| 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 | 25.6 | Very low | 27 | Very low | 226 Ų | 226 | 169.4 Ų | 169.4 | 100% | 1.113 | 81% | 0.813 | S | S | * | * | 0 | 119.3 | 0 | -170.6 | -177.6 | -147.1 | 0 | 0 | 107.8 | I3 | M1-I3 HydrophobicContact CG-CG1 4.44Š| |||
| 2 | R | 22.4 | Very low | 27.5 | Very low | 229 Ų | 229 | 160.5 Ų | 160.5 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -120.5 | 112.9 | 175.6 | -169.8 | -179.6 | -85.1 | 174 | -5.8 | 106.8 | ||||
| 3 | I | 25.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 162.6 Ų | 162.6 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | trans | -92.1 | 111.6 | 176.5 | -59.5 | 172.2 | 0 | 0 | 0 | 106.2 | M1 | M1-I3 HydrophobicContact CG-CG1 4.44Š| ||
| 4 | Q | 24.5 | Very low | 27.9 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -85.6 | 121.9 | 168 | -77.8 | -178.8 | -28.9 | 0 | 0 | 108.3 | Q6 | Q4-Q6 PolarHBondContact O-N 3.02Š| ||
| 5 | K | 31.1 | Very low | 28 | Very low | 194 Ų | 194 | 162.5 Ų | 162.5 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -78.5 | 113.9 | 176.8 | -155.7 | 177.7 | -172.8 | -179.4 | 0 | 107.9 | Q7 | K5-Q7 PolarHBondContact O-N 2.94Š| ||
| 6 | Q | 27.9 | Very low | 28.2 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | -77.2 | 118.7 | 165.3 | -77.8 | -172.1 | -19.9 | 0 | 0 | 108.3 | Q4 Y8 | Q4-Q6 PolarHBondContact O-N 3.02Å; Q6-Y8 HydrophobicContact CB-CE2 4.21Å; Q6-Y8 PolarHBondContact OE1-OH 2.78Å | ||
| 7 | Q | 26.6 | Very low | 28.4 | Very low | 181 Ų | 181 | 157.9 Ų | 157.9 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -79.6 | 125.3 | 170.5 | -84.5 | 175.2 | -30.9 | 0 | 0 | 109 | K5 | K5-Q7 PolarHBondContact O-N 2.94Š| ||
| 8 | Y | 27.8 | Very low | 28.7 | Very low | 189 Ų | 189 | 153.2 Ų | 153.2 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -105.7 | 121.9 | 164.8 | -71.2 | -85.6 | 0 | 0 | 0 | 108.5 | Q6 | Q6-Y8 HydrophobicContact CB-CE2 4.21Å; Q6-Y8 PolarHBondContact OE1-OH 2.78Å | ||
| 9 | T | 26.3 | Very low | 29.1 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -90.1 | 109.8 | 172.8 | -40.8 | 0 | 0 | 0 | 0 | 108.1 | S11 | T9-S11 PolarHBondContact O-N 2.73Š| ||
| 10 | I | 30.7 | Very low | 29.5 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 63% | 0.631 | 71% | 0.705 | S | S | * | * | trans | -86.6 | 107.8 | 173.3 | -58.8 | 172.5 | 0 | 0 | 0 | 107.2 | S12 L18 | I10-S12 PolarHBondContact O-N 2.77Å; I10-L18 HydrophobicContact CD1-CD1 4.08Å | ||
| 11 | S | 28.2 | Very low | 29.9 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -87.7 | 97.6 | 175 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | T9 | T9-S11 PolarHBondContact O-N 2.73Š| ||
| 12 | S | 32.8 | Very low | 30.8 | Very low | 63 Ų | 63 | 130.7 Ų | 130.7 | 44% | 0.441 | 64% | 0.644 | S | S | . | * | trans | -152.3 | 137.5 | 157.3 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | I10 S14 | I10-S12 PolarHBondContact O-N 2.77Å; S12-S14 PolarHBondContact O-N 3.46Å; S12-S14 PolarHBondContact OG-OG 2.89Å | ||
| 13 | N | 32.2 | Very low | 31.7 | Very low | 188 Ų | 188 | 122.7 Ų | 122.7 | 100% | 1.005 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -64.3 | 22.3 | -178.4 | -91.9 | -19.8 | 0 | 0 | 0 | 114.6 | ||
| 14 | S | 29.1 | Very low | 32.6 | Very low | 69 Ų | 69 | 119.6 Ų | 119.6 | 48% | 0.483 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -108.8 | 118.6 | 177.2 | 15.1 | 0 | 0 | 0 | 0 | 108.5 | S12 I16 | S12-S14 PolarHBondContact O-N 3.46Å; S12-S14 PolarHBondContact OG-OG 2.89Å; S14-I16 PolarHBondContact O-N 3.4Å |
| 15 | R | 29.1 | Very low | 33.3 | Very low | 254 Ų | 254 | 118.1 Ų | 118.1 | 96% | 0.958 | 60% | 0.602 | S | S | * | * | trans | -65 | 84.7 | 169.7 | -70.5 | -174.9 | -178.6 | -176 | 0.9 | 109 | N17 | R15-N17 PolarHBondContact O-N 3.44Š| ||
| 16 | I | 31.1 | Very low | 33.7 | Very low | 104 Ų | 104 | 111.2 Ų | 111.2 | 53% | 0.533 | 58% | 0.576 | S | S | . | * | trans | -84.8 | 103.9 | 170.5 | -59.6 | 174.2 | 0 | 0 | 0 | 106.4 | S14 L18 | S14-I16 PolarHBondContact O-N 3.4Å; I16-L18 HydrophobicContact CG2-CD1 4.47Å; I16-L18 HydrophobicContact CG2-CG 4.02Å; I16-L18 PolarHBondContact O-N 3.48Å | ||
| 17 | N | 31.2 | Very low | 34 | Very low | 144 Ų | 144 | 110.1 Ų | 110.1 | 77% | 0.77 | 58% | 0.58 | S | S | * | * | trans | -65.3 | 90.4 | 162.6 | -87.8 | -25.1 | 0 | 0 | 0 | 107.6 | R15 L19 | R15-N17 PolarHBondContact O-N 3.44Å; N17-L19 PolarHBondContact O-N 3.4Å | ||
| 18 | L | 35 | Very low | 34.4 | Very low | 72 Ų | 72 | 105.4 Ų | 105.4 | 38% | 0.377 | 57% | 0.566 | S | S | . | * | trans | -69.5 | 92.7 | 174 | -96.6 | 146 | 0 | 0 | 0 | 108.7 | I10 I16 | I10-L18 HydrophobicContact CD1-CD1 4.08Å; I16-L18 HydrophobicContact CG2-CD1 4.47Å; I16-L18 HydrophobicContact CG2-CG 4.02Å; I16-L18 PolarHBondContact O-N 3.48Å | ||
| 19 | L | 34.9 | Very low | 34.7 | Very low | 109 Ų | 109 | 97.4 Ų | 97.4 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | trans | -89 | 115.3 | 153.7 | -166.9 | 80.7 | 0 | 0 | 0 | 106.1 | N17 L68 N70 | N17-L19 PolarHBondContact O-N 3.4Å; L19-L68 HydrophobicContact CD1-CD2 4.17Å; L19-N70 HydrophobicContact CD1-CB 4.33Å | ||
| 20 | G | 37.8 | Very low | 35.2 | Very low | 2 Ų | 2 | 99 Ų | 99 | 2% | 0.021 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F69 | G20-F69 VanDerWaalsContact C-CD1 3.49Å; G20-F69 VanDerWaalsContact CA-CE2 3.48Å; G20-F69 PolarHBondContact N-O 3.39Å; G20-F69 WeakPolarHBondContact O-CD1 3.18Å; G20-F69 WeakPolarHBondContact O-CE1 3.33Å; G20-F69 WeakPolarHBondContact O-CG 3.43Å; G20-F69 PolarHBondContact O-N 2.86Å |
| 21 | I | 38.7 | Very low | 35.3 | Very low | 55 Ų | 55 | 96 Ų | 96 | 28% | 0.282 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.2 | 176.4 | -58.6 | 174.4 | 0 | 0 | 0 | 105.4 | V23 F67 | I21-V23 HydrophobicContact CG2-CG2 3.86Å; I21-F67 CarbonylContact C-O 3.59Å; I21-F67 WeakPolarHBondContact CA-O 3.41Å |
| 22 | L | 43.5 | Very low | 35.4 | Very low | 47 Ų | 47 | 93.4 Ų | 93.4 | 25% | 0.246 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 115.9 | 167.2 | 171.7 | 73.9 | 0 | 0 | 0 | 106.3 | L24 F67 F69 V121 | L22-L24 HydrophobicContact CD1-CD2 4.09Å; L22-L24 HydrophobicContact CD2-CD1 4.39Å; L22-L24 HydrophobicContact CD2-CD2 4.08Å; L22-L24 HydrophobicContact CD2-CG 4Å; L22-L24 HydrophobicContact CG-CD2 4.15Å; L22-L24 HydrophobicContact CG-CG 4.07Å; L22-F67 HydrophobicContact CB-CB 3.88Å; L22-F67 HydrophobicContact CB-CG 4.5Å; L22-F67 HydrophobicContact CD2-CB 4.42Å; L22-F67 HydrophobicContact CD2-CD2 4.41Å; L22-F67 HydrophobicContact CD2-CG 4.3Å; L22-F67 HydrophobicContact CG-CB 4.43Å; L22-F67 HydrophobicContact CG-CD2 4.39Å; L22-F67 PolarHBondContact N-O 3.39Å; L22-F67 VanDerWaalsContact O-CB 3.32Å; L22-F67 WeakPolarHBondContact O-CB 3.4Å; L22-F67 VanDerWaalsContact O-CD2 3.3Å; L22-F67 WeakPolarHBondContact O-CD2 3.46Å; L22-F67 PolarHBondContact O-N 2.91Å; L22-F69 HydrophobicContact CB-CD1 4.14Å; L22-F69 HydrophobicContact CB-CE1 3.98Å; L22-V121 HydrophobicContact CD1-CG2 3.94Å |
