| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.8 | Very low | 59.6 | Low | 230 Ų | 230 | 111.4 Ų | 111.4 | 100% | 1.133 | 64% | 0.638 | S | S | * | * | 0 | 82.7 | 0 | -85.3 | 173.7 | 152.3 | 0 | 0 | 109.5 | S3 | M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.89Å; M1-S3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | L | 57.8 | Low | 59.9 | Low | 165 Ų | 165 | 109.3 Ų | 109.3 | 86% | 0.864 | 63% | 0.628 | S | S | * | * | trans | -77.3 | 89.4 | 161.7 | -98 | 68.3 | 0 | 0 | 0 | 105.9 | K4 | L2-K4 PolarHBondContact O-N 3.15Š| ||
| 3 | S | 52.1 | Low | 59.8 | Low | 71 Ų | 71 | 117.2 Ų | 117.2 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | trans | -53 | 131.5 | -176.1 | -77.4 | 0 | 0 | 0 | 0 | 109.9 | M1 T5 G6 | M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 2.89Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-T5 WeakPolarHBondContact CB-OG1 3.43Å; S3-T5 PolarHBondContact O-N 2.8Å; S3-G6 PolarHBondContact O-N 3.05Å | ||
| 4 | K | 59.6 | Low | 59.6 | Low | 176 Ų | 176 | 123.9 Ų | 123.9 | 77% | 0.765 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -49.3 | -26.9 | 179.8 | -67.8 | -173.4 | 174.3 | -157.3 | 0 | 112.6 | L2 L7 I8 | L2-K4 PolarHBondContact O-N 3.15Å; K4-L7 PolarHBondContact O-N 3.42Å; K4-I8 WeakPolarHBondContact O-CD1 3.3Å; K4-I8 VanDerWaalsContact O-CG1 3.23Å; K4-I8 WeakPolarHBondContact O-CG1 3.2Å; K4-I8 PolarHBondContact O-N 3.3Å |
| 5 | T | 65.9 | Low | 59.4 | Low | 106 Ų | 106 | 120.7 Ų | 120.7 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -59.8 | -40.8 | 172.2 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | S3 I8 G9 | S3-T5 WeakPolarHBondContact CB-OG1 3.43Å; S3-T5 PolarHBondContact O-N 2.8Å; T5-I8 PolarHBondContact O-N 3.43Å; T5-G9 PolarHBondContact O-N 3.15Å |
| 6 | G | 61 | Low | 59.3 | Low | 48 Ų | 48 | 123.5 Ų | 123.5 | 50% | 0.495 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -68.3 | -37 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S3 G9 A10 | S3-G6 PolarHBondContact O-N 3.05Å; G6-G9 PolarHBondContact O-N 2.63Å; G6-A10 WeakPolarHBondContact O-CB 3.37Å; G6-A10 PolarHBondContact O-N 3.46Å |
| 7 | L | 63.5 | Low | 59.1 | Low | 106 Ų | 106 | 119.4 Ų | 119.4 | 56% | 0.555 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.3 | -40.4 | 174.3 | -113.7 | 169.1 | 0 | 0 | 0 | 111.6 | K4 A10 L11 | K4-L7 PolarHBondContact O-N 3.42Å; L7-A10 PolarHBondContact O-N 3.26Å; L7-L11 WeakPolarHBondContact O-CB 3.26Å; L7-L11 PolarHBondContact O-N 2.95Å |
| 8 | I | 64 | Low | 58.9 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 54% | 0.544 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.4 | -45.1 | 173.6 | -65 | 160.8 | 0 | 0 | 0 | 110.1 | K4 T5 A10 L11 V12 | K4-I8 WeakPolarHBondContact O-CD1 3.3Å; K4-I8 VanDerWaalsContact O-CG1 3.23Å; K4-I8 WeakPolarHBondContact O-CG1 3.2Å; K4-I8 PolarHBondContact O-N 3.3Å; T5-I8 PolarHBondContact O-N 3.43Å; I8-A10 PolarHBondContact O-N 3.47Å; I8-L11 PolarHBondContact O-N 3.39Å; I8-V12 HydrophobicContact CG2-CG2 4.24Å; I8-V12 WeakPolarHBondContact O-CB 3.22Å; I8-V12 VanDerWaalsContact O-CG2 3.23Å; I8-V12 WeakPolarHBondContact O-CG2 3.27Å; I8-V12 PolarHBondContact O-N 3.25Å |
| 9 | G | 60.7 | Low | 58.7 | Low | 40 Ų | 40 | 114.7 Ų | 114.7 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.2 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T5 G6 R13 | T5-G9 PolarHBondContact O-N 3.15Å; G6-G9 PolarHBondContact O-N 2.63Å; G9-R13 WeakPolarHBondContact O-CB 3.26Å; G9-R13 PolarHBondContact O-N 2.98Å |
| 10 | A | 62.1 | Low | 58.5 | Low | 59 Ų | 59 | 116.3 Ų | 116.3 | 49% | 0.488 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.7 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G6 L7 I8 R13 R14 | G6-A10 WeakPolarHBondContact O-CB 3.37Å; G6-A10 PolarHBondContact O-N 3.46Å; L7-A10 PolarHBondContact O-N 3.26Å; I8-A10 PolarHBondContact O-N 3.47Å; A10-R13 PolarHBondContact O-N 2.98Å; A10-R14 WeakPolarHBondContact O-CB 3.47Å; A10-R14 PolarHBondContact O-N 3.16Å |
| 11 | L | 60.5 | Low | 58.1 | Low | 118 Ų | 118 | 117.8 Ų | 117.8 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.8 | -41.3 | 175.2 | -108.7 | 149.8 | 0 | 0 | 0 | 112.2 | L7 I8 R14 S15 | L7-L11 WeakPolarHBondContact O-CB 3.26Å; L7-L11 PolarHBondContact O-N 2.95Å; I8-L11 PolarHBondContact O-N 3.39Å; L11-R14 PolarHBondContact O-N 3.35Å; L11-S15 PolarHBondContact O-N 3.3Å; L11-S15 VanDerWaalsContact O-N 3.16Å; L11-S15 PolarHBondContact O-OG 3.21Å |
| 12 | V | 62.3 | Low | 58.2 | Low | 86 Ų | 86 | 112 Ų | 112 | 52% | 0.521 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67 | -40.3 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110.8 | I8 S15 | I8-V12 HydrophobicContact CG2-CG2 4.24Å; I8-V12 WeakPolarHBondContact O-CB 3.22Å; I8-V12 VanDerWaalsContact O-CG2 3.23Å; I8-V12 WeakPolarHBondContact O-CG2 3.27Å; I8-V12 PolarHBondContact O-N 3.25Å; V12-S15 WeakPolarHBondContact CA-OG 3.19Å; V12-S15 PolarHBondContact O-N 3.23Å; V12-S15 PolarHBondContact O-OG 3.42Å; V12-S15 VanDerWaalsContact O-OG 3.05Å |
| 13 | R | 58.6 | Low | 58 | Low | 212 Ų | 212 | 112.2 Ų | 112.2 | 80% | 0.8 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.2 | -36.4 | 177.7 | -168.1 | 168.6 | -175.9 | -172.5 | -0 | 112.3 | G9 A10 S15 F16 | G9-R13 WeakPolarHBondContact O-CB 3.26Å; G9-R13 PolarHBondContact O-N 2.98Å; A10-R13 PolarHBondContact O-N 2.98Å; R13-S15 VanDerWaalsContact C-N 3.3Å; R13-S15 PolarHBondContact O-N 3.05Å; R13-F16 PolarHBondContact O-N 3.17Å |
| 14 | R | 57.9 | Low | 58.2 | Low | 212 Ų | 212 | 113.3 Ų | 113.3 | 80% | 0.8 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.4 | -27.3 | 178 | -161.1 | 167.9 | -172.7 | 178.1 | 1.1 | 112.5 | A10 L11 | A10-R14 WeakPolarHBondContact O-CB 3.47Å; A10-R14 PolarHBondContact O-N 3.16Å; L11-R14 PolarHBondContact O-N 3.35Å |
| 15 | S | 56.3 | Low | 57.9 | Low | 76 Ų | 76 | 110.1 Ų | 110.1 | 53% | 0.531 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -79 | -17.3 | 178.5 | 32.1 | 0 | 0 | 0 | 0 | 114.1 | L11 V12 R13 | L11-S15 PolarHBondContact O-N 3.3Å; L11-S15 VanDerWaalsContact O-N 3.16Å; L11-S15 PolarHBondContact O-OG 3.21Å; V12-S15 WeakPolarHBondContact CA-OG 3.19Å; V12-S15 PolarHBondContact O-N 3.23Å; V12-S15 PolarHBondContact O-OG 3.42Å; V12-S15 VanDerWaalsContact O-OG 3.05Å; R13-S15 VanDerWaalsContact C-N 3.3Å; R13-S15 PolarHBondContact O-N 3.05Å |
| 16 | F | 57.6 | Low | 57.4 | Low | 165 Ų | 165 | 109.6 Ų | 109.6 | 72% | 0.724 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -87 | -15.6 | 174.7 | -107.3 | -96.8 | 0 | 0 | 0 | 114.8 | R13 S19 | R13-F16 PolarHBondContact O-N 3.17Å; F16-S19 PolarHBondContact O-OG 3.46Å |
| 17 | G | 55.5 | Low | 57.1 | Low | 53 Ų | 53 | 111.8 Ų | 111.8 | 55% | 0.546 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.9 | -29 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S19 | G17-S19 PolarHBondContact O-N 3.2Å |
| 18 | T | 55.5 | Low | 56.7 | Low | 100 Ų | 100 | 111.3 Ų | 111.3 | 61% | 0.613 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -7.9 | -177.3 | -26.8 | 0 | 0 | 0 | 0 | 113.1 | Q20 | T18-Q20 PolarHBondContact O-N 3.24Š|
| 19 | S | 55.8 | Low | 56.4 | Low | 50 Ų | 50 | 110.2 Ų | 110.2 | 35% | 0.35 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -77.9 | -15.8 | -177.2 | -47.2 | 0 | 0 | 0 | 0 | 114.1 | F16 G17 R23 | F16-S19 PolarHBondContact O-OG 3.46Å; G17-S19 PolarHBondContact O-N 3.2Å; S19-R23 WeakPolarHBondContact O-CB 3.09Å; S19-R23 WeakPolarHBondContact O-CD 3.49Å; S19-R23 WeakPolarHBondContact O-CG 3.44Å; S19-R23 PolarHBondContact O-N 2.86Å |
| 20 | Q | 53.8 | Low | 56.1 | Low | 147 Ų | 147 | 114 Ų | 114 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -80.3 | -48.9 | -175 | -64.3 | -94.3 | -50 | 0 | 0 | 111.6 | T18 R23 E24 | T18-Q20 PolarHBondContact O-N 3.24Å; Q20-R23 WeakPolarHBondContact O-CB 3.46Å; Q20-R23 PolarHBondContact O-N 3.25Å; Q20-E24 PolarHBondContact O-N 3.15Å; Q20-E24 VanDerWaalsContact O-N 3.16Å |
