| 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 | 61.2 | Low | 91.4 | Very high | 166 Ų | 166 | 29.5 Ų | 29.5 | 82% | 0.818 | 14% | 0.137 | S | C | * | . | 0 | 121.2 | 0 | -160.9 | 161.3 | 112.7 | 0 | 0 | 106.8 | E58 | M1-E58 HydrophobicContact CE-CB 3.97Å; M1-E58 HydrophobicContact CE-CG 4.25Å; M1-E58 WeakPolarHBondContact CE-OE2 2.86Å | |||
| 2 | F | 76.8 | Confident | 91.8 | Very high | 43 Ų | 43 | 31.8 Ų | 31.8 | 19% | 0.189 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127 | 173.8 | -77.4 | -81.7 | 0 | 0 | 0 | 107.4 | K55 C57 E58 V169 S173 | F2-K55 HydrophobicContact CD2-CD 4.43Å; F2-K55 HydrophobicContact CE2-CD 4.05Å; F2-C57 WeakPolarHBondContact O-CA 3.21Å; F2-E58 PolarHBondContact O-N 3.17Å; F2-V169 HydrophobicContact CD2-CG1 4.23Å; F2-V169 HydrophobicContact CG-CG1 4.33Å; F2-S173 VanDerWaalsContact CZ-OG 3.23Å; F2-S173 WeakPolarHBondContact CZ-OG 3.47Å |
| 3 | K | 90.1 | Very high | 91.9 | Very high | 92 Ų | 92 | 36.4 Ų | 36.4 | 40% | 0.4 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.2 | 171.8 | -176.6 | 165.7 | 176.5 | 128.9 | 0 | 107.8 | E58 E60 | K3-E58 CarbonylContact C-O 3.58Å; K3-E58 WeakPolarHBondContact CA-O 3.35Å; K3-E58 IonicContact NZ-OE1 2.67Å; K3-E58 PolarHBondContact NZ-OE1 2.94Å; K3-E60 WeakPolarHBondContact CE-OE1 3.35Å; K3-E60 IonicContact NZ-OE1 3.46Å; K3-E60 PolarHBondContact NZ-OE1 2.89Å |
| 4 | T | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.2 | -172 | -57.4 | 0 | 0 | 0 | 0 | 109.1 | I6 C57 E58 V59 E60 V168 | T4-I6 HydrophobicContact CG2-CD1 3.54Å; T4-I6 HydrophobicContact CG2-CG1 3.96Å; T4-C57 PolarHBondContact OG1-SG 3.46Å; T4-E58 PolarHBondContact N-O 3.26Å; T4-V59 WeakPolarHBondContact O-CA 3.21Å; T4-E60 PolarHBondContact O-N 3.31Å; T4-V168 HydrophobicContact CG2-CB 4.48Å; T4-V168 HydrophobicContact CG2-CG1 3.62Å |
| 5 | K | 96.5 | Very high | 92.2 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114 | 176.2 | 175.6 | 175.3 | 170.4 | -177 | 0 | 109.8 | E60 W62 L77 K79 S82 G83 | K5-E60 WeakPolarHBondContact CA-O 3.14Å; K5-W62 HydrophobicContact CD-CD2 4.48Å; K5-W62 HydrophobicContact CD-CZ2 4.15Å; K5-W62 VanDerWaalsContact CE-CE2 3.5Å; K5-W62 HydrophobicContact CG-CG 4.48Å; K5-L77 WeakPolarHBondContact CE-O 3.49Å; K5-L77 PolarHBondContact NZ-O 2.82Å; K5-K79 PolarHBondContact NZ-O 3.05Å; K5-S82 PolarHBondContact N-OG 3.33Å; K5-S82 WeakPolarHBondContact O-CA 3.45Å; K5-S82 WeakPolarHBondContact O-CB 3.5Å; K5-S82 PolarHBondContact O-N 2.99Å; K5-G83 PolarHBondContact O-N 2.84Å |
| 6 | I | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.9 | 179.6 | -57.4 | -58.5 | 0 | 0 | 0 | 109.8 | T4 F8 V59 E60 W62 G83 V85 Y164 L165 V168 | T4-I6 HydrophobicContact CG2-CD1 3.54Å; T4-I6 HydrophobicContact CG2-CG1 3.96Å; I6-F8 HydrophobicContact CG2-CD1 4.04Å; I6-F8 HydrophobicContact CG2-CE1 3.89Å; I6-V59 HydrophobicContact CG1-CG1 4.23Å; I6-E60 PolarHBondContact N-O 2.9Å; I6-W62 PolarHBondContact O-N 3.03Å; I6-G83 WeakPolarHBondContact CA-O 3.49Å; I6-V85 HydrophobicContact CG2-CG2 3.79Å; I6-Y164 HydrophobicContact CD1-CE1 4.14Å; I6-Y164 HydrophobicContact CG2-CE1 4.31Å; I6-L165 HydrophobicContact CD1-CD2 3.98Å; I6-L165 HydrophobicContact CG1-CD2 3.72Å; I6-V168 HydrophobicContact CD1-CG1 4.19Å; I6-V168 HydrophobicContact CD1-CG2 4.22Å |
| 7 | L | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.2 | 176.3 | -59 | -176.3 | 0 | 0 | 0 | 110.8 | V9 W62 M78 C81 G83 V84 V85 F106 | L7-V9 HydrophobicContact CB-CG1 4.2Å; L7-W62 HydrophobicContact CD2-CB 3.56Å; L7-W62 HydrophobicContact CD2-CD2 4.18Å; L7-W62 HydrophobicContact CD2-CE3 4.23Å; L7-W62 HydrophobicContact CD2-CG 3.91Å; L7-M78 HydrophobicContact CD1-CG 4.38Å; L7-C81 HydrophobicContact CD1-CB 3.74Å; L7-C81 HydrophobicContact CG-CB 3.85Å; L7-G83 PolarHBondContact N-O 2.88Å; L7-V84 HydrophobicContact CB-CG2 4.34Å; L7-V84 HydrophobicContact CD1-CG2 4.39Å; L7-V85 PolarHBondContact O-N 3Å; L7-F106 HydrophobicContact CD1-CD1 4.15Å; L7-F106 HydrophobicContact CD1-CE1 4.42Å |
| 8 | F | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 113.1 | 168.4 | -85.8 | 26.7 | 0 | 0 | 0 | 108.7 | I6 V19 A20 L23 L61 W62 C64 V85 I87 F161 | I6-F8 HydrophobicContact CG2-CD1 4.04Å; I6-F8 HydrophobicContact CG2-CE1 3.89Å; F8-V19 HydrophobicContact CE2-CB 4.35Å; F8-V19 HydrophobicContact CE2-CG1 3.95Å; F8-V19 HydrophobicContact CZ-CG1 4.49Å; F8-A20 HydrophobicContact CD2-CB 3.93Å; F8-A20 HydrophobicContact CE2-CB 4.05Å; F8-L23 HydrophobicContact CE2-CD1 4.11Å; F8-L23 HydrophobicContact CZ-CD1 3.67Å; F8-L61 HydrophobicContact CB-CD2 4.37Å; F8-L61 HydrophobicContact CD1-CD1 4.47Å; F8-L61 HydrophobicContact CD1-CD2 4.16Å; F8-L61 HydrophobicContact CD1-CG 4.12Å; F8-L61 HydrophobicContact CD2-CD1 4.4Å; F8-L61 HydrophobicContact CD2-CD2 3.92Å; F8-L61 HydrophobicContact CD2-CG 4.46Å; F8-L61 HydrophobicContact CE1-CD1 3.99Å; F8-L61 HydrophobicContact CE1-CD2 4.48Å; F8-L61 HydrophobicContact CE1-CG 4.07Å; F8-L61 HydrophobicContact CE2-CD1 3.91Å; F8-L61 HydrophobicContact CE2-CD2 4.26Å; F8-L61 HydrophobicContact CE2-CG 4.41Å; F8-L61 HydrophobicContact CG-CD2 3.89Å; F8-L61 HydrophobicContact CG-CG 4.35Å; F8-L61 HydrophobicContact CZ-CD1 3.7Å; F8-L61 HydrophobicContact CZ-CG 4.24Å; F8-W62 PolarHBondContact N-O 3.32Å; F8-C64 WeakPolarHBondContact O-CB 3.1Å; F8-C64 PolarHBondContact O-N 2.83Å; F8-V85 HydrophobicContact CD1-CB 3.69Å; F8-V85 HydrophobicContact CD1-CG1 4.4Å; F8-V85 HydrophobicContact CD1-CG2 3.94Å; F8-V85 HydrophobicContact CE1-CB 3.69Å; F8-V85 HydrophobicContact CE1-CG1 4.14Å; F8-V85 HydrophobicContact CE1-CG2 3.56Å; F8-I87 HydrophobicContact CB-CD1 4.37Å; F8-I87 HydrophobicContact CD1-CD1 4.48Å; F8-I87 HydrophobicContact CD2-CD1 3.26Å; F8-I87 HydrophobicContact CE2-CD1 3.47Å; F8-I87 VanDerWaalsContact CE2-CD1 3.47Å; F8-I87 HydrophobicContact CG-CD1 3.81Å; F8-I87 HydrophobicContact CZ-CD1 4.17Å; F8-F161 AromaticContact CE1-CE2 3.85Å; F8-F161 HydrophobicContact CE1-CE2 3.85Å; F8-F161 HydrophobicContact CE1-CZ 4.32Å; F8-F161 AromaticContact CZ-CE2 3.9Å; F8-F161 HydrophobicContact CZ-CE2 3.9Å; F8-F161 HydrophobicContact CZ-CZ 4.33Å |
| 9 | V | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 165.2 | -176.2 | -57 | 0 | 0 | 0 | 0 | 111 | L7 C64 V84 V85 I86 I87 W102 F106 | L7-V9 HydrophobicContact CB-CG1 4.2Å; V9-C64 HydrophobicContact CG1-CB 4.28Å; V9-V84 HydrophobicContact CG2-CG1 3.75Å; V9-V85 PolarHBondContact N-O 3.43Å; V9-I86 HydrophobicContact CG2-CB 4.49Å; V9-I86 HydrophobicContact CG2-CG1 3.9Å; V9-I86 CarbonylContact O-C 3.55Å; V9-I86 WeakPolarHBondContact O-CA 3.39Å; V9-I87 PolarHBondContact O-N 2.95Å; V9-W102 HydrophobicContact CB-CE3 3.84Å; V9-W102 HydrophobicContact CB-CZ3 4.14Å; V9-W102 HydrophobicContact CG2-CE3 4.31Å; V9-F106 HydrophobicContact CB-CD2 4.48Å; V9-F106 HydrophobicContact CB-CG 4.47Å; V9-F106 HydrophobicContact CG1-CD1 3.71Å; V9-F106 HydrophobicContact CG1-CD2 4.36Å; V9-F106 HydrophobicContact CG1-CE1 3.68Å; V9-F106 HydrophobicContact CG1-CE2 4.35Å; V9-F106 HydrophobicContact CG1-CG 4.04Å; V9-F106 HydrophobicContact CG1-CZ 4Å; V9-F106 HydrophobicContact CG2-CB 4.36Å; V9-F106 HydrophobicContact CG2-CD2 4.46Å; V9-F106 HydrophobicContact CG2-CG 4.25Å |
| 10 | G | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | 135.7 | 174.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | K16 G66 W102 | G10-K16 PolarHBondContact O-NZ 3.34Å; G10-G66 WeakPolarHBondContact O-CA 3.21Å; G10-W102 VanDerWaalsContact C-CE2 3.41Å; G10-W102 WeakPolarHBondContact O-CZ2 3.04Å | ||
| 11 | P | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -54.4 | 157 | -172.7 | -29.5 | 38.5 | 0 | 0 | 0 | 114.9 | S14 K16 H95 E98 | P11-S14 WeakPolarHBondContact O-CB 3.44Å; P11-S14 PolarHBondContact O-N 2.81Å; P11-S14 PolarHBondContact O-OG 3.11Å; P11-K16 PolarHBondContact O-NZ 2.87Å; P11-H95 WeakPolarHBondContact CB-CD2 3.31Å; P11-H95 WeakPolarHBondContact CB-NE2 3.43Å; P11-H95 HydrophobicContact CG-CB 4.08Å; P11-E98 WeakPolarHBondContact CB-OE2 3.41Å; P11-E98 HydrophobicContact CG-CB 3.67Å | ||
| 12 | T | 95.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 23.3 Ų | 23.3 | 35% | 0.35 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 149.1 | 168.1 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | S14 D67 H95 | T12-S14 PolarHBondContact O-N 3.25Å; T12-S14 VanDerWaalsContact O-N 3.12Å; T12-D67 HydrophobicContact CG2-CB 4.21Å; T12-H95 PolarHBondContact O-NE2 3.42Å |
| 13 | E | 93.8 | Very high | 95.2 | Very high | 92 Ų | 92 | 21.3 Ų | 21.3 | 43% | 0.43 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 14.7 | 180 | -58.9 | -178.1 | -159.4 | 0 | 0 | 116.2 | G15 Y34 | E13-G15 VanDerWaalsContact C-N 3.28Å; E13-G15 PolarHBondContact O-N 3.11Å; E13-Y34 HydrophobicContact CG-CD1 3.97Å; E13-Y34 HydrophobicContact CG-CD2 4.4Å; E13-Y34 HydrophobicContact CG-CE1 3.39Å; E13-Y34 HydrophobicContact CG-CE2 3.92Å; E13-Y34 HydrophobicContact CG-CG 4.43Å; E13-Y34 PolarHBondContact N-OH 2.83Å |
| 14 | S | 94.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -76.8 | -5.2 | 176.8 | 65.5 | 0 | 0 | 0 | 0 | 116.1 | P11 T12 K16 I87 | P11-S14 WeakPolarHBondContact O-CB 3.44Å; P11-S14 PolarHBondContact O-N 2.81Å; P11-S14 PolarHBondContact O-OG 3.11Å; T12-S14 PolarHBondContact O-N 3.25Å; T12-S14 VanDerWaalsContact O-N 3.12Å; S14-K16 PolarHBondContact OG-NZ 3.31Å; S14-I87 WeakPolarHBondContact CB-O 3.48Å; S14-I87 PolarHBondContact OG-O 2.68Å |
| 15 | G | 93.3 | Very high | 95 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 18% | 0.175 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 87.4 | 7.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | E13 T17 V18 V19 | E13-G15 VanDerWaalsContact C-N 3.28Å; E13-G15 PolarHBondContact O-N 3.11Å; G15-T17 VanDerWaalsContact C-N 3.32Å; G15-T17 PolarHBondContact O-N 2.67Å; G15-V18 WeakPolarHBondContact O-CB 3.39Å; G15-V18 PolarHBondContact O-N 2.83Å; G15-V19 PolarHBondContact O-N 2.88Å |
| 16 | K | 95.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 4% | 0.043 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -41.6 | -54.9 | 176 | -75.6 | 179.8 | -58.7 | -67.1 | 0 | 113.8 | G10 P11 S14 V18 V19 A20 C64 I87 | G10-K16 PolarHBondContact O-NZ 3.34Å; P11-K16 PolarHBondContact O-NZ 2.87Å; S14-K16 PolarHBondContact OG-NZ 3.31Å; K16-V18 VanDerWaalsContact C-N 3.31Å; K16-V18 PolarHBondContact O-N 3.08Å; K16-V19 PolarHBondContact O-N 3.32Å; K16-A20 VanDerWaalsContact O-CB 3.24Å; K16-A20 WeakPolarHBondContact O-CB 3.36Å; K16-A20 PolarHBondContact O-N 3.22Å; K16-C64 WeakPolarHBondContact CE-O 3.23Å; K16-I87 HydrophobicContact CB-CD1 4.43Å; K16-I87 HydrophobicContact CG-CB 3.77Å; K16-I87 HydrophobicContact CG-CD1 4.09Å; K16-I87 HydrophobicContact CG-CG1 4.24Å; K16-I87 HydrophobicContact CG-CG2 4.36Å |
| 17 | T | 95 | Very high | 92.8 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 15% | 0.147 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -37.3 | -178.2 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | G15 N21 T37 D63 | G15-T17 VanDerWaalsContact C-N 3.32Å; G15-T17 PolarHBondContact O-N 2.67Å; T17-N21 WeakPolarHBondContact O-CB 3.39Å; T17-N21 PolarHBondContact O-N 3.25Å; T17-N21 PolarHBondContact O-ND2 2.83Å; T17-N21 PolarHBondContact O-OD1 2.98Å; T17-T37 PolarHBondContact OG1-OG1 3.38Å; T17-D63 WeakPolarHBondContact CA-OD2 3.37Å; T17-D63 WeakPolarHBondContact CB-OD2 3.37Å; T17-D63 PolarHBondContact OG1-OD1 3.2Å; T17-D63 PolarHBondContact OG1-OD2 3.31Å |
| 18 | V | 93.2 | Very high | 91.1 | Very high | 74 Ų | 74 | 35.3 Ų | 35.3 | 45% | 0.448 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.7 | -48.7 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 110 | G15 K16 A20 N21 F22 L150 | G15-V18 WeakPolarHBondContact O-CB 3.39Å; G15-V18 PolarHBondContact O-N 2.83Å; K16-V18 VanDerWaalsContact C-N 3.31Å; K16-V18 PolarHBondContact O-N 3.08Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 3.48Å; V18-N21 PolarHBondContact O-N 3.38Å; V18-F22 PolarHBondContact O-N 3.32Å; V18-L150 HydrophobicContact CG1-CD1 3.69Å |
| 19 | V | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.1 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | F8 G15 K16 N21 F22 L23 I87 I120 H122 L150 | F8-V19 HydrophobicContact CE2-CB 4.35Å; F8-V19 HydrophobicContact CE2-CG1 3.95Å; F8-V19 HydrophobicContact CZ-CG1 4.49Å; G15-V19 PolarHBondContact O-N 2.88Å; K16-V19 PolarHBondContact O-N 3.32Å; V19-N21 PolarHBondContact O-N 3.17Å; V19-F22 PolarHBondContact O-N 3.46Å; V19-L23 HydrophobicContact CG1-CD1 3.69Å; V19-L23 HydrophobicContact CG1-CG 4.25Å; V19-L23 WeakPolarHBondContact O-CB 3.39Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 2.81Å; V19-I87 HydrophobicContact CB-CD1 4.2Å; V19-I87 HydrophobicContact CG1-CD1 4.2Å; V19-I120 HydrophobicContact CG1-CD1 4.18Å; V19-H122 HydrophobicContact CG2-CB 4.37Å; V19-L150 HydrophobicContact CG2-CD1 4.42Å |
| 20 | A | 95.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F8 K16 V18 S24 L43 L61 D63 | F8-A20 HydrophobicContact CD2-CB 3.93Å; F8-A20 HydrophobicContact CE2-CB 4.05Å; K16-A20 VanDerWaalsContact O-CB 3.24Å; K16-A20 WeakPolarHBondContact O-CB 3.36Å; K16-A20 PolarHBondContact O-N 3.22Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 3.48Å; A20-S24 WeakPolarHBondContact O-CB 3.49Å; A20-S24 PolarHBondContact O-N 2.86Å; A20-S24 PolarHBondContact O-OG 3.31Å; A20-L43 HydrophobicContact CB-CD1 3.86Å; A20-L61 HydrophobicContact CB-CD1 4.24Å; A20-L61 HydrophobicContact CB-CD2 3.68Å; A20-D63 HydrophobicContact CB-CB 4.25Å |
| 21 | N | 93.5 | Very high | 85.4 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 177.4 | -70.1 | -11.7 | 0 | 0 | 0 | 111 | T17 V18 V19 S24 D25 T26 E28 R41 | T17-N21 WeakPolarHBondContact O-CB 3.39Å; T17-N21 PolarHBondContact O-N 3.25Å; T17-N21 PolarHBondContact O-ND2 2.83Å; T17-N21 PolarHBondContact O-OD1 2.98Å; V18-N21 PolarHBondContact O-N 3.38Å; V19-N21 PolarHBondContact O-N 3.17Å; N21-S24 PolarHBondContact O-N 3.1Å; N21-S24 PolarHBondContact O-OG 2.99Å; N21-D25 PolarHBondContact O-N 2.9Å; N21-T26 WeakPolarHBondContact CB-O 3.34Å; N21-T26 PolarHBondContact O-N 3.28Å; N21-E28 PolarHBondContact ND2-O 3.45Å; N21-R41 VanDerWaalsContact OD1-CZ 3.29Å; N21-R41 PolarHBondContact OD1-NH1 3.46Å; N21-R41 PolarHBondContact OD1-NH2 3.35Å |