| 23 | V | 42.6 | Very low | 35.2 | Very low | 62 Ų | 62 | 93.8 Ų | 93.8 | 38% | 0.376 | 50% | 0.504 | S | S | . | . | trans | -99.1 | 99.5 | 169.1 | -175.4 | 0 | 0 | 0 | 0 | 105.8 | I21 | I21-V23 HydrophobicContact CG2-CG2 3.86Š| ||
| 24 | L | 43.4 | Very low | 35.3 | Very low | 76 Ų | 76 | 91.5 Ų | 91.5 | 40% | 0.398 | 49% | 0.485 | S | S | . | . | trans | -76.6 | 135.9 | 166.4 | -67.3 | 178.5 | 0 | 0 | 0 | 107.4 | L22 V26 F67 | L22-L24 HydrophobicContact CD1-CD2 4.09Å; L22-L24 HydrophobicContact CD2-CD1 4.39Å; L22-L24 HydrophobicContact CD2-CD2 4.08Å; L22-L24 HydrophobicContact CD2-CG 4Å; L22-L24 HydrophobicContact CG-CD2 4.15Å; L22-L24 HydrophobicContact CG-CG 4.07Å; L24-V26 WeakPolarHBondContact O-CG2 2.95Å; L24-V26 PolarHBondContact O-N 2.97Å; L24-F67 HydrophobicContact CB-CD2 4.42Å; L24-F67 HydrophobicContact CB-CE2 3.79Å; L24-F67 HydrophobicContact CD1-CD2 4.27Å; L24-F67 HydrophobicContact CD1-CE1 4.37Å; L24-F67 HydrophobicContact CD1-CE2 3.5Å; L24-F67 VanDerWaalsContact CD1-CE2 3.5Å; L24-F67 HydrophobicContact CD1-CZ 3.55Å; L24-F67 HydrophobicContact CG-CD2 4.11Å; L24-F67 HydrophobicContact CG-CE2 3.66Å; L24-F67 HydrophobicContact CG-CZ 4.24Å | ||
| 25 | N | 40 | Very low | 35.5 | Very low | 141 Ų | 141 | 93.5 Ų | 93.5 | 75% | 0.754 | 49% | 0.486 | S | S | * | . | trans | -60.4 | 108.9 | 175.3 | -154.7 | -6.6 | 0 | 0 | 0 | 108.3 | V27 | N25-V27 PolarHBondContact O-N 3.03Š| ||
| 26 | V | 38.9 | Very low | 35.8 | Very low | 49 Ų | 49 | 85.9 Ų | 85.9 | 30% | 0.297 | 47% | 0.472 | S | S | . | . | trans | -77.4 | 115.6 | -175.7 | 175.9 | 0 | 0 | 0 | 0 | 107.6 | L24 C28 C63 G65 | L24-V26 WeakPolarHBondContact O-CG2 2.95Å; L24-V26 PolarHBondContact O-N 2.97Å; V26-C28 PolarHBondContact O-N 2.98Å; V26-C28 VanDerWaalsContact O-N 3.1Å; V26-C63 HydrophobicContact CB-CB 4.37Å; V26-C63 HydrophobicContact CG1-CB 3.68Å; V26-G65 VanDerWaalsContact CG2-N 3.26Å | ||
| 27 | V | 34.7 | Very low | 36.1 | Very low | 130 Ų | 130 | 88.5 Ų | 88.5 | 79% | 0.788 | 48% | 0.481 | S | S | * | . | trans | -65.9 | 112.1 | 171.2 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | N25 G29 | N25-V27 PolarHBondContact O-N 3.03Å; V27-G29 PolarHBondContact O-N 3.49Å | ||
| 28 | C | 34.5 | Very low | 36.3 | Very low | 82 Ų | 82 | 87 Ų | 87 | 55% | 0.554 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 119.5 | 173.1 | -68.2 | 0 | 0 | 0 | 0 | 109.9 | V26 C63 | V26-C28 PolarHBondContact O-N 2.98Å; V26-C28 VanDerWaalsContact O-N 3.1Å; C28-C63 WeakPolarHBondContact CA-SG 3.06Å; C28-C63 HydrophobicContact CB-CB 4.24Å; C28-C63 WeakPolarHBondContact CB-SG 3.07Å; C28-C63 WeakPolarHBondContact SG-CB 3.34Å; C28-C63 CovalentContact SG-SG 2.03Å; C28-C63 PolarHBondContact SG-SG 2.72Å |
| 29 | G | 35.1 | Very low | 36.4 | Very low | 21 Ų | 21 | 90.2 Ų | 90.2 | 22% | 0.216 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 145.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | V27 F62 | V27-G29 PolarHBondContact O-N 3.49Å; G29-F62 PolarHBondContact N-O 3.47Å; G29-F62 PolarHBondContact O-N 2.74Å |
| 30 | K | 35.5 | Very low | 36.6 | Very low | 173 Ų | 173 | 97 Ų | 97 | 75% | 0.752 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.3 | 162.6 | -74.1 | -178.2 | 179.4 | 179.6 | 0 | 107.9 | N61 | K30-N61 WeakPolarHBondContact CG-OD1 3.46Å |
| 31 | S | 33.3 | Very low | 36.4 | Very low | 60 Ų | 60 | 104.7 Ų | 104.7 | 42% | 0.42 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.9 | 165.2 | -70.1 | 0 | 0 | 0 | 0 | 109.4 | I60 F62 | S31-I60 PolarHBondContact N-O 3.1Å; S31-I60 PolarHBondContact O-N 2.93Å; S31-F62 WeakPolarHBondContact OG-CE1 3.32Å |
| 32 | S | 30.8 | Very low | 36.3 | Very low | 60 Ų | 60 | 105.2 Ų | 105.2 | 42% | 0.42 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.4 | 176 | -63 | 0 | 0 | 0 | 0 | 109.2 | L58 | S32-L58 WeakPolarHBondContact CA-O 3.39Å |
| 33 | I | 28.8 | Very low | 36.4 | Very low | 72 Ų | 72 | 112 Ų | 112 | 37% | 0.369 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.4 | 168.8 | -57.2 | -175.5 | 0 | 0 | 0 | 107.8 | F35 L58 I60 | I33-F35 HydrophobicContact CB-CE2 4.22Å; I33-F35 HydrophobicContact CG2-CD2 4.28Å; I33-F35 HydrophobicContact CG2-CE1 4.36Å; I33-F35 HydrophobicContact CG2-CE2 3.7Å; I33-F35 HydrophobicContact CG2-CZ 3.75Å; I33-L58 HydrophobicContact CB-CB 4.38Å; I33-L58 PolarHBondContact N-O 3.14Å; I33-L58 PolarHBondContact O-N 3.02Å; I33-I60 HydrophobicContact CD1-CD1 3.43Å; I33-I60 VanDerWaalsContact CD1-CD1 3.43Å; I33-I60 HydrophobicContact CD1-CG1 4.34Å; I33-I60 HydrophobicContact CG1-CD1 4.19Å |
| 34 | F | 34.3 | Very low | 36.5 | Very low | 139 Ų | 139 | 117.2 Ų | 117.2 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.4 | 177.7 | -60.9 | -89.8 | 0 | 0 | 0 | 109.5 | ||
| 35 | F | 32.5 | Very low | 36.7 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.5 | 169 | -64.1 | -84.7 | 0 | 0 | 0 | 109.4 | I33 Q56 L58 | I33-F35 HydrophobicContact CB-CE2 4.22Å; I33-F35 HydrophobicContact CG2-CD2 4.28Å; I33-F35 HydrophobicContact CG2-CE1 4.36Å; I33-F35 HydrophobicContact CG2-CE2 3.7Å; I33-F35 HydrophobicContact CG2-CZ 3.75Å; F35-Q56 PolarHBondContact N-O 3.17Å; F35-L58 HydrophobicContact CD2-CB 4.29Å; F35-L58 HydrophobicContact CE2-CB 3.73Å; F35-L58 HydrophobicContact CE2-CD2 3.87Å; F35-L58 HydrophobicContact CE2-CG 4.45Å; F35-L58 HydrophobicContact CZ-CD2 4.3Å |
| 36 | S | 36.2 | Very low | 37.1 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | trans | -87 | 114.2 | 160 | 56.4 | 0 | 0 | 0 | 0 | 107.8 | P38 | S36-P38 WeakPolarHBondContact O-CD 3.09Š| ||
| 37 | H | 36.7 | Very low | 37.5 | Very low | 158 Ų | 158 | 117.6 Ų | 117.6 | 73% | 0.731 | 67% | 0.666 | S | S | * | * | trans | -61.8 | 124.5 | 168.2 | -124.3 | -58.1 | 0 | 0 | 0 | 107.8 | Q39 | H37-Q39 PolarHBondContact O-N 3.22Š| ||
| 38 | P | 34.4 | Very low | 38.4 | Very low | 112 Ų | 112 | 116.7 Ų | 116.7 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -60.7 | 112.4 | 170 | 22.7 | -29.7 | 0 | 0 | 0 | 107.3 | S36 R40 | S36-P38 WeakPolarHBondContact O-CD 3.09Å; P38-R40 PolarHBondContact O-N 2.97Å; P38-R40 VanDerWaalsContact O-N 3.15Å | ||
| 39 | Q | 37.8 | Very low | 39.2 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 65% | 0.654 | 68% | 0.683 | S | S | * | * | trans | -52.1 | 121.7 | 175.2 | -79 | 178.8 | -28 | 0 | 0 | 108.3 | H37 L41 | H37-Q39 PolarHBondContact O-N 3.22Å; Q39-L41 PolarHBondContact O-N 2.83Å | ||
| 40 | R | 38.7 | Very low | 39.5 | Very low | 252 Ų | 252 | 123.8 Ų | 123.8 | 95% | 0.951 | 71% | 0.711 | S | S | * | * | trans | -63 | 94.4 | 159.1 | -91.7 | -175.5 | 163.7 | -170.1 | -3.3 | 107 | P38 G42 | P38-R40 PolarHBondContact O-N 2.97Å; P38-R40 VanDerWaalsContact O-N 3.15Å; R40-G42 PolarHBondContact O-N 2.93Å | ||