| 21 | M | 51 | Low | 56 | Low | 148 Ų | 148 | 111.2 Ų | 111.2 | 73% | 0.729 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.1 | -38.6 | 179.2 | -72.9 | -70.8 | -79.4 | 0 | 0 | 112.6 | R23 E24 T25 | M21-R23 PolarHBondContact O-N 2.92Å; M21-E24 PolarHBondContact O-N 3.37Å; M21-T25 PolarHBondContact O-N 2.87Å; M21-T25 PolarHBondContact O-OG1 3.27Å |
| 22 | L | 51.1 | Low | 56.1 | Low | 109 Ų | 109 | 110.2 Ų | 110.2 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.9 | -34.3 | 173 | -109 | 167.1 | 0 | 0 | 0 | 111.4 | I26 | L22-I26 HydrophobicContact CD2-CD1 4.47Å; L22-I26 WeakPolarHBondContact O-CB 3.47Å; L22-I26 VanDerWaalsContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.34Å |
| 23 | R | 54.1 | Low | 56.3 | Low | 168 Ų | 168 | 111.7 Ų | 111.7 | 63% | 0.634 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66 | -41.5 | 173.5 | -82.4 | -178.8 | -177.2 | -71.6 | -0.1 | 112.3 | S19 Q20 M21 I26 K27 | S19-R23 WeakPolarHBondContact O-CB 3.09Å; S19-R23 WeakPolarHBondContact O-CD 3.49Å; S19-R23 WeakPolarHBondContact O-CG 3.44Å; S19-R23 PolarHBondContact O-N 2.86Å; Q20-R23 WeakPolarHBondContact O-CB 3.46Å; Q20-R23 PolarHBondContact O-N 3.25Å; M21-R23 PolarHBondContact O-N 2.92Å; R23-I26 CarbonylContact O-C 3.57Å; R23-I26 PolarHBondContact O-N 3.43Å; R23-K27 WeakPolarHBondContact O-CG 3.46Å; R23-K27 PolarHBondContact O-N 2.82Å |
| 24 | E | 54.9 | Low | 56.3 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 44% | 0.444 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 175.4 | -70.9 | -69.1 | 139.9 | 0 | 0 | 112.3 | Q20 M21 I26 K27 | Q20-E24 PolarHBondContact O-N 3.15Å; Q20-E24 VanDerWaalsContact O-N 3.16Å; M21-E24 PolarHBondContact O-N 3.37Å; E24-I26 VanDerWaalsContact C-N 3.27Å; E24-I26 PolarHBondContact O-N 3.12Å; E24-K27 VanDerWaalsContact O-CB 3.26Å; E24-K27 WeakPolarHBondContact O-CB 3.19Å; E24-K27 PolarHBondContact O-N 3.32Å; E24-K27 VanDerWaalsContact OE1-CE 3.3Å; E24-K27 WeakPolarHBondContact OE1-CE 3.29Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 3.22Å; E24-K27 IonicContact OE2-NZ 3.87Å |
| 25 | T | 53.8 | Low | 56.6 | Low | 108 Ų | 108 | 99.9 Ų | 99.9 | 66% | 0.663 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.5 | -32.5 | 175.6 | -48.3 | 0 | 0 | 0 | 0 | 111.5 | M21 K27 | M21-T25 PolarHBondContact O-N 2.87Å; M21-T25 PolarHBondContact O-OG1 3.27Å; T25-K27 VanDerWaalsContact C-N 3.29Å; T25-K27 PolarHBondContact O-N 3.03Å |
| 26 | I | 54.5 | Low | 57.1 | Low | 96 Ų | 96 | 98.6 Ų | 98.6 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -25.4 | 171 | -67.8 | 164.3 | 0 | 0 | 0 | 111.4 | L22 R23 E24 N28 Q57 | L22-I26 HydrophobicContact CD2-CD1 4.47Å; L22-I26 WeakPolarHBondContact O-CB 3.47Å; L22-I26 VanDerWaalsContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CD1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 3.34Å; R23-I26 CarbonylContact O-C 3.57Å; R23-I26 PolarHBondContact O-N 3.43Å; E24-I26 VanDerWaalsContact C-N 3.27Å; E24-I26 PolarHBondContact O-N 3.12Å; I26-N28 PolarHBondContact O-N 3.1Å; I26-Q57 WeakPolarHBondContact O-CG 3.36Å; I26-Q57 PolarHBondContact O-NE2 3.31Å |
| 27 | K | 55.5 | Low | 57.5 | Low | 93 Ų | 93 | 98.4 Ų | 98.4 | 40% | 0.404 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -26.6 | -179.3 | -75.8 | 178 | -175.8 | -176.6 | 0 | 113.9 | R23 E24 T25 Q57 | R23-K27 WeakPolarHBondContact O-CG 3.46Å; R23-K27 PolarHBondContact O-N 2.82Å; E24-K27 VanDerWaalsContact O-CB 3.26Å; E24-K27 WeakPolarHBondContact O-CB 3.19Å; E24-K27 PolarHBondContact O-N 3.32Å; E24-K27 VanDerWaalsContact OE1-CE 3.3Å; E24-K27 WeakPolarHBondContact OE1-CE 3.29Å; E24-K27 IonicContact OE1-NZ 2.63Å; E24-K27 PolarHBondContact OE1-NZ 3.22Å; E24-K27 IonicContact OE2-NZ 3.87Å; T25-K27 VanDerWaalsContact C-N 3.29Å; T25-K27 PolarHBondContact O-N 3.03Å; K27-Q57 WeakPolarHBondContact O-CG 3.43Å; K27-Q57 PolarHBondContact O-N 2.91Å; K27-Q57 VanDerWaalsContact O-N 3.08Å |
| 28 | N | 54.7 | Low | 57.8 | Low | 96 Ų | 96 | 98 Ų | 98 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 68.9 | 178.8 | -63.7 | -58.2 | 0 | 0 | 0 | 109.8 | I26 E30 | I26-N28 PolarHBondContact O-N 3.1Å; N28-E30 PolarHBondContact O-N 2.81Å |
| 29 | H | 57.2 | Low | 58.3 | Low | 84 Ų | 84 | 93.2 Ų | 93.2 | 39% | 0.389 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 120.2 | 170.9 | -171 | 57.5 | 0 | 0 | 0 | 108.7 | P31 E35 | H29-P31 VanDerWaalsContact O-CD 3.26Å; H29-P31 WeakPolarHBondContact O-CD 3.48Å; H29-E35 IonicContact CD2-OE1 3.97Å; H29-E35 IonicContact CD2-OE2 3.81Å; H29-E35 PolarHBondContact CD2-OE2 2.92Å; H29-E35 VanDerWaalsContact CD2-OE2 3.27Å; H29-E35 IonicContact NE2-OE1 2.54Å; H29-E35 IonicContact NE2-OE2 3.81Å |
| 30 | E | 56.1 | Low | 58.9 | Low | 118 Ų | 118 | 92.8 Ų | 92.8 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | trans | -65 | 113.3 | 167.6 | -175.1 | -177.5 | 171.3 | 0 | 0 | 107.7 | N28 N32 | N28-E30 PolarHBondContact O-N 2.81Å; E30-N32 PolarHBondContact O-N 3.08Å | ||
| 31 | P | 59.3 | Low | 59.4 | Low | 2 Ų | 2 | 92.1 Ų | 92.1 | 1% | 0.013 | 44% | 0.438 | C | S | . | . | trans | -67.6 | 122.7 | -174.8 | 26.7 | -30.5 | 0 | 0 | 0 | 109.9 | H29 E35 R36 L39 N53 V55 M60 | H29-P31 VanDerWaalsContact O-CD 3.26Å; H29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-E35 WeakPolarHBondContact CA-OE2 3.4Å; P31-E35 HydrophobicContact CB-CB 3.74Å; P31-E35 WeakPolarHBondContact CB-OE2 3.43Å; P31-R36 HydrophobicContact CB-CG 4.44Å; P31-R36 HydrophobicContact CG-CG 4.38Å; P31-R36 PolarHBondContact O-NE 3.49Å; P31-L39 HydrophobicContact CB-CD1 4.22Å; P31-L39 HydrophobicContact CG-CD1 4.44Å; P31-N53 WeakPolarHBondContact CD-O 3.32Å; P31-V55 HydrophobicContact CG-CB 4.19Å; P31-V55 HydrophobicContact CG-CG2 3.88Å; P31-M60 HydrophobicContact CB-CE 3.89Å | ||
| 32 | N | 62.7 | Low | 60 | Low | 97 Ų | 97 | 85.2 Ų | 85.2 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | trans | -57.1 | 160.9 | 174.2 | -163.5 | -62 | 0 | 0 | 0 | 110.2 | E30 L34 E35 R36 | E30-N32 PolarHBondContact O-N 3.08Å; N32-L34 PolarHBondContact O-N 3.44Å; N32-E35 HydrophobicContact CB-CG 4.43Å; N32-E35 WeakPolarHBondContact O-CA 3.37Å; N32-E35 WeakPolarHBondContact O-CB 3.45Å; N32-E35 PolarHBondContact O-N 3.15Å; N32-R36 PolarHBondContact O-N 3.11Å | ||
| 33 | N | 65.8 | Low | 60.7 | Low | 116 Ų | 116 | 82.7 Ų | 82.7 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -49.7 | -34.5 | 176.4 | -68.1 | -61.5 | 0 | 0 | 0 | 113 | R37 | N33-R37 PolarHBondContact O-N 3.28Å; N33-R37 VanDerWaalsContact O-N 3.11Å |
| 34 | L | 59.6 | Low | 61.1 | Low | 138 Ų | 138 | 79.3 Ų | 79.3 | 72% | 0.723 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.2 | -40.2 | 175.7 | -61.3 | -177.5 | 0 | 0 | 0 | 112.9 | N32 R37 M38 | N32-L34 PolarHBondContact O-N 3.44Å; L34-R37 WeakPolarHBondContact O-CB 3.41Å; L34-R37 PolarHBondContact O-N 2.92Å; L34-M38 WeakPolarHBondContact O-CB 3.2Å; L34-M38 PolarHBondContact O-N 2.76Å |
| 35 | E | 64 | Low | 61.4 | Low | 38 Ų | 38 | 77.4 Ų | 77.4 | 18% | 0.178 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.6 | -35.1 | 177.6 | -60.8 | -167.5 | 155.3 | 0 | 0 | 111.3 | H29 P31 N32 R37 M38 L39 M60 | H29-E35 IonicContact CD2-OE1 3.97Å; H29-E35 IonicContact CD2-OE2 3.81Å; H29-E35 PolarHBondContact CD2-OE2 2.92Å; H29-E35 VanDerWaalsContact CD2-OE2 3.27Å; H29-E35 IonicContact NE2-OE1 2.54Å; H29-E35 IonicContact NE2-OE2 3.81Å; P31-E35 WeakPolarHBondContact CA-OE2 3.4Å; P31-E35 HydrophobicContact CB-CB 3.74Å; P31-E35 WeakPolarHBondContact CB-OE2 3.43Å; N32-E35 HydrophobicContact CB-CG 4.43Å; N32-E35 WeakPolarHBondContact O-CA 3.37Å; N32-E35 WeakPolarHBondContact O-CB 3.45Å; N32-E35 PolarHBondContact O-N 3.15Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.27Å; E35-M38 CarbonylContact O-C 3.58Å; E35-M38 WeakPolarHBondContact O-CB 3.44Å; E35-M38 PolarHBondContact O-N 3.35Å; E35-M38 VanDerWaalsContact O-N 3.15Å; E35-L39 WeakPolarHBondContact O-CB 3.5Å; E35-L39 WeakPolarHBondContact O-CD1 3.48Å; E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.48Å; E35-M60 HydrophobicContact CB-CE 3.85Å; E35-M60 HydrophobicContact CB-SD 4.33Å; E35-M60 HydrophobicContact CG-CE 4.37Å; E35-M60 VanDerWaalsContact OE2-CE 3.29Å; E35-M60 WeakPolarHBondContact OE2-CE 3.3Å |
