P139 HydrophobicContact CG-CG 3.71Å; F89-P139 HydrophobicContact CZ-CG 4.46Å; F89-Y142 HydrophobicContact CB-CD1 3.97Å; F89-Y142 HydrophobicContact CB-CE1 3.82Å; F89-Y142 VanDerWaalsContact N-CE1 3.31Å; F89-S160 CarbonylContact O-C 3.55Å; F89-S160 WeakPolarHBondContact O-CA 3.38Å; F89-I161 HydrophobicContact CB-CB 4.26Å; F89-I161 HydrophobicContact CD1-CD1 3.88Å; F89-I161 HydrophobicContact CD1-CG1 4.01Å; F89-I161 PolarHBondContact N-O 2.82Å; F89-I161 PolarHBondContact O-N 2.86Å |
| 90 | Q | 93.3 | Very high | 86.8 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 142.1 | -179.5 | -173.4 | 173.9 | -21.4 | 0 | 0 | 112.3 | H83 C92 T158 V159 | H83-Q90 PolarHBondContact N-O 3.21Å; H83-Q90 PolarHBondContact O-N 3.06Å; Q90-C92 PolarHBondContact NE2-SG 2.63Å; Q90-T158 HydrophobicContact CG-CG2 3.81Å; Q90-V159 WeakPolarHBondContact CA-O 3.33Å |
| 91 | V | 91.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.5 | 170.2 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | A82 F89 M93 Y136 T158 V159 | A82-V91 HydrophobicContact CB-CG2 3.6Å; F89-V91 HydrophobicContact CE1-CG2 3.97Å; F89-V91 HydrophobicContact CZ-CG2 3.76Å; V91-M93 HydrophobicContact CG1-CE 3.99Å; V91-Y136 HydrophobicContact CG1-CD1 4.17Å; V91-Y136 HydrophobicContact CG1-CD2 4.33Å; V91-Y136 HydrophobicContact CG1-CE1 3.63Å; V91-Y136 HydrophobicContact CG1-CE2 3.82Å; V91-Y136 HydrophobicContact CG1-CG 4.48Å; V91-Y136 VanDerWaalsContact CG1-CZ 3.43Å; V91-Y136 HydrophobicContact CG2-CD1 3.84Å; V91-Y136 HydrophobicContact CG2-CD2 4.38Å; V91-Y136 HydrophobicContact CG2-CE1 4.13Å; V91-Y136 HydrophobicContact CG2-CG 3.96Å; V91-T158 CarbonylContact O-C 3.53Å; V91-T158 WeakPolarHBondContact O-CA 3.41Å; V91-V159 PolarHBondContact N-O 3.19Å; V91-V159 PolarHBondContact O-N 2.91Å |
| 92 | C | 91.5 | Very high | 90.2 | Very high | 34 Ų | 34 | 59 Ų | 59 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146 | 172.6 | -66.2 | 0 | 0 | 0 | 0 | 109.1 | W78 A80 Q90 V156 L157 T158 | W78-C92 WeakPolarHBondContact CZ3-O 3.46Å; A80-C92 HydrophobicContact CB-CB 4.4Å; Q90-C92 PolarHBondContact NE2-SG 2.63Å; C92-V156 HydrophobicContact CB-CG1 4.15Å; C92-L157 CarbonylContact C-O 3.57Å; C92-L157 WeakPolarHBondContact CA-O 3.31Å; C92-T158 PolarHBondContact SG-OG1 2.66Å; C92-T158 VanDerWaalsContact SG-OG1 3.37Å |
| 93 | M | 90.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 129.6 | 179.3 | 66.2 | -176.8 | 82.3 | 0 | 0 | 117.3 | W78 V91 V95 V114 F132 Y136 V156 L157 | W78-M93 HydrophobicContact CE3-CB 4.36Å; W78-M93 HydrophobicContact CH2-CB 2.85Å; W78-M93 HydrophobicContact CH2-CG 4.26Å; W78-M93 HydrophobicContact CZ2-CB 3.36Å; W78-M93 HydrophobicContact CZ3-CB 3.49Å; W78-M93 VanDerWaalsContact CZ3-CB 3.49Å; V91-M93 HydrophobicContact CG1-CE 3.99Å; M93-V95 HydrophobicContact CG-CG1 3.83Å; M93-V95 PolarHBondContact O-N 3.2Å; M93-V95 HydrophobicContact SD-CG1 4.2Å; M93-V114 HydrophobicContact CE-CB 3.93Å; M93-V114 HydrophobicContact CE-CG1 3.88Å; M93-V114 HydrophobicContact CE-CG2 3.73Å; M93-V114 HydrophobicContact SD-CB 4.07Å; M93-V114 HydrophobicContact SD-CG1 3.48Å; M93-V114 WeakPolarHBondContact SD-CG1 3.26Å; M93-V114 HydrophobicContact SD-CG2 4.46Å; M93-F132 HydrophobicContact SD-CE2 4.26Å; M93-F132 HydrophobicContact SD-CZ 4.37Å; M93-Y136 HydrophobicContact CE-CE2 3.68Å; M93-V156 CarbonylContact O-C 3.46Å; M93-V156 VanDerWaalsContact O-CA 3.3Å; M93-V156 WeakPolarHBondContact O-CA 3.33Å; M93-L157 HydrophobicContact CG-CB 3.62Å; M93-L157 HydrophobicContact CG-CD2 4Å; M93-L157 HydrophobicContact CG-CG 4.01Å; M93-L157 WeakPolarHBondContact CG-O 3.38Å; M93-L157 PolarHBondContact N-O 3.03Å; M93-L157 PolarHBondContact O-N 3.37Å; M93-L157 HydrophobicContact SD-CD2 3.97Å |
| 94 | D | 91.8 | Very high | 92.3 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 117.5 | 168.9 | 177.7 | 12.9 | 0 | 0 | 0 | 109.7 | W78 A96 | W78-D94 HydrophobicContact CD2-CB 4.06Å; W78-D94 VanDerWaalsContact CE2-N 3.3Å; W78-D94 HydrophobicContact CG-CB 4.17Å; W78-D94 VanDerWaalsContact CZ2-N 3.32Å; D94-A96 VanDerWaalsContact OD1-CB 3.25Å; D94-A96 WeakPolarHBondContact OD1-CB 3.24Å; D94-A96 PolarHBondContact OD1-N 2.76Å |
| 95 | V | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | trans | -132.5 | 23.5 | 178.3 | -67.3 | 0 | 0 | 0 | 0 | 110.1 | M93 Q97 F98 L103 F132 L151 G155 L157 | M93-V95 HydrophobicContact CG-CG1 3.83Å; M93-V95 PolarHBondContact O-N 3.2Å; M93-V95 HydrophobicContact SD-CG1 4.2Å; V95-Q97 PolarHBondContact O-N 2.98Å; V95-F98 HydrophobicContact CB-CD2 4.35Å; V95-F98 PolarHBondContact O-N 2.78Å; V95-L103 HydrophobicContact CB-CD1 4.09Å; V95-L103 HydrophobicContact CB-CD2 4.06Å; V95-L103 HydrophobicContact CG1-CD2 4.06Å; V95-L103 HydrophobicContact CG2-CD1 3.71Å; V95-F132 HydrophobicContact CG1-CE1 4.04Å; V95-F132 HydrophobicContact CG1-CZ 3.78Å; V95-L151 HydrophobicContact CG2-CD1 3.62Å; V95-G155 CarbonylContact C-O 3.49Å; V95-G155 VanDerWaalsContact CG2-O 3.25Å; V95-G155 WeakPolarHBondContact CG2-O 3.48Å; V95-G155 PolarHBondContact N-O 2.84Å; V95-L157 HydrophobicContact CG1-CB 4.43Å; V95-L157 HydrophobicContact CG2-CB 3.67Å | ||
| 96 | A | 92.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D94 F98 G155 | D94-A96 VanDerWaalsContact OD1-CB 3.25Å; D94-A96 WeakPolarHBondContact OD1-CB 3.24Å; D94-A96 PolarHBondContact OD1-N 2.76Å; A96-F98 VanDerWaalsContact C-N 3.27Å; A96-F98 PolarHBondContact O-N 2.82Å; A96-G155 PolarHBondContact N-O 3.1Å |
| 97 | Q | 91.3 | Very high | 94 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.4 | 176 | -65.6 | 165.9 | 33 | 0 | 0 | 113.9 | P19 Y21 V95 R130 | P19-Q97 VanDerWaalsContact CB-NE2 3.28Å; P19-Q97 VanDerWaalsContact CG-NE2 3.34Å; Y21-Q97 PolarHBondContact OH-OE1 3.15Å; V95-Q97 PolarHBondContact O-N 2.98Å; Q97-R130 VanDerWaalsContact OE1-CD 3.31Å |
| 98 | F | 94.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -120.9 | 139.4 | -178.7 | -65.8 | -92.7 | 0 | 0 | 0 | 110.2 | V95 A96 E102 L103 G116 H118 R130 F132 | V95-F98 HydrophobicContact CB-CD2 4.35Å; V95-F98 PolarHBondContact O-N 2.78Å; A96-F98 VanDerWaalsContact C-N 3.27Å; A96-F98 PolarHBondContact O-N 2.82Å; F98-E102 WeakPolarHBondContact CA-OE2 3.37Å; F98-E102 HydrophobicContact CB-CB 4.42Å; F98-E102 HydrophobicContact CD1-CB 4.33Å; F98-L103 HydrophobicContact CB-CD1 4.48Å; F98-L103 HydrophobicContact CB-CD2 3.72Å; F98-L103 HydrophobicContact CB-CG 4.02Å; F98-L103 HydrophobicContact CG-CD2 4.04Å; F98-G116 WeakPolarHBondContact CE1-O 3.29Å; F98-H118 HydrophobicContact CD1-CB 3.97Å; F98-H118 HydrophobicContact CE1-CB 3.82Å; F98-R130 HydrophobicContact CE1-CB 4.01Å; F98-R130 HydrophobicContact CZ-CB 3.66Å; F98-F132 HydrophobicContact CD2-CD1 4.38Å; F98-F132 AromaticContact CD2-CE1 3.91Å; F98-F132 HydrophobicContact CD2-CE1 3.91Å; F98-F132 HydrophobicContact CE1-CD1 4.13Å; F98-F132 HydrophobicContact CE1-CE1 4.27Å; F98-F132 AromaticContact CE2-CD1 3.62Å; F98-F132 HydrophobicContact CE2-CD1 3.62Å; F98-F132 AromaticContact CE2-CE1 3.6Å; F98-F132 HydrophobicContact CE2-CE1 3.6Å; F98-F132 HydrophobicContact CG-CE1 4.38Å; F98-F132 AromaticContact CZ-CD1 3.47Å; F98-F132 HydrophobicContact CZ-CD1 3.47Å; F98-F132 VanDerWaalsContact CZ-CD1 3.47Å; F98-F132 AromaticContact CZ-CE1 3.8Å; F98-F132 HydrophobicContact CZ-CE1 3.8Å |