| 41 | L | 34.9 | Very low | 40.1 | Very low | 164 Ų | 164 | 120.6 Ų | 120.6 | 86% | 0.859 | 71% | 0.71 | S | S | * | * | trans | -65.8 | 82.9 | 162.9 | -81.1 | 159.5 | 0 | 0 | 0 | 108.3 | Q39 | Q39-L41 PolarHBondContact O-N 2.83Š| ||
| 42 | G | 37 | Very low | 40.8 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | -114.9 | 87.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | R40 | R40-G42 PolarHBondContact O-N 2.93Š| ||
| 43 | K | 45.1 | Very low | 41.3 | Very low | 190 Ų | 190 | 123 Ų | 123 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | 77.1 | 103.1 | 106.1 | -89.6 | -171.8 | 167.4 | 174.6 | 0 | 115.9 | |||||
| 44 | L | 43.9 | Very low | 41.9 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | trans | 52.6 | 94.4 | 130.7 | -76.6 | 149.5 | 0 | 0 | 0 | 118.1 | ||||
| 45 | G | 47.1 | Very low | 42.4 | Very low | 83 Ų | 83 | 125.4 Ų | 125.4 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | 141.5 | 109.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 46 | G | 48.7 | Very low | 42.4 | Very low | 61 Ų | 61 | 126.2 Ų | 126.2 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 90.6 | 97.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | S48 | G46-S48 PolarHBondContact O-N 2.97Š|
| 47 | S | 47 | Very low | 42.2 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | 47.4 | 64.2 | 130.2 | -38.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 48 | S | 54.5 | Low | 41.9 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | -161.4 | 132.7 | 154.1 | 48.2 | 0 | 0 | 0 | 0 | 110.2 | G46 G50 | G46-S48 PolarHBondContact O-N 2.97Å; S48-G50 PolarHBondContact O-N 3.47Å; S48-G50 VanDerWaalsContact O-N 3.1Å | ||
| 49 | L | 50.7 | Low | 41.8 | Very low | 175 Ų | 175 | 119.8 Ų | 119.8 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | trans | -50.1 | 116.5 | 175.4 | -83.1 | 82 | 0 | 0 | 0 | 109.6 | S51 | L49-S51 PolarHBondContact O-N 3.35Š| ||
| 50 | G | 41.6 | Very low | 41.4 | Very low | 78 Ų | 78 | 116.5 Ų | 116.5 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -64.9 | 103.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S48 T52 | S48-G50 PolarHBondContact O-N 3.47Å; S48-G50 VanDerWaalsContact O-N 3.1Å; G50-T52 PolarHBondContact O-N 2.85Å | ||
| 51 | S | 48.1 | Very low | 41.1 | Very low | 105 Ų | 105 | 109.7 Ų | 109.7 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -68.1 | 126.2 | 171.5 | 60.1 | 0 | 0 | 0 | 0 | 108.8 | L49 G53 | L49-S51 PolarHBondContact O-N 3.35Å; S51-G53 PolarHBondContact O-N 3.45Å | ||
| 52 | T | 48.8 | Very low | 41.2 | Very low | 121 Ų | 121 | 106.3 Ų | 106.3 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | trans | -54.8 | 112.3 | 167.8 | 45.9 | 0 | 0 | 0 | 0 | 108.1 | G50 | G50-T52 PolarHBondContact O-N 2.85Š| ||
| 53 | G | 41.3 | Very low | 40.9 | Very low | 51 Ų | 51 | 105.1 Ų | 105.1 | 53% | 0.526 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 140.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S51 F55 | S51-G53 PolarHBondContact O-N 3.45Å; G53-F55 PolarHBondContact O-N 3.05Å |
| 54 | P | 41.3 | Very low | 40.9 | Very low | 117 Ų | 117 | 99.2 Ų | 99.2 | 76% | 0.76 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 133.9 | -174.2 | 24.1 | -33.1 | 0 | 0 | 0 | 110.7 | Q56 | P54-Q56 PolarHBondContact O-N 3.33Š|
| 55 | F | 44.2 | Very low | 40.6 | Very low | 143 Ų | 143 | 91.4 Ų | 91.4 | 63% | 0.627 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 122 | 163.2 | -76.1 | -92.7 | 0 | 0 | 0 | 108.1 | G53 | G53-F55 PolarHBondContact O-N 3.05Š|
| 56 | Q | 32.5 | Very low | 40.3 | Very low | 128 Ų | 128 | 89 Ų | 89 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.5 | 169.4 | -70.4 | -172.4 | -6.2 | 0 | 0 | 108.3 | F35 P54 | F35-Q56 PolarHBondContact N-O 3.17Å; P54-Q56 PolarHBondContact O-N 3.33Å |
| 57 | T | 32 | Very low | 40.1 | Very low | 75 Ų | 75 | 87.4 Ų | 87.4 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110 | 174.6 | -57.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 58 | L | 30.9 | Very low | 39.7 | Very low | 85 Ų | 85 | 85 Ų | 85 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 108.8 | 168.6 | -177.5 | 69.6 | 0 | 0 | 0 | 108.2 | S32 I33 F35 I60 | S32-L58 WeakPolarHBondContact CA-O 3.39Å; I33-L58 HydrophobicContact CB-CB 4.38Å; I33-L58 PolarHBondContact N-O 3.14Å; I33-L58 PolarHBondContact O-N 3.02Å; F35-L58 HydrophobicContact CD2-CB 4.29Å; F35-L58 HydrophobicContact CE2-CB 3.73Å; F35-L58 HydrophobicContact CE2-CD2 3.87Å; F35-L58 HydrophobicContact CE2-CG 4.45Å; F35-L58 HydrophobicContact CZ-CD2 4.3Å; L58-I60 HydrophobicContact CD2-CD1 4.1Å; L58-I60 HydrophobicContact CD2-CG1 4.12Å; L58-I60 HydrophobicContact CG-CG1 4.08Å |
| 59 | S | 31.7 | Very low | 39.2 | Very low | 70 Ų | 70 | 83 Ų | 83 | 49% | 0.49 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.3 | 173.2 | -63.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 60 | I | 29.3 | Very low | 38.4 | Very low | 71 Ų | 71 | 78 Ų | 78 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 118.6 | 174.1 | -54.7 | -176.3 | 0 | 0 | 0 | 107.9 | S31 I33 L58 | S31-I60 PolarHBondContact N-O 3.1Å; S31-I60 PolarHBondContact O-N 2.93Å; I33-I60 HydrophobicContact CD1-CD1 3.43Å; I33-I60 VanDerWaalsContact CD1-CD1 3.43Å; I33-I60 HydrophobicContact CD1-CG1 4.34Å; I33-I60 HydrophobicContact CG1-CD1 4.19Å; L58-I60 HydrophobicContact CD2-CD1 4.1Å; L58-I60 HydrophobicContact CD2-CG1 4.12Å; L58-I60 HydrophobicContact CG-CG1 4.08Å |
| 61 | N | 33.1 | Very low | 38.4 | Very low | 109 Ų | 109 | 78.1 Ų | 78.1 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 117.9 | 164.9 | -63 | -42.1 | 0 | 0 | 0 | 107.1 | K30 | K30-N61 WeakPolarHBondContact CG-OD1 3.46Å |
| 62 | F | 35.8 | Very low | 37.6 | Very low | 94 Ų | 94 | 79.2 Ų | 79.2 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.2 | 168.1 | 67.4 | -87.4 | 0 | 0 | 0 | 108.7 | G29 S31 | G29-F62 PolarHBondContact N-O 3.47Å; G29-F62 PolarHBondContact O-N 2.74Å; S31-F62 WeakPolarHBondContact OG-CE1 3.32Å |
| 63 | C | 32.1 | Very low | 36.9 | Very low | 39 Ų | 39 | 79.4 Ų | 79.4 | 26% | 0.264 | 44% | 0.438 | S | S | . | . | trans | -144.4 | 137.4 | 162 | -27.3 | 0 | 0 | 0 | 0 | 103.1 | V26 C28 | V26-C63 HydrophobicContact CB-CB 4.37Å; V26-C63 HydrophobicContact CG1-CB 3.68Å; C28-C63 WeakPolarHBondContact CA-SG 3.06Å; C28-C63 HydrophobicContact CB-CB 4.24Å; C28-C63 WeakPolarHBondContact CB-SG 3.07Å; C28-C63 WeakPolarHBondContact SG-CB 3.34Å; C28-C63 CovalentContact SG-SG 2.03Å; C28-C63 PolarHBondContact SG-SG 2.72Å | ||
| 64 | I | 44 | Very low | 36.6 | Very low | 66 Ų | 66 | 82.7 Ų | 82.7 | 34% | 0.338 | 44% | 0.438 | S | S | . | . | trans | 164 | 132.8 | 130.8 | -81.7 | 147.9 | 0 | 0 | 0 | 111.3 | F95 | I64-F95 HydrophobicContact CB-CE1 4.25Å; I64-F95 HydrophobicContact CB-CE2 4.18Å; I64-F95 HydrophobicContact CB-CZ 3.85Å; I64-F95 HydrophobicContact CD1-CD1 3.87Å; I64-F95 HydrophobicContact CD1-CE1 3.06Å; I64-F95 HydrophobicContact CD1-CE2 4.48Å; I64-F95 HydrophobicContact CD1-CZ 3.47Å; I64-F95 VanDerWaalsContact CD1-CZ 3.47Å; I64-F95 HydrophobicContact CG1-CE1 3.56Å; I64-F95 HydrophobicContact CG1-CE2 4.17Å; I64-F95 HydrophobicContact CG1-CZ 3.34Å; I64-F95 HydrophobicContact CG2-CD1 4.28Å; I64-F95 HydrophobicContact CG2-CD2 3.58Å; I64-F95 HydrophobicContact CG2-CE1 3.78Å; I64-F95 HydrophobicContact CG2-CE2 2.99Å; I64-F95 HydrophobicContact CG2-CG 4.2Å; I64-F95 HydrophobicContact CG2-CZ 3.13Å | ||