| 36 | R | 65.8 | Low | 61.6 | Low | 49 Ų | 49 | 81.6 Ų | 81.6 | 19% | 0.185 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 169.2 | -72.1 | -173.4 | -170.2 | -155.9 | -1.8 | 111.3 | P31 N32 M38 L39 V40 I51 N53 | P31-R36 HydrophobicContact CB-CG 4.44Å; P31-R36 HydrophobicContact CG-CG 4.38Å; P31-R36 PolarHBondContact O-NE 3.49Å; N32-R36 PolarHBondContact O-N 3.11Å; R36-M38 VanDerWaalsContact C-N 3.32Å; R36-M38 PolarHBondContact O-N 3.5Å; R36-L39 PolarHBondContact O-N 3.47Å; R36-V40 WeakPolarHBondContact O-CG2 3.29Å; R36-V40 PolarHBondContact O-N 2.87Å; R36-V40 VanDerWaalsContact O-N 3.12Å; R36-I51 HydrophobicContact CB-CD1 3.47Å; R36-I51 VanDerWaalsContact CB-CD1 3.47Å; R36-I51 HydrophobicContact CG-CD1 3.83Å; R36-I51 HydrophobicContact CG-CG2 4.27Å; R36-I51 WeakPolarHBondContact O-CD1 3.34Å; R36-N53 PolarHBondContact NH2-OD1 3.12Å |
| 37 | R | 66.6 | Low | 61.6 | Low | 162 Ų | 162 | 79.5 Ų | 79.5 | 61% | 0.611 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.2 | -41.1 | 174 | -160.1 | 97.6 | 97.5 | -175.4 | 9.3 | 111.7 | N33 L34 E35 V40 W41 | N33-R37 PolarHBondContact O-N 3.28Å; N33-R37 VanDerWaalsContact O-N 3.11Å; L34-R37 WeakPolarHBondContact O-CB 3.41Å; L34-R37 PolarHBondContact O-N 2.92Å; E35-R37 VanDerWaalsContact C-N 3.34Å; E35-R37 PolarHBondContact O-N 3.27Å; R37-V40 PolarHBondContact O-N 3.02Å; R37-W41 WeakPolarHBondContact O-CB 3.03Å; R37-W41 PolarHBondContact O-N 3.16Å |
| 38 | M | 62.2 | Low | 61.7 | Low | 43 Ų | 43 | 79.5 Ų | 79.5 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 177.5 | -174.9 | -178.5 | -177.4 | 0 | 0 | 112.8 | L34 E35 R36 W41 T42 R64 M67 | L34-M38 WeakPolarHBondContact O-CB 3.2Å; L34-M38 PolarHBondContact O-N 2.76Å; E35-M38 CarbonylContact O-C 3.58Å; E35-M38 WeakPolarHBondContact O-CB 3.44Å; E35-M38 PolarHBondContact O-N 3.35Å; E35-M38 VanDerWaalsContact O-N 3.15Å; R36-M38 VanDerWaalsContact C-N 3.32Å; R36-M38 PolarHBondContact O-N 3.5Å; M38-W41 PolarHBondContact O-N 3.46Å; M38-T42 WeakPolarHBondContact O-CB 3.34Å; M38-T42 PolarHBondContact O-N 2.95Å; M38-T42 PolarHBondContact O-OG1 3.44Å; M38-R64 VanDerWaalsContact CE-CA 3.42Å; M38-R64 HydrophobicContact CE-CB 3.99Å; M38-R64 HydrophobicContact CE-CG 3.55Å; M38-R64 HydrophobicContact SD-CG 4.13Å; M38-M67 HydrophobicContact CB-CE 4.31Å; M38-M67 HydrophobicContact CE-CB 3.62Å; M38-M67 HydrophobicContact CE-CE 4.09Å; M38-M67 HydrophobicContact CE-CG 3.93Å; M38-M67 HydrophobicContact CG-CE 3.42Å; M38-M67 VanDerWaalsContact CG-CE 3.42Å; M38-M67 WeakPolarHBondContact O-CE 3.46Å |
| 39 | L | 66.5 | Low | 61.9 | Low | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.1 | -79.3 | 158.4 | 0 | 0 | 0 | 112 | P31 E35 R36 K44 Y45 I51 V55 V59 M60 C63 | P31-L39 HydrophobicContact CB-CD1 4.22Å; P31-L39 HydrophobicContact CG-CD1 4.44Å; E35-L39 WeakPolarHBondContact O-CB 3.5Å; E35-L39 WeakPolarHBondContact O-CD1 3.48Å; E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.48Å; R36-L39 PolarHBondContact O-N 3.47Å; L39-K44 PolarHBondContact O-N 3.09Å; L39-Y45 HydrophobicContact CB-CD2 4.16Å; L39-Y45 HydrophobicContact CD2-CD2 4.32Å; L39-Y45 HydrophobicContact CD2-CE2 4.13Å; L39-I51 HydrophobicContact CB-CD1 4.44Å; L39-I51 HydrophobicContact CD1-CG2 3.92Å; L39-V55 HydrophobicContact CD1-CG1 4.46Å; L39-V55 HydrophobicContact CD1-CG2 3.94Å; L39-V55 HydrophobicContact CD2-CG1 4.31Å; L39-V59 HydrophobicContact CD2-CG1 4.42Å; L39-M60 HydrophobicContact CD1-CE 3.93Å; L39-M60 HydrophobicContact CG-CE 4.36Å; L39-C63 HydrophobicContact CD2-CB 4.17Å |
| 40 | V | 67.6 | Low | 62 | Low | 41 Ų | 41 | 81.7 Ų | 81.7 | 25% | 0.248 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 173 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | R36 R37 T42 G43 Q48 I51 | R36-V40 WeakPolarHBondContact O-CG2 3.29Å; R36-V40 PolarHBondContact O-N 2.87Å; R36-V40 VanDerWaalsContact O-N 3.12Å; R37-V40 PolarHBondContact O-N 3.02Å; V40-T42 VanDerWaalsContact C-N 3.29Å; V40-T42 PolarHBondContact O-N 3.4Å; V40-G43 WeakPolarHBondContact O-CA 3.38Å; V40-G43 PolarHBondContact O-N 3.48Å; V40-Q48 HydrophobicContact CG2-CG 4.24Å; V40-I51 HydrophobicContact CG2-CD1 3.78Å; V40-I51 HydrophobicContact CG2-CG1 4.33Å |
| 41 | W | 63.8 | Low | 62.2 | Low | 134 Ų | 134 | 76.5 Ų | 76.5 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.9 | -30.8 | -178.5 | -170.5 | 46.8 | 0 | 0 | 0 | 112.9 | R37 M38 G43 M67 R70 L71 | R37-W41 WeakPolarHBondContact O-CB 3.03Å; R37-W41 PolarHBondContact O-N 3.16Å; M38-W41 PolarHBondContact O-N 3.46Å; W41-G43 PolarHBondContact O-N 3.09Å; W41-M67 HydrophobicContact CB-CE 4.03Å; W41-M67 HydrophobicContact CD2-CE 3.73Å; W41-M67 HydrophobicContact CD2-SD 3.72Å; W41-M67 HydrophobicContact CE3-CE 3.04Å; W41-M67 HydrophobicContact CE3-CG 4.21Å; W41-M67 HydrophobicContact CE3-SD 3.05Å; W41-M67 HydrophobicContact CG-CE 4.2Å; W41-M67 HydrophobicContact CH2-SD 3.67Å; W41-M67 HydrophobicContact CZ2-SD 4.33Å; W41-M67 HydrophobicContact CZ3-CE 3.63Å; W41-M67 HydrophobicContact CZ3-CG 3.79Å; W41-M67 HydrophobicContact CZ3-SD 3Å; W41-M67 WeakPolarHBondContact CZ3-SD 3.48Å; W41-R70 PolarHBondContact O-NH1 3.4Å; W41-L71 HydrophobicContact CH2-CD1 4.5Å; W41-L71 HydrophobicContact CH2-CD2 3.86Å; W41-L71 HydrophobicContact CH2-CG 3.94Å; W41-L71 HydrophobicContact CZ3-CD1 4.49Å; W41-L71 HydrophobicContact CZ3-CD2 4.47Å; W41-L71 HydrophobicContact CZ3-CG 4.41Å |
| 42 | T | 65.3 | Low | 62.3 | Low | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.012 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -5.8 | 172.3 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | M38 V40 K44 C63 K66 M67 R70 | M38-T42 WeakPolarHBondContact O-CB 3.34Å; M38-T42 PolarHBondContact O-N 2.95Å; M38-T42 PolarHBondContact O-OG1 3.44Å; V40-T42 VanDerWaalsContact C-N 3.29Å; V40-T42 PolarHBondContact O-N 3.4Å; T42-K44 VanDerWaalsContact C-N 3.28Å; T42-K44 PolarHBondContact O-N 2.85Å; T42-C63 VanDerWaalsContact CB-SG 3.51Å; T42-C63 PolarHBondContact OG1-SG 2.79Å; T42-K66 HydrophobicContact CG2-CB 3.45Å; T42-K66 VanDerWaalsContact CG2-CB 3.45Å; T42-K66 HydrophobicContact CG2-CD 3.97Å; T42-K66 HydrophobicContact CG2-CG 4.36Å; T42-M67 WeakPolarHBondContact OG1-CE 3.4Å; T42-R70 PolarHBondContact O-NH1 3.37Å; T42-R70 VanDerWaalsContact O-NH1 3.09Å; T42-R70 PolarHBondContact O-NH2 2.97Å; T42-R70 VanDerWaalsContact O-NH2 3.09Å |
| 43 | G | 64.2 | Low | 62.1 | Low | 56 Ų | 56 | 78.7 Ų | 78.7 | 58% | 0.577 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 22.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | V40 W41 | V40-G43 WeakPolarHBondContact O-CA 3.38Å; V40-G43 PolarHBondContact O-N 3.48Å; W41-G43 PolarHBondContact O-N 3.09Å |
| 44 | K | 63.4 | Low | 61.6 | Low | 97 Ų | 97 | 79.8 Ų | 79.8 | 42% | 0.422 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -79.4 | -32.3 | 173.5 | -92.1 | -82.5 | 178.2 | 169.8 | 0 | 111.7 | L39 T42 | L39-K44 PolarHBondContact O-N 3.09Å; T42-K44 VanDerWaalsContact C-N 3.28Å; T42-K44 PolarHBondContact O-N 2.85Å |
| 45 | Y | 61 | Low | 61.7 | Low | 56 Ų | 56 | 73.4 Ų | 73.4 | 22% | 0.22 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -130.4 | 146.3 | 175.6 | -63.2 | -77.7 | 0 | 0 | 0 | 109.9 | L39 E50 I51 P52 | L39-Y45 HydrophobicContact CB-CD2 4.16Å; L39-Y45 HydrophobicContact CD2-CD2 4.32Å; L39-Y45 HydrophobicContact CD2-CE2 4.13Å; Y45-E50 HydrophobicContact CD1-CG 4.47Å; Y45-I51 HydrophobicContact CD2-CG1 4.26Å; Y45-I51 HydrophobicContact CD2-CG2 4.49Å; Y45-I51 HydrophobicContact CG-CG1 4.21Å; Y45-P52 HydrophobicContact CE1-CG 4.46Å |
| 46 | K | 57.7 | Low | 61.6 | Low | 195 Ų | 195 | 74.1 Ų | 74.1 | 85% | 0.848 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -81.5 | -28 | -173.4 | -165.6 | 172.1 | -177.4 | -177.5 | 0 | 112.9 | E50 | K46-E50 PolarHBondContact N-OE2 3.03Š|
| 47 | S | 54.4 | Low | 61.6 | Low | 52 Ų | 52 | 73.9 Ų | 73.9 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -142.2 | 154.6 | -178.6 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | S49 E50 | S47-S49 WeakPolarHBondContact CB-OG 3.46Å; S47-S49 PolarHBondContact O-N 3.41Å; S47-S49 VanDerWaalsContact O-N 3.15Å; S47-S49 PolarHBondContact OG-N 3.19Å; S47-S49 PolarHBondContact OG-OG 2.88Å; S47-E50 PolarHBondContact O-N 3.47Å; S47-E50 VanDerWaalsContact O-N 3.15Å |