| 99 | K | 94.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 54.1 Ų | 54.1 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | trans | -70.6 | 151.8 | 169.4 | -61.8 | -171 | 172.1 | -157.5 | 0 | 109.7 | D11 S101 E102 | D11-K99 WeakPolarHBondContact OD2-CE 3.43Å; D11-K99 IonicContact OD2-NZ 3.1Å; D11-K99 PolarHBondContact OD2-NZ 2.95Å; K99-S101 PolarHBondContact O-N 3.01Å; K99-S101 VanDerWaalsContact O-N 3.1Å; K99-E102 HydrophobicContact CB-CB 4.49Å; K99-E102 HydrophobicContact CB-CG 4Å; K99-E102 PolarHBondContact N-OE2 3.37Å; K99-E102 WeakPolarHBondContact O-CA 3.41Å; K99-E102 WeakPolarHBondContact O-CB 2.8Å; K99-E102 PolarHBondContact O-N 2.98Å | ||
| 100 | P | 96.4 | Very high | 94.4 | Very high | 96 Ų | 96 | 59.4 Ų | 59.4 | 62% | 0.623 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -53.8 | -34.3 | 174.2 | -25.5 | 32.7 | 0 | 0 | 0 | 113.3 | E102 L103 L151 | P100-E102 PolarHBondContact O-N 2.95Å; P100-L103 PolarHBondContact O-N 3.26Å; P100-L151 HydrophobicContact CB-CD2 3.86Å; P100-L151 HydrophobicContact CG-CD2 3.72Å |
| 101 | S | 96.7 | Very high | 94.4 | Very high | 107 Ų | 107 | 55.3 Ų | 55.3 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -71 | -14.4 | 176.5 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | K99 | K99-S101 PolarHBondContact O-N 3.01Å; K99-S101 VanDerWaalsContact O-N 3.1Å |
| 102 | E | 96.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -93.6 | -5.9 | 179.2 | -67.1 | 169.9 | 178.4 | 0 | 0 | 112.2 | F98 K99 P100 G116 K117 H118 R121 | F98-E102 WeakPolarHBondContact CA-OE2 3.37Å; F98-E102 HydrophobicContact CB-CB 4.42Å; F98-E102 HydrophobicContact CD1-CB 4.33Å; K99-E102 HydrophobicContact CB-CB 4.49Å; K99-E102 HydrophobicContact CB-CG 4Å; K99-E102 PolarHBondContact N-OE2 3.37Å; K99-E102 WeakPolarHBondContact O-CA 3.41Å; K99-E102 WeakPolarHBondContact O-CB 2.8Å; K99-E102 PolarHBondContact O-N 2.98Å; P100-E102 PolarHBondContact O-N 2.95Å; E102-G116 WeakPolarHBondContact O-CA 3.29Å; E102-K117 VanDerWaalsContact CB-O 3.32Å; E102-K117 WeakPolarHBondContact CB-O 3.39Å; E102-K117 WeakPolarHBondContact CG-O 3.41Å; E102-K117 PolarHBondContact O-N 3.27Å; E102-H118 IonicContact OE1-ND1 3.37Å; E102-H118 PolarHBondContact OE1-ND1 3.26Å; E102-H118 IonicContact OE2-CG 3.79Å; E102-H118 IonicContact OE2-ND1 3.03Å; E102-H118 PolarHBondContact OE2-ND1 2.82Å; E102-R121 IonicContact OE1-CZ 2.7Å; E102-R121 IonicContact OE1-NH1 2.71Å; E102-R121 PolarHBondContact OE1-NH1 3.08Å; E102-R121 IonicContact OE1-NH2 2.69Å; E102-R121 PolarHBondContact OE1-NH2 3.38Å |
| 103 | L | 98 | Very high | 94.8 | Very high | 30 Ų | 30 | 56 Ų | 56 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 140.4 | -177.3 | -63.2 | 173 | 0 | 0 | 0 | 111 | V95 F98 P100 E115 F132 L151 | V95-L103 HydrophobicContact CB-CD1 4.09Å; V95-L103 HydrophobicContact CB-CD2 4.06Å; V95-L103 HydrophobicContact CG1-CD2 4.06Å; V95-L103 HydrophobicContact CG2-CD1 3.71Å; F98-L103 HydrophobicContact CB-CD1 4.48Å; F98-L103 HydrophobicContact CB-CD2 3.72Å; F98-L103 HydrophobicContact CB-CG 4.02Å; F98-L103 HydrophobicContact CG-CD2 4.04Å; P100-L103 PolarHBondContact O-N 3.26Å; L103-E115 CarbonylContact C-O 3.55Å; L103-E115 WeakPolarHBondContact CA-O 3.43Å; L103-F132 HydrophobicContact CD2-CE1 4.21Å; L103-F132 HydrophobicContact CD2-CZ 4.16Å; L103-L151 HydrophobicContact CD1-CD1 4.35Å; L103-L151 HydrophobicContact CD1-CD2 4.1Å |
| 104 | N | 98.1 | Very high | 95.1 | Very high | 65 Ų | 65 | 55.9 Ų | 55.9 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 130.3 | 177 | -158.6 | -35.4 | 0 | 0 | 0 | 110.5 | K106 V114 E115 | N104-K106 WeakPolarHBondContact ND2-CE 3.3Å; N104-K106 WeakPolarHBondContact OD1-CE 3.4Å; N104-K106 WeakPolarHBondContact OD1-CG 3.36Å; N104-V114 WeakPolarHBondContact O-CA 3.46Å; N104-E115 HydrophobicContact CB-CB 4.42Å; N104-E115 PolarHBondContact N-O 2.88Å; N104-E115 PolarHBondContact O-N 3.36Å |
| 105 | V | 97.5 | Very high | 95.3 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 24% | 0.242 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 123.5 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | I112 L113 V114 L157 V159 | V105-I112 HydrophobicContact CG1-CG2 3.96Å; V105-L113 WeakPolarHBondContact CA-O 3.45Å; V105-V114 HydrophobicContact CG1-CG2 4.28Å; V105-V114 HydrophobicContact CG2-CG1 4.09Å; V105-V114 HydrophobicContact CG2-CG2 4.17Å; V105-L157 HydrophobicContact CG2-CD2 3.99Å; V105-V159 HydrophobicContact CG1-CG1 4.39Å; V105-V159 HydrophobicContact CG1-CG2 4.27Å; V105-V159 HydrophobicContact CG2-CG2 4.34Å |
| 106 | K | 97 | Very high | 95.5 | Very high | 113 Ų | 113 | 55.4 Ų | 55.4 | 49% | 0.491 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.8 | 179.3 | -63.7 | -179.9 | -177.3 | 166.2 | 0 | 110.8 | N104 I112 L113 | N104-K106 WeakPolarHBondContact ND2-CE 3.3Å; N104-K106 WeakPolarHBondContact OD1-CE 3.4Å; N104-K106 WeakPolarHBondContact OD1-CG 3.36Å; K106-I112 CarbonylContact O-C 3.56Å; K106-I112 WeakPolarHBondContact O-CA 3.44Å; K106-L113 PolarHBondContact N-O 2.84Å; K106-L113 PolarHBondContact O-N 2.87Å |
| 107 | V | 96.4 | Very high | 95.7 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 39% | 0.394 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.1 | 168.2 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | S111 A144 V147 | V107-S111 CarbonylContact C-O 3.47Å; V107-S111 VanDerWaalsContact CA-O 3.29Å; V107-S111 WeakPolarHBondContact CA-O 3.43Å; V107-A144 HydrophobicContact CG1-CB 3.57Å; V107-V147 HydrophobicContact CG2-CB 4.16Å; V107-V147 HydrophobicContact CG2-CG1 4.43Å; V107-V147 HydrophobicContact CG2-CG2 3.87Å |
| 108 | V | 95.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 125.8 | 176.9 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | D110 S111 L113 | V108-D110 PolarHBondContact O-N 3.02Å; V108-S111 PolarHBondContact N-O 2.8Å; V108-S111 WeakPolarHBondContact O-CA 3.48Å; V108-S111 VanDerWaalsContact O-CB 3.24Å; V108-S111 WeakPolarHBondContact O-CB 3.1Å; V108-S111 PolarHBondContact O-N 3.07Å; V108-L113 HydrophobicContact CB-CD1 3.75Å; V108-L113 HydrophobicContact CB-CD2 4.48Å; V108-L113 HydrophobicContact CG2-CD1 4Å; V108-L113 HydrophobicContact CG2-CD2 4.16Å |
| 109 | D | 92.4 | Very high | 95.9 | Very high | 131 Ų | 131 | 62.2 Ų | 62.2 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 62.5 | 175.6 | -50.9 | -33.3 | 0 | 0 | 0 | 113.3 | S111 | D109-S111 PolarHBondContact O-N 2.72Å; D109-S111 PolarHBondContact O-OG 2.83Å; D109-S111 VanDerWaalsContact O-OG 3.08Å |
| 110 | D | 90.8 | Very high | 95.9 | Very high | 118 Ų | 118 | 65.1 Ų | 65.1 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 28.3 | -178.3 | -59 | -37.8 | 0 | 0 | 0 | 114.3 | V108 V138 | V108-D110 PolarHBondContact O-N 3.02Å; D110-V138 VanDerWaalsContact O-CB 3.29Å; D110-V138 WeakPolarHBondContact O-CB 3.43Å; D110-V138 WeakPolarHBondContact O-CG2 3.32Å; D110-V138 PolarHBondContact O-N 3.27Å |