| 65 | G | 37.8 | Very low | 36.1 | Very low | 8 Ų | 8 | 82 Ų | 82 | 8% | 0.082 | 43% | 0.428 | C | S | . | . | trans | -148.8 | 121.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110 | V26 | V26-G65 VanDerWaalsContact CG2-N 3.26Š| ||
| 66 | C | 40.6 | Very low | 35.5 | Very low | 32 Ų | 32 | 79.4 Ų | 79.4 | 22% | 0.216 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.8 | 170.4 | -78.6 | 0 | 0 | 0 | 0 | 108.8 | F95 | C66-F95 VanDerWaalsContact SG-CE2 3.58Å |
| 67 | F | 44.9 | Very low | 35.7 | Very low | 27 Ų | 27 | 79.2 Ų | 79.2 | 12% | 0.118 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117 | 175.8 | -59.4 | -99.8 | 0 | 0 | 0 | 108.2 | I21 L22 L24 F74 L76 | I21-F67 CarbonylContact C-O 3.59Å; I21-F67 WeakPolarHBondContact CA-O 3.41Å; L22-F67 HydrophobicContact CB-CB 3.88Å; L22-F67 HydrophobicContact CB-CG 4.5Å; L22-F67 HydrophobicContact CD2-CB 4.42Å; L22-F67 HydrophobicContact CD2-CD2 4.41Å; L22-F67 HydrophobicContact CD2-CG 4.3Å; L22-F67 HydrophobicContact CG-CB 4.43Å; L22-F67 HydrophobicContact CG-CD2 4.39Å; L22-F67 PolarHBondContact N-O 3.39Å; L22-F67 VanDerWaalsContact O-CB 3.32Å; L22-F67 WeakPolarHBondContact O-CB 3.4Å; L22-F67 VanDerWaalsContact O-CD2 3.3Å; L22-F67 WeakPolarHBondContact O-CD2 3.46Å; L22-F67 PolarHBondContact O-N 2.91Å; L24-F67 HydrophobicContact CB-CD2 4.42Å; L24-F67 HydrophobicContact CB-CE2 3.79Å; L24-F67 HydrophobicContact CD1-CD2 4.27Å; L24-F67 HydrophobicContact CD1-CE1 4.37Å; L24-F67 HydrophobicContact CD1-CE2 3.5Å; L24-F67 VanDerWaalsContact CD1-CE2 3.5Å; L24-F67 HydrophobicContact CD1-CZ 3.55Å; L24-F67 HydrophobicContact CG-CD2 4.11Å; L24-F67 HydrophobicContact CG-CE2 3.66Å; L24-F67 HydrophobicContact CG-CZ 4.24Å; F67-F74 AromaticContact CD1-CE2 3.78Å; F67-F74 HydrophobicContact CD1-CE2 3.78Å; F67-F74 AromaticContact CD1-CZ 3.64Å; F67-F74 HydrophobicContact CD1-CZ 3.64Å; F67-F74 HydrophobicContact CE1-CE2 4.43Å; F67-F74 AromaticContact CE1-CZ 3.87Å; F67-F74 HydrophobicContact CE1-CZ 3.87Å; F67-L76 HydrophobicContact CD1-CD2 4.17Å; F67-L76 HydrophobicContact CD1-CG 4.49Å; F67-L76 HydrophobicContact CE1-CD2 3.51Å; F67-L76 HydrophobicContact CE1-CG 4.2Å; F67-L76 HydrophobicContact CZ-CD2 4.2Å |
| 68 | L | 38.3 | Very low | 35.7 | Very low | 81 Ų | 81 | 82.9 Ų | 82.9 | 42% | 0.424 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.2 | 161.9 | -95.7 | 102.6 | 0 | 0 | 0 | 108.3 | L19 | L19-L68 HydrophobicContact CD1-CD2 4.17Å |
| 69 | F | 43.5 | Very low | 35.9 | Very low | 68 Ų | 68 | 81.4 Ų | 81.4 | 30% | 0.298 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.4 | 164.9 | 60.6 | -92.2 | 0 | 0 | 0 | 109.7 | G20 L22 | G20-F69 VanDerWaalsContact C-CD1 3.49Å; G20-F69 VanDerWaalsContact CA-CE2 3.48Å; G20-F69 PolarHBondContact N-O 3.39Å; G20-F69 WeakPolarHBondContact O-CD1 3.18Å; G20-F69 WeakPolarHBondContact O-CE1 3.33Å; G20-F69 WeakPolarHBondContact O-CG 3.43Å; G20-F69 PolarHBondContact O-N 2.86Å; L22-F69 HydrophobicContact CB-CD1 4.14Å; L22-F69 HydrophobicContact CB-CE1 3.98Å |
| 70 | N | 34.7 | Very low | 35.7 | Very low | 71 Ų | 71 | 85.2 Ų | 85.2 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | trans | -113.7 | 174.6 | 163 | 70 | 31.5 | 0 | 0 | 0 | 108.6 | L19 N72 H73 | L19-N70 HydrophobicContact CD1-CB 4.33Å; N70-N72 PolarHBondContact O-N 3.22Å; N70-N72 PolarHBondContact OD1-N 2.04Å; N70-H73 PolarHBondContact N-O 2.76Å; N70-H73 PolarHBondContact OD1-N 3.08Å; N70-H73 PolarHBondContact OD1-O 3.32Å | ||
| 71 | S | 40.7 | Very low | 35.9 | Very low | 79 Ų | 79 | 86.3 Ų | 86.3 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -59.4 | -16 | -177.7 | 46.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 72 | N | 31.9 | Very low | 35.9 | Very low | 128 Ų | 128 | 86 Ų | 86 | 68% | 0.684 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -125 | -15.4 | -168.7 | -65.9 | -23.4 | 0 | 0 | 0 | 114.8 | N70 | N70-N72 PolarHBondContact O-N 3.22Å; N70-N72 PolarHBondContact OD1-N 2.04Å |
| 73 | H | 34.2 | Very low | 35.7 | Very low | 125 Ų | 125 | 86.8 Ų | 86.8 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | trans | -148.8 | 149 | -171.1 | -64.9 | -78.1 | 0 | 0 | 0 | 112.9 | N70 | N70-H73 PolarHBondContact N-O 2.76Å; N70-H73 PolarHBondContact OD1-N 3.08Å; N70-H73 PolarHBondContact OD1-O 3.32Å | ||
| 74 | F | 34.5 | Very low | 35.6 | Very low | 121 Ų | 121 | 89.9 Ų | 89.9 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 104 | 175 | 177 | -100.3 | 0 | 0 | 0 | 107.8 | F67 L76 | F67-F74 AromaticContact CD1-CE2 3.78Å; F67-F74 HydrophobicContact CD1-CE2 3.78Å; F67-F74 AromaticContact CD1-CZ 3.64Å; F67-F74 HydrophobicContact CD1-CZ 3.64Å; F67-F74 HydrophobicContact CE1-CE2 4.43Å; F67-F74 AromaticContact CE1-CZ 3.87Å; F67-F74 HydrophobicContact CE1-CZ 3.87Å; F74-L76 HydrophobicContact CD1-CD1 4.26Å; F74-L76 HydrophobicContact CE1-CD1 3.45Å; F74-L76 VanDerWaalsContact CE1-CD1 3.45Å; F74-L76 HydrophobicContact CE1-CG 3.72Å; F74-L76 HydrophobicContact CZ-CD1 4.21Å; F74-L76 HydrophobicContact CZ-CG 4.14Å |
| 75 | D | 32.3 | Very low | 35 | Very low | 101 Ų | 101 | 91.4 Ų | 91.4 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.4 | 178.5 | -72.4 | -28.2 | 0 | 0 | 0 | 110.3 | ||
| 76 | L | 30.7 | Very low | 34.6 | Very low | 89 Ų | 89 | 98.2 Ų | 98.2 | 47% | 0.466 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 106.3 | 171.4 | -92.6 | 147.6 | 0 | 0 | 0 | 108.7 | F67 F74 F78 | F67-L76 HydrophobicContact CD1-CD2 4.17Å; F67-L76 HydrophobicContact CD1-CG 4.49Å; F67-L76 HydrophobicContact CE1-CD2 3.51Å; F67-L76 HydrophobicContact CE1-CG 4.2Å; F67-L76 HydrophobicContact CZ-CD2 4.2Å; F74-L76 HydrophobicContact CD1-CD1 4.26Å; F74-L76 HydrophobicContact CE1-CD1 3.45Å; F74-L76 VanDerWaalsContact CE1-CD1 3.45Å; F74-L76 HydrophobicContact CE1-CG 3.72Å; F74-L76 HydrophobicContact CZ-CD1 4.21Å; F74-L76 HydrophobicContact CZ-CG 4.14Å; L76-F78 HydrophobicContact CB-CE2 4.34Å; L76-F78 HydrophobicContact CD2-CD2 4.31Å; L76-F78 HydrophobicContact CD2-CE1 4.48Å; L76-F78 HydrophobicContact CD2-CE2 3.43Å; L76-F78 VanDerWaalsContact CD2-CE2 3.43Å; L76-F78 HydrophobicContact CD2-CZ 3.51Å; L76-F78 HydrophobicContact CG-CE2 4.42Å |
| 77 | L | 36.4 | Very low | 34.1 | Very low | 124 Ų | 124 | 104.7 Ų | 104.7 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.7 | 104.3 | 169.9 | -78.1 | 158.6 | 0 | 0 | 0 | 109.2 | ||