| 48 | Q | 58 | Low | 61.8 | Low | 93 Ų | 93 | 70.7 Ų | 70.7 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -55.9 | -26.5 | 171 | -68.5 | 179.3 | 95.3 | 0 | 0 | 112.4 | V40 | V40-Q48 HydrophobicContact CG2-CG 4.24Š|
| 49 | S | 58.1 | Low | 62.3 | Low | 109 Ų | 109 | 70.6 Ų | 70.6 | 76% | 0.762 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -78.1 | -20.4 | -179.1 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | S47 I51 | S47-S49 WeakPolarHBondContact CB-OG 3.46Å; S47-S49 PolarHBondContact O-N 3.41Å; S47-S49 VanDerWaalsContact O-N 3.15Å; S47-S49 PolarHBondContact OG-N 3.19Å; S47-S49 PolarHBondContact OG-OG 2.88Å; S49-I51 VanDerWaalsContact C-N 3.35Å |
| 50 | E | 60.4 | Low | 62.5 | Low | 118 Ų | 118 | 70.9 Ų | 70.9 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -90.4 | -4.5 | -179.3 | -159.9 | -173.1 | 171.8 | 0 | 0 | 112.1 | Y45 K46 S47 P52 | Y45-E50 HydrophobicContact CD1-CG 4.47Å; K46-E50 PolarHBondContact N-OE2 3.03Å; S47-E50 PolarHBondContact O-N 3.47Å; S47-E50 VanDerWaalsContact O-N 3.15Å; E50-P52 VanDerWaalsContact O-CD 3.27Å; E50-P52 WeakPolarHBondContact O-CD 3.13Å |
| 51 | I | 59.2 | Low | 62.9 | Low | 9 Ų | 9 | 75 Ų | 75 | 5% | 0.046 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -76.9 | 118.3 | -175.2 | -51.6 | 172.4 | 0 | 0 | 0 | 108 | R36 L39 V40 Y45 S49 N53 V55 | R36-I51 HydrophobicContact CB-CD1 3.47Å; R36-I51 VanDerWaalsContact CB-CD1 3.47Å; R36-I51 HydrophobicContact CG-CD1 3.83Å; R36-I51 HydrophobicContact CG-CG2 4.27Å; R36-I51 WeakPolarHBondContact O-CD1 3.34Å; L39-I51 HydrophobicContact CB-CD1 4.44Å; L39-I51 HydrophobicContact CD1-CG2 3.92Å; V40-I51 HydrophobicContact CG2-CD1 3.78Å; V40-I51 HydrophobicContact CG2-CG1 4.33Å; Y45-I51 HydrophobicContact CD2-CG1 4.26Å; Y45-I51 HydrophobicContact CD2-CG2 4.49Å; Y45-I51 HydrophobicContact CG-CG1 4.21Å; S49-I51 VanDerWaalsContact C-N 3.35Å; I51-N53 PolarHBondContact O-N 2.81Å; I51-V55 HydrophobicContact CG2-CG2 4.12Å |
| 52 | P | 61.4 | Low | 63.5 | Low | 55 Ų | 55 | 76.2 Ų | 76.2 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | trans | -59.3 | 139 | 172.9 | 24 | -31.1 | 0 | 0 | 0 | 109.4 | Y45 E50 F54 V55 | Y45-P52 HydrophobicContact CE1-CG 4.46Å; E50-P52 VanDerWaalsContact O-CD 3.27Å; E50-P52 WeakPolarHBondContact O-CD 3.13Å; P52-F54 PolarHBondContact O-N 2.88Å; P52-V55 HydrophobicContact CG-CG2 4.23Å | ||
| 53 | N | 58.3 | Low | 63.9 | Low | 90 Ų | 90 | 76.1 Ų | 76.1 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -58.6 | -20.5 | 178.3 | -68.5 | -54.4 | 0 | 0 | 0 | 112.5 | P31 R36 I51 | P31-N53 WeakPolarHBondContact CD-O 3.32Å; R36-N53 PolarHBondContact NH2-OD1 3.12Å; I51-N53 PolarHBondContact O-N 2.81Å |
| 54 | F | 56.2 | Low | 64.5 | Low | 138 Ų | 138 | 79.9 Ų | 79.9 | 61% | 0.605 | 39% | 0.39 | S | S | * | . | trans | -115.7 | 115.8 | 173.4 | -62.3 | -77.9 | 0 | 0 | 0 | 109.4 | P52 | P52-F54 PolarHBondContact O-N 2.88Š| ||
| 55 | V | 62.1 | Low | 65.5 | Low | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.024 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.8 | 171.3 | 176.4 | 0 | 0 | 0 | 0 | 107 | P31 L39 I51 P52 V59 M60 | P31-V55 HydrophobicContact CG-CB 4.19Å; P31-V55 HydrophobicContact CG-CG2 3.88Å; L39-V55 HydrophobicContact CD1-CG1 4.46Å; L39-V55 HydrophobicContact CD1-CG2 3.94Å; L39-V55 HydrophobicContact CD2-CG1 4.31Å; I51-V55 HydrophobicContact CG2-CG2 4.12Å; P52-V55 HydrophobicContact CG-CG2 4.23Å; V55-V59 HydrophobicContact CG1-CB 3.64Å; V55-V59 HydrophobicContact CG1-CG1 3.71Å; V55-M60 HydrophobicContact CG1-CE 4.33Å |
| 56 | S | 62.2 | Low | 66.5 | Low | 53 Ų | 53 | 81.1 Ų | 81.1 | 37% | 0.371 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 140.3 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | D58 V59 M60 | S56-D58 PolarHBondContact O-N 2.84Å; S56-D58 VanDerWaalsContact O-N 3.1Å; S56-V59 WeakPolarHBondContact O-CA 3.08Å; S56-V59 WeakPolarHBondContact O-CB 3.33Å; S56-V59 PolarHBondContact O-N 3.05Å; S56-M60 PolarHBondContact O-N 2.92Å |
| 57 | Q | 65.5 | Low | 67.5 | Low | 45 Ų | 45 | 72.3 Ų | 72.3 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -49.6 | -36.5 | 177 | -72.8 | -70.7 | 11.1 | 0 | 0 | 113.2 | I26 K27 V59 M60 E61 | I26-Q57 WeakPolarHBondContact O-CG 3.36Å; I26-Q57 PolarHBondContact O-NE2 3.31Å; K27-Q57 WeakPolarHBondContact O-CG 3.43Å; K27-Q57 PolarHBondContact O-N 2.91Å; K27-Q57 VanDerWaalsContact O-N 3.08Å; Q57-V59 VanDerWaalsContact C-N 3.25Å; Q57-V59 PolarHBondContact O-N 2.7Å; Q57-M60 CarbonylContact O-C 3.55Å; Q57-M60 WeakPolarHBondContact O-CA 3.48Å; Q57-M60 WeakPolarHBondContact O-CB 3.31Å; Q57-M60 PolarHBondContact O-N 2.85Å; Q57-E61 WeakPolarHBondContact O-CG 3.34Å; Q57-E61 PolarHBondContact O-N 3.35Å |
| 58 | D | 71.1 | Confident | 69.1 | Low | 95 Ų | 95 | 76.8 Ų | 76.8 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.5 | -38.5 | 175.7 | -88.6 | 20 | 0 | 0 | 0 | 112.7 | S56 R62 | S56-D58 PolarHBondContact O-N 2.84Å; S56-D58 VanDerWaalsContact O-N 3.1Å; D58-R62 WeakPolarHBondContact O-CB 3.42Å; D58-R62 WeakPolarHBondContact O-CD 3.4Å; D58-R62 WeakPolarHBondContact O-CG 3.36Å; D58-R62 PolarHBondContact O-N 2.91Å; D58-R62 VanDerWaalsContact O-N 3.15Å |
| 59 | V | 72 | Confident | 70.6 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -71.9 | -38.8 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | L39 V55 S56 Q57 C63 | L39-V59 HydrophobicContact CD2-CG1 4.42Å; V55-V59 HydrophobicContact CG1-CB 3.64Å; V55-V59 HydrophobicContact CG1-CG1 3.71Å; S56-V59 WeakPolarHBondContact O-CA 3.08Å; S56-V59 WeakPolarHBondContact O-CB 3.33Å; S56-V59 PolarHBondContact O-N 3.05Å; Q57-V59 VanDerWaalsContact C-N 3.25Å; Q57-V59 PolarHBondContact O-N 2.7Å; V59-C63 WeakPolarHBondContact O-CB 3.41Å; V59-C63 PolarHBondContact O-N 3.4Å |
| 60 | M | 71.6 | Confident | 71.9 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 3% | 0.034 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 177 | -167.2 | 58.7 | 67.5 | 0 | 0 | 111.9 | P31 E35 L39 V55 S56 Q57 C63 R64 | P31-M60 HydrophobicContact CB-CE 3.89Å; E35-M60 HydrophobicContact CB-CE 3.85Å; E35-M60 HydrophobicContact CB-SD 4.33Å; E35-M60 HydrophobicContact CG-CE 4.37Å; E35-M60 VanDerWaalsContact OE2-CE 3.29Å; E35-M60 WeakPolarHBondContact OE2-CE 3.3Å; L39-M60 HydrophobicContact CD1-CE 3.93Å; L39-M60 HydrophobicContact CG-CE 4.36Å; V55-M60 HydrophobicContact CG1-CE 4.33Å; S56-M60 PolarHBondContact O-N 2.92Å; Q57-M60 CarbonylContact O-C 3.55Å; Q57-M60 WeakPolarHBondContact O-CA 3.48Å; Q57-M60 WeakPolarHBondContact O-CB 3.31Å; Q57-M60 PolarHBondContact O-N 2.85Å; M60-C63 VanDerWaalsContact O-CB 3.31Å; M60-C63 WeakPolarHBondContact O-CB 3.42Å; M60-C63 PolarHBondContact O-N 2.89Å; M60-R64 VanDerWaalsContact O-CG 3.3Å; M60-R64 WeakPolarHBondContact O-CG 3.37Å; M60-R64 PolarHBondContact O-N 2.91Å |
| 61 | E | 74.3 | Confident | 73.3 | Confident | 126 Ų | 126 | 74.8 Ų | 74.8 | 59% | 0.589 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 176.7 | -72.5 | -174.4 | 179.7 | 0 | 0 | 111.7 | Q57 C63 R64 N65 | Q57-E61 WeakPolarHBondContact O-CG 3.34Å; Q57-E61 PolarHBondContact O-N 3.35Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 2.87Å; E61-R64 PolarHBondContact O-N 3.09Å; E61-N65 PolarHBondContact O-N 3.25Å |
| 62 | R | 76.7 | Confident | 74.9 | Confident | 161 Ų | 161 | 76.6 Ų | 76.6 | 61% | 0.608 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.4 | -37.8 | 174.3 | -70.4 | 173.7 | -167.8 | -121.8 | 8.5 | 111.8 | D58 N65 K66 | D58-R62 WeakPolarHBondContact O-CB 3.42Å; D58-R62 WeakPolarHBondContact O-CD 3.4Å; D58-R62 WeakPolarHBondContact O-CG 3.36Å; D58-R62 PolarHBondContact O-N 2.91Å; D58-R62 VanDerWaalsContact O-N 3.15Å; R62-N65 PolarHBondContact O-N 2.9Å; R62-K66 WeakPolarHBondContact O-CG 3.41Å; R62-K66 PolarHBondContact O-N 3.44Å |
