| 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 | 63.1 | Low | 89.6 | Confident | 173 Ų | 173 | 89.3 Ų | 89.3 | 85% | 0.852 | 43% | 0.433 | S | S | * | . | 0 | 123 | 0 | -118.2 | 168.7 | -176.8 | 0 | 0 | 106.4 | E87 | M1-E87 HydrophobicContact CE-CB 4.39Š| |||
| 2 | T | 79.4 | Confident | 89.6 | Confident | 84 Ų | 84 | 91.3 Ų | 91.3 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | trans | -59.5 | 133.3 | 169.9 | 37.4 | 0 | 0 | 0 | 0 | 108.9 | Y7 | T2-Y7 HydrophobicContact CG2-CE2 3.92Å; T2-Y7 WeakPolarHBondContact CG2-OH 3.29Å | ||
| 3 | K | 89 | Confident | 89.2 | Confident | 128 Ų | 128 | 88 Ų | 88 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | trans | -99.4 | 150.4 | -178.8 | -61.1 | -176.9 | 178.5 | 179.1 | 0 | 110.5 | E5 D6 Y7 | K3-E5 WeakPolarHBondContact CB-OE2 3.24Å; K3-E5 PolarHBondContact O-N 3.3Å; K3-D6 WeakPolarHBondContact CB-OD2 3.39Å; K3-D6 PolarHBondContact N-OD2 3Å; K3-D6 WeakPolarHBondContact O-CB 3.1Å; K3-D6 PolarHBondContact O-N 3.17Å; K3-Y7 WeakPolarHBondContact O-CD2 3.28Å | ||
| 4 | F | 92.6 | Very high | 88.6 | Confident | 7 Ų | 7 | 87 Ų | 87 | 3% | 0.031 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -53.2 | -43.2 | 175.2 | 167.7 | -97.8 | 0 | 0 | 0 | 111.2 | D6 Y7 Y8 L10 C31 V42 F86 H93 V95 | F4-D6 PolarHBondContact O-N 3.29Å; F4-Y7 PolarHBondContact O-N 3.42Å; F4-Y8 AromaticContact CD2-CD2 3.87Å; F4-Y8 HydrophobicContact CD2-CD2 3.87Å; F4-Y8 HydrophobicContact CD2-CG 4.18Å; F4-Y8 VanDerWaalsContact CE2-CB 3.48Å; F4-Y8 HydrophobicContact CE2-CD1 4.49Å; F4-Y8 AromaticContact CE2-CD2 3.82Å; F4-Y8 HydrophobicContact CE2-CD2 3.82Å; F4-Y8 AromaticContact CE2-CG 3.68Å; F4-Y8 HydrophobicContact CE2-CG 3.68Å; F4-Y8 VanDerWaalsContact CZ-CB 3.44Å; F4-Y8 HydrophobicContact CZ-CG 4.15Å; F4-Y8 PolarHBondContact O-N 3.01Å; F4-L10 HydrophobicContact CE1-CD2 3.86Å; F4-L10 HydrophobicContact CE1-CG 4.09Å; F4-L10 HydrophobicContact CZ-CD2 3.91Å; F4-C31 HydrophobicContact CE2-CB 4.49Å; F4-C31 HydrophobicContact CZ-CB 3.89Å; F4-V42 HydrophobicContact CD2-CG2 4.3Å; F4-V42 HydrophobicContact CE2-CB 4.03Å; F4-V42 HydrophobicContact CE2-CG1 4.3Å; F4-V42 HydrophobicContact CE2-CG2 3.72Å; F4-V42 HydrophobicContact CZ-CB 4.18Å; F4-V42 HydrophobicContact CZ-CG1 3.94Å; F4-V42 HydrophobicContact CZ-CG2 4.1Å; F4-F86 HydrophobicContact CB-CB 4.24Å; F4-F86 HydrophobicContact CB-CD1 4.38Å; F4-F86 HydrophobicContact CB-CD2 4Å; F4-F86 HydrophobicContact CB-CE2 4.42Å; F4-F86 HydrophobicContact CB-CG 3.96Å; F4-F86 AromaticContact CD2-CD2 3.92Å; F4-F86 HydrophobicContact CD2-CD2 3.92Å; F4-F86 AromaticContact CD2-CE2 3.97Å; F4-F86 HydrophobicContact CD2-CE2 3.97Å; F4-F86 HydrophobicContact CG-CD2 4.48Å; F4-H93 HydrophobicContact CB-CB 4.36Å; F4-H93 HydrophobicContact CD2-CB 4.19Å; F4-H93 HydrophobicContact CG-CB 4.36Å; F4-V95 HydrophobicContact CD2-CG2 4.05Å; F4-V95 HydrophobicContact CE2-CG2 3.89Å |
| 5 | E | 93.5 | Very high | 86.9 | Confident | 94 Ų | 94 | 83.6 Ų | 83.6 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.5 | -18.6 | -177.9 | -58.2 | 79.6 | -173.8 | 0 | 0 | 113.1 | K3 Y7 R34 | K3-E5 WeakPolarHBondContact CB-OE2 3.24Å; K3-E5 PolarHBondContact O-N 3.3Å; E5-Y7 VanDerWaalsContact C-N 3.26Å; E5-Y7 PolarHBondContact O-N 3.44Å; E5-R34 PolarHBondContact O-NE 2.84Å; E5-R34 PolarHBondContact O-NH2 2.84Å |
| 6 | D | 94.1 | Very high | 84.7 | Confident | 96 Ų | 96 | 91.1 Ų | 91.1 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.6 | -23.8 | 176 | -59 | -32.3 | 0 | 0 | 0 | 111.4 | K3 F4 R34 | K3-D6 WeakPolarHBondContact CB-OD2 3.39Å; K3-D6 PolarHBondContact N-OD2 3Å; K3-D6 WeakPolarHBondContact O-CB 3.1Å; K3-D6 PolarHBondContact O-N 3.17Å; F4-D6 PolarHBondContact O-N 3.29Å; D6-R34 WeakPolarHBondContact O-CD 3.5Å |
| 7 | Y | 96.4 | Very high | 82.6 | Confident | 102 Ų | 102 | 90.2 Ų | 90.2 | 40% | 0.4 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -115.5 | -24.1 | -173.5 | -64.7 | -94 | 0 | 0 | 0 | 113.8 | T2 K3 F4 E5 R34 F86 | T2-Y7 HydrophobicContact CG2-CE2 3.92Å; T2-Y7 WeakPolarHBondContact CG2-OH 3.29Å; K3-Y7 WeakPolarHBondContact O-CD2 3.28Å; F4-Y7 PolarHBondContact O-N 3.42Å; E5-Y7 VanDerWaalsContact C-N 3.26Å; E5-Y7 PolarHBondContact O-N 3.44Å; Y7-R34 VanDerWaalsContact C-CD 3.49Å; Y7-R34 VanDerWaalsContact O-CB 3.27Å; Y7-R34 WeakPolarHBondContact O-CB 3.44Å; Y7-R34 WeakPolarHBondContact O-CG 2.91Å; Y7-R34 PolarHBondContact O-N 2.76Å; Y7-F86 AromaticContact CD2-CE1 3.81Å; Y7-F86 HydrophobicContact CD2-CE1 3.81Å; Y7-F86 AromaticContact CD2-CZ 3.97Å; Y7-F86 HydrophobicContact CD2-CZ 3.97Å; Y7-F86 HydrophobicContact CE2-CE1 4.31Å; Y7-F86 HydrophobicContact CG-CZ 4.23Å |
| 8 | Y | 97 | Very high | 80.1 | Confident | 3 Ų | 3 | 87.5 Ų | 87.5 | 1% | 0.012 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 158.5 | -173.5 | -64.9 | -88.9 | 0 | 0 | 0 | 112.7 | F4 C31 M32 E33 R34 Y40 K83 E84 F86 V95 | F4-Y8 AromaticContact CD2-CD2 3.87Å; F4-Y8 HydrophobicContact CD2-CD2 3.87Å; F4-Y8 HydrophobicContact CD2-CG 4.18Å; F4-Y8 VanDerWaalsContact CE2-CB 3.48Å; F4-Y8 HydrophobicContact CE2-CD1 4.49Å; F4-Y8 AromaticContact CE2-CD2 3.82Å; F4-Y8 HydrophobicContact CE2-CD2 3.82Å; F4-Y8 AromaticContact CE2-CG 3.68Å; F4-Y8 HydrophobicContact CE2-CG 3.68Å; F4-Y8 VanDerWaalsContact CZ-CB 3.44Å; F4-Y8 HydrophobicContact CZ-CG 4.15Å; F4-Y8 PolarHBondContact O-N 3.01Å; Y8-C31 HydrophobicContact CD1-CB 4.48Å; Y8-M32 CarbonylContact C-O 3.39Å; Y8-M32 WeakPolarHBondContact CA-O 3.31Å; Y8-E33 HydrophobicContact CD1-CB 4.06Å; Y8-E33 HydrophobicContact CE1-CB 3.67Å; Y8-E33 HydrophobicContact CE1-CG 4.22Å; Y8-R34 PolarHBondContact O-NE 3.43Å; Y8-Y40 HydrophobicContact CD1-CD2 4.49Å; Y8-Y40 AromaticContact CE1-CD2 3.72Å; Y8-Y40 HydrophobicContact CE1-CD2 3.72Å; Y8-Y40 HydrophobicContact CE1-CE2 4.23Å; Y8-Y40 HydrophobicContact CE1-CG 4.35Å; Y8-K83 WeakPolarHBondContact OH-CD 3.33Å; Y8-K83 WeakPolarHBondContact OH-CE 3.49Å; Y8-K83 PolarHBondContact OH-NZ 2.89Å; Y8-E84 HydrophobicContact CE2-CG 4.38Å; Y8-E84 VanDerWaalsContact OH-CD 3.26Å; Y8-E84 PolarHBondContact OH-OE1 3.37Å; Y8-F86 AromaticContact CD2-CE2 3.96Å; Y8-F86 HydrophobicContact CD2-CE2 3.96Å; Y8-F86 HydrophobicContact CD2-CZ 4.1Å; Y8-F86 AromaticContact CE2-CE2 3.73Å; Y8-F86 HydrophobicContact CE2-CE2 3.73Å; Y8-F86 AromaticContact CE2-CZ 3.87Å; Y8-F86 HydrophobicContact CE2-CZ 3.87Å; Y8-V95 HydrophobicContact CD2-CG2 4.49Å; Y8-V95 HydrophobicContact CE1-CG1 3.92Å; Y8-V95 HydrophobicContact CE2-CG2 4.24Å |
| 9 | W | 94.4 | Very high | 77.9 | Confident | 116 Ų | 116 | 85.8 Ų | 85.8 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.5 | 164.4 | -41.7 | 96.8 | 0 | 0 | 0 | 108.7 | C31 M32 R34 | W9-C31 CarbonylContact O-C 3.58Å; W9-C31 WeakPolarHBondContact O-CA 3.4Å; W9-C31 VanDerWaalsContact O-CB 3.31Å; W9-C31 WeakPolarHBondContact O-CB 3.37Å; W9-M32 PolarHBondContact N-O 3.42Å; W9-M32 PolarHBondContact O-N 2.85Å; W9-R34 HydrophobicContact CD2-CG 4.05Å; W9-R34 VanDerWaalsContact CE3-CZ 3.46Å; W9-R34 HydrophobicContact CG-CG 4.27Å; W9-R34 HydrophobicContact CZ2-CG 3.73Å |
| 10 | L | 93.5 | Very high | 76.1 | Confident | 104 Ų | 104 | 83.2 Ų | 83.2 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.8 | 167.6 | -64.7 | 174.5 | 0 | 0 | 0 | 109.2 | F4 A29 C31 V42 | F4-L10 HydrophobicContact CE1-CD2 3.86Å; F4-L10 HydrophobicContact CE1-CG 4.09Å; F4-L10 HydrophobicContact CZ-CD2 3.91Å; L10-A29 HydrophobicContact CD2-CB 3.85Å; L10-C31 HydrophobicContact CD2-CB 4.29Å; L10-V42 HydrophobicContact CD2-CG1 3.6Å |
| 11 | V | 92.1 | Very high | 74.2 | Confident | 75 Ų | 75 | 81.4 Ų | 81.4 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -62.4 | -179.7 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | L30 M32 L39 | V11-L30 HydrophobicContact CB-CB 4.21Å; V11-L30 HydrophobicContact CB-CD2 4.05Å; V11-L30 HydrophobicContact CB-CG 4.08Å; V11-L30 HydrophobicContact CG1-CD2 3.9Å; V11-L30 HydrophobicContact CG1-CG 4.48Å; V11-L30 HydrophobicContact CG2-CG 4.44Å; V11-L30 PolarHBondContact N-O 3.48Å; V11-M32 HydrophobicContact CG2-CB 3.91Å; V11-L39 HydrophobicContact CG2-CD2 4.27Å |
| 12 | E | 90 | Very high | 72.8 | Confident | 114 Ų | 114 | 78.6 Ų | 78.6 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 158.7 | 179.8 | 63.2 | -179.3 | -176.1 | 0 | 0 | 111.1 | A29 L30 | E12-A29 CarbonylContact O-C 3.6Å; E12-A29 VanDerWaalsContact O-CA 3.29Å; E12-A29 WeakPolarHBondContact O-CA 3.4Å; E12-A29 VanDerWaalsContact O-CB 3.31Å; E12-A29 WeakPolarHBondContact O-CB 3.48Å; E12-L30 HydrophobicContact CG-CB 3.88Å; E12-L30 HydrophobicContact CG-CD2 4.04Å; E12-L30 PolarHBondContact O-N 2.64Å |
| 13 | G | 84.6 | Confident | 70.8 | Confident | 48 Ų | 48 | 82.9 Ų | 82.9 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 14 | L | 80 | Confident | 68.9 | Low | 74 Ų | 74 | 77.6 Ų | 77.6 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -19.7 | 174.8 | -67.2 | 173.5 | 0 | 0 | 0 | 111.7 | V28 L30 A41 F98 | L14-V28 HydrophobicContact CB-CG1 4.34Å; L14-V28 HydrophobicContact CD1-CG1 4.32Å; L14-V28 PolarHBondContact N-O 3.37Å; L14-L30 HydrophobicContact CD1-CB 4.15Å; L14-L30 HydrophobicContact CD2-CB 4.09Å; L14-L30 HydrophobicContact CG-CB 4.02Å; L14-A41 HydrophobicContact CD1-CB 4.27Å; L14-F98 HydrophobicContact CD1-CD2 4.04Å; L14-F98 HydrophobicContact CD1-CE2 3.73Å; L14-F98 HydrophobicContact CD2-CE2 4.1Å |
| 15 | G | 63.9 | Low | 67.2 | Low | 36 Ų | 36 | 78.9 Ų | 78.9 | 37% | 0.371 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.6 | 166.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V28 | G15-V28 PolarHBondContact N-O 3.41Å; G15-V28 PolarHBondContact O-N 3.08Å |
| 16 | R | 51.3 | Low | 66 | Low | 204 Ų | 204 | 75 Ų | 75 | 77% | 0.77 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 126.3 | 159.1 | -69.2 | -177.2 | -179.6 | -166.2 | 0.4 | 105.9 | P18 F27 | R16-P18 VanDerWaalsContact O-CD 3.24Å; R16-P18 WeakPolarHBondContact O-CD 3.25Å; R16-F27 HydrophobicContact CG-CD2 4.23Å |
| 17 | K | 50 | Low | 65.4 | Low | 76 Ų | 76 | 73.7 Ų | 73.7 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 116.2 | 163 | -71.9 | -162.7 | 171.9 | -168.6 | 0 | 106 | I19 N147 D163 | K17-I19 PolarHBondContact O-N 3.17Å; K17-N147 PolarHBondContact NZ-OD1 3.42Å; K17-D163 IonicContact NZ-OD2 3.9Å; K17-D163 PolarHBondContact NZ-OD2 3.29Å |
| 18 | P | 37.3 | Very low | 64.9 | Low | 41 Ų | 41 | 70.1 Ų | 70.1 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 127.5 | 174.1 | -7.6 | 24.5 | 0 | 0 | 0 | 106.5 | R16 Y305 F306 | R16-P18 VanDerWaalsContact O-CD 3.24Å; R16-P18 WeakPolarHBondContact O-CD 3.25Å; P18-Y305 HydrophobicContact CG-CD1 4.18Å; P18-F306 HydrophobicContact CG-CE1 4.25Å; P18-F306 HydrophobicContact CG-CZ 4.41Å |
| 19 | I | 37.4 | Very low | 64.6 | Low | 56 Ų | 56 | 70 Ų | 70 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | trans | 72.6 | 82.7 | 161.2 | -43.4 | 163.7 | 0 | 0 | 0 | 113.6 | K17 L181 I308 | K17-I19 PolarHBondContact O-N 3.17Å; I19-L181 HydrophobicContact CG2-CD1 4.16Å; I19-L181 HydrophobicContact CG2-CD2 4.06Å; I19-L181 WeakPolarHBondContact O-CD1 3.3Å; I19-I308 HydrophobicContact CD1-CB 4.21Å | ||
| 20 | Q | 43.2 | Very low | 64.6 | Low | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | S | Bend | -81.5 | 146.7 | 124.2 | -65.6 | -149.6 | -54.7 | 0 | 0 | 106.3 | Q22 S24 E177 | Q20-Q22 PolarHBondContact O-N 3.06Å; Q20-S24 WeakPolarHBondContact CB-OG 3.42Å; Q20-S24 PolarHBondContact OE1-OG 2.97Å; Q20-E177 WeakPolarHBondContact CG-OE1 3.44Å; Q20-E177 PolarHBondContact NE2-OE1 3.24Å; Q20-E177 PolarHBondContact NE2-OE2 3.11Å; Q20-E177 VanDerWaalsContact NE2-OE2 3.12Å | |
| 21 | P | 35.9 | Very low | 64.8 | Low | 45 Ų | 45 | 60 Ų | 60 | 29% | 0.292 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -51.1 | 116.6 | -167.8 | 18.2 | -30.5 | 0 | 0 | 0 | 111.7 | Y23 E177 | P21-Y23 PolarHBondContact O-N 2.88Å; P21-E177 HydrophobicContact CG-CG 4.47Å |
| 22 | Q | 32.9 | Very low | 65 | Low | 114 Ų | 114 | 59.2 Ų | 59.2 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 26.8 | 3.1 | 170.3 | -71.2 | -172.6 | -0.2 | 0 | 0 | 122.5 | Q20 | Q20-Q22 PolarHBondContact O-N 3.06Š|
| 23 | Y | 38.3 | Very low | 65.4 | Low | 175 Ų | 175 | 54.7 Ų | 54.7 | 69% | 0.686 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -146.2 | -7.3 | -175.3 | -63.4 | -75.1 | 0 | 0 | 0 | 115.8 | P21 N48 | P21-Y23 PolarHBondContact O-N 2.88Å; Y23-N48 VanDerWaalsContact C-ND2 3.33Å; Y23-N48 WeakPolarHBondContact CB-ND2 3.45Å; Y23-N48 PolarHBondContact O-ND2 3.39Å; Y23-N48 PolarHBondContact O-OD1 3.23Å |
| 24 | S | 48.4 | Very low | 66 | Low | 16 Ų | 16 | 56.4 Ų | 56.4 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | trans | -105.1 | 99.2 | 174.7 | 54 | 0 | 0 | 0 | 0 | 112 | Q20 T26 | Q20-S24 WeakPolarHBondContact CB-OG 3.42Å; Q20-S24 PolarHBondContact OE1-OG 2.97Å; S24-T26 PolarHBondContact O-N 3.21Å | ||
| 25 | G | 56.7 | Low | 66.7 | Low | 34 Ų | 34 | 62.7 Ų | 62.7 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | trans | -64.8 | 95.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q46 | G25-Q46 WeakPolarHBondContact O-CG 3.21Å; G25-Q46 PolarHBondContact O-N 3.12Å | ||
| 26 | T | 69.4 | Low | 68.3 | Low | 13 Ų | 13 | 63.1 Ų | 63.1 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.2 | 171.3 | -61.9 | 0 | 0 | 0 | 0 | 110 | S24 K43 V44 I45 | S24-T26 PolarHBondContact O-N 3.21Å; T26-K43 HydrophobicContact CG2-CD 4.28Å; T26-K43 HydrophobicContact CG2-CG 3.82Å; T26-V44 VanDerWaalsContact CA-O 3.29Å; T26-V44 WeakPolarHBondContact CA-O 3.25Å; T26-I45 HydrophobicContact CG2-CG1 4.22Å |
| 27 | F | 79.9 | Confident | 70.4 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.9 | 179 | 167 | -108 | 0 | 0 | 0 | 109.9 | R16 A29 K43 V44 | R16-F27 HydrophobicContact CG-CD2 4.23Å; F27-A29 HydrophobicContact CD1-CB 4.27Å; F27-A29 HydrophobicContact CE1-CB 3.33Å; F27-A29 HydrophobicContact CZ-CB 3.54Å; F27-K43 WeakPolarHBondContact O-CA 3.5Å; F27-V44 HydrophobicContact CD1-CG2 4.35Å; F27-V44 PolarHBondContact N-O 3.41Å; F27-V44 PolarHBondContact O-N 3.34Å |
| 28 | V | 86.4 | Confident | 72.6 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127 | 175.1 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | L14 G15 V42 K43 | L14-V28 HydrophobicContact CB-CG1 4.34Å; L14-V28 HydrophobicContact CD1-CG1 4.32Å; L14-V28 PolarHBondContact N-O 3.37Å; G15-V28 PolarHBondContact N-O 3.41Å; G15-V28 PolarHBondContact O-N 3.08Å; V28-V42 WeakPolarHBondContact CA-O 3.29Å; V28-K43 HydrophobicContact CG2-CB 4.39Å; V28-K43 HydrophobicContact CG2-CG 4.15Å |
| 29 | A | 91.2 | Very high | 75.5 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 154 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L10 E12 F27 A41 V42 | L10-A29 HydrophobicContact CD2-CB 3.85Å; E12-A29 CarbonylContact O-C 3.6Å; E12-A29 VanDerWaalsContact O-CA 3.29Å; E12-A29 WeakPolarHBondContact O-CA 3.4Å; E12-A29 VanDerWaalsContact O-CB 3.31Å; E12-A29 WeakPolarHBondContact O-CB 3.48Å; F27-A29 HydrophobicContact CD1-CB 4.27Å; F27-A29 HydrophobicContact CE1-CB 3.33Å; F27-A29 HydrophobicContact CZ-CB 3.54Å; A29-A41 CarbonylContact O-C 3.53Å; A29-A41 WeakPolarHBondContact O-CA 3.38Å; A29-V42 HydrophobicContact CB-CG1 3.93Å; A29-V42 PolarHBondContact N-O 3.19Å; A29-V42 PolarHBondContact O-N 3.38Å |
| 30 | L | 94.8 | Very high | 78.3 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.4 | 160.8 | -172.8 | 67.5 | 0 | 0 | 0 | 107.8 | V11 E12 L14 L39 F98 | V11-L30 HydrophobicContact CB-CB 4.21Å; V11-L30 HydrophobicContact CB-CD2 4.05Å; V11-L30 HydrophobicContact CB-CG 4.08Å; V11-L30 HydrophobicContact CG1-CD2 3.9Å; V11-L30 HydrophobicContact CG1-CG 4.48Å; V11-L30 HydrophobicContact CG2-CG 4.44Å; V11-L30 PolarHBondContact N-O 3.48Å; E12-L30 HydrophobicContact CG-CB 3.88Å; E12-L30 HydrophobicContact CG-CD2 4.04Å; E12-L30 PolarHBondContact O-N 2.64Å; L14-L30 HydrophobicContact CD1-CB 4.15Å; L14-L30 HydrophobicContact CD2-CB 4.09Å; L14-L30 HydrophobicContact CG-CB 4.02Å; L30-L39 HydrophobicContact CD1-CB 4.16Å; L30-L39 HydrophobicContact CD1-CD2 4.29Å; L30-L39 HydrophobicContact CD2-CD1 4.47Å; L30-L39 HydrophobicContact CD2-CD2 4.22Å; L30-L39 HydrophobicContact CG-CD2 4.17Å; L30-F98 HydrophobicContact CD1-CB 4.49Å; L30-F98 HydrophobicContact CD1-CD1 3.79Å; L30-F98 HydrophobicContact CD1-CD2 3.78Å; L30-F98 HydrophobicContact CD1-CE1 3.86Å; L30-F98 HydrophobicContact CD1-CE2 3.87Å; L30-F98 HydrophobicContact CD1-CG 3.75Å; L30-F98 HydrophobicContact CD1-CZ 3.91Å |
| 31 | C | 96.5 | Very high | 80.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.1 | 173 | 70.1 | 0 | 0 | 0 | 0 | 111.1 | F4 Y8 W9 L10 L39 Y40 V42 | F4-C31 HydrophobicContact CE2-CB 4.49Å; F4-C31 HydrophobicContact CZ-CB 3.89Å; Y8-C31 HydrophobicContact CD1-CB 4.48Å; W9-C31 CarbonylContact O-C 3.58Å; W9-C31 WeakPolarHBondContact O-CA 3.4Å; W9-C31 VanDerWaalsContact O-CB 3.31Å; W9-C31 WeakPolarHBondContact O-CB 3.37Å; L10-C31 HydrophobicContact CD2-CB 4.29Å; C31-L39 CarbonylContact O-C 3.44Å; C31-L39 WeakPolarHBondContact O-CA 3.37Å; C31-Y40 PolarHBondContact N-O 2.68Å; C31-Y40 PolarHBondContact O-N 2.93Å; C31-V42 HydrophobicContact CB-CB 4.46Å; C31-V42 HydrophobicContact CB-CG1 3.93Å |
| 32 | M | 97.4 | Very high | 83.4 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 28% | 0.281 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128 | 179.3 | -175.9 | -177.2 | -70.2 | 0 | 0 | 109.7 | Y8 W9 V11 R34 K37 L38 L39 | Y8-M32 CarbonylContact C-O 3.39Å; Y8-M32 WeakPolarHBondContact CA-O 3.31Å; W9-M32 PolarHBondContact N-O 3.42Å; W9-M32 PolarHBondContact O-N 2.85Å; V11-M32 HydrophobicContact CG2-CB 3.91Å; M32-R34 PolarHBondContact O-N 2.71Å; M32-K37 HydrophobicContact SD-CB 4.17Å; M32-K37 HydrophobicContact SD-CD 4.02Å; M32-L38 WeakPolarHBondContact CA-O 3.14Å; M32-L39 HydrophobicContact CB-CD2 4.07Å; M32-L39 HydrophobicContact CE-CD2 3.81Å; M32-L39 HydrophobicContact CG-CD2 4.37Å |
| 33 | E | 97.6 | Very high | 86 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 127.8 | 174 | -179.8 | 176.8 | -156.7 | 0 | 0 | 110.5 | Y8 R35 T36 K37 L38 Y40 K83 | Y8-E33 HydrophobicContact CD1-CB 4.06Å; Y8-E33 HydrophobicContact CE1-CB 3.67Å; Y8-E33 HydrophobicContact CE1-CG 4.22Å; E33-R35 VanDerWaalsContact C-N 3.33Å; E33-R35 PolarHBondContact O-N 2.87Å; E33-T36 WeakPolarHBondContact CB-OG1 3.45Å; E33-T36 HydrophobicContact CG-CG2 4.45Å; E33-T36 WeakPolarHBondContact CG-OG1 3.37Å; E33-T36 WeakPolarHBondContact OE2-CB 3.44Å; E33-T36 VanDerWaalsContact OE2-CG2 3.29Å; E33-T36 WeakPolarHBondContact OE2-CG2 3.32Å; E33-T36 PolarHBondContact OE2-OG1 3.36Å; E33-K37 VanDerWaalsContact O-CA 3.24Å; E33-K37 WeakPolarHBondContact O-CA 3.49Å; E33-K37 PolarHBondContact O-N 3.31Å; E33-L38 PolarHBondContact N-O 3.41Å; E33-Y40 HydrophobicContact CB-CD2 4.18Å; E33-Y40 HydrophobicContact CB-CE2 3.81Å; E33-K83 IonicContact OE1-NZ 3.2Å; E33-K83 PolarHBondContact OE1-NZ 2.97Å; E33-K83 IonicContact OE2-NZ 2.78Å; E33-K83 PolarHBondContact OE2-NZ 3.33Å |