| 78 | F | 32.2 | Very low | 33.6 | Very low | 152 Ų | 152 | 108.2 Ų | 108.2 | 67% | 0.667 | 61% | 0.61 | S | S | * | * | trans | -96.5 | 114.3 | 164.2 | -65.3 | -77.2 | 0 | 0 | 0 | 108.5 | L76 | L76-F78 HydrophobicContact CB-CE2 4.34Å; L76-F78 HydrophobicContact CD2-CD2 4.31Å; L76-F78 HydrophobicContact CD2-CE1 4.48Å; L76-F78 HydrophobicContact CD2-CE2 3.43Å; L76-F78 VanDerWaalsContact CD2-CE2 3.43Å; L76-F78 HydrophobicContact CD2-CZ 3.51Å; L76-F78 HydrophobicContact CG-CE2 4.42Å | ||
| 79 | S | 34.8 | Very low | 33.5 | Very low | 55 Ų | 55 | 110.9 Ų | 110.9 | 39% | 0.385 | 62% | 0.622 | S | S | . | * | trans | -105.7 | 106.2 | 167.8 | 57 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 80 | L | 29 | Very low | 33.6 | Very low | 149 Ų | 149 | 109.5 Ų | 109.5 | 78% | 0.78 | 62% | 0.621 | S | S | * | * | trans | -69.2 | 134.4 | 165.5 | -74.7 | 157.6 | 0 | 0 | 0 | 108.2 | S82 | L80-S82 PolarHBondContact O-N 2.93Š| ||
| 81 | P | 32.4 | Very low | 33.7 | Very low | 94 Ų | 94 | 110.6 Ų | 110.6 | 61% | 0.61 | 63% | 0.63 | S | S | * | * | trans | -65.5 | 101.6 | 169.2 | 25.1 | -29.4 | 0 | 0 | 0 | 108.2 | S83 | P81-S83 PolarHBondContact O-N 3.38Å; P81-S83 VanDerWaalsContact O-N 3.08Å | ||
| 82 | S | 33.6 | Very low | 33.6 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | trans | -67.9 | 105.8 | 167.9 | 52.3 | 0 | 0 | 0 | 0 | 107.5 | L80 S84 | L80-S82 PolarHBondContact O-N 2.93Å; S82-S84 PolarHBondContact O-N 3.2Å | ||
| 83 | S | 31.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 110.4 Ų | 110.4 | 76% | 0.762 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -47.9 | 129.7 | 160.9 | 48.1 | 0 | 0 | 0 | 0 | 108.7 | P81 | P81-S83 PolarHBondContact O-N 3.38Å; P81-S83 VanDerWaalsContact O-N 3.08Å |
| 84 | S | 30.2 | Very low | 34.6 | Very low | 104 Ų | 104 | 111 Ų | 111 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 94.4 | 113.4 | 175.1 | 73 | 0 | 0 | 0 | 0 | 118.5 | S82 | S82-S84 PolarHBondContact O-N 3.2Š|
| 85 | S | 31.4 | Very low | 35 | Very low | 98 Ų | 98 | 106.6 Ų | 106.6 | 69% | 0.685 | 60% | 0.6 | S | S | * | * | trans | 75.5 | 102.3 | 145.6 | 57.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 86 | I | 27.9 | Very low | 35.6 | Very low | 152 Ų | 152 | 105 Ų | 105 | 78% | 0.779 | 60% | 0.596 | S | S | * | * | 67.8 | 124.7 | 112.1 | -62.6 | 158.1 | 0 | 0 | 0 | 118.5 | |||||
| 87 | L | 30.1 | Very low | 36.5 | Very low | 168 Ų | 168 | 104.1 Ų | 104.1 | 88% | 0.88 | 60% | 0.597 | S | S | * | * | trans | 75.6 | 64.5 | 161.5 | -69.6 | 159.8 | 0 | 0 | 0 | 118.5 | ||||
| 88 | S | 36 | Very low | 36.9 | Very low | 101 Ų | 101 | 100.1 Ų | 100.1 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -166 | 142.9 | 142.3 | 54 | 0 | 0 | 0 | 0 | 105.6 | S90 | S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 WeakPolarHBondContact O-CA 3.04Å; S88-S90 PolarHBondContact O-N 3.34Å |
| 89 | M | 35.9 | Very low | 37.6 | Very low | 137 Ų | 137 | 96.7 Ų | 96.7 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | trans | -55.4 | 103.9 | -177.7 | -150.9 | -177.3 | 103.9 | 0 | 0 | 107.9 | E93 K94 | M89-E93 VanDerWaalsContact C-OE2 3.31Å; M89-E93 WeakPolarHBondContact CA-OE2 3.3Å; M89-E93 HydrophobicContact CG-CB 4.37Å; M89-E93 WeakPolarHBondContact CG-OE2 3.37Å; M89-K94 HydrophobicContact CE-CG 4.25Å | ||
| 90 | S | 45.4 | Very low | 38.3 | Very low | 38 Ų | 38 | 97.4 Ų | 97.4 | 27% | 0.266 | 57% | 0.567 | S | S | . | * | trans | -72.1 | 149.4 | -148.8 | 56.4 | 0 | 0 | 0 | 0 | 108 | S88 L92 E93 K94 | S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 WeakPolarHBondContact O-CA 3.04Å; S88-S90 PolarHBondContact O-N 3.34Å; S90-L92 CarbonylContact O-C 3.53Å; S90-L92 PolarHBondContact O-N 2.82Å; S90-L92 WeakPolarHBondContact OG-CB 3.4Å; S90-E93 PolarHBondContact N-OE2 3.01Å; S90-E93 WeakPolarHBondContact O-CA 3.34Å; S90-E93 WeakPolarHBondContact O-CB 3.46Å; S90-E93 PolarHBondContact O-N 3.39Å; S90-E93 PolarHBondContact OG-N 3.04Å; S90-E93 VanDerWaalsContact OG-N 3.14Å; S90-K94 PolarHBondContact O-N 3.37Å; S90-K94 VanDerWaalsContact O-N 3.1Å | ||
| 91 | V | 36 | Very low | 39.1 | Very low | 95 Ų | 95 | 93.5 Ų | 93.5 | 58% | 0.576 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -49.4 | -30.7 | 169.8 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | K94 F95 | V91-K94 PolarHBondContact O-N 3.46Å; V91-F95 WeakPolarHBondContact O-CB 3.27Å; V91-F95 PolarHBondContact O-N 2.79Å |
| 92 | L | 39.1 | Very low | 39.6 | Very low | 100 Ų | 100 | 91.4 Ų | 91.4 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 168.6 | -173.2 | 71.3 | 0 | 0 | 0 | 114.5 | S90 F95 C96 | S90-L92 CarbonylContact O-C 3.53Å; S90-L92 PolarHBondContact O-N 2.82Å; S90-L92 WeakPolarHBondContact OG-CB 3.4Å; L92-F95 CarbonylContact O-C 3.6Å; L92-F95 WeakPolarHBondContact O-CB 3.5Å; L92-F95 PolarHBondContact O-N 3.33Å; L92-C96 WeakPolarHBondContact O-CB 3.12Å; L92-C96 PolarHBondContact O-N 3.41Å; L92-C96 PolarHBondContact O-SG 2.03Å |
| 93 | E | 43.2 | Very low | 40 | Very low | 102 Ų | 102 | 90.3 Ų | 90.3 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -41 | 173.9 | -78 | 172.3 | 149.3 | 0 | 0 | 112.6 | M89 S90 F95 C96 S97 | M89-E93 VanDerWaalsContact C-OE2 3.31Å; M89-E93 WeakPolarHBondContact CA-OE2 3.3Å; M89-E93 HydrophobicContact CG-CB 4.37Å; M89-E93 WeakPolarHBondContact CG-OE2 3.37Å; S90-E93 PolarHBondContact N-OE2 3.01Å; S90-E93 WeakPolarHBondContact O-CA 3.34Å; S90-E93 WeakPolarHBondContact O-CB 3.46Å; S90-E93 PolarHBondContact O-N 3.39Å; S90-E93 PolarHBondContact OG-N 3.04Å; S90-E93 VanDerWaalsContact OG-N 3.14Å; E93-F95 VanDerWaalsContact C-N 3.26Å; E93-F95 PolarHBondContact O-N 3.11Å; E93-C96 PolarHBondContact O-N 3.1Å; E93-S97 WeakPolarHBondContact O-CB 3.32Å; E93-S97 PolarHBondContact O-N 3.19Å |
| 94 | K | 43.3 | Very low | 40.5 | Very low | 139 Ų | 139 | 93.8 Ų | 93.8 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -38.2 | 173.2 | -71.8 | -177.8 | -179.7 | 177.2 | 0 | 111 | M89 S90 V91 C98 | M89-K94 HydrophobicContact CE-CG 4.25Å; S90-K94 PolarHBondContact O-N 3.37Å; S90-K94 VanDerWaalsContact O-N 3.1Å; V91-K94 PolarHBondContact O-N 3.46Å; K94-C98 WeakPolarHBondContact O-CB 3.46Å; K94-C98 PolarHBondContact O-N 3.1Å |
| 95 | F | 44.1 | Very low | 40.7 | Very low | 28 Ų | 28 | 91.5 Ų | 91.5 | 12% | 0.123 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 176.4 | -177.1 | -92.6 | 0 | 0 | 0 | 112.1 | I64 C66 V91 L92 E93 C98 I99 | I64-F95 HydrophobicContact CB-CE1 4.25Å; I64-F95 HydrophobicContact CB-CE2 4.18Å; I64-F95 HydrophobicContact CB-CZ 3.85Å; I64-F95 HydrophobicContact CD1-CD1 3.87Å; I64-F95 HydrophobicContact CD1-CE1 3.06Å; I64-F95 HydrophobicContact CD1-CE2 4.48Å; I64-F95 HydrophobicContact CD1-CZ 3.47Å; I64-F95 VanDerWaalsContact CD1-CZ 3.47Å; I64-F95 HydrophobicContact CG1-CE1 3.56Å; I64-F95 HydrophobicContact CG1-CE2 4.17Å; I64-F95 HydrophobicContact CG1-CZ 3.34Å; I64-F95 HydrophobicContact CG2-CD1 4.28Å; I64-F95 HydrophobicContact CG2-CD2 3.58Å; I64-F95 HydrophobicContact CG2-CE1 3.78Å; I64-F95 HydrophobicContact CG2-CE2 2.99Å; I64-F95 HydrophobicContact CG2-CG 4.2Å; I64-F95 HydrophobicContact CG2-CZ 3.13Å; C66-F95 VanDerWaalsContact SG-CE2 3.58Å; V91-F95 WeakPolarHBondContact O-CB 3.27Å; V91-F95 PolarHBondContact O-N 2.79Å; L92-F95 CarbonylContact O-C 3.6Å; L92-F95 WeakPolarHBondContact O-CB 3.5Å; L92-F95 PolarHBondContact O-N 3.33Å; E93-F95 VanDerWaalsContact C-N 3.26Å; E93-F95 PolarHBondContact O-N 3.11Å; F95-C98 WeakPolarHBondContact O-CB 2.96Å; F95-C98 PolarHBondContact O-N 3.48Å; F95-I99 HydrophobicContact CD1-CD1 4.21Å; F95-I99 HydrophobicContact CD1-CG1 4.46Å; F95-I99 HydrophobicContact CE1-CD1 3.19Å; F95-I99 HydrophobicContact CE1-CG1 3.69Å; F95-I99 HydrophobicContact CZ-CD1 3.46Å; F95-I99 VanDerWaalsContact CZ-CD1 3.46Å; F95-I99 HydrophobicContact CZ-CG1 3.71Å; F95-I99 PolarHBondContact O-N 3.28Å |