| 111 | S | 94.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.2 | 179.4 | -51.9 | 0 | 0 | 0 | 0 | 111 | V107 V108 D109 R135 Y136 | V107-S111 CarbonylContact C-O 3.47Å; V107-S111 VanDerWaalsContact CA-O 3.29Å; V107-S111 WeakPolarHBondContact CA-O 3.43Å; V108-S111 PolarHBondContact N-O 2.8Å; V108-S111 WeakPolarHBondContact O-CA 3.48Å; V108-S111 VanDerWaalsContact O-CB 3.24Å; V108-S111 WeakPolarHBondContact O-CB 3.1Å; V108-S111 PolarHBondContact O-N 3.07Å; D109-S111 PolarHBondContact O-N 2.72Å; D109-S111 PolarHBondContact O-OG 2.83Å; D109-S111 VanDerWaalsContact O-OG 3.08Å; S111-R135 PolarHBondContact OG-NE 2.99Å; S111-R135 PolarHBondContact OG-NH2 2.83Å; S111-Y136 CarbonylContact C-O 3.6Å; S111-Y136 VanDerWaalsContact CA-O 3.26Å; S111-Y136 WeakPolarHBondContact CA-O 3.44Å |
| 112 | I | 95.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.1 | 171.2 | -51.3 | -179.9 | 0 | 0 | 0 | 107.7 | F89 V105 K106 V114 R135 Y136 V138 V147 V159 I161 | F89-I112 HydrophobicContact CD1-CD1 4.43Å; F89-I112 HydrophobicContact CE1-CD1 3.88Å; V105-I112 HydrophobicContact CG1-CG2 3.96Å; K106-I112 CarbonylContact O-C 3.56Å; K106-I112 WeakPolarHBondContact O-CA 3.44Å; I112-V114 HydrophobicContact CG2-CG2 4.08Å; I112-R135 CarbonylContact O-C 3.56Å; I112-R135 WeakPolarHBondContact O-CA 3.35Å; I112-Y136 PolarHBondContact N-O 3.25Å; I112-Y136 PolarHBondContact O-N 2.87Å; I112-V138 HydrophobicContact CD1-CG2 4.48Å; I112-V138 HydrophobicContact CG1-CG2 3.9Å; I112-V147 HydrophobicContact CD1-CG1 4.16Å; I112-V147 HydrophobicContact CD1-CG2 3.88Å; I112-V147 HydrophobicContact CG1-CG2 4.09Å; I112-V159 HydrophobicContact CD1-CG1 3.84Å; I112-V159 HydrophobicContact CG2-CG1 3.9Å; I112-I161 HydrophobicContact CD1-CD1 4.1Å; I112-I161 HydrophobicContact CD1-CG1 4.35Å |
| 113 | L | 96.1 | Very high | 95 | Very high | 48 Ų | 48 | 68.3 Ų | 68.3 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.4 | 173 | -77.7 | 72.1 | 0 | 0 | 0 | 108.4 | V105 K106 V108 R134 R135 | V105-L113 WeakPolarHBondContact CA-O 3.45Å; K106-L113 PolarHBondContact N-O 2.84Å; K106-L113 PolarHBondContact O-N 2.87Å; V108-L113 HydrophobicContact CB-CD1 3.75Å; V108-L113 HydrophobicContact CB-CD2 4.48Å; V108-L113 HydrophobicContact CG2-CD1 4Å; V108-L113 HydrophobicContact CG2-CD2 4.16Å; L113-R134 WeakPolarHBondContact CA-O 3.34Å; L113-R135 HydrophobicContact CD1-CG 4.11Å; L113-R135 HydrophobicContact CG-CG 4.42Å |
| 114 | V | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 116.7 | 174.4 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | M93 N104 V105 I112 F132 V133 R134 Y136 L157 V159 | M93-V114 HydrophobicContact CE-CB 3.93Å; M93-V114 HydrophobicContact CE-CG1 3.88Å; M93-V114 HydrophobicContact CE-CG2 3.73Å; M93-V114 HydrophobicContact SD-CB 4.07Å; M93-V114 HydrophobicContact SD-CG1 3.48Å; M93-V114 WeakPolarHBondContact SD-CG1 3.26Å; M93-V114 HydrophobicContact SD-CG2 4.46Å; N104-V114 WeakPolarHBondContact O-CA 3.46Å; V105-V114 HydrophobicContact CG1-CG2 4.28Å; V105-V114 HydrophobicContact CG2-CG1 4.09Å; V105-V114 HydrophobicContact CG2-CG2 4.17Å; I112-V114 HydrophobicContact CG2-CG2 4.08Å; V114-F132 HydrophobicContact CB-CE2 4.48Å; V114-F132 HydrophobicContact CG1-CE2 4.01Å; V114-F132 HydrophobicContact CG1-CZ 4.27Å; V114-F132 WeakPolarHBondContact O-CE2 3.3Å; V114-V133 CarbonylContact O-C 3.47Å; V114-V133 WeakPolarHBondContact O-CA 3.42Å; V114-R134 PolarHBondContact N-O 2.92Å; V114-R134 PolarHBondContact O-N 2.75Å; V114-Y136 HydrophobicContact CG2-CE2 4.32Å; V114-L157 HydrophobicContact CG1-CD2 3.59Å; V114-V159 HydrophobicContact CG2-CG2 4.23Å |
| 115 | E | 97.5 | Very high | 94.1 | Very high | 67 Ų | 67 | 79.4 Ų | 79.4 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.7 | 179.9 | 176.8 | 173.4 | -144.6 | 0 | 0 | 109.5 | L103 N104 H131 F132 V133 | L103-E115 CarbonylContact C-O 3.55Å; L103-E115 WeakPolarHBondContact CA-O 3.43Å; N104-E115 HydrophobicContact CB-CB 4.42Å; N104-E115 PolarHBondContact N-O 2.88Å; N104-E115 PolarHBondContact O-N 3.36Å; E115-H131 IonicContact OE1-CD2 3.85Å; E115-H131 IonicContact OE1-CE1 3.72Å; E115-H131 IonicContact OE1-NE2 2.84Å; E115-H131 PolarHBondContact OE1-NE2 3.22Å; E115-F132 VanDerWaalsContact CA-O 3.3Å; E115-F132 WeakPolarHBondContact CA-O 3.4Å; E115-V133 HydrophobicContact CB-CG2 4.34Å; E115-V133 HydrophobicContact CG-CG2 4.09Å |
| 116 | G | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F98 E102 H131 F132 | F98-G116 WeakPolarHBondContact CE1-O 3.29Å; E102-G116 WeakPolarHBondContact O-CA 3.29Å; G116-H131 CarbonylContact O-C 3.58Å; G116-H131 VanDerWaalsContact O-CA 3.32Å; G116-H131 WeakPolarHBondContact O-CA 3.38Å; G116-H131 PolarHBondContact O-CD2 3.32Å; G116-F132 VanDerWaalsContact CA-CE1 3.47Å; G116-F132 PolarHBondContact N-O 2.89Å; G116-F132 PolarHBondContact O-N 3.3Å |
| 117 | K | 97.5 | Very high | 93.6 | Very high | 118 Ų | 118 | 79.4 Ų | 79.4 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 105.4 | -177.5 | -171.6 | -177.3 | 179.1 | -172.2 | 0 | 110.9 | E102 | E102-K117 VanDerWaalsContact CB-O 3.32Å; E102-K117 WeakPolarHBondContact CB-O 3.39Å; E102-K117 WeakPolarHBondContact CG-O 3.41Å; E102-K117 PolarHBondContact O-N 3.27Å |
| 118 | H | 94.5 | Very high | 93.4 | Very high | 17 Ų | 17 | 78.2 Ų | 78.2 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.7 | 174.4 | -175.8 | 87.9 | 0 | 0 | 0 | 109 | F98 E102 R121 M129 R130 | F98-H118 HydrophobicContact CD1-CB 3.97Å; F98-H118 HydrophobicContact CE1-CB 3.82Å; E102-H118 IonicContact OE1-ND1 3.37Å; E102-H118 PolarHBondContact OE1-ND1 3.26Å; E102-H118 IonicContact OE2-CG 3.79Å; E102-H118 IonicContact OE2-ND1 3.03Å; E102-H118 PolarHBondContact OE2-ND1 2.82Å; H118-R121 PolarHBondContact CE1-NH1 2.81Å; H118-M129 WeakPolarHBondContact O-CG 3.07Å; H118-R130 HydrophobicContact CB-CB 4.01Å; H118-R130 PolarHBondContact N-O 2.82Å; H118-R130 PolarHBondContact O-N 2.95Å; H118-R130 VanDerWaalsContact O-N 3.11Å |
| 119 | E | 95 | Very high | 93.4 | Very high | 128 Ų | 128 | 81.6 Ų | 81.6 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 161.8 | 175 | -64 | -176.3 | 160.8 | 0 | 0 | 111.5 | R121 | E119-R121 PolarHBondContact O-N 2.76Å; E119-R121 VanDerWaalsContact O-N 3.16Å |
| 120 | E | 95.6 | Very high | 93.5 | Very high | 136 Ų | 136 | 77.5 Ų | 77.5 | 64% | 0.636 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 119.9 | 179.3 | -171.9 | 172 | -158 | 0 | 0 | 111 | H127 I128 M129 | E120-H127 HydrophobicContact CG-CB 3.99Å; E120-H127 WeakPolarHBondContact OE1-CB 3.25Å; E120-I128 WeakPolarHBondContact CA-O 3.46Å; E120-M129 HydrophobicContact CB-CB 4.32Å |
| 121 | R | 91.4 | Very high | 93.7 | Very high | 92 Ų | 92 | 77 Ų | 77 | 35% | 0.347 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 159.6 | 174.4 | -64.3 | -172.3 | -164.1 | 129.8 | 10.5 | 110.2 | E102 H118 E119 H127 I128 | E102-R121 IonicContact OE1-CZ 2.7Å; E102-R121 IonicContact OE1-NH1 2.71Å; E102-R121 PolarHBondContact OE1-NH1 3.08Å; E102-R121 IonicContact OE1-NH2 2.69Å; E102-R121 PolarHBondContact OE1-NH2 3.38Å; H118-R121 PolarHBondContact CE1-NH1 2.81Å; E119-R121 PolarHBondContact O-N 2.76Å; E119-R121 VanDerWaalsContact O-N 3.16Å; R121-H127 CarbonylContact O-C 3.58Å; R121-H127 WeakPolarHBondContact O-CA 3.25Å; R121-I128 PolarHBondContact N-O 2.76Å; R121-I128 PolarHBondContact O-N 3.05Å |