| 34 | R | 97.1 | Very high | 88.3 | Confident | 83 Ų | 83 | 46.2 Ų | 46.2 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -45.7 | -175.4 | -84.9 | 165.8 | -179.3 | -106.1 | 6.4 | 113.3 | E5 D6 Y7 Y8 W9 M32 K37 | E5-R34 PolarHBondContact O-NE 2.84Å; E5-R34 PolarHBondContact O-NH2 2.84Å; D6-R34 WeakPolarHBondContact O-CD 3.5Å; Y7-R34 VanDerWaalsContact C-CD 3.49Å; Y7-R34 VanDerWaalsContact O-CB 3.27Å; Y7-R34 WeakPolarHBondContact O-CB 3.44Å; Y7-R34 WeakPolarHBondContact O-CG 2.91Å; Y7-R34 PolarHBondContact O-N 2.76Å; Y8-R34 PolarHBondContact O-NE 3.43Å; W9-R34 HydrophobicContact CD2-CG 4.05Å; W9-R34 VanDerWaalsContact CE3-CZ 3.46Å; W9-R34 HydrophobicContact CG-CG 4.27Å; W9-R34 HydrophobicContact CZ2-CG 3.73Å; M32-R34 PolarHBondContact O-N 2.71Å; R34-K37 WeakPolarHBondContact O-CE 3.38Å; R34-K37 PolarHBondContact O-NZ 3.18Å |
| 35 | R | 96 | Very high | 89.7 | Confident | 207 Ų | 207 | 45.9 Ų | 45.9 | 78% | 0.781 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -46.6 | -171.3 | -172.8 | -176.7 | 68.5 | 90.7 | 0.4 | 112.4 | E33 | E33-R35 VanDerWaalsContact C-N 3.33Å; E33-R35 PolarHBondContact O-N 2.87Å |
| 36 | T | 96.4 | Very high | 90.6 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 27% | 0.27 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -18.5 | -171.1 | 63.3 | 0 | 0 | 0 | 0 | 113 | E33 L38 | E33-T36 WeakPolarHBondContact CB-OG1 3.45Å; E33-T36 HydrophobicContact CG-CG2 4.45Å; E33-T36 WeakPolarHBondContact CG-OG1 3.37Å; E33-T36 WeakPolarHBondContact OE2-CB 3.44Å; E33-T36 VanDerWaalsContact OE2-CG2 3.29Å; E33-T36 WeakPolarHBondContact OE2-CG2 3.32Å; E33-T36 PolarHBondContact OE2-OG1 3.36Å; T36-L38 PolarHBondContact O-N 3.02Å; T36-L38 WeakPolarHBondContact OG1-CB 3.35Å; T36-L38 PolarHBondContact OG1-N 3.25Å |
| 37 | K | 96.1 | Very high | 90.8 | Very high | 122 Ų | 122 | 50.2 Ų | 50.2 | 53% | 0.53 | 23% | 0.232 | S | C | . | . | trans | 62.8 | 14.1 | -170 | -49.6 | -54.9 | -173.5 | -167.1 | 0 | 114.4 | M32 E33 R34 | M32-K37 HydrophobicContact SD-CB 4.17Å; M32-K37 HydrophobicContact SD-CD 4.02Å; E33-K37 VanDerWaalsContact O-CA 3.24Å; E33-K37 WeakPolarHBondContact O-CA 3.49Å; E33-K37 PolarHBondContact O-N 3.31Å; R34-K37 WeakPolarHBondContact O-CE 3.38Å; R34-K37 PolarHBondContact O-NZ 3.18Å | ||
| 38 | L | 96.4 | Very high | 90 | Very high | 96 Ų | 96 | 49.7 Ų | 49.7 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | trans | -74 | 144.2 | 175 | -64.8 | 175.4 | 0 | 0 | 0 | 111.1 | M32 E33 T36 Y40 | M32-L38 WeakPolarHBondContact CA-O 3.14Å; E33-L38 PolarHBondContact N-O 3.41Å; T36-L38 PolarHBondContact O-N 3.02Å; T36-L38 WeakPolarHBondContact OG1-CB 3.35Å; T36-L38 PolarHBondContact OG1-N 3.25Å; L38-Y40 HydrophobicContact CB-CE2 3.72Å; L38-Y40 WeakPolarHBondContact O-CD2 3.46Å | ||
| 39 | L | 96.4 | Very high | 88.3 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 143.3 | 177.9 | -67.3 | 175.3 | 0 | 0 | 0 | 111.3 | V11 L30 C31 M32 F98 | V11-L39 HydrophobicContact CG2-CD2 4.27Å; L30-L39 HydrophobicContact CD1-CB 4.16Å; L30-L39 HydrophobicContact CD1-CD2 4.29Å; L30-L39 HydrophobicContact CD2-CD1 4.47Å; L30-L39 HydrophobicContact CD2-CD2 4.22Å; L30-L39 HydrophobicContact CG-CD2 4.17Å; C31-L39 CarbonylContact O-C 3.44Å; C31-L39 WeakPolarHBondContact O-CA 3.37Å; M32-L39 HydrophobicContact CB-CD2 4.07Å; M32-L39 HydrophobicContact CE-CD2 3.81Å; M32-L39 HydrophobicContact CG-CD2 4.37Å; L39-F98 HydrophobicContact CB-CD1 4.39Å |
| 40 | Y | 96.6 | Very high | 86.6 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.8 | 179.1 | -65.7 | -79.5 | 0 | 0 | 0 | 109.7 | Y8 C31 E33 L38 K83 V95 V96 | Y8-Y40 HydrophobicContact CD1-CD2 4.49Å; Y8-Y40 AromaticContact CE1-CD2 3.72Å; Y8-Y40 HydrophobicContact CE1-CD2 3.72Å; Y8-Y40 HydrophobicContact CE1-CE2 4.23Å; Y8-Y40 HydrophobicContact CE1-CG 4.35Å; C31-Y40 PolarHBondContact N-O 2.68Å; C31-Y40 PolarHBondContact O-N 2.93Å; E33-Y40 HydrophobicContact CB-CD2 4.18Å; E33-Y40 HydrophobicContact CB-CE2 3.81Å; L38-Y40 HydrophobicContact CB-CE2 3.72Å; L38-Y40 WeakPolarHBondContact O-CD2 3.46Å; Y40-K83 HydrophobicContact CD1-CD 3.93Å; Y40-K83 HydrophobicContact CE1-CD 3.42Å; Y40-K83 VanDerWaalsContact CE1-CD 3.42Å; Y40-K83 HydrophobicContact CE2-CD 4.12Å; Y40-K83 HydrophobicContact CG-CD 4.49Å; Y40-K83 PolarHBondContact OH-NZ 3.3Å; Y40-V95 HydrophobicContact CD1-CG1 4.37Å; Y40-V95 HydrophobicContact CG-CG1 4.04Å; Y40-V96 WeakPolarHBondContact CB-O 3.27Å; Y40-V96 WeakPolarHBondContact CD1-O 3.43Å |
| 41 | A | 94 | Very high | 84.4 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 138.8 | 165 | 0 | 0 | 0 | 0 | 0 | 108.9 | L14 A29 V95 V96 F98 | L14-A41 HydrophobicContact CD1-CB 4.27Å; A29-A41 CarbonylContact O-C 3.53Å; A29-A41 WeakPolarHBondContact O-CA 3.38Å; A41-V95 WeakPolarHBondContact O-CA 3.39Å; A41-V96 HydrophobicContact CB-CG2 3.88Å; A41-V96 PolarHBondContact N-O 2.77Å; A41-V96 PolarHBondContact O-N 3.42Å; A41-F98 HydrophobicContact CB-CD2 4.38Å |
| 42 | V | 93 | Very high | 82.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.9 | 170.2 | 60.7 | 0 | 0 | 0 | 0 | 109.4 | F4 L10 V28 A29 C31 V44 H93 I94 V95 | F4-V42 HydrophobicContact CD2-CG2 4.3Å; F4-V42 HydrophobicContact CE2-CB 4.03Å; F4-V42 HydrophobicContact CE2-CG1 4.3Å; F4-V42 HydrophobicContact CE2-CG2 3.72Å; F4-V42 HydrophobicContact CZ-CB 4.18Å; F4-V42 HydrophobicContact CZ-CG1 3.94Å; F4-V42 HydrophobicContact CZ-CG2 4.1Å; L10-V42 HydrophobicContact CD2-CG1 3.6Å; V28-V42 WeakPolarHBondContact CA-O 3.29Å; A29-V42 HydrophobicContact CB-CG1 3.93Å; A29-V42 PolarHBondContact N-O 3.19Å; A29-V42 PolarHBondContact O-N 3.38Å; C31-V42 HydrophobicContact CB-CB 4.46Å; C31-V42 HydrophobicContact CB-CG1 3.93Å; V42-V44 HydrophobicContact CG2-CG2 4.17Å; V42-H93 HydrophobicContact CG2-CB 3.97Å; V42-I94 WeakPolarHBondContact CA-O 3.27Å; V42-V95 HydrophobicContact CG2-CG2 4.27Å |
| 43 | K | 87.9 | Confident | 80 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.3 | 169.9 | -173.6 | 175.8 | -172 | 175.1 | 0 | 108.6 | T26 F27 V28 I45 I94 D163 | T26-K43 HydrophobicContact CG2-CD 4.28Å; T26-K43 HydrophobicContact CG2-CG 3.82Å; F27-K43 WeakPolarHBondContact O-CA 3.5Å; V28-K43 HydrophobicContact CG2-CB 4.39Å; V28-K43 HydrophobicContact CG2-CG 4.15Å; K43-I45 HydrophobicContact CD-CD1 4.34Å; K43-I45 HydrophobicContact CD-CG1 4.47Å; K43-I45 HydrophobicContact CG-CD1 4.48Å; K43-I45 HydrophobicContact CG-CG1 4.11Å; K43-I94 HydrophobicContact CB-CB 4.35Å; K43-I94 PolarHBondContact N-O 3.46Å; K43-I94 PolarHBondContact O-N 3.25Å; K43-D163 IonicContact NZ-OD1 3.29Å; K43-D163 PolarHBondContact NZ-OD1 2.98Å; K43-D163 IonicContact NZ-OD2 3.75Å; K43-D163 PolarHBondContact NZ-OD2 2.98Å |
| 44 | V | 86.2 | Confident | 77.6 | Confident | 25 Ų | 25 | 73.5 Ų | 73.5 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.9 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | T26 F27 V42 W92 | T26-V44 VanDerWaalsContact CA-O 3.29Å; T26-V44 WeakPolarHBondContact CA-O 3.25Å; F27-V44 HydrophobicContact CD1-CG2 4.35Å; F27-V44 PolarHBondContact N-O 3.41Å; F27-V44 PolarHBondContact O-N 3.34Å; V42-V44 HydrophobicContact CG2-CG2 4.17Å; V44-W92 CarbonylContact C-O 3.56Å; V44-W92 VanDerWaalsContact CA-O 3.29Å; V44-W92 WeakPolarHBondContact CA-O 3.27Å |
| 45 | I | 78.6 | Confident | 75.2 | Confident | 8 Ų | 8 | 75.1 Ų | 75.1 | 4% | 0.041 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.3 | 177.8 | -56.7 | 179.8 | 0 | 0 | 0 | 108 | T26 K43 S91 W92 I94 F169 | T26-I45 HydrophobicContact CG2-CG1 4.22Å; K43-I45 HydrophobicContact CD-CD1 4.34Å; K43-I45 HydrophobicContact CD-CG1 4.47Å; K43-I45 HydrophobicContact CG-CD1 4.48Å; K43-I45 HydrophobicContact CG-CG1 4.11Å; I45-S91 CarbonylContact O-C 3.11Å; I45-S91 WeakPolarHBondContact O-CA 3.42Å; I45-S91 WeakPolarHBondContact O-CB 3.29Å; I45-W92 HydrophobicContact CB-CB 4.46Å; I45-W92 PolarHBondContact N-O 3.44Å; I45-W92 PolarHBondContact O-N 3.01Å; I45-I94 HydrophobicContact CD1-CD1 3.63Å; I45-I94 HydrophobicContact CG1-CD1 4.3Å; I45-F169 HydrophobicContact CD1-CB 3.83Å |
| 46 | Q | 75.7 | Confident | 72.7 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 133.5 | 173.8 | -72.3 | 178.5 | -6.5 | 0 | 0 | 110.8 | G25 N48 | G25-Q46 WeakPolarHBondContact O-CG 3.21Å; G25-Q46 PolarHBondContact O-N 3.12Å; Q46-N48 PolarHBondContact O-N 3.31Å |
| 47 | K | 73.6 | Confident | 70.3 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | trans | -76.9 | 118.8 | 172 | -66.5 | 175.3 | 173.7 | 179.4 | 0 | 107.7 | V49 E87 T88 F90 W92 | K47-V49 HydrophobicContact CB-CG2 3.71Å; K47-V49 WeakPolarHBondContact O-CG2 3.21Å; K47-V49 PolarHBondContact O-N 3.38Å; K47-E87 VanDerWaalsContact NZ-CD 3.34Å; K47-E87 IonicContact NZ-OE1 3.74Å; K47-E87 PolarHBondContact NZ-OE1 3.13Å; K47-T88 PolarHBondContact NZ-O 3.19Å; K47-F90 PolarHBondContact N-O 2.87Å; K47-W92 VanDerWaalsContact CE-CE2 3.42Å; K47-W92 VanDerWaalsContact CE-NE1 3.26Å | ||
| 48 | N | 61.4 | Low | 67.8 | Low | 57 Ų | 57 | 69.8 Ų | 69.8 | 31% | 0.305 | 34% | 0.341 | S | S | . | . | trans | -73.8 | 107.7 | 165 | -76.9 | -17.6 | 0 | 0 | 0 | 107.9 | Y23 Q46 D53 | Y23-N48 VanDerWaalsContact C-ND2 3.33Å; Y23-N48 WeakPolarHBondContact CB-ND2 3.45Å; Y23-N48 PolarHBondContact O-ND2 3.39Å; Y23-N48 PolarHBondContact O-OD1 3.23Å; Q46-N48 PolarHBondContact O-N 3.31Å; N48-D53 WeakPolarHBondContact O-CB 3.42Å | ||
| 49 | V | 52.5 | Low | 65.2 | Low | 44 Ų | 44 | 72.4 Ų | 72.4 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | trans | -110 | 79.3 | -174.8 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | K47 R54 I57 | K47-V49 HydrophobicContact CB-CG2 3.71Å; K47-V49 WeakPolarHBondContact O-CG2 3.21Å; K47-V49 PolarHBondContact O-N 3.38Å; V49-R54 HydrophobicContact CG1-CB 4.39Å; V49-R54 HydrophobicContact CG1-CG 3.05Å; V49-I57 HydrophobicContact CG2-CD1 4.39Å | ||
| 50 | T | 54.5 | Low | 62.6 | Low | 78 Ų | 78 | 73 Ų | 73 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | trans | -65.9 | 161.7 | 154.1 | 73 | 0 | 0 | 0 | 0 | 109.1 | L52 D53 R54 | T50-L52 PolarHBondContact O-N 3.04Å; T50-D53 WeakPolarHBondContact CB-OD2 3.28Å; T50-D53 VanDerWaalsContact CG2-OD2 3.28Å; T50-D53 WeakPolarHBondContact CG2-OD2 3.4Å; T50-D53 PolarHBondContact N-OD2 3.01Å; T50-D53 WeakPolarHBondContact O-CB 3.46Å; T50-D53 PolarHBondContact O-N 3.2Å; T50-D53 VanDerWaalsContact O-N 3.1Å; T50-D53 PolarHBondContact OG1-N 3.24Å; T50-D53 VanDerWaalsContact OG1-N 3.13Å; T50-D53 PolarHBondContact OG1-OD2 3.4Å; T50-R54 PolarHBondContact O-N 3.35Å | ||
| 51 | K | 48.5 | Very low | 60.2 | Low | 182 Ų | 182 | 72.5 Ų | 72.5 | 79% | 0.791 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.8 | -35.5 | 176 | -92.1 | -178.1 | 178 | 176.2 | 0 | 112 | R54 | K51-R54 PolarHBondContact O-N 3.22Å |
| 52 | L | 50.1 | Low | 58 | Low | 124 Ų | 124 | 76.2 Ų | 76.2 | 65% | 0.649 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.9 | -40.5 | 173.7 | -93.7 | 91.3 | 0 | 0 | 0 | 111.4 | T50 R54 L55 N56 | T50-L52 PolarHBondContact O-N 3.04Å; L52-R54 PolarHBondContact O-N 3.04Å; L52-L55 PolarHBondContact O-N 3.39Å; L52-N56 PolarHBondContact O-N 3.4Å; L52-N56 VanDerWaalsContact O-N 3.14Å |
| 53 | D | 50.6 | Low | 55.8 | Low | 35 Ų | 35 | 81.1 Ų | 81.1 | 19% | 0.187 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.5 | -33.5 | 177.9 | -62 | -37.8 | 0 | 0 | 0 | 111.7 | N48 T50 L55 N56 I57 | N48-D53 WeakPolarHBondContact O-CB 3.42Å; T50-D53 WeakPolarHBondContact CB-OD2 3.28Å; T50-D53 VanDerWaalsContact CG2-OD2 3.28Å; T50-D53 WeakPolarHBondContact CG2-OD2 3.4Å; T50-D53 PolarHBondContact N-OD2 3.01Å; T50-D53 WeakPolarHBondContact O-CB 3.46Å; T50-D53 PolarHBondContact O-N 3.2Å; T50-D53 VanDerWaalsContact O-N 3.1Å; T50-D53 PolarHBondContact OG1-N 3.24Å; T50-D53 VanDerWaalsContact OG1-N 3.13Å; T50-D53 PolarHBondContact OG1-OD2 3.4Å; D53-L55 VanDerWaalsContact C-N 3.27Å; D53-L55 PolarHBondContact O-N 2.97Å; D53-N56 PolarHBondContact O-N 2.97Å; D53-I57 HydrophobicContact CB-CD1 3.96Å; D53-I57 HydrophobicContact CB-CG1 4.48Å; D53-I57 WeakPolarHBondContact O-CA 3.42Å; D53-I57 WeakPolarHBondContact O-CB 3.46Å; D53-I57 VanDerWaalsContact O-CD1 3.31Å; D53-I57 WeakPolarHBondContact O-CD1 3.3Å; D53-I57 WeakPolarHBondContact O-CG1 3.17Å; D53-I57 PolarHBondContact O-N 3.18Å |
| 54 | R | 48.5 | Very low | 54.1 | Low | 153 Ų | 153 | 80.6 Ų | 80.6 | 58% | 0.577 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.2 | -36.4 | 175.7 | -64.6 | -176.9 | -153.7 | -141.7 | -3.2 | 113.3 | V49 T50 K51 L52 K58 | V49-R54 HydrophobicContact CG1-CB 4.39Å; V49-R54 HydrophobicContact CG1-CG 3.05Å; T50-R54 PolarHBondContact O-N 3.35Å; K51-R54 PolarHBondContact O-N 3.22Å; L52-R54 PolarHBondContact O-N 3.04Å; R54-K58 PolarHBondContact O-N 2.96Å |
| 55 | L | 46.4 | Very low | 52.5 | Low | 118 Ų | 118 | 85 Ų | 85 | 62% | 0.618 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -75.4 | -41.6 | 179.8 | -70.6 | 167.3 | 0 | 0 | 0 | 110.6 | L52 D53 K58 Q59 | L52-L55 PolarHBondContact O-N 3.39Å; D53-L55 VanDerWaalsContact C-N 3.27Å; D53-L55 PolarHBondContact O-N 2.97Å; L55-K58 PolarHBondContact O-N 2.86Å; L55-Q59 PolarHBondContact O-N 3.48Å |
| 56 | N | 43.3 | Very low | 51.2 | Low | 81 Ų | 81 | 91.4 Ų | 91.4 | 43% | 0.433 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.5 | -40.2 | 177.2 | -70.3 | -17.6 | 0 | 0 | 0 | 112.5 | L52 D53 K58 Q59 L60 | L52-N56 PolarHBondContact O-N 3.4Å; L52-N56 VanDerWaalsContact O-N 3.14Å; D53-N56 PolarHBondContact O-N 2.97Å; N56-K58 VanDerWaalsContact C-N 3.29Å; N56-K58 PolarHBondContact O-N 3.26Å; N56-Q59 PolarHBondContact O-N 3.04Å; N56-Q59 VanDerWaalsContact O-N 3.11Å; N56-L60 WeakPolarHBondContact O-CB 3.28Å; N56-L60 WeakPolarHBondContact O-CG 3.35Å; N56-L60 PolarHBondContact O-N 3.31Å |
| 57 | I | 46.8 | Very low | 50.8 | Low | 24 Ų | 24 | 89 Ų | 89 | 12% | 0.123 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 174.6 | -71.6 | 163.9 | 0 | 0 | 0 | 109.7 | V49 D53 Q59 L60 T61 T171 | V49-I57 HydrophobicContact CG2-CD1 4.39Å; D53-I57 HydrophobicContact CB-CD1 3.96Å; D53-I57 HydrophobicContact CB-CG1 4.48Å; D53-I57 WeakPolarHBondContact O-CA 3.42Å; D53-I57 WeakPolarHBondContact O-CB 3.46Å; D53-I57 VanDerWaalsContact O-CD1 3.31Å; D53-I57 WeakPolarHBondContact O-CD1 3.3Å; D53-I57 WeakPolarHBondContact O-CG1 3.17Å; D53-I57 PolarHBondContact O-N 3.18Å; I57-Q59 VanDerWaalsContact C-N 3.34Å; I57-Q59 PolarHBondContact O-N 2.93Å; I57-L60 PolarHBondContact O-N 3.32Å; I57-T61 HydrophobicContact CG2-CG2 3.88Å; I57-T61 WeakPolarHBondContact O-CB 3.24Å; I57-T61 WeakPolarHBondContact O-CG2 3.19Å; I57-T61 PolarHBondContact O-N 3.32Å; I57-T61 PolarHBondContact O-OG1 3.46Å; I57-T171 HydrophobicContact CG1-CG2 4.06Å |
| 58 | K | 42.5 | Very low | 50.8 | Low | 156 Ų | 156 | 88.4 Ų | 88.4 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.7 | -40.9 | 175.9 | -84 | -177.2 | 175 | -175.9 | 0 | 112.8 | R54 L55 N56 T61 | R54-K58 PolarHBondContact O-N 2.96Å; L55-K58 PolarHBondContact O-N 2.86Å; N56-K58 VanDerWaalsContact C-N 3.29Å; N56-K58 PolarHBondContact O-N 3.26Å; K58-T61 WeakPolarHBondContact CA-OG1 3.34Å; K58-T61 PolarHBondContact O-OG1 3.07Å |
| 59 | Q | 41.4 | Very low | 51.6 | Low | 151 Ų | 151 | 87.1 Ų | 87.1 | 71% | 0.706 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -72.2 | -40.3 | 177 | -65.5 | -175.7 | 27 | 0 | 0 | 112.1 | L55 N56 I57 T61 S62 | L55-Q59 PolarHBondContact O-N 3.48Å; N56-Q59 PolarHBondContact O-N 3.04Å; N56-Q59 VanDerWaalsContact O-N 3.11Å; I57-Q59 VanDerWaalsContact C-N 3.34Å; I57-Q59 PolarHBondContact O-N 2.93Å; Q59-T61 VanDerWaalsContact C-N 3.34Å; Q59-T61 PolarHBondContact O-N 3.49Å; Q59-S62 PolarHBondContact O-N 3.47Å |
| 60 | L | 42.1 | Very low | 52.9 | Low | 87 Ų | 87 | 89 Ų | 89 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 174.5 | -72.1 | 166.4 | 0 | 0 | 0 | 111.8 | N56 I57 S62 Q63 G64 | N56-L60 WeakPolarHBondContact O-CB 3.28Å; N56-L60 WeakPolarHBondContact O-CG 3.35Å; N56-L60 PolarHBondContact O-N 3.31Å; I57-L60 PolarHBondContact O-N 3.32Å; L60-S62 VanDerWaalsContact C-N 3.28Å; L60-S62 PolarHBondContact O-N 2.88Å; L60-Q63 PolarHBondContact O-N 2.97Å; L60-G64 VanDerWaalsContact O-CA 3.29Å; L60-G64 WeakPolarHBondContact O-CA 3.31Å; L60-G64 PolarHBondContact O-N 3.11Å |
| 61 | T | 46.6 | Very low | 54.3 | Low | 25 Ų | 25 | 85.6 Ų | 85.6 | 15% | 0.153 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.4 | -24.4 | -179.8 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | I57 K58 Q59 K65 W92 | I57-T61 HydrophobicContact CG2-CG2 3.88Å; I57-T61 WeakPolarHBondContact O-CB 3.24Å; I57-T61 WeakPolarHBondContact O-CG2 3.19Å; I57-T61 PolarHBondContact O-N 3.32Å; I57-T61 PolarHBondContact O-OG1 3.46Å; K58-T61 WeakPolarHBondContact CA-OG1 3.34Å; K58-T61 PolarHBondContact O-OG1 3.07Å; Q59-T61 VanDerWaalsContact C-N 3.34Å; Q59-T61 PolarHBondContact O-N 3.49Å; T61-K65 VanDerWaalsContact O-CB 3.25Å; T61-K65 WeakPolarHBondContact O-CB 3.42Å; T61-K65 VanDerWaalsContact O-CD 3.28Å; T61-K65 WeakPolarHBondContact O-CD 3.4Å; T61-K65 WeakPolarHBondContact O-CG 3.46Å; T61-K65 PolarHBondContact O-N 2.62Å; T61-W92 HydrophobicContact CG2-CZ2 4.45Å |
| 62 | S | 47.2 | Very low | 56.1 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -77.5 | -39.2 | 176.4 | -66.5 | 0 | 0 | 0 | 0 | 112.4 | Q59 L60 | Q59-S62 PolarHBondContact O-N 3.47Å; L60-S62 VanDerWaalsContact C-N 3.28Å; L60-S62 PolarHBondContact O-N 2.88Å |
| 63 | Q | 47.7 | Very low | 58 | Low | 103 Ų | 103 | 81.3 Ų | 81.3 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84 | -45.5 | 177.4 | -170.9 | 59.3 | 37.8 | 0 | 0 | 111.6 | L60 K65 K66 D67 | L60-Q63 PolarHBondContact O-N 2.97Å; Q63-K65 PolarHBondContact O-N 3.08Å; Q63-K66 WeakPolarHBondContact O-CA 3.44Å; Q63-K66 WeakPolarHBondContact O-CB 3.14Å; Q63-K66 PolarHBondContact O-N 3.45Å; Q63-D67 PolarHBondContact O-N 3.5Å |
| 64 | G | 52.2 | Low | 59.9 | Low | 15 Ų | 15 | 79.8 Ų | 79.8 | 16% | 0.155 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62 | -26.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L60 K66 D67 I68 | L60-G64 VanDerWaalsContact O-CA 3.29Å; L60-G64 WeakPolarHBondContact O-CA 3.31Å; L60-G64 PolarHBondContact O-N 3.11Å; G64-K66 VanDerWaalsContact C-N 3.35Å; G64-D67 PolarHBondContact O-N 2.94Å; G64-I68 VanDerWaalsContact O-CG1 3.27Å; G64-I68 WeakPolarHBondContact O-CG1 3.17Å; G64-I68 PolarHBondContact O-N 2.93Å |