| 96 | C | 44.1 | Very low | 40.9 | Very low | 66 Ų | 66 | 89 Ų | 89 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 175.5 | -72.3 | 0 | 0 | 0 | 0 | 112.3 | L92 E93 C98 I99 D100 | L92-C96 WeakPolarHBondContact O-CB 3.12Å; L92-C96 PolarHBondContact O-N 3.41Å; L92-C96 PolarHBondContact O-SG 2.03Å; E93-C96 PolarHBondContact O-N 3.1Å; C96-C98 VanDerWaalsContact C-N 3.29Å; C96-C98 PolarHBondContact O-N 2.94Å; C96-I99 PolarHBondContact O-N 2.68Å; C96-D100 VanDerWaalsContact O-CB 3.27Å; C96-D100 WeakPolarHBondContact O-CB 3.34Å; C96-D100 PolarHBondContact O-N 2.96Å |
| 97 | S | 50.4 | Low | 41.4 | Very low | 71 Ų | 71 | 86.8 Ų | 86.8 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | E93 S101 | E93-S97 WeakPolarHBondContact O-CB 3.32Å; E93-S97 PolarHBondContact O-N 3.19Å; S97-S101 WeakPolarHBondContact O-CB 3.11Å; S97-S101 PolarHBondContact O-N 2.88Å; S97-S101 PolarHBondContact O-OG 3.31Å |
| 98 | C | 43.3 | Very low | 41.8 | Very low | 41 Ų | 41 | 83.8 Ų | 83.8 | 28% | 0.277 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.7 | -47.7 | 173.8 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | K94 F95 C96 S101 V102 | K94-C98 WeakPolarHBondContact O-CB 3.46Å; K94-C98 PolarHBondContact O-N 3.1Å; F95-C98 WeakPolarHBondContact O-CB 2.96Å; F95-C98 PolarHBondContact O-N 3.48Å; C96-C98 VanDerWaalsContact C-N 3.29Å; C96-C98 PolarHBondContact O-N 2.94Å; C98-S101 PolarHBondContact O-N 3.49Å; C98-V102 WeakPolarHBondContact O-CG2 3.33Å; C98-V102 PolarHBondContact O-N 3.22Å |
| 99 | I | 48.6 | Very low | 41.7 | Very low | 80 Ų | 80 | 83.8 Ų | 83.8 | 41% | 0.41 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 173.5 | -72.7 | -167.1 | 0 | 0 | 0 | 111.3 | F95 C96 S101 V102 T103 | F95-I99 HydrophobicContact CD1-CD1 4.21Å; F95-I99 HydrophobicContact CD1-CG1 4.46Å; F95-I99 HydrophobicContact CE1-CD1 3.19Å; F95-I99 HydrophobicContact CE1-CG1 3.69Å; F95-I99 HydrophobicContact CZ-CD1 3.46Å; F95-I99 VanDerWaalsContact CZ-CD1 3.46Å; F95-I99 HydrophobicContact CZ-CG1 3.71Å; F95-I99 PolarHBondContact O-N 3.28Å; C96-I99 PolarHBondContact O-N 2.68Å; I99-S101 VanDerWaalsContact C-N 3.29Å; I99-S101 PolarHBondContact O-N 2.7Å; I99-V102 PolarHBondContact O-N 2.8Å; I99-T103 WeakPolarHBondContact O-CB 3.2Å; I99-T103 PolarHBondContact O-N 3.15Å; I99-T103 PolarHBondContact O-OG1 3.29Å |
| 100 | D | 48.4 | Very low | 41.6 | Very low | 69 Ų | 69 | 81.2 Ų | 81.2 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | -179.7 | -173.3 | 33.6 | 0 | 0 | 0 | 110.7 | C96 V102 T103 R104 | C96-D100 VanDerWaalsContact O-CB 3.27Å; C96-D100 WeakPolarHBondContact O-CB 3.34Å; C96-D100 PolarHBondContact O-N 2.96Å; D100-V102 PolarHBondContact O-N 3.1Å; D100-T103 PolarHBondContact O-N 3.35Å; D100-R104 VanDerWaalsContact CG-NE 3.27Å; D100-R104 VanDerWaalsContact O-CB 3.29Å; D100-R104 WeakPolarHBondContact O-CB 3.29Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.26Å; D100-R104 IonicContact OD1-CZ 3.65Å; D100-R104 IonicContact OD1-NE 2.9Å; D100-R104 PolarHBondContact OD1-NE 3.41Å; D100-R104 IonicContact OD1-NH2 3.54Å; D100-R104 IonicContact OD2-CZ 3.14Å; D100-R104 IonicContact OD2-NE 3.1Å; D100-R104 PolarHBondContact OD2-NE 3.18Å; D100-R104 VanDerWaalsContact OD2-NE 3.1Å; D100-R104 IonicContact OD2-NH2 2.7Å; D100-R104 PolarHBondContact OD2-NH2 3.07Å |
| 101 | S | 45.8 | Very low | 40.9 | Very low | 67 Ų | 67 | 87 Ų | 87 | 47% | 0.469 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174.9 | -59 | 0 | 0 | 0 | 0 | 113 | S97 C98 I99 C105 | S97-S101 WeakPolarHBondContact O-CB 3.11Å; S97-S101 PolarHBondContact O-N 2.88Å; S97-S101 PolarHBondContact O-OG 3.31Å; C98-S101 PolarHBondContact O-N 3.49Å; I99-S101 VanDerWaalsContact C-N 3.29Å; I99-S101 PolarHBondContact O-N 2.7Å; S101-C105 WeakPolarHBondContact O-CB 3.46Å; S101-C105 PolarHBondContact O-N 3.09Å |
| 102 | V | 42.8 | Very low | 40.5 | Very low | 51 Ų | 51 | 90 Ų | 90 | 31% | 0.309 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | C98 I99 D100 C105 C106 V122 | C98-V102 WeakPolarHBondContact O-CG2 3.33Å; C98-V102 PolarHBondContact O-N 3.22Å; I99-V102 PolarHBondContact O-N 2.8Å; D100-V102 PolarHBondContact O-N 3.1Å; V102-C105 PolarHBondContact O-N 2.9Å; V102-C106 PolarHBondContact O-N 2.84Å; V102-V122 HydrophobicContact CG1-CG2 4.42Å |
| 103 | T | 41.3 | Very low | 40.1 | Very low | 81 Ų | 81 | 90.3 Ų | 90.3 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -37.8 | -178.7 | -47.5 | 0 | 0 | 0 | 0 | 111.2 | I99 D100 C106 | I99-T103 WeakPolarHBondContact O-CB 3.2Å; I99-T103 PolarHBondContact O-N 3.15Å; I99-T103 PolarHBondContact O-OG1 3.29Å; D100-T103 PolarHBondContact O-N 3.35Å; T103-C106 CarbonylContact O-C 3.38Å; T103-C106 PolarHBondContact O-N 3.23Å |
| 104 | R | 42.5 | Very low | 39.4 | Very low | 182 Ų | 182 | 91.9 Ų | 91.9 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.8 | -31.6 | 171.2 | -71.6 | 177.4 | -167 | -156.9 | 7.7 | 113.3 | D100 | D100-R104 VanDerWaalsContact CG-NE 3.27Å; D100-R104 VanDerWaalsContact O-CB 3.29Å; D100-R104 WeakPolarHBondContact O-CB 3.29Å; D100-R104 WeakPolarHBondContact O-CG 3.39Å; D100-R104 PolarHBondContact O-N 3.26Å; D100-R104 IonicContact OD1-CZ 3.65Å; D100-R104 IonicContact OD1-NE 2.9Å; D100-R104 PolarHBondContact OD1-NE 3.41Å; D100-R104 IonicContact OD1-NH2 3.54Å; D100-R104 IonicContact OD2-CZ 3.14Å; D100-R104 IonicContact OD2-NE 3.1Å; D100-R104 PolarHBondContact OD2-NE 3.18Å; D100-R104 VanDerWaalsContact OD2-NE 3.1Å; D100-R104 IonicContact OD2-NH2 2.7Å; D100-R104 PolarHBondContact OD2-NH2 3.07Å |
| 105 | C | 35.1 | Very low | 38.7 | Very low | 56 Ų | 56 | 89.4 Ų | 89.4 | 38% | 0.378 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78.4 | -22 | 175.6 | -89.1 | 0 | 0 | 0 | 0 | 113.7 | S101 V102 P107 C129 | S101-C105 WeakPolarHBondContact O-CB 3.46Å; S101-C105 PolarHBondContact O-N 3.09Å; V102-C105 PolarHBondContact O-N 2.9Å; C105-P107 VanDerWaalsContact C-CD 3.46Å; C105-C129 HydrophobicContact CB-CB 3.66Å; C105-C129 WeakPolarHBondContact CB-SG 3.31Å; C105-C129 WeakPolarHBondContact SG-CB 3.37Å; C105-C129 CovalentContact SG-SG 2.04Å; C105-C129 PolarHBondContact SG-SG 2.94Å |