| 122 | Q | 91.5 | Very high | 93.8 | Very high | 154 Ų | 154 | 78.5 Ų | 78.5 | 72% | 0.72 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 129.4 | 174.7 | -163.5 | 163.9 | 1.8 | 0 | 0 | 109.9 | G126 | Q122-G126 CarbonylContact C-O 3.47Å; Q122-G126 WeakPolarHBondContact CA-O 3.31Å; Q122-G126 WeakPolarHBondContact CG-O 3.4Å |
| 123 | D | 86.5 | Confident | 93.8 | Very high | 45 Ų | 45 | 82.5 Ų | 82.5 | 24% | 0.241 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -175.1 | 169.6 | 74.9 | 1 | 0 | 0 | 0 | 110.5 | H125 G126 I128 R130 | D123-H125 PolarHBondContact O-N 3.22Å; D123-H125 WeakPolarHBondContact OD1-CA 3.46Å; D123-H125 PolarHBondContact OD1-N 2.96Å; D123-G126 PolarHBondContact N-O 2.83Å; D123-G126 PolarHBondContact O-N 2.98Å; D123-G126 PolarHBondContact OD1-N 2.47Å; D123-G126 VanDerWaalsContact OD1-N 3.17Å; D123-I128 HydrophobicContact CB-CG2 3.85Å; D123-I128 VanDerWaalsContact OD2-CG2 3.25Å; D123-I128 WeakPolarHBondContact OD2-CG2 3.3Å; D123-R130 IonicContact OD2-NH2 3.84Å |
| 124 | D | 88 | Confident | 93.7 | Very high | 151 Ų | 151 | 83.9 Ų | 83.9 | 81% | 0.807 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -14.7 | -178.8 | -63.2 | -31.4 | 0 | 0 | 0 | 113.9 | ||
| 125 | H | 89 | Confident | 93.6 | Very high | 177 Ų | 177 | 91.2 Ų | 91.2 | 82% | 0.819 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 3.1 | -174.6 | -58.9 | -54.6 | 0 | 0 | 0 | 113.9 | D123 | D123-H125 PolarHBondContact O-N 3.22Å; D123-H125 WeakPolarHBondContact OD1-CA 3.46Å; D123-H125 PolarHBondContact OD1-N 2.96Å |
| 126 | G | 93 | Very high | 93.4 | Very high | 27 Ų | 27 | 89.5 Ų | 89.5 | 28% | 0.278 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.5 | -134.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q122 D123 | Q122-G126 CarbonylContact C-O 3.47Å; Q122-G126 WeakPolarHBondContact CA-O 3.31Å; Q122-G126 WeakPolarHBondContact CG-O 3.4Å; D123-G126 PolarHBondContact N-O 2.83Å; D123-G126 PolarHBondContact O-N 2.98Å; D123-G126 PolarHBondContact OD1-N 2.47Å; D123-G126 VanDerWaalsContact OD1-N 3.17Å |
| 127 | H | 92.8 | Very high | 93.2 | Very high | 127 Ų | 127 | 96.6 Ų | 96.6 | 59% | 0.588 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.3 | 175.8 | -65 | -79.6 | 0 | 0 | 0 | 110.1 | E120 R121 | E120-H127 HydrophobicContact CG-CB 3.99Å; E120-H127 WeakPolarHBondContact OE1-CB 3.25Å; R121-H127 CarbonylContact O-C 3.58Å; R121-H127 WeakPolarHBondContact O-CA 3.25Å |
| 128 | I | 91.7 | Very high | 93 | Very high | 39 Ų | 39 | 91.3 Ų | 91.3 | 20% | 0.2 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.7 | -179.7 | -168 | 135.9 | 0 | 0 | 0 | 111.4 | E120 R121 D123 R130 | E120-I128 WeakPolarHBondContact CA-O 3.46Å; R121-I128 PolarHBondContact N-O 2.76Å; R121-I128 PolarHBondContact O-N 3.05Å; D123-I128 HydrophobicContact CB-CG2 3.85Å; D123-I128 VanDerWaalsContact OD2-CG2 3.25Å; D123-I128 WeakPolarHBondContact OD2-CG2 3.3Å; I128-R130 HydrophobicContact CG1-CG 3.97Å |
| 129 | M | 94.8 | Very high | 92.9 | Very high | 131 Ų | 131 | 92 Ų | 92 | 65% | 0.645 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.6 | 168.3 | -170.8 | -174 | 86.1 | 0 | 0 | 107.9 | H118 E120 | H118-M129 WeakPolarHBondContact O-CG 3.07Å; E120-M129 HydrophobicContact CB-CB 4.32Å |
| 130 | R | 93.7 | Very high | 92.8 | Very high | 45 Ų | 45 | 92.8 Ų | 92.8 | 17% | 0.17 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.3 | 178.7 | -54.8 | -179.2 | 178.5 | 91.2 | -4.7 | 109.8 | Y21 Q97 F98 H118 D123 I128 | Y21-R130 PolarHBondContact OH-NE 2.77Å; Q97-R130 VanDerWaalsContact OE1-CD 3.31Å; F98-R130 HydrophobicContact CE1-CB 4.01Å; F98-R130 HydrophobicContact CZ-CB 3.66Å; H118-R130 HydrophobicContact CB-CB 4.01Å; H118-R130 PolarHBondContact N-O 2.82Å; H118-R130 PolarHBondContact O-N 2.95Å; H118-R130 VanDerWaalsContact O-N 3.11Å; D123-R130 IonicContact OD2-NH2 3.84Å; I128-R130 HydrophobicContact CG1-CG 3.97Å |
| 131 | H | 96.9 | Very high | 92.5 | Very high | 108 Ų | 108 | 89.3 Ų | 89.3 | 50% | 0.5 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 131 | 173.5 | -178 | -151 | 0 | 0 | 0 | 109.3 | E115 G116 | E115-H131 IonicContact OE1-CD2 3.85Å; E115-H131 IonicContact OE1-CE1 3.72Å; E115-H131 IonicContact OE1-NE2 2.84Å; E115-H131 PolarHBondContact OE1-NE2 3.22Å; G116-H131 CarbonylContact O-C 3.58Å; G116-H131 VanDerWaalsContact O-CA 3.32Å; G116-H131 WeakPolarHBondContact O-CA 3.38Å; G116-H131 PolarHBondContact O-CD2 3.32Å |
| 132 | F | 95.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 86.5 Ų | 86.5 | 17% | 0.167 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 150.7 | 169.9 | 79 | -96.3 | 0 | 0 | 0 | 110.9 | M93 V95 F98 L103 V114 E115 G116 R134 | M93-F132 HydrophobicContact SD-CE2 4.26Å; M93-F132 HydrophobicContact SD-CZ 4.37Å; V95-F132 HydrophobicContact CG1-CE1 4.04Å; V95-F132 HydrophobicContact CG1-CZ 3.78Å; F98-F132 HydrophobicContact CD2-CD1 4.38Å; F98-F132 AromaticContact CD2-CE1 3.91Å; F98-F132 HydrophobicContact CD2-CE1 3.91Å; F98-F132 HydrophobicContact CE1-CD1 4.13Å; F98-F132 HydrophobicContact CE1-CE1 4.27Å; F98-F132 AromaticContact CE2-CD1 3.62Å; F98-F132 HydrophobicContact CE2-CD1 3.62Å; F98-F132 AromaticContact CE2-CE1 3.6Å; F98-F132 HydrophobicContact CE2-CE1 3.6Å; F98-F132 HydrophobicContact CG-CE1 4.38Å; F98-F132 AromaticContact CZ-CD1 3.47Å; F98-F132 HydrophobicContact CZ-CD1 3.47Å; F98-F132 VanDerWaalsContact CZ-CD1 3.47Å; F98-F132 AromaticContact CZ-CE1 3.8Å; F98-F132 HydrophobicContact CZ-CE1 3.8Å; L103-F132 HydrophobicContact CD2-CE1 4.21Å; L103-F132 HydrophobicContact CD2-CZ 4.16Å; V114-F132 HydrophobicContact CB-CE2 4.48Å; V114-F132 HydrophobicContact CG1-CE2 4.01Å; V114-F132 HydrophobicContact CG1-CZ 4.27Å; V114-F132 WeakPolarHBondContact O-CE2 3.3Å; E115-F132 VanDerWaalsContact CA-O 3.3Å; E115-F132 WeakPolarHBondContact CA-O 3.4Å; G116-F132 VanDerWaalsContact CA-CE1 3.47Å; G116-F132 PolarHBondContact N-O 2.89Å; G116-F132 PolarHBondContact O-N 3.3Å; F132-R134 HydrophobicContact CD2-CG 3.99Å; F132-R134 HydrophobicContact CE2-CG 4.43Å |
| 133 | V | 95.2 | Very high | 92.6 | Very high | 85 Ų | 85 | 85.2 Ų | 85.2 | 52% | 0.515 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.5 | 167.3 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | V114 E115 | V114-V133 CarbonylContact O-C 3.47Å; V114-V133 WeakPolarHBondContact O-CA 3.42Å; E115-V133 HydrophobicContact CB-CG2 4.34Å; E115-V133 HydrophobicContact CG-CG2 4.09Å |
| 134 | R | 93.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 84.1 Ų | 84.1 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130 | 175.6 | -68 | -177.2 | -172.5 | -162.4 | 9.4 | 109.8 | P79 L113 V114 F132 Y136 | P79-R134 VanDerWaalsContact CB-NH1 3.28Å; L113-R134 WeakPolarHBondContact CA-O 3.34Å; V114-R134 PolarHBondContact N-O 2.92Å; V114-R134 PolarHBondContact O-N 2.75Å; F132-R134 HydrophobicContact CD2-CG 3.99Å; F132-R134 HydrophobicContact CE2-CG 4.43Å; R134-Y136 HydrophobicContact CB-CE2 3.82Å; R134-Y136 WeakPolarHBondContact CD-OH 3.42Å |