| 65 | K | 53.5 | Low | 62.1 | Low | 118 Ų | 118 | 77.3 Ų | 77.3 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 169.9 | -83 | 176.9 | -174.3 | -178.7 | 0 | 112.9 | T61 Q63 D67 G69 | T61-K65 VanDerWaalsContact O-CB 3.25Å; T61-K65 WeakPolarHBondContact O-CB 3.42Å; T61-K65 VanDerWaalsContact O-CD 3.28Å; T61-K65 WeakPolarHBondContact O-CD 3.4Å; T61-K65 WeakPolarHBondContact O-CG 3.46Å; T61-K65 PolarHBondContact O-N 2.62Å; Q63-K65 PolarHBondContact O-N 3.08Å; K65-D67 VanDerWaalsContact C-N 3.32Å; K65-G69 PolarHBondContact O-N 3.3Å |
| 66 | K | 51.2 | Low | 64.5 | Low | 141 Ų | 141 | 73.4 Ų | 73.4 | 61% | 0.613 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.3 | -40.5 | 172.5 | -67 | -177.1 | 175.4 | -179.1 | 0 | 110 | Q63 G64 G69 | Q63-K66 WeakPolarHBondContact O-CA 3.44Å; Q63-K66 WeakPolarHBondContact O-CB 3.14Å; Q63-K66 PolarHBondContact O-N 3.45Å; G64-K66 VanDerWaalsContact C-N 3.35Å; K66-G69 PolarHBondContact O-N 3.46Å |
| 67 | D | 65.7 | Low | 67.1 | Low | 58 Ų | 58 | 75.1 Ų | 75.1 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.2 | -35.7 | -176.1 | -54.5 | -21.9 | 0 | 0 | 0 | 112.5 | Q63 G64 K65 G69 H70 L168 | Q63-D67 PolarHBondContact O-N 3.5Å; G64-D67 PolarHBondContact O-N 2.94Å; K65-D67 VanDerWaalsContact C-N 3.32Å; D67-G69 VanDerWaalsContact C-N 3.29Å; D67-G69 PolarHBondContact O-N 3Å; D67-H70 PolarHBondContact O-N 3.04Å; D67-L168 HydrophobicContact CB-CD1 4.28Å; D67-L168 HydrophobicContact CB-CD2 3.68Å |
| 68 | I | 75.4 | Confident | 69.5 | Low | 17 Ų | 17 | 74 Ų | 74 | 9% | 0.087 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 174.1 | -66.3 | 162.1 | 0 | 0 | 0 | 111.5 | G64 H70 L71 L72 V85 W92 F169 | G64-I68 VanDerWaalsContact O-CG1 3.27Å; G64-I68 WeakPolarHBondContact O-CG1 3.17Å; G64-I68 PolarHBondContact O-N 2.93Å; I68-H70 PolarHBondContact O-N 3.04Å; I68-L71 WeakPolarHBondContact O-CB 3.18Å; I68-L71 PolarHBondContact O-N 3.4Å; I68-L72 HydrophobicContact CG2-CD1 4.29Å; I68-L72 HydrophobicContact CG2-CG 4.41Å; I68-L72 PolarHBondContact O-N 2.94Å; I68-L72 VanDerWaalsContact O-N 3.14Å; I68-V85 HydrophobicContact CG2-CG2 4.08Å; I68-W92 HydrophobicContact CD1-CZ3 4.43Å; I68-F169 HydrophobicContact CD1-CE1 3.95Å; I68-F169 HydrophobicContact CG1-CE1 3.99Å; I68-F169 HydrophobicContact CG1-CZ 4.34Å |
| 69 | G | 77.9 | Confident | 72.1 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.6 | -34.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K65 K66 D67 | K65-G69 PolarHBondContact O-N 3.3Å; K66-G69 PolarHBondContact O-N 3.46Å; D67-G69 VanDerWaalsContact C-N 3.29Å; D67-G69 PolarHBondContact O-N 3Å |
| 70 | H | 79.3 | Confident | 74.7 | Confident | 85 Ų | 85 | 59.8 Ų | 59.8 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.7 | -37.8 | 175.5 | -63.8 | 175.5 | 0 | 0 | 0 | 111.9 | D67 I68 L72 K73 | D67-H70 PolarHBondContact O-N 3.04Å; I68-H70 PolarHBondContact O-N 3.04Å; H70-L72 VanDerWaalsContact C-N 3.3Å; H70-L72 PolarHBondContact O-N 3.27Å; H70-K73 PolarHBondContact O-N 2.77Å; H70-K73 VanDerWaalsContact O-N 3.14Å |
| 71 | L | 83.3 | Confident | 77.2 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -36.9 | 176.2 | -63.1 | -173.9 | 0 | 0 | 0 | 112.8 | I68 K73 L74 L82 I138 L168 F169 | I68-L71 WeakPolarHBondContact O-CB 3.18Å; I68-L71 PolarHBondContact O-N 3.4Å; L71-K73 PolarHBondContact O-N 3.19Å; L71-L74 HydrophobicContact CD2-CD1 3.93Å; L71-L74 WeakPolarHBondContact O-CB 3.38Å; L71-L74 PolarHBondContact O-N 3.3Å; L71-L82 HydrophobicContact CB-CD2 3.69Å; L71-L82 HydrophobicContact CD1-CD2 4.24Å; L71-I138 HydrophobicContact CD2-CD1 3.74Å; L71-L168 HydrophobicContact CD1-CD1 3.47Å; L71-L168 VanDerWaalsContact CD1-CD1 3.47Å; L71-L168 HydrophobicContact CD2-CD1 4.14Å; L71-L168 HydrophobicContact CG-CD1 3.79Å; L71-F169 HydrophobicContact CD1-CE2 4.04Å; L71-F169 HydrophobicContact CD1-CZ 4Å |
| 72 | L | 87.5 | Confident | 79.4 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.1 | 178.2 | -70.7 | 168.2 | 0 | 0 | 0 | 113 | I68 H70 L82 K83 | I68-L72 HydrophobicContact CG2-CD1 4.29Å; I68-L72 HydrophobicContact CG2-CG 4.41Å; I68-L72 PolarHBondContact O-N 2.94Å; I68-L72 VanDerWaalsContact O-N 3.14Å; H70-L72 VanDerWaalsContact C-N 3.3Å; H70-L72 PolarHBondContact O-N 3.27Å; L72-L82 HydrophobicContact CD2-CD2 3.87Å; L72-L82 HydrophobicContact CD2-CG 3.79Å; L72-L82 HydrophobicContact CG-CD2 4.16Å; L72-K83 WeakPolarHBondContact CD2-O 3.44Å |
| 73 | K | 88.6 | Confident | 81.6 | Confident | 146 Ų | 146 | 57.1 Ų | 57.1 | 64% | 0.635 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.5 | 177.1 | -65.4 | -176.1 | 178.1 | -169.3 | 0 | 113.3 | H70 L71 D75 | H70-K73 PolarHBondContact O-N 2.77Å; H70-K73 VanDerWaalsContact O-N 3.14Å; L71-K73 PolarHBondContact O-N 3.19Å; K73-D75 PolarHBondContact O-N 3.44Å |
| 74 | L | 91.2 | Very high | 83.7 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | trans | -68.5 | 129 | -178.4 | -60 | 174.2 | 0 | 0 | 0 | 110.1 | L71 Y132 L133 Y136 I138 Y164 | L71-L74 HydrophobicContact CD2-CD1 3.93Å; L71-L74 WeakPolarHBondContact O-CB 3.38Å; L71-L74 PolarHBondContact O-N 3.3Å; L74-Y132 HydrophobicContact CB-CE1 4.13Å; L74-Y132 HydrophobicContact CD2-CE1 3.73Å; L74-Y132 HydrophobicContact CG-CE1 4.46Å; L74-L133 HydrophobicContact CD1-CD2 4.17Å; L74-Y136 HydrophobicContact CD2-CD1 3.56Å; L74-Y136 HydrophobicContact CD2-CD2 4.24Å; L74-Y136 HydrophobicContact CD2-CE1 4.03Å; L74-Y136 HydrophobicContact CD2-CG 3.67Å; L74-I138 HydrophobicContact CD1-CD1 3.52Å; L74-I138 HydrophobicContact CD2-CD1 4.11Å; L74-I138 HydrophobicContact CG-CD1 4.35Å; L74-Y164 HydrophobicContact CD1-CD2 4.44Å; L74-Y164 HydrophobicContact CD1-CE2 3.77Å | ||
| 75 | D | 94.3 | Very high | 85.5 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | trans | -145.3 | 102.7 | 179 | -158.6 | 15.7 | 0 | 0 | 0 | 109.4 | K73 K81 Y132 | K73-D75 PolarHBondContact O-N 3.44Å; D75-K81 WeakPolarHBondContact OD1-CE 3.41Å; D75-K81 IonicContact OD1-NZ 2.71Å; D75-K81 PolarHBondContact OD1-NZ 3.37Å; D75-K81 IonicContact OD2-NZ 3Å; D75-K81 PolarHBondContact OD2-NZ 3.16Å; D75-Y132 PolarHBondContact N-OH 3.03Å; D75-Y132 VanDerWaalsContact N-OH 3.08Å | ||
| 76 | H | 96.9 | Very high | 87.2 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 17% | 0.167 | 25% | 0.248 | C | C | . | . | trans | -145.6 | 137.5 | -179.4 | -171.8 | -94.9 | 0 | 0 | 0 | 109.6 | N78 L79 Y132 | H76-N78 PolarHBondContact CE1-OD1 3.13Å; H76-N78 PolarHBondContact ND1-N 3.48Å; H76-N78 VanDerWaalsContact ND1-N 3.15Å; H76-N78 PolarHBondContact O-N 2.82Å; H76-N78 VanDerWaalsContact O-N 3.12Å; H76-L79 HydrophobicContact CB-CB 4.36Å; H76-L79 HydrophobicContact CB-CD1 3.99Å; H76-L79 HydrophobicContact CB-CG 4.01Å; H76-L79 PolarHBondContact O-N 2.84Å; H76-Y132 HydrophobicContact CB-CD1 3.78Å; H76-Y132 HydrophobicContact CB-CD2 4.25Å; H76-Y132 HydrophobicContact CB-CE1 3.92Å; H76-Y132 HydrophobicContact CB-CE2 4.39Å; H76-Y132 HydrophobicContact CB-CG 3.94Å; H76-Y132 AromaticContact CD2-CD2 3.75Å; H76-Y132 AromaticContact CD2-CG 3.79Å; H76-Y132 AromaticContact CG-CG 3.92Å | ||
| 77 | Q | 97.7 | Very high | 88.8 | Confident | 117 Ų | 117 | 45.5 Ų | 45.5 | 55% | 0.547 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.3 | -175 | 71.2 | -178.2 | -3 | 0 | 0 | 112.6 | I158 K160 | Q77-I158 HydrophobicContact CB-CD1 4.07Å; Q77-I158 WeakPolarHBondContact O-CD1 3.45Å; Q77-K160 WeakPolarHBondContact O-CD 3.49Å; Q77-K160 WeakPolarHBondContact O-CE 3.45Å; Q77-K160 PolarHBondContact O-NZ 2.97Å; Q77-K160 VanDerWaalsContact O-NZ 3.08Å |
| 78 | N | 98.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 9.4 | -177.4 | -56.5 | 115.4 | 0 | 0 | 0 | 115 | H76 Q125 V159 I161 | H76-N78 PolarHBondContact CE1-OD1 3.13Å; H76-N78 PolarHBondContact ND1-N 3.48Å; H76-N78 VanDerWaalsContact ND1-N 3.15Å; H76-N78 PolarHBondContact O-N 2.82Å; H76-N78 VanDerWaalsContact O-N 3.12Å; N78-Q125 VanDerWaalsContact CB-O 3.31Å; N78-Q125 WeakPolarHBondContact CB-O 3.39Å; N78-Q125 WeakPolarHBondContact ND2-CB 3.44Å; N78-Q125 PolarHBondContact ND2-OE1 3.19Å; N78-V159 VanDerWaalsContact CA-O 3.22Å; N78-V159 WeakPolarHBondContact CA-O 3.46Å; N78-V159 PolarHBondContact ND2-O 3.2Å; N78-V159 VanDerWaalsContact ND2-O 3.09Å; N78-I161 WeakPolarHBondContact O-CB 3.2Å; N78-I161 WeakPolarHBondContact O-CG1 3.14Å; N78-I161 PolarHBondContact O-N 3.31Å |
| 79 | L | 97.1 | Very high | 90 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -116 | 146.8 | 173.4 | -59.4 | -178 | 0 | 0 | 0 | 109.7 | H76 K81 Y132 L133 K160 I161 Y164 | H76-L79 HydrophobicContact CB-CB 4.36Å; H76-L79 HydrophobicContact CB-CD1 3.99Å; H76-L79 HydrophobicContact CB-CG 4.01Å; H76-L79 PolarHBondContact O-N 2.84Å; L79-K81 PolarHBondContact O-N 3.18Å; L79-Y132 HydrophobicContact CD1-CD1 3.62Å; L79-Y132 HydrophobicContact CD1-CE1 4.07Å; L79-L133 HydrophobicContact CD1-CD2 3.59Å; L79-L133 HydrophobicContact CD1-CG 3.89Å; L79-L133 HydrophobicContact CD2-CD1 4.14Å; L79-L133 HydrophobicContact CD2-CG 4.16Å; L79-K160 WeakPolarHBondContact O-CD 3.1Å; L79-K160 PolarHBondContact O-NZ 3.42Å; L79-K160 VanDerWaalsContact O-NZ 3.16Å; L79-I161 HydrophobicContact CD2-CB 3.85Å; L79-I161 HydrophobicContact CD2-CD1 4.16Å; L79-I161 HydrophobicContact CD2-CG1 4.44Å; L79-I161 HydrophobicContact CD2-CG2 4.42Å; L79-Y164 HydrophobicContact CB-CE1 4.02Å; L79-Y164 HydrophobicContact CD2-CD1 4.43Å |
| 80 | V | 95.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | trans | -74.1 | 114.1 | 167.3 | 170.7 | 0 | 0 | 0 | 0 | 108.5 | L82 V96 E97 A99 K160 I161 Y164 | V80-L82 PolarHBondContact O-N 3.06Å; V80-V96 HydrophobicContact CG1-CB 3.77Å; V80-V96 HydrophobicContact CG1-CG2 3.8Å; V80-E97 HydrophobicContact CG1-CB 4.08Å; V80-E97 WeakPolarHBondContact CG1-O 3.01Å; V80-A99 HydrophobicContact CG2-CB 4.42Å; V80-K160 HydrophobicContact CG2-CB 3.83Å; V80-K160 HydrophobicContact CG2-CD 4.41Å; V80-I161 PolarHBondContact N-O 3.04Å; V80-Y164 VanDerWaalsContact O-CE1 3.29Å; V80-Y164 WeakPolarHBondContact O-CE1 3.47Å; V80-Y164 PolarHBondContact O-OH 3.08Å | ||
| 81 | K | 94.4 | Very high | 90.3 | Very high | 78 Ų | 78 | 51.4 Ų | 51.4 | 34% | 0.339 | 26% | 0.258 | S | S | . | . | trans | -67.7 | 130.2 | -174.6 | -170.2 | 170.5 | -168.4 | 159.9 | 0 | 112.5 | D75 L79 K83 V96 E97 | D75-K81 WeakPolarHBondContact OD1-CE 3.41Å; D75-K81 IonicContact OD1-NZ 2.71Å; D75-K81 PolarHBondContact OD1-NZ 3.37Å; D75-K81 IonicContact OD2-NZ 3Å; D75-K81 PolarHBondContact OD2-NZ 3.16Å; L79-K81 PolarHBondContact O-N 3.18Å; K81-K83 PolarHBondContact O-N 2.8Å; K81-V96 CarbonylContact O-C 3.46Å; K81-V96 VanDerWaalsContact O-CA 3.28Å; K81-V96 WeakPolarHBondContact O-CA 3.22Å; K81-E97 HydrophobicContact CB-CB 4.18Å; K81-E97 PolarHBondContact N-OE2 3.35Å; K81-E97 PolarHBondContact O-N 3.13Å | ||
| 82 | L | 92.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119.4 | 166.7 | 179.4 | 63.9 | 0 | 0 | 0 | 109.4 | L71 L72 V80 V85 I94 V96 | L71-L82 HydrophobicContact CB-CD2 3.69Å; L71-L82 HydrophobicContact CD1-CD2 4.24Å; L72-L82 HydrophobicContact CD2-CD2 3.87Å; L72-L82 HydrophobicContact CD2-CG 3.79Å; L72-L82 HydrophobicContact CG-CD2 4.16Å; V80-L82 PolarHBondContact O-N 3.06Å; L82-V85 HydrophobicContact CD1-CG2 3.92Å; L82-V85 HydrophobicContact CD2-CG2 4.13Å; L82-V85 HydrophobicContact CG-CG2 4.46Å; L82-I94 HydrophobicContact CD1-CG2 3.41Å; L82-I94 VanDerWaalsContact CD1-CG2 3.41Å; L82-V96 HydrophobicContact CD1-CG1 3.89Å |
| 83 | K | 93.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -54.8 | 179.1 | -178.9 | 175 | 177.1 | -171.6 | 0 | 111.6 | Y8 E33 Y40 L72 K81 V95 | Y8-K83 WeakPolarHBondContact OH-CD 3.33Å; Y8-K83 WeakPolarHBondContact OH-CE 3.49Å; Y8-K83 PolarHBondContact OH-NZ 2.89Å; E33-K83 IonicContact OE1-NZ 3.2Å; E33-K83 PolarHBondContact OE1-NZ 2.97Å; E33-K83 IonicContact OE2-NZ 2.78Å; E33-K83 PolarHBondContact OE2-NZ 3.33Å; Y40-K83 HydrophobicContact CD1-CD 3.93Å; Y40-K83 HydrophobicContact CE1-CD 3.42Å; Y40-K83 VanDerWaalsContact CE1-CD 3.42Å; Y40-K83 HydrophobicContact CE2-CD 4.12Å; Y40-K83 HydrophobicContact CG-CD 4.49Å; Y40-K83 PolarHBondContact OH-NZ 3.3Å; L72-K83 WeakPolarHBondContact CD2-O 3.44Å; K81-K83 PolarHBondContact O-N 2.8Å; K83-V95 HydrophobicContact CB-CG1 4.39Å; K83-V95 WeakPolarHBondContact CB-O 3.32Å; K83-V95 HydrophobicContact CD-CG1 4.45Å; K83-V95 PolarHBondContact N-O 2.73Å |
| 84 | E | 92.5 | Very high | 90.5 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 161 | -176.2 | 58.8 | -168.6 | 99.9 | 0 | 0 | 111.3 | Y8 F86 V95 | Y8-E84 HydrophobicContact CE2-CG 4.38Å; Y8-E84 VanDerWaalsContact OH-CD 3.26Å; Y8-E84 PolarHBondContact OH-OE1 3.37Å; E84-F86 HydrophobicContact CG-CE2 3.81Å; E84-F86 HydrophobicContact CG-CZ 4.36Å; E84-F86 WeakPolarHBondContact OE2-CE2 3.43Å; E84-F86 WeakPolarHBondContact OE2-CZ 3.46Å; E84-V95 HydrophobicContact CG-CB 3.89Å; E84-V95 HydrophobicContact CG-CG1 4.49Å; E84-V95 HydrophobicContact CG-CG2 4.15Å; E84-V95 PolarHBondContact N-O 3.23Å; E84-V95 PolarHBondContact O-N 3.43Å |
| 85 | V | 89.7 | Confident | 90.6 | Very high | 38 Ų | 38 | 43.5 Ų | 43.5 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.8 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | I68 L82 W92 H93 I94 F169 | I68-V85 HydrophobicContact CG2-CG2 4.08Å; L82-V85 HydrophobicContact CD1-CG2 3.92Å; L82-V85 HydrophobicContact CD2-CG2 4.13Å; L82-V85 HydrophobicContact CG-CG2 4.46Å; V85-W92 HydrophobicContact CG1-CE3 3.69Å; V85-W92 HydrophobicContact CG1-CZ3 4.12Å; V85-H93 WeakPolarHBondContact CA-O 3.35Å; V85-I94 HydrophobicContact CG1-CG1 4.5Å; V85-I94 HydrophobicContact CG2-CG2 4.41Å; V85-F169 HydrophobicContact CG1-CE1 4.09Å; V85-F169 HydrophobicContact CG2-CE1 3.94Å; V85-F169 HydrophobicContact CG2-CZ 4.2Å |
| 86 | F | 90 | Very high | 90.5 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141.6 | 169.8 | -56.8 | -96.5 | 0 | 0 | 0 | 110.5 | F4 Y7 Y8 E84 W92 H93 V95 | F4-F86 HydrophobicContact CB-CB 4.24Å; F4-F86 HydrophobicContact CB-CD1 4.38Å; F4-F86 HydrophobicContact CB-CD2 4Å; F4-F86 HydrophobicContact CB-CE2 4.42Å; F4-F86 HydrophobicContact CB-CG 3.96Å; F4-F86 AromaticContact CD2-CD2 3.92Å; F4-F86 HydrophobicContact CD2-CD2 3.92Å; F4-F86 AromaticContact CD2-CE2 3.97Å; F4-F86 HydrophobicContact CD2-CE2 3.97Å; F4-F86 HydrophobicContact CG-CD2 4.48Å; Y7-F86 AromaticContact CD2-CE1 3.81Å; Y7-F86 HydrophobicContact CD2-CE1 3.81Å; Y7-F86 AromaticContact CD2-CZ 3.97Å; Y7-F86 HydrophobicContact CD2-CZ 3.97Å; Y7-F86 HydrophobicContact CE2-CE1 4.31Å; Y7-F86 HydrophobicContact CG-CZ 4.23Å; Y8-F86 AromaticContact CD2-CE2 3.96Å; Y8-F86 HydrophobicContact CD2-CE2 3.96Å; Y8-F86 HydrophobicContact CD2-CZ 4.1Å; Y8-F86 AromaticContact CE2-CE2 3.73Å; Y8-F86 HydrophobicContact CE2-CE2 3.73Å; Y8-F86 AromaticContact CE2-CZ 3.87Å; Y8-F86 HydrophobicContact CE2-CZ 3.87Å; E84-F86 HydrophobicContact CG-CE2 3.81Å; E84-F86 HydrophobicContact CG-CZ 4.36Å; E84-F86 WeakPolarHBondContact OE2-CE2 3.43Å; E84-F86 WeakPolarHBondContact OE2-CZ 3.46Å; F86-W92 CarbonylContact O-C 3.59Å; F86-W92 WeakPolarHBondContact O-CA 3.35Å; F86-H93 HydrophobicContact CB-CB 4.15Å; F86-H93 PolarHBondContact N-O 3.04Å; F86-H93 PolarHBondContact O-N 3.27Å; F86-V95 HydrophobicContact CD2-CG2 4.16Å; F86-V95 HydrophobicContact CE2-CG2 3.95Å |
| 87 | E | 84.8 | Confident | 90.4 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.4 | 179.5 | -170.2 | -177 | -176 | 0 | 0 | 109.6 | M1 K47 W92 | M1-E87 HydrophobicContact CE-CB 4.39Å; K47-E87 VanDerWaalsContact NZ-CD 3.34Å; K47-E87 IonicContact NZ-OE1 3.74Å; K47-E87 PolarHBondContact NZ-OE1 3.13Å; E87-W92 HydrophobicContact CB-CE3 3.8Å; E87-W92 HydrophobicContact CB-CH2 4.21Å; E87-W92 HydrophobicContact CB-CZ3 3.55Å; E87-W92 HydrophobicContact CG-CD2 4.24Å; E87-W92 HydrophobicContact CG-CE3 3.78Å; E87-W92 HydrophobicContact CG-CH2 3.68Å; E87-W92 HydrophobicContact CG-CZ2 4.13Å; E87-W92 HydrophobicContact CG-CZ3 3.49Å; E87-W92 VanDerWaalsContact CG-CZ3 3.49Å; E87-W92 WeakPolarHBondContact OE1-CH2 3.32Å |
| 88 | T | 84.1 | Confident | 90.3 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 31% | 0.307 | 19% | 0.19 | S | C | . | . | trans | -108.6 | 175.8 | 165.7 | 78.6 | 0 | 0 | 0 | 0 | 109.9 | K47 F90 S91 | K47-T88 PolarHBondContact NZ-O 3.19Å; T88-F90 PolarHBondContact O-N 2.99Å; T88-F90 PolarHBondContact OG1-N 3.34Å; T88-F90 VanDerWaalsContact OG1-N 3.14Å; T88-S91 PolarHBondContact N-O 3.32Å; T88-S91 PolarHBondContact OG1-N 3.32Å; T88-S91 PolarHBondContact OG1-O 3.45Å; T88-S91 PolarHBondContact OG1-OG 2.64Å; T88-S91 VanDerWaalsContact OG1-OG 3.05Å | ||
| 89 | S | 80.8 | Confident | 90.1 | Very high | 96 Ų | 96 | 38.1 Ų | 38.1 | 67% | 0.671 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -63.2 | -20.3 | 172.3 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 90 | F | 80.9 | Confident | 89.9 | Confident | 153 Ų | 153 | 41.7 Ų | 41.7 | 67% | 0.671 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -119.8 | -16.5 | -171.1 | -56 | -73.3 | 0 | 0 | 0 | 114 | K47 T88 | K47-F90 PolarHBondContact N-O 2.87Å; T88-F90 PolarHBondContact O-N 2.99Å; T88-F90 PolarHBondContact OG1-N 3.34Å; T88-F90 VanDerWaalsContact OG1-N 3.14Å |
| 91 | S | 82.3 | Confident | 89.8 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 156.1 | -174 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | I45 T88 H93 | I45-S91 CarbonylContact O-C 3.11Å; I45-S91 WeakPolarHBondContact O-CA 3.42Å; I45-S91 WeakPolarHBondContact O-CB 3.29Å; T88-S91 PolarHBondContact N-O 3.32Å; T88-S91 PolarHBondContact OG1-N 3.32Å; T88-S91 PolarHBondContact OG1-O 3.45Å; T88-S91 PolarHBondContact OG1-OG 2.64Å; T88-S91 VanDerWaalsContact OG1-OG 3.05Å; S91-H93 PolarHBondContact OG-CE1 3.48Å |
| 92 | W | 85.1 | Confident | 89.6 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 11% | 0.114 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.4 | 161.6 | -62.6 | 102.3 | 0 | 0 | 0 | 109.1 | V44 I45 K47 T61 I68 V85 F86 E87 I94 | V44-W92 CarbonylContact C-O 3.56Å; V44-W92 VanDerWaalsContact CA-O 3.29Å; V44-W92 WeakPolarHBondContact CA-O 3.27Å; I45-W92 HydrophobicContact CB-CB 4.46Å; I45-W92 PolarHBondContact N-O 3.44Å; I45-W92 PolarHBondContact O-N 3.01Å; K47-W92 VanDerWaalsContact CE-CE2 3.42Å; K47-W92 VanDerWaalsContact CE-NE1 3.26Å; T61-W92 HydrophobicContact CG2-CZ2 4.45Å; I68-W92 HydrophobicContact CD1-CZ3 4.43Å; V85-W92 HydrophobicContact CG1-CE3 3.69Å; V85-W92 HydrophobicContact CG1-CZ3 4.12Å; F86-W92 CarbonylContact O-C 3.59Å; F86-W92 WeakPolarHBondContact O-CA 3.35Å; E87-W92 HydrophobicContact CB-CE3 3.8Å; E87-W92 HydrophobicContact CB-CH2 4.21Å; E87-W92 HydrophobicContact CB-CZ3 3.55Å; E87-W92 HydrophobicContact CG-CD2 4.24Å; E87-W92 HydrophobicContact CG-CE3 3.78Å; E87-W92 HydrophobicContact CG-CH2 3.68Å; E87-W92 HydrophobicContact CG-CZ2 4.13Å; E87-W92 HydrophobicContact CG-CZ3 3.49Å; E87-W92 VanDerWaalsContact CG-CZ3 3.49Å; E87-W92 WeakPolarHBondContact OE1-CH2 3.32Å; W92-I94 HydrophobicContact CB-CG1 4.4Å |