| 22 | F | 92.9 | Very high | 84 | Confident | 50 Ų | 50 | 51.5 Ų | 51.5 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 176.8 | 171.9 | -107.1 | 0 | 0 | 0 | 112.4 | V18 V19 S24 D25 L150 P154 V157 R158 | V18-F22 PolarHBondContact O-N 3.32Å; V19-F22 PolarHBondContact O-N 3.46Å; F22-S24 VanDerWaalsContact C-N 3.26Å; F22-S24 PolarHBondContact O-N 2.95Å; F22-D25 PolarHBondContact O-N 2.91Å; F22-L150 HydrophobicContact CB-CD1 4.09Å; F22-L150 HydrophobicContact CB-CD2 4.42Å; F22-L150 HydrophobicContact CD1-CD2 3.52Å; F22-L150 HydrophobicContact CD2-CD2 4.41Å; F22-L150 HydrophobicContact CE1-CD2 3.84Å; F22-L150 HydrophobicContact CG-CD1 4.36Å; F22-L150 HydrophobicContact CG-CD2 3.84Å; F22-L150 HydrophobicContact CZ-CD2 4.44Å; F22-P154 HydrophobicContact CE1-CB 4.35Å; F22-P154 WeakPolarHBondContact CE1-O 3.33Å; F22-P154 HydrophobicContact CE2-CB 3.68Å; F22-P154 HydrophobicContact CZ-CB 3.53Å; F22-P154 WeakPolarHBondContact CZ-O 3.36Å; F22-V157 HydrophobicContact CE1-CB 4.47Å; F22-R158 HydrophobicContact CE1-CB 3.87Å; F22-R158 HydrophobicContact CZ-CB 4.06Å |
| 23 | L | 93.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.2 | -19.8 | -176.5 | -68.1 | 171.5 | 0 | 0 | 0 | 114.4 | F8 V19 R158 F161 | F8-L23 HydrophobicContact CE2-CD1 4.11Å; F8-L23 HydrophobicContact CZ-CD1 3.67Å; V19-L23 HydrophobicContact CG1-CD1 3.69Å; V19-L23 HydrophobicContact CG1-CG 4.25Å; V19-L23 WeakPolarHBondContact O-CB 3.39Å; V19-L23 VanDerWaalsContact O-CG 3.27Å; V19-L23 WeakPolarHBondContact O-CG 3.46Å; V19-L23 PolarHBondContact O-N 2.81Å; L23-R158 HydrophobicContact CD2-CB 4.42Å; L23-R158 HydrophobicContact CD2-CG 4.44Å; L23-F161 HydrophobicContact CB-CD1 4.37Å; L23-F161 HydrophobicContact CB-CE1 4.35Å; L23-F161 HydrophobicContact CD1-CB 4.22Å; L23-F161 HydrophobicContact CD1-CD1 3.75Å; L23-F161 HydrophobicContact CD1-CD2 3.77Å; L23-F161 HydrophobicContact CD1-CE1 3.97Å; L23-F161 HydrophobicContact CD1-CE2 4.02Å; L23-F161 HydrophobicContact CD1-CG 3.63Å; L23-F161 HydrophobicContact CD1-CZ 4.11Å; L23-F161 HydrophobicContact CD2-CB 3.79Å; L23-F161 HydrophobicContact CD2-CD1 3.7Å; L23-F161 HydrophobicContact CD2-CE1 4.48Å; L23-F161 HydrophobicContact CD2-CG 3.85Å; L23-F161 HydrophobicContact CG-CD1 4.15Å; L23-F161 HydrophobicContact CG-CG 4.33Å |
| 24 | S | 92.2 | Very high | 82.8 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 8.9 | 179.3 | 60.4 | 0 | 0 | 0 | 0 | 113 | A20 N21 F22 T26 | A20-S24 WeakPolarHBondContact O-CB 3.49Å; A20-S24 PolarHBondContact O-N 2.86Å; A20-S24 PolarHBondContact O-OG 3.31Å; N21-S24 PolarHBondContact O-N 3.1Å; N21-S24 PolarHBondContact O-OG 2.99Å; F22-S24 VanDerWaalsContact C-N 3.26Å; F22-S24 PolarHBondContact O-N 2.95Å; S24-T26 PolarHBondContact O-N 3.44Å; S24-T26 VanDerWaalsContact O-N 3.08Å; S24-T26 PolarHBondContact O-OG1 2.82Å; S24-T26 WeakPolarHBondContact OG-CB 3.47Å; S24-T26 PolarHBondContact OG-OG1 3.4Å |
| 25 | D | 86.8 | Confident | 82.4 | Confident | 129 Ų | 129 | 66.2 Ų | 66.2 | 69% | 0.69 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 27.4 | -173.5 | -62.8 | -44.7 | 0 | 0 | 0 | 113.5 | N21 F22 | N21-D25 PolarHBondContact O-N 2.9Å; F22-D25 PolarHBondContact O-N 2.91Å |
| 26 | T | 80.5 | Confident | 82.4 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 23% | 0.233 | 39% | 0.386 | C | S | . | . | trans | -88.4 | 128.1 | -179.3 | -61.2 | 0 | 0 | 0 | 0 | 110.3 | N21 S24 E28 | N21-T26 WeakPolarHBondContact CB-O 3.34Å; N21-T26 PolarHBondContact O-N 3.28Å; S24-T26 PolarHBondContact O-N 3.44Å; S24-T26 VanDerWaalsContact O-N 3.08Å; S24-T26 PolarHBondContact O-OG1 2.82Å; S24-T26 WeakPolarHBondContact OG-CB 3.47Å; S24-T26 PolarHBondContact OG-OG1 3.4Å; T26-E28 VanDerWaalsContact C-N 3.31Å; T26-E28 HydrophobicContact CG2-CB 3.92Å; T26-E28 HydrophobicContact CG2-CG 3.69Å; T26-E28 PolarHBondContact O-N 3.45Å | ||
| 27 | T | 67.5 | Low | 82.3 | Confident | 128 Ų | 128 | 68.9 Ų | 68.9 | 79% | 0.785 | 39% | 0.39 | S | S | * | . | trans | -88.5 | 12.6 | -177.5 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 28 | E | 62.8 | Low | 82.3 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 144.8 | 179.1 | -68.8 | -174 | 164.5 | 0 | 0 | 111.5 | N21 T26 V30 R41 | N21-E28 PolarHBondContact ND2-O 3.45Å; T26-E28 VanDerWaalsContact C-N 3.31Å; T26-E28 HydrophobicContact CG2-CB 3.92Å; T26-E28 HydrophobicContact CG2-CG 3.69Å; T26-E28 PolarHBondContact O-N 3.45Å; E28-V30 PolarHBondContact O-N 2.89Å; E28-R41 IonicContact OE2-NH1 2.78Å; E28-R41 PolarHBondContact OE2-NH1 3.35Å |
| 29 | N | 56.5 | Low | 82.3 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 20.3 | 172.2 | -61.2 | -28.9 | 0 | 0 | 0 | 116.5 | G31 | N29-G31 PolarHBondContact O-N 3.26Å; N29-G31 VanDerWaalsContact O-N 3.17Å |
| 30 | V | 58 | Low | 82.4 | Confident | 117 Ų | 117 | 72.9 Ų | 72.9 | 71% | 0.709 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 108.5 | 174.6 | -176 | 0 | 0 | 0 | 0 | 108.9 | E28 | E28-V30 PolarHBondContact O-N 2.89Š|
| 31 | G | 60.1 | Low | 82.4 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 91% | 0.907 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 21.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117 | N29 | N29-G31 PolarHBondContact O-N 3.26Å; N29-G31 VanDerWaalsContact O-N 3.17Å |
| 32 | G | 66.9 | Low | 82.6 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | trans | -103.2 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 33 | E | 79.1 | Confident | 82.7 | Confident | 172 Ų | 172 | 76.8 Ų | 76.8 | 80% | 0.804 | 43% | 0.428 | S | S | * | . | trans | -56 | 144.1 | 169.8 | -70.1 | -178.9 | 163.6 | 0 | 0 | 111.5 | R35 | E33-R35 PolarHBondContact O-N 2.66Š| ||
| 34 | Y | 85.3 | Confident | 82.8 | Confident | 120 Ų | 120 | 82.9 Ų | 82.9 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | trans | -59.7 | 127.8 | 178 | 173.3 | -117.4 | 0 | 0 | 0 | 111.6 | E13 P36 | E13-Y34 HydrophobicContact CG-CD1 3.97Å; E13-Y34 HydrophobicContact CG-CD2 4.4Å; E13-Y34 HydrophobicContact CG-CE1 3.39Å; E13-Y34 HydrophobicContact CG-CE2 3.92Å; E13-Y34 HydrophobicContact CG-CG 4.43Å; E13-Y34 PolarHBondContact N-OH 2.83Å; Y34-P36 HydrophobicContact CD1-CG 4.34Å; Y34-P36 HydrophobicContact CE1-CB 4.36Å; Y34-P36 HydrophobicContact CE1-CG 3.65Å | ||
| 35 | R | 88.5 | Confident | 82.9 | Confident | 166 Ų | 166 | 83.5 Ų | 83.5 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | trans | -126.4 | 110.2 | 176.1 | -69.3 | 176.4 | -179.9 | 178.2 | -0.3 | 108.9 | E33 T37 | E33-R35 PolarHBondContact O-N 2.66Å; R35-T37 PolarHBondContact O-N 3.42Å | ||
| 36 | P | 92.1 | Very high | 83.1 | Confident | 62 Ų | 62 | 83.7 Ų | 83.7 | 40% | 0.403 | 45% | 0.454 | S | S | . | . | trans | -61.5 | 133 | 179.7 | -18.5 | 27 | 0 | 0 | 0 | 111.6 | Y34 Q38 | Y34-P36 HydrophobicContact CD1-CG 4.34Å; Y34-P36 HydrophobicContact CE1-CB 4.36Å; Y34-P36 HydrophobicContact CE1-CG 3.65Å; P36-Q38 PolarHBondContact O-N 2.83Å; P36-Q38 PolarHBondContact O-NE2 3.33Å | ||
| 37 | T | 93.3 | Very high | 83.4 | Confident | 22 Ų | 22 | 82.2 Ų | 82.2 | 14% | 0.135 | 45% | 0.445 | C | S | . | . | trans | -58.7 | 127.5 | 171.1 | -49.8 | 0 | 0 | 0 | 0 | 110 | T17 R35 R41 S65 | T17-T37 PolarHBondContact OG1-OG1 3.38Å; R35-T37 PolarHBondContact O-N 3.42Å; T37-R41 HydrophobicContact CG2-CB 4.47Å; T37-S65 WeakPolarHBondContact O-CB 3.39Å; T37-S65 PolarHBondContact O-OG 3Å | ||
| 38 | Q | 94.7 | Very high | 84.1 | Confident | 118 Ų | 118 | 82.4 Ų | 82.4 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | trans | -94.9 | 107.9 | 177.8 | -59.2 | -54.5 | -57.5 | 0 | 0 | 109.3 | P36 V40 F70 | P36-Q38 PolarHBondContact O-N 2.83Å; P36-Q38 PolarHBondContact O-NE2 3.33Å; Q38-V40 PolarHBondContact O-N 3.28Å; Q38-V40 VanDerWaalsContact O-N 3.1Å; Q38-F70 HydrophobicContact CB-CZ 4.34Å | ||
| 39 | G | 95.1 | Very high | 84.4 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 13% | 0.134 | 42% | 0.416 | C | S | . | . | S | Bend | trans | 71.2 | -99.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S65 F70 | G39-S65 VanDerWaalsContact O-CB 3.31Å; G39-S65 WeakPolarHBondContact O-CB 3.49Å; G39-S65 PolarHBondContact O-N 3.4Å; G39-F70 VanDerWaalsContact N-CE2 3.32Å |
| 40 | V | 96.6 | Very high | 84.9 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 31% | 0.309 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 145.1 | -178.5 | 62 | 0 | 0 | 0 | 0 | 110.5 | Q38 W62 D63 L77 | Q38-V40 PolarHBondContact O-N 3.28Å; Q38-V40 VanDerWaalsContact O-N 3.1Å; V40-W62 HydrophobicContact CG2-CB 4.01Å; V40-W62 HydrophobicContact CG2-CD2 4.39Å; V40-W62 HydrophobicContact CG2-CE3 3.93Å; V40-W62 HydrophobicContact CG2-CG 4.48Å; V40-D63 WeakPolarHBondContact CA-O 3.47Å; V40-L77 HydrophobicContact CB-CD2 4.12Å; V40-L77 HydrophobicContact CG1-CD2 3.93Å; V40-L77 HydrophobicContact CG2-CD2 4.35Å |
| 41 | R | 95.3 | Very high | 85.1 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 17% | 0.174 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.7 | 169.9 | 177.5 | 175.2 | 59.5 | 143.5 | 14.6 | 108.6 | N21 E28 T37 L43 W62 D63 | N21-R41 VanDerWaalsContact OD1-CZ 3.29Å; N21-R41 PolarHBondContact OD1-NH1 3.46Å; N21-R41 PolarHBondContact OD1-NH2 3.35Å; E28-R41 IonicContact OE2-NH1 2.78Å; E28-R41 PolarHBondContact OE2-NH1 3.35Å; T37-R41 HydrophobicContact CG2-CB 4.47Å; R41-L43 HydrophobicContact CG-CD2 4.48Å; R41-W62 CarbonylContact O-C 3.41Å; R41-D63 HydrophobicContact CB-CB 4.34Å; R41-D63 IonicContact CZ-OD2 2.76Å; R41-D63 PolarHBondContact N-O 3.29Å; R41-D63 IonicContact NE-OD2 3.81Å; R41-D63 PolarHBondContact NE-OD2 3.02Å; R41-D63 IonicContact NH2-OD2 3.53Å; R41-D63 PolarHBondContact NH2-OD2 2.93Å; R41-D63 PolarHBondContact O-N 3.11Å |
| 42 | I | 96.4 | Very high | 85 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 39% | 0.39 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126 | -178.6 | -56.3 | 173.6 | 0 | 0 | 0 | 108.2 | E44 E60 L61 W62 | I42-E44 HydrophobicContact CG2-CG 4.31Å; I42-E60 HydrophobicContact CG2-CB 4.46Å; I42-L61 WeakPolarHBondContact CA-O 3.3Å; I42-W62 HydrophobicContact CD1-CD2 4.19Å; I42-W62 HydrophobicContact CD1-CH2 4.21Å; I42-W62 HydrophobicContact CD1-CZ2 3.77Å; I42-W62 HydrophobicContact CG1-CD2 4.08Å; I42-W62 HydrophobicContact CG1-CG 4.2Å |
| 43 | L | 96.1 | Very high | 84.9 | Confident | 17 Ų | 17 | 75.6 Ų | 75.6 | 9% | 0.089 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.3 | 175 | -58.1 | 169.6 | 0 | 0 | 0 | 107.9 | A20 R41 L61 | A20-L43 HydrophobicContact CB-CD1 3.86Å; R41-L43 HydrophobicContact CG-CD2 4.48Å; L43-L61 HydrophobicContact CB-CB 4.37Å; L43-L61 HydrophobicContact CD1-CD2 4.44Å; L43-L61 PolarHBondContact N-O 3.41Å; L43-L61 PolarHBondContact O-N 3.48Å |
| 44 | E | 95.4 | Very high | 84.3 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 59% | 0.593 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.7 | -178.6 | -66.5 | -178.2 | 175.9 | 0 | 0 | 109.6 | I42 V59 E60 | I42-E44 HydrophobicContact CG2-CG 4.31Å; E44-V59 WeakPolarHBondContact CA-O 3.49Å; E44-E60 HydrophobicContact CG-CG 4.2Å |
| 45 | F | 93.6 | Very high | 83.5 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 158.6 | 176 | 59.8 | -86.8 | 0 | 0 | 0 | 111.5 | V59 L61 F161 Y162 | F45-V59 HydrophobicContact CD1-CB 4.4Å; F45-V59 HydrophobicContact CD2-CB 4.16Å; F45-V59 HydrophobicContact CD2-CG2 4.42Å; F45-V59 HydrophobicContact CE1-CB 4.07Å; F45-V59 HydrophobicContact CE1-CG1 3.85Å; F45-V59 HydrophobicContact CE2-CB 3.79Å; F45-V59 HydrophobicContact CE2-CG1 4.08Å; F45-V59 HydrophobicContact CE2-CG2 3.93Å; F45-V59 HydrophobicContact CG-CB 4.45Å; F45-V59 HydrophobicContact CZ-CB 3.76Å; F45-V59 HydrophobicContact CZ-CG1 3.55Å; F45-V59 HydrophobicContact CZ-CG2 4.27Å; F45-V59 PolarHBondContact N-O 3.41Å; F45-V59 VanDerWaalsContact N-O 3.11Å; F45-V59 PolarHBondContact O-N 2.84Å; F45-L61 HydrophobicContact CE1-CB 3.94Å; F45-L61 HydrophobicContact CE1-CD1 4.07Å; F45-L61 HydrophobicContact CZ-CD1 4.45Å; F45-F161 HydrophobicContact CZ-CE1 4.21Å; F45-Y162 HydrophobicContact CE2-CE1 4.32Å |
| 46 | E | 91.7 | Very high | 83.2 | Confident | 134 Ų | 134 | 70.6 Ų | 70.6 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 140.6 | 173.7 | -67.3 | -175 | 176.2 | 0 | 0 | 110.4 | I56 C57 | E46-I56 HydrophobicContact CB-CG2 3.91Å; E46-I56 HydrophobicContact CG-CG2 4.02Å; E46-C57 WeakPolarHBondContact CA-O 2.76Å |
| 47 | S | 86 | Confident | 83 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.8 | 175.5 | 179 | 0 | 0 | 0 | 0 | 110.5 | P49 C57 Y162 | S47-P49 VanDerWaalsContact C-CD 3.48Å; S47-P49 VanDerWaalsContact O-CD 3.31Å; S47-P49 WeakPolarHBondContact O-CD 3.11Å; S47-C57 PolarHBondContact N-O 3.29Å; S47-C57 WeakPolarHBondContact O-CB 3.43Å; S47-C57 PolarHBondContact O-N 3.3Å; S47-Y162 WeakPolarHBondContact OG-CD1 3.31Å; S47-Y162 WeakPolarHBondContact OG-CE1 3.35Å |
| 48 | Q | 82.4 | Confident | 83 | Confident | 132 Ų | 132 | 68.5 Ų | 68.5 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | trans | -112.1 | 83.2 | 167.3 | -68.2 | -178.7 | 15.1 | 0 | 0 | 108 | I56 | Q48-I56 HydrophobicContact CG-CG1 4.07Š| ||
| 49 | P | 69.8 | Low | 83 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | trans | -65.6 | 147.9 | -177.9 | 23.5 | -29.6 | 0 | 0 | 0 | 111.5 | S47 G51 S52 C57 Y162 L165 V169 | S47-P49 VanDerWaalsContact C-CD 3.48Å; S47-P49 VanDerWaalsContact O-CD 3.31Å; S47-P49 WeakPolarHBondContact O-CD 3.11Å; P49-G51 PolarHBondContact O-N 2.95Å; P49-S52 PolarHBondContact O-N 2.79Å; P49-S52 PolarHBondContact O-OG 3.47Å; P49-C57 HydrophobicContact CG-CB 4.48Å; P49-Y162 WeakPolarHBondContact CB-O 3.48Å; P49-L165 HydrophobicContact CB-CB 4.22Å; P49-V169 HydrophobicContact CG-CG2 4.49Å | ||
| 50 | E | 65.6 | Low | 83.2 | Confident | 119 Ų | 119 | 63.7 Ų | 63.7 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 131.5 | 179.8 | -68.4 | -175.5 | 167 | 0 | 0 | 111.1 | H159 | E50-H159 VanDerWaalsContact CD-CE1 3.45Å; E50-H159 IonicContact OE1-CE1 3.25Å; E50-H159 PolarHBondContact OE1-CE1 3.08Å; E50-H159 IonicContact OE1-ND1 3.11Å; E50-H159 IonicContact OE2-CE1 2.81Å; E50-H159 PolarHBondContact OE2-CE1 2.97Å; E50-H159 VanDerWaalsContact OE2-CE1 3.25Å; E50-H159 IonicContact OE2-NE2 2.83Å |
| 51 | G | 63.3 | Low | 83.2 | Confident | 89 Ų | 89 | 61.3 Ų | 61.3 | 92% | 0.918 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -2.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P49 G53 | P49-G51 PolarHBondContact O-N 2.95Å; G51-G53 VanDerWaalsContact C-N 3.32Å |
| 52 | S | 58.8 | Low | 83.3 | Confident | 25 Ų | 25 | 61 Ų | 61 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -83.5 | -0.7 | 174.1 | 62.4 | 0 | 0 | 0 | 0 | 114.9 | P49 | P49-S52 PolarHBondContact O-N 2.79Å; P49-S52 PolarHBondContact O-OG 3.47Å |
| 53 | G | 64.4 | Low | 83.4 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | -154 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112 | G51 K55 | G51-G53 VanDerWaalsContact C-N 3.32Å; G53-K55 PolarHBondContact O-N 3.44Å |