| 63 | C | 75.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62 | -50.7 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | L39 T42 V59 M60 E61 N65 K66 M67 | L39-C63 HydrophobicContact CD2-CB 4.17Å; T42-C63 VanDerWaalsContact CB-SG 3.51Å; T42-C63 PolarHBondContact OG1-SG 2.79Å; V59-C63 WeakPolarHBondContact O-CB 3.41Å; V59-C63 PolarHBondContact O-N 3.4Å; M60-C63 VanDerWaalsContact O-CB 3.31Å; M60-C63 WeakPolarHBondContact O-CB 3.42Å; M60-C63 PolarHBondContact O-N 2.89Å; E61-C63 VanDerWaalsContact C-N 3.29Å; E61-C63 PolarHBondContact O-N 2.87Å; C63-N65 VanDerWaalsContact C-N 3.32Å; C63-N65 PolarHBondContact O-N 3.43Å; C63-K66 PolarHBondContact O-N 3.37Å; C63-M67 WeakPolarHBondContact O-CB 3.23Å; C63-M67 PolarHBondContact O-N 3.36Å |
| 64 | R | 76.5 | Confident | 78.2 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 175.5 | -68.5 | 174 | 71.3 | 97.2 | 1.7 | 112.8 | M38 M60 E61 M67 R68 | M38-R64 VanDerWaalsContact CE-CA 3.42Å; M38-R64 HydrophobicContact CE-CB 3.99Å; M38-R64 HydrophobicContact CE-CG 3.55Å; M38-R64 HydrophobicContact SD-CG 4.13Å; M60-R64 VanDerWaalsContact O-CG 3.3Å; M60-R64 WeakPolarHBondContact O-CG 3.37Å; M60-R64 PolarHBondContact O-N 2.91Å; E61-R64 PolarHBondContact O-N 3.09Å; R64-M67 WeakPolarHBondContact O-CB 3.42Å; R64-M67 PolarHBondContact O-N 3.15Å; R64-R68 PolarHBondContact O-N 3.31Å; R64-R68 VanDerWaalsContact O-N 3.15Å |
| 65 | N | 82.8 | Confident | 80.1 | Confident | 82 Ų | 82 | 76.7 Ų | 76.7 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.2 | -47.5 | 178.1 | -169 | 47.8 | 0 | 0 | 0 | 112.4 | E61 R62 C63 M67 R68 I69 | E61-N65 PolarHBondContact O-N 3.25Å; R62-N65 PolarHBondContact O-N 2.9Å; C63-N65 VanDerWaalsContact C-N 3.32Å; C63-N65 PolarHBondContact O-N 3.43Å; N65-M67 PolarHBondContact O-N 2.99Å; N65-R68 PolarHBondContact O-N 3.31Å; N65-R68 PolarHBondContact OD1-NH1 3.24Å; N65-I69 WeakPolarHBondContact O-CG1 3.41Å; N65-I69 PolarHBondContact O-N 2.97Å; N65-I69 VanDerWaalsContact O-N 3.15Å |
| 66 | K | 82 | Confident | 81.7 | Confident | 97 Ų | 97 | 81.9 Ų | 81.9 | 42% | 0.422 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.5 | -37.9 | 175 | -77.3 | -176.8 | 175.7 | -165.6 | 0 | 111.9 | T42 R62 C63 I69 R70 | T42-K66 HydrophobicContact CG2-CB 3.45Å; T42-K66 VanDerWaalsContact CG2-CB 3.45Å; T42-K66 HydrophobicContact CG2-CD 3.97Å; T42-K66 HydrophobicContact CG2-CG 4.36Å; R62-K66 WeakPolarHBondContact O-CG 3.41Å; R62-K66 PolarHBondContact O-N 3.44Å; C63-K66 PolarHBondContact O-N 3.37Å; K66-I69 PolarHBondContact O-N 3.29Å; K66-R70 WeakPolarHBondContact O-CG 3.23Å; K66-R70 PolarHBondContact O-N 2.91Å |
| 67 | M | 80.4 | Confident | 83.3 | Confident | 10 Ų | 10 | 81.9 Ų | 81.9 | 5% | 0.049 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 177.5 | -165 | 64.5 | 90.5 | 0 | 0 | 112.4 | M38 W41 T42 C63 R64 N65 I69 R70 L71 | M38-M67 HydrophobicContact CB-CE 4.31Å; M38-M67 HydrophobicContact CE-CB 3.62Å; M38-M67 HydrophobicContact CE-CE 4.09Å; M38-M67 HydrophobicContact CE-CG 3.93Å; M38-M67 HydrophobicContact CG-CE 3.42Å; M38-M67 VanDerWaalsContact CG-CE 3.42Å; M38-M67 WeakPolarHBondContact O-CE 3.46Å; W41-M67 HydrophobicContact CB-CE 4.03Å; W41-M67 HydrophobicContact CD2-CE 3.73Å; W41-M67 HydrophobicContact CD2-SD 3.72Å; W41-M67 HydrophobicContact CE3-CE 3.04Å; W41-M67 HydrophobicContact CE3-CG 4.21Å; W41-M67 HydrophobicContact CE3-SD 3.05Å; W41-M67 HydrophobicContact CG-CE 4.2Å; W41-M67 HydrophobicContact CH2-SD 3.67Å; W41-M67 HydrophobicContact CZ2-SD 4.33Å; W41-M67 HydrophobicContact CZ3-CE 3.63Å; W41-M67 HydrophobicContact CZ3-CG 3.79Å; W41-M67 HydrophobicContact CZ3-SD 3Å; W41-M67 WeakPolarHBondContact CZ3-SD 3.48Å; T42-M67 WeakPolarHBondContact OG1-CE 3.4Å; C63-M67 WeakPolarHBondContact O-CB 3.23Å; C63-M67 PolarHBondContact O-N 3.36Å; R64-M67 WeakPolarHBondContact O-CB 3.42Å; R64-M67 PolarHBondContact O-N 3.15Å; N65-M67 PolarHBondContact O-N 2.99Å; M67-I69 VanDerWaalsContact C-N 3.31Å; M67-I69 PolarHBondContact O-N 3.26Å; M67-R70 PolarHBondContact O-N 3.4Å; M67-L71 HydrophobicContact CG-CD1 3.94Å; M67-L71 WeakPolarHBondContact O-CB 3Å; M67-L71 WeakPolarHBondContact O-CG 3.48Å; M67-L71 PolarHBondContact O-N 3.2Å |
| 68 | R | 86.9 | Confident | 84.9 | Confident | 146 Ų | 146 | 84.6 Ų | 84.6 | 55% | 0.551 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 178.4 | -169 | -176.9 | -59.8 | 106.1 | -2 | 111.7 | R64 N65 L71 A72 | R64-R68 PolarHBondContact O-N 3.31Å; R64-R68 VanDerWaalsContact O-N 3.15Å; N65-R68 PolarHBondContact O-N 3.31Å; N65-R68 PolarHBondContact OD1-NH1 3.24Å; R68-L71 PolarHBondContact O-N 3.42Å; R68-A72 WeakPolarHBondContact O-CB 3.46Å; R68-A72 PolarHBondContact O-N 3.33Å |
| 69 | I | 89.2 | Confident | 86.1 | Confident | 84 Ų | 84 | 84.3 Ų | 84.3 | 43% | 0.431 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 178.6 | -62.4 | 164.4 | 0 | 0 | 0 | 110.6 | N65 K66 M67 A72 N73 | N65-I69 WeakPolarHBondContact O-CG1 3.41Å; N65-I69 PolarHBondContact O-N 2.97Å; N65-I69 VanDerWaalsContact O-N 3.15Å; K66-I69 PolarHBondContact O-N 3.29Å; M67-I69 VanDerWaalsContact C-N 3.31Å; M67-I69 PolarHBondContact O-N 3.26Å; I69-A72 PolarHBondContact O-N 3.15Å; I69-N73 WeakPolarHBondContact O-CB 3.39Å; I69-N73 VanDerWaalsContact O-CG 3.31Å; I69-N73 PolarHBondContact O-N 2.93Å; I69-N73 PolarHBondContact O-OD1 2.93Å |
| 70 | R | 86.7 | Confident | 87.3 | Confident | 108 Ų | 108 | 85.2 Ų | 85.2 | 41% | 0.408 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.1 | -74.9 | -178.9 | 174.6 | -167.9 | -0.1 | 112.3 | W41 T42 K66 M67 N73 I74 | W41-R70 PolarHBondContact O-NH1 3.4Å; T42-R70 PolarHBondContact O-NH1 3.37Å; T42-R70 VanDerWaalsContact O-NH1 3.09Å; T42-R70 PolarHBondContact O-NH2 2.97Å; T42-R70 VanDerWaalsContact O-NH2 3.09Å; K66-R70 WeakPolarHBondContact O-CG 3.23Å; K66-R70 PolarHBondContact O-N 2.91Å; M67-R70 PolarHBondContact O-N 3.4Å; R70-N73 PolarHBondContact O-N 3.4Å; R70-I74 VanDerWaalsContact O-CG1 3.28Å; R70-I74 WeakPolarHBondContact O-CG1 3.46Å; R70-I74 PolarHBondContact O-N 2.94Å |
| 71 | L | 89.3 | Confident | 88.5 | Confident | 86 Ų | 86 | 88.9 Ų | 88.9 | 45% | 0.45 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 175.4 | -80.1 | 157.7 | 0 | 0 | 0 | 111.4 | W41 M67 R68 N73 I74 M75 | W41-L71 HydrophobicContact CH2-CD1 4.5Å; W41-L71 HydrophobicContact CH2-CD2 3.86Å; W41-L71 HydrophobicContact CH2-CG 3.94Å; W41-L71 HydrophobicContact CZ3-CD1 4.49Å; W41-L71 HydrophobicContact CZ3-CD2 4.47Å; W41-L71 HydrophobicContact CZ3-CG 4.41Å; M67-L71 HydrophobicContact CG-CD1 3.94Å; M67-L71 WeakPolarHBondContact O-CB 3Å; M67-L71 WeakPolarHBondContact O-CG 3.48Å; M67-L71 PolarHBondContact O-N 3.2Å; R68-L71 PolarHBondContact O-N 3.42Å; L71-N73 PolarHBondContact O-N 3.41Å; L71-I74 PolarHBondContact O-N 3.43Å; L71-M75 WeakPolarHBondContact O-CG 3.28Å; L71-M75 PolarHBondContact O-N 3.3Å |
| 72 | A | 93.4 | Very high | 89.6 | Confident | 46 Ų | 46 | 84.7 Ų | 84.7 | 38% | 0.38 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R68 I69 I74 M75 I76 | R68-A72 WeakPolarHBondContact O-CB 3.46Å; R68-A72 PolarHBondContact O-N 3.33Å; I69-A72 PolarHBondContact O-N 3.15Å; A72-I74 VanDerWaalsContact C-N 3.33Å; A72-I74 PolarHBondContact O-N 3.29Å; A72-M75 PolarHBondContact O-N 3.5Å; A72-M75 VanDerWaalsContact O-N 3.16Å; A72-I76 VanDerWaalsContact O-CG1 3.27Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.5Å |
| 73 | N | 93.6 | Very high | 90.5 | Very high | 99 Ų | 99 | 80.5 Ų | 80.5 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 177.4 | -74 | 6.1 | 0 | 0 | 0 | 112.3 | I69 R70 L71 I76 A77 | I69-N73 WeakPolarHBondContact O-CB 3.39Å; I69-N73 VanDerWaalsContact O-CG 3.31Å; I69-N73 PolarHBondContact O-N 2.93Å; I69-N73 PolarHBondContact O-OD1 2.93Å; R70-N73 PolarHBondContact O-N 3.4Å; L71-N73 PolarHBondContact O-N 3.41Å; N73-I76 PolarHBondContact O-N 2.97Å; N73-A77 WeakPolarHBondContact O-CB 3.45Å; N73-A77 PolarHBondContact O-N 3.41Å |