| 135 | R | 94.2 | Very high | 93.1 | Very high | 154 Ų | 154 | 85.8 Ų | 85.8 | 58% | 0.581 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128 | 177.8 | -174.7 | 179.3 | 179.5 | 168.9 | 7.6 | 109.6 | S111 I112 L113 | S111-R135 PolarHBondContact OG-NE 2.99Å; S111-R135 PolarHBondContact OG-NH2 2.83Å; I112-R135 CarbonylContact O-C 3.56Å; I112-R135 WeakPolarHBondContact O-CA 3.35Å; L113-R135 HydrophobicContact CD1-CG 4.11Å; L113-R135 HydrophobicContact CG-CG 4.42Å |
| 136 | Y | 93.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 80.9 Ų | 80.9 | 13% | 0.125 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 124.9 | 173.2 | -55.8 | -82.4 | 0 | 0 | 0 | 108.9 | A82 V91 M93 S111 I112 V114 R134 V138 | A82-Y136 HydrophobicContact CB-CD1 4.02Å; V91-Y136 HydrophobicContact CG1-CD1 4.17Å; V91-Y136 HydrophobicContact CG1-CD2 4.33Å; V91-Y136 HydrophobicContact CG1-CE1 3.63Å; V91-Y136 HydrophobicContact CG1-CE2 3.82Å; V91-Y136 HydrophobicContact CG1-CG 4.48Å; V91-Y136 VanDerWaalsContact CG1-CZ 3.43Å; V91-Y136 HydrophobicContact CG2-CD1 3.84Å; V91-Y136 HydrophobicContact CG2-CD2 4.38Å; V91-Y136 HydrophobicContact CG2-CE1 4.13Å; V91-Y136 HydrophobicContact CG2-CG 3.96Å; M93-Y136 HydrophobicContact CE-CE2 3.68Å; S111-Y136 CarbonylContact C-O 3.6Å; S111-Y136 VanDerWaalsContact CA-O 3.26Å; S111-Y136 WeakPolarHBondContact CA-O 3.44Å; I112-Y136 PolarHBondContact N-O 3.25Å; I112-Y136 PolarHBondContact O-N 2.87Å; V114-Y136 HydrophobicContact CG2-CE2 4.32Å; R134-Y136 HydrophobicContact CB-CE2 3.82Å; R134-Y136 WeakPolarHBondContact CD-OH 3.42Å; Y136-V138 PolarHBondContact O-N 2.9Å |
| 137 | K | 93.3 | Very high | 93.4 | Very high | 148 Ų | 148 | 81.1 Ų | 81.1 | 64% | 0.643 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.7 | 173.4 | -171.4 | -177.6 | 175 | -169.3 | 0 | 108.8 | ||
| 138 | V | 93.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 78.4 Ų | 78.4 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 128.7 | 171.5 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | D110 I112 Y136 A144 I161 | D110-V138 VanDerWaalsContact O-CB 3.29Å; D110-V138 WeakPolarHBondContact O-CB 3.43Å; D110-V138 WeakPolarHBondContact O-CG2 3.32Å; D110-V138 PolarHBondContact O-N 3.27Å; I112-V138 HydrophobicContact CD1-CG2 4.48Å; I112-V138 HydrophobicContact CG1-CG2 3.9Å; Y136-V138 PolarHBondContact O-N 2.9Å; V138-A144 HydrophobicContact CG2-CB 4.25Å; V138-I161 HydrophobicContact CB-CD1 4.36Å; V138-I161 HydrophobicContact CG1-CD1 3.65Å; V138-I161 HydrophobicContact CG2-CD1 3.97Å |
| 139 | P | 92.5 | Very high | 93.8 | Very high | 32 Ų | 32 | 79.5 Ų | 79.5 | 21% | 0.208 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 152.3 | 177.9 | -18.6 | 29.9 | 0 | 0 | 0 | 112 | V84 F89 G141 Y142 | V84-P139 HydrophobicContact CG2-CB 4.21Å; V84-P139 HydrophobicContact CG2-CG 3.79Å; F89-P139 HydrophobicContact CB-CG 4.07Å; F89-P139 HydrophobicContact CD2-CG 3.25Å; F89-P139 HydrophobicContact CE2-CG 3.66Å; F89-P139 HydrophobicContact CG-CG 3.71Å; F89-P139 HydrophobicContact CZ-CG 4.46Å; P139-G141 PolarHBondContact O-N 2.88Å; P139-Y142 HydrophobicContact CB-CD2 3.78Å; P139-Y142 HydrophobicContact CB-CE2 4.21Å; P139-Y142 HydrophobicContact CG-CD2 4.25Å; P139-Y142 WeakPolarHBondContact O-CB 3.38Å; P139-Y142 PolarHBondContact O-N 3.06Å |
| 140 | D | 91.3 | Very high | 93.9 | Very high | 144 Ų | 144 | 79.4 Ų | 79.4 | 77% | 0.77 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 138.5 | 179.7 | -56.4 | -34.3 | 0 | 0 | 0 | 111.1 | Y142 | D140-Y142 VanDerWaalsContact C-N 3.27Å; D140-Y142 PolarHBondContact O-N 3.48Å |
| 141 | G | 90.7 | Very high | 94.1 | Very high | 63 Ų | 63 | 80.7 Ų | 80.7 | 65% | 0.649 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -14.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P139 P164 | P139-G141 PolarHBondContact O-N 2.88Å; G141-P164 WeakPolarHBondContact O-CG 3.48Å |
| 142 | Y | 93.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 77.7 Ų | 77.7 | 13% | 0.125 | 40% | 0.401 | C | S | . | . | trans | -81.7 | 140.1 | 172.7 | -74.2 | -102.7 | 0 | 0 | 0 | 110.8 | V84 F89 P139 D140 I161 P162 P164 | V84-Y142 HydrophobicContact CG1-CE2 4.32Å; V84-Y142 VanDerWaalsContact CG1-OH 3.32Å; V84-Y142 WeakPolarHBondContact CG1-OH 3.24Å; F89-Y142 HydrophobicContact CB-CD1 3.97Å; F89-Y142 HydrophobicContact CB-CE1 3.82Å; F89-Y142 VanDerWaalsContact N-CE1 3.31Å; P139-Y142 HydrophobicContact CB-CD2 3.78Å; P139-Y142 HydrophobicContact CB-CE2 4.21Å; P139-Y142 HydrophobicContact CG-CD2 4.25Å; P139-Y142 WeakPolarHBondContact O-CB 3.38Å; P139-Y142 PolarHBondContact O-N 3.06Å; D140-Y142 VanDerWaalsContact C-N 3.27Å; D140-Y142 PolarHBondContact O-N 3.48Å; Y142-I161 HydrophobicContact CD1-CB 3.83Å; Y142-I161 HydrophobicContact CD1-CG2 3.71Å; Y142-I161 HydrophobicContact CG-CG2 4.42Å; Y142-P162 WeakPolarHBondContact CD1-O 3.2Å; Y142-P162 WeakPolarHBondContact CE1-O 3.36Å; Y142-P164 HydrophobicContact CD1-CG 4.26Å; Y142-P164 HydrophobicContact CD2-CG 4.17Å; Y142-P164 HydrophobicContact CE1-CG 4.44Å; Y142-P164 HydrophobicContact CE2-CG 4.34Å; Y142-P164 HydrophobicContact CG-CG 4.13Å | ||
| 143 | K | 91.8 | Very high | 93.8 | Very high | 127 Ų | 127 | 81.5 Ų | 81.5 | 55% | 0.552 | 43% | 0.432 | S | S | * | . | trans | -92.5 | 119.7 | 179.2 | -66.2 | -175.8 | 179 | -175.5 | 0 | 109.9 | E145 Q146 I161 | K143-E145 PolarHBondContact O-N 3.26Å; K143-Q146 HydrophobicContact CB-CG 3.99Å; K143-Q146 WeakPolarHBondContact O-CB 3.44Å; K143-Q146 PolarHBondContact O-N 3Å; K143-I161 WeakPolarHBondContact O-CG2 3.26Å | ||
| 144 | A | 91.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 81 Ų | 81 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -64.8 | -22.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V107 V138 Q146 V147 | V107-A144 HydrophobicContact CG1-CB 3.57Å; V138-A144 HydrophobicContact CG2-CB 4.25Å; A144-Q146 PolarHBondContact O-N 2.67Å; A144-V147 WeakPolarHBondContact O-CB 3.25Å; A144-V147 WeakPolarHBondContact O-CG2 3.44Å; A144-V147 PolarHBondContact O-N 3.37Å |
| 145 | E | 92.1 | Very high | 93.4 | Very high | 186 Ų | 186 | 77.7 Ų | 77.7 | 87% | 0.869 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -63 | -21.7 | 171.6 | -62.1 | 173.9 | -175.7 | 0 | 0 | 113.5 | K143 V147 | K143-E145 PolarHBondContact O-N 3.26Å; E145-V147 VanDerWaalsContact C-N 3.34Å |
| 146 | Q | 94.3 | Very high | 93.4 | Very high | 75 Ų | 75 | 72.3 Ų | 72.3 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -94.3 | 9.3 | -178.5 | -59.8 | -178 | -35.3 | 0 | 0 | 112.6 | K143 A144 V148 I161 P162 | K143-Q146 HydrophobicContact CB-CG 3.99Å; K143-Q146 WeakPolarHBondContact O-CB 3.44Å; K143-Q146 PolarHBondContact O-N 3Å; A144-Q146 PolarHBondContact O-N 2.67Å; Q146-V148 PolarHBondContact O-N 2.78Å; Q146-I161 HydrophobicContact CB-CG2 4.04Å; Q146-P162 HydrophobicContact CB-CG 3.83Å; Q146-P162 WeakPolarHBondContact O-CD 3.39Å |