| 93 | H | 89.5 | Confident | 89.7 | Confident | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 108.8 | 168 | -55.2 | 68 | 0 | 0 | 0 | 107.7 | F4 V42 V85 F86 S91 | F4-H93 HydrophobicContact CB-CB 4.36Å; F4-H93 HydrophobicContact CD2-CB 4.19Å; F4-H93 HydrophobicContact CG-CB 4.36Å; V42-H93 HydrophobicContact CG2-CB 3.97Å; V85-H93 WeakPolarHBondContact CA-O 3.35Å; F86-H93 HydrophobicContact CB-CB 4.15Å; F86-H93 PolarHBondContact N-O 3.04Å; F86-H93 PolarHBondContact O-N 3.27Å; S91-H93 PolarHBondContact OG-CE1 3.48Å |
| 94 | I | 89.1 | Confident | 89.9 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 108.3 | -175 | -53.8 | 168.8 | 0 | 0 | 0 | 106.5 | V42 K43 I45 L82 V85 W92 V96 F169 | V42-I94 WeakPolarHBondContact CA-O 3.27Å; K43-I94 HydrophobicContact CB-CB 4.35Å; K43-I94 PolarHBondContact N-O 3.46Å; K43-I94 PolarHBondContact O-N 3.25Å; I45-I94 HydrophobicContact CD1-CD1 3.63Å; I45-I94 HydrophobicContact CG1-CD1 4.3Å; L82-I94 HydrophobicContact CD1-CG2 3.41Å; L82-I94 VanDerWaalsContact CD1-CG2 3.41Å; V85-I94 HydrophobicContact CG1-CG1 4.5Å; V85-I94 HydrophobicContact CG2-CG2 4.41Å; W92-I94 HydrophobicContact CB-CG1 4.4Å; I94-V96 HydrophobicContact CG2-CG1 3.91Å; I94-F169 HydrophobicContact CD1-CB 3.83Å; I94-F169 HydrophobicContact CD1-CD1 3.66Å; I94-F169 HydrophobicContact CD1-CD2 3.56Å; I94-F169 HydrophobicContact CD1-CE1 4.07Å; I94-F169 HydrophobicContact CD1-CE2 3.97Å; I94-F169 HydrophobicContact CD1-CG 3.38Å; I94-F169 HydrophobicContact CD1-CZ 4.2Å; I94-F169 HydrophobicContact CG1-CD1 4.05Å; I94-F169 HydrophobicContact CG1-CE1 4.15Å; I94-F169 HydrophobicContact CG1-CG 4.28Å; I94-F169 HydrophobicContact CG1-CZ 4.46Å; I94-F169 HydrophobicContact CG2-CZ 4.46Å |
| 95 | V | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.4 | -179.3 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | F4 Y8 Y40 A41 V42 K83 E84 F86 | F4-V95 HydrophobicContact CD2-CG2 4.05Å; F4-V95 HydrophobicContact CE2-CG2 3.89Å; Y8-V95 HydrophobicContact CD2-CG2 4.49Å; Y8-V95 HydrophobicContact CE1-CG1 3.92Å; Y8-V95 HydrophobicContact CE2-CG2 4.24Å; Y40-V95 HydrophobicContact CD1-CG1 4.37Å; Y40-V95 HydrophobicContact CG-CG1 4.04Å; A41-V95 WeakPolarHBondContact O-CA 3.39Å; V42-V95 HydrophobicContact CG2-CG2 4.27Å; K83-V95 HydrophobicContact CB-CG1 4.39Å; K83-V95 WeakPolarHBondContact CB-O 3.32Å; K83-V95 HydrophobicContact CD-CG1 4.45Å; K83-V95 PolarHBondContact N-O 2.73Å; E84-V95 HydrophobicContact CG-CB 3.89Å; E84-V95 HydrophobicContact CG-CG1 4.49Å; E84-V95 HydrophobicContact CG-CG2 4.15Å; E84-V95 PolarHBondContact N-O 3.23Å; E84-V95 PolarHBondContact O-N 3.43Å; F86-V95 HydrophobicContact CD2-CG2 4.16Å; F86-V95 HydrophobicContact CE2-CG2 3.95Å |
| 96 | V | 93.9 | Very high | 90.2 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 162.2 | -176 | -56.1 | 0 | 0 | 0 | 0 | 111 | Y40 A41 V80 K81 L82 I94 F98 | Y40-V96 WeakPolarHBondContact CB-O 3.27Å; Y40-V96 WeakPolarHBondContact CD1-O 3.43Å; A41-V96 HydrophobicContact CB-CG2 3.88Å; A41-V96 PolarHBondContact N-O 2.77Å; A41-V96 PolarHBondContact O-N 3.42Å; V80-V96 HydrophobicContact CG1-CB 3.77Å; V80-V96 HydrophobicContact CG1-CG2 3.8Å; K81-V96 CarbonylContact O-C 3.46Å; K81-V96 VanDerWaalsContact O-CA 3.28Å; K81-V96 WeakPolarHBondContact O-CA 3.22Å; L82-V96 HydrophobicContact CD1-CG1 3.89Å; I94-V96 HydrophobicContact CG2-CG1 3.91Å; V96-F98 PolarHBondContact O-N 2.99Å |
| 97 | E | 94.9 | Very high | 90.4 | Very high | 58 Ų | 58 | 39.5 Ų | 39.5 | 27% | 0.271 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.4 | 134.8 | 168.7 | 178.5 | -172.8 | 177.5 | 0 | 0 | 111.1 | V80 K81 A99 K160 | V80-E97 HydrophobicContact CG1-CB 4.08Å; V80-E97 WeakPolarHBondContact CG1-O 3.01Å; K81-E97 HydrophobicContact CB-CB 4.18Å; K81-E97 PolarHBondContact N-OE2 3.35Å; K81-E97 PolarHBondContact O-N 3.13Å; E97-A99 PolarHBondContact O-N 3.28Å; E97-K160 WeakPolarHBondContact OE1-CE 2.94Å; E97-K160 IonicContact OE1-NZ 2.8Å; E97-K160 PolarHBondContact OE1-NZ 3.22Å; E97-K160 IonicContact OE2-NZ 2.92Å; E97-K160 PolarHBondContact OE2-NZ 3Å |
| 98 | F | 94.6 | Very high | 90.9 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 21% | 0.211 | 20% | 0.198 | C | C | . | . | trans | -86.5 | 105.3 | 172.5 | 177.4 | -123.2 | 0 | 0 | 0 | 110.2 | L14 L30 L39 A41 V96 N100 | L14-F98 HydrophobicContact CD1-CD2 4.04Å; L14-F98 HydrophobicContact CD1-CE2 3.73Å; L14-F98 HydrophobicContact CD2-CE2 4.1Å; L30-F98 HydrophobicContact CD1-CB 4.49Å; L30-F98 HydrophobicContact CD1-CD1 3.79Å; L30-F98 HydrophobicContact CD1-CD2 3.78Å; L30-F98 HydrophobicContact CD1-CE1 3.86Å; L30-F98 HydrophobicContact CD1-CE2 3.87Å; L30-F98 HydrophobicContact CD1-CG 3.75Å; L30-F98 HydrophobicContact CD1-CZ 3.91Å; L39-F98 HydrophobicContact CB-CD1 4.39Å; A41-F98 HydrophobicContact CB-CD2 4.38Å; V96-F98 PolarHBondContact O-N 2.99Å; F98-N100 HydrophobicContact CD1-CB 4.06Å; F98-N100 HydrophobicContact CE1-CB 3.65Å; F98-N100 WeakPolarHBondContact CE1-OD1 3.39Å; F98-N100 HydrophobicContact CZ-CB 4.24Å; F98-N100 PolarHBondContact O-N 3.24Å | ||
| 99 | A | 93.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | trans | -76.1 | 104.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V80 E97 G101 L149 K160 | V80-A99 HydrophobicContact CG2-CB 4.42Å; E97-A99 PolarHBondContact O-N 3.28Å; A99-G101 PolarHBondContact O-N 3.29Å; A99-L149 HydrophobicContact CB-CB 4.17Å; A99-L149 HydrophobicContact CB-CD1 4.17Å; A99-K160 HydrophobicContact CB-CB 4.11Å; A99-K160 HydrophobicContact CB-CG 4.27Å | ||
| 100 | N | 92.7 | Very high | 92 | Very high | 79 Ų | 79 | 37.5 Ų | 37.5 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | trans | -82.9 | 9.5 | -173.1 | -170.3 | 30.5 | 0 | 0 | 0 | 113.5 | F98 S151 R153 | F98-N100 HydrophobicContact CD1-CB 4.06Å; F98-N100 HydrophobicContact CE1-CB 3.65Å; F98-N100 WeakPolarHBondContact CE1-OD1 3.39Å; F98-N100 HydrophobicContact CZ-CB 4.24Å; F98-N100 PolarHBondContact O-N 3.24Å; N100-S151 PolarHBondContact N-O 3.34Å; N100-R153 WeakPolarHBondContact O-CG 3.32Å | ||
| 101 | G | 93 | Very high | 92.4 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -88.3 | -179.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A99 L150 T152 | A99-G101 PolarHBondContact O-N 3.29Å; G101-L150 WeakPolarHBondContact CA-O 3.47Å; G101-L150 PolarHBondContact N-O 2.98Å; G101-T152 VanDerWaalsContact CA-O 3.26Å; G101-T152 WeakPolarHBondContact CA-O 3.47Å |
| 102 | E | 91.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 37.2 Ų | 37.2 | 23% | 0.234 | 19% | 0.19 | C | C | . | . | trans | -89 | 176.2 | 169.3 | 65.4 | -163.9 | 119.2 | 0 | 0 | 110.9 | Q106 R107 K110 L150 | E102-Q106 HydrophobicContact CG-CB 4.43Å; E102-R107 HydrophobicContact CG-CB 4.09Å; E102-R107 IonicContact OE1-CZ 2.65Å; E102-R107 IonicContact OE1-NE 2.74Å; E102-R107 PolarHBondContact OE1-NE 2.84Å; E102-R107 IonicContact OE1-NH2 3.08Å; E102-R107 PolarHBondContact OE1-NH2 3.2Å; E102-K110 IonicContact OE1-NZ 3.52Å; E102-K110 IonicContact OE2-NZ 3.21Å; E102-K110 PolarHBondContact OE2-NZ 2.87Å; E102-L150 PolarHBondContact O-N 3.35Å | ||
| 103 | E | 93.9 | Very high | 93 | Very high | 54 Ų | 54 | 39 Ų | 39 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | B | Isolated β-bridge | trans | -60 | 136 | 167.9 | -64.3 | 175.7 | -168.9 | 0 | 0 | 110.2 | F105 Q106 R107 L149 R301 | E103-F105 PolarHBondContact O-N 3.35Å; E103-Q106 HydrophobicContact CB-CB 4.44Å; E103-Q106 HydrophobicContact CB-CG 4.06Å; E103-Q106 WeakPolarHBondContact O-CB 3.21Å; E103-Q106 PolarHBondContact O-N 3.01Å; E103-R107 PolarHBondContact O-N 3.19Å; E103-R107 VanDerWaalsContact O-N 3.1Å; E103-L149 HydrophobicContact CG-CD2 3.95Å; E103-R301 IonicContact OE2-CZ 3.62Å; E103-R301 IonicContact OE2-NH1 2.79Å; E103-R301 PolarHBondContact OE2-NH1 2.81Å; E103-R301 IonicContact OE2-NH2 3.64Å; E103-R301 PolarHBondContact OE2-NH2 2.92Å |
| 104 | L | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.3 | -43.2 | 179.6 | 171.6 | 63.5 | 0 | 0 | 0 | 111.3 | Q106 R107 L108 Y122 M126 I148 L150 V159 M212 | L104-Q106 PolarHBondContact O-N 3.4Å; L104-R107 WeakPolarHBondContact O-CA 3.5Å; L104-R107 WeakPolarHBondContact O-CB 3.45Å; L104-R107 PolarHBondContact O-N 2.98Å; L104-L108 HydrophobicContact CD1-CD1 4.41Å; L104-L108 HydrophobicContact CD1-CD2 4.14Å; L104-L108 HydrophobicContact CD1-CG 4.03Å; L104-L108 HydrophobicContact CG-CD1 4.1Å; L104-L108 HydrophobicContact CG-CG 4.18Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 2.81Å; L104-Y122 HydrophobicContact CD1-CD1 3.55Å; L104-Y122 HydrophobicContact CD1-CD2 3.89Å; L104-Y122 HydrophobicContact CD1-CE1 3.97Å; L104-Y122 HydrophobicContact CD1-CE2 4.27Å; L104-Y122 HydrophobicContact CD1-CG 3.51Å; L104-Y122 HydrophobicContact CD2-CG 4.39Å; L104-M126 HydrophobicContact CD2-SD 3.92Å; L104-I148 HydrophobicContact CB-CB 4.39Å; L104-I148 HydrophobicContact CB-CG2 3.77Å; L104-I148 HydrophobicContact CD2-CG2 3.63Å; L104-I148 HydrophobicContact CG-CG2 4.35Å; L104-I148 PolarHBondContact N-O 3.32Å; L104-L150 HydrophobicContact CD1-CD2 4.09Å; L104-V159 HydrophobicContact CD2-CG2 4.24Å; L104-M212 HydrophobicContact CD2-CE 4.26Å |
| 105 | F | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -32.8 | -179.7 | -78.5 | -106.4 | 0 | 0 | 0 | 112.5 | E103 P145 L208 I211 M212 L294 F297 N298 | E103-F105 PolarHBondContact O-N 3.35Å; F105-P145 HydrophobicContact CB-CB 4.25Å; F105-P145 HydrophobicContact CD1-CB 4.18Å; F105-P145 HydrophobicContact CD1-CG 4.15Å; F105-P145 HydrophobicContact CD2-CB 3.59Å; F105-P145 HydrophobicContact CD2-CG 4.13Å; F105-P145 HydrophobicContact CE1-CG 4.11Å; F105-P145 HydrophobicContact CE2-CB 3.98Å; F105-P145 HydrophobicContact CE2-CG 4.09Å; F105-P145 HydrophobicContact CG-CB 3.73Å; F105-P145 HydrophobicContact CG-CG 4.19Å; F105-P145 HydrophobicContact CZ-CB 4.44Å; F105-P145 HydrophobicContact CZ-CG 4.09Å; F105-L208 HydrophobicContact CE1-CD2 4.44Å; F105-L208 HydrophobicContact CE2-CD2 3.72Å; F105-L208 HydrophobicContact CZ-CB 4.22Å; F105-L208 HydrophobicContact CZ-CD2 3.45Å; F105-L208 VanDerWaalsContact CZ-CD2 3.45Å; F105-L208 HydrophobicContact CZ-CG 4.44Å; F105-I211 HydrophobicContact CD1-CG2 4.28Å; F105-I211 HydrophobicContact CE1-CB 4.14Å; F105-I211 HydrophobicContact CE1-CG2 3.75Å; F105-M212 HydrophobicContact CE1-CG 4.1Å; F105-M212 HydrophobicContact CZ-CG 3.93Å; F105-M212 HydrophobicContact CZ-SD 4.47Å; F105-L294 HydrophobicContact CD1-CD1 3.93Å; F105-L294 HydrophobicContact CE1-CD1 4.47Å; F105-F297 HydrophobicContact CD1-CD1 4.45Å; F105-F297 HydrophobicContact CD1-CE1 4Å; F105-F297 HydrophobicContact CE1-CE1 4.39Å; F105-N298 PolarHBondContact O-ND2 2.88Å |
| 106 | Q | 94.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 38.2 Ų | 38.2 | 28% | 0.276 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.9 | -41.4 | 172.9 | -64.4 | -67.8 | -5.8 | 0 | 0 | 111.1 | E102 E103 L104 L108 T109 | E102-Q106 HydrophobicContact CG-CB 4.43Å; E103-Q106 HydrophobicContact CB-CB 4.44Å; E103-Q106 HydrophobicContact CB-CG 4.06Å; E103-Q106 WeakPolarHBondContact O-CB 3.21Å; E103-Q106 PolarHBondContact O-N 3.01Å; L104-Q106 PolarHBondContact O-N 3.4Å; Q106-L108 VanDerWaalsContact C-N 3.33Å; Q106-L108 PolarHBondContact O-N 3.19Å; Q106-T109 PolarHBondContact O-N 2.79Å; Q106-T109 PolarHBondContact O-OG1 3.25Å |
| 107 | R | 94.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -41.8 | 176 | 179.2 | 64.6 | 64 | 76.6 | 9.6 | 112.3 | E102 E103 L104 T109 K110 F111 L150 T152 R153 D154 | E102-R107 HydrophobicContact CG-CB 4.09Å; E102-R107 IonicContact OE1-CZ 2.65Å; E102-R107 IonicContact OE1-NE 2.74Å; E102-R107 PolarHBondContact OE1-NE 2.84Å; E102-R107 IonicContact OE1-NH2 3.08Å; E102-R107 PolarHBondContact OE1-NH2 3.2Å; E103-R107 PolarHBondContact O-N 3.19Å; E103-R107 VanDerWaalsContact O-N 3.1Å; L104-R107 WeakPolarHBondContact O-CA 3.5Å; L104-R107 WeakPolarHBondContact O-CB 3.45Å; L104-R107 PolarHBondContact O-N 2.98Å; R107-T109 PolarHBondContact O-N 3Å; R107-K110 PolarHBondContact O-N 3.46Å; R107-F111 HydrophobicContact CG-CD2 4.32Å; R107-F111 HydrophobicContact CG-CE2 3.66Å; R107-F111 HydrophobicContact CG-CZ 4.39Å; R107-F111 WeakPolarHBondContact O-CD2 3.41Å; R107-L150 HydrophobicContact CB-CD1 3.45Å; R107-L150 VanDerWaalsContact CB-CD1 3.45Å; R107-L150 HydrophobicContact CG-CD1 3.56Å; R107-L150 VanDerWaalsContact CZ-CD1 3.47Å; R107-T152 PolarHBondContact NH2-O 3.44Å; R107-R153 PolarHBondContact NH2-O 3.42Å; R107-D154 PolarHBondContact NH1-O 3.39Å |
| 108 | L | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.5 | -32.1 | -179.1 | -73.4 | 177.1 | 0 | 0 | 0 | 112.4 | L104 Q106 K110 F111 Y114 T118 Y122 M212 L294 | L104-L108 HydrophobicContact CD1-CD1 4.41Å; L104-L108 HydrophobicContact CD1-CD2 4.14Å; L104-L108 HydrophobicContact CD1-CG 4.03Å; L104-L108 HydrophobicContact CG-CD1 4.1Å; L104-L108 HydrophobicContact CG-CG 4.18Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 2.81Å; Q106-L108 VanDerWaalsContact C-N 3.33Å; Q106-L108 PolarHBondContact O-N 3.19Å; L108-K110 VanDerWaalsContact C-N 3.26Å; L108-K110 PolarHBondContact O-N 3.16Å; L108-F111 HydrophobicContact CD2-CE2 4.4Å; L108-Y114 HydrophobicContact CB-CE2 3.74Å; L108-Y114 HydrophobicContact CD1-CE2 4.5Å; L108-Y114 HydrophobicContact CD2-CE2 3.77Å; L108-Y114 HydrophobicContact CG-CE2 4.15Å; L108-Y114 VanDerWaalsContact O-CD2 3.31Å; L108-Y114 WeakPolarHBondContact O-CD2 3.45Å; L108-T118 HydrophobicContact CD2-CG2 4.43Å; L108-Y122 HydrophobicContact CD2-CD2 3.9Å; L108-Y122 HydrophobicContact CD2-CE2 4.32Å; L108-M212 HydrophobicContact CD1-CE 3.78Å; L108-M212 HydrophobicContact CD1-CG 3.95Å; L108-L294 HydrophobicContact CB-CD2 3.52Å; L108-L294 HydrophobicContact CD1-CD2 4.27Å |
| 109 | T | 93.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -14.6 | 175.5 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | Q106 R107 Q291 L294 E295 N298 | Q106-T109 PolarHBondContact O-N 2.79Å; Q106-T109 PolarHBondContact O-OG1 3.25Å; R107-T109 PolarHBondContact O-N 3Å; T109-Q291 PolarHBondContact O-NE2 3.28Å; T109-L294 HydrophobicContact CG2-CB 4.16Å; T109-L294 HydrophobicContact CG2-CD2 4.16Å; T109-L294 HydrophobicContact CG2-CG 3.9Å; T109-E295 VanDerWaalsContact CB-CG 3.44Å; T109-E295 HydrophobicContact CG2-CB 4.27Å; T109-E295 HydrophobicContact CG2-CG 3.5Å; T109-N298 WeakPolarHBondContact CG2-ND2 3.1Å |
| 110 | K | 93.1 | Very high | 93.3 | Very high | 129 Ų | 129 | 38.2 Ų | 38.2 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 2.4 | -173.5 | -61.1 | 172.1 | -174.7 | 169.3 | 0 | 113.5 | E102 R107 L108 | E102-K110 IonicContact OE1-NZ 3.52Å; E102-K110 IonicContact OE2-NZ 3.21Å; E102-K110 PolarHBondContact OE2-NZ 2.87Å; R107-K110 PolarHBondContact O-N 3.46Å; L108-K110 VanDerWaalsContact C-N 3.26Å; L108-K110 PolarHBondContact O-N 3.16Å |
| 111 | F | 90.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 20% | 0.202 | 20% | 0.197 | C | C | . | . | trans | -69.9 | 133.5 | 179.9 | -92.2 | -85.8 | 0 | 0 | 0 | 111.1 | R107 L108 V113 T118 Y122 Q291 | R107-F111 HydrophobicContact CG-CD2 4.32Å; R107-F111 HydrophobicContact CG-CE2 3.66Å; R107-F111 HydrophobicContact CG-CZ 4.39Å; R107-F111 WeakPolarHBondContact O-CD2 3.41Å; L108-F111 HydrophobicContact CD2-CE2 4.4Å; F111-V113 PolarHBondContact O-N 3.28Å; F111-T118 HydrophobicContact CD1-CG2 4.14Å; F111-T118 HydrophobicContact CD2-CG2 4.2Å; F111-T118 HydrophobicContact CE1-CG2 4.14Å; F111-T118 HydrophobicContact CE2-CG2 4.14Å; F111-T118 HydrophobicContact CG-CG2 4.18Å; F111-T118 HydrophobicContact CZ-CG2 4.15Å; F111-Y122 AromaticContact CE2-CE2 3.7Å; F111-Y122 HydrophobicContact CE2-CE2 3.7Å; F111-Y122 AromaticContact CZ-CE2 3.57Å; F111-Y122 HydrophobicContact CZ-CE2 3.57Å; F111-Y122 AromaticContact CZ-CZ 3.91Å; F111-Y122 WeakPolarHBondContact CZ-OH 3.38Å; F111-Q291 PolarHBondContact O-NE2 3.11Å | ||
| 112 | P | 89.3 | Confident | 93.6 | Very high | 117 Ų | 117 | 37.9 Ų | 37.9 | 76% | 0.76 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -63.2 | -29.9 | 172.1 | -22.8 | 33.2 | 0 | 0 | 0 | 113.2 | ||
| 113 | V | 90.1 | Very high | 93.9 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 41% | 0.412 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -133 | 104.8 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | F111 N115 T118 H286 | F111-V113 PolarHBondContact O-N 3.28Å; V113-N115 WeakPolarHBondContact CG1-ND2 3.37Å; V113-T118 PolarHBondContact O-OG1 3.09Å; V113-H286 HydrophobicContact CG1-CB 4.45Å |
| 114 | Y | 92.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -96.7 | 114.2 | 172.8 | -167.5 | -98.4 | 0 | 0 | 0 | 110.4 | L108 V119 M212 H286 L287 V290 Q291 L294 | L108-Y114 HydrophobicContact CB-CE2 3.74Å; L108-Y114 HydrophobicContact CD1-CE2 4.5Å; L108-Y114 HydrophobicContact CD2-CE2 3.77Å; L108-Y114 HydrophobicContact CG-CE2 4.15Å; L108-Y114 VanDerWaalsContact O-CD2 3.31Å; L108-Y114 WeakPolarHBondContact O-CD2 3.45Å; Y114-V119 HydrophobicContact CE1-CG2 4.04Å; Y114-V119 HydrophobicContact CE2-CG2 4.16Å; Y114-V119 WeakPolarHBondContact OH-CG2 3.13Å; Y114-M212 PolarHBondContact OH-O 3.46Å; Y114-H286 VanDerWaalsContact CB-CE1 3.46Å; Y114-H286 WeakPolarHBondContact CB-CE1 3.37Å; Y114-H286 PolarHBondContact N-CE1 3.41Å; Y114-H286 PolarHBondContact N-ND1 3.45Å; Y114-H286 CarbonylContact O-C 3.58Å; Y114-H286 WeakPolarHBondContact O-CA 3.17Å; Y114-H286 PolarHBondContact O-ND1 3.11Å; Y114-L287 HydrophobicContact CD1-CB 4.2Å; Y114-L287 PolarHBondContact O-N 2.88Å; Y114-V290 HydrophobicContact CD1-CB 4.48Å; Y114-V290 HydrophobicContact CD1-CG1 4.2Å; Y114-V290 HydrophobicContact CE1-CB 4.3Å; Y114-V290 HydrophobicContact CE1-CG1 3.56Å; Y114-Q291 HydrophobicContact CD1-CB 4.48Å; Y114-Q291 HydrophobicContact CG-CB 4.41Å; Y114-L294 HydrophobicContact CE2-CD2 4.49Å | ||
| 115 | N | 92.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | trans | -149.8 | 176.5 | -178.4 | 63.3 | 27 | 0 | 0 | 0 | 110.9 | V113 K117 T118 V119 N283 E284 Q285 | V113-N115 WeakPolarHBondContact CG1-ND2 3.37Å; N115-K117 VanDerWaalsContact C-N 3.25Å; N115-K117 PolarHBondContact O-N 3.42Å; N115-K117 WeakPolarHBondContact OD1-CB 3.35Å; N115-K117 PolarHBondContact OD1-N 3.49Å; N115-K117 VanDerWaalsContact OD1-N 3.17Å; N115-T118 PolarHBondContact O-N 3.4Å; N115-T118 PolarHBondContact OD1-N 3.45Å; N115-T118 PolarHBondContact OD1-OG1 3.34Å; N115-V119 PolarHBondContact O-N 2.93Å; N115-V119 VanDerWaalsContact O-N 3.08Å; N115-N283 WeakPolarHBondContact CB-O 3.48Å; N115-E284 WeakPolarHBondContact ND2-CA 3.23Å; N115-E284 PolarHBondContact ND2-O 3.22Å; N115-Q285 VanDerWaalsContact CB-O 3.23Å; N115-Q285 WeakPolarHBondContact CB-O 3.4Å | ||