| 54 | D | 65.2 | Low | 83.5 | Confident | 165 Ų | 165 | 56.6 Ų | 56.6 | 88% | 0.882 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 13.3 | 177.1 | -79.2 | -9.8 | 0 | 0 | 0 | 114.4 | I56 | D54-I56 PolarHBondContact O-N 3.05Š|
| 55 | K | 70.2 | Confident | 83.5 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 53% | 0.53 | 28% | 0.284 | S | S | . | . | trans | -83.2 | 111.5 | -177.3 | -66.3 | -177.3 | -176.4 | 173.1 | 0 | 110.1 | F2 G53 | F2-K55 HydrophobicContact CD2-CD 4.43Å; F2-K55 HydrophobicContact CE2-CD 4.05Å; G53-K55 PolarHBondContact O-N 3.44Å | ||
| 56 | I | 82.1 | Confident | 83.7 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 34% | 0.338 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 128.9 | 167.2 | -58.5 | 172.5 | 0 | 0 | 0 | 109.1 | E46 Q48 D54 | E46-I56 HydrophobicContact CB-CG2 3.91Å; E46-I56 HydrophobicContact CG-CG2 4.02Å; Q48-I56 HydrophobicContact CG-CG1 4.07Å; D54-I56 PolarHBondContact O-N 3.05Å |
| 57 | C | 87.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.9 | 173.2 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | F2 T4 E46 S47 P49 V169 | F2-C57 WeakPolarHBondContact O-CA 3.21Å; T4-C57 PolarHBondContact OG1-SG 3.46Å; E46-C57 WeakPolarHBondContact CA-O 2.76Å; S47-C57 PolarHBondContact N-O 3.29Å; S47-C57 WeakPolarHBondContact O-CB 3.43Å; S47-C57 PolarHBondContact O-N 3.3Å; P49-C57 HydrophobicContact CG-CB 4.48Å; C57-V169 HydrophobicContact CB-CG2 4.35Å |
| 58 | E | 93.6 | Very high | 84.3 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122 | 168.7 | -171.6 | -167.2 | 155.9 | 0 | 0 | 107.7 | M1 F2 K3 T4 | M1-E58 HydrophobicContact CE-CB 3.97Å; M1-E58 HydrophobicContact CE-CG 4.25Å; M1-E58 WeakPolarHBondContact CE-OE2 2.86Å; F2-E58 PolarHBondContact O-N 3.17Å; K3-E58 CarbonylContact C-O 3.58Å; K3-E58 WeakPolarHBondContact CA-O 3.35Å; K3-E58 IonicContact NZ-OE1 2.67Å; K3-E58 PolarHBondContact NZ-OE1 2.94Å; T4-E58 PolarHBondContact N-O 3.26Å |
| 59 | V | 95.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.5 | -179.9 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | T4 I6 E44 F45 L61 L165 | T4-V59 WeakPolarHBondContact O-CA 3.21Å; I6-V59 HydrophobicContact CG1-CG1 4.23Å; E44-V59 WeakPolarHBondContact CA-O 3.49Å; F45-V59 HydrophobicContact CD1-CB 4.4Å; F45-V59 HydrophobicContact CD2-CB 4.16Å; F45-V59 HydrophobicContact CD2-CG2 4.42Å; F45-V59 HydrophobicContact CE1-CB 4.07Å; F45-V59 HydrophobicContact CE1-CG1 3.85Å; F45-V59 HydrophobicContact CE2-CB 3.79Å; F45-V59 HydrophobicContact CE2-CG1 4.08Å; F45-V59 HydrophobicContact CE2-CG2 3.93Å; F45-V59 HydrophobicContact CG-CB 4.45Å; F45-V59 HydrophobicContact CZ-CB 3.76Å; F45-V59 HydrophobicContact CZ-CG1 3.55Å; F45-V59 HydrophobicContact CZ-CG2 4.27Å; F45-V59 PolarHBondContact N-O 3.41Å; F45-V59 VanDerWaalsContact N-O 3.11Å; F45-V59 PolarHBondContact O-N 2.84Å; V59-L61 HydrophobicContact CG1-CB 4.5Å; V59-L165 HydrophobicContact CG1-CD2 4.42Å; V59-L165 HydrophobicContact CG2-CD1 4.04Å; V59-L165 HydrophobicContact CG2-CD2 4.28Å |
| 60 | E | 97.3 | Very high | 86.2 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 103.5 | 162.1 | -74.3 | -172 | 170.3 | 0 | 0 | 108.5 | K3 T4 K5 I6 I42 E44 W62 | K3-E60 WeakPolarHBondContact CE-OE1 3.35Å; K3-E60 IonicContact NZ-OE1 3.46Å; K3-E60 PolarHBondContact NZ-OE1 2.89Å; T4-E60 PolarHBondContact O-N 3.31Å; K5-E60 WeakPolarHBondContact CA-O 3.14Å; I6-E60 PolarHBondContact N-O 2.9Å; I42-E60 HydrophobicContact CG2-CB 4.46Å; E44-E60 HydrophobicContact CG-CG 4.2Å; E60-W62 PolarHBondContact OE2-NE1 3.13Å |
| 61 | L | 97.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.5 | 174.9 | -170.7 | 167.4 | 0 | 0 | 0 | 109.3 | F8 A20 I42 L43 F45 V59 D63 | F8-L61 HydrophobicContact CB-CD2 4.37Å; F8-L61 HydrophobicContact CD1-CD1 4.47Å; F8-L61 HydrophobicContact CD1-CD2 4.16Å; F8-L61 HydrophobicContact CD1-CG 4.12Å; F8-L61 HydrophobicContact CD2-CD1 4.4Å; F8-L61 HydrophobicContact CD2-CD2 3.92Å; F8-L61 HydrophobicContact CD2-CG 4.46Å; F8-L61 HydrophobicContact CE1-CD1 3.99Å; F8-L61 HydrophobicContact CE1-CD2 4.48Å; F8-L61 HydrophobicContact CE1-CG 4.07Å; F8-L61 HydrophobicContact CE2-CD1 3.91Å; F8-L61 HydrophobicContact CE2-CD2 4.26Å; F8-L61 HydrophobicContact CE2-CG 4.41Å; F8-L61 HydrophobicContact CG-CD2 3.89Å; F8-L61 HydrophobicContact CG-CG 4.35Å; F8-L61 HydrophobicContact CZ-CD1 3.7Å; F8-L61 HydrophobicContact CZ-CG 4.24Å; A20-L61 HydrophobicContact CB-CD1 4.24Å; A20-L61 HydrophobicContact CB-CD2 3.68Å; I42-L61 WeakPolarHBondContact CA-O 3.3Å; L43-L61 HydrophobicContact CB-CB 4.37Å; L43-L61 HydrophobicContact CD1-CD2 4.44Å; L43-L61 PolarHBondContact N-O 3.41Å; L43-L61 PolarHBondContact O-N 3.48Å; F45-L61 HydrophobicContact CE1-CB 3.94Å; F45-L61 HydrophobicContact CE1-CD1 4.07Å; F45-L61 HydrophobicContact CZ-CD1 4.45Å; V59-L61 HydrophobicContact CG1-CB 4.5Å; L61-D63 HydrophobicContact CD2-CB 4.19Å |
| 62 | W | 98 | Very high | 89 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 94.3 | 179.3 | -70 | 45.9 | 0 | 0 | 0 | 109.2 | K5 I6 L7 F8 V40 R41 I42 E60 C64 L77 | K5-W62 HydrophobicContact CD-CD2 4.48Å; K5-W62 HydrophobicContact CD-CZ2 4.15Å; K5-W62 VanDerWaalsContact CE-CE2 3.5Å; K5-W62 HydrophobicContact CG-CG 4.48Å; I6-W62 PolarHBondContact O-N 3.03Å; L7-W62 HydrophobicContact CD2-CB 3.56Å; L7-W62 HydrophobicContact CD2-CD2 4.18Å; L7-W62 HydrophobicContact CD2-CE3 4.23Å; L7-W62 HydrophobicContact CD2-CG 3.91Å; F8-W62 PolarHBondContact N-O 3.32Å; V40-W62 HydrophobicContact CG2-CB 4.01Å; V40-W62 HydrophobicContact CG2-CD2 4.39Å; V40-W62 HydrophobicContact CG2-CE3 3.93Å; V40-W62 HydrophobicContact CG2-CG 4.48Å; R41-W62 CarbonylContact O-C 3.41Å; I42-W62 HydrophobicContact CD1-CD2 4.19Å; I42-W62 HydrophobicContact CD1-CH2 4.21Å; I42-W62 HydrophobicContact CD1-CZ2 3.77Å; I42-W62 HydrophobicContact CG1-CD2 4.08Å; I42-W62 HydrophobicContact CG1-CG 4.2Å; E60-W62 PolarHBondContact OE2-NE1 3.13Å; W62-C64 PolarHBondContact O-N 2.96Å; W62-C64 PolarHBondContact O-SG 2.93Å; W62-L77 HydrophobicContact CE3-CB 4.44Å; W62-L77 HydrophobicContact CE3-CD2 3.81Å; W62-L77 HydrophobicContact CZ3-CD2 3.64Å |
| 63 | D | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 99.8 | 173 | 177 | 19.5 | 0 | 0 | 0 | 109.3 | T17 A20 V40 R41 L61 | T17-D63 WeakPolarHBondContact CA-OD2 3.37Å; T17-D63 WeakPolarHBondContact CB-OD2 3.37Å; T17-D63 PolarHBondContact OG1-OD1 3.2Å; T17-D63 PolarHBondContact OG1-OD2 3.31Å; A20-D63 HydrophobicContact CB-CB 4.25Å; V40-D63 WeakPolarHBondContact CA-O 3.47Å; R41-D63 HydrophobicContact CB-CB 4.34Å; R41-D63 IonicContact CZ-OD2 2.76Å; R41-D63 PolarHBondContact N-O 3.29Å; R41-D63 IonicContact NE-OD2 3.81Å; R41-D63 PolarHBondContact NE-OD2 3.02Å; R41-D63 IonicContact NH2-OD2 3.53Å; R41-D63 PolarHBondContact NH2-OD2 2.93Å; R41-D63 PolarHBondContact O-N 3.11Å; L61-D63 HydrophobicContact CD2-CB 4.19Å |
| 64 | C | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 146.2 | -173.7 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | F8 V9 K16 W62 L77 | F8-C64 WeakPolarHBondContact O-CB 3.1Å; F8-C64 PolarHBondContact O-N 2.83Å; V9-C64 HydrophobicContact CG1-CB 4.28Å; K16-C64 WeakPolarHBondContact CE-O 3.23Å; W62-C64 PolarHBondContact O-N 2.96Å; W62-C64 PolarHBondContact O-SG 2.93Å; C64-L77 HydrophobicContact CB-CD1 4.28Å |
| 65 | S | 97.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | trans | -61.9 | 139.6 | 171.1 | -165 | 0 | 0 | 0 | 0 | 111.4 | T37 G39 D67 F70 | T37-S65 WeakPolarHBondContact O-CB 3.39Å; T37-S65 PolarHBondContact O-OG 3Å; G39-S65 VanDerWaalsContact O-CB 3.31Å; G39-S65 WeakPolarHBondContact O-CB 3.49Å; G39-S65 PolarHBondContact O-N 3.4Å; S65-D67 VanDerWaalsContact C-N 3.26Å; S65-D67 PolarHBondContact OG-N 3.35Å; S65-F70 VanDerWaalsContact CB-CD2 3.46Å; S65-F70 WeakPolarHBondContact OG-CD2 3.48Å; S65-F70 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 66 | G | 95.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | trans | -82.4 | -2.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G10 W102 | G10-G66 WeakPolarHBondContact O-CA 3.21Å; G66-W102 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 67 | D | 96.1 | Very high | 95.2 | Very high | 50 Ų | 50 | 40.6 Ų | 40.6 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | trans | -85.9 | 120.5 | -176.8 | -171.7 | -22.1 | 0 | 0 | 0 | 110.5 | T12 S65 K69 F70 | T12-D67 HydrophobicContact CG2-CB 4.21Å; S65-D67 VanDerWaalsContact C-N 3.26Å; S65-D67 PolarHBondContact OG-N 3.35Å; D67-K69 HydrophobicContact CB-CG 4.3Å; D67-K69 PolarHBondContact O-N 3.48Å; D67-K69 VanDerWaalsContact O-N 3.08Å; D67-K69 WeakPolarHBondContact OD1-CB 3.48Å; D67-K69 WeakPolarHBondContact OD1-CG 3.27Å; D67-K69 PolarHBondContact OD1-N 2.96Å; D67-K69 WeakPolarHBondContact OD2-CD 3.37Å; D67-K69 WeakPolarHBondContact OD2-CE 3.27Å; D67-K69 IonicContact OD2-NZ 3.88Å; D67-K69 PolarHBondContact OD2-NZ 3.19Å; D67-F70 HydrophobicContact CB-CD2 4.12Å; D67-F70 HydrophobicContact CB-CE2 4.32Å; D67-F70 PolarHBondContact O-N 2.97Å; D67-F70 VanDerWaalsContact O-N 3.12Å | ||
| 68 | F | 94.8 | Very high | 95.5 | Very high | 80 Ų | 80 | 41.3 Ų | 41.3 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -61.9 | -15.1 | -179.1 | -85.2 | -115 | 0 | 0 | 0 | 113.2 | F70 E71 W74 T101 W102 I105 | F68-F70 PolarHBondContact O-N 3.15Å; F68-E71 VanDerWaalsContact O-CB 3.22Å; F68-E71 WeakPolarHBondContact O-CB 3.27Å; F68-E71 VanDerWaalsContact O-CG 3.26Å; F68-E71 WeakPolarHBondContact O-CG 3.46Å; F68-E71 PolarHBondContact O-N 3.36Å; F68-W74 AromaticContact CD1-CH2 3.57Å; F68-W74 HydrophobicContact CD1-CH2 3.57Å; F68-W74 HydrophobicContact CD1-CZ3 4.2Å; F68-W74 HydrophobicContact CD2-CH2 4.09Å; F68-W74 HydrophobicContact CD2-CZ2 4.48Å; F68-W74 AromaticContact CE1-CH2 3.62Å; F68-W74 HydrophobicContact CE1-CH2 3.62Å; F68-W74 HydrophobicContact CE1-CZ3 4.1Å; F68-W74 HydrophobicContact CE2-CH2 4.13Å; F68-W74 AromaticContact CG-CH2 3.82Å; F68-W74 HydrophobicContact CG-CH2 3.82Å; F68-W74 HydrophobicContact CG-CZ2 4.38Å; F68-W74 AromaticContact CZ-CH2 3.9Å; F68-W74 HydrophobicContact CZ-CH2 3.9Å; F68-T101 HydrophobicContact CE1-CG2 4.29Å; F68-T101 HydrophobicContact CZ-CG2 3.93Å; F68-W102 HydrophobicContact CD2-CZ2 4.32Å; F68-W102 HydrophobicContact CE2-CH2 4.44Å; F68-W102 AromaticContact CE2-CZ2 3.77Å; F68-W102 HydrophobicContact CE2-CZ2 3.77Å; F68-I105 HydrophobicContact CE1-CD1 4.34Å |
| 69 | K | 96.3 | Very high | 95.5 | Very high | 120 Ų | 120 | 46 Ų | 46 | 52% | 0.522 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -58.8 | -21.1 | 172.6 | 79.5 | -172.2 | 175.6 | -145.2 | 0 | 113.3 | D67 | D67-K69 HydrophobicContact CB-CG 4.3Å; D67-K69 PolarHBondContact O-N 3.48Å; D67-K69 VanDerWaalsContact O-N 3.08Å; D67-K69 WeakPolarHBondContact OD1-CB 3.48Å; D67-K69 WeakPolarHBondContact OD1-CG 3.27Å; D67-K69 PolarHBondContact OD1-N 2.96Å; D67-K69 WeakPolarHBondContact OD2-CD 3.37Å; D67-K69 WeakPolarHBondContact OD2-CE 3.27Å; D67-K69 IonicContact OD2-NZ 3.88Å; D67-K69 PolarHBondContact OD2-NZ 3.19Å |
| 70 | F | 95.7 | Very high | 95.3 | Very high | 44 Ų | 44 | 52 Ų | 52 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -92.2 | 8.8 | 176.2 | -60.2 | -68.4 | 0 | 0 | 0 | 113.4 | Q38 G39 S65 D67 F68 S72 C73 | Q38-F70 HydrophobicContact CB-CZ 4.34Å; G39-F70 VanDerWaalsContact N-CE2 3.32Å; S65-F70 VanDerWaalsContact CB-CD2 3.46Å; S65-F70 WeakPolarHBondContact OG-CD2 3.48Å; S65-F70 WeakPolarHBondContact OG-CE2 3.49Å; D67-F70 HydrophobicContact CB-CD2 4.12Å; D67-F70 HydrophobicContact CB-CE2 4.32Å; D67-F70 PolarHBondContact O-N 2.97Å; D67-F70 VanDerWaalsContact O-N 3.12Å; F68-F70 PolarHBondContact O-N 3.15Å; F70-S72 PolarHBondContact O-N 3.38Å; F70-C73 PolarHBondContact O-N 3.17Å; F70-C73 PolarHBondContact O-SG 2.95Å |
| 71 | E | 94.8 | Very high | 95.2 | Very high | 114 Ų | 114 | 51.2 Ų | 51.2 | 53% | 0.533 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -55 | -31.7 | -176.7 | 67.4 | -178.8 | -169.5 | 0 | 0 | 113.9 | F68 C73 W74 | F68-E71 VanDerWaalsContact O-CB 3.22Å; F68-E71 WeakPolarHBondContact O-CB 3.27Å; F68-E71 VanDerWaalsContact O-CG 3.26Å; F68-E71 WeakPolarHBondContact O-CG 3.46Å; F68-E71 PolarHBondContact O-N 3.36Å; E71-C73 PolarHBondContact O-N 2.99Å; E71-C73 VanDerWaalsContact O-N 3.16Å; E71-W74 HydrophobicContact CB-CD2 4.03Å; E71-W74 HydrophobicContact CB-CE3 3.79Å; E71-W74 HydrophobicContact CB-CH2 4.02Å; E71-W74 HydrophobicContact CB-CZ2 4.22Å; E71-W74 HydrophobicContact CB-CZ3 3.75Å; E71-W74 WeakPolarHBondContact O-CB 3.38Å; E71-W74 PolarHBondContact O-N 3.32Å; E71-W74 VanDerWaalsContact O-N 3.08Å |
| 72 | S | 94.3 | Very high | 95.1 | Very high | 109 Ų | 109 | 51.5 Ų | 51.5 | 76% | 0.762 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -59.4 | -26 | 178.7 | 61 | 0 | 0 | 0 | 0 | 113.8 | F70 | F70-S72 PolarHBondContact O-N 3.38Š|
| 73 | C | 92.2 | Very high | 95 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 28% | 0.284 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -93.7 | -10.7 | 178.4 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | F70 E71 P75 A76 L77 | F70-C73 PolarHBondContact O-N 3.17Å; F70-C73 PolarHBondContact O-SG 2.95Å; E71-C73 PolarHBondContact O-N 2.99Å; E71-C73 VanDerWaalsContact O-N 3.16Å; C73-P75 VanDerWaalsContact C-CD 3.48Å; C73-A76 WeakPolarHBondContact O-CB 3.5Å; C73-A76 PolarHBondContact O-N 3.48Å; C73-L77 WeakPolarHBondContact O-CG 3.24Å; C73-L77 PolarHBondContact O-N 2.67Å; C73-L77 VanDerWaalsContact O-N 3.15Å |
| 74 | W | 94.5 | Very high | 95 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.1 | -39.7 | -176.6 | -65.8 | -9.7 | 0 | 0 | 0 | 114.7 | F68 E71 A76 L77 M78 W102 I105 F106 | F68-W74 AromaticContact CD1-CH2 3.57Å; F68-W74 HydrophobicContact CD1-CH2 3.57Å; F68-W74 HydrophobicContact CD1-CZ3 4.2Å; F68-W74 HydrophobicContact CD2-CH2 4.09Å; F68-W74 HydrophobicContact CD2-CZ2 4.48Å; F68-W74 AromaticContact CE1-CH2 3.62Å; F68-W74 HydrophobicContact CE1-CH2 3.62Å; F68-W74 HydrophobicContact CE1-CZ3 4.1Å; F68-W74 HydrophobicContact CE2-CH2 4.13Å; F68-W74 AromaticContact CG-CH2 3.82Å; F68-W74 HydrophobicContact CG-CH2 3.82Å; F68-W74 HydrophobicContact CG-CZ2 4.38Å; F68-W74 AromaticContact CZ-CH2 3.9Å; F68-W74 HydrophobicContact CZ-CH2 3.9Å; E71-W74 HydrophobicContact CB-CD2 4.03Å; E71-W74 HydrophobicContact CB-CE3 3.79Å; E71-W74 HydrophobicContact CB-CH2 4.02Å; E71-W74 HydrophobicContact CB-CZ2 4.22Å; E71-W74 HydrophobicContact CB-CZ3 3.75Å; E71-W74 WeakPolarHBondContact O-CB 3.38Å; E71-W74 PolarHBondContact O-N 3.32Å; E71-W74 VanDerWaalsContact O-N 3.08Å; W74-A76 PolarHBondContact O-N 2.97Å; W74-L77 WeakPolarHBondContact O-CB 3.34Å; W74-L77 PolarHBondContact O-N 3.47Å; W74-M78 HydrophobicContact CB-CE 4.34Å; W74-M78 WeakPolarHBondContact O-CG 3.43Å; W74-M78 PolarHBondContact O-N 2.92Å; W74-W102 HydrophobicContact CH2-CH2 4.08Å; W74-W102 HydrophobicContact CH2-CZ3 4.15Å; W74-W102 AromaticContact CZ2-CH2 3.52Å; W74-W102 HydrophobicContact CZ2-CH2 3.52Å; W74-W102 HydrophobicContact CZ2-CZ2 4.48Å; W74-W102 AromaticContact CZ2-CZ3 3.69Å; W74-W102 HydrophobicContact CZ2-CZ3 3.69Å; W74-I105 HydrophobicContact CE3-CD1 4.47Å; W74-I105 HydrophobicContact CE3-CG2 3.71Å; W74-I105 HydrophobicContact CH2-CD1 4.4Å; W74-I105 HydrophobicContact CZ3-CD1 3.73Å; W74-I105 HydrophobicContact CZ3-CG2 4.06Å; W74-F106 HydrophobicContact CB-CE1 4.42Å; W74-F106 HydrophobicContact CB-CZ 3.9Å; W74-F106 AromaticContact CD1-CZ 3.83Å; W74-F106 AromaticContact CD2-CE2 3.81Å; W74-F106 HydrophobicContact CD2-CE2 3.81Å; W74-F106 AromaticContact CD2-CZ 3.67Å; W74-F106 HydrophobicContact CD2-CZ 3.67Å; W74-F106 HydrophobicContact CE3-CE2 4.03Å; W74-F106 HydrophobicContact CE3-CZ 4.3Å; W74-F106 HydrophobicContact CG-CE1 4.42Å; W74-F106 HydrophobicContact CG-CE2 4.16Å; W74-F106 AromaticContact CG-CZ 3.53Å; W74-F106 HydrophobicContact CG-CZ 3.53Å |