| 147 | V | 95.7 | Very high | 93.5 | Very high | 32 Ų | 32 | 71.2 Ų | 71.2 | 19% | 0.194 | 40% | 0.397 | C | S | . | . | trans | -63.1 | 127.3 | 176 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | V107 I112 A144 E145 V159 S160 I161 | V107-V147 HydrophobicContact CG2-CB 4.16Å; V107-V147 HydrophobicContact CG2-CG1 4.43Å; V107-V147 HydrophobicContact CG2-CG2 3.87Å; I112-V147 HydrophobicContact CD1-CG1 4.16Å; I112-V147 HydrophobicContact CD1-CG2 3.88Å; I112-V147 HydrophobicContact CG1-CG2 4.09Å; A144-V147 WeakPolarHBondContact O-CB 3.25Å; A144-V147 WeakPolarHBondContact O-CG2 3.44Å; A144-V147 PolarHBondContact O-N 3.37Å; E145-V147 VanDerWaalsContact C-N 3.34Å; V147-V159 HydrophobicContact CG1-CG1 3.72Å; V147-S160 WeakPolarHBondContact CA-O 3.41Å; V147-I161 HydrophobicContact CB-CG1 4.4Å; V147-I161 HydrophobicContact CG2-CD1 3.69Å; V147-I161 HydrophobicContact CG2-CG1 3.57Å | ||
| 148 | V | 96.5 | Very high | 93.6 | Very high | 70 Ų | 70 | 65.6 Ų | 65.6 | 42% | 0.424 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.5 | 174.2 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | Q146 Q150 V159 S160 | Q146-V148 PolarHBondContact O-N 2.78Å; V148-Q150 HydrophobicContact CG1-CG 4.47Å; V148-V159 WeakPolarHBondContact O-CA 3.42Å; V148-S160 PolarHBondContact N-O 2.69Å; V148-S160 PolarHBondContact O-N 2.7Å |
| 149 | S | 96.3 | Very high | 93.7 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143.8 | 174 | 65.7 | 0 | 0 | 0 | 0 | 111 | T158 | S149-T158 CarbonylContact C-O 3.16Å; S149-T158 VanDerWaalsContact CA-O 3.3Å; S149-T158 WeakPolarHBondContact CA-O 3.21Å |
| 150 | Q | 96.5 | Very high | 93.8 | Very high | 129 Ų | 129 | 65.2 Ų | 65.2 | 60% | 0.603 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 132.7 | 178.7 | -62 | -179.9 | 12.6 | 0 | 0 | 108.6 | V148 L157 T158 | V148-Q150 HydrophobicContact CG1-CG 4.47Å; Q150-L157 CarbonylContact O-C 3.54Å; Q150-L157 WeakPolarHBondContact O-CA 3.33Å; Q150-T158 PolarHBondContact N-O 3.37Å; Q150-T158 PolarHBondContact O-N 3.11Å |
| 151 | L | 96.5 | Very high | 94 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.9 | 175.3 | 179.1 | 63.8 | 0 | 0 | 0 | 108.7 | V95 P100 L103 L157 | V95-L151 HydrophobicContact CG2-CD1 3.62Å; P100-L151 HydrophobicContact CB-CD2 3.86Å; P100-L151 HydrophobicContact CG-CD2 3.72Å; L103-L151 HydrophobicContact CD1-CD1 4.35Å; L103-L151 HydrophobicContact CD1-CD2 4.1Å; L151-L157 HydrophobicContact CD1-CB 4.05Å |
| 152 | S | 94.2 | Very high | 94.2 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | trans | -80.6 | 157.9 | 175.6 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | D154 G155 V156 | S152-D154 WeakPolarHBondContact CB-OD1 3.32Å; S152-D154 PolarHBondContact O-N 2.79Å; S152-D154 PolarHBondContact OG-OD1 3.41Å; S152-G155 PolarHBondContact O-N 2.9Å; S152-V156 PolarHBondContact N-O 2.91Å; S152-V156 WeakPolarHBondContact OG-CA 3.21Å; S152-V156 VanDerWaalsContact OG-CB 3.31Å; S152-V156 WeakPolarHBondContact OG-CB 3.3Å; S152-V156 PolarHBondContact OG-N 3.02Å; S152-V156 PolarHBondContact OG-O 3.17Å | ||
| 153 | S | 92.6 | Very high | 94.1 | Very high | 117 Ų | 117 | 62.8 Ų | 62.8 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.1 | -177.7 | 54.9 | 0 | 0 | 0 | 0 | 114 | G155 | S153-G155 VanDerWaalsContact C-N 3.25Š|
| 154 | D | 89.2 | Confident | 93.9 | Very high | 75 Ų | 75 | 58.8 Ų | 58.8 | 40% | 0.401 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.8 | 174.7 | 62.9 | -24.8 | 0 | 0 | 0 | 113.5 | R17 S152 | R17-D154 PolarHBondContact NH1-O 3.22Å; S152-D154 WeakPolarHBondContact CB-OD1 3.32Å; S152-D154 PolarHBondContact O-N 2.79Å; S152-D154 PolarHBondContact OG-OD1 3.41Å |
| 155 | G | 91.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 66.5 Ų | 66.5 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 91.7 | 23.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V95 A96 S152 S153 | V95-G155 CarbonylContact C-O 3.49Å; V95-G155 VanDerWaalsContact CG2-O 3.25Å; V95-G155 WeakPolarHBondContact CG2-O 3.48Å; V95-G155 PolarHBondContact N-O 2.84Å; A96-G155 PolarHBondContact N-O 3.1Å; S152-G155 PolarHBondContact O-N 2.9Å; S153-G155 VanDerWaalsContact C-N 3.25Å |
| 156 | V | 94.7 | Very high | 92.3 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 113.7 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | C92 M93 S152 | C92-V156 HydrophobicContact CB-CG1 4.15Å; M93-V156 CarbonylContact O-C 3.46Å; M93-V156 VanDerWaalsContact O-CA 3.3Å; M93-V156 WeakPolarHBondContact O-CA 3.33Å; S152-V156 PolarHBondContact N-O 2.91Å; S152-V156 WeakPolarHBondContact OG-CA 3.21Å; S152-V156 VanDerWaalsContact OG-CB 3.31Å; S152-V156 WeakPolarHBondContact OG-CB 3.3Å; S152-V156 PolarHBondContact OG-N 3.02Å; S152-V156 PolarHBondContact OG-O 3.17Å |
| 157 | L | 95.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.2 | 172.1 | 172.5 | 66 | 0 | 0 | 0 | 109.8 | C92 M93 V95 V105 V114 Q150 L151 V159 | C92-L157 CarbonylContact C-O 3.57Å; C92-L157 WeakPolarHBondContact CA-O 3.31Å; M93-L157 HydrophobicContact CG-CB 3.62Å; M93-L157 HydrophobicContact CG-CD2 4Å; M93-L157 HydrophobicContact CG-CG 4.01Å; M93-L157 WeakPolarHBondContact CG-O 3.38Å; M93-L157 PolarHBondContact N-O 3.03Å; M93-L157 PolarHBondContact O-N 3.37Å; M93-L157 HydrophobicContact SD-CD2 3.97Å; V95-L157 HydrophobicContact CG1-CB 4.43Å; V95-L157 HydrophobicContact CG2-CB 3.67Å; V105-L157 HydrophobicContact CG2-CD2 3.99Å; V114-L157 HydrophobicContact CG1-CD2 3.59Å; Q150-L157 CarbonylContact O-C 3.54Å; Q150-L157 WeakPolarHBondContact O-CA 3.33Å; L151-L157 HydrophobicContact CD1-CB 4.05Å; L157-V159 HydrophobicContact CD1-CG2 4.42Å; L157-V159 HydrophobicContact CD2-CG2 4.5Å; L157-V159 HydrophobicContact CG-CG2 4.18Å |
| 158 | T | 94.3 | Very high | 88.8 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 18% | 0.184 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.9 | 172.9 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | Q90 V91 C92 S149 Q150 | Q90-T158 HydrophobicContact CG-CG2 3.81Å; V91-T158 CarbonylContact O-C 3.53Å; V91-T158 WeakPolarHBondContact O-CA 3.41Å; C92-T158 PolarHBondContact SG-OG1 2.66Å; C92-T158 VanDerWaalsContact SG-OG1 3.37Å; S149-T158 CarbonylContact C-O 3.16Å; S149-T158 VanDerWaalsContact CA-O 3.3Å; S149-T158 WeakPolarHBondContact CA-O 3.21Å; Q150-T158 PolarHBondContact N-O 3.37Å; Q150-T158 PolarHBondContact O-N 3.11Å |
| 159 | V | 95.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.006 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.7 | 171.9 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | Q90 V91 V105 I112 V114 V147 V148 L157 | Q90-V159 WeakPolarHBondContact CA-O 3.33Å; V91-V159 PolarHBondContact N-O 3.19Å; V91-V159 PolarHBondContact O-N 2.91Å; V105-V159 HydrophobicContact CG1-CG1 4.39Å; V105-V159 HydrophobicContact CG1-CG2 4.27Å; V105-V159 HydrophobicContact CG2-CG2 4.34Å; I112-V159 HydrophobicContact CD1-CG1 3.84Å; I112-V159 HydrophobicContact CG2-CG1 3.9Å; V114-V159 HydrophobicContact CG2-CG2 4.23Å; V147-V159 HydrophobicContact CG1-CG1 3.72Å; V148-V159 WeakPolarHBondContact O-CA 3.42Å; L157-V159 HydrophobicContact CD1-CG2 4.42Å; L157-V159 HydrophobicContact CD2-CG2 4.5Å; L157-V159 HydrophobicContact CG-CG2 4.18Å |