| 116 | E | 93.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -33.4 | -178.7 | -71.7 | -174.9 | -118.8 | 0 | 0 | 113 | V119 L120 L213 I246 S247 A250 W276 N283 | E116-V119 PolarHBondContact O-N 3.01Å; E116-L120 VanDerWaalsContact O-CB 3.3Å; E116-L120 WeakPolarHBondContact O-CB 3.48Å; E116-L120 PolarHBondContact O-N 2.9Å; E116-L213 HydrophobicContact CG-CD2 4.22Å; E116-I246 HydrophobicContact CG-CD1 4.32Å; E116-S247 WeakPolarHBondContact OE1-CB 3.33Å; E116-S247 PolarHBondContact OE1-N 3.29Å; E116-S247 VanDerWaalsContact OE2-CB 3.3Å; E116-S247 WeakPolarHBondContact OE2-CB 3.42Å; E116-S247 PolarHBondContact OE2-OG 3.35Å; E116-A250 WeakPolarHBondContact OE2-CB 3.27Å; E116-W276 PolarHBondContact OE2-NE1 3.45Å; E116-N283 PolarHBondContact OE1-ND2 3.38Å |
| 117 | K | 92.8 | Very high | 94.5 | Very high | 93 Ų | 93 | 35.8 Ų | 35.8 | 40% | 0.404 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 177.7 | -179.6 | 177.8 | 176.7 | 175.1 | 0 | 111.4 | N115 H121 E284 | N115-K117 VanDerWaalsContact C-N 3.25Å; N115-K117 PolarHBondContact O-N 3.42Å; N115-K117 WeakPolarHBondContact OD1-CB 3.35Å; N115-K117 PolarHBondContact OD1-N 3.49Å; N115-K117 VanDerWaalsContact OD1-N 3.17Å; K117-H121 WeakPolarHBondContact O-CB 3.48Å; K117-H121 PolarHBondContact O-N 3.3Å; K117-E284 IonicContact NZ-OE1 3.39Å; K117-E284 PolarHBondContact NZ-OE1 3.03Å |
| 118 | T | 93.2 | Very high | 94.6 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 172.9 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | L108 F111 V113 N115 H121 Y122 | L108-T118 HydrophobicContact CD2-CG2 4.43Å; F111-T118 HydrophobicContact CD1-CG2 4.14Å; F111-T118 HydrophobicContact CD2-CG2 4.2Å; F111-T118 HydrophobicContact CE1-CG2 4.14Å; F111-T118 HydrophobicContact CE2-CG2 4.14Å; F111-T118 HydrophobicContact CG-CG2 4.18Å; F111-T118 HydrophobicContact CZ-CG2 4.15Å; V113-T118 PolarHBondContact O-OG1 3.09Å; N115-T118 PolarHBondContact O-N 3.4Å; N115-T118 PolarHBondContact OD1-N 3.45Å; N115-T118 PolarHBondContact OD1-OG1 3.34Å; T118-H121 PolarHBondContact O-N 2.92Å; T118-Y122 HydrophobicContact CG2-CD2 4.33Å; T118-Y122 HydrophobicContact CG2-CE2 4.21Å; T118-Y122 WeakPolarHBondContact O-CD2 3.32Å; T118-Y122 PolarHBondContact O-N 3.49Å |
| 119 | V | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | Y114 N115 E116 H121 Y122 F123 L209 M212 L213 W276 | Y114-V119 HydrophobicContact CE1-CG2 4.04Å; Y114-V119 HydrophobicContact CE2-CG2 4.16Å; Y114-V119 WeakPolarHBondContact OH-CG2 3.13Å; N115-V119 PolarHBondContact O-N 2.93Å; N115-V119 VanDerWaalsContact O-N 3.08Å; E116-V119 PolarHBondContact O-N 3.01Å; V119-H121 VanDerWaalsContact C-N 3.32Å; V119-H121 PolarHBondContact O-N 2.97Å; V119-Y122 PolarHBondContact O-N 3.39Å; V119-F123 VanDerWaalsContact O-CB 3.28Å; V119-F123 WeakPolarHBondContact O-CB 3.3Å; V119-F123 PolarHBondContact O-N 3.38Å; V119-L209 HydrophobicContact CG1-CD1 3.84Å; V119-M212 HydrophobicContact CG1-CB 3.78Å; V119-M212 HydrophobicContact CG1-CE 3.91Å; V119-M212 HydrophobicContact CG1-SD 4.49Å; V119-M212 HydrophobicContact CG2-CB 4.42Å; V119-L213 HydrophobicContact CB-CD2 4.29Å; V119-L213 HydrophobicContact CG1-CD2 3.83Å; V119-L213 HydrophobicContact CG1-CG 4.22Å; V119-W276 HydrophobicContact CG1-CH2 4.21Å |
| 120 | L | 95.3 | Very high | 94.9 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 12% | 0.115 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 178.8 | 176.5 | 62.2 | 0 | 0 | 0 | 112 | E116 Y122 F123 R124 W276 F277 | E116-L120 VanDerWaalsContact O-CB 3.3Å; E116-L120 WeakPolarHBondContact O-CB 3.48Å; E116-L120 PolarHBondContact O-N 2.9Å; L120-Y122 VanDerWaalsContact C-N 3.31Å; L120-Y122 PolarHBondContact O-N 2.79Å; L120-F123 PolarHBondContact O-N 3Å; L120-R124 VanDerWaalsContact O-CB 3.29Å; L120-R124 WeakPolarHBondContact O-CB 3.36Å; L120-R124 PolarHBondContact O-N 2.92Å; L120-W276 HydrophobicContact CB-CH2 3.84Å; L120-W276 HydrophobicContact CB-CZ2 3.81Å; L120-W276 HydrophobicContact CB-CZ3 4.41Å; L120-W276 HydrophobicContact CD1-CD2 4.07Å; L120-W276 HydrophobicContact CD1-CE3 3.64Å; L120-W276 HydrophobicContact CD1-CH2 3.9Å; L120-W276 HydrophobicContact CD1-CZ2 4.31Å; L120-W276 HydrophobicContact CD1-CZ3 3.56Å; L120-W276 WeakPolarHBondContact CD2-O 3.26Å; L120-W276 HydrophobicContact CG-CH2 4.47Å; L120-F277 HydrophobicContact CD1-CD1 4.05Å; L120-F277 HydrophobicContact CD1-CD2 4.22Å; L120-F277 HydrophobicContact CD1-CE1 4.23Å; L120-F277 HydrophobicContact CD1-CE2 4.37Å; L120-F277 HydrophobicContact CD1-CG 4.04Å; L120-F277 HydrophobicContact CD1-CZ 4.38Å |
| 121 | H | 94.4 | Very high | 95.2 | Very high | 85 Ų | 85 | 32.7 Ų | 32.7 | 39% | 0.394 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -55.5 | -45.3 | 179 | 172.6 | 78 | 0 | 0 | 0 | 112.5 | K117 T118 V119 Q125 | K117-H121 WeakPolarHBondContact O-CB 3.48Å; K117-H121 PolarHBondContact O-N 3.3Å; T118-H121 PolarHBondContact O-N 2.92Å; V119-H121 VanDerWaalsContact C-N 3.32Å; V119-H121 PolarHBondContact O-N 2.97Å; H121-Q125 PolarHBondContact NE2-NE2 3.08Å; H121-Q125 VanDerWaalsContact NE2-NE2 3.18Å; H121-Q125 PolarHBondContact O-NE2 3.09Å; H121-Q125 VanDerWaalsContact O-NE2 3.15Å |
| 122 | Y | 97.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -81 | -39.6 | 178.4 | -71.8 | -67.9 | 0 | 0 | 0 | 112.5 | L104 L108 F111 T118 V119 L120 R124 Q125 M126 L150 V159 | L104-Y122 HydrophobicContact CD1-CD1 3.55Å; L104-Y122 HydrophobicContact CD1-CD2 3.89Å; L104-Y122 HydrophobicContact CD1-CE1 3.97Å; L104-Y122 HydrophobicContact CD1-CE2 4.27Å; L104-Y122 HydrophobicContact CD1-CG 3.51Å; L104-Y122 HydrophobicContact CD2-CG 4.39Å; L108-Y122 HydrophobicContact CD2-CD2 3.9Å; L108-Y122 HydrophobicContact CD2-CE2 4.32Å; F111-Y122 AromaticContact CE2-CE2 3.7Å; F111-Y122 HydrophobicContact CE2-CE2 3.7Å; F111-Y122 AromaticContact CZ-CE2 3.57Å; F111-Y122 HydrophobicContact CZ-CE2 3.57Å; F111-Y122 AromaticContact CZ-CZ 3.91Å; F111-Y122 WeakPolarHBondContact CZ-OH 3.38Å; T118-Y122 HydrophobicContact CG2-CD2 4.33Å; T118-Y122 HydrophobicContact CG2-CE2 4.21Å; T118-Y122 WeakPolarHBondContact O-CD2 3.32Å; T118-Y122 PolarHBondContact O-N 3.49Å; V119-Y122 PolarHBondContact O-N 3.39Å; L120-Y122 VanDerWaalsContact C-N 3.31Å; L120-Y122 PolarHBondContact O-N 2.79Å; Y122-R124 VanDerWaalsContact C-N 3.3Å; Y122-R124 PolarHBondContact O-N 3.12Å; Y122-Q125 WeakPolarHBondContact O-CB 3.42Å; Y122-Q125 PolarHBondContact O-N 3.13Å; Y122-Q125 VanDerWaalsContact O-N 3.17Å; Y122-M126 PolarHBondContact O-N 3.44Å; Y122-M126 VanDerWaalsContact O-N 3.16Å; Y122-L150 HydrophobicContact CD1-CD2 4.24Å; Y122-L150 HydrophobicContact CE1-CD2 3.75Å; Y122-V159 HydrophobicContact CD1-CG2 3.67Å; Y122-V159 HydrophobicContact CG-CG2 4.43Å |
| 123 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.4 | -36.8 | -180 | -170.9 | -107.4 | 0 | 0 | 0 | 112 | V119 L120 Q125 M126 V127 L205 L209 M212 L257 L271 W276 F277 | V119-F123 VanDerWaalsContact O-CB 3.28Å; V119-F123 WeakPolarHBondContact O-CB 3.3Å; V119-F123 PolarHBondContact O-N 3.38Å; L120-F123 PolarHBondContact O-N 3Å; F123-Q125 VanDerWaalsContact C-N 3.31Å; F123-Q125 PolarHBondContact O-N 3.38Å; F123-M126 HydrophobicContact CD2-CE 4.33Å; F123-M126 HydrophobicContact CD2-SD 4.15Å; F123-M126 WeakPolarHBondContact O-CB 3.43Å; F123-M126 PolarHBondContact O-N 3.38Å; F123-M126 VanDerWaalsContact O-N 3.11Å; F123-V127 HydrophobicContact CD1-CG2 4Å; F123-V127 HydrophobicContact CE1-CG2 3.63Å; F123-V127 HydrophobicContact CZ-CG2 3.97Å; F123-V127 WeakPolarHBondContact O-CG2 3.28Å; F123-V127 PolarHBondContact O-N 3.18Å; F123-L205 HydrophobicContact CE2-CB 4.18Å; F123-L205 HydrophobicContact CE2-CD2 4.04Å; F123-L205 WeakPolarHBondContact CE2-O 3.47Å; F123-L205 HydrophobicContact CZ-CB 4.08Å; F123-L205 HydrophobicContact CZ-CD2 4.49Å; F123-L209 HydrophobicContact CB-CD1 4.34Å; F123-L209 HydrophobicContact CD1-CD1 4.05Å; F123-L209 HydrophobicContact CD1-CD2 4.18Å; F123-L209 HydrophobicContact CD2-CB 4.08Å; F123-L209 HydrophobicContact CD2-CD1 3.99Å; F123-L209 HydrophobicContact CD2-CG 4.49Å; F123-L209 HydrophobicContact CE1-CB 4.42Å; F123-L209 HydrophobicContact CE1-CD1 4.35Å; F123-L209 HydrophobicContact CE1-CD2 3.74Å; F123-L209 HydrophobicContact CE1-CG 4.39Å; F123-L209 HydrophobicContact CE2-CB 3.62Å; F123-L209 HydrophobicContact CE2-CD1 4.31Å; F123-L209 HydrophobicContact CE2-CD2 4.45Å; F123-L209 HydrophobicContact CE2-CG 4.33Å; F123-L209 HydrophobicContact CG-CD1 3.85Å; F123-L209 HydrophobicContact CZ-CB 3.8Å; F123-L209 HydrophobicContact CZ-CD1 4.47Å; F123-L209 HydrophobicContact CZ-CD2 3.89Å; F123-L209 HydrophobicContact CZ-CG 4.26Å; F123-M212 HydrophobicContact CB-CE 4.36Å; F123-M212 HydrophobicContact CD2-SD 4.19Å; F123-L257 HydrophobicContact CE1-CD1 4.22Å; F123-L257 HydrophobicContact CZ-CD1 3.79Å; F123-L271 HydrophobicContact CE1-CD2 4.45Å; F123-W276 AromaticContact CD1-CZ3 3.91Å; F123-W276 HydrophobicContact CD1-CZ3 3.91Å; F123-F277 HydrophobicContact CD1-CE2 4.31Å; F123-F277 AromaticContact CD1-CZ 3.64Å; F123-F277 HydrophobicContact CD1-CZ 3.64Å; F123-F277 HydrophobicContact CE1-CE2 4.31Å; F123-F277 AromaticContact CE1-CZ 3.8Å; F123-F277 HydrophobicContact CE1-CZ 3.8Å |
| 124 | R | 97.3 | Very high | 95.8 | Very high | 106 Ų | 106 | 23.7 Ų | 23.7 | 40% | 0.4 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -58.1 | -43.4 | 174 | -174.1 | 177.2 | 70.4 | -149.4 | 1.8 | 112.5 | L120 Y122 M126 V127 D128 L272 F277 | L120-R124 VanDerWaalsContact O-CB 3.29Å; L120-R124 WeakPolarHBondContact O-CB 3.36Å; L120-R124 PolarHBondContact O-N 2.92Å; Y122-R124 VanDerWaalsContact C-N 3.3Å; Y122-R124 PolarHBondContact O-N 3.12Å; R124-M126 VanDerWaalsContact C-N 3.29Å; R124-M126 PolarHBondContact O-N 3.15Å; R124-V127 PolarHBondContact O-N 3.39Å; R124-D128 PolarHBondContact O-N 3.44Å; R124-L272 HydrophobicContact CG-CD2 4.21Å; R124-F277 HydrophobicContact CB-CD1 4.33Å; R124-F277 HydrophobicContact CB-CE1 4.02Å; R124-F277 HydrophobicContact CG-CD1 4.12Å; R124-F277 HydrophobicContact CG-CE1 4.1Å |
| 125 | Q | 98.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 29 Ų | 29 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -36 | 176.5 | -68.7 | 178 | 65 | 0 | 0 | 112.4 | N78 H121 Y122 F123 G129 I158 V159 | N78-Q125 VanDerWaalsContact CB-O 3.31Å; N78-Q125 WeakPolarHBondContact CB-O 3.39Å; N78-Q125 WeakPolarHBondContact ND2-CB 3.44Å; N78-Q125 PolarHBondContact ND2-OE1 3.19Å; H121-Q125 PolarHBondContact NE2-NE2 3.08Å; H121-Q125 VanDerWaalsContact NE2-NE2 3.18Å; H121-Q125 PolarHBondContact O-NE2 3.09Å; H121-Q125 VanDerWaalsContact O-NE2 3.15Å; Y122-Q125 WeakPolarHBondContact O-CB 3.42Å; Y122-Q125 PolarHBondContact O-N 3.13Å; Y122-Q125 VanDerWaalsContact O-N 3.17Å; F123-Q125 VanDerWaalsContact C-N 3.31Å; F123-Q125 PolarHBondContact O-N 3.38Å; Q125-G129 PolarHBondContact O-N 3.35Å; Q125-G129 VanDerWaalsContact O-N 3.11Å; Q125-I158 VanDerWaalsContact OE1-CA 3.3Å; Q125-I158 VanDerWaalsContact OE1-CB 3.27Å; Q125-V159 HydrophobicContact CB-CB 3.85Å; Q125-V159 HydrophobicContact CB-CG2 3.78Å |
| 126 | M | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -47.8 | 173.3 | -63.8 | 167.1 | 58.3 | 0 | 0 | 111 | L104 Y122 F123 R124 D128 G129 I130 I148 V159 I161 L205 L208 M212 | L104-M126 HydrophobicContact CD2-SD 3.92Å; Y122-M126 PolarHBondContact O-N 3.44Å; Y122-M126 VanDerWaalsContact O-N 3.16Å; F123-M126 HydrophobicContact CD2-CE 4.33Å; F123-M126 HydrophobicContact CD2-SD 4.15Å; F123-M126 WeakPolarHBondContact O-CB 3.43Å; F123-M126 PolarHBondContact O-N 3.38Å; F123-M126 VanDerWaalsContact O-N 3.11Å; R124-M126 VanDerWaalsContact C-N 3.29Å; R124-M126 PolarHBondContact O-N 3.15Å; M126-D128 VanDerWaalsContact C-N 3.34Å; M126-D128 PolarHBondContact O-N 2.97Å; M126-G129 PolarHBondContact O-N 3.36Å; M126-I130 WeakPolarHBondContact O-CG1 3.45Å; M126-I130 PolarHBondContact O-N 2.8Å; M126-I148 HydrophobicContact CE-CD1 4.05Å; M126-I148 HydrophobicContact CE-CG1 4.08Å; M126-I148 HydrophobicContact CE-CG2 4.46Å; M126-I148 HydrophobicContact CG-CG2 4.12Å; M126-I148 HydrophobicContact SD-CG2 4.06Å; M126-V159 HydrophobicContact CG-CG1 3.87Å; M126-V159 HydrophobicContact CG-CG2 4.43Å; M126-I161 WeakPolarHBondContact O-CD1 3.5Å; M126-L205 HydrophobicContact CB-CD2 4.08Å; M126-L205 HydrophobicContact CE-CD2 3.85Å; M126-L208 HydrophobicContact CE-CB 4.09Å; M126-L208 HydrophobicContact CE-CD1 3.62Å; M126-L208 HydrophobicContact CE-CG 4.41Å; M126-M212 HydrophobicContact SD-SD 4.31Å |
| 127 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | F123 R124 I130 R131 L205 T268 L271 L272 F277 | F123-V127 HydrophobicContact CD1-CG2 4Å; F123-V127 HydrophobicContact CE1-CG2 3.63Å; F123-V127 HydrophobicContact CZ-CG2 3.97Å; F123-V127 WeakPolarHBondContact O-CG2 3.28Å; F123-V127 PolarHBondContact O-N 3.18Å; R124-V127 PolarHBondContact O-N 3.39Å; V127-I130 PolarHBondContact O-N 2.67Å; V127-R131 WeakPolarHBondContact O-CB 3.06Å; V127-R131 PolarHBondContact O-N 3.25Å; V127-L205 HydrophobicContact CG2-CD1 4.28Å; V127-T268 HydrophobicContact CG1-CG2 4.13Å; V127-L271 HydrophobicContact CB-CD2 4.41Å; V127-L271 HydrophobicContact CG1-CD2 3.84Å; V127-L271 HydrophobicContact CG1-CG 4.4Å; V127-L271 HydrophobicContact CG2-CD2 3.59Å; V127-L272 HydrophobicContact CB-CD2 4.35Å; V127-L272 HydrophobicContact CG1-CD1 4.35Å; V127-L272 HydrophobicContact CG1-CD2 3.72Å; V127-L272 HydrophobicContact CG1-CG 3.81Å; V127-F277 HydrophobicContact CB-CE1 4.45Å; V127-F277 HydrophobicContact CG2-CE1 4.3Å; V127-F277 HydrophobicContact CG2-CZ 3.99Å |
| 128 | D | 97.8 | Very high | 95.1 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 177.2 | -78.8 | -36.1 | 0 | 0 | 0 | 112.1 | R124 M126 R131 Y132 | R124-D128 PolarHBondContact O-N 3.44Å; M126-D128 VanDerWaalsContact C-N 3.34Å; M126-D128 PolarHBondContact O-N 2.97Å; D128-R131 PolarHBondContact O-N 3.35Å; D128-R131 IonicContact OD1-NE 2.73Å; D128-R131 IonicContact OD1-NH2 3.75Å; D128-Y132 PolarHBondContact O-N 3.26Å |
| 129 | G | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q125 M126 Y132 L133 | Q125-G129 PolarHBondContact O-N 3.35Å; Q125-G129 VanDerWaalsContact O-N 3.11Å; M126-G129 PolarHBondContact O-N 3.36Å; G129-Y132 PolarHBondContact O-N 2.87Å; G129-L133 PolarHBondContact O-N 2.79Å; G129-L133 VanDerWaalsContact O-N 3.15Å |
| 130 | I | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.6 | -40.1 | 178 | -67.1 | -51.3 | 0 | 0 | 0 | 112.2 | M126 V127 Y132 L133 H134 H140 L143 I161 D201 L205 T268 | M126-I130 WeakPolarHBondContact O-CG1 3.45Å; M126-I130 PolarHBondContact O-N 2.8Å; V127-I130 PolarHBondContact O-N 2.67Å; I130-Y132 VanDerWaalsContact C-N 3.3Å; I130-Y132 PolarHBondContact O-N 2.94Å; I130-L133 HydrophobicContact CD1-CD1 4.06Å; I130-L133 PolarHBondContact O-N 3.46Å; I130-H134 VanDerWaalsContact CG2-CE1 3.48Å; I130-H134 WeakPolarHBondContact CG2-CE1 3.27Å; I130-H134 WeakPolarHBondContact CG2-NE2 3.24Å; I130-H134 WeakPolarHBondContact O-CB 3.37Å; I130-H134 PolarHBondContact O-CD2 3.25Å; I130-H134 VanDerWaalsContact O-CD2 3.29Å; I130-H134 VanDerWaalsContact O-CG 3.25Å; I130-H134 PolarHBondContact O-N 2.86Å; I130-H140 HydrophobicContact CD1-CB 4.13Å; I130-L143 HydrophobicContact CD1-CD1 3.73Å; I130-L143 HydrophobicContact CD1-CD2 4.02Å; I130-L143 HydrophobicContact CD1-CG 4.2Å; I130-L143 HydrophobicContact CG1-CD1 3.89Å; I130-I161 HydrophobicContact CD1-CD1 4Å; I130-I161 HydrophobicContact CG1-CD1 4.04Å; I130-D201 HydrophobicContact CG2-CB 4.09Å; I130-L205 HydrophobicContact CB-CD1 4.17Å; I130-L205 HydrophobicContact CG1-CD1 4.13Å; I130-L205 HydrophobicContact CG1-CD2 4.43Å; I130-L205 HydrophobicContact CG2-CD1 4.11Å; I130-T268 HydrophobicContact CG2-CG2 4.28Å |
| 131 | R | 97.4 | Very high | 94.3 | Very high | 65 Ų | 65 | 32.3 Ų | 32.3 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.6 | -47.5 | 172.9 | -178.8 | 176.7 | 62.8 | 79.2 | 2 | 111 | V127 D128 L133 H134 E135 T268 | V127-R131 WeakPolarHBondContact O-CB 3.06Å; V127-R131 PolarHBondContact O-N 3.25Å; D128-R131 PolarHBondContact O-N 3.35Å; D128-R131 IonicContact OD1-NE 2.73Å; D128-R131 IonicContact OD1-NH2 3.75Å; R131-L133 PolarHBondContact O-N 3.07Å; R131-H134 WeakPolarHBondContact O-CB 3.2Å; R131-H134 PolarHBondContact O-N 3.39Å; R131-E135 HydrophobicContact CG-CG 4.41Å; R131-E135 VanDerWaalsContact CG-OE1 3.25Å; R131-E135 WeakPolarHBondContact CG-OE1 3.36Å; R131-E135 IonicContact CZ-OE1 2.82Å; R131-E135 IonicContact NH1-OE1 2.65Å; R131-E135 PolarHBondContact NH1-OE1 3.36Å; R131-E135 IonicContact NH1-OE2 2.81Å; R131-E135 PolarHBondContact NH1-OE2 3.41Å; R131-E135 WeakPolarHBondContact O-CG 3.49Å; R131-E135 PolarHBondContact O-N 3.45Å; R131-T268 HydrophobicContact CB-CG2 4.14Å; R131-T268 WeakPolarHBondContact CB-OG1 3.38Å; R131-T268 WeakPolarHBondContact CG-OG1 3.32Å |
| 132 | Y | 96.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 178 | 179.8 | -92 | 0 | 0 | 0 | 112 | L74 D75 H76 L79 D128 G129 I130 H134 E135 Y136 | L74-Y132 HydrophobicContact CB-CE1 4.13Å; L74-Y132 HydrophobicContact CD2-CE1 3.73Å; L74-Y132 HydrophobicContact CG-CE1 4.46Å; D75-Y132 PolarHBondContact N-OH 3.03Å; D75-Y132 VanDerWaalsContact N-OH 3.08Å; H76-Y132 HydrophobicContact CB-CD1 3.78Å; H76-Y132 HydrophobicContact CB-CD2 4.25Å; H76-Y132 HydrophobicContact CB-CE1 3.92Å; H76-Y132 HydrophobicContact CB-CE2 4.39Å; H76-Y132 HydrophobicContact CB-CG 3.94Å; H76-Y132 AromaticContact CD2-CD2 3.75Å; H76-Y132 AromaticContact CD2-CG 3.79Å; H76-Y132 AromaticContact CG-CG 3.92Å; L79-Y132 HydrophobicContact CD1-CD1 3.62Å; L79-Y132 HydrophobicContact CD1-CE1 4.07Å; D128-Y132 PolarHBondContact O-N 3.26Å; G129-Y132 PolarHBondContact O-N 2.87Å; I130-Y132 VanDerWaalsContact C-N 3.3Å; I130-Y132 PolarHBondContact O-N 2.94Å; Y132-H134 VanDerWaalsContact C-N 3.31Å; Y132-H134 PolarHBondContact O-N 2.95Å; Y132-E135 PolarHBondContact O-N 2.82Å; Y132-Y136 HydrophobicContact CD1-CD2 4.43Å; Y132-Y136 HydrophobicContact CD2-CD2 4.4Å; Y132-Y136 HydrophobicContact CD2-CE2 4.13Å; Y132-Y136 HydrophobicContact CE1-CD2 4.13Å; Y132-Y136 HydrophobicContact CE1-CE2 4.14Å; Y132-Y136 HydrophobicContact CE2-CD2 4.09Å; Y132-Y136 AromaticContact CE2-CE2 3.48Å; Y132-Y136 HydrophobicContact CE2-CE2 3.48Å; Y132-Y136 VanDerWaalsContact CE2-CE2 3.48Å; Y132-Y136 AromaticContact CZ-CD2 3.95Å; Y132-Y136 AromaticContact CZ-CE2 3.49Å; Y132-Y136 VanDerWaalsContact CZ-CE2 3.49Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.27Å; Y132-Y136 PolarHBondContact O-N 2.91Å |