| 75 | P | 94.1 | Very high | 95.1 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.2 | -36.2 | 174.3 | -26.7 | 36.4 | 0 | 0 | 0 | 113.4 | C73 K79 | C73-P75 VanDerWaalsContact C-CD 3.48Å; P75-K79 PolarHBondContact O-N 3.38Å |
| 76 | A | 93.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 55% | 0.554 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.1 | -35.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | C73 W74 | C73-A76 WeakPolarHBondContact O-CB 3.5Å; C73-A76 PolarHBondContact O-N 3.48Å; W74-A76 PolarHBondContact O-N 2.97Å |
| 77 | L | 94.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 175.1 | -50.9 | -174.7 | 0 | 0 | 0 | 111 | K5 V40 W62 C64 C73 W74 K79 | K5-L77 WeakPolarHBondContact CE-O 3.49Å; K5-L77 PolarHBondContact NZ-O 2.82Å; V40-L77 HydrophobicContact CB-CD2 4.12Å; V40-L77 HydrophobicContact CG1-CD2 3.93Å; V40-L77 HydrophobicContact CG2-CD2 4.35Å; W62-L77 HydrophobicContact CE3-CB 4.44Å; W62-L77 HydrophobicContact CE3-CD2 3.81Å; W62-L77 HydrophobicContact CZ3-CD2 3.64Å; C64-L77 HydrophobicContact CB-CD1 4.28Å; C73-L77 WeakPolarHBondContact O-CG 3.24Å; C73-L77 PolarHBondContact O-N 2.67Å; C73-L77 VanDerWaalsContact O-N 3.15Å; W74-L77 WeakPolarHBondContact O-CB 3.34Å; W74-L77 PolarHBondContact O-N 3.47Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 2.94Å |
| 78 | M | 94.6 | Very high | 95.2 | Very high | 17 Ų | 17 | 46.7 Ų | 46.7 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -27.3 | -178.2 | -70.2 | -174.7 | -68.2 | 0 | 0 | 113.9 | L7 W74 D80 C81 I105 F106 Q110 | L7-M78 HydrophobicContact CD1-CG 4.38Å; W74-M78 HydrophobicContact CB-CE 4.34Å; W74-M78 WeakPolarHBondContact O-CG 3.43Å; W74-M78 PolarHBondContact O-N 2.92Å; M78-D80 PolarHBondContact O-N 3.45Å; M78-C81 WeakPolarHBondContact O-CB 3.5Å; M78-C81 PolarHBondContact O-N 3.05Å; M78-C81 VanDerWaalsContact O-N 3.14Å; M78-C81 PolarHBondContact O-SG 3.46Å; M78-I105 VanDerWaalsContact SD-O 3.33Å; M78-F106 HydrophobicContact CG-CD1 3.52Å; M78-F106 HydrophobicContact CG-CE1 3.74Å; M78-F106 HydrophobicContact CG-CG 4.41Å; M78-F106 HydrophobicContact SD-CD1 3.86Å; M78-F106 HydrophobicContact SD-CE1 4.26Å; M78-F106 HydrophobicContact SD-CG 4.2Å; M78-Q110 HydrophobicContact SD-CG 4.45Å |
| 79 | K | 92.9 | Very high | 95.2 | Very high | 135 Ų | 135 | 43 Ų | 43 | 59% | 0.587 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 127.6 | -179.6 | -173.3 | -178.7 | 175.9 | -174.1 | 0 | 111 | K5 P75 L77 C81 | K5-K79 PolarHBondContact NZ-O 3.05Å; P75-K79 PolarHBondContact O-N 3.38Å; L77-K79 VanDerWaalsContact C-N 3.3Å; L77-K79 PolarHBondContact O-N 2.94Å; K79-C81 PolarHBondContact O-N 3.22Å; K79-C81 VanDerWaalsContact O-N 3.15Å |
| 80 | D | 91.5 | Very high | 95 | Very high | 128 Ų | 128 | 38.1 Ų | 38.1 | 68% | 0.684 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 26.8 | 177.5 | -49.9 | -36.9 | 0 | 0 | 0 | 113.6 | M78 | M78-D80 PolarHBondContact O-N 3.45Š|
| 81 | C | 94.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 10% | 0.095 | 23% | 0.226 | C | C | . | . | trans | -68.7 | 135.6 | 173.4 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | L7 M78 K79 | L7-C81 HydrophobicContact CD1-CB 3.74Å; L7-C81 HydrophobicContact CG-CB 3.85Å; M78-C81 WeakPolarHBondContact O-CB 3.5Å; M78-C81 PolarHBondContact O-N 3.05Å; M78-C81 VanDerWaalsContact O-N 3.14Å; M78-C81 PolarHBondContact O-SG 3.46Å; K79-C81 PolarHBondContact O-N 3.22Å; K79-C81 VanDerWaalsContact O-N 3.15Å | ||
| 82 | S | 95.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -88.9 | -25.9 | 179 | -46.7 | 0 | 0 | 0 | 0 | 111.8 | K5 Q116 V168 | K5-S82 PolarHBondContact N-OG 3.33Å; K5-S82 WeakPolarHBondContact O-CA 3.45Å; K5-S82 WeakPolarHBondContact O-CB 3.5Å; K5-S82 PolarHBondContact O-N 2.99Å; S82-Q116 PolarHBondContact O-NE2 3.17Å; S82-V168 VanDerWaalsContact O-CG1 3.27Å; S82-V168 WeakPolarHBondContact O-CG1 3.46Å |
| 83 | G | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 160 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K5 I6 L7 Q116 Y164 | K5-G83 PolarHBondContact O-N 2.84Å; I6-G83 WeakPolarHBondContact CA-O 3.49Å; L7-G83 PolarHBondContact N-O 2.88Å; G83-Q116 CarbonylContact C-O 3.57Å; G83-Q116 WeakPolarHBondContact CA-O 3.39Å; G83-Y164 VanDerWaalsContact CA-OH 3.3Å; G83-Y164 WeakPolarHBondContact CA-OH 3.44Å |
| 84 | V | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.7 | -179.1 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | L7 V9 I86 F106 I107 L112 Q116 C117 L118 Y164 | L7-V84 HydrophobicContact CB-CG2 4.34Å; L7-V84 HydrophobicContact CD1-CG2 4.39Å; V9-V84 HydrophobicContact CG2-CG1 3.75Å; V84-I86 HydrophobicContact CG1-CG1 4.27Å; V84-F106 HydrophobicContact CG1-CB 4.19Å; V84-I107 HydrophobicContact CB-CG1 4.23Å; V84-I107 HydrophobicContact CG1-CD1 4.43Å; V84-I107 HydrophobicContact CG1-CG1 4.1Å; V84-L112 HydrophobicContact CB-CD1 4.31Å; V84-L112 HydrophobicContact CG2-CD1 3.55Å; V84-Q116 PolarHBondContact N-O 2.96Å; V84-C117 CarbonylContact O-C 3.57Å; V84-C117 WeakPolarHBondContact O-CA 3.45Å; V84-L118 PolarHBondContact O-N 3.45Å; V84-Y164 PolarHBondContact N-OH 3.47Å; V84-Y164 VanDerWaalsContact N-OH 3.12Å; V84-Y164 PolarHBondContact O-OH 3.25Å |
| 85 | V | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.8 | 171.9 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | I6 L7 F8 V9 I87 L118 I120 F161 Y164 | I6-V85 HydrophobicContact CG2-CG2 3.79Å; L7-V85 PolarHBondContact O-N 3Å; F8-V85 HydrophobicContact CD1-CB 3.69Å; F8-V85 HydrophobicContact CD1-CG1 4.4Å; F8-V85 HydrophobicContact CD1-CG2 3.94Å; F8-V85 HydrophobicContact CE1-CB 3.69Å; F8-V85 HydrophobicContact CE1-CG1 4.14Å; F8-V85 HydrophobicContact CE1-CG2 3.56Å; V9-V85 PolarHBondContact N-O 3.43Å; V85-I87 HydrophobicContact CG1-CD1 4.26Å; V85-I87 HydrophobicContact CG1-CG1 3.85Å; V85-L118 CarbonylContact C-O 3.54Å; V85-L118 WeakPolarHBondContact CA-O 3.44Å; V85-L118 HydrophobicContact CG1-CB 4.26Å; V85-L118 HydrophobicContact CG1-CD2 4.02Å; V85-L118 HydrophobicContact CG1-CG 4.14Å; V85-L118 HydrophobicContact CG2-CB 4.17Å; V85-L118 HydrophobicContact CG2-CD2 4.15Å; V85-I120 HydrophobicContact CG1-CD1 3.56Å; V85-I120 HydrophobicContact CG1-CG1 3.7Å; V85-F161 HydrophobicContact CG2-CE2 4.29Å; V85-Y164 HydrophobicContact CG2-CD1 4.45Å; V85-Y164 HydrophobicContact CG2-CE1 3.73Å |
| 86 | I | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.4 | 173.6 | -52.3 | -179.2 | 0 | 0 | 0 | 108.3 | V9 V84 I99 W102 H103 I107 L118 L119 I120 | V9-I86 HydrophobicContact CG2-CB 4.49Å; V9-I86 HydrophobicContact CG2-CG1 3.9Å; V9-I86 CarbonylContact O-C 3.55Å; V9-I86 WeakPolarHBondContact O-CA 3.39Å; V84-I86 HydrophobicContact CG1-CG1 4.27Å; I86-I99 HydrophobicContact CG2-CB 4Å; I86-I99 HydrophobicContact CG2-CG2 3.62Å; I86-W102 HydrophobicContact CD1-CB 4.35Å; I86-W102 HydrophobicContact CG2-CB 4.25Å; I86-H103 HydrophobicContact CD1-CB 3.88Å; I86-I107 HydrophobicContact CD1-CD1 3.67Å; I86-I107 HydrophobicContact CG1-CD1 4.21Å; I86-L118 PolarHBondContact N-O 3.41Å; I86-L119 HydrophobicContact CB-CD2 3.72Å; I86-L119 HydrophobicContact CD1-CD2 4.08Å; I86-L119 HydrophobicContact CG1-CD2 4.2Å; I86-L119 HydrophobicContact CG2-CD2 4.44Å; I86-L119 WeakPolarHBondContact O-CA 3.34Å; I86-I120 PolarHBondContact O-N 2.79Å |
| 87 | I | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126 | -178.3 | -50.1 | -176.2 | 0 | 0 | 0 | 109.2 | F8 V9 S14 K16 V19 V85 I120 H122 | F8-I87 HydrophobicContact CB-CD1 4.37Å; F8-I87 HydrophobicContact CD1-CD1 4.48Å; F8-I87 HydrophobicContact CD2-CD1 3.26Å; F8-I87 HydrophobicContact CE2-CD1 3.47Å; F8-I87 VanDerWaalsContact CE2-CD1 3.47Å; F8-I87 HydrophobicContact CG-CD1 3.81Å; F8-I87 HydrophobicContact CZ-CD1 4.17Å; V9-I87 PolarHBondContact O-N 2.95Å; S14-I87 WeakPolarHBondContact CB-O 3.48Å; S14-I87 PolarHBondContact OG-O 2.68Å; K16-I87 HydrophobicContact CB-CD1 4.43Å; K16-I87 HydrophobicContact CG-CB 3.77Å; K16-I87 HydrophobicContact CG-CD1 4.09Å; K16-I87 HydrophobicContact CG-CG1 4.24Å; K16-I87 HydrophobicContact CG-CG2 4.36Å; V19-I87 HydrophobicContact CB-CD1 4.2Å; V19-I87 HydrophobicContact CG1-CD1 4.2Å; V85-I87 HydrophobicContact CG1-CD1 4.26Å; V85-I87 HydrophobicContact CG1-CG1 3.85Å; I87-I120 WeakPolarHBondContact CA-O 3.32Å; I87-I120 HydrophobicContact CD1-CD1 4.37Å; I87-I120 HydrophobicContact CG1-CB 4.14Å; I87-I120 HydrophobicContact CG1-CD1 4.42Å; I87-I120 HydrophobicContact CG2-CB 4.35Å; I87-I120 HydrophobicContact CG2-CG2 4.44Å; I87-H122 HydrophobicContact CG2-CB 4.02Å |
| 88 | F | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.8 | 179.9 | 69.3 | -79.4 | 0 | 0 | 0 | 110.7 | P90 H95 L96 I99 L119 I120 A121 H122 L134 L136 L145 | F88-P90 HydrophobicContact CD2-CB 4.45Å; F88-P90 HydrophobicContact CE2-CB 4.01Å; F88-H95 HydrophobicContact CB-CB 4.15Å; F88-L96 HydrophobicContact CD2-CD2 4.22Å; F88-L96 HydrophobicContact CE2-CD2 3.64Å; F88-L96 HydrophobicContact CZ-CD2 4.4Å; F88-I99 HydrophobicContact CB-CG2 3.47Å; F88-I99 VanDerWaalsContact CB-CG2 3.47Å; F88-I99 HydrophobicContact CD1-CD1 4.07Å; F88-I99 HydrophobicContact CD1-CG2 3.82Å; F88-I99 HydrophobicContact CD2-CD1 4.35Å; F88-I99 HydrophobicContact CE1-CD1 3.98Å; F88-I99 HydrophobicContact CE2-CD1 4.26Å; F88-I99 HydrophobicContact CG-CD1 4.25Å; F88-I99 HydrophobicContact CG-CG2 3.7Å; F88-I99 HydrophobicContact CZ-CD1 4.07Å; F88-L119 HydrophobicContact CE1-CB 4.43Å; F88-I120 WeakPolarHBondContact CD1-O 3.36Å; F88-I120 PolarHBondContact N-O 3.15Å; F88-A121 HydrophobicContact CE1-CB 4.15Å; F88-A121 HydrophobicContact CE2-CB 4.11Å; F88-A121 HydrophobicContact CZ-CB 3.73Å; F88-A121 CarbonylContact O-C 3.59Å; F88-A121 WeakPolarHBondContact O-CA 3.34Å; F88-H122 PolarHBondContact O-N 3.39Å; F88-L134 HydrophobicContact CE2-CD1 3.81Å; F88-L134 HydrophobicContact CZ-CD1 3.61Å; F88-L136 HydrophobicContact CZ-CD2 4.28Å; F88-L145 HydrophobicContact CE1-CD1 4.22Å; F88-L145 HydrophobicContact CZ-CD1 4.28Å |
| 89 | N | 93.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | trans | -90.4 | 119.9 | 167.6 | 172.7 | -59.8 | 0 | 0 | 0 | 108.5 | D91 I92 H95 H122 | N89-D91 VanDerWaalsContact C-N 3.32Å; N89-D91 PolarHBondContact ND2-OD2 2.94Å; N89-D91 VanDerWaalsContact OD1-CA 3.29Å; N89-D91 WeakPolarHBondContact OD1-CA 3.39Å; N89-D91 WeakPolarHBondContact OD1-CB 3.47Å; N89-D91 PolarHBondContact OD1-N 3.3Å; N89-D91 PolarHBondContact OD1-OD2 2.87Å; N89-I92 HydrophobicContact CB-CD1 4.23Å; N89-I92 PolarHBondContact O-N 3.21Å; N89-I92 PolarHBondContact OD1-N 2.86Å; N89-I92 VanDerWaalsContact OD1-N 3.1Å; N89-H95 PolarHBondContact N-ND1 2.94Å; N89-H95 VanDerWaalsContact N-ND1 3.17Å; N89-H95 WeakPolarHBondContact O-CB 3.46Å; N89-H95 PolarHBondContact O-ND1 2.66Å; N89-H122 WeakPolarHBondContact CA-O 2.96Å; N89-H122 PolarHBondContact ND2-O 3.14Å | ||
| 90 | P | 91.9 | Very high | 94.2 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -19.8 | -177.5 | 31 | -35.6 | 0 | 0 | 0 | 113.8 | F88 I92 A121 H123 L134 | F88-P90 HydrophobicContact CD2-CB 4.45Å; F88-P90 HydrophobicContact CE2-CB 4.01Å; P90-I92 PolarHBondContact O-N 2.78Å; P90-A121 HydrophobicContact CG-CB 4.18Å; P90-H123 WeakPolarHBondContact CG-CE1 3.45Å; P90-H123 VanDerWaalsContact CG-ND1 3.28Å; P90-H123 WeakPolarHBondContact CG-ND1 3.18Å; P90-L134 HydrophobicContact CB-CD1 4.19Å; P90-L134 HydrophobicContact CB-CD2 3.76Å |
| 91 | D | 88.8 | Confident | 94.4 | Very high | 68 Ų | 68 | 34.6 Ų | 34.6 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -15 | 176.7 | -42.3 | -51.2 | 0 | 0 | 0 | 112.4 | N89 P93 H123 C127 | N89-D91 VanDerWaalsContact C-N 3.32Å; N89-D91 PolarHBondContact ND2-OD2 2.94Å; N89-D91 VanDerWaalsContact OD1-CA 3.29Å; N89-D91 WeakPolarHBondContact OD1-CA 3.39Å; N89-D91 WeakPolarHBondContact OD1-CB 3.47Å; N89-D91 PolarHBondContact OD1-N 3.3Å; N89-D91 PolarHBondContact OD1-OD2 2.87Å; D91-P93 WeakPolarHBondContact O-CD 3.12Å; D91-H123 IonicContact OD1-ND1 3.16Å; D91-C127 PolarHBondContact OD2-SG 3.04Å |
| 92 | I | 90.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 34 Ų | 34 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -98.9 | 105.3 | 175.7 | -62.1 | 172.9 | 0 | 0 | 0 | 108.3 | N89 P90 S94 H95 | N89-I92 HydrophobicContact CB-CD1 4.23Å; N89-I92 PolarHBondContact O-N 3.21Å; N89-I92 PolarHBondContact OD1-N 2.86Å; N89-I92 VanDerWaalsContact OD1-N 3.1Å; P90-I92 PolarHBondContact O-N 2.78Å; I92-S94 WeakPolarHBondContact CG2-OG 3.42Å; I92-S94 PolarHBondContact O-N 2.83Å; I92-S94 VanDerWaalsContact O-N 3.11Å; I92-H95 HydrophobicContact CB-CB 4.49Å; I92-H95 VanDerWaalsContact CD1-CE1 3.45Å; I92-H95 WeakPolarHBondContact CD1-CE1 3.44Å; I92-H95 VanDerWaalsContact O-CB 3.31Å; I92-H95 WeakPolarHBondContact O-CB 3.29Å; I92-H95 PolarHBondContact O-N 2.8Å |
| 93 | P | 88.6 | Confident | 94.4 | Very high | 108 Ų | 108 | 34.6 Ų | 34.6 | 70% | 0.701 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.3 | -28.9 | -172 | -27.1 | 36.4 | 0 | 0 | 0 | 114.5 | D91 H95 | D91-P93 WeakPolarHBondContact O-CD 3.12Å; P93-H95 PolarHBondContact O-N 3.06Å |
| 94 | S | 93.4 | Very high | 94.3 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 43% | 0.427 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.9 | -31.5 | 178.1 | 70.4 | 0 | 0 | 0 | 0 | 112.1 | I92 L96 K97 E98 | I92-S94 WeakPolarHBondContact CG2-OG 3.42Å; I92-S94 PolarHBondContact O-N 2.83Å; I92-S94 VanDerWaalsContact O-N 3.11Å; S94-L96 VanDerWaalsContact C-N 3.29Å; S94-L96 PolarHBondContact O-N 3.14Å; S94-K97 PolarHBondContact O-N 2.87Å; S94-K97 VanDerWaalsContact O-N 3.08Å; S94-E98 WeakPolarHBondContact CB-OE1 3.15Å; S94-E98 WeakPolarHBondContact O-CG 3.32Å; S94-E98 PolarHBondContact O-N 3.24Å; S94-E98 PolarHBondContact OG-OE1 2.91Å |