| 106 | C | 36.6 | Very low | 37.8 | Very low | 44 Ų | 44 | 92.3 Ų | 92.3 | 30% | 0.297 | 56% | 0.559 | S | S | . | * | trans | -133.1 | 59.4 | -178.6 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | V102 T103 S108 | V102-C106 PolarHBondContact O-N 2.84Å; T103-C106 CarbonylContact O-C 3.38Å; T103-C106 PolarHBondContact O-N 3.23Å; C106-S108 PolarHBondContact O-N 3.29Å | ||
| 107 | P | 38.2 | Very low | 37.1 | Very low | 107 Ų | 107 | 94.7 Ų | 94.7 | 70% | 0.695 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -2.3 | -174.6 | 29 | -35 | 0 | 0 | 0 | 114.1 | C105 | C105-P107 VanDerWaalsContact C-CD 3.46Š|
| 108 | S | 37.3 | Very low | 36.1 | Very low | 105 Ų | 105 | 94.1 Ų | 94.1 | 73% | 0.734 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 20.2 | -159.5 | 53.1 | 0 | 0 | 0 | 0 | 116.1 | C106 | C106-S108 PolarHBondContact O-N 3.29Š|
| 109 | Q | 34.9 | Very low | 35.6 | Very low | 101 Ų | 101 | 94.1 Ų | 94.1 | 47% | 0.472 | 57% | 0.571 | S | S | . | * | trans | -98.6 | 93.1 | 170.8 | -66.1 | -162.5 | 0.4 | 0 | 0 | 111.2 | L111 H120 | Q109-L111 PolarHBondContact O-N 3.04Å; Q109-H120 PolarHBondContact OE1-CD2 2.96Å; Q109-H120 VanDerWaalsContact OE1-CD2 3.26Å; Q109-H120 PolarHBondContact OE1-NE2 3.34Å | ||
| 110 | S | 33 | Very low | 35 | Very low | 82 Ų | 82 | 93.8 Ų | 93.8 | 57% | 0.573 | 57% | 0.568 | S | S | * | * | trans | -57 | 107.7 | 163.5 | 134.7 | 0 | 0 | 0 | 0 | 108.1 | E112 | S110-E112 PolarHBondContact O-N 2.84Å; S110-E112 VanDerWaalsContact O-N 3.11Å; S110-E112 WeakPolarHBondContact OG-CB 3.48Å; S110-E112 VanDerWaalsContact OG-CG 3.31Å; S110-E112 WeakPolarHBondContact OG-CG 3.49Å; S110-E112 PolarHBondContact OG-OE2 3.05Å | ||
| 111 | L | 31 | Very low | 34.3 | Very low | 161 Ų | 161 | 91.6 Ų | 91.6 | 84% | 0.843 | 56% | 0.556 | S | S | * | * | trans | -81.5 | 55.4 | 172.1 | -80.8 | 153.3 | 0 | 0 | 0 | 108.9 | Q109 | Q109-L111 PolarHBondContact O-N 3.04Š| ||
| 112 | E | 27.3 | Very low | 33.7 | Very low | 157 Ų | 157 | 89.7 Ų | 89.7 | 73% | 0.734 | 54% | 0.542 | S | S | * | . | trans | -98.8 | 10.4 | -172.8 | -75.8 | -175.8 | 141 | 0 | 0 | 115 | S110 P114 | S110-E112 PolarHBondContact O-N 2.84Å; S110-E112 VanDerWaalsContact O-N 3.11Å; S110-E112 WeakPolarHBondContact OG-CB 3.48Å; S110-E112 VanDerWaalsContact OG-CG 3.31Å; S110-E112 WeakPolarHBondContact OG-CG 3.49Å; S110-E112 PolarHBondContact OG-OE2 3.05Å; E112-P114 WeakPolarHBondContact O-CD 3.36Å | ||
| 113 | T | 30.6 | Very low | 33.1 | Very low | 107 Ų | 107 | 88.4 Ų | 88.4 | 66% | 0.656 | 53% | 0.533 | S | S | * | . | trans | -116.9 | 93.7 | 173 | 29.6 | 0 | 0 | 0 | 0 | 112.1 | G115 | T113-G115 PolarHBondContact O-N 3.44Š| ||
| 114 | P | 28.2 | Very low | 32.5 | Very low | 135 Ų | 135 | 87.9 Ų | 87.9 | 88% | 0.877 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 120.9 | 161.9 | -2.8 | 13.5 | 0 | 0 | 0 | 108.1 | E112 | E112-P114 WeakPolarHBondContact O-CD 3.36Š|
| 115 | G | 29 | Very low | 31.8 | Very low | 86 Ų | 86 | 84 Ų | 84 | 89% | 0.887 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.8 | -5.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | T113 | T113-G115 PolarHBondContact O-N 3.44Š|
| 116 | S | 26.4 | Very low | 31.5 | Very low | 89 Ų | 89 | 86.4 Ų | 86.4 | 62% | 0.622 | 55% | 0.547 | S | S | * | . | trans | -120 | 98.7 | 169.5 | -165.8 | 0 | 0 | 0 | 0 | 110 | A118 | S116-A118 PolarHBondContact O-N 2.96Å; S116-A118 VanDerWaalsContact O-N 3.09Å | ||
| 117 | V | 27.9 | Very low | 31.2 | Very low | 116 Ų | 116 | 90.5 Ų | 90.5 | 70% | 0.703 | 58% | 0.576 | S | S | * | * | trans | -82.9 | 83.5 | 177.9 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | S119 | V117-S119 PolarHBondContact O-N 3.3Š| ||
| 118 | A | 29.2 | Very low | 30.9 | Very low | 59 Ų | 59 | 92.8 Ų | 92.8 | 49% | 0.488 | 58% | 0.575 | S | S | . | * | trans | -78.3 | 103.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | S116 H120 | S116-A118 PolarHBondContact O-N 2.96Å; S116-A118 VanDerWaalsContact O-N 3.09Å; A118-H120 PolarHBondContact O-CD2 2.91Å; A118-H120 VanDerWaalsContact O-CD2 3.29Å; A118-H120 PolarHBondContact O-N 2.84Å; A118-H120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | S | 33.8 | Very low | 30.7 | Very low | 41 Ų | 41 | 90.2 Ų | 90.2 | 29% | 0.287 | 56% | 0.556 | S | S | . | * | trans | -73.4 | 97.6 | 171.8 | 26.9 | 0 | 0 | 0 | 0 | 109.6 | V117 | V117-S119 PolarHBondContact O-N 3.3Š| ||
| 120 | H | 34.9 | Very low | 30.6 | Very low | 74 Ų | 74 | 89 Ų | 89 | 34% | 0.343 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 121.7 | 172.9 | -65.1 | -73.6 | 0 | 0 | 0 | 109.9 | Q109 A118 | Q109-H120 PolarHBondContact OE1-CD2 2.96Å; Q109-H120 VanDerWaalsContact OE1-CD2 3.26Å; Q109-H120 PolarHBondContact OE1-NE2 3.34Å; A118-H120 PolarHBondContact O-CD2 2.91Å; A118-H120 VanDerWaalsContact O-CD2 3.29Å; A118-H120 PolarHBondContact O-N 2.84Å; A118-H120 VanDerWaalsContact O-N 3.11Å |
| 121 | V | 34.3 | Very low | 30.7 | Very low | 22 Ų | 22 | 89.9 Ų | 89.9 | 13% | 0.133 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 113 | 169.9 | 173.4 | 0 | 0 | 0 | 0 | 106.7 | L22 L123 F134 | L22-V121 HydrophobicContact CD1-CG2 3.94Å; V121-L123 PolarHBondContact O-N 3.07Å; V121-F134 HydrophobicContact CB-CD2 3.73Å; V121-F134 HydrophobicContact CB-CE2 3.56Å; V121-F134 HydrophobicContact CG1-CD2 4.46Å; V121-F134 HydrophobicContact CG1-CE2 3.83Å; V121-F134 HydrophobicContact CG2-CD2 3.86Å; V121-F134 HydrophobicContact CG2-CE2 4.06Å |
| 122 | V | 33.4 | Very low | 30.7 | Very low | 28 Ų | 28 | 85.4 Ų | 85.4 | 17% | 0.17 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 107.7 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | V102 A124 | V102-V122 HydrophobicContact CG1-CG2 4.42Å; V122-A124 PolarHBondContact O-N 3.11Å |
| 123 | L | 29.6 | Very low | 30.9 | Very low | 23 Ų | 23 | 85.8 Ų | 85.8 | 12% | 0.12 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 98.5 | 166.3 | -88.3 | 142.7 | 0 | 0 | 0 | 108.5 | V121 L125 I132 F134 | V121-L123 PolarHBondContact O-N 3.07Å; L123-L125 PolarHBondContact O-N 3.38Å; L123-L125 VanDerWaalsContact O-N 3.17Å; L123-I132 HydrophobicContact CB-CD1 4.45Å; L123-I132 HydrophobicContact CB-CG1 4.4Å; L123-I132 HydrophobicContact CD1-CB 4.18Å; L123-I132 HydrophobicContact CD1-CD1 3.23Å; L123-I132 HydrophobicContact CD1-CG1 3.71Å; L123-I132 HydrophobicContact CG-CD1 4.42Å; L123-F134 HydrophobicContact CD1-CZ 4.4Å |
| 124 | A | 30 | Very low | 31 | Very low | 70 Ų | 70 | 85.6 Ų | 85.6 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 89.2 | 166 | 0 | 0 | 0 | 0 | 0 | 108.6 | V122 | V122-A124 PolarHBondContact O-N 3.11Å |
| 125 | L | 27.1 | Very low | 31.2 | Very low | 100 Ų | 100 | 87.5 Ų | 87.5 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 141.9 | 164 | -70.8 | 163.8 | 0 | 0 | 0 | 107.8 | L123 S127 K128 | L123-L125 PolarHBondContact O-N 3.38Å; L123-L125 VanDerWaalsContact O-N 3.17Å; L125-S127 PolarHBondContact O-N 3.19Å; L125-K128 CarbonylContact O-C 3.4Å; L125-K128 PolarHBondContact O-N 3.05Å |