| 133 | L | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 175 | -70.6 | 179.9 | 0 | 0 | 0 | 111.7 | L74 L79 G129 I130 R131 E135 Y136 G137 I138 H140 Y164 | L74-L133 HydrophobicContact CD1-CD2 4.17Å; L79-L133 HydrophobicContact CD1-CD2 3.59Å; L79-L133 HydrophobicContact CD1-CG 3.89Å; L79-L133 HydrophobicContact CD2-CD1 4.14Å; L79-L133 HydrophobicContact CD2-CG 4.16Å; G129-L133 PolarHBondContact O-N 2.79Å; G129-L133 VanDerWaalsContact O-N 3.15Å; I130-L133 HydrophobicContact CD1-CD1 4.06Å; I130-L133 PolarHBondContact O-N 3.46Å; R131-L133 PolarHBondContact O-N 3.07Å; L133-E135 PolarHBondContact O-N 2.87Å; L133-Y136 CarbonylContact O-C 3.56Å; L133-Y136 WeakPolarHBondContact O-CA 3.4Å; L133-Y136 PolarHBondContact O-N 3.47Å; L133-Y136 VanDerWaalsContact O-N 3.12Å; L133-G137 PolarHBondContact O-N 3.24Å; L133-I138 CarbonylContact C-O 3.55Å; L133-I138 VanDerWaalsContact C-O 3.3Å; L133-I138 HydrophobicContact CB-CB 4.23Å; L133-I138 HydrophobicContact CB-CG2 4.37Å; L133-I138 HydrophobicContact CD2-CB 4.3Å; L133-I138 HydrophobicContact CD2-CD1 4.41Å; L133-I138 HydrophobicContact CD2-CG2 4.03Å; L133-I138 WeakPolarHBondContact O-CB 3.27Å; L133-I138 PolarHBondContact O-N 3.03Å; L133-H140 HydrophobicContact CD1-CB 4.22Å; L133-Y164 HydrophobicContact CD1-CG 4.22Å; L133-Y164 HydrophobicContact CD2-CD2 4.06Å; L133-Y164 HydrophobicContact CD2-CE2 4.48Å; L133-Y164 HydrophobicContact CD2-CG 4.21Å |
| 134 | H | 93.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -36.5 | -178.3 | -75.8 | -164.4 | 0 | 0 | 0 | 113.1 | I130 R131 Y132 Y136 G137 I138 K198 D201 L202 | I130-H134 VanDerWaalsContact CG2-CE1 3.48Å; I130-H134 WeakPolarHBondContact CG2-CE1 3.27Å; I130-H134 WeakPolarHBondContact CG2-NE2 3.24Å; I130-H134 WeakPolarHBondContact O-CB 3.37Å; I130-H134 PolarHBondContact O-CD2 3.25Å; I130-H134 VanDerWaalsContact O-CD2 3.29Å; I130-H134 VanDerWaalsContact O-CG 3.25Å; I130-H134 PolarHBondContact O-N 2.86Å; R131-H134 WeakPolarHBondContact O-CB 3.2Å; R131-H134 PolarHBondContact O-N 3.39Å; Y132-H134 VanDerWaalsContact C-N 3.31Å; Y132-H134 PolarHBondContact O-N 2.95Å; H134-Y136 VanDerWaalsContact C-N 3.27Å; H134-Y136 PolarHBondContact O-N 3.09Å; H134-G137 PolarHBondContact O-N 2.61Å; H134-G137 VanDerWaalsContact O-N 3.1Å; H134-I138 PolarHBondContact CD2-O 3.09Å; H134-I138 VanDerWaalsContact CD2-O 3.29Å; H134-K198 HydrophobicContact CB-CD 3.93Å; H134-K198 PolarHBondContact CE1-O 3.36Å; H134-K198 PolarHBondContact NE2-O 2.53Å; H134-D201 IonicContact CD2-OD2 3.39Å; H134-D201 IonicContact CE1-OD2 2.83Å; H134-D201 IonicContact NE2-OD2 3.57Å; H134-D201 PolarHBondContact NE2-OD2 3.44Å; H134-L202 WeakPolarHBondContact CE1-CD2 3.27Å |
| 135 | E | 92.6 | Very high | 93 | Very high | 112 Ų | 112 | 25.4 Ų | 25.4 | 52% | 0.523 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.9 | -31.9 | 173.4 | -75.1 | 169.2 | -175.7 | 0 | 0 | 111.8 | R131 Y132 L133 G137 | R131-E135 HydrophobicContact CG-CG 4.41Å; R131-E135 VanDerWaalsContact CG-OE1 3.25Å; R131-E135 WeakPolarHBondContact CG-OE1 3.36Å; R131-E135 IonicContact CZ-OE1 2.82Å; R131-E135 IonicContact NH1-OE1 2.65Å; R131-E135 PolarHBondContact NH1-OE1 3.36Å; R131-E135 IonicContact NH1-OE2 2.81Å; R131-E135 PolarHBondContact NH1-OE2 3.41Å; R131-E135 WeakPolarHBondContact O-CG 3.49Å; R131-E135 PolarHBondContact O-N 3.45Å; Y132-E135 PolarHBondContact O-N 2.82Å; L133-E135 PolarHBondContact O-N 2.87Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 3.27Å |
| 136 | Y | 89.1 | Confident | 92.5 | Very high | 96 Ų | 96 | 25.7 Ų | 25.7 | 38% | 0.376 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 5.8 | 172.2 | -83.6 | -101 | 0 | 0 | 0 | 113.8 | L74 Y132 L133 H134 I138 | L74-Y136 HydrophobicContact CD2-CD1 3.56Å; L74-Y136 HydrophobicContact CD2-CD2 4.24Å; L74-Y136 HydrophobicContact CD2-CE1 4.03Å; L74-Y136 HydrophobicContact CD2-CG 3.67Å; Y132-Y136 HydrophobicContact CD1-CD2 4.43Å; Y132-Y136 HydrophobicContact CD2-CD2 4.4Å; Y132-Y136 HydrophobicContact CD2-CE2 4.13Å; Y132-Y136 HydrophobicContact CE1-CD2 4.13Å; Y132-Y136 HydrophobicContact CE1-CE2 4.14Å; Y132-Y136 HydrophobicContact CE2-CD2 4.09Å; Y132-Y136 AromaticContact CE2-CE2 3.48Å; Y132-Y136 HydrophobicContact CE2-CE2 3.48Å; Y132-Y136 VanDerWaalsContact CE2-CE2 3.48Å; Y132-Y136 AromaticContact CZ-CD2 3.95Å; Y132-Y136 AromaticContact CZ-CE2 3.49Å; Y132-Y136 VanDerWaalsContact CZ-CE2 3.49Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.27Å; Y132-Y136 PolarHBondContact O-N 2.91Å; L133-Y136 CarbonylContact O-C 3.56Å; L133-Y136 WeakPolarHBondContact O-CA 3.4Å; L133-Y136 PolarHBondContact O-N 3.47Å; L133-Y136 VanDerWaalsContact O-N 3.12Å; H134-Y136 VanDerWaalsContact C-N 3.27Å; H134-Y136 PolarHBondContact O-N 3.09Å; Y136-I138 VanDerWaalsContact C-N 3.27Å; Y136-I138 PolarHBondContact O-N 2.92Å |
| 137 | G | 87.4 | Confident | 92.2 | Very high | 39 Ų | 39 | 25.7 Ų | 25.7 | 40% | 0.402 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 17.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L133 H134 E135 | L133-G137 PolarHBondContact O-N 3.24Å; H134-G137 PolarHBondContact O-N 2.61Å; H134-G137 VanDerWaalsContact O-N 3.1Å; E135-G137 VanDerWaalsContact C-N 3.27Å; E135-G137 PolarHBondContact O-N 3.27Å |
| 138 | I | 87.9 | Confident | 92.1 | Very high | 23 Ų | 23 | 25.7 Ų | 25.7 | 12% | 0.118 | 12% | 0.123 | C | C | . | . | trans | -99.6 | 129.6 | -179.7 | -63.9 | 168.7 | 0 | 0 | 0 | 109.4 | L71 L74 L133 H134 Y136 S165 | L71-I138 HydrophobicContact CD2-CD1 3.74Å; L74-I138 HydrophobicContact CD1-CD1 3.52Å; L74-I138 HydrophobicContact CD2-CD1 4.11Å; L74-I138 HydrophobicContact CG-CD1 4.35Å; L133-I138 CarbonylContact C-O 3.55Å; L133-I138 VanDerWaalsContact C-O 3.3Å; L133-I138 HydrophobicContact CB-CB 4.23Å; L133-I138 HydrophobicContact CB-CG2 4.37Å; L133-I138 HydrophobicContact CD2-CB 4.3Å; L133-I138 HydrophobicContact CD2-CD1 4.41Å; L133-I138 HydrophobicContact CD2-CG2 4.03Å; L133-I138 WeakPolarHBondContact O-CB 3.27Å; L133-I138 PolarHBondContact O-N 3.03Å; H134-I138 PolarHBondContact CD2-O 3.09Å; H134-I138 VanDerWaalsContact CD2-O 3.29Å; Y136-I138 VanDerWaalsContact C-N 3.27Å; Y136-I138 PolarHBondContact O-N 2.92Å; I138-S165 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 139 | I | 89.5 | Confident | 92 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 8% | 0.082 | 13% | 0.125 | C | C | . | . | trans | -102 | 130.5 | 170.6 | -47.8 | 174.1 | 0 | 0 | 0 | 107.3 | R141 Y196 K198 I200 D201 | I139-R141 HydrophobicContact CB-CG 4.05Å; I139-R141 HydrophobicContact CG2-CG 3.72Å; I139-Y196 HydrophobicContact CD1-CD2 4.45Å; I139-Y196 HydrophobicContact CD1-CE2 4.35Å; I139-K198 HydrophobicContact CD1-CB 4.48Å; I139-K198 HydrophobicContact CG1-CB 4.03Å; I139-I200 HydrophobicContact CG2-CD1 3.78Å; I139-I200 HydrophobicContact CG2-CG1 3.68Å; I139-D201 WeakPolarHBondContact CG2-OD2 3.31Å | ||
| 140 | H | 90.6 | Very high | 92 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -70.5 | -47.2 | -177.9 | -175.4 | -44.4 | 0 | 0 | 0 | 112.1 | I130 L133 N142 L143 I161 T162 D163 D201 | I130-H140 HydrophobicContact CD1-CB 4.13Å; L133-H140 HydrophobicContact CD1-CB 4.22Å; H140-N142 VanDerWaalsContact CE1-C 3.5Å; H140-N142 PolarHBondContact CE1-O 3.32Å; H140-N142 VanDerWaalsContact CE1-O 3.28Å; H140-N142 PolarHBondContact ND1-N 3.09Å; H140-N142 VanDerWaalsContact ND1-N 3.19Å; H140-N142 PolarHBondContact O-N 2.97Å; H140-N142 VanDerWaalsContact O-N 3.15Å; H140-L143 HydrophobicContact CB-CG 4.23Å; H140-I161 VanDerWaalsContact CD2-CG2 3.41Å; H140-I161 WeakPolarHBondContact CD2-CG2 3.46Å; H140-I161 VanDerWaalsContact NE2-CG2 3.28Å; H140-I161 WeakPolarHBondContact NE2-CG2 3.5Å; H140-T162 PolarHBondContact CE1-O 3.49Å; H140-T162 PolarHBondContact NE2-O 3.44Å; H140-D163 PolarHBondContact CE1-O 3.34Å; H140-D201 WeakPolarHBondContact CB-OD1 3.1Å; H140-D201 PolarHBondContact N-OD1 3.2Å; H140-D201 PolarHBondContact N-OD2 3.17Å | ||
| 141 | R | 87.4 | Confident | 92 | Very high | 48 Ų | 48 | 27.2 Ų | 27.2 | 18% | 0.181 | 13% | 0.133 | C | C | . | . | trans | 64.6 | 7.1 | 176.5 | -47.7 | -178.8 | 178.4 | -168.2 | -3.5 | 117 | I139 L174 D175 L178 Y196 I200 D201 | I139-R141 HydrophobicContact CB-CG 4.05Å; I139-R141 HydrophobicContact CG2-CG 3.72Å; R141-L174 HydrophobicContact CB-CD2 4.06Å; R141-D175 IonicContact NH1-OD1 2.98Å; R141-D175 PolarHBondContact NH1-OD1 2.98Å; R141-L178 HydrophobicContact CB-CD2 4.42Å; R141-L178 WeakPolarHBondContact O-CD1 3.34Å; R141-L178 WeakPolarHBondContact O-CD2 3.09Å; R141-Y196 PolarHBondContact NE-OH 3.37Å; R141-Y196 PolarHBondContact NH1-OH 3.03Å; R141-Y196 PolarHBondContact NH2-OH 3.14Å; R141-I200 HydrophobicContact CB-CD1 4.36Å; R141-I200 HydrophobicContact CG-CD1 3.97Å; R141-D201 PolarHBondContact N-OD1 3.28Å | ||
| 142 | N | 85.2 | Confident | 91.9 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 11% | 0.107 | 13% | 0.133 | C | C | . | . | trans | -151.8 | 40.3 | -176.5 | -166.3 | 17.3 | 0 | 0 | 0 | 109.9 | H140 K144 N147 | H140-N142 VanDerWaalsContact CE1-C 3.5Å; H140-N142 PolarHBondContact CE1-O 3.32Å; H140-N142 VanDerWaalsContact CE1-O 3.28Å; H140-N142 PolarHBondContact ND1-N 3.09Å; H140-N142 VanDerWaalsContact ND1-N 3.19Å; H140-N142 PolarHBondContact O-N 2.97Å; H140-N142 VanDerWaalsContact O-N 3.15Å; N142-K144 PolarHBondContact O-N 2.88Å; N142-K144 VanDerWaalsContact OD1-CE 3.26Å; N142-K144 WeakPolarHBondContact OD1-CE 3.01Å; N142-K144 PolarHBondContact OD1-NZ 3.46Å; N142-N147 PolarHBondContact ND2-ND2 3.28Å; N142-N147 PolarHBondContact O-ND2 3.06Å | ||
| 143 | L | 92.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | trans | -75.8 | 117.8 | 177.5 | -84.1 | 176.1 | 0 | 0 | 0 | 109.5 | I130 H140 I148 I161 D201 S204 L205 L208 | I130-L143 HydrophobicContact CD1-CD1 3.73Å; I130-L143 HydrophobicContact CD1-CD2 4.02Å; I130-L143 HydrophobicContact CD1-CG 4.2Å; I130-L143 HydrophobicContact CG1-CD1 3.89Å; H140-L143 HydrophobicContact CB-CG 4.23Å; L143-I148 HydrophobicContact CD2-CD1 3.89Å; L143-I161 HydrophobicContact CD2-CG2 4.18Å; L143-D201 HydrophobicContact CD1-CB 3.81Å; L143-D201 WeakPolarHBondContact CD1-O 3.44Å; L143-S204 VanDerWaalsContact CB-CB 3.48Å; L143-L205 HydrophobicContact CD1-CD2 4.26Å; L143-L205 HydrophobicContact CD1-CG 4.02Å; L143-L208 HydrophobicContact CB-CD1 4.23Å | ||
| 144 | K | 90.5 | Very high | 91.8 | Very high | 28 Ų | 28 | 38 Ų | 38 | 12% | 0.122 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -161.8 | 162 | -178.3 | 57.8 | -178 | -175.6 | -171.8 | 0 | 109.8 | N142 E146 N147 T182 F185 | N142-K144 PolarHBondContact O-N 2.88Å; N142-K144 VanDerWaalsContact OD1-CE 3.26Å; N142-K144 WeakPolarHBondContact OD1-CE 3.01Å; N142-K144 PolarHBondContact OD1-NZ 3.46Å; K144-E146 WeakPolarHBondContact CB-OE2 3.34Å; K144-E146 VanDerWaalsContact CD-OE2 3.26Å; K144-E146 WeakPolarHBondContact CD-OE2 3.24Å; K144-E146 WeakPolarHBondContact CG-OE2 3.42Å; K144-E146 PolarHBondContact O-N 3.4Å; K144-N147 HydrophobicContact CG-CB 4.37Å; K144-N147 PolarHBondContact O-N 3.4Å; K144-T182 HydrophobicContact CD-CG2 3.65Å; K144-F185 HydrophobicContact CB-CD2 4.01Å; K144-F185 HydrophobicContact CB-CE2 4.1Å; K144-F185 HydrophobicContact CB-CG 4.27Å; K144-F185 HydrophobicContact CB-CZ 4.44Å |
| 145 | P | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -49.8 | -36.9 | -173.7 | -32.9 | 39.5 | 0 | 0 | 0 | 115.2 | F105 N147 I148 F185 L208 F297 | F105-P145 HydrophobicContact CB-CB 4.25Å; F105-P145 HydrophobicContact CD1-CB 4.18Å; F105-P145 HydrophobicContact CD1-CG 4.15Å; F105-P145 HydrophobicContact CD2-CB 3.59Å; F105-P145 HydrophobicContact CD2-CG 4.13Å; F105-P145 HydrophobicContact CE1-CG 4.11Å; F105-P145 HydrophobicContact CE2-CB 3.98Å; F105-P145 HydrophobicContact CE2-CG 4.09Å; F105-P145 HydrophobicContact CG-CB 3.73Å; F105-P145 HydrophobicContact CG-CG 4.19Å; F105-P145 HydrophobicContact CZ-CB 4.44Å; F105-P145 HydrophobicContact CZ-CG 4.09Å; P145-N147 PolarHBondContact O-N 3.34Å; P145-I148 PolarHBondContact O-N 3Å; P145-F185 HydrophobicContact CG-CE1 4.36Å; P145-F185 HydrophobicContact CG-CZ 3.96Å; P145-L208 HydrophobicContact CG-CD2 3.93Å; P145-F297 HydrophobicContact CG-CE1 4.03Å; P145-F297 HydrophobicContact CG-CZ 4.07Å |
| 146 | E | 87.6 | Confident | 91.5 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -71.1 | -19.8 | -177.1 | -56.9 | 74.6 | -167.6 | 0 | 0 | 113.4 | K144 R301 Y305 | K144-E146 WeakPolarHBondContact CB-OE2 3.34Å; K144-E146 VanDerWaalsContact CD-OE2 3.26Å; K144-E146 WeakPolarHBondContact CD-OE2 3.24Å; K144-E146 WeakPolarHBondContact CG-OE2 3.42Å; K144-E146 PolarHBondContact O-N 3.4Å; E146-R301 VanDerWaalsContact CD-NH1 3.26Å; E146-R301 WeakPolarHBondContact OE1-CD 3.29Å; E146-R301 WeakPolarHBondContact OE1-CG 3.41Å; E146-R301 IonicContact OE1-CZ 3.72Å; E146-R301 IonicContact OE1-NE 2.8Å; E146-R301 IonicContact OE1-NH1 3.16Å; E146-R301 PolarHBondContact OE1-NH1 2.87Å; E146-Y305 HydrophobicContact CG-CE2 3.99Å; E146-Y305 WeakPolarHBondContact CG-OH 3.31Å; E146-Y305 WeakPolarHBondContact OE1-CE2 3.39Å; E146-Y305 VanDerWaalsContact OE1-CZ 3.23Å; E146-Y305 PolarHBondContact OE1-OH 3.15Å; E146-Y305 PolarHBondContact OE2-OH 3.44Å |
| 147 | N | 92 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -98 | 5 | 179.1 | -70.7 | -15.6 | 0 | 0 | 0 | 112 | K17 N142 K144 P145 I161 T162 | K17-N147 PolarHBondContact NZ-OD1 3.42Å; N142-N147 PolarHBondContact ND2-ND2 3.28Å; N142-N147 PolarHBondContact O-ND2 3.06Å; K144-N147 HydrophobicContact CG-CB 4.37Å; K144-N147 PolarHBondContact O-N 3.4Å; P145-N147 PolarHBondContact O-N 3.34Å; N147-I161 WeakPolarHBondContact O-CA 3.27Å; N147-T162 HydrophobicContact CB-CG2 4.15Å; N147-T162 PolarHBondContact O-N 3.31Å |
| 148 | I | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 93.4 | 176 | -47.3 | -58.9 | 0 | 0 | 0 | 109.1 | L104 M126 L143 P145 V159 I161 | L104-I148 HydrophobicContact CB-CB 4.39Å; L104-I148 HydrophobicContact CB-CG2 3.77Å; L104-I148 HydrophobicContact CD2-CG2 3.63Å; L104-I148 HydrophobicContact CG-CG2 4.35Å; L104-I148 PolarHBondContact N-O 3.32Å; M126-I148 HydrophobicContact CE-CD1 4.05Å; M126-I148 HydrophobicContact CE-CG1 4.08Å; M126-I148 HydrophobicContact CE-CG2 4.46Å; M126-I148 HydrophobicContact CG-CG2 4.12Å; M126-I148 HydrophobicContact SD-CG2 4.06Å; L143-I148 HydrophobicContact CD2-CD1 3.89Å; P145-I148 PolarHBondContact O-N 3Å; I148-V159 HydrophobicContact CG2-CG1 3.65Å; I148-I161 HydrophobicContact CD1-CG1 4.08Å; I148-I161 HydrophobicContact CD1-CG2 4.36Å |
| 149 | L | 96.2 | Very high | 92.8 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 20% | 0.204 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 169.7 | -179.2 | -55.1 | -177.1 | 0 | 0 | 0 | 111.1 | A99 E103 V159 K160 T162 | A99-L149 HydrophobicContact CB-CB 4.17Å; A99-L149 HydrophobicContact CB-CD1 4.17Å; E103-L149 HydrophobicContact CG-CD2 3.95Å; L149-V159 CarbonylContact O-C 3.51Å; L149-V159 WeakPolarHBondContact O-CA 3.31Å; L149-K160 HydrophobicContact CB-CB 4.43Å; L149-K160 PolarHBondContact N-O 2.96Å; L149-K160 PolarHBondContact O-N 3.37Å; L149-T162 HydrophobicContact CD1-CG2 4.12Å; L149-T162 HydrophobicContact CG-CG2 4.25Å |
| 150 | L | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 147 | 167.1 | -69.2 | 173.8 | 0 | 0 | 0 | 110.9 | G101 E102 L104 R107 Y122 T152 A157 I158 | G101-L150 WeakPolarHBondContact CA-O 3.47Å; G101-L150 PolarHBondContact N-O 2.98Å; E102-L150 PolarHBondContact O-N 3.35Å; L104-L150 HydrophobicContact CD1-CD2 4.09Å; R107-L150 HydrophobicContact CB-CD1 3.45Å; R107-L150 VanDerWaalsContact CB-CD1 3.45Å; R107-L150 HydrophobicContact CG-CD1 3.56Å; R107-L150 VanDerWaalsContact CZ-CD1 3.47Å; Y122-L150 HydrophobicContact CD1-CD2 4.24Å; Y122-L150 HydrophobicContact CE1-CD2 3.75Å; L150-T152 VanDerWaalsContact C-N 3.35Å; L150-T152 PolarHBondContact O-N 3.13Å; L150-A157 HydrophobicContact CB-CB 4.05Å; L150-A157 HydrophobicContact CD2-CB 4.36Å; L150-I158 CarbonylContact C-O 3.54Å; L150-I158 WeakPolarHBondContact CA-O 3.44Å |
| 151 | S | 96.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -62.2 | -40.3 | 179.6 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | N100 I158 | N100-S151 PolarHBondContact N-O 3.34Å; S151-I158 PolarHBondContact N-O 3.13Å; S151-I158 WeakPolarHBondContact OG-CG1 3.27Å; S151-I158 PolarHBondContact OG-N 3.24Å; S151-I158 VanDerWaalsContact OG-N 3.07Å |
| 152 | T | 95.8 | Very high | 93.8 | Very high | 41 Ų | 41 | 37 Ų | 37 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | trans | -140.7 | 177.6 | -179.2 | 76.6 | 0 | 0 | 0 | 0 | 111.7 | G101 R107 L150 D154 A157 | G101-T152 VanDerWaalsContact CA-O 3.26Å; G101-T152 WeakPolarHBondContact CA-O 3.47Å; R107-T152 PolarHBondContact NH2-O 3.44Å; L150-T152 VanDerWaalsContact C-N 3.35Å; L150-T152 PolarHBondContact O-N 3.13Å; T152-D154 VanDerWaalsContact C-N 3.3Å; T152-D154 VanDerWaalsContact CB-OD2 3.31Å; T152-D154 WeakPolarHBondContact CB-OD2 3.35Å; T152-D154 WeakPolarHBondContact OG1-CB 3.18Å; T152-D154 PolarHBondContact OG1-N 3.2Å; T152-D154 PolarHBondContact OG1-OD2 3.27Å; T152-A157 VanDerWaalsContact O-CB 3.25Å; T152-A157 WeakPolarHBondContact O-CB 3.31Å | ||
| 153 | R | 93 | Very high | 93.8 | Very high | 187 Ų | 187 | 37.3 Ų | 37.3 | 71% | 0.706 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -86.1 | -4.4 | 174 | -60.6 | -170.5 | 179.5 | -150.2 | -1 | 113.2 | N100 R107 | N100-R153 WeakPolarHBondContact O-CG 3.32Å; R107-R153 PolarHBondContact NH2-O 3.42Å |
| 154 | D | 94 | Very high | 93.4 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -76.4 | 167.1 | -175.2 | -50.2 | -55.6 | 0 | 0 | 0 | 111.3 | R107 T152 D156 A157 | R107-D154 PolarHBondContact NH1-O 3.39Å; T152-D154 VanDerWaalsContact C-N 3.3Å; T152-D154 VanDerWaalsContact CB-OD2 3.31Å; T152-D154 WeakPolarHBondContact CB-OD2 3.35Å; T152-D154 WeakPolarHBondContact OG1-CB 3.18Å; T152-D154 PolarHBondContact OG1-N 3.2Å; T152-D154 PolarHBondContact OG1-OD2 3.27Å; D154-D156 VanDerWaalsContact C-N 3.28Å; D154-D156 VanDerWaalsContact CB-OD1 3.24Å; D154-D156 WeakPolarHBondContact CB-OD1 2.99Å; D154-D156 PolarHBondContact O-N 3.05Å; D154-A157 WeakPolarHBondContact O-CB 3.37Å; D154-A157 PolarHBondContact O-N 3.25Å |
| 155 | S | 88.6 | Confident | 92.4 | Very high | 110 Ų | 110 | 37 Ų | 37 | 77% | 0.769 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -25.7 | -179 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | A157 | S155-A157 VanDerWaalsContact C-N 3.35Š|