| 95 | H | 95.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -36.8 | -176.5 | -74.1 | -176.1 | 0 | 0 | 0 | 112.7 | P11 T12 F88 N89 I92 P93 K97 E98 I99 | P11-H95 WeakPolarHBondContact CB-CD2 3.31Å; P11-H95 WeakPolarHBondContact CB-NE2 3.43Å; P11-H95 HydrophobicContact CG-CB 4.08Å; T12-H95 PolarHBondContact O-NE2 3.42Å; F88-H95 HydrophobicContact CB-CB 4.15Å; N89-H95 PolarHBondContact N-ND1 2.94Å; N89-H95 VanDerWaalsContact N-ND1 3.17Å; N89-H95 WeakPolarHBondContact O-CB 3.46Å; N89-H95 PolarHBondContact O-ND1 2.66Å; I92-H95 HydrophobicContact CB-CB 4.49Å; I92-H95 VanDerWaalsContact CD1-CE1 3.45Å; I92-H95 WeakPolarHBondContact CD1-CE1 3.44Å; I92-H95 VanDerWaalsContact O-CB 3.31Å; I92-H95 WeakPolarHBondContact O-CB 3.29Å; I92-H95 PolarHBondContact O-N 2.8Å; P93-H95 PolarHBondContact O-N 3.06Å; H95-K97 PolarHBondContact O-N 3.06Å; H95-E98 IonicContact CD2-OE1 3.69Å; H95-E98 PolarHBondContact O-N 3.2Å; H95-E98 VanDerWaalsContact O-N 3.1Å; H95-I99 WeakPolarHBondContact O-CG1 3.44Å; H95-I99 WeakPolarHBondContact O-CG2 3.44Å; H95-I99 PolarHBondContact O-N 3.38Å |
| 96 | L | 90.7 | Very high | 93.9 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -34.3 | 178 | -70 | 174.8 | 0 | 0 | 0 | 112.4 | F88 S94 I99 P135 L136 | F88-L96 HydrophobicContact CD2-CD2 4.22Å; F88-L96 HydrophobicContact CE2-CD2 3.64Å; F88-L96 HydrophobicContact CZ-CD2 4.4Å; S94-L96 VanDerWaalsContact C-N 3.29Å; S94-L96 PolarHBondContact O-N 3.14Å; L96-I99 HydrophobicContact CD2-CD1 4.31Å; L96-I99 WeakPolarHBondContact O-CG1 3.5Å; L96-P135 HydrophobicContact CD1-CG 4.03Å; L96-L136 HydrophobicContact CD2-CD2 4.05Å |
| 97 | K | 91.2 | Very high | 93.6 | Very high | 159 Ų | 159 | 40.2 Ų | 40.2 | 69% | 0.691 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -78.7 | -38.2 | 174.1 | -173.4 | 177.2 | -179.3 | -178.9 | 0 | 111.7 | S94 H95 E100 | S94-K97 PolarHBondContact O-N 2.87Å; S94-K97 VanDerWaalsContact O-N 3.08Å; H95-K97 PolarHBondContact O-N 3.06Å; K97-E100 WeakPolarHBondContact O-CB 3.36Å; K97-E100 PolarHBondContact O-N 3.07Å |
| 98 | E | 95.2 | Very high | 93.1 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.9 | -37.2 | -180 | -68.8 | 172.8 | -116.8 | 0 | 0 | 111.9 | P11 S94 H95 E100 T101 W102 | P11-E98 WeakPolarHBondContact CB-OE2 3.41Å; P11-E98 HydrophobicContact CG-CB 3.67Å; S94-E98 WeakPolarHBondContact CB-OE1 3.15Å; S94-E98 WeakPolarHBondContact O-CG 3.32Å; S94-E98 PolarHBondContact O-N 3.24Å; S94-E98 PolarHBondContact OG-OE1 2.91Å; H95-E98 IonicContact CD2-OE1 3.69Å; H95-E98 PolarHBondContact O-N 3.2Å; H95-E98 VanDerWaalsContact O-N 3.1Å; E98-E100 PolarHBondContact O-N 3.46Å; E98-T101 WeakPolarHBondContact O-CA 3.46Å; E98-T101 WeakPolarHBondContact O-CB 3.3Å; E98-T101 PolarHBondContact O-N 3.35Å; E98-W102 PolarHBondContact O-N 2.8Å |
| 99 | I | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -26.9 | 178.1 | 58.1 | 173.5 | 0 | 0 | 0 | 113.5 | I86 F88 H95 L96 T101 W102 H103 L136 L140 | I86-I99 HydrophobicContact CG2-CB 4Å; I86-I99 HydrophobicContact CG2-CG2 3.62Å; F88-I99 HydrophobicContact CB-CG2 3.47Å; F88-I99 VanDerWaalsContact CB-CG2 3.47Å; F88-I99 HydrophobicContact CD1-CD1 4.07Å; F88-I99 HydrophobicContact CD1-CG2 3.82Å; F88-I99 HydrophobicContact CD2-CD1 4.35Å; F88-I99 HydrophobicContact CE1-CD1 3.98Å; F88-I99 HydrophobicContact CE2-CD1 4.26Å; F88-I99 HydrophobicContact CG-CD1 4.25Å; F88-I99 HydrophobicContact CG-CG2 3.7Å; F88-I99 HydrophobicContact CZ-CD1 4.07Å; H95-I99 WeakPolarHBondContact O-CG1 3.44Å; H95-I99 WeakPolarHBondContact O-CG2 3.44Å; H95-I99 PolarHBondContact O-N 3.38Å; L96-I99 HydrophobicContact CD2-CD1 4.31Å; L96-I99 WeakPolarHBondContact O-CG1 3.5Å; I99-T101 VanDerWaalsContact C-N 3.29Å; I99-W102 PolarHBondContact O-N 3.01Å; I99-H103 WeakPolarHBondContact O-CB 3.49Å; I99-H103 PolarHBondContact O-N 2.78Å; I99-L136 HydrophobicContact CD1-CD2 3.68Å; I99-L140 HydrophobicContact CD1-CD1 3.79Å; I99-L140 HydrophobicContact CG1-CD1 3.74Å |
| 100 | E | 94.9 | Very high | 91.8 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 170.5 | -64.7 | 180 | -138.4 | 0 | 0 | 111.2 | K97 E98 H103 S104 A137 L140 | K97-E100 WeakPolarHBondContact O-CB 3.36Å; K97-E100 PolarHBondContact O-N 3.07Å; E98-E100 PolarHBondContact O-N 3.46Å; E100-H103 PolarHBondContact O-N 3.34Å; E100-S104 WeakPolarHBondContact O-CB 3.2Å; E100-S104 PolarHBondContact O-N 2.91Å; E100-A137 HydrophobicContact CG-CB 3.95Å; E100-L140 HydrophobicContact CG-CD1 3.72Å |
| 101 | T | 95 | Very high | 91.4 | Very high | 62 Ų | 62 | 55.7 Ų | 55.7 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | F68 E98 I99 H103 S104 I105 | F68-T101 HydrophobicContact CE1-CG2 4.29Å; F68-T101 HydrophobicContact CZ-CG2 3.93Å; E98-T101 WeakPolarHBondContact O-CA 3.46Å; E98-T101 WeakPolarHBondContact O-CB 3.3Å; E98-T101 PolarHBondContact O-N 3.35Å; I99-T101 VanDerWaalsContact C-N 3.29Å; T101-H103 PolarHBondContact O-N 2.97Å; T101-S104 WeakPolarHBondContact O-CB 3.4Å; T101-S104 PolarHBondContact O-N 3.25Å; T101-I105 HydrophobicContact CG2-CD1 3.65Å; T101-I105 WeakPolarHBondContact O-CD1 3.47Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.45Å; T101-I105 PolarHBondContact O-N 3.48Å |
| 102 | W | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.9 | -69.7 | 104.3 | 0 | 0 | 0 | 112.2 | V9 G10 G66 F68 W74 I86 E98 I99 I105 F106 | V9-W102 HydrophobicContact CB-CE3 3.84Å; V9-W102 HydrophobicContact CB-CZ3 4.14Å; V9-W102 HydrophobicContact CG2-CE3 4.31Å; G10-W102 VanDerWaalsContact C-CE2 3.41Å; G10-W102 WeakPolarHBondContact O-CZ2 3.04Å; G66-W102 WeakPolarHBondContact O-CZ2 3.46Å; F68-W102 HydrophobicContact CD2-CZ2 4.32Å; F68-W102 HydrophobicContact CE2-CH2 4.44Å; F68-W102 AromaticContact CE2-CZ2 3.77Å; F68-W102 HydrophobicContact CE2-CZ2 3.77Å; W74-W102 HydrophobicContact CH2-CH2 4.08Å; W74-W102 HydrophobicContact CH2-CZ3 4.15Å; W74-W102 AromaticContact CZ2-CH2 3.52Å; W74-W102 HydrophobicContact CZ2-CH2 3.52Å; W74-W102 HydrophobicContact CZ2-CZ2 4.48Å; W74-W102 AromaticContact CZ2-CZ3 3.69Å; W74-W102 HydrophobicContact CZ2-CZ3 3.69Å; I86-W102 HydrophobicContact CD1-CB 4.35Å; I86-W102 HydrophobicContact CG2-CB 4.25Å; E98-W102 PolarHBondContact O-N 2.8Å; I99-W102 PolarHBondContact O-N 3.01Å; W102-I105 PolarHBondContact O-N 3.34Å; W102-F106 AromaticContact CE3-CD2 3.64Å; W102-F106 HydrophobicContact CE3-CD2 3.64Å; W102-F106 AromaticContact CE3-CE2 3.39Å; W102-F106 HydrophobicContact CE3-CE2 3.39Å; W102-F106 HydrophobicContact CE3-CZ 4.33Å; W102-F106 HydrophobicContact CZ3-CD2 4.12Å; W102-F106 AromaticContact CZ3-CE2 3.38Å; W102-F106 HydrophobicContact CZ3-CE2 3.38Å; W102-F106 AromaticContact CZ3-CZ 3.98Å; W102-F106 HydrophobicContact CZ3-CZ 3.98Å; W102-F106 WeakPolarHBondContact O-CB 3.46Å; W102-F106 PolarHBondContact O-N 3Å |
| 103 | H | 95.5 | Very high | 91.5 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 174.6 | 173.2 | -74.7 | 0 | 0 | 0 | 112.2 | I86 I99 E100 T101 I105 I107 S108 N139 L140 | I86-H103 HydrophobicContact CD1-CB 3.88Å; I99-H103 WeakPolarHBondContact O-CB 3.49Å; I99-H103 PolarHBondContact O-N 2.78Å; E100-H103 PolarHBondContact O-N 3.34Å; T101-H103 PolarHBondContact O-N 2.97Å; H103-I105 VanDerWaalsContact C-N 3.29Å; H103-I105 PolarHBondContact O-N 2.98Å; H103-I107 WeakPolarHBondContact O-CA 3.46Å; H103-I107 WeakPolarHBondContact O-CB 3.34Å; H103-I107 PolarHBondContact O-N 2.83Å; H103-S108 PolarHBondContact CE1-OG 3.12Å; H103-S108 PolarHBondContact ND1-OG 2.78Å; H103-S108 PolarHBondContact O-N 3.2Å; H103-S108 PolarHBondContact O-OG 2.81Å; H103-N139 PolarHBondContact ND1-ND2 2.89Å; H103-L140 HydrophobicContact CB-CD2 3.73Å |
| 104 | S | 93.6 | Very high | 91.7 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 46% | 0.462 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -57.5 | -45.3 | 177.1 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | E100 T101 S108 | E100-S104 WeakPolarHBondContact O-CB 3.2Å; E100-S104 PolarHBondContact O-N 2.91Å; T101-S104 WeakPolarHBondContact O-CB 3.4Å; T101-S104 PolarHBondContact O-N 3.25Å; S104-S108 WeakPolarHBondContact O-CB 3.37Å |
| 105 | I | 93.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -75.9 | -48.4 | -174.8 | -64.6 | 160.7 | 0 | 0 | 0 | 112 | F68 W74 M78 T101 W102 H103 T109 | F68-I105 HydrophobicContact CE1-CD1 4.34Å; W74-I105 HydrophobicContact CE3-CD1 4.47Å; W74-I105 HydrophobicContact CE3-CG2 3.71Å; W74-I105 HydrophobicContact CH2-CD1 4.4Å; W74-I105 HydrophobicContact CZ3-CD1 3.73Å; W74-I105 HydrophobicContact CZ3-CG2 4.06Å; M78-I105 VanDerWaalsContact SD-O 3.33Å; T101-I105 HydrophobicContact CG2-CD1 3.65Å; T101-I105 WeakPolarHBondContact O-CD1 3.47Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.45Å; T101-I105 PolarHBondContact O-N 3.48Å; W102-I105 PolarHBondContact O-N 3.34Å; H103-I105 VanDerWaalsContact C-N 3.29Å; H103-I105 PolarHBondContact O-N 2.98Å; I105-T109 WeakPolarHBondContact O-CB 3.4Å; I105-T109 VanDerWaalsContact O-CG2 3.31Å; I105-T109 WeakPolarHBondContact O-CG2 3.46Å; I105-T109 PolarHBondContact O-OG1 2.81Å |
| 106 | F | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -97.9 | -20.4 | -168.6 | -76.6 | -94.7 | 0 | 0 | 0 | 114.8 | L7 V9 W74 M78 V84 W102 Q110 | L7-F106 HydrophobicContact CD1-CD1 4.15Å; L7-F106 HydrophobicContact CD1-CE1 4.42Å; V9-F106 HydrophobicContact CB-CD2 4.48Å; V9-F106 HydrophobicContact CB-CG 4.47Å; V9-F106 HydrophobicContact CG1-CD1 3.71Å; V9-F106 HydrophobicContact CG1-CD2 4.36Å; V9-F106 HydrophobicContact CG1-CE1 3.68Å; V9-F106 HydrophobicContact CG1-CE2 4.35Å; V9-F106 HydrophobicContact CG1-CG 4.04Å; V9-F106 HydrophobicContact CG1-CZ 4Å; V9-F106 HydrophobicContact CG2-CB 4.36Å; V9-F106 HydrophobicContact CG2-CD2 4.46Å; V9-F106 HydrophobicContact CG2-CG 4.25Å; W74-F106 HydrophobicContact CB-CE1 4.42Å; W74-F106 HydrophobicContact CB-CZ 3.9Å; W74-F106 AromaticContact CD1-CZ 3.83Å; W74-F106 AromaticContact CD2-CE2 3.81Å; W74-F106 HydrophobicContact CD2-CE2 3.81Å; W74-F106 AromaticContact CD2-CZ 3.67Å; W74-F106 HydrophobicContact CD2-CZ 3.67Å; W74-F106 HydrophobicContact CE3-CE2 4.03Å; W74-F106 HydrophobicContact CE3-CZ 4.3Å; W74-F106 HydrophobicContact CG-CE1 4.42Å; W74-F106 HydrophobicContact CG-CE2 4.16Å; W74-F106 AromaticContact CG-CZ 3.53Å; W74-F106 HydrophobicContact CG-CZ 3.53Å; M78-F106 HydrophobicContact CG-CD1 3.52Å; M78-F106 HydrophobicContact CG-CE1 3.74Å; M78-F106 HydrophobicContact CG-CG 4.41Å; M78-F106 HydrophobicContact SD-CD1 3.86Å; M78-F106 HydrophobicContact SD-CE1 4.26Å; M78-F106 HydrophobicContact SD-CG 4.2Å; V84-F106 HydrophobicContact CG1-CB 4.19Å; W102-F106 AromaticContact CE3-CD2 3.64Å; W102-F106 HydrophobicContact CE3-CD2 3.64Å; W102-F106 AromaticContact CE3-CE2 3.39Å; W102-F106 HydrophobicContact CE3-CE2 3.39Å; W102-F106 HydrophobicContact CE3-CZ 4.33Å; W102-F106 HydrophobicContact CZ3-CD2 4.12Å; W102-F106 AromaticContact CZ3-CE2 3.38Å; W102-F106 HydrophobicContact CZ3-CE2 3.38Å; W102-F106 AromaticContact CZ3-CZ 3.98Å; W102-F106 HydrophobicContact CZ3-CZ 3.98Å; W102-F106 WeakPolarHBondContact O-CB 3.46Å; W102-F106 PolarHBondContact O-N 3Å; F106-Q110 WeakPolarHBondContact O-CG 3.43Å |
| 107 | I | 92.3 | Very high | 92 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -109.5 | -50.4 | -179.4 | -62.1 | 174.3 | 0 | 0 | 0 | 110.1 | V84 I86 H103 T109 Q110 C117 L143 | V84-I107 HydrophobicContact CB-CG1 4.23Å; V84-I107 HydrophobicContact CG1-CD1 4.43Å; V84-I107 HydrophobicContact CG1-CG1 4.1Å; I86-I107 HydrophobicContact CD1-CD1 3.67Å; I86-I107 HydrophobicContact CG1-CD1 4.21Å; H103-I107 WeakPolarHBondContact O-CA 3.46Å; H103-I107 WeakPolarHBondContact O-CB 3.34Å; H103-I107 PolarHBondContact O-N 2.83Å; I107-T109 VanDerWaalsContact C-N 3.31Å; I107-T109 PolarHBondContact O-N 3.35Å; I107-Q110 PolarHBondContact O-N 3.44Å; I107-C117 HydrophobicContact CD1-CB 3.94Å; I107-L143 HydrophobicContact CD1-CD1 3.91Å |
| 108 | S | 88.5 | Confident | 92.3 | Very high | 74 Ų | 74 | 45.9 Ų | 45.9 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -71.9 | -24.5 | -172.8 | -50.9 | 0 | 0 | 0 | 0 | 113.6 | H103 S104 Q110 | H103-S108 PolarHBondContact CE1-OG 3.12Å; H103-S108 PolarHBondContact ND1-OG 2.78Å; H103-S108 PolarHBondContact O-N 3.2Å; H103-S108 PolarHBondContact O-OG 2.81Å; S104-S108 WeakPolarHBondContact O-CB 3.37Å; S108-Q110 VanDerWaalsContact C-N 3.28Å |
| 109 | T | 83.1 | Confident | 92.4 | Very high | 89 Ų | 89 | 43.2 Ų | 43.2 | 55% | 0.546 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -12.2 | 172.7 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | I105 I107 | I105-T109 WeakPolarHBondContact O-CB 3.4Å; I105-T109 VanDerWaalsContact O-CG2 3.31Å; I105-T109 WeakPolarHBondContact O-CG2 3.46Å; I105-T109 PolarHBondContact O-OG1 2.81Å; I107-T109 VanDerWaalsContact C-N 3.31Å; I107-T109 PolarHBondContact O-N 3.35Å |
| 110 | Q | 80.3 | Confident | 92.4 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 152.2 | -177.2 | -57.5 | -58 | -49.9 | 0 | 0 | 110.3 | M78 F106 I107 S108 L112 | M78-Q110 HydrophobicContact SD-CG 4.45Å; F106-Q110 WeakPolarHBondContact O-CG 3.43Å; I107-Q110 PolarHBondContact O-N 3.44Å; S108-Q110 VanDerWaalsContact C-N 3.28Å; Q110-L112 HydrophobicContact CB-CB 4.5Å; Q110-L112 HydrophobicContact CB-CD1 4.11Å; Q110-L112 HydrophobicContact CB-CG 3.88Å; Q110-L112 PolarHBondContact O-N 3.4Å; Q110-L112 VanDerWaalsContact O-N 3.11Å |
| 111 | S | 83.4 | Confident | 92.5 | Very high | 123 Ų | 123 | 39 Ų | 39 | 86% | 0.86 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 43.7 | 172.4 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 112 | L | 88.8 | Confident | 92.4 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | trans | -84.7 | 142 | 178.6 | -68.4 | 175.9 | 0 | 0 | 0 | 111 | V84 Q110 Q116 | V84-L112 HydrophobicContact CB-CD1 4.31Å; V84-L112 HydrophobicContact CG2-CD1 3.55Å; Q110-L112 HydrophobicContact CB-CB 4.5Å; Q110-L112 HydrophobicContact CB-CD1 4.11Å; Q110-L112 HydrophobicContact CB-CG 3.88Å; Q110-L112 PolarHBondContact O-N 3.4Å; Q110-L112 VanDerWaalsContact O-N 3.11Å; L112-Q116 HydrophobicContact CB-CB 4.39Å; L112-Q116 HydrophobicContact CD2-CB 4.16Å | ||
| 113 | Q | 91.5 | Very high | 92.1 | Very high | 79 Ų | 79 | 36.8 Ų | 36.8 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | trans | -78.1 | 158.4 | 171.2 | -59.7 | -176.5 | -0.6 | 0 | 0 | 111 | S115 Q116 C117 | Q113-S115 WeakPolarHBondContact CB-OG 3.42Å; Q113-S115 PolarHBondContact O-N 3.17Å; Q113-S115 PolarHBondContact OE1-OG 3.25Å; Q113-Q116 HydrophobicContact CB-CG 4.43Å; Q113-Q116 WeakPolarHBondContact O-CA 3.36Å; Q113-Q116 WeakPolarHBondContact O-CB 3.44Å; Q113-Q116 PolarHBondContact O-N 2.91Å; Q113-C117 PolarHBondContact O-SG 3.31Å; Q113-C117 VanDerWaalsContact O-SG 3.4Å | ||