| 160 | S | 95.2 | Very high | 84.7 | Confident | 31 Ų | 31 | 79.1 Ų | 79.1 | 22% | 0.217 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153.5 | -173.3 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | F89 V147 V148 | F89-S160 CarbonylContact O-C 3.55Å; F89-S160 WeakPolarHBondContact O-CA 3.38Å; V147-S160 WeakPolarHBondContact CA-O 3.41Å; V148-S160 PolarHBondContact N-O 2.69Å; V148-S160 PolarHBondContact O-N 2.7Å |
| 161 | I | 95.8 | Very high | 83.1 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.005 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.5 | 168.1 | -50.2 | 173.5 | 0 | 0 | 0 | 106.6 | G88 F89 I112 V138 Y142 K143 Q146 V147 | G88-I161 CarbonylContact C-O 3.52Å; G88-I161 WeakPolarHBondContact CA-O 3.36Å; F89-I161 HydrophobicContact CB-CB 4.26Å; F89-I161 HydrophobicContact CD1-CD1 3.88Å; F89-I161 HydrophobicContact CD1-CG1 4.01Å; F89-I161 PolarHBondContact N-O 2.82Å; F89-I161 PolarHBondContact O-N 2.86Å; I112-I161 HydrophobicContact CD1-CD1 4.1Å; I112-I161 HydrophobicContact CD1-CG1 4.35Å; V138-I161 HydrophobicContact CB-CD1 4.36Å; V138-I161 HydrophobicContact CG1-CD1 3.65Å; V138-I161 HydrophobicContact CG2-CD1 3.97Å; Y142-I161 HydrophobicContact CD1-CB 3.83Å; Y142-I161 HydrophobicContact CD1-CG2 3.71Å; Y142-I161 HydrophobicContact CG-CG2 4.42Å; K143-I161 WeakPolarHBondContact O-CG2 3.26Å; Q146-I161 HydrophobicContact CB-CG2 4.04Å; V147-I161 HydrophobicContact CB-CG1 4.4Å; V147-I161 HydrophobicContact CG2-CD1 3.69Å; V147-I161 HydrophobicContact CG2-CG1 3.57Å |
| 162 | P | 94.2 | Very high | 81.9 | Confident | 59 Ų | 59 | 82.9 Ų | 82.9 | 38% | 0.383 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 149 | 178.8 | 27 | -34.8 | 0 | 0 | 0 | 110.1 | Y142 Q146 | Y142-P162 WeakPolarHBondContact CD1-O 3.2Å; Y142-P162 WeakPolarHBondContact CE1-O 3.36Å; Q146-P162 HydrophobicContact CB-CG 3.83Å; Q146-P162 WeakPolarHBondContact O-CD 3.39Å |
| 163 | K | 91.1 | Very high | 81.1 | Confident | 128 Ų | 128 | 88.7 Ų | 88.7 | 56% | 0.557 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -54 | 133.3 | 174 | -169.3 | 174.8 | -178.8 | 176.6 | 0 | 109.7 | D87 Q165 | D87-K163 PolarHBondContact O-N 3.36Å; D87-K163 VanDerWaalsContact O-N 3.12Å; K163-Q165 PolarHBondContact O-N 3.1Å |
| 164 | P | 87.1 | Confident | 80.7 | Confident | 44 Ų | 44 | 93.3 Ų | 93.3 | 29% | 0.286 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 129.9 | 173 | -24.5 | 34 | 0 | 0 | 0 | 108.1 | G141 Y142 A166 | G141-P164 WeakPolarHBondContact O-CG 3.48Å; Y142-P164 HydrophobicContact CD1-CG 4.26Å; Y142-P164 HydrophobicContact CD2-CG 4.17Å; Y142-P164 HydrophobicContact CE1-CG 4.44Å; Y142-P164 HydrophobicContact CE2-CG 4.34Å; Y142-P164 HydrophobicContact CG-CG 4.13Å; P164-A166 PolarHBondContact O-N 3.03Å |
| 165 | Q | 79.7 | Confident | 80.6 | Confident | 184 Ų | 184 | 96.7 Ų | 96.7 | 86% | 0.86 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 117.1 | 167.6 | -70.1 | 178.6 | -7.2 | 0 | 0 | 105.3 | K163 V167 | K163-Q165 PolarHBondContact O-N 3.1Å; Q165-V167 PolarHBondContact O-N 2.83Å; Q165-V167 VanDerWaalsContact O-N 3.14Å |
| 166 | A | 70.7 | Confident | 80.4 | Confident | 82 Ų | 82 | 103.1 Ų | 103.1 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -48.2 | 130.9 | 161 | 0 | 0 | 0 | 0 | 0 | 104 | P164 E168 | P164-A166 PolarHBondContact O-N 3.03Å; A166-E168 PolarHBondContact O-N 3.16Å |
| 167 | V | 59.7 | Low | 80.3 | Confident | 132 Ų | 132 | 108.8 Ų | 108.8 | 80% | 0.8 | 55% | 0.549 | S | S | * | . | trans | -57.8 | 91.9 | 166.5 | -179.7 | 0 | 0 | 0 | 0 | 102.8 | Q165 D169 | Q165-V167 PolarHBondContact O-N 2.83Å; Q165-V167 VanDerWaalsContact O-N 3.14Å; V167-D169 VanDerWaalsContact C-N 3.26Å; V167-D169 PolarHBondContact O-N 3.13Å | ||
| 168 | E | 57.8 | Low | 80 | Confident | 160 Ų | 160 | 115.9 Ų | 115.9 | 75% | 0.748 | 59% | 0.585 | S | S | * | * | trans | -52.7 | 113.6 | 162.9 | -72.3 | -170.9 | 174.7 | 0 | 0 | 100.5 | A166 K170 | A166-E168 PolarHBondContact O-N 3.16Å; E168-K170 PolarHBondContact O-N 3.34Å | ||
| 169 | D | 49.8 | Very low | 79.7 | Confident | 134 Ų | 134 | 122.3 Ų | 122.3 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | trans | -49.9 | 95.3 | 164.3 | -76.7 | -47.4 | 0 | 0 | 0 | 104.2 | V167 S171 | V167-D169 VanDerWaalsContact C-N 3.26Å; V167-D169 PolarHBondContact O-N 3.13Å; D169-S171 PolarHBondContact O-N 3.09Å; D169-S171 PolarHBondContact O-OG 3.46Å | ||
| 170 | K | 57.3 | Low | 79.2 | Confident | 181 Ų | 181 | 131.5 Ų | 131.5 | 79% | 0.787 | 66% | 0.656 | S | S | * | * | trans | -67.3 | 39.7 | 161.9 | -65.1 | -172.3 | -176.4 | -178.8 | 0 | 108 | E168 K172 | E168-K170 PolarHBondContact O-N 3.34Å; K170-K172 PolarHBondContact O-N 3.18Å | ||
| 171 | S | 61.6 | Low | 78.8 | Confident | 83 Ų | 83 | 134.5 Ų | 134.5 | 58% | 0.58 | 67% | 0.673 | S | S | * | * | trans | -46.5 | 100.3 | 141.7 | 64.5 | 0 | 0 | 0 | 0 | 104.9 | D169 E173 | D169-S171 PolarHBondContact O-N 3.09Å; D169-S171 PolarHBondContact O-OG 3.46Å; S171-E173 PolarHBondContact O-N 3.35Å | ||
| 172 | K | 71.2 | Confident | 78.2 | Confident | 196 Ų | 196 | 136.8 Ų | 136.8 | 85% | 0.852 | 70% | 0.697 | S | S | * | * | trans | -71 | 54.4 | 167.9 | -64.9 | 177.6 | -178.3 | 177.2 | 0 | 106.8 | K170 R174 | K170-K172 PolarHBondContact O-N 3.18Å; K172-R174 PolarHBondContact O-N 3.29Å; K172-R174 VanDerWaalsContact O-N 3.15Å | ||
| 173 | E | 78.1 | Confident | 78 | Confident | 168 Ų | 168 | 137.7 Ų | 137.7 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | trans | -65.7 | 116.8 | 175.2 | -172.3 | 175.2 | -179.3 | 0 | 0 | 106.2 | S171 | S171-E173 PolarHBondContact O-N 3.35Š| ||
| 174 | R | 83.8 | Confident | 77.6 | Confident | 214 Ų | 214 | 135.2 Ų | 135.2 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | trans | -121.4 | 119.8 | 176.6 | -159.9 | -174.7 | -166.7 | -147.2 | 3.5 | 106.6 | K172 I176 | K172-R174 PolarHBondContact O-N 3.29Å; K172-R174 VanDerWaalsContact O-N 3.15Å; R174-I176 PolarHBondContact O-N 2.71Å; R174-I176 VanDerWaalsContact O-N 3.15Å | ||
| 175 | I | 86.6 | Confident | 77.3 | Confident | 146 Ų | 146 | 140.1 Ų | 140.1 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | -67.5 | 113.5 | 170.2 | -59.8 | 171.4 | 0 | 0 | 0 | 107 | ||||
| 176 | I | 88.7 | Confident | 77.3 | Confident | 142 Ų | 142 | 137.3 Ų | 137.3 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | trans | -93.3 | 123.8 | 172.6 | -56.5 | 176.1 | 0 | 0 | 0 | 107.2 | R174 I178 | R174-I176 PolarHBondContact O-N 2.71Å; R174-I176 VanDerWaalsContact O-N 3.15Å; I176-I178 PolarHBondContact O-N 3.27Å | ||
| 177 | Q | 91.6 | Very high | 77.4 | Confident | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | -65.8 | 130.8 | 176.1 | -64.7 | -65.1 | -17.6 | 0 | 0 | 110.1 | Q179 | Q177-Q179 PolarHBondContact O-N 2.8Š| ||
| 178 | I | 89.9 | Confident | 78.2 | Confident | 156 Ų | 156 | 137 Ų | 137 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | trans | -76.3 | 113.6 | 177.6 | -61 | 173.7 | 0 | 0 | 0 | 108.4 | I176 | I176-I178 PolarHBondContact O-N 3.27Š| ||
| 179 | Q | 87.6 | Confident | 79.2 | Confident | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | -85.1 | 119.7 | 168.4 | -66.8 | -177.4 | 7.7 | 0 | 0 | 108.9 | Q177 V181 | Q177-Q179 PolarHBondContact O-N 2.8Å; Q179-V181 PolarHBondContact O-N 3.34Å | ||