| 156 | D | 91.9 | Very high | 91.1 | Very high | 127 Ų | 127 | 37.4 Ų | 37.4 | 68% | 0.679 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 12.1 | 179.6 | 64.8 | -28.7 | 0 | 0 | 0 | 113.1 | D154 I158 | D154-D156 VanDerWaalsContact C-N 3.28Å; D154-D156 VanDerWaalsContact CB-OD1 3.24Å; D154-D156 WeakPolarHBondContact CB-OD1 2.99Å; D154-D156 PolarHBondContact O-N 3.05Å; D156-I158 PolarHBondContact O-N 2.93Å |
| 157 | A | 96.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 135.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L150 T152 D154 S155 | L150-A157 HydrophobicContact CB-CB 4.05Å; L150-A157 HydrophobicContact CD2-CB 4.36Å; T152-A157 VanDerWaalsContact O-CB 3.25Å; T152-A157 WeakPolarHBondContact O-CB 3.31Å; D154-A157 WeakPolarHBondContact O-CB 3.37Å; D154-A157 PolarHBondContact O-N 3.25Å; S155-A157 VanDerWaalsContact C-N 3.35Å |
| 158 | I | 97.7 | Very high | 88.9 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -95.6 | 155.7 | 178.8 | 62.6 | 168 | 0 | 0 | 0 | 111.1 | Q77 Q125 L150 S151 D156 | Q77-I158 HydrophobicContact CB-CD1 4.07Å; Q77-I158 WeakPolarHBondContact O-CD1 3.45Å; Q125-I158 VanDerWaalsContact OE1-CA 3.3Å; Q125-I158 VanDerWaalsContact OE1-CB 3.27Å; L150-I158 CarbonylContact C-O 3.54Å; L150-I158 WeakPolarHBondContact CA-O 3.44Å; S151-I158 PolarHBondContact N-O 3.13Å; S151-I158 WeakPolarHBondContact OG-CG1 3.27Å; S151-I158 PolarHBondContact OG-N 3.24Å; S151-I158 VanDerWaalsContact OG-N 3.07Å; D156-I158 PolarHBondContact O-N 2.93Å |
| 159 | V | 98.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 138.6 | 174.5 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | N78 L104 Y122 Q125 M126 I148 L149 I161 | N78-V159 VanDerWaalsContact CA-O 3.22Å; N78-V159 WeakPolarHBondContact CA-O 3.46Å; N78-V159 PolarHBondContact ND2-O 3.2Å; N78-V159 VanDerWaalsContact ND2-O 3.09Å; L104-V159 HydrophobicContact CD2-CG2 4.24Å; Y122-V159 HydrophobicContact CD1-CG2 3.67Å; Y122-V159 HydrophobicContact CG-CG2 4.43Å; Q125-V159 HydrophobicContact CB-CB 3.85Å; Q125-V159 HydrophobicContact CB-CG2 3.78Å; M126-V159 HydrophobicContact CG-CG1 3.87Å; M126-V159 HydrophobicContact CG-CG2 4.43Å; I148-V159 HydrophobicContact CG2-CG1 3.65Å; L149-V159 CarbonylContact O-C 3.51Å; L149-V159 WeakPolarHBondContact O-CA 3.31Å; V159-I161 HydrophobicContact CG1-CG1 4.23Å |
| 160 | K | 98 | Very high | 85.9 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 104.6 | 173 | -75.6 | -74.5 | 179.3 | 173.1 | 0 | 109.5 | Q77 L79 V80 E97 A99 L149 | Q77-K160 WeakPolarHBondContact O-CD 3.49Å; Q77-K160 WeakPolarHBondContact O-CE 3.45Å; Q77-K160 PolarHBondContact O-NZ 2.97Å; Q77-K160 VanDerWaalsContact O-NZ 3.08Å; L79-K160 WeakPolarHBondContact O-CD 3.1Å; L79-K160 PolarHBondContact O-NZ 3.42Å; L79-K160 VanDerWaalsContact O-NZ 3.16Å; V80-K160 HydrophobicContact CG2-CB 3.83Å; V80-K160 HydrophobicContact CG2-CD 4.41Å; E97-K160 WeakPolarHBondContact OE1-CE 2.94Å; E97-K160 IonicContact OE1-NZ 2.8Å; E97-K160 PolarHBondContact OE1-NZ 3.22Å; E97-K160 IonicContact OE2-NZ 2.92Å; E97-K160 PolarHBondContact OE2-NZ 3Å; A99-K160 HydrophobicContact CB-CB 4.11Å; A99-K160 HydrophobicContact CB-CG 4.27Å; L149-K160 HydrophobicContact CB-CB 4.43Å; L149-K160 PolarHBondContact N-O 2.96Å; L149-K160 PolarHBondContact O-N 3.37Å |
| 161 | I | 97.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.1 | 174.6 | -54.1 | 172.8 | 0 | 0 | 0 | 108.8 | N78 L79 V80 M126 I130 H140 L143 N147 I148 V159 | N78-I161 WeakPolarHBondContact O-CB 3.2Å; N78-I161 WeakPolarHBondContact O-CG1 3.14Å; N78-I161 PolarHBondContact O-N 3.31Å; L79-I161 HydrophobicContact CD2-CB 3.85Å; L79-I161 HydrophobicContact CD2-CD1 4.16Å; L79-I161 HydrophobicContact CD2-CG1 4.44Å; L79-I161 HydrophobicContact CD2-CG2 4.42Å; V80-I161 PolarHBondContact N-O 3.04Å; M126-I161 WeakPolarHBondContact O-CD1 3.5Å; I130-I161 HydrophobicContact CD1-CD1 4Å; I130-I161 HydrophobicContact CG1-CD1 4.04Å; H140-I161 VanDerWaalsContact CD2-CG2 3.41Å; H140-I161 WeakPolarHBondContact CD2-CG2 3.46Å; H140-I161 VanDerWaalsContact NE2-CG2 3.28Å; H140-I161 WeakPolarHBondContact NE2-CG2 3.5Å; L143-I161 HydrophobicContact CD2-CG2 4.18Å; N147-I161 WeakPolarHBondContact O-CA 3.27Å; I148-I161 HydrophobicContact CD1-CG1 4.08Å; I148-I161 HydrophobicContact CD1-CG2 4.36Å; V159-I161 HydrophobicContact CG1-CG1 4.23Å |
| 162 | T | 92.6 | Very high | 82 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 14% | 0.135 | 24% | 0.244 | C | C | . | . | trans | -117.6 | 172.5 | -178.6 | -169 | 0 | 0 | 0 | 0 | 111.5 | H140 N147 L149 Y164 | H140-T162 PolarHBondContact CE1-O 3.49Å; H140-T162 PolarHBondContact NE2-O 3.44Å; N147-T162 HydrophobicContact CB-CG2 4.15Å; N147-T162 PolarHBondContact O-N 3.31Å; L149-T162 HydrophobicContact CD1-CG2 4.12Å; L149-T162 HydrophobicContact CG-CG2 4.25Å; T162-Y164 PolarHBondContact O-N 2.84Å | ||
| 163 | D | 85.3 | Confident | 80.6 | Confident | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.139 | 24% | 0.24 | C | C | . | . | trans | 57.5 | 32.8 | 174.8 | -81.1 | -6 | 0 | 0 | 0 | 114.6 | K17 K43 H140 P166 | K17-D163 IonicContact NZ-OD2 3.9Å; K17-D163 PolarHBondContact NZ-OD2 3.29Å; K43-D163 IonicContact NZ-OD1 3.29Å; K43-D163 PolarHBondContact NZ-OD1 2.98Å; K43-D163 IonicContact NZ-OD2 3.75Å; K43-D163 PolarHBondContact NZ-OD2 2.98Å; H140-D163 PolarHBondContact CE1-O 3.34Å; D163-P166 WeakPolarHBondContact O-CD 3.35Å | ||
| 164 | Y | 83.8 | Confident | 79.4 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 8% | 0.078 | 21% | 0.209 | C | C | . | . | trans | -76.2 | 146.8 | 166.1 | 58.2 | -95.3 | 0 | 0 | 0 | 110.7 | L74 L79 V80 L133 T162 P166 | L74-Y164 HydrophobicContact CD1-CD2 4.44Å; L74-Y164 HydrophobicContact CD1-CE2 3.77Å; L79-Y164 HydrophobicContact CB-CE1 4.02Å; L79-Y164 HydrophobicContact CD2-CD1 4.43Å; V80-Y164 VanDerWaalsContact O-CE1 3.29Å; V80-Y164 WeakPolarHBondContact O-CE1 3.47Å; V80-Y164 PolarHBondContact O-OH 3.08Å; L133-Y164 HydrophobicContact CD1-CG 4.22Å; L133-Y164 HydrophobicContact CD2-CD2 4.06Å; L133-Y164 HydrophobicContact CD2-CE2 4.48Å; L133-Y164 HydrophobicContact CD2-CG 4.21Å; T162-Y164 PolarHBondContact O-N 2.84Å; Y164-P166 VanDerWaalsContact C-CD 3.47Å | ||
| 165 | S | 68.7 | Low | 78.2 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | trans | 61 | 37 | -178.9 | -53.2 | 0 | 0 | 0 | 0 | 117.6 | I138 Q167 L168 | I138-S165 WeakPolarHBondContact CG2-OG 3.38Å; S165-Q167 PolarHBondContact O-N 2.86Å; S165-Q167 VanDerWaalsContact O-N 3.11Å; S165-L168 PolarHBondContact O-N 3.37Å; S165-L168 VanDerWaalsContact O-N 3.1Å | ||
| 166 | P | 65.8 | Low | 77.2 | Confident | 10 Ų | 10 | 29 Ų | 29 | 7% | 0.065 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -62 | -24.3 | -178.2 | 24.8 | -29.4 | 0 | 0 | 0 | 112.9 | D163 Y164 L168 F169 T170 L174 | D163-P166 WeakPolarHBondContact O-CD 3.35Å; Y164-P166 VanDerWaalsContact C-CD 3.47Å; P166-L168 PolarHBondContact O-N 3.42Å; P166-L168 VanDerWaalsContact O-N 3.09Å; P166-F169 PolarHBondContact O-N 3.41Å; P166-T170 WeakPolarHBondContact O-CG2 3.47Å; P166-T170 PolarHBondContact O-N 2.96Å; P166-L174 HydrophobicContact CB-CD1 4.27Å; P166-L174 HydrophobicContact CG-CD1 3.81Å; P166-L174 HydrophobicContact CG-CD2 3.65Å; P166-L174 HydrophobicContact CG-CG 4.38Å |
| 167 | Q | 67.1 | Low | 76 | Confident | 55 Ų | 55 | 24 Ų | 24 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -56.7 | -21.4 | 174.6 | 68.8 | -83.9 | 20.7 | 0 | 0 | 114.2 | S165 F169 L174 | S165-Q167 PolarHBondContact O-N 2.86Å; S165-Q167 VanDerWaalsContact O-N 3.11Å; Q167-F169 VanDerWaalsContact C-N 3.31Å; Q167-L174 HydrophobicContact CB-CD2 3.96Å |
| 168 | L | 65.9 | Low | 74.6 | Confident | 47 Ų | 47 | 24.4 Ų | 24.4 | 25% | 0.246 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -78.8 | -17.2 | 177.7 | -69.3 | 178.5 | 0 | 0 | 0 | 113.1 | D67 L71 S165 P166 | D67-L168 HydrophobicContact CB-CD1 4.28Å; D67-L168 HydrophobicContact CB-CD2 3.68Å; L71-L168 HydrophobicContact CD1-CD1 3.47Å; L71-L168 VanDerWaalsContact CD1-CD1 3.47Å; L71-L168 HydrophobicContact CD2-CD1 4.14Å; L71-L168 HydrophobicContact CG-CD1 3.79Å; S165-L168 PolarHBondContact O-N 3.37Å; S165-L168 VanDerWaalsContact O-N 3.1Å; P166-L168 PolarHBondContact O-N 3.42Å; P166-L168 VanDerWaalsContact O-N 3.09Å |
| 169 | F | 66.9 | Low | 73.2 | Confident | 16 Ų | 16 | 22 Ų | 22 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -10.6 | -175.7 | -53.4 | -72.8 | 0 | 0 | 0 | 113.7 | I45 I68 L71 V85 I94 P166 Q167 | I45-F169 HydrophobicContact CD1-CB 3.83Å; I68-F169 HydrophobicContact CD1-CE1 3.95Å; I68-F169 HydrophobicContact CG1-CE1 3.99Å; I68-F169 HydrophobicContact CG1-CZ 4.34Å; L71-F169 HydrophobicContact CD1-CE2 4.04Å; L71-F169 HydrophobicContact CD1-CZ 4Å; V85-F169 HydrophobicContact CG1-CE1 4.09Å; V85-F169 HydrophobicContact CG2-CE1 3.94Å; V85-F169 HydrophobicContact CG2-CZ 4.2Å; I94-F169 HydrophobicContact CD1-CB 3.83Å; I94-F169 HydrophobicContact CD1-CD1 3.66Å; I94-F169 HydrophobicContact CD1-CD2 3.56Å; I94-F169 HydrophobicContact CD1-CE1 4.07Å; I94-F169 HydrophobicContact CD1-CE2 3.97Å; I94-F169 HydrophobicContact CD1-CG 3.38Å; I94-F169 HydrophobicContact CD1-CZ 4.2Å; I94-F169 HydrophobicContact CG1-CD1 4.05Å; I94-F169 HydrophobicContact CG1-CE1 4.15Å; I94-F169 HydrophobicContact CG1-CG 4.28Å; I94-F169 HydrophobicContact CG1-CZ 4.46Å; I94-F169 HydrophobicContact CG2-CZ 4.46Å; P166-F169 PolarHBondContact O-N 3.41Å; Q167-F169 VanDerWaalsContact C-N 3.31Å |
| 170 | T | 62 | Low | 71.5 | Confident | 22 Ų | 22 | 22.9 Ų | 22.9 | 14% | 0.135 | 13% | 0.128 | C | C | . | . | trans | -108.7 | 144.7 | 177.6 | -171 | 0 | 0 | 0 | 0 | 111.5 | P166 A172 | P166-T170 WeakPolarHBondContact O-CG2 3.47Å; P166-T170 PolarHBondContact O-N 2.96Å; T170-A172 VanDerWaalsContact C-N 3.35Å; T170-A172 HydrophobicContact CG2-CB 4.47Å; T170-A172 VanDerWaalsContact OG1-CB 3.26Å; T170-A172 WeakPolarHBondContact OG1-CB 3.5Å; T170-A172 PolarHBondContact OG1-N 3.31Å | ||
| 171 | T | 53.9 | Low | 69.9 | Low | 69 Ų | 69 | 23.3 Ų | 23.3 | 42% | 0.423 | 13% | 0.131 | S | C | . | . | trans | -90 | -7.6 | 166.4 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | I57 | I57-T171 HydrophobicContact CG1-CG2 4.06Š| ||
| 172 | A | 58.2 | Low | 68.8 | Low | 38 Ų | 38 | 24.1 Ų | 24.1 | 31% | 0.314 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -68.5 | 151.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T170 L174 | T170-A172 VanDerWaalsContact C-N 3.35Å; T170-A172 HydrophobicContact CG2-CB 4.47Å; T170-A172 VanDerWaalsContact OG1-CB 3.26Å; T170-A172 WeakPolarHBondContact OG1-CB 3.5Å; T170-A172 PolarHBondContact OG1-N 3.31Å; A172-L174 VanDerWaalsContact C-N 3.28Å; A172-L174 PolarHBondContact O-N 2.86Å |
| 173 | D | 67.9 | Low | 68.3 | Low | 34 Ų | 34 | 23.4 Ų | 23.4 | 18% | 0.182 | 13% | 0.132 | C | C | . | . | trans | -72.2 | 88.6 | 169.9 | -157.1 | -34.8 | 0 | 0 | 0 | 108 | D175 L176 E177 R194 R324 | D173-D175 PolarHBondContact O-N 3.32Å; D173-D175 VanDerWaalsContact O-N 3.13Å; D173-L176 HydrophobicContact CB-CB 3.97Å; D173-L176 WeakPolarHBondContact O-CB 3.22Å; D173-L176 PolarHBondContact O-N 2.67Å; D173-E177 PolarHBondContact O-N 3.12Å; D173-R194 IonicContact OD1-NH1 3.32Å; D173-R194 IonicContact OD2-CZ 3.45Å; D173-R194 VanDerWaalsContact OD2-CZ 3.29Å; D173-R194 IonicContact OD2-NH1 3.07Å; D173-R194 PolarHBondContact OD2-NH1 3.29Å; D173-R194 IonicContact OD2-NH2 3.34Å; D173-R194 PolarHBondContact OD2-NH2 3.36Å; D173-R194 VanDerWaalsContact OD2-NH2 3.11Å; D173-R324 IonicContact OD2-CZ 3.8Å; D173-R324 IonicContact OD2-NE 2.67Å; D173-R324 IonicContact OD2-NH2 2.84Å; D173-R324 PolarHBondContact OD2-NH2 2.78Å | ||
| 174 | L | 67.1 | Low | 68.4 | Low | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.052 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.8 | -32.8 | -175.7 | -179.2 | 72 | 0 | 0 | 0 | 111.5 | R141 P166 Q167 A172 L176 E177 L178 | R141-L174 HydrophobicContact CB-CD2 4.06Å; P166-L174 HydrophobicContact CB-CD1 4.27Å; P166-L174 HydrophobicContact CG-CD1 3.81Å; P166-L174 HydrophobicContact CG-CD2 3.65Å; P166-L174 HydrophobicContact CG-CG 4.38Å; Q167-L174 HydrophobicContact CB-CD2 3.96Å; A172-L174 VanDerWaalsContact C-N 3.28Å; A172-L174 PolarHBondContact O-N 2.86Å; L174-L176 VanDerWaalsContact C-N 3.35Å; L174-E177 WeakPolarHBondContact O-CB 3.26Å; L174-E177 PolarHBondContact O-N 2.94Å; L174-L178 VanDerWaalsContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.22Å; L174-L178 PolarHBondContact O-N 3.47Å |
| 175 | D | 68.8 | Low | 68.7 | Low | 18 Ų | 18 | 23.2 Ų | 23.2 | 10% | 0.096 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.5 | -38.9 | -178 | -52.3 | -15.6 | 0 | 0 | 0 | 110 | R141 D173 L178 V179 L190 Y196 Y319 | R141-D175 IonicContact NH1-OD1 2.98Å; R141-D175 PolarHBondContact NH1-OD1 2.98Å; D173-D175 PolarHBondContact O-N 3.32Å; D173-D175 VanDerWaalsContact O-N 3.13Å; D175-L178 PolarHBondContact O-N 3.07Å; D175-V179 WeakPolarHBondContact O-CB 3.23Å; D175-V179 VanDerWaalsContact O-CG2 3.24Å; D175-V179 WeakPolarHBondContact O-CG2 3.3Å; D175-V179 PolarHBondContact O-N 3.3Å; D175-L190 HydrophobicContact CB-CD2 4.49Å; D175-Y196 PolarHBondContact OD1-OH 2.91Å; D175-Y196 VanDerWaalsContact OD2-CE1 3.27Å; D175-Y196 WeakPolarHBondContact OD2-CE1 3.32Å; D175-Y196 PolarHBondContact OD2-OH 2.84Å; D175-Y319 HydrophobicContact CB-CE1 4.02Å; D175-Y319 VanDerWaalsContact CB-OH 3.31Å; D175-Y319 WeakPolarHBondContact CB-OH 3.1Å |
| 176 | L | 68.3 | Low | 69.6 | Low | 28 Ų | 28 | 23.2 Ų | 23.2 | 15% | 0.147 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 170.8 | 178.7 | 67.4 | 0 | 0 | 0 | 111.2 | D173 L174 L178 V179 C180 I315 T316 Y319 V320 | D173-L176 HydrophobicContact CB-CB 3.97Å; D173-L176 WeakPolarHBondContact O-CB 3.22Å; D173-L176 PolarHBondContact O-N 2.67Å; L174-L176 VanDerWaalsContact C-N 3.35Å; L176-L178 VanDerWaalsContact C-N 3.32Å; L176-L178 PolarHBondContact O-N 3.34Å; L176-V179 PolarHBondContact O-N 3.37Å; L176-C180 WeakPolarHBondContact O-CB 3.46Å; L176-C180 PolarHBondContact O-N 3.32Å; L176-C180 PolarHBondContact O-SG 3.39Å; L176-C180 VanDerWaalsContact O-SG 3.36Å; L176-I315 HydrophobicContact CD1-CG2 4.4Å; L176-T316 HydrophobicContact CD1-CG2 4.42Å; L176-T316 HydrophobicContact CD2-CG2 3.85Å; L176-Y319 HydrophobicContact CB-CD1 3.8Å; L176-Y319 HydrophobicContact CB-CE1 4.06Å; L176-Y319 HydrophobicContact CD1-CD1 3.65Å; L176-Y319 HydrophobicContact CD1-CG 4.09Å; L176-Y319 HydrophobicContact CG-CD1 4.32Å; L176-V320 HydrophobicContact CD2-CG2 4.39Å |
| 177 | E | 65.8 | Low | 70.9 | Confident | 20 Ų | 20 | 22.7 Ų | 22.7 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 177.4 | -176.3 | -180 | 158.4 | 0 | 0 | 111.4 | Q20 P21 D173 L174 C180 L181 | Q20-E177 WeakPolarHBondContact CG-OE1 3.44Å; Q20-E177 PolarHBondContact NE2-OE1 3.24Å; Q20-E177 PolarHBondContact NE2-OE2 3.11Å; Q20-E177 VanDerWaalsContact NE2-OE2 3.12Å; P21-E177 HydrophobicContact CG-CG 4.47Å; D173-E177 PolarHBondContact O-N 3.12Å; L174-E177 WeakPolarHBondContact O-CB 3.26Å; L174-E177 PolarHBondContact O-N 2.94Å; E177-C180 PolarHBondContact O-N 3.21Å; E177-L181 HydrophobicContact CG-CD1 3.55Å; E177-L181 HydrophobicContact CG-CG 4.17Å; E177-L181 WeakPolarHBondContact O-CB 3.34Å; E177-L181 WeakPolarHBondContact O-CG 3.13Å; E177-L181 PolarHBondContact O-N 2.91Å |
| 178 | L | 67.5 | Low | 72 | Confident | 10 Ų | 10 | 20.2 Ų | 20.2 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.6 | -51.5 | 177.2 | -179.5 | 60.8 | 0 | 0 | 0 | 110.6 | R141 L174 D175 L176 C180 T182 C186 L190 | R141-L178 HydrophobicContact CB-CD2 4.42Å; R141-L178 WeakPolarHBondContact O-CD1 3.34Å; R141-L178 WeakPolarHBondContact O-CD2 3.09Å; L174-L178 VanDerWaalsContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.22Å; L174-L178 PolarHBondContact O-N 3.47Å; D175-L178 PolarHBondContact O-N 3.07Å; L176-L178 VanDerWaalsContact C-N 3.32Å; L176-L178 PolarHBondContact O-N 3.34Å; L178-C180 PolarHBondContact O-N 3.08Å; L178-T182 WeakPolarHBondContact CD1-OG1 3.36Å; L178-T182 CarbonylContact O-C 3.52Å; L178-T182 PolarHBondContact O-N 2.96Å; L178-T182 PolarHBondContact O-OG1 2.92Å; L178-C186 PolarHBondContact O-SG 2.94Å; L178-L190 HydrophobicContact CD2-CD1 3.49Å; L178-L190 VanDerWaalsContact CD2-CD1 3.49Å; L178-L190 HydrophobicContact CD2-CD2 4.35Å; L178-L190 HydrophobicContact CG-CD1 4.41Å |
| 179 | V | 67.3 | Low | 73.2 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 179.4 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | D175 L176 L190 L191 Y228 I315 Y319 | D175-V179 WeakPolarHBondContact O-CB 3.23Å; D175-V179 VanDerWaalsContact O-CG2 3.24Å; D175-V179 WeakPolarHBondContact O-CG2 3.3Å; D175-V179 PolarHBondContact O-N 3.3Å; L176-V179 PolarHBondContact O-N 3.37Å; V179-L190 HydrophobicContact CG2-CB 4.33Å; V179-L191 HydrophobicContact CB-CD2 4.4Å; V179-L191 HydrophobicContact CG1-CD2 3.61Å; V179-L191 HydrophobicContact CG2-CD2 4.01Å; V179-Y228 HydrophobicContact CG1-CE1 4.23Å; V179-Y228 PolarHBondContact O-OH 2.88Å; V179-I315 HydrophobicContact CG1-CG2 3.72Å; V179-Y319 HydrophobicContact CG2-CE2 4.23Å |
| 180 | C | 64 | Low | 74.1 | Confident | 18 Ų | 18 | 18 Ų | 18 | 12% | 0.122 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -81.4 | -33.9 | -176.1 | -71.7 | 0 | 0 | 0 | 0 | 113.7 | L176 E177 L178 Q312 | L176-C180 WeakPolarHBondContact O-CB 3.46Å; L176-C180 PolarHBondContact O-N 3.32Å; L176-C180 PolarHBondContact O-SG 3.39Å; L176-C180 VanDerWaalsContact O-SG 3.36Å; E177-C180 PolarHBondContact O-N 3.21Å; L178-C180 PolarHBondContact O-N 3.08Å; C180-Q312 HydrophobicContact CB-CG 4.17Å |
| 181 | L | 64.2 | Low | 75.1 | Confident | 24 Ų | 24 | 17.4 Ų | 17.4 | 13% | 0.126 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -105.9 | -20.6 | -169 | -58 | -172.2 | 0 | 0 | 0 | 114.3 | I19 E177 I308 Q312 | I19-L181 HydrophobicContact CG2-CD1 4.16Å; I19-L181 HydrophobicContact CG2-CD2 4.06Å; I19-L181 WeakPolarHBondContact O-CD1 3.3Å; E177-L181 HydrophobicContact CG-CD1 3.55Å; E177-L181 HydrophobicContact CG-CG 4.17Å; E177-L181 WeakPolarHBondContact O-CB 3.34Å; E177-L181 WeakPolarHBondContact O-CG 3.13Å; E177-L181 PolarHBondContact O-N 2.91Å; L181-I308 HydrophobicContact CD2-CG2 3.65Å; L181-Q312 VanDerWaalsContact CD2-NE2 3.27Å |
| 182 | T | 73.8 | Confident | 76.4 | Confident | 16 Ų | 16 | 16.4 Ų | 16.4 | 10% | 0.098 | 9% | 0.094 | C | C | . | . | trans | -139.5 | 34.5 | -170.6 | 40.1 | 0 | 0 | 0 | 0 | 111.4 | K144 L178 T184 F185 C186 | K144-T182 HydrophobicContact CD-CG2 3.65Å; L178-T182 WeakPolarHBondContact CD1-OG1 3.36Å; L178-T182 CarbonylContact O-C 3.52Å; L178-T182 PolarHBondContact O-N 2.96Å; L178-T182 PolarHBondContact O-OG1 2.92Å; T182-T184 PolarHBondContact O-N 3.16Å; T182-T184 VanDerWaalsContact O-N 3.09Å; T182-F185 PolarHBondContact O-N 3.24Å; T182-C186 PolarHBondContact O-SG 3.29Å | ||