| 114 | E | 92.2 | Very high | 91.4 | Very high | 104 Ų | 104 | 40.1 Ų | 40.1 | 49% | 0.486 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -56.9 | -32.9 | 173.8 | -65.8 | -179 | 173 | 0 | 0 | 111.6 | Q116 C117 L143 | E114-Q116 PolarHBondContact O-N 3.06Å; E114-C117 PolarHBondContact O-N 2.97Å; E114-C117 VanDerWaalsContact O-N 3.12Å; E114-L143 HydrophobicContact CB-CD2 4.2Å; E114-L143 HydrophobicContact CG-CD2 4.22Å |
| 115 | S | 92.9 | Very high | 90.7 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -65.2 | -17.9 | 174.8 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | Q113 | Q113-S115 WeakPolarHBondContact CB-OG 3.42Å; Q113-S115 PolarHBondContact O-N 3.17Å; Q113-S115 PolarHBondContact OE1-OG 3.25Å |
| 116 | Q | 95.8 | Very high | 89.6 | Confident | 17 Ų | 17 | 42.6 Ų | 42.6 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -98 | 1.8 | 177.4 | -62.4 | 174.4 | -85.5 | 0 | 0 | 112.5 | S82 G83 V84 L112 Q113 E114 Y164 A171 | S82-Q116 PolarHBondContact O-NE2 3.17Å; G83-Q116 CarbonylContact C-O 3.57Å; G83-Q116 WeakPolarHBondContact CA-O 3.39Å; V84-Q116 PolarHBondContact N-O 2.96Å; L112-Q116 HydrophobicContact CB-CB 4.39Å; L112-Q116 HydrophobicContact CD2-CB 4.16Å; Q113-Q116 HydrophobicContact CB-CG 4.43Å; Q113-Q116 WeakPolarHBondContact O-CA 3.36Å; Q113-Q116 WeakPolarHBondContact O-CB 3.44Å; Q113-Q116 PolarHBondContact O-N 2.91Å; E114-Q116 PolarHBondContact O-N 3.06Å; Q116-Y164 PolarHBondContact O-OH 3.3Å; Q116-A171 HydrophobicContact CG-CB 3.91Å |
| 117 | C | 97.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.8 | -179.1 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | V84 I107 Q113 E114 L143 | V84-C117 CarbonylContact O-C 3.57Å; V84-C117 WeakPolarHBondContact O-CA 3.45Å; I107-C117 HydrophobicContact CD1-CB 3.94Å; Q113-C117 PolarHBondContact O-SG 3.31Å; Q113-C117 VanDerWaalsContact O-SG 3.4Å; E114-C117 PolarHBondContact O-N 2.97Å; E114-C117 VanDerWaalsContact O-N 3.12Å; C117-L143 HydrophobicContact CB-CD1 4.06Å; C117-L143 HydrophobicContact CB-CD2 3.76Å; C117-L143 HydrophobicContact CB-CG 4.48Å |
| 118 | L | 97.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 141.4 | 179.7 | 175.1 | 65.4 | 0 | 0 | 0 | 110.6 | V84 V85 I86 I120 P144 I146 F161 Y164 | V84-L118 PolarHBondContact O-N 3.45Å; V85-L118 CarbonylContact C-O 3.54Å; V85-L118 WeakPolarHBondContact CA-O 3.44Å; V85-L118 HydrophobicContact CG1-CB 4.26Å; V85-L118 HydrophobicContact CG1-CD2 4.02Å; V85-L118 HydrophobicContact CG1-CG 4.14Å; V85-L118 HydrophobicContact CG2-CB 4.17Å; V85-L118 HydrophobicContact CG2-CD2 4.15Å; I86-L118 PolarHBondContact N-O 3.41Å; L118-I120 HydrophobicContact CD2-CD1 4.2Å; L118-I120 HydrophobicContact CD2-CG1 4.14Å; L118-I120 HydrophobicContact CG-CG1 4.2Å; L118-P144 HydrophobicContact CD1-CB 3.94Å; L118-I146 HydrophobicContact CD1-CD1 3.63Å; L118-I146 HydrophobicContact CD1-CG1 3.95Å; L118-I146 HydrophobicContact CD2-CD1 3.82Å; L118-I146 HydrophobicContact CG-CD1 4.23Å; L118-F161 HydrophobicContact CD2-CD2 4.28Å; L118-Y164 HydrophobicContact CB-CD2 3.72Å; L118-Y164 HydrophobicContact CB-CE2 3.74Å; L118-Y164 HydrophobicContact CB-CG 4.13Å; L118-Y164 HydrophobicContact CD2-CD1 3.93Å; L118-Y164 HydrophobicContact CD2-CD2 4.23Å; L118-Y164 HydrophobicContact CD2-CE1 4.49Å; L118-Y164 HydrophobicContact CD2-CG 3.77Å; L118-Y164 HydrophobicContact CG-CD2 4.46Å; L118-Y164 HydrophobicContact CG-CG 4.47Å |
| 119 | L | 97.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.9 | 168.5 | -57 | -178.2 | 0 | 0 | 0 | 109.7 | I86 F88 L136 L140 L143 P144 L145 I146 | I86-L119 HydrophobicContact CB-CD2 3.72Å; I86-L119 HydrophobicContact CD1-CD2 4.08Å; I86-L119 HydrophobicContact CG1-CD2 4.2Å; I86-L119 HydrophobicContact CG2-CD2 4.44Å; I86-L119 WeakPolarHBondContact O-CA 3.34Å; F88-L119 HydrophobicContact CE1-CB 4.43Å; L119-L136 HydrophobicContact CD1-CD1 3.99Å; L119-L140 HydrophobicContact CD1-CB 4.1Å; L119-L140 HydrophobicContact CD1-CD2 4.26Å; L119-L140 WeakPolarHBondContact CD1-O 3.12Å; L119-L140 HydrophobicContact CD2-CD2 4.09Å; L119-L143 HydrophobicContact CD1-CB 4.14Å; L119-L143 HydrophobicContact CD2-CD1 4.07Å; L119-L143 HydrophobicContact CG-CB 3.97Å; L119-L143 HydrophobicContact CG-CD1 4.22Å; L119-P144 PolarHBondContact N-O 3Å; L119-L145 HydrophobicContact CB-CB 4.44Å; L119-L145 HydrophobicContact CB-CD1 3.65Å; L119-L145 WeakPolarHBondContact O-CA 3.28Å; L119-I146 PolarHBondContact O-N 2.86Å |
| 120 | I | 96.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.6 | 169.5 | -57.4 | -178.1 | 0 | 0 | 0 | 108.5 | V19 V85 I86 I87 F88 L118 H122 I146 | V19-I120 HydrophobicContact CG1-CD1 4.18Å; V85-I120 HydrophobicContact CG1-CD1 3.56Å; V85-I120 HydrophobicContact CG1-CG1 3.7Å; I86-I120 PolarHBondContact O-N 2.79Å; I87-I120 WeakPolarHBondContact CA-O 3.32Å; I87-I120 HydrophobicContact CD1-CD1 4.37Å; I87-I120 HydrophobicContact CG1-CB 4.14Å; I87-I120 HydrophobicContact CG1-CD1 4.42Å; I87-I120 HydrophobicContact CG2-CB 4.35Å; I87-I120 HydrophobicContact CG2-CG2 4.44Å; F88-I120 WeakPolarHBondContact CD1-O 3.36Å; F88-I120 PolarHBondContact N-O 3.15Å; L118-I120 HydrophobicContact CD2-CD1 4.2Å; L118-I120 HydrophobicContact CD2-CG1 4.14Å; L118-I120 HydrophobicContact CG-CG1 4.2Å; I120-H122 HydrophobicContact CG2-CB 4.32Å; I120-H122 PolarHBondContact O-N 3.23Å; I120-I146 CarbonylContact C-O 3.56Å; I120-I146 WeakPolarHBondContact CA-O 3.18Å; I120-I146 HydrophobicContact CG1-CB 4.43Å |
| 121 | A | 95.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 95.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | F88 P90 L134 L145 I146 H147 S148 | F88-A121 HydrophobicContact CE1-CB 4.15Å; F88-A121 HydrophobicContact CE2-CB 4.11Å; F88-A121 HydrophobicContact CZ-CB 3.73Å; F88-A121 CarbonylContact O-C 3.59Å; F88-A121 WeakPolarHBondContact O-CA 3.34Å; P90-A121 HydrophobicContact CG-CB 4.18Å; A121-L134 HydrophobicContact CB-CD1 3.85Å; A121-L145 HydrophobicContact CB-CD1 4.01Å; A121-I146 PolarHBondContact N-O 3.12Å; A121-H147 WeakPolarHBondContact O-CA 3.17Å; A121-S148 PolarHBondContact O-N 3.36Å |
| 122 | H | 93.8 | Very high | 83 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.3 | -176.8 | -179.3 | 67.7 | 0 | 0 | 0 | 111.2 | V19 I87 F88 N89 I120 S148 | V19-H122 HydrophobicContact CG2-CB 4.37Å; I87-H122 HydrophobicContact CG2-CB 4.02Å; F88-H122 PolarHBondContact O-N 3.39Å; N89-H122 WeakPolarHBondContact CA-O 2.96Å; N89-H122 PolarHBondContact ND2-O 3.14Å; I120-H122 HydrophobicContact CG2-CB 4.32Å; I120-H122 PolarHBondContact O-N 3.23Å; H122-S148 WeakPolarHBondContact CA-O 3.29Å; H122-S148 PolarHBondContact ND1-O 3.24Å; H122-S148 PolarHBondContact ND1-OG 2.88Å; H122-S148 VanDerWaalsContact ND1-OG 3.07Å |
| 123 | H | 88.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.023 | 34% | 0.337 | C | S | . | . | trans | -86.2 | 138.7 | 178.4 | -64.4 | -69.7 | 0 | 0 | 0 | 110 | P90 D91 I129 H147 S148 | P90-H123 WeakPolarHBondContact CG-CE1 3.45Å; P90-H123 VanDerWaalsContact CG-ND1 3.28Å; P90-H123 WeakPolarHBondContact CG-ND1 3.18Å; D91-H123 IonicContact OD1-ND1 3.16Å; H123-I129 HydrophobicContact CB-CG1 4.48Å; H123-H147 AromaticContact NE2-ND1 3.34Å; H123-H147 PolarHBondContact NE2-ND1 3.2Å; H123-S148 PolarHBondContact N-O 2.88Å | ||
| 124 | K | 82.1 | Confident | 81.9 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | trans | -76.6 | 150.1 | 172.5 | -79.6 | 178.1 | -178.3 | 176.5 | 0 | 109.3 | G126 C127 | K124-G126 PolarHBondContact O-N 2.76Å; K124-C127 WeakPolarHBondContact O-CB 3.19Å; K124-C127 PolarHBondContact O-N 2.87Å; K124-C127 VanDerWaalsContact O-N 3.16Å | ||
| 125 | P | 77.8 | Confident | 81.7 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 51% | 0.506 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.7 | 129.9 | 169.7 | -36.5 | 40.7 | 0 | 0 | 0 | 113.7 | C127 E151 | P125-C127 VanDerWaalsContact C-N 3.31Å; P125-C127 PolarHBondContact O-N 3.33Å; P125-E151 VanDerWaalsContact CB-CD 3.4Å; P125-E151 HydrophobicContact CB-CG 4.31Å; P125-E151 VanDerWaalsContact CB-OE1 3.29Å; P125-E151 WeakPolarHBondContact CB-OE1 3.44Å; P125-E151 WeakPolarHBondContact CB-OE2 3.43Å; P125-E151 HydrophobicContact CG-CG 4.02Å; P125-E151 VanDerWaalsContact CG-OE1 3.32Å; P125-E151 WeakPolarHBondContact CG-OE1 3.45Å |
| 126 | G | 71.6 | Confident | 81.5 | Confident | 79 Ų | 79 | 62 Ų | 62 | 81% | 0.814 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 8.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K124 | K124-G126 PolarHBondContact O-N 2.76Š|
| 127 | C | 69.2 | Low | 81.2 | Confident | 44 Ų | 44 | 62 Ų | 62 | 30% | 0.297 | 34% | 0.335 | S | S | . | . | trans | -76.2 | 138.8 | 166.1 | -74.3 | 0 | 0 | 0 | 0 | 110.2 | D91 K124 P125 I129 | D91-C127 PolarHBondContact OD2-SG 3.04Å; K124-C127 WeakPolarHBondContact O-CB 3.19Å; K124-C127 PolarHBondContact O-N 2.87Å; K124-C127 VanDerWaalsContact O-N 3.16Å; P125-C127 VanDerWaalsContact C-N 3.31Å; P125-C127 PolarHBondContact O-N 3.33Å; C127-I129 PolarHBondContact O-N 3.1Å; C127-I129 VanDerWaalsContact O-N 3.12Å | ||
| 128 | E | 64.7 | Low | 80.8 | Confident | 178 Ų | 178 | 66.8 Ų | 66.8 | 83% | 0.832 | 37% | 0.366 | S | S | * | . | trans | -68.3 | 111.2 | 169.4 | -71.9 | -173.7 | 168.9 | 0 | 0 | 108.5 | E130 | E128-E130 VanDerWaalsContact C-N 3.34Å; E128-E130 PolarHBondContact O-N 3.5Å | ||
| 129 | I | 61.9 | Low | 80.2 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 17% | 0.174 | 38% | 0.381 | C | S | . | . | trans | -70.5 | 95 | 175.5 | -54.4 | 174.1 | 0 | 0 | 0 | 108.1 | H123 C127 H131 D149 | H123-I129 HydrophobicContact CB-CG1 4.48Å; C127-I129 PolarHBondContact O-N 3.1Å; C127-I129 VanDerWaalsContact O-N 3.12Å; I129-H131 VanDerWaalsContact C-N 3.31Å; I129-H131 WeakPolarHBondContact CG2-CE1 3.39Å; I129-H131 WeakPolarHBondContact CG2-ND1 3.31Å; I129-H131 PolarHBondContact O-CD2 3.12Å; I129-H131 PolarHBondContact O-N 3.15Å; I129-D149 HydrophobicContact CD1-CB 3.84Å | ||
| 130 | E | 61.6 | Low | 79.9 | Confident | 158 Ų | 158 | 69.7 Ų | 69.7 | 74% | 0.738 | 38% | 0.381 | S | S | * | . | trans | -68.9 | 96.8 | 158.5 | -73.3 | -166.6 | 171.5 | 0 | 0 | 107.5 | E128 G132 | E128-E130 VanDerWaalsContact C-N 3.34Å; E128-E130 PolarHBondContact O-N 3.5Å; E130-G132 PolarHBondContact O-N 3.43Å | ||
| 131 | H | 61.6 | Low | 79.6 | Confident | 140 Ų | 140 | 73.2 Ų | 73.2 | 65% | 0.648 | 41% | 0.406 | S | S | * | . | trans | -65 | 21.6 | 169.7 | -60.9 | -79.8 | 0 | 0 | 0 | 113 | I129 | I129-H131 VanDerWaalsContact C-N 3.31Å; I129-H131 WeakPolarHBondContact CG2-CE1 3.39Å; I129-H131 WeakPolarHBondContact CG2-ND1 3.31Å; I129-H131 PolarHBondContact O-CD2 3.12Å; I129-H131 PolarHBondContact O-N 3.15Å | ||
| 132 | G | 63.7 | Low | 79.3 | Confident | 40 Ų | 40 | 81.6 Ų | 81.6 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -68.3 | 159.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E130 L134 | E130-G132 PolarHBondContact O-N 3.43Å; G132-L134 PolarHBondContact O-N 3.16Å; G132-L134 VanDerWaalsContact O-N 3.12Å |
| 133 | R | 71.3 | Confident | 79.3 | Confident | 253 Ų | 253 | 81.6 Ų | 81.6 | 96% | 0.955 | 44% | 0.438 | S | S | * | . | trans | -64.1 | 116 | 171.2 | -75.6 | -176.8 | 173.2 | -176 | -2.5 | 109.1 | ||||
| 134 | L | 85.7 | Confident | 79.6 | Confident | 35 Ų | 35 | 84.3 Ų | 84.3 | 18% | 0.183 | 46% | 0.456 | C | S | . | . | trans | -61.1 | 139 | 170 | -65.6 | 175.7 | 0 | 0 | 0 | 109.7 | F88 P90 A121 G132 L136 L145 | F88-L134 HydrophobicContact CE2-CD1 3.81Å; F88-L134 HydrophobicContact CZ-CD1 3.61Å; P90-L134 HydrophobicContact CB-CD1 4.19Å; P90-L134 HydrophobicContact CB-CD2 3.76Å; A121-L134 HydrophobicContact CB-CD1 3.85Å; G132-L134 PolarHBondContact O-N 3.16Å; G132-L134 VanDerWaalsContact O-N 3.12Å; L134-L136 HydrophobicContact CB-CD2 4.23Å; L134-L136 HydrophobicContact CB-CG 3.95Å; L134-L136 PolarHBondContact O-N 3.35Å; L134-L145 HydrophobicContact CD1-CD2 4.1Å | ||
| 135 | P | 87.4 | Confident | 80.2 | Confident | 108 Ų | 108 | 83 Ų | 83 | 70% | 0.701 | 45% | 0.453 | S | S | * | . | trans | -76.7 | 64.9 | 179.1 | 33 | -35.4 | 0 | 0 | 0 | 110.6 | L96 | L96-P135 HydrophobicContact CD1-CG 4.03Š| ||
| 136 | L | 89.8 | Confident | 80.9 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 17% | 0.168 | 43% | 0.433 | C | S | . | . | trans | -75.7 | 143.4 | -179.7 | -62.9 | 178.6 | 0 | 0 | 0 | 111.3 | F88 L96 I99 L119 L134 L140 L145 | F88-L136 HydrophobicContact CZ-CD2 4.28Å; L96-L136 HydrophobicContact CD2-CD2 4.05Å; I99-L136 HydrophobicContact CD1-CD2 3.68Å; L119-L136 HydrophobicContact CD1-CD1 3.99Å; L134-L136 HydrophobicContact CB-CD2 4.23Å; L134-L136 HydrophobicContact CB-CG 3.95Å; L134-L136 PolarHBondContact O-N 3.35Å; L136-L140 HydrophobicContact CB-CB 4.12Å; L136-L145 HydrophobicContact CD1-CD2 4.15Å | ||
| 137 | A | 88.7 | Confident | 81.9 | Confident | 15 Ų | 15 | 79.3 Ų | 79.3 | 12% | 0.124 | 41% | 0.408 | C | S | . | . | trans | -59.2 | 151.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E100 N139 L140 S141 | E100-A137 HydrophobicContact CG-CB 3.95Å; A137-N139 VanDerWaalsContact C-N 3.27Å; A137-N139 WeakPolarHBondContact CB-OD1 3.44Å; A137-N139 PolarHBondContact O-N 2.83Å; A137-N139 VanDerWaalsContact O-N 3.14Å; A137-L140 HydrophobicContact CB-CD1 4.24Å; A137-L140 WeakPolarHBondContact O-CA 3.38Å; A137-L140 WeakPolarHBondContact O-CB 3.1Å; A137-L140 PolarHBondContact O-N 3.38Å; A137-S141 PolarHBondContact O-N 2.85Å | ||
| 138 | P | 88.5 | Confident | 82.9 | Confident | 102 Ų | 102 | 77.2 Ų | 77.2 | 66% | 0.662 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -36.3 | -173.4 | -28.8 | 35.7 | 0 | 0 | 0 | 115 | S141 | P138-S141 WeakPolarHBondContact CA-OG 3.41Å; P138-S141 PolarHBondContact O-N 3.49Å; P138-S141 PolarHBondContact O-OG 2.82Å |
| 139 | N | 86.9 | Confident | 83.9 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -36.7 | 175.5 | 56.5 | -49.8 | 0 | 0 | 0 | 112.6 | H103 A137 | H103-N139 PolarHBondContact ND1-ND2 2.89Å; A137-N139 VanDerWaalsContact C-N 3.27Å; A137-N139 WeakPolarHBondContact CB-OD1 3.44Å; A137-N139 PolarHBondContact O-N 2.83Å; A137-N139 VanDerWaalsContact O-N 3.14Å |