| 180 | Q | 86.2 | Confident | 80.4 | Confident | 193 Ų | 193 | 136.8 Ų | 136.8 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | trans | -69.4 | 115.9 | 172.1 | -70.9 | -176.7 | -0.3 | 0 | 0 | 109.1 | ||||
| 181 | V | 85.7 | Confident | 81.2 | Confident | 95 Ų | 95 | 136.1 Ų | 136.1 | 58% | 0.576 | 71% | 0.713 | S | S | * | * | trans | -113.4 | 158.9 | 171.1 | -65.5 | 0 | 0 | 0 | 0 | 109 | Q179 | Q179-V181 PolarHBondContact O-N 3.34Š| ||
| 182 | G | 85.1 | Confident | 81.9 | Confident | 49 Ų | 49 | 141 Ų | 141 | 51% | 0.505 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -63.8 | -161.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A184 | G182-A184 PolarHBondContact O-N 3.36Š|
| 183 | P | 88.2 | Confident | 81.6 | Confident | 78 Ų | 78 | 136.7 Ų | 136.7 | 51% | 0.506 | 72% | 0.721 | S | S | . | * | trans | -53.2 | 126.5 | -175.8 | -26.5 | 34.7 | 0 | 0 | 0 | 113.3 | H185 L186 | P183-H185 WeakPolarHBondContact CB-CE1 3.47Å; P183-H185 PolarHBondContact O-N 3.28Å; P183-L186 PolarHBondContact O-N 3.3Å | ||
| 184 | A | 83.2 | Confident | 80.8 | Confident | 75 Ų | 75 | 137.5 Ų | 137.5 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -53.6 | -34.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G182 L186 N187 | G182-A184 PolarHBondContact O-N 3.36Å; A184-L186 PolarHBondContact O-N 2.99Å; A184-L186 VanDerWaalsContact O-N 3.16Å; A184-N187 PolarHBondContact O-N 3.27Å; A184-N187 VanDerWaalsContact O-N 3.09Å |
| 185 | H | 81.5 | Confident | 79.6 | Confident | 148 Ų | 148 | 133.6 Ų | 133.6 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -64.1 | -18.3 | -178.7 | 67.5 | -86.6 | 0 | 0 | 0 | 114 | P183 | P183-H185 WeakPolarHBondContact CB-CE1 3.47Å; P183-H185 PolarHBondContact O-N 3.28Å |
| 186 | L | 79 | Confident | 78.1 | Confident | 124 Ų | 124 | 135.7 Ų | 135.7 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -88.3 | -17.3 | 176.9 | -58.8 | 177.6 | 0 | 0 | 0 | 112.9 | P183 A184 | P183-L186 PolarHBondContact O-N 3.3Å; A184-L186 PolarHBondContact O-N 2.99Å; A184-L186 VanDerWaalsContact O-N 3.16Å |
| 187 | N | 73.2 | Confident | 76.2 | Confident | 89 Ų | 89 | 132.5 Ų | 132.5 | 48% | 0.476 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.4 | -5.5 | -168.8 | -73.1 | 80.5 | 0 | 0 | 0 | 114.1 | A184 K189 | A184-N187 PolarHBondContact O-N 3.27Å; A184-N187 VanDerWaalsContact O-N 3.09Å; N187-K189 PolarHBondContact O-N 3.12Å |
| 188 | V | 77 | Confident | 74.3 | Confident | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | trans | -89.9 | 104.2 | 177.1 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 189 | K | 78.2 | Confident | 72.6 | Confident | 200 Ų | 200 | 136.2 Ų | 136.2 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | trans | -83.1 | 132.8 | 164.6 | -68.8 | -175.5 | 179.8 | -177.2 | 0 | 108.9 | N187 N191 | N187-K189 PolarHBondContact O-N 3.12Å; K189-N191 PolarHBondContact O-N 3.44Å | ||
| 190 | A | 74.8 | Confident | 70.8 | Confident | 91 Ų | 91 | 136.3 Ų | 136.3 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -63.6 | 133.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | E192 | A190-E192 PolarHBondContact O-N 3.17Š| ||
| 191 | N | 74.3 | Confident | 69.1 | Low | 167 Ų | 167 | 130.7 Ų | 130.7 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -79.7 | 107.4 | 172 | -128 | 6.7 | 0 | 0 | 0 | 107.2 | K189 S193 | K189-N191 PolarHBondContact O-N 3.44Å; N191-S193 PolarHBondContact O-N 3.25Å | ||
| 192 | E | 75.8 | Confident | 67.6 | Low | 186 Ų | 186 | 130.7 Ų | 130.7 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | trans | -69.3 | 118.5 | 175.3 | -70.2 | 179.1 | 174.6 | 0 | 0 | 109.3 | A190 E194 | A190-E192 PolarHBondContact O-N 3.17Å; E192-E194 PolarHBondContact O-N 2.93Å | ||
| 193 | S | 65.6 | Low | 66.2 | Low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -76.5 | 117.2 | 171.7 | 51.2 | 0 | 0 | 0 | 0 | 109.8 | N191 V195 | N191-S193 PolarHBondContact O-N 3.25Å; S193-V195 PolarHBondContact O-N 3.48Å | ||
| 194 | E | 61.1 | Low | 64.8 | Low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -57.8 | 108 | 170 | -70.5 | -177.2 | 161.6 | 0 | 0 | 110.8 | E192 K196 | E192-E194 PolarHBondContact O-N 2.93Å; E194-K196 PolarHBondContact O-N 2.71Å | ||
| 195 | V | 58.3 | Low | 63.6 | Low | 132 Ų | 132 | 137.7 Ų | 137.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -82.7 | 103.9 | 167.3 | -180 | 0 | 0 | 0 | 0 | 108 | S193 G197 | S193-V195 PolarHBondContact O-N 3.48Å; V195-G197 PolarHBondContact O-N 3.25Å | ||
| 196 | K | 54.7 | Low | 62.6 | Low | 189 Ų | 189 | 140.1 Ų | 140.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -60.3 | 113.6 | 167.5 | -79.8 | -176.1 | 174.5 | 179.6 | 0 | 109.9 | E194 | E194-K196 PolarHBondContact O-N 2.71Š| ||
| 197 | G | 48.6 | Very low | 62 | Low | 76 Ų | 76 | 142.2 Ų | 142.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -62.3 | 131.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V195 | V195-G197 PolarHBondContact O-N 3.25Š| ||
| 198 | K | 52.4 | Low | 60.9 | Low | 208 Ų | 208 | 151.2 Ų | 151.2 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | trans | -107.8 | 110 | 157.6 | -83.8 | -178.2 | 174.9 | 177.9 | 0 | 107 | ||||
| 199 | E | 53.3 | Low | 60.1 | Low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -83.9 | 125.2 | 172.5 | -167.7 | 175.5 | -163.3 | 0 | 0 | 108.4 | ||||
| 200 | N | 51.3 | Low | 59.2 | Low | 168 Ų | 168 | 150.4 Ų | 150.4 | 90% | 0.898 | 85% | 0.845 | S | S | * | * | trans | -150 | 103.8 | 161.4 | -87.6 | -28.7 | 0 | 0 | 0 | 107.8 | ||||
| 201 | G | 50 | Low | 58.3 | Low | 75 Ų | 75 | 153.7 Ų | 153.7 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | trans | -89.3 | 123.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 202 | A | 55.2 | Low | 57.4 | Low | 94 Ų | 94 | 152.9 Ų | 152.9 | 78% | 0.777 | 85% | 0.848 | S | S | * | * | trans | 48.9 | 140.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 203 | P | 54.6 | Low | 56.2 | Low | 136 Ų | 136 | 150.8 Ų | 150.8 | 88% | 0.883 | 85% | 0.847 | S | S | * | * | trans | -119.5 | 127.7 | 131.2 | 33.8 | -22.4 | 0 | 0 | 0 | 110.3 | ||||
| 204 | N | 58.5 | Low | 55.6 | Low | 149 Ų | 149 | 153.9 Ų | 153.9 | 80% | 0.797 | 85% | 0.854 | S | S | * | * | trans | -95.4 | 118.1 | 172.4 | -164.4 | 20.4 | 0 | 0 | 0 | 109.1 | ||||
| 205 | G | 57.4 | Low | 55.2 | Low | 65 Ų | 65 | 151.6 Ų | 151.6 | 67% | 0.67 | 85% | 0.854 | S | S | * | * | trans | -82.4 | 144.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 206 | K | 62.3 | Low | 54.9 | Low | 198 Ų | 198 | 153.2 Ų | 153.2 | 86% | 0.861 | 86% | 0.858 | S | S | * | * | trans | -129.3 | 116.8 | 162.5 | -104.9 | -176.9 | 177.8 | 178.5 | 0 | 108.3 | ||||
| 207 | D | 66.3 | Low | 55 | Low | 168 Ų | 168 | 150.2 Ų | 150.2 | 90% | 0.898 | 86% | 0.861 | S | S | * | * | trans | -64.7 | 127.6 | 165 | -61 | -59.5 | 0 | 0 | 0 | 110.7 | ||||
| 208 | K | 49.6 | Very low | 55.5 | Low | 278 Ų | 278 | 156.9 Ų | 156.9 | 100% | 1.209 | 87% | 0.868 | S | S | * | * | -168.4 | 0 | 128.1 | -144.4 | 179.3 | -177.5 | -175.2 | 0 | 111 |
Retrieved 208 of 208 residues in 75 ms
(Link to these results)