| 74 | I | 93.8 | Very high | 91.5 | Very high | 81 Ų | 81 | 83.5 Ų | 83.5 | 42% | 0.415 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 174.1 | -69 | 164.9 | 0 | 0 | 0 | 110.4 | R70 L71 A72 A77 L78 | R70-I74 VanDerWaalsContact O-CG1 3.28Å; R70-I74 WeakPolarHBondContact O-CG1 3.46Å; R70-I74 PolarHBondContact O-N 2.94Å; L71-I74 PolarHBondContact O-N 3.43Å; A72-I74 VanDerWaalsContact C-N 3.33Å; A72-I74 PolarHBondContact O-N 3.29Å; I74-A77 PolarHBondContact O-N 3.32Å; I74-L78 HydrophobicContact CG2-CD1 3.78Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CB 3.35Å; I74-L78 WeakPolarHBondContact O-CG 3.31Å; I74-L78 PolarHBondContact O-N 2.89Å |
| 75 | M | 95.6 | Very high | 92.4 | Very high | 106 Ų | 106 | 82.3 Ų | 82.3 | 52% | 0.522 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.6 | -69.8 | -78.5 | 77.7 | 0 | 0 | 112.4 | L71 A72 A77 L78 T79 | L71-M75 WeakPolarHBondContact O-CG 3.28Å; L71-M75 PolarHBondContact O-N 3.3Å; A72-M75 PolarHBondContact O-N 3.5Å; A72-M75 VanDerWaalsContact O-N 3.16Å; M75-A77 VanDerWaalsContact C-N 3.31Å; M75-A77 PolarHBondContact O-N 3.02Å; M75-L78 HydrophobicContact CE-CB 4.34Å; M75-L78 HydrophobicContact CE-CD1 3.43Å; M75-L78 VanDerWaalsContact CE-CD1 3.43Å; M75-L78 HydrophobicContact CE-CG 4.47Å; M75-L78 PolarHBondContact O-N 3.16Å; M75-T79 WeakPolarHBondContact O-CB 3.48Å; M75-T79 PolarHBondContact O-N 2.91Å; M75-T79 PolarHBondContact O-OG1 3.32Å |
| 76 | I | 96.3 | Very high | 92.8 | Very high | 112 Ų | 112 | 85.5 Ų | 85.5 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.5 | -46.4 | 176 | -66.6 | 162.1 | 0 | 0 | 0 | 110.4 | A72 N73 T79 A80 | A72-I76 VanDerWaalsContact O-CG1 3.27Å; A72-I76 WeakPolarHBondContact O-CG1 3.32Å; A72-I76 PolarHBondContact O-N 3.5Å; N73-I76 PolarHBondContact O-N 2.97Å; I76-T79 PolarHBondContact O-N 2.9Å; I76-A80 WeakPolarHBondContact O-CB 3.27Å; I76-A80 PolarHBondContact O-N 3.44Å |
| 77 | A | 97.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 85.3 Ų | 85.3 | 45% | 0.446 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N73 I74 M75 T79 A80 V81 | N73-A77 WeakPolarHBondContact O-CB 3.45Å; N73-A77 PolarHBondContact O-N 3.41Å; I74-A77 PolarHBondContact O-N 3.32Å; M75-A77 VanDerWaalsContact C-N 3.31Å; M75-A77 PolarHBondContact O-N 3.02Å; A77-T79 PolarHBondContact O-N 2.89Å; A77-A80 PolarHBondContact O-N 3.04Å; A77-V81 VanDerWaalsContact O-CG2 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.47Å |
| 78 | L | 97.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 92.4 Ų | 92.4 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 178.1 | -73.6 | 172.5 | 0 | 0 | 0 | 112.2 | I74 M75 V81 G82 | I74-L78 HydrophobicContact CG2-CD1 3.78Å; I74-L78 HydrophobicContact CG2-CG 4.31Å; I74-L78 WeakPolarHBondContact O-CB 3.35Å; I74-L78 WeakPolarHBondContact O-CG 3.31Å; I74-L78 PolarHBondContact O-N 2.89Å; M75-L78 HydrophobicContact CE-CB 4.34Å; M75-L78 HydrophobicContact CE-CD1 3.43Å; M75-L78 VanDerWaalsContact CE-CD1 3.43Å; M75-L78 HydrophobicContact CE-CG 4.47Å; M75-L78 PolarHBondContact O-N 3.16Å; L78-V81 PolarHBondContact O-N 3.42Å; L78-G82 PolarHBondContact O-N 2.9Å |
| 79 | T | 96.7 | Very high | 93.6 | Very high | 89 Ų | 89 | 88.6 Ų | 88.6 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | M75 I76 A77 V81 G82 C83 | M75-T79 WeakPolarHBondContact O-CB 3.48Å; M75-T79 PolarHBondContact O-N 2.91Å; M75-T79 PolarHBondContact O-OG1 3.32Å; I76-T79 PolarHBondContact O-N 2.9Å; A77-T79 PolarHBondContact O-N 2.89Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 2.97Å; T79-G82 PolarHBondContact O-N 3.42Å; T79-C83 PolarHBondContact O-N 3.2Å; T79-C83 PolarHBondContact O-SG 3.18Å |
| 80 | A | 97.2 | Very high | 93.4 | Very high | 59 Ų | 59 | 86.6 Ų | 86.6 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I76 A77 C83 A84 | I76-A80 WeakPolarHBondContact O-CB 3.27Å; I76-A80 PolarHBondContact O-N 3.44Å; A77-A80 PolarHBondContact O-N 3.04Å; A80-C83 PolarHBondContact O-N 2.94Å; A80-A84 PolarHBondContact O-N 3.43Å |
| 81 | V | 97.3 | Very high | 93.3 | Very high | 84 Ų | 84 | 87.9 Ų | 87.9 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | A77 L78 T79 C83 A84 I85 | A77-V81 VanDerWaalsContact O-CG2 3.31Å; A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.47Å; L78-V81 PolarHBondContact O-N 3.42Å; T79-V81 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 2.97Å; V81-C83 VanDerWaalsContact C-N 3.35Å; V81-C83 PolarHBondContact O-N 3.4Å; V81-A84 PolarHBondContact O-N 2.96Å; V81-I85 HydrophobicContact CG1-CD1 3.83Å; V81-I85 HydrophobicContact CG1-CG1 4.43Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.27Å |
| 82 | G | 96.9 | Very high | 92.9 | Very high | 38 Ų | 38 | 89.1 Ų | 89.1 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L78 T79 I85 M86 | L78-G82 PolarHBondContact O-N 2.9Å; T79-G82 PolarHBondContact O-N 3.42Å; G82-I85 PolarHBondContact O-N 3.43Å; G82-M86 WeakPolarHBondContact O-CB 3.36Å; G82-M86 PolarHBondContact O-N 2.95Å |
| 83 | C | 96.7 | Very high | 92 | Very high | 74 Ų | 74 | 89.4 Ų | 89.4 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 174 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | T79 A80 V81 I85 M86 V87 | T79-C83 PolarHBondContact O-N 3.2Å; T79-C83 PolarHBondContact O-SG 3.18Å; A80-C83 PolarHBondContact O-N 2.94Å; V81-C83 VanDerWaalsContact C-N 3.35Å; V81-C83 PolarHBondContact O-N 3.4Å; C83-I85 PolarHBondContact O-N 2.96Å; C83-M86 PolarHBondContact O-N 2.89Å; C83-V87 WeakPolarHBondContact O-CG2 3.37Å; C83-V87 PolarHBondContact O-N 2.86Å |
| 84 | A | 95.4 | Very high | 91 | Very high | 62 Ų | 62 | 88.4 Ų | 88.4 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A80 V81 M86 V87 Y88 | A80-A84 PolarHBondContact O-N 3.43Å; V81-A84 PolarHBondContact O-N 2.96Å; A84-M86 VanDerWaalsContact C-N 3.33Å; A84-M86 PolarHBondContact O-N 3.28Å; A84-V87 PolarHBondContact O-N 3.48Å; A84-Y88 PolarHBondContact O-N 3.5Å |
| 85 | I | 95.2 | Very high | 89.9 | Confident | 110 Ų | 110 | 93.1 Ų | 93.1 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 174.7 | -68 | 167.6 | 0 | 0 | 0 | 110.2 | V81 G82 C83 V87 Y88 S89 | V81-I85 HydrophobicContact CG1-CD1 3.83Å; V81-I85 HydrophobicContact CG1-CG1 4.43Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.27Å; G82-I85 PolarHBondContact O-N 3.43Å; C83-I85 PolarHBondContact O-N 2.96Å; I85-V87 PolarHBondContact O-N 3.37Å; I85-Y88 PolarHBondContact O-N 3.5Å; I85-S89 WeakPolarHBondContact O-CB 3.32Å; I85-S89 PolarHBondContact O-N 3.24Å |
| 86 | M | 92.7 | Very high | 88.5 | Confident | 149 Ų | 149 | 94.6 Ų | 94.6 | 73% | 0.734 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.3 | -38.8 | 179.6 | -168.7 | 147.6 | -164.3 | 0 | 0 | 112.4 | G82 C83 A84 G90 | G82-M86 WeakPolarHBondContact O-CB 3.36Å; G82-M86 PolarHBondContact O-N 2.95Å; C83-M86 PolarHBondContact O-N 2.89Å; A84-M86 VanDerWaalsContact C-N 3.33Å; A84-M86 PolarHBondContact O-N 3.28Å; M86-G90 PolarHBondContact O-N 2.86Å |
| 87 | V | 92.5 | Very high | 86.9 | Confident | 93 Ų | 93 | 91 Ų | 91 | 56% | 0.564 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | C83 A84 I85 G90 K91 | C83-V87 WeakPolarHBondContact O-CG2 3.37Å; C83-V87 PolarHBondContact O-N 2.86Å; A84-V87 PolarHBondContact O-N 3.48Å; I85-V87 PolarHBondContact O-N 3.37Å; V87-G90 PolarHBondContact O-N 3.45Å; V87-K91 HydrophobicContact CG1-CD 4.22Å; V87-K91 WeakPolarHBondContact O-CG 3.45Å; V87-K91 PolarHBondContact O-N 2.91Å |
| 88 | Y | 89.8 | Confident | 85.2 | Confident | 160 Ų | 160 | 92.2 Ų | 92.2 | 63% | 0.627 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -47.1 | 177.1 | -178.3 | -93.8 | 0 | 0 | 0 | 111.7 | A84 I85 G90 K91 Q92 | A84-Y88 PolarHBondContact O-N 3.5Å; I85-Y88 PolarHBondContact O-N 3.5Å; Y88-G90 VanDerWaalsContact C-N 3.35Å; Y88-G90 PolarHBondContact O-N 3.24Å; Y88-K91 PolarHBondContact O-N 3.48Å; Y88-Q92 WeakPolarHBondContact O-CB 3.41Å; Y88-Q92 PolarHBondContact O-N 2.83Å |
| 89 | S | 84 | Confident | 83.5 | Confident | 66 Ų | 66 | 90.1 Ų | 90.1 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | I85 K91 Q92 A93 | I85-S89 WeakPolarHBondContact O-CB 3.32Å; I85-S89 PolarHBondContact O-N 3.24Å; S89-K91 PolarHBondContact O-N 3.41Å; S89-Q92 PolarHBondContact O-N 2.84Å; S89-A93 WeakPolarHBondContact O-CB 3.33Å; S89-A93 PolarHBondContact O-N 3.19Å |