| 140 | L | 90.8 | Very high | 85 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -35.1 | 177.1 | -67.7 | 169 | 0 | 0 | 0 | 111.8 | I99 E100 H103 L119 L136 A137 R142 L143 | I99-L140 HydrophobicContact CD1-CD1 3.79Å; I99-L140 HydrophobicContact CG1-CD1 3.74Å; E100-L140 HydrophobicContact CG-CD1 3.72Å; H103-L140 HydrophobicContact CB-CD2 3.73Å; L119-L140 HydrophobicContact CD1-CB 4.1Å; L119-L140 HydrophobicContact CD1-CD2 4.26Å; L119-L140 WeakPolarHBondContact CD1-O 3.12Å; L119-L140 HydrophobicContact CD2-CD2 4.09Å; L136-L140 HydrophobicContact CB-CB 4.12Å; A137-L140 HydrophobicContact CB-CD1 4.24Å; A137-L140 WeakPolarHBondContact O-CA 3.38Å; A137-L140 WeakPolarHBondContact O-CB 3.1Å; A137-L140 PolarHBondContact O-N 3.38Å; L140-R142 PolarHBondContact O-N 3.39Å; L140-R142 VanDerWaalsContact O-N 3.09Å; L140-L143 WeakPolarHBondContact O-CB 3.41Å; L140-L143 PolarHBondContact O-N 2.84Å |
| 141 | S | 89.5 | Confident | 86 | Confident | 75 Ų | 75 | 68.4 Ų | 68.4 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15 | -176.9 | 72 | 0 | 0 | 0 | 0 | 115 | A137 P138 | A137-S141 PolarHBondContact O-N 2.85Å; P138-S141 WeakPolarHBondContact CA-OG 3.41Å; P138-S141 PolarHBondContact O-N 3.49Å; P138-S141 PolarHBondContact O-OG 2.82Å |
| 142 | R | 89.9 | Confident | 86.8 | Confident | 175 Ų | 175 | 68.5 Ų | 68.5 | 66% | 0.66 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -23.4 | 175.4 | -63.8 | 179.8 | -176 | -174.2 | 0.3 | 112.7 | L140 | L140-R142 PolarHBondContact O-N 3.39Å; L140-R142 VanDerWaalsContact O-N 3.09Å |
| 143 | L | 93.6 | Very high | 87.7 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.063 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -76.5 | 145.3 | -178.4 | -58 | -174.6 | 0 | 0 | 0 | 109.9 | I107 E114 C117 L119 L140 L145 | I107-L143 HydrophobicContact CD1-CD1 3.91Å; E114-L143 HydrophobicContact CB-CD2 4.2Å; E114-L143 HydrophobicContact CG-CD2 4.22Å; C117-L143 HydrophobicContact CB-CD1 4.06Å; C117-L143 HydrophobicContact CB-CD2 3.76Å; C117-L143 HydrophobicContact CB-CG 4.48Å; L119-L143 HydrophobicContact CD1-CB 4.14Å; L119-L143 HydrophobicContact CD2-CD1 4.07Å; L119-L143 HydrophobicContact CG-CB 3.97Å; L119-L143 HydrophobicContact CG-CD1 4.22Å; L140-L143 WeakPolarHBondContact O-CB 3.41Å; L140-L143 PolarHBondContact O-N 2.84Å; L143-L145 PolarHBondContact O-N 2.89Å |
| 144 | P | 94.5 | Very high | 88.5 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | trans | -54.5 | 134.7 | 169 | -22.5 | 32.8 | 0 | 0 | 0 | 110.5 | L118 L119 | L118-P144 HydrophobicContact CD1-CB 3.94Å; L119-P144 PolarHBondContact N-O 3Å | ||
| 145 | L | 94.8 | Very high | 88.8 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 127.1 | 177.5 | 174.9 | 67.5 | 0 | 0 | 0 | 109.4 | F88 L119 A121 L134 L136 L143 | F88-L145 HydrophobicContact CE1-CD1 4.22Å; F88-L145 HydrophobicContact CZ-CD1 4.28Å; L119-L145 HydrophobicContact CB-CB 4.44Å; L119-L145 HydrophobicContact CB-CD1 3.65Å; L119-L145 WeakPolarHBondContact O-CA 3.28Å; A121-L145 HydrophobicContact CB-CD1 4.01Å; L134-L145 HydrophobicContact CD1-CD2 4.1Å; L136-L145 HydrophobicContact CD1-CD2 4.15Å; L143-L145 PolarHBondContact O-N 2.89Å |
| 146 | I | 93.6 | Very high | 88.9 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 130.6 | 170.8 | -62.9 | 165.5 | 0 | 0 | 0 | 107.9 | L118 L119 I120 A121 | L118-I146 HydrophobicContact CD1-CD1 3.63Å; L118-I146 HydrophobicContact CD1-CG1 3.95Å; L118-I146 HydrophobicContact CD2-CD1 3.82Å; L118-I146 HydrophobicContact CG-CD1 4.23Å; L119-I146 PolarHBondContact O-N 2.86Å; I120-I146 CarbonylContact C-O 3.56Å; I120-I146 WeakPolarHBondContact CA-O 3.18Å; I120-I146 HydrophobicContact CG1-CB 4.43Å; A121-I146 PolarHBondContact N-O 3.12Å |
| 147 | H | 92.2 | Very high | 89 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.6 | 162.2 | -70.9 | -90.5 | 0 | 0 | 0 | 107.8 | A121 H123 | A121-H147 WeakPolarHBondContact O-CA 3.17Å; H123-H147 AromaticContact NE2-ND1 3.34Å; H123-H147 PolarHBondContact NE2-ND1 3.2Å |
| 148 | S | 89.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 113 | -178.3 | 167.8 | 0 | 0 | 0 | 0 | 109.8 | A121 H122 H123 | A121-S148 PolarHBondContact O-N 3.36Å; H122-S148 WeakPolarHBondContact CA-O 3.29Å; H122-S148 PolarHBondContact ND1-O 3.24Å; H122-S148 PolarHBondContact ND1-OG 2.88Å; H122-S148 VanDerWaalsContact ND1-OG 3.07Å; H123-S148 PolarHBondContact N-O 2.88Å |
| 149 | D | 86.1 | Confident | 89.4 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | trans | -118.3 | 119.1 | 160.5 | -170.7 | -42.7 | 0 | 0 | 0 | 107.1 | I129 E151 E152 E153 | I129-D149 HydrophobicContact CD1-CB 3.84Å; D149-E151 WeakPolarHBondContact OD1-CA 3.47Å; D149-E151 PolarHBondContact OD1-N 2.84Å; D149-E152 HydrophobicContact CB-CB 4.47Å; D149-E152 PolarHBondContact OD1-N 2.85Å; D149-E153 CarbonylContact O-C 3.57Å; D149-E153 PolarHBondContact O-N 2.93Å | ||
| 150 | L | 85.2 | Confident | 89.8 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 20% | 0.199 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -6.8 | -177.3 | -62.4 | 178.6 | 0 | 0 | 0 | 113 | V18 V19 F22 P154 V157 | V18-L150 HydrophobicContact CG1-CD1 3.69Å; V19-L150 HydrophobicContact CG2-CD1 4.42Å; F22-L150 HydrophobicContact CB-CD1 4.09Å; F22-L150 HydrophobicContact CB-CD2 4.42Å; F22-L150 HydrophobicContact CD1-CD2 3.52Å; F22-L150 HydrophobicContact CD2-CD2 4.41Å; F22-L150 HydrophobicContact CE1-CD2 3.84Å; F22-L150 HydrophobicContact CG-CD1 4.36Å; F22-L150 HydrophobicContact CG-CD2 3.84Å; F22-L150 HydrophobicContact CZ-CD2 4.44Å; L150-P154 HydrophobicContact CD2-CB 4.48Å; L150-V157 HydrophobicContact CD2-CB 4.41Å; L150-V157 HydrophobicContact CD2-CG1 4.35Å; L150-V157 HydrophobicContact CD2-CG2 4.38Å |
| 151 | E | 82.3 | Confident | 89.9 | Confident | 134 Ų | 134 | 62.7 Ų | 62.7 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -39 | 173.6 | -64.9 | -164.3 | 159 | 0 | 0 | 111.9 | P125 D149 | P125-E151 VanDerWaalsContact CB-CD 3.4Å; P125-E151 HydrophobicContact CB-CG 4.31Å; P125-E151 VanDerWaalsContact CB-OE1 3.29Å; P125-E151 WeakPolarHBondContact CB-OE1 3.44Å; P125-E151 WeakPolarHBondContact CB-OE2 3.43Å; P125-E151 HydrophobicContact CG-CG 4.02Å; P125-E151 VanDerWaalsContact CG-OE1 3.32Å; P125-E151 WeakPolarHBondContact CG-OE1 3.45Å; D149-E151 WeakPolarHBondContact OD1-CA 3.47Å; D149-E151 PolarHBondContact OD1-N 2.84Å |
| 152 | E | 78.9 | Confident | 90.1 | Very high | 142 Ų | 142 | 60.9 Ų | 60.9 | 66% | 0.664 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -56.5 | -177.7 | -62.6 | -162.8 | 161.8 | 0 | 0 | 113.1 | D149 P154 | D149-E152 HydrophobicContact CB-CB 4.47Å; D149-E152 PolarHBondContact OD1-N 2.85Å; E152-P154 WeakPolarHBondContact O-CD 3.43Å |
| 153 | E | 82.2 | Confident | 90.2 | Very high | 111 Ų | 111 | 58.6 Ų | 58.6 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | trans | -127.7 | 54 | -170.3 | -62.4 | -177.1 | 153.5 | 0 | 0 | 113.3 | D149 E155 D156 | D149-E153 CarbonylContact O-C 3.57Å; D149-E153 PolarHBondContact O-N 2.93Å; E153-E155 VanDerWaalsContact C-N 3.31Å; E153-E155 PolarHBondContact O-N 3.06Å; E153-D156 HydrophobicContact CB-CB 4.35Å; E153-D156 PolarHBondContact O-N 2.94Å | ||
| 154 | P | 88.9 | Confident | 90.3 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 22% | 0.221 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -36.8 | -176 | 23 | -33 | 0 | 0 | 0 | 113.3 | F22 L150 E152 D156 V157 R158 | F22-P154 HydrophobicContact CE1-CB 4.35Å; F22-P154 WeakPolarHBondContact CE1-O 3.33Å; F22-P154 HydrophobicContact CE2-CB 3.68Å; F22-P154 HydrophobicContact CZ-CB 3.53Å; F22-P154 WeakPolarHBondContact CZ-O 3.36Å; L150-P154 HydrophobicContact CD2-CB 4.48Å; E152-P154 WeakPolarHBondContact O-CD 3.43Å; P154-D156 VanDerWaalsContact C-N 3.33Å; P154-D156 PolarHBondContact O-N 3.12Å; P154-V157 WeakPolarHBondContact O-CB 3.37Å; P154-V157 PolarHBondContact O-N 2.98Å; P154-R158 PolarHBondContact O-N 3.4Å; P154-R158 VanDerWaalsContact O-N 3.11Å |
| 155 | E | 90.8 | Very high | 90.3 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.5 | -31.9 | -178.1 | -69.3 | -57.9 | 137.8 | 0 | 0 | 113.2 | E153 R158 H159 | E153-E155 VanDerWaalsContact C-N 3.31Å; E153-E155 PolarHBondContact O-N 3.06Å; E155-R158 WeakPolarHBondContact O-CB 3.38Å; E155-R158 PolarHBondContact O-N 2.84Å; E155-R158 IonicContact OE1-NE 2.66Å; E155-R158 IonicContact OE2-CZ 3.69Å; E155-R158 IonicContact OE2-NE 2.89Å; E155-R158 PolarHBondContact OE2-NE 2.64Å; E155-R158 IonicContact OE2-NH2 2.9Å; E155-R158 PolarHBondContact OE2-NH2 2.85Å; E155-H159 WeakPolarHBondContact O-CB 3.15Å; E155-H159 PolarHBondContact O-N 3.05Å |
| 156 | D | 90.6 | Very high | 90.1 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.1 | -36 | 178.5 | -77.1 | 1.2 | 0 | 0 | 0 | 111.3 | E153 P154 S160 | E153-D156 HydrophobicContact CB-CB 4.35Å; E153-D156 PolarHBondContact O-N 2.94Å; P154-D156 VanDerWaalsContact C-N 3.33Å; P154-D156 PolarHBondContact O-N 3.12Å; D156-S160 WeakPolarHBondContact O-CB 3.3Å; D156-S160 PolarHBondContact O-N 3.25Å; D156-S160 PolarHBondContact O-OG 3.42Å |
| 157 | V | 92.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 171 | -179.8 | 0 | 0 | 0 | 0 | 110 | F22 L150 P154 S160 F161 | F22-V157 HydrophobicContact CE1-CB 4.47Å; L150-V157 HydrophobicContact CD2-CB 4.41Å; L150-V157 HydrophobicContact CD2-CG1 4.35Å; L150-V157 HydrophobicContact CD2-CG2 4.38Å; P154-V157 WeakPolarHBondContact O-CB 3.37Å; P154-V157 PolarHBondContact O-N 2.98Å; V157-S160 PolarHBondContact O-N 2.9Å; V157-F161 WeakPolarHBondContact O-CB 3.36Å; V157-F161 PolarHBondContact O-N 3.11Å |
| 158 | R | 92.9 | Very high | 90.2 | Very high | 85 Ų | 85 | 52.9 Ų | 52.9 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 179.5 | -170.6 | 171.7 | 74.2 | 106 | 2.3 | 111.6 | F22 L23 P154 E155 S160 F161 Y162 | F22-R158 HydrophobicContact CE1-CB 3.87Å; F22-R158 HydrophobicContact CZ-CB 4.06Å; L23-R158 HydrophobicContact CD2-CB 4.42Å; L23-R158 HydrophobicContact CD2-CG 4.44Å; P154-R158 PolarHBondContact O-N 3.4Å; P154-R158 VanDerWaalsContact O-N 3.11Å; E155-R158 WeakPolarHBondContact O-CB 3.38Å; E155-R158 PolarHBondContact O-N 2.84Å; E155-R158 IonicContact OE1-NE 2.66Å; E155-R158 IonicContact OE2-CZ 3.69Å; E155-R158 IonicContact OE2-NE 2.89Å; E155-R158 PolarHBondContact OE2-NE 2.64Å; E155-R158 IonicContact OE2-NH2 2.9Å; E155-R158 PolarHBondContact OE2-NH2 2.85Å; R158-S160 PolarHBondContact O-N 2.97Å; R158-F161 PolarHBondContact O-N 2.76Å; R158-Y162 HydrophobicContact CG-CD2 3.78Å; R158-Y162 HydrophobicContact CG-CE2 3.32Å; R158-Y162 WeakPolarHBondContact O-CD2 3.49Å; R158-Y162 PolarHBondContact O-N 2.72Å |
| 159 | H | 92.4 | Very high | 90.3 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 32% | 0.315 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 178.3 | 179.9 | 81.3 | 0 | 0 | 0 | 111.8 | E50 E155 F161 Y162 R163 | E50-H159 VanDerWaalsContact CD-CE1 3.45Å; E50-H159 IonicContact OE1-CE1 3.25Å; E50-H159 PolarHBondContact OE1-CE1 3.08Å; E50-H159 IonicContact OE1-ND1 3.11Å; E50-H159 IonicContact OE2-CE1 2.81Å; E50-H159 PolarHBondContact OE2-CE1 2.97Å; E50-H159 VanDerWaalsContact OE2-CE1 3.25Å; E50-H159 IonicContact OE2-NE2 2.83Å; E155-H159 WeakPolarHBondContact O-CB 3.15Å; E155-H159 PolarHBondContact O-N 3.05Å; H159-F161 VanDerWaalsContact C-N 3.34Å; H159-F161 PolarHBondContact O-N 3.02Å; H159-Y162 PolarHBondContact O-N 3.04Å; H159-R163 PolarHBondContact CD2-NH2 3.01Å; H159-R163 VanDerWaalsContact CD2-NH2 3.33Å; H159-R163 PolarHBondContact NE2-NH2 3Å; H159-R163 PolarHBondContact O-N 3.16Å |
| 160 | S | 93.7 | Very high | 90.5 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 178.5 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | D156 V157 R158 R163 Y164 | D156-S160 WeakPolarHBondContact O-CB 3.3Å; D156-S160 PolarHBondContact O-N 3.25Å; D156-S160 PolarHBondContact O-OG 3.42Å; V157-S160 PolarHBondContact O-N 2.9Å; R158-S160 PolarHBondContact O-N 2.97Å; S160-R163 PolarHBondContact O-N 3.33Å; S160-Y164 PolarHBondContact O-N 2.79Å |
| 161 | F | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 173.3 | 178 | -103.2 | 0 | 0 | 0 | 112.4 | F8 L23 F45 V85 L118 V157 R158 H159 R163 Y164 L165 | F8-F161 AromaticContact CE1-CE2 3.85Å; F8-F161 HydrophobicContact CE1-CE2 3.85Å; F8-F161 HydrophobicContact CE1-CZ 4.32Å; F8-F161 AromaticContact CZ-CE2 3.9Å; F8-F161 HydrophobicContact CZ-CE2 3.9Å; F8-F161 HydrophobicContact CZ-CZ 4.33Å; L23-F161 HydrophobicContact CB-CD1 4.37Å; L23-F161 HydrophobicContact CB-CE1 4.35Å; L23-F161 HydrophobicContact CD1-CB 4.22Å; L23-F161 HydrophobicContact CD1-CD1 3.75Å; L23-F161 HydrophobicContact CD1-CD2 3.77Å; L23-F161 HydrophobicContact CD1-CE1 3.97Å; L23-F161 HydrophobicContact CD1-CE2 4.02Å; L23-F161 HydrophobicContact CD1-CG 3.63Å; L23-F161 HydrophobicContact CD1-CZ 4.11Å; L23-F161 HydrophobicContact CD2-CB 3.79Å; L23-F161 HydrophobicContact CD2-CD1 3.7Å; L23-F161 HydrophobicContact CD2-CE1 4.48Å; L23-F161 HydrophobicContact CD2-CG 3.85Å; L23-F161 HydrophobicContact CG-CD1 4.15Å; L23-F161 HydrophobicContact CG-CG 4.33Å; F45-F161 HydrophobicContact CZ-CE1 4.21Å; V85-F161 HydrophobicContact CG2-CE2 4.29Å; L118-F161 HydrophobicContact CD2-CD2 4.28Å; V157-F161 WeakPolarHBondContact O-CB 3.36Å; V157-F161 PolarHBondContact O-N 3.11Å; R158-F161 PolarHBondContact O-N 2.76Å; H159-F161 VanDerWaalsContact C-N 3.34Å; H159-F161 PolarHBondContact O-N 3.02Å; F161-R163 VanDerWaalsContact C-N 3.32Å; F161-R163 PolarHBondContact O-N 3.23Å; F161-Y164 HydrophobicContact CD2-CD1 4.07Å; F161-Y164 HydrophobicContact CE2-CD1 4.01Å; F161-Y164 HydrophobicContact CE2-CE1 4.25Å; F161-Y164 WeakPolarHBondContact O-CA 3.44Å; F161-Y164 VanDerWaalsContact O-CB 3.3Å; F161-Y164 WeakPolarHBondContact O-CB 3.44Å; F161-Y164 PolarHBondContact O-N 3.34Å; F161-Y164 VanDerWaalsContact O-N 3.13Å; F161-L165 HydrophobicContact CD1-CD1 3.85Å; F161-L165 HydrophobicContact CD1-CG 4.3Å; F161-L165 HydrophobicContact CE1-CD1 3.31Å; F161-L165 HydrophobicContact CE1-CD2 4.41Å; F161-L165 HydrophobicContact CE1-CG 3.85Å; F161-L165 HydrophobicContact CZ-CD1 3.87Å; F161-L165 HydrophobicContact CZ-CD2 4.13Å; F161-L165 HydrophobicContact CZ-CG 3.97Å; F161-L165 PolarHBondContact O-N 3.09Å |
| 162 | Y | 92.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -32.8 | 176.4 | -72.4 | -50.1 | 0 | 0 | 0 | 112.9 | F45 S47 P49 R158 H159 Y164 L165 G166 | F45-Y162 HydrophobicContact CE2-CE1 4.32Å; S47-Y162 WeakPolarHBondContact OG-CD1 3.31Å; S47-Y162 WeakPolarHBondContact OG-CE1 3.35Å; P49-Y162 WeakPolarHBondContact CB-O 3.48Å; R158-Y162 HydrophobicContact CG-CD2 3.78Å; R158-Y162 HydrophobicContact CG-CE2 3.32Å; R158-Y162 WeakPolarHBondContact O-CD2 3.49Å; R158-Y162 PolarHBondContact O-N 2.72Å; H159-Y162 PolarHBondContact O-N 3.04Å; Y162-Y164 VanDerWaalsContact C-N 3.34Å; Y162-L165 HydrophobicContact CD1-CD1 3.67Å; Y162-L165 HydrophobicContact CE1-CD1 4.05Å; Y162-L165 PolarHBondContact O-N 3.44Å; Y162-G166 PolarHBondContact O-N 3.33Å |