| 126 | S | 28.2 | Very low | 31.3 | Very low | 108 Ų | 108 | 86 Ų | 86 | 76% | 0.755 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -25.1 | 116.6 | -176.7 | 65 | 0 | 0 | 0 | 0 | 114.4 | K128 | S126-K128 PolarHBondContact O-N 3.25Š|
| 127 | S | 31.9 | Very low | 31.4 | Very low | 129 Ų | 129 | 91.8 Ų | 91.8 | 90% | 0.902 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 4 | 178.2 | 62.8 | 0 | 0 | 0 | 0 | 118.1 | L125 | L125-S127 PolarHBondContact O-N 3.19Š|
| 128 | K | 31.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 95.5 Ų | 95.5 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 101.2 | -178.3 | -70.2 | -177.2 | 176.5 | 178.3 | 0 | 110.4 | L125 S126 T130 | L125-K128 CarbonylContact O-C 3.4Å; L125-K128 PolarHBondContact O-N 3.05Å; S126-K128 PolarHBondContact O-N 3.25Å; K128-T130 PolarHBondContact O-N 3.42Å |
| 129 | C | 32.6 | Very low | 31.4 | Very low | 51 Ų | 51 | 98.4 Ų | 98.4 | 35% | 0.345 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 110.4 | 171.4 | -72.1 | 0 | 0 | 0 | 0 | 109.4 | C105 | C105-C129 HydrophobicContact CB-CB 3.66Å; C105-C129 WeakPolarHBondContact CB-SG 3.31Å; C105-C129 WeakPolarHBondContact SG-CB 3.37Å; C105-C129 CovalentContact SG-SG 2.04Å; C105-C129 PolarHBondContact SG-SG 2.94Å |
| 130 | T | 34.3 | Very low | 31.1 | Very low | 75 Ų | 75 | 103.3 Ų | 103.3 | 46% | 0.46 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.4 | 173.7 | -47.5 | 0 | 0 | 0 | 0 | 107.7 | K128 I132 | K128-T130 PolarHBondContact O-N 3.42Å; T130-I132 PolarHBondContact O-N 3.1Å |
| 131 | P | 34.1 | Very low | 30.7 | Very low | 102 Ų | 102 | 105.3 Ų | 105.3 | 66% | 0.662 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.4 | 124.5 | 177.7 | 26.1 | -31.2 | 0 | 0 | 0 | 109.1 | ||
| 132 | I | 30.8 | Very low | 30.6 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 34% | 0.338 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 113.8 | 168.2 | -50.9 | -158.7 | 0 | 0 | 0 | 107.7 | L123 T130 F134 | L123-I132 HydrophobicContact CB-CD1 4.45Å; L123-I132 HydrophobicContact CB-CG1 4.4Å; L123-I132 HydrophobicContact CD1-CB 4.18Å; L123-I132 HydrophobicContact CD1-CD1 3.23Å; L123-I132 HydrophobicContact CD1-CG1 3.71Å; L123-I132 HydrophobicContact CG-CD1 4.42Å; T130-I132 PolarHBondContact O-N 3.1Å; I132-F134 HydrophobicContact CB-CD2 4.49Å; I132-F134 HydrophobicContact CB-CE2 3.72Å; I132-F134 HydrophobicContact CB-CZ 3.86Å; I132-F134 HydrophobicContact CG2-CD1 4.23Å; I132-F134 HydrophobicContact CG2-CD2 4.12Å; I132-F134 HydrophobicContact CG2-CE1 3.65Å; I132-F134 HydrophobicContact CG2-CE2 3.5Å; I132-F134 VanDerWaalsContact CG2-CE2 3.5Å; I132-F134 HydrophobicContact CG2-CG 4.46Å; I132-F134 HydrophobicContact CG2-CZ 3.27Å |
| 133 | Q | 32.5 | Very low | 30.8 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.1 | 169.3 | -75.1 | -177.9 | -22.4 | 0 | 0 | 108.8 | ||
| 134 | F | 32.6 | Very low | 31.3 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 45% | 0.452 | 68% | 0.68 | S | S | . | * | trans | -114.1 | 123.7 | 167 | -56.5 | -84.5 | 0 | 0 | 0 | 108.3 | V121 L123 I132 A136 | V121-F134 HydrophobicContact CB-CD2 3.73Å; V121-F134 HydrophobicContact CB-CE2 3.56Å; V121-F134 HydrophobicContact CG1-CD2 4.46Å; V121-F134 HydrophobicContact CG1-CE2 3.83Å; V121-F134 HydrophobicContact CG2-CD2 3.86Å; V121-F134 HydrophobicContact CG2-CE2 4.06Å; L123-F134 HydrophobicContact CD1-CZ 4.4Å; I132-F134 HydrophobicContact CB-CD2 4.49Å; I132-F134 HydrophobicContact CB-CE2 3.72Å; I132-F134 HydrophobicContact CB-CZ 3.86Å; I132-F134 HydrophobicContact CG2-CD1 4.23Å; I132-F134 HydrophobicContact CG2-CD2 4.12Å; I132-F134 HydrophobicContact CG2-CE1 3.65Å; I132-F134 HydrophobicContact CG2-CE2 3.5Å; I132-F134 VanDerWaalsContact CG2-CE2 3.5Å; I132-F134 HydrophobicContact CG2-CG 4.46Å; I132-F134 HydrophobicContact CG2-CZ 3.27Å; F134-A136 PolarHBondContact O-N 3.03Å; F134-A136 VanDerWaalsContact O-N 3.1Å | ||
| 135 | N | 31.2 | Very low | 31.8 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 94% | 0.936 | 69% | 0.694 | S | S | * | * | trans | -79.7 | 85.1 | 168.9 | -99 | -19.5 | 0 | 0 | 0 | 109 | ||||
| 136 | A | 31 | Very low | 32.6 | Very low | 53 Ų | 53 | 130.8 Ų | 130.8 | 44% | 0.438 | 71% | 0.71 | S | S | . | * | trans | -82.2 | 114.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | F134 W138 | F134-A136 PolarHBondContact O-N 3.03Å; F134-A136 VanDerWaalsContact O-N 3.1Å; A136-W138 VanDerWaalsContact O-CD1 3.26Å | ||
| 137 | K | 29.5 | Very low | 33.3 | Very low | 212 Ų | 212 | 132.8 Ų | 132.8 | 92% | 0.922 | 75% | 0.748 | S | S | * | * | trans | -88.6 | 126.1 | 168.2 | -79.3 | -176.4 | 177 | 179.9 | 0 | 109 | ||||
| 138 | W | 29.1 | Very low | 33.4 | Very low | 193 Ų | 193 | 133 Ų | 133 | 73% | 0.731 | 74% | 0.74 | S | S | * | * | trans | -112.8 | 130.2 | 175.9 | -53.3 | 56.9 | 0 | 0 | 0 | 106.8 | A136 | A136-W138 VanDerWaalsContact O-CD1 3.26Š| ||
| 139 | S | 28.2 | Very low | 33.5 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -116.9 | 127.6 | 170.9 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 140 | I | 25.9 | Very low | 33.5 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -100.3 | 120.2 | 173.9 | -56.5 | 175.4 | 0 | 0 | 0 | 106.4 | H142 | I140-H142 WeakPolarHBondContact CG2-NE2 3.38Š| ||
| 141 | S | 28.3 | Very low | 33.5 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -103.6 | 114.6 | 170.4 | 57.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 142 | H | 32 | Very low | 33.4 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -90.8 | 120.8 | 170.7 | -76.5 | -83.8 | 0 | 0 | 0 | 108.9 | I140 | I140-H142 WeakPolarHBondContact CG2-NE2 3.38Š| ||
| 143 | K | 36.5 | Very low | 33.6 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -83.1 | 106.2 | 158.9 | -79.1 | -176.4 | 174.2 | -175.9 | 0 | 107.1 | N145 | K143-N145 PolarHBondContact O-N 3.28Š| ||
| 144 | S | 41.3 | Very low | 33.7 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -74.9 | 108.6 | 166.6 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 145 | N | 40.1 | Very low | 33.8 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 88% | 0.877 | 85% | 0.853 | S | S | * | * | trans | -87.9 | 102 | 159.1 | -99.5 | 0.6 | 0 | 0 | 0 | 107 | K143 | K143-N145 PolarHBondContact O-N 3.28Š| ||
| 146 | T | 43.5 | Very low | 34 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 86% | 0.859 | 85% | 0.846 | S | S | * | * | trans | -73 | 115.2 | 160.5 | 43.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 147 | G | 42.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 155.8 Ų | 155.8 | 100% | 1.546 | 88% | 0.883 | S | S | * | * | trans | -143.9 | 0 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 147 of 147 residues in 83.6 ms
(Link to these results)