| 90 | G | 84.6 | Confident | 81.9 | Confident | 42 Ų | 42 | 91.4 Ų | 91.4 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M86 V87 Y88 A94 | M86-G90 PolarHBondContact O-N 2.86Å; V87-G90 PolarHBondContact O-N 3.45Å; Y88-G90 VanDerWaalsContact C-N 3.35Å; Y88-G90 PolarHBondContact O-N 3.24Å; G90-A94 VanDerWaalsContact O-CB 3.29Å; G90-A94 WeakPolarHBondContact O-CB 3.27Å; G90-A94 PolarHBondContact O-N 2.86Å |
| 91 | K | 84.8 | Confident | 80.4 | Confident | 134 Ų | 134 | 92.9 Ų | 92.9 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.9 | -36 | 174.6 | -70.6 | -179.1 | 78.3 | 179.5 | 0 | 112.2 | V87 Y88 S89 K95 | V87-K91 HydrophobicContact CG1-CD 4.22Å; V87-K91 WeakPolarHBondContact O-CG 3.45Å; V87-K91 PolarHBondContact O-N 2.91Å; Y88-K91 PolarHBondContact O-N 3.48Å; S89-K91 PolarHBondContact O-N 3.41Å; K91-K95 WeakPolarHBondContact O-CB 3.43Å; K91-K95 VanDerWaalsContact O-CG 3.27Å; K91-K95 WeakPolarHBondContact O-CG 3.29Å; K91-K95 PolarHBondContact O-N 3.14Å |
| 92 | Q | 80 | Confident | 79 | Confident | 112 Ų | 112 | 95 Ų | 95 | 52% | 0.523 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 176.6 | -173.7 | 173.2 | 16.4 | 0 | 0 | 111.4 | Y88 S89 K95 K96 | Y88-Q92 WeakPolarHBondContact O-CB 3.41Å; Y88-Q92 PolarHBondContact O-N 2.83Å; S89-Q92 PolarHBondContact O-N 2.84Å; Q92-K95 PolarHBondContact O-N 3.44Å; Q92-K96 PolarHBondContact O-N 2.93Å |
| 93 | A | 73.8 | Confident | 77.7 | Confident | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S89 K95 K96 G97 | S89-A93 WeakPolarHBondContact O-CB 3.33Å; S89-A93 PolarHBondContact O-N 3.19Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 3.26Å; A93-K96 PolarHBondContact O-N 3.3Å; A93-G97 PolarHBondContact O-N 3.24Å |
| 94 | A | 73.3 | Confident | 76.7 | Confident | 78 Ų | 78 | 98.5 Ų | 98.5 | 65% | 0.645 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G90 G97 | G90-A94 VanDerWaalsContact O-CB 3.29Å; G90-A94 WeakPolarHBondContact O-CB 3.27Å; G90-A94 PolarHBondContact O-N 2.86Å; A94-G97 PolarHBondContact O-N 3.08Å |
| 95 | K | 71 | Confident | 75.5 | Confident | 180 Ų | 180 | 101 Ų | 101 | 78% | 0.783 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67 | -37.6 | 174.7 | -76.7 | 177.8 | -178.5 | -174.2 | 0 | 113.1 | K91 Q92 A93 G97 | K91-K95 WeakPolarHBondContact O-CB 3.43Å; K91-K95 VanDerWaalsContact O-CG 3.27Å; K91-K95 WeakPolarHBondContact O-CG 3.29Å; K91-K95 PolarHBondContact O-N 3.14Å; Q92-K95 PolarHBondContact O-N 3.44Å; A93-K95 VanDerWaalsContact C-N 3.34Å; A93-K95 PolarHBondContact O-N 3.26Å; K95-G97 PolarHBondContact O-N 2.96Å; K95-G97 VanDerWaalsContact O-N 3.14Å |
| 96 | K | 66.9 | Low | 74.6 | Confident | 136 Ų | 136 | 101.3 Ų | 101.3 | 59% | 0.591 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.2 | -19.9 | 175.7 | -153.6 | 168.6 | -164.3 | -84 | 0 | 111 | Q92 A93 E98 | Q92-K96 PolarHBondContact O-N 2.93Å; A93-K96 PolarHBondContact O-N 3.3Å; K96-E98 HydrophobicContact CB-CG 4.3Å; K96-E98 HydrophobicContact CD-CG 4.15Å; K96-E98 WeakPolarHBondContact CD-OE1 3.49Å; K96-E98 HydrophobicContact CG-CG 3.93Å; K96-E98 IonicContact NZ-OE1 3.68Å; K96-E98 PolarHBondContact NZ-OE1 3.23Å; K96-E98 IonicContact NZ-OE2 3.27Å; K96-E98 PolarHBondContact O-N 2.54Å; K96-E98 VanDerWaalsContact O-N 3.08Å |
| 97 | G | 62.1 | Low | 73.7 | Confident | 36 Ų | 36 | 101 Ų | 101 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | A93 A94 K95 S99 | A93-G97 PolarHBondContact O-N 3.24Å; A94-G97 PolarHBondContact O-N 3.08Å; K95-G97 PolarHBondContact O-N 2.96Å; K95-G97 VanDerWaalsContact O-N 3.14Å; G97-S99 PolarHBondContact O-N 2.82Å |
| 98 | E | 60.3 | Low | 73 | Confident | 80 Ų | 80 | 100.9 Ų | 100.9 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | trans | -70.8 | 80.2 | 170 | -75.5 | -179.2 | 163.7 | 0 | 0 | 106.7 | K96 | K96-E98 HydrophobicContact CB-CG 4.3Å; K96-E98 HydrophobicContact CD-CG 4.15Å; K96-E98 WeakPolarHBondContact CD-OE1 3.49Å; K96-E98 HydrophobicContact CG-CG 3.93Å; K96-E98 IonicContact NZ-OE1 3.68Å; K96-E98 PolarHBondContact NZ-OE1 3.23Å; K96-E98 IonicContact NZ-OE2 3.27Å; K96-E98 PolarHBondContact O-N 2.54Å; K96-E98 VanDerWaalsContact O-N 3.08Å | ||
| 99 | S | 62.8 | Low | 72.5 | Confident | 58 Ų | 58 | 99.9 Ų | 99.9 | 41% | 0.406 | 53% | 0.527 | S | S | . | . | trans | -52.1 | 140.2 | 159.6 | 166.8 | 0 | 0 | 0 | 0 | 107.8 | G97 T101 K102 M103 | G97-S99 PolarHBondContact O-N 2.82Å; S99-T101 PolarHBondContact O-N 3.17Å; S99-T101 PolarHBondContact OG-N 3.29Å; S99-T101 PolarHBondContact OG-OG1 3.35Å; S99-K102 PolarHBondContact O-N 3.04Å; S99-M103 PolarHBondContact O-N 3.32Å | ||
| 100 | V | 62.9 | Low | 72.2 | Confident | 116 Ų | 116 | 101.7 Ų | 101.7 | 70% | 0.703 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -46.2 | -32.2 | 171.7 | 179.4 | 0 | 0 | 0 | 0 | 111 | N104 | V100-N104 WeakPolarHBondContact O-CB 3.41Å; V100-N104 PolarHBondContact O-N 2.93Å |
| 101 | T | 66 | Low | 71.8 | Confident | 90 Ų | 90 | 105 Ų | 105 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.6 | -39.2 | 176.7 | -30.8 | 0 | 0 | 0 | 0 | 113.4 | S99 N104 L105 | S99-T101 PolarHBondContact O-N 3.17Å; S99-T101 PolarHBondContact OG-N 3.29Å; S99-T101 PolarHBondContact OG-OG1 3.35Å; T101-N104 PolarHBondContact O-N 2.88Å; T101-L105 WeakPolarHBondContact O-CG 3.4Å; T101-L105 PolarHBondContact O-N 3.49Å |
| 102 | K | 67.5 | Low | 71.4 | Confident | 129 Ų | 129 | 103.6 Ų | 103.6 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.1 | -43.8 | 178.3 | -70.5 | -175.6 | -179.2 | 173.7 | 0 | 111.2 | S99 N104 L105 E106 | S99-K102 PolarHBondContact O-N 3.04Å; K102-N104 VanDerWaalsContact C-N 3.28Å; K102-N104 PolarHBondContact O-N 2.9Å; K102-L105 PolarHBondContact O-N 3.18Å; K102-E106 WeakPolarHBondContact O-CB 3.33Å; K102-E106 PolarHBondContact O-N 3.43Å |
| 103 | M | 70.3 | Confident | 71.2 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 177.5 | -170.2 | 168.1 | 66.6 | 0 | 0 | 111.2 | S99 W107 | S99-M103 PolarHBondContact O-N 3.32Å; M103-W107 WeakPolarHBondContact O-CB 3.34Å; M103-W107 PolarHBondContact O-N 3.48Å |
| 104 | N | 73.9 | Confident | 71.2 | Confident | 75 Ų | 75 | 102.7 Ų | 102.7 | 40% | 0.401 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 174 | -168.6 | 50.7 | 0 | 0 | 0 | 112.6 | V100 T101 K102 W107 H108 | V100-N104 WeakPolarHBondContact O-CB 3.41Å; V100-N104 PolarHBondContact O-N 2.93Å; T101-N104 PolarHBondContact O-N 2.88Å; K102-N104 VanDerWaalsContact C-N 3.28Å; K102-N104 PolarHBondContact O-N 2.9Å; N104-W107 PolarHBondContact O-N 2.74Å; N104-H108 PolarHBondContact ND2-NE2 3.22Å; N104-H108 PolarHBondContact O-CD2 2.92Å; N104-H108 PolarHBondContact O-N 2.78Å; N104-H108 PolarHBondContact OD1-NE2 3.3Å |
| 105 | L | 72.2 | Confident | 71 | Confident | 116 Ų | 116 | 104 Ų | 104 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 177.4 | -71 | 173.4 | 0 | 0 | 0 | 112.1 | T101 K102 H108 K109 | T101-L105 WeakPolarHBondContact O-CG 3.4Å; T101-L105 PolarHBondContact O-N 3.49Å; K102-L105 PolarHBondContact O-N 3.18Å; L105-H108 PolarHBondContact O-N 3.1Å; L105-K109 WeakPolarHBondContact O-CB 3.46Å; L105-K109 PolarHBondContact O-N 3.41Å |
| 106 | E | 76 | Confident | 70.8 | Confident | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 173.9 | -174.4 | 173.6 | -161.2 | 0 | 0 | 110.9 | K102 K109 Q110 | K102-E106 WeakPolarHBondContact O-CB 3.33Å; K102-E106 PolarHBondContact O-N 3.43Å; E106-K109 PolarHBondContact O-N 3.39Å; E106-K109 VanDerWaalsContact O-N 3.17Å; E106-Q110 WeakPolarHBondContact O-CG 3.44Å; E106-Q110 PolarHBondContact O-N 2.95Å |
| 107 | W | 74.1 | Confident | 70.5 | Confident | 141 Ų | 141 | 99 Ų | 99 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 177 | -176.4 | 60 | 0 | 0 | 0 | 113.1 | M103 N104 K109 Q110 F111 | M103-W107 WeakPolarHBondContact O-CB 3.34Å; M103-W107 PolarHBondContact O-N 3.48Å; N104-W107 PolarHBondContact O-N 2.74Å; W107-K109 VanDerWaalsContact C-N 3.33Å; W107-Q110 WeakPolarHBondContact O-CG 3.46Å; W107-F111 WeakPolarHBondContact O-CB 3.01Å; W107-F111 PolarHBondContact O-N 3.02Å |