| 163 | R | 93.1 | Very high | 91.6 | Very high | 127 Ų | 127 | 48.2 Ų | 48.2 | 48% | 0.479 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 169.4 | -173.5 | -174.4 | -62.3 | 154.3 | -0.3 | 111.5 | H159 S160 F161 G166 N167 | H159-R163 PolarHBondContact CD2-NH2 3.01Å; H159-R163 VanDerWaalsContact CD2-NH2 3.33Å; H159-R163 PolarHBondContact NE2-NH2 3Å; H159-R163 PolarHBondContact O-N 3.16Å; S160-R163 PolarHBondContact O-N 3.33Å; F161-R163 VanDerWaalsContact C-N 3.32Å; F161-R163 PolarHBondContact O-N 3.23Å; R163-G166 PolarHBondContact O-N 2.82Å; R163-N167 PolarHBondContact O-N 3.1Å; R163-N167 VanDerWaalsContact O-N 3.17Å |
| 164 | Y | 95 | Very high | 92 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 172.9 | 159.7 | -100.6 | 0 | 0 | 0 | 111.8 | I6 G83 V84 V85 Q116 L118 S160 F161 Y162 G166 N167 V168 | I6-Y164 HydrophobicContact CD1-CE1 4.14Å; I6-Y164 HydrophobicContact CG2-CE1 4.31Å; G83-Y164 VanDerWaalsContact CA-OH 3.3Å; G83-Y164 WeakPolarHBondContact CA-OH 3.44Å; V84-Y164 PolarHBondContact N-OH 3.47Å; V84-Y164 VanDerWaalsContact N-OH 3.12Å; V84-Y164 PolarHBondContact O-OH 3.25Å; V85-Y164 HydrophobicContact CG2-CD1 4.45Å; V85-Y164 HydrophobicContact CG2-CE1 3.73Å; Q116-Y164 PolarHBondContact O-OH 3.3Å; L118-Y164 HydrophobicContact CB-CD2 3.72Å; L118-Y164 HydrophobicContact CB-CE2 3.74Å; L118-Y164 HydrophobicContact CB-CG 4.13Å; L118-Y164 HydrophobicContact CD2-CD1 3.93Å; L118-Y164 HydrophobicContact CD2-CD2 4.23Å; L118-Y164 HydrophobicContact CD2-CE1 4.49Å; L118-Y164 HydrophobicContact CD2-CG 3.77Å; L118-Y164 HydrophobicContact CG-CD2 4.46Å; L118-Y164 HydrophobicContact CG-CG 4.47Å; S160-Y164 PolarHBondContact O-N 2.79Å; F161-Y164 HydrophobicContact CD2-CD1 4.07Å; F161-Y164 HydrophobicContact CE2-CD1 4.01Å; F161-Y164 HydrophobicContact CE2-CE1 4.25Å; F161-Y164 WeakPolarHBondContact O-CA 3.44Å; F161-Y164 VanDerWaalsContact O-CB 3.3Å; F161-Y164 WeakPolarHBondContact O-CB 3.44Å; F161-Y164 PolarHBondContact O-N 3.34Å; F161-Y164 VanDerWaalsContact O-N 3.13Å; Y162-Y164 VanDerWaalsContact C-N 3.34Å; Y164-G166 VanDerWaalsContact C-N 3.27Å; Y164-G166 PolarHBondContact O-N 2.99Å; Y164-N167 WeakPolarHBondContact O-CB 3.18Å; Y164-N167 PolarHBondContact O-N 3.01Å; Y164-V168 HydrophobicContact CD1-CG2 4.47Å; Y164-V168 HydrophobicContact CD2-CG2 4.25Å; Y164-V168 HydrophobicContact CE1-CG2 3.95Å; Y164-V168 HydrophobicContact CE2-CG2 3.72Å; Y164-V168 PolarHBondContact O-N 3.17Å |
| 165 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.7 | -40 | 175.4 | -75.8 | 174.8 | 0 | 0 | 0 | 112.3 | I6 P49 V59 F161 Y162 N167 V168 V169 | I6-L165 HydrophobicContact CD1-CD2 3.98Å; I6-L165 HydrophobicContact CG1-CD2 3.72Å; P49-L165 HydrophobicContact CB-CB 4.22Å; V59-L165 HydrophobicContact CG1-CD2 4.42Å; V59-L165 HydrophobicContact CG2-CD1 4.04Å; V59-L165 HydrophobicContact CG2-CD2 4.28Å; F161-L165 HydrophobicContact CD1-CD1 3.85Å; F161-L165 HydrophobicContact CD1-CG 4.3Å; F161-L165 HydrophobicContact CE1-CD1 3.31Å; F161-L165 HydrophobicContact CE1-CD2 4.41Å; F161-L165 HydrophobicContact CE1-CG 3.85Å; F161-L165 HydrophobicContact CZ-CD1 3.87Å; F161-L165 HydrophobicContact CZ-CD2 4.13Å; F161-L165 HydrophobicContact CZ-CG 3.97Å; F161-L165 PolarHBondContact O-N 3.09Å; Y162-L165 HydrophobicContact CD1-CD1 3.67Å; Y162-L165 HydrophobicContact CE1-CD1 4.05Å; Y162-L165 PolarHBondContact O-N 3.44Å; L165-N167 VanDerWaalsContact C-N 3.31Å; L165-N167 PolarHBondContact O-N 3.32Å; L165-V168 PolarHBondContact O-N 3.49Å; L165-V169 WeakPolarHBondContact O-CG2 3.26Å; L165-V169 PolarHBondContact O-N 2.85Å |
| 166 | G | 92.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.7 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y162 R163 Y164 V169 K170 | Y162-G166 PolarHBondContact O-N 3.33Å; R163-G166 PolarHBondContact O-N 2.82Å; Y164-G166 VanDerWaalsContact C-N 3.27Å; Y164-G166 PolarHBondContact O-N 2.99Å; G166-V169 PolarHBondContact O-N 3.41Å; G166-K170 WeakPolarHBondContact O-CB 3.45Å; G166-K170 PolarHBondContact O-N 2.6Å |
| 167 | N | 92.9 | Very high | 91.7 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.6 | -66.1 | -30.4 | 0 | 0 | 0 | 112.3 | R163 Y164 L165 K170 A171 | R163-N167 PolarHBondContact O-N 3.1Å; R163-N167 VanDerWaalsContact O-N 3.17Å; Y164-N167 WeakPolarHBondContact O-CB 3.18Å; Y164-N167 PolarHBondContact O-N 3.01Å; L165-N167 VanDerWaalsContact C-N 3.31Å; L165-N167 PolarHBondContact O-N 3.32Å; N167-K170 PolarHBondContact O-N 2.99Å; N167-A171 WeakPolarHBondContact O-CB 3.22Å; N167-A171 PolarHBondContact O-N 2.94Å |
| 168 | V | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 176 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | T4 I6 S82 Y164 L165 K170 A171 M172 | T4-V168 HydrophobicContact CG2-CB 4.48Å; T4-V168 HydrophobicContact CG2-CG1 3.62Å; I6-V168 HydrophobicContact CD1-CG1 4.19Å; I6-V168 HydrophobicContact CD1-CG2 4.22Å; S82-V168 VanDerWaalsContact O-CG1 3.27Å; S82-V168 WeakPolarHBondContact O-CG1 3.46Å; Y164-V168 HydrophobicContact CD1-CG2 4.47Å; Y164-V168 HydrophobicContact CD2-CG2 4.25Å; Y164-V168 HydrophobicContact CE1-CG2 3.95Å; Y164-V168 HydrophobicContact CE2-CG2 3.72Å; Y164-V168 PolarHBondContact O-N 3.17Å; L165-V168 PolarHBondContact O-N 3.49Å; V168-K170 VanDerWaalsContact C-N 3.27Å; V168-K170 PolarHBondContact O-N 2.91Å; V168-A171 PolarHBondContact O-N 3.16Å; V168-M172 HydrophobicContact CG1-CG 4.3Å; V168-M172 WeakPolarHBondContact O-CB 3.31Å; V168-M172 VanDerWaalsContact O-CG 3.27Å; V168-M172 WeakPolarHBondContact O-CG 3.1Å; V168-M172 PolarHBondContact O-N 3.04Å |
| 169 | V | 91.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -38.3 | -179.7 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | F2 P49 C57 L165 G166 S173 | F2-V169 HydrophobicContact CD2-CG1 4.23Å; F2-V169 HydrophobicContact CG-CG1 4.33Å; P49-V169 HydrophobicContact CG-CG2 4.49Å; C57-V169 HydrophobicContact CB-CG2 4.35Å; L165-V169 WeakPolarHBondContact O-CG2 3.26Å; L165-V169 PolarHBondContact O-N 2.85Å; G166-V169 PolarHBondContact O-N 3.41Å; V169-S173 WeakPolarHBondContact O-CB 3.35Å; V169-S173 PolarHBondContact O-N 3.34Å; V169-S173 PolarHBondContact O-OG 3.35Å |
| 170 | K | 90.9 | Very high | 91 | Very high | 128 Ų | 128 | 57.8 Ų | 57.8 | 56% | 0.557 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.1 | -49.6 | 174.2 | -175.8 | 179.9 | 174.7 | -174.8 | 0 | 111.6 | G166 N167 V168 M172 S173 E174 | G166-K170 WeakPolarHBondContact O-CB 3.45Å; G166-K170 PolarHBondContact O-N 2.6Å; N167-K170 PolarHBondContact O-N 2.99Å; V168-K170 VanDerWaalsContact C-N 3.27Å; V168-K170 PolarHBondContact O-N 2.91Å; K170-M172 VanDerWaalsContact C-N 3.31Å; K170-M172 PolarHBondContact O-N 3.04Å; K170-S173 WeakPolarHBondContact O-CB 3.49Å; K170-S173 PolarHBondContact O-N 3.12Å; K170-S173 VanDerWaalsContact O-N 3.15Å; K170-E174 WeakPolarHBondContact CE-OE1 3.49Å; K170-E174 WeakPolarHBondContact O-CG 3.34Å; K170-E174 PolarHBondContact O-N 3.08Å |
| 171 | A | 91.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q116 N167 V168 E174 S175 | Q116-A171 HydrophobicContact CG-CB 3.91Å; N167-A171 WeakPolarHBondContact O-CB 3.22Å; N167-A171 PolarHBondContact O-N 2.94Å; V168-A171 PolarHBondContact O-N 3.16Å; A171-E174 PolarHBondContact O-N 2.93Å; A171-S175 PolarHBondContact O-N 3.12Å |
| 172 | M | 89.6 | Confident | 90.3 | Very high | 63 Ų | 63 | 65.7 Ų | 65.7 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.1 | -72.7 | -75.1 | -68.3 | 0 | 0 | 112 | V168 K170 S175 R176 | V168-M172 HydrophobicContact CG1-CG 4.3Å; V168-M172 WeakPolarHBondContact O-CB 3.31Å; V168-M172 VanDerWaalsContact O-CG 3.27Å; V168-M172 WeakPolarHBondContact O-CG 3.1Å; V168-M172 PolarHBondContact O-N 3.04Å; K170-M172 VanDerWaalsContact C-N 3.31Å; K170-M172 PolarHBondContact O-N 3.04Å; M172-S175 PolarHBondContact O-N 2.79Å; M172-R176 WeakPolarHBondContact O-CB 3.41Å; M172-R176 PolarHBondContact O-N 2.77Å |
| 173 | S | 89.2 | Confident | 90 | Very high | 24 Ų | 24 | 70.6 Ų | 70.6 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 178.1 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | F2 V169 K170 S175 R176 E177 | F2-S173 VanDerWaalsContact CZ-OG 3.23Å; F2-S173 WeakPolarHBondContact CZ-OG 3.47Å; V169-S173 WeakPolarHBondContact O-CB 3.35Å; V169-S173 PolarHBondContact O-N 3.34Å; V169-S173 PolarHBondContact O-OG 3.35Å; K170-S173 WeakPolarHBondContact O-CB 3.49Å; K170-S173 PolarHBondContact O-N 3.12Å; K170-S173 VanDerWaalsContact O-N 3.15Å; S173-S175 PolarHBondContact O-N 3.36Å; S173-R176 PolarHBondContact O-N 3.46Å; S173-E177 WeakPolarHBondContact O-CG 3.42Å; S173-E177 PolarHBondContact O-N 3.01Å |
| 174 | E | 90.1 | Very high | 89.3 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 177.2 | -69.1 | 176.7 | -173.6 | 0 | 0 | 112.7 | K170 A171 R178 | K170-E174 WeakPolarHBondContact CE-OE1 3.49Å; K170-E174 WeakPolarHBondContact O-CG 3.34Å; K170-E174 PolarHBondContact O-N 3.08Å; A171-E174 PolarHBondContact O-N 2.93Å; E174-R178 WeakPolarHBondContact O-CG 3.49Å; E174-R178 PolarHBondContact O-N 3.11Å; E174-R178 IonicContact OE2-NH1 3.35Å |
| 175 | S | 88 | Confident | 87.3 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 175.3 | -163 | 0 | 0 | 0 | 0 | 111.1 | A171 M172 S173 E177 R178 E179 | A171-S175 PolarHBondContact O-N 3.12Å; M172-S175 PolarHBondContact O-N 2.79Å; S173-S175 PolarHBondContact O-N 3.36Å; S175-E177 PolarHBondContact O-N 3.38Å; S175-R178 WeakPolarHBondContact O-CB 3.31Å; S175-R178 PolarHBondContact O-N 2.87Å; S175-E179 WeakPolarHBondContact O-CG 3.47Å; S175-E179 PolarHBondContact O-N 2.92Å; S175-E179 PolarHBondContact OG-OE1 3.42Å |
| 176 | R | 86.7 | Confident | 87 | Confident | 141 Ų | 141 | 83.7 Ų | 83.7 | 53% | 0.532 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 178.2 | -178.6 | 178 | 173.5 | 163.6 | 4.7 | 112.1 | M172 S173 R178 E179 E180 | M172-R176 WeakPolarHBondContact O-CB 3.41Å; M172-R176 PolarHBondContact O-N 2.77Å; S173-R176 PolarHBondContact O-N 3.46Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 3.28Å; R176-E179 PolarHBondContact O-N 3.14Å; R176-E180 HydrophobicContact CG-CG 4.49Å; R176-E180 WeakPolarHBondContact CG-OE1 3.37Å; R176-E180 IonicContact CZ-OE1 3.71Å; R176-E180 IonicContact NE-OE1 3.9Å; R176-E180 PolarHBondContact NE-OE1 3.17Å; R176-E180 IonicContact NH2-OE1 3.61Å; R176-E180 WeakPolarHBondContact O-CB 3.22Å; R176-E180 WeakPolarHBondContact O-CG 3.37Å; R176-E180 PolarHBondContact O-N 3.29Å |
| 177 | E | 88.4 | Confident | 86.8 | Confident | 116 Ų | 116 | 87.5 Ų | 87.5 | 54% | 0.542 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 176.6 | -73.2 | 172.8 | -171.2 | 0 | 0 | 112 | S173 S175 E180 M181 | S173-E177 WeakPolarHBondContact O-CG 3.42Å; S173-E177 PolarHBondContact O-N 3.01Å; S175-E177 PolarHBondContact O-N 3.38Å; E177-E180 PolarHBondContact O-N 3.02Å; E177-M181 WeakPolarHBondContact O-CG 3.22Å; E177-M181 PolarHBondContact O-N 3.08Å |
| 178 | R | 87.8 | Confident | 86.4 | Confident | 119 Ų | 119 | 88.3 Ų | 88.3 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 174.5 | -78.1 | -173.5 | -68.6 | -104.9 | -3.1 | 112.2 | E174 S175 R176 M181 S182 | E174-R178 WeakPolarHBondContact O-CG 3.49Å; E174-R178 PolarHBondContact O-N 3.11Å; E174-R178 IonicContact OE2-NH1 3.35Å; S175-R178 WeakPolarHBondContact O-CB 3.31Å; S175-R178 PolarHBondContact O-N 2.87Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 3.28Å; R178-M181 HydrophobicContact CG-CE 4.43Å; R178-M181 PolarHBondContact O-N 3.19Å; R178-S182 PolarHBondContact O-N 3.1Å |
| 179 | E | 87.2 | Confident | 86 | Confident | 112 Ų | 112 | 93.5 Ų | 93.5 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 176.6 | -73.2 | 165.6 | -150.6 | 0 | 0 | 111.3 | S175 R176 M181 S182 I183 | S175-E179 WeakPolarHBondContact O-CG 3.47Å; S175-E179 PolarHBondContact O-N 2.92Å; S175-E179 PolarHBondContact OG-OE1 3.42Å; R176-E179 PolarHBondContact O-N 3.14Å; E179-M181 PolarHBondContact O-N 2.85Å; E179-S182 PolarHBondContact O-N 3.24Å; E179-S182 VanDerWaalsContact O-N 3.14Å; E179-S182 PolarHBondContact O-OG 2.97Å; E179-I183 WeakPolarHBondContact O-CG1 3.46Å; E179-I183 PolarHBondContact O-N 3.36Å |
| 180 | E | 88.6 | Confident | 85.6 | Confident | 93 Ų | 93 | 98.8 Ų | 98.8 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 177.1 | -72.7 | 175.4 | -172.2 | 0 | 0 | 111.9 | R176 E177 S182 I183 | R176-E180 HydrophobicContact CG-CG 4.49Å; R176-E180 WeakPolarHBondContact CG-OE1 3.37Å; R176-E180 IonicContact CZ-OE1 3.71Å; R176-E180 IonicContact NE-OE1 3.9Å; R176-E180 PolarHBondContact NE-OE1 3.17Å; R176-E180 IonicContact NH2-OE1 3.61Å; R176-E180 WeakPolarHBondContact O-CB 3.22Å; R176-E180 WeakPolarHBondContact O-CG 3.37Å; R176-E180 PolarHBondContact O-N 3.29Å; E177-E180 PolarHBondContact O-N 3.02Å; E180-S182 VanDerWaalsContact C-N 3.33Å; E180-S182 PolarHBondContact O-N 2.87Å; E180-I183 PolarHBondContact O-N 3.24Å |
| 181 | M | 85.4 | Confident | 85.3 | Confident | 118 Ų | 118 | 96.8 Ų | 96.8 | 58% | 0.581 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.9 | -32.7 | 174.8 | -73.7 | -171.3 | -67.9 | 0 | 0 | 113.3 | E177 R178 E179 I183 I184 T185 | E177-M181 WeakPolarHBondContact O-CG 3.22Å; E177-M181 PolarHBondContact O-N 3.08Å; R178-M181 HydrophobicContact CG-CE 4.43Å; R178-M181 PolarHBondContact O-N 3.19Å; E179-M181 PolarHBondContact O-N 2.85Å; M181-I183 PolarHBondContact O-N 2.91Å; M181-I184 PolarHBondContact O-N 3.22Å; M181-T185 PolarHBondContact O-OG1 2.96Å |
| 182 | S | 88.6 | Confident | 84.9 | Confident | 80 Ų | 80 | 103.3 Ų | 103.3 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.7 | -19.6 | -179.9 | 76.7 | 0 | 0 | 0 | 0 | 114 | R178 E179 E180 | R178-S182 PolarHBondContact O-N 3.1Å; E179-S182 PolarHBondContact O-N 3.24Å; E179-S182 VanDerWaalsContact O-N 3.14Å; E179-S182 PolarHBondContact O-OG 2.97Å; E180-S182 VanDerWaalsContact C-N 3.33Å; E180-S182 PolarHBondContact O-N 2.87Å |
| 183 | I | 86.4 | Confident | 84.5 | Confident | 140 Ų | 140 | 106.4 Ų | 106.4 | 72% | 0.718 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -84.6 | -24.5 | 179 | -63.5 | 165.2 | 0 | 0 | 0 | 111.5 | E179 E180 M181 | E179-I183 WeakPolarHBondContact O-CG1 3.46Å; E179-I183 PolarHBondContact O-N 3.36Å; E180-I183 PolarHBondContact O-N 3.24Å; M181-I183 PolarHBondContact O-N 2.91Å |
| 184 | I | 77.9 | Confident | 84.1 | Confident | 148 Ų | 148 | 113.3 Ų | 113.3 | 76% | 0.759 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -86.6 | -14.7 | -174.1 | -61.3 | 169.3 | 0 | 0 | 0 | 112.1 | M181 | M181-I184 PolarHBondContact O-N 3.22Å |
| 185 | T | 54.2 | Low | 83.6 | Confident | 179 Ų | 179 | 117.3 Ų | 117.3 | 100% | 1.098 | 59% | 0.591 | S | S | * | * | trans | -108 | 0 | -177.6 | -44.9 | 0 | 0 | 0 | 0 | 111.2 | M181 | M181-T185 PolarHBondContact O-OG1 2.96Š|
Retrieved 185 of 185 residues in 75.6 ms
(Link to these results)