| 108 | H | 76.9 | Confident | 70.3 | Confident | 91 Ų | 91 | 104.2 Ų | 104.2 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 173.8 | -72.2 | -54.6 | 0 | 0 | 0 | 112.3 | N104 L105 F111 N112 | N104-H108 PolarHBondContact ND2-NE2 3.22Å; N104-H108 PolarHBondContact O-CD2 2.92Å; N104-H108 PolarHBondContact O-N 2.78Å; N104-H108 PolarHBondContact OD1-NE2 3.3Å; L105-H108 PolarHBondContact O-N 3.1Å; H108-F111 PolarHBondContact O-N 3.18Å; H108-N112 PolarHBondContact O-N 3.39Å; H108-N112 VanDerWaalsContact O-N 3.1Å |
| 109 | K | 78.5 | Confident | 70.3 | Confident | 139 Ų | 139 | 103.5 Ų | 103.5 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.8 | -47.2 | 179.3 | -164 | -178.6 | 179.2 | -167.7 | 0 | 111.9 | L105 E106 W107 F111 N112 D113 | L105-K109 WeakPolarHBondContact O-CB 3.46Å; L105-K109 PolarHBondContact O-N 3.41Å; E106-K109 PolarHBondContact O-N 3.39Å; E106-K109 VanDerWaalsContact O-N 3.17Å; W107-K109 VanDerWaalsContact C-N 3.33Å; K109-F111 VanDerWaalsContact C-N 3.25Å; K109-F111 PolarHBondContact O-N 2.86Å; K109-N112 PolarHBondContact O-N 3.4Å; K109-D113 WeakPolarHBondContact O-CB 3.4Å; K109-D113 VanDerWaalsContact O-CG 3.3Å; K109-D113 PolarHBondContact O-N 3.16Å |
| 110 | Q | 79.3 | Confident | 69.8 | Low | 105 Ų | 105 | 104.6 Ų | 104.6 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -36.2 | 175.9 | 62.5 | 174.5 | 95.2 | 0 | 0 | 111.8 | E106 W107 D113 S114 | E106-Q110 WeakPolarHBondContact O-CG 3.44Å; E106-Q110 PolarHBondContact O-N 2.95Å; W107-Q110 WeakPolarHBondContact O-CG 3.46Å; Q110-D113 PolarHBondContact O-N 3.37Å; Q110-S114 WeakPolarHBondContact O-CB 3.42Å; Q110-S114 PolarHBondContact O-N 2.89Å; Q110-S114 PolarHBondContact O-OG 3.04Å |
| 111 | F | 75.5 | Confident | 69.3 | Low | 112 Ų | 112 | 102.8 Ų | 102.8 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | -178.5 | -166.5 | -102.6 | 0 | 0 | 0 | 111.2 | W107 H108 K109 Q115 | W107-F111 WeakPolarHBondContact O-CB 3.01Å; W107-F111 PolarHBondContact O-N 3.02Å; H108-F111 PolarHBondContact O-N 3.18Å; K109-F111 VanDerWaalsContact C-N 3.25Å; K109-F111 PolarHBondContact O-N 2.86Å; F111-Q115 HydrophobicContact CD1-CG 4.47Å; F111-Q115 VanDerWaalsContact CD1-NE2 3.32Å; F111-Q115 VanDerWaalsContact CE1-CD 3.44Å; F111-Q115 HydrophobicContact CE1-CG 4.23Å; F111-Q115 HydrophobicContact CZ-CG 4.46Å; F111-Q115 WeakPolarHBondContact O-CB 3.26Å; F111-Q115 VanDerWaalsContact O-CG 3.26Å; F111-Q115 WeakPolarHBondContact O-CG 3.44Å; F111-Q115 PolarHBondContact O-N 3.49Å; F111-Q115 VanDerWaalsContact O-N 3.1Å |
| 112 | N | 76.7 | Confident | 68.5 | Low | 103 Ų | 103 | 103.6 Ų | 103.6 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.8 | -42.5 | 173.6 | -85.9 | 33.1 | 0 | 0 | 0 | 112.4 | H108 K109 Q115 Q116 | H108-N112 PolarHBondContact O-N 3.39Å; H108-N112 VanDerWaalsContact O-N 3.1Å; K109-N112 PolarHBondContact O-N 3.4Å; N112-Q115 PolarHBondContact O-N 3.06Å; N112-Q116 WeakPolarHBondContact O-CB 3.38Å; N112-Q116 PolarHBondContact O-N 2.95Å |
| 113 | D | 75.7 | Confident | 67.8 | Low | 88 Ų | 88 | 101.7 Ų | 101.7 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -43.1 | 179.8 | -71 | -10.2 | 0 | 0 | 0 | 111.1 | K109 Q110 Q116 S117 | K109-D113 WeakPolarHBondContact O-CB 3.4Å; K109-D113 VanDerWaalsContact O-CG 3.3Å; K109-D113 PolarHBondContact O-N 3.16Å; Q110-D113 PolarHBondContact O-N 3.37Å; D113-Q116 PolarHBondContact O-N 3.24Å; D113-S117 PolarHBondContact O-N 3.02Å |
| 114 | S | 73.3 | Confident | 66.7 | Low | 58 Ų | 58 | 101.2 Ų | 101.2 | 41% | 0.406 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.5 | -46.9 | 174.7 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | Q110 Q116 S117 E118 | Q110-S114 WeakPolarHBondContact O-CB 3.42Å; Q110-S114 PolarHBondContact O-N 2.89Å; Q110-S114 PolarHBondContact O-OG 3.04Å; S114-Q116 VanDerWaalsContact C-N 3.32Å; S114-Q116 PolarHBondContact O-N 3.42Å; S114-S117 PolarHBondContact O-N 2.95Å; S114-S117 PolarHBondContact O-OG 3.48Å; S114-E118 WeakPolarHBondContact O-CG 3.33Å; S114-E118 PolarHBondContact O-N 2.81Å |
| 115 | Q | 69.8 | Low | 65.4 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.7 | -36.4 | 177.8 | -72.4 | -172.3 | 113.2 | 0 | 0 | 112.6 | F111 N112 G119 | F111-Q115 HydrophobicContact CD1-CG 4.47Å; F111-Q115 VanDerWaalsContact CD1-NE2 3.32Å; F111-Q115 VanDerWaalsContact CE1-CD 3.44Å; F111-Q115 HydrophobicContact CE1-CG 4.23Å; F111-Q115 HydrophobicContact CZ-CG 4.46Å; F111-Q115 WeakPolarHBondContact O-CB 3.26Å; F111-Q115 VanDerWaalsContact O-CG 3.26Å; F111-Q115 WeakPolarHBondContact O-CG 3.44Å; F111-Q115 PolarHBondContact O-N 3.49Å; F111-Q115 VanDerWaalsContact O-N 3.1Å; N112-Q115 PolarHBondContact O-N 3.06Å; Q115-G119 PolarHBondContact O-N 3.39Å |
| 116 | Q | 65.6 | Low | 65 | Low | 144 Ų | 144 | 110.6 Ų | 110.6 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.5 | -34.8 | 176.7 | -173.2 | 149.7 | 72.9 | 0 | 0 | 112 | N112 D113 S114 S120 | N112-Q116 WeakPolarHBondContact O-CB 3.38Å; N112-Q116 PolarHBondContact O-N 2.95Å; D113-Q116 PolarHBondContact O-N 3.24Å; S114-Q116 VanDerWaalsContact C-N 3.32Å; S114-Q116 PolarHBondContact O-N 3.42Å; Q116-S120 WeakPolarHBondContact O-CB 3.32Å; Q116-S120 PolarHBondContact O-N 3.48Å; Q116-S120 VanDerWaalsContact O-N 3.16Å; Q116-S120 PolarHBondContact O-OG 3Å |
| 117 | S | 60.9 | Low | 64.5 | Low | 68 Ų | 68 | 110.3 Ų | 110.3 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.4 | -39.5 | 174.6 | 75.1 | 0 | 0 | 0 | 0 | 112.6 | D113 S114 S120 A121 | D113-S117 PolarHBondContact O-N 3.02Å; S114-S117 PolarHBondContact O-N 2.95Å; S114-S117 PolarHBondContact O-OG 3.48Å; S117-S120 PolarHBondContact O-OG 2.92Å; S117-A121 WeakPolarHBondContact O-CB 3.4Å; S117-A121 PolarHBondContact O-N 3.3Å |
| 118 | E | 59 | Low | 63.9 | Low | 146 Ų | 146 | 108.6 Ų | 108.6 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72 | -39.7 | 176.6 | -68.5 | -176.5 | -169.2 | 0 | 0 | 111.6 | S114 S120 A121 | S114-E118 WeakPolarHBondContact O-CG 3.33Å; S114-E118 PolarHBondContact O-N 2.81Å; E118-S120 VanDerWaalsContact C-N 3.29Å; E118-S120 PolarHBondContact O-N 3.13Å; E118-A121 PolarHBondContact O-N 3.1Å |
| 119 | G | 58.5 | Low | 63.2 | Low | 65 Ų | 65 | 109.6 Ų | 109.6 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -20.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q115 | Q115-G119 PolarHBondContact O-N 3.39Å |
| 120 | S | 52.8 | Low | 62.2 | Low | 80 Ų | 80 | 107.8 Ų | 107.8 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -99.3 | -4.5 | 177.5 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | Q116 S117 E118 | Q116-S120 WeakPolarHBondContact O-CB 3.32Å; Q116-S120 PolarHBondContact O-N 3.48Å; Q116-S120 VanDerWaalsContact O-N 3.16Å; Q116-S120 PolarHBondContact O-OG 3Å; S117-S120 PolarHBondContact O-OG 2.92Å; E118-S120 VanDerWaalsContact C-N 3.29Å; E118-S120 PolarHBondContact O-N 3.13Å |
| 121 | A | 52.1 | Low | 61.1 | Low | 79 Ų | 79 | 108 Ų | 108 | 65% | 0.653 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 7.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117 | S117 E118 | S117-A121 WeakPolarHBondContact O-CB 3.4Å; S117-A121 PolarHBondContact O-N 3.3Å; E118-A121 PolarHBondContact O-N 3.1Å |
| 122 | P | 49.7 | Very low | 60 | Low | 106 Ų | 106 | 107.7 Ų | 107.7 | 69% | 0.688 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.3 | 60.5 | 153.8 | 39 | -25.4 | 0 | 0 | 0 | 113 | A124 | P122-A124 VanDerWaalsContact C-N 3.25Š|
| 123 | A | 53.3 | Low | 58.8 | Low | 90 Ų | 90 | 108.1 Ų | 108.1 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | trans | -95.1 | 22.8 | 151 | 0 | 0 | 0 | 0 | 0 | 111.6 | K125 | A123-K125 VanDerWaalsContact C-N 3.29Å; A123-K125 PolarHBondContact O-N 2.93Å | ||
| 124 | A | 47.6 | Very low | 57.3 | Low | 98 Ų | 98 | 109.8 Ų | 109.8 | 81% | 0.81 | 67% | 0.672 | S | S | * | * | trans | -75.7 | 82.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P122 | P122-A124 VanDerWaalsContact C-N 3.25Š| ||
| 125 | K | 45.6 | Very low | 55.9 | Low | 278 Ų | 278 | 114.5 Ų | 114.5 | 100% | 1.209 | 70% | 0.696 | S | S | * | * | trans | -129.7 | 0 | 153.5 | -81.2 | -165.4 | 177.5 | -173.5 | 0 | 108.5 | A123 | A123-K125 VanDerWaalsContact C-N 3.29Å; A123-K125 PolarHBondContact O-N 2.93Å |
Retrieved 125 of 125 residues in 63.7 ms
(Link to these results)