| 183 | A | 81 | Confident | 77.3 | Confident | 8 Ų | 8 | 15.5 Ų | 15.5 | 7% | 0.066 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -47.2 | -42.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F185 C186 L227 Y228 I231 | A183-F185 PolarHBondContact O-N 3.31Å; A183-F185 VanDerWaalsContact O-N 3.09Å; A183-C186 VanDerWaalsContact O-CB 3.28Å; A183-C186 WeakPolarHBondContact O-CB 3.42Å; A183-C186 PolarHBondContact O-N 3.42Å; A183-L227 HydrophobicContact CB-CD2 3.7Å; A183-L227 HydrophobicContact CB-CG 4.39Å; A183-Y228 HydrophobicContact CB-CE1 3.87Å; A183-I231 HydrophobicContact CB-CD1 4.29Å; A183-I231 WeakPolarHBondContact O-CD1 3.48Å |
| 184 | T | 87.8 | Confident | 77.5 | Confident | 24 Ų | 24 | 14.4 Ų | 14.4 | 15% | 0.147 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -52.1 | -34.4 | 178.4 | -53.6 | 0 | 0 | 0 | 0 | 114 | T182 I207 D217 Y219 | T182-T184 PolarHBondContact O-N 3.16Å; T182-T184 VanDerWaalsContact O-N 3.09Å; T184-I207 HydrophobicContact CG2-CG2 4.22Å; T184-D217 VanDerWaalsContact CG2-OD1 3.31Å; T184-D217 WeakPolarHBondContact CG2-OD1 3.26Å; T184-Y219 HydrophobicContact CG2-CD2 4.09Å |
| 185 | F | 90.7 | Very high | 77.9 | Confident | 18 Ų | 18 | 16.6 Ų | 16.6 | 8% | 0.079 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -95.1 | -6 | -179.1 | -56.3 | -81.3 | 0 | 0 | 0 | 112.8 | K144 P145 T182 A183 S204 I207 L208 I211 | K144-F185 HydrophobicContact CB-CD2 4.01Å; K144-F185 HydrophobicContact CB-CE2 4.1Å; K144-F185 HydrophobicContact CB-CG 4.27Å; K144-F185 HydrophobicContact CB-CZ 4.44Å; P145-F185 HydrophobicContact CG-CE1 4.36Å; P145-F185 HydrophobicContact CG-CZ 3.96Å; T182-F185 PolarHBondContact O-N 3.24Å; A183-F185 PolarHBondContact O-N 3.31Å; A183-F185 VanDerWaalsContact O-N 3.09Å; F185-S204 PolarHBondContact O-OG 3.05Å; F185-S204 VanDerWaalsContact O-OG 3.05Å; F185-I207 HydrophobicContact CD1-CB 4.08Å; F185-I207 HydrophobicContact CD1-CG2 3.54Å; F185-I207 HydrophobicContact CE1-CG2 3.67Å; F185-I207 HydrophobicContact CG-CG2 4.43Å; F185-L208 HydrophobicContact CD1-CD2 4.31Å; F185-L208 HydrophobicContact CD1-CG 4.4Å; F185-L208 HydrophobicContact CE1-CD2 3.82Å; F185-L208 HydrophobicContact CE1-CG 4.32Å; F185-I211 HydrophobicContact CE1-CD1 3.91Å; F185-I211 HydrophobicContact CZ-CD1 4.18Å |
| 186 | C | 88.1 | Confident | 78.7 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | trans | -75.4 | 133.8 | -177.5 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | L178 T182 A183 W203 I231 | L178-C186 PolarHBondContact O-SG 2.94Å; T182-C186 PolarHBondContact O-SG 3.29Å; A183-C186 VanDerWaalsContact O-CB 3.28Å; A183-C186 WeakPolarHBondContact O-CB 3.42Å; A183-C186 PolarHBondContact O-N 3.42Å; C186-W203 PolarHBondContact O-NE1 3.17Å; C186-I231 WeakPolarHBondContact O-CG2 3.49Å | ||
| 187 | A | 92.2 | Very high | 79.7 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -68.8 | 148.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E189 L190 I200 W203 | A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 VanDerWaalsContact CB-CD 3.44Å; A187-E189 HydrophobicContact CB-CG 4.33Å; A187-E189 WeakPolarHBondContact CB-OE1 3.36Å; A187-E189 WeakPolarHBondContact CB-OE2 3.17Å; A187-E189 PolarHBondContact O-N 3.2Å; A187-L190 HydrophobicContact CB-CD1 4.36Å; A187-L190 WeakPolarHBondContact O-CB 3.2Å; A187-L190 PolarHBondContact O-N 2.84Å; A187-I200 HydrophobicContact CB-CB 3.95Å; A187-I200 HydrophobicContact CB-CG2 3.87Å; A187-W203 VanDerWaalsContact CA-CD1 3.48Å; A187-W203 HydrophobicContact CB-CB 3.7Å; A187-W203 HydrophobicContact CB-CD2 4.33Å; A187-W203 HydrophobicContact CB-CG 3.75Å | ||
| 188 | P | 91.5 | Very high | 81 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -34.4 | -176.7 | 23.9 | -34 | 0 | 0 | 0 | 112.8 | L190 L191 L192 W203 I231 L232 V260 | P188-L190 PolarHBondContact O-N 3.21Å; P188-L191 WeakPolarHBondContact O-CB 3.48Å; P188-L191 PolarHBondContact O-N 3.21Å; P188-L192 PolarHBondContact O-N 2.92Å; P188-W203 HydrophobicContact CG-CE3 4.21Å; P188-W203 HydrophobicContact CG-CH2 3.98Å; P188-W203 HydrophobicContact CG-CZ2 4.47Å; P188-W203 HydrophobicContact CG-CZ3 3.85Å; P188-I231 HydrophobicContact CB-CG2 4.35Å; P188-L232 HydrophobicContact CB-CD2 4.18Å; P188-V260 HydrophobicContact CB-CG1 4.49Å; P188-V260 HydrophobicContact CG-CG1 4.13Å |
| 189 | E | 89.6 | Confident | 82.4 | Confident | 16 Ų | 16 | 21.9 Ų | 21.9 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -27.5 | 177.2 | 64.1 | -88.7 | -155 | 0 | 0 | 113.4 | A187 L191 L192 S193 I200 R265 | A187-E189 VanDerWaalsContact C-N 3.26Å; A187-E189 VanDerWaalsContact CB-CD 3.44Å; A187-E189 HydrophobicContact CB-CG 4.33Å; A187-E189 WeakPolarHBondContact CB-OE1 3.36Å; A187-E189 WeakPolarHBondContact CB-OE2 3.17Å; A187-E189 PolarHBondContact O-N 3.2Å; E189-L191 PolarHBondContact O-N 3.1Å; E189-L192 PolarHBondContact O-N 2.86Å; E189-S193 PolarHBondContact O-N 3.48Å; E189-S193 VanDerWaalsContact O-O 3.12Å; E189-I200 HydrophobicContact CG-CG2 3.94Å; E189-I200 VanDerWaalsContact OE1-CG2 3.24Å; E189-I200 WeakPolarHBondContact OE1-CG2 3.25Å; E189-R265 IonicContact OE1-CZ 2.68Å; E189-R265 IonicContact OE1-NH1 3.59Å; E189-R265 PolarHBondContact OE1-NH1 3.37Å; E189-R265 IonicContact OE1-NH2 3.96Å; E189-R265 PolarHBondContact OE1-NH2 2.78Å; E189-R265 IonicContact OE2-CZ 2.66Å; E189-R265 IonicContact OE2-NH1 3.11Å; E189-R265 IonicContact OE2-NH2 3.79Å; E189-R265 PolarHBondContact OE2-NH2 2.96Å |
| 190 | L | 86 | Confident | 83.7 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.8 | -20.1 | 173.1 | -79.4 | 161.3 | 0 | 0 | 0 | 112.3 | D175 L178 V179 A187 P188 Y196 I200 Y319 | D175-L190 HydrophobicContact CB-CD2 4.49Å; L178-L190 HydrophobicContact CD2-CD1 3.49Å; L178-L190 VanDerWaalsContact CD2-CD1 3.49Å; L178-L190 HydrophobicContact CD2-CD2 4.35Å; L178-L190 HydrophobicContact CG-CD1 4.41Å; V179-L190 HydrophobicContact CG2-CB 4.33Å; A187-L190 HydrophobicContact CB-CD1 4.36Å; A187-L190 WeakPolarHBondContact O-CB 3.2Å; A187-L190 PolarHBondContact O-N 2.84Å; P188-L190 PolarHBondContact O-N 3.21Å; L190-Y196 HydrophobicContact CD2-CD1 3.43Å; L190-Y196 VanDerWaalsContact CD2-CD1 3.43Å; L190-Y196 HydrophobicContact CD2-CD2 4.47Å; L190-Y196 HydrophobicContact CD2-CE1 3.49Å; L190-Y196 VanDerWaalsContact CD2-CE1 3.49Å; L190-Y196 HydrophobicContact CD2-CG 3.96Å; L190-Y196 HydrophobicContact CG-CD1 4.32Å; L190-I200 HydrophobicContact CD1-CB 4.15Å; L190-I200 HydrophobicContact CD1-CD1 4.02Å; L190-I200 HydrophobicContact CD1-CG2 4.12Å; L190-I200 HydrophobicContact CD2-CD1 4.43Å; L190-I200 HydrophobicContact CG-CD1 4.5Å; L190-I200 HydrophobicContact CG-CG2 4.09Å; L190-Y319 WeakPolarHBondContact O-CE2 3.28Å; L190-Y319 PolarHBondContact O-OH 3.34Å |
| 191 | L | 82.8 | Confident | 85.2 | Confident | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -87.2 | -27.8 | 175.6 | -55.6 | 178.1 | 0 | 0 | 0 | 111.8 | V179 P188 E189 Y228 I231 L232 L390 | V179-L191 HydrophobicContact CB-CD2 4.4Å; V179-L191 HydrophobicContact CG1-CD2 3.61Å; V179-L191 HydrophobicContact CG2-CD2 4.01Å; P188-L191 WeakPolarHBondContact O-CB 3.48Å; P188-L191 PolarHBondContact O-N 3.21Å; E189-L191 PolarHBondContact O-N 3.1Å; L191-Y228 HydrophobicContact CD1-CD1 3.88Å; L191-Y228 HydrophobicContact CD2-CD1 3.7Å; L191-Y228 HydrophobicContact CD2-CE1 4.01Å; L191-Y228 HydrophobicContact CG-CD1 4.45Å; L191-I231 HydrophobicContact CD1-CB 3.99Å; L191-I231 HydrophobicContact CD1-CD1 4.5Å; L191-I231 HydrophobicContact CD1-CG2 3.67Å; L191-L232 HydrophobicContact CB-CD2 3.98Å; L191-L232 HydrophobicContact CD1-CD2 4.11Å; L191-L232 HydrophobicContact CD1-CG 3.99Å; L191-L390 WeakPolarHBondContact O-CD2 3.14Å |
| 192 | L | 81.4 | Confident | 86.8 | Confident | 48 Ų | 48 | 20 Ų | 20 | 25% | 0.251 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -91.2 | -32.4 | -173.7 | -63.4 | 172.7 | 0 | 0 | 0 | 113 | P188 E189 L232 A387 L390 | P188-L192 PolarHBondContact O-N 2.92Å; E189-L192 PolarHBondContact O-N 2.86Å; L192-L232 HydrophobicContact CD1-CD2 4Å; L192-L232 HydrophobicContact CD2-CD2 3.58Å; L192-L232 HydrophobicContact CG-CD2 3.59Å; L192-A387 HydrophobicContact CD1-CB 4.44Å; L192-A387 HydrophobicContact CD2-CB 4.25Å; L192-L390 HydrophobicContact CD2-CB 4.26Å; L192-L390 HydrophobicContact CD2-CD2 4.14Å |
| 193 | S | 77.7 | Confident | 87.9 | Confident | 18 Ų | 18 | 19.2 Ų | 19.2 | 13% | 0.126 | 10% | 0.102 | C | C | . | . | trans | -150.6 | 170.2 | -177.6 | 87.7 | 0 | 0 | 0 | 0 | 111 | E189 C195 | E189-S193 PolarHBondContact O-N 3.48Å; E189-S193 VanDerWaalsContact O-O 3.12Å; S193-C195 VanDerWaalsContact C-N 3.33Å; S193-C195 PolarHBondContact OG-N 2.65Å; S193-C195 PolarHBondContact OG-O 2.86Å | ||
| 194 | R | 71.8 | Confident | 88.7 | Confident | 11 Ų | 11 | 19.1 Ų | 19.1 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -100 | 13.9 | 165.4 | -55 | 173.1 | 168.2 | -132.2 | -14.6 | 111.6 | D173 Y319 L322 P323 | D173-R194 IonicContact OD1-NH1 3.32Å; D173-R194 IonicContact OD2-CZ 3.45Å; D173-R194 VanDerWaalsContact OD2-CZ 3.29Å; D173-R194 IonicContact OD2-NH1 3.07Å; D173-R194 PolarHBondContact OD2-NH1 3.29Å; D173-R194 IonicContact OD2-NH2 3.34Å; D173-R194 PolarHBondContact OD2-NH2 3.36Å; D173-R194 VanDerWaalsContact OD2-NH2 3.11Å; R194-Y319 HydrophobicContact CG-CE1 4.28Å; R194-Y319 HydrophobicContact CG-CE2 4.32Å; R194-Y319 VanDerWaalsContact CZ-O 3.24Å; R194-Y319 PolarHBondContact NE-O 3.5Å; R194-Y319 VanDerWaalsContact NH2-CD1 3.32Å; R194-Y319 PolarHBondContact NH2-O 3.46Å; R194-L322 WeakPolarHBondContact CD-O 3.36Å; R194-L322 HydrophobicContact CG-CB 3.83Å; R194-L322 HydrophobicContact CG-CD1 4.5Å; R194-L322 PolarHBondContact NE-O 3.18Å; R194-P323 WeakPolarHBondContact CB-O 3.27Å |
| 195 | C | 76.2 | Confident | 89.2 | Confident | 56 Ų | 56 | 18 Ų | 18 | 38% | 0.378 | 9% | 0.094 | S | C | . | . | trans | -108.1 | 96.7 | 177.9 | -68.2 | 0 | 0 | 0 | 0 | 108 | S193 | S193-C195 VanDerWaalsContact C-N 3.33Å; S193-C195 PolarHBondContact OG-N 2.65Å; S193-C195 PolarHBondContact OG-O 2.86Å | ||
| 196 | Y | 85.8 | Confident | 89.5 | Confident | 22 Ų | 22 | 17.1 Ų | 17.1 | 9% | 0.086 | 9% | 0.091 | C | C | . | . | trans | -135.8 | 164.1 | 178.7 | 55.9 | -94.2 | 0 | 0 | 0 | 109.7 | I139 R141 D175 L190 I200 | I139-Y196 HydrophobicContact CD1-CD2 4.45Å; I139-Y196 HydrophobicContact CD1-CE2 4.35Å; R141-Y196 PolarHBondContact NE-OH 3.37Å; R141-Y196 PolarHBondContact NH1-OH 3.03Å; R141-Y196 PolarHBondContact NH2-OH 3.14Å; D175-Y196 PolarHBondContact OD1-OH 2.91Å; D175-Y196 VanDerWaalsContact OD2-CE1 3.27Å; D175-Y196 WeakPolarHBondContact OD2-CE1 3.32Å; D175-Y196 PolarHBondContact OD2-OH 2.84Å; L190-Y196 HydrophobicContact CD2-CD1 3.43Å; L190-Y196 VanDerWaalsContact CD2-CD1 3.43Å; L190-Y196 HydrophobicContact CD2-CD2 4.47Å; L190-Y196 HydrophobicContact CD2-CE1 3.49Å; L190-Y196 VanDerWaalsContact CD2-CE1 3.49Å; L190-Y196 HydrophobicContact CD2-CG 3.96Å; L190-Y196 HydrophobicContact CG-CD1 4.32Å; Y196-I200 HydrophobicContact CD2-CD1 3.6Å; Y196-I200 HydrophobicContact CD2-CG1 4.23Å; Y196-I200 HydrophobicContact CD2-CG2 4.05Å; Y196-I200 HydrophobicContact CE2-CD1 3.71Å; Y196-I200 HydrophobicContact CG-CD1 4.41Å; Y196-I200 HydrophobicContact CG-CG2 4.07Å | ||
| 197 | D | 89.1 | Confident | 90 | Very high | 77 Ų | 77 | 17.1 Ų | 17.1 | 41% | 0.412 | 9% | 0.09 | S | C | . | . | trans | -116.9 | -165.9 | 175.6 | 72.7 | 6.4 | 0 | 0 | 0 | 110.9 | T199 I200 | D197-T199 PolarHBondContact O-N 2.99Å; D197-T199 WeakPolarHBondContact OD1-CB 3.34Å; D197-T199 WeakPolarHBondContact OD1-CG2 3.49Å; D197-T199 PolarHBondContact OD1-N 3.27Å; D197-T199 PolarHBondContact OD1-OG1 2.71Å; D197-I200 WeakPolarHBondContact O-CG1 3.08Å | ||
| 198 | K | 93.3 | Very high | 90.3 | Very high | 84 Ų | 84 | 17.1 Ų | 17.1 | 37% | 0.365 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.4 | -178.8 | 69.7 | -171.1 | -177.3 | 177.9 | 0 | 114.1 | H134 I139 I200 D201 L202 | H134-K198 HydrophobicContact CB-CD 3.93Å; H134-K198 PolarHBondContact CE1-O 3.36Å; H134-K198 PolarHBondContact NE2-O 2.53Å; I139-K198 HydrophobicContact CD1-CB 4.48Å; I139-K198 HydrophobicContact CG1-CB 4.03Å; K198-I200 PolarHBondContact O-N 3Å; K198-I200 VanDerWaalsContact O-N 3.16Å; K198-D201 PolarHBondContact O-N 2.73Å; K198-L202 WeakPolarHBondContact O-CD2 3.48Å |
| 199 | T | 95.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 17 Ų | 17 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.9 | -16.6 | -177.8 | 65.9 | 0 | 0 | 0 | 0 | 113.2 | D197 D201 L202 W203 P262 R265 | D197-T199 PolarHBondContact O-N 2.99Å; D197-T199 WeakPolarHBondContact OD1-CB 3.34Å; D197-T199 WeakPolarHBondContact OD1-CG2 3.49Å; D197-T199 PolarHBondContact OD1-N 3.27Å; D197-T199 PolarHBondContact OD1-OG1 2.71Å; T199-D201 PolarHBondContact O-N 3.08Å; T199-L202 VanDerWaalsContact O-CB 3.32Å; T199-L202 WeakPolarHBondContact O-CB 3.45Å; T199-L202 PolarHBondContact O-N 3.22Å; T199-W203 PolarHBondContact O-N 2.72Å; T199-W203 VanDerWaalsContact O-N 3.16Å; T199-P262 VanDerWaalsContact OG1-CB 3.27Å; T199-P262 WeakPolarHBondContact OG1-CB 3.31Å; T199-R265 WeakPolarHBondContact O-CD 3.48Å; T199-R265 PolarHBondContact O-NH1 3.39Å; T199-R265 PolarHBondContact OG1-NH1 3.25Å |
| 200 | I | 94.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.9 | -32.2 | 174 | 65.1 | 165.5 | 0 | 0 | 0 | 112.5 | I139 R141 A187 E189 L190 Y196 D197 K198 L202 W203 S204 | I139-I200 HydrophobicContact CG2-CD1 3.78Å; I139-I200 HydrophobicContact CG2-CG1 3.68Å; R141-I200 HydrophobicContact CB-CD1 4.36Å; R141-I200 HydrophobicContact CG-CD1 3.97Å; A187-I200 HydrophobicContact CB-CB 3.95Å; A187-I200 HydrophobicContact CB-CG2 3.87Å; E189-I200 HydrophobicContact CG-CG2 3.94Å; E189-I200 VanDerWaalsContact OE1-CG2 3.24Å; E189-I200 WeakPolarHBondContact OE1-CG2 3.25Å; L190-I200 HydrophobicContact CD1-CB 4.15Å; L190-I200 HydrophobicContact CD1-CD1 4.02Å; L190-I200 HydrophobicContact CD1-CG2 4.12Å; L190-I200 HydrophobicContact CD2-CD1 4.43Å; L190-I200 HydrophobicContact CG-CD1 4.5Å; L190-I200 HydrophobicContact CG-CG2 4.09Å; Y196-I200 HydrophobicContact CD2-CD1 3.6Å; Y196-I200 HydrophobicContact CD2-CG1 4.23Å; Y196-I200 HydrophobicContact CD2-CG2 4.05Å; Y196-I200 HydrophobicContact CE2-CD1 3.71Å; Y196-I200 HydrophobicContact CG-CD1 4.41Å; Y196-I200 HydrophobicContact CG-CG2 4.07Å; D197-I200 WeakPolarHBondContact O-CG1 3.08Å; K198-I200 PolarHBondContact O-N 3Å; K198-I200 VanDerWaalsContact O-N 3.16Å; I200-L202 VanDerWaalsContact C-N 3.28Å; I200-L202 PolarHBondContact O-N 2.93Å; I200-W203 PolarHBondContact O-N 3.03Å; I200-S204 PolarHBondContact O-N 3.3Å; I200-S204 VanDerWaalsContact O-N 3.14Å; I200-S204 PolarHBondContact O-OG 3.45Å |
| 201 | D | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71 | -29.6 | 176.3 | -68.9 | -25.2 | 0 | 0 | 0 | 110.6 | I130 H134 I139 H140 R141 L143 K198 T199 S204 L205 | I130-D201 HydrophobicContact CG2-CB 4.09Å; H134-D201 IonicContact CD2-OD2 3.39Å; H134-D201 IonicContact CE1-OD2 2.83Å; H134-D201 IonicContact NE2-OD2 3.57Å; H134-D201 PolarHBondContact NE2-OD2 3.44Å; I139-D201 WeakPolarHBondContact CG2-OD2 3.31Å; H140-D201 WeakPolarHBondContact CB-OD1 3.1Å; H140-D201 PolarHBondContact N-OD1 3.2Å; H140-D201 PolarHBondContact N-OD2 3.17Å; R141-D201 PolarHBondContact N-OD1 3.28Å; L143-D201 HydrophobicContact CD1-CB 3.81Å; L143-D201 WeakPolarHBondContact CD1-O 3.44Å; K198-D201 PolarHBondContact O-N 2.73Å; T199-D201 PolarHBondContact O-N 3.08Å; D201-S204 WeakPolarHBondContact O-CB 3.27Å; D201-S204 PolarHBondContact O-N 2.88Å; D201-L205 WeakPolarHBondContact O-CG 3.27Å; D201-L205 PolarHBondContact O-N 2.84Å |
| 202 | L | 98.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -71.4 | -39.3 | 178 | -69.7 | -68.4 | 0 | 0 | 0 | 110.3 | H134 K198 T199 I200 S204 L205 G206 L257 R265 I266 T268 | H134-L202 WeakPolarHBondContact CE1-CD2 3.27Å; K198-L202 WeakPolarHBondContact O-CD2 3.48Å; T199-L202 VanDerWaalsContact O-CB 3.32Å; T199-L202 WeakPolarHBondContact O-CB 3.45Å; T199-L202 PolarHBondContact O-N 3.22Å; I200-L202 VanDerWaalsContact C-N 3.28Å; I200-L202 PolarHBondContact O-N 2.93Å; L202-S204 VanDerWaalsContact C-N 3.34Å; L202-L205 HydrophobicContact CD1-CD1 4.36Å; L202-L205 WeakPolarHBondContact O-CB 3.5Å; L202-L205 PolarHBondContact O-N 3.43Å; L202-G206 PolarHBondContact O-N 3.48Å; L202-L257 HydrophobicContact CB-CD2 4.08Å; L202-L257 HydrophobicContact CD1-CD2 4.01Å; L202-L257 WeakPolarHBondContact O-CD2 3.41Å; L202-R265 HydrophobicContact CB-CG 4.25Å; L202-I266 WeakPolarHBondContact CD1-O 3.5Å; L202-I266 WeakPolarHBondContact CG-O 3.21Å; L202-T268 HydrophobicContact CD1-CG2 3.73Å |
| 203 | W | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.9 | -48.7 | 170.4 | 178.1 | -84 | 0 | 0 | 0 | 110.9 | C186 A187 P188 T199 I200 L205 G206 I207 Y219 I231 C234 L258 | C186-W203 PolarHBondContact O-NE1 3.17Å; A187-W203 VanDerWaalsContact CA-CD1 3.48Å; A187-W203 HydrophobicContact CB-CB 3.7Å; A187-W203 HydrophobicContact CB-CD2 4.33Å; A187-W203 HydrophobicContact CB-CG 3.75Å; P188-W203 HydrophobicContact CG-CE3 4.21Å; P188-W203 HydrophobicContact CG-CH2 3.98Å; P188-W203 HydrophobicContact CG-CZ2 4.47Å; P188-W203 HydrophobicContact CG-CZ3 3.85Å; T199-W203 PolarHBondContact O-N 2.72Å; T199-W203 VanDerWaalsContact O-N 3.16Å; I200-W203 PolarHBondContact O-N 3.03Å; W203-L205 VanDerWaalsContact C-N 3.29Å; W203-L205 PolarHBondContact O-N 2.8Å; W203-G206 WeakPolarHBondContact O-CA 3.33Å; W203-G206 PolarHBondContact O-N 2.81Å; W203-I207 PolarHBondContact O-N 2.85Å; W203-Y219 WeakPolarHBondContact CZ2-OH 3.28Å; W203-I231 HydrophobicContact CZ2-CG2 4.15Å; W203-C234 HydrophobicContact CH2-CB 3.91Å; W203-C234 HydrophobicContact CZ3-CB 4.43Å; W203-L258 HydrophobicContact CD2-CD2 3.97Å; W203-L258 HydrophobicContact CE3-CD2 4.14Å; W203-L258 HydrophobicContact CG-CD2 4.37Å; W203-L258 HydrophobicContact CZ3-CB 4.47Å |
| 204 | S | 96.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 177.9 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | L143 F185 I200 D201 L202 G206 I207 L208 | L143-S204 VanDerWaalsContact CB-CB 3.48Å; F185-S204 PolarHBondContact O-OG 3.05Å; F185-S204 VanDerWaalsContact O-OG 3.05Å; I200-S204 PolarHBondContact O-N 3.3Å; I200-S204 VanDerWaalsContact O-N 3.14Å; I200-S204 PolarHBondContact O-OG 3.45Å; D201-S204 WeakPolarHBondContact O-CB 3.27Å; D201-S204 PolarHBondContact O-N 2.88Å; L202-S204 VanDerWaalsContact C-N 3.34Å; S204-G206 VanDerWaalsContact C-N 3.32Å; S204-G206 PolarHBondContact O-N 3.06Å; S204-I207 PolarHBondContact O-N 3.39Å; S204-L208 VanDerWaalsContact O-CG 3.3Å; S204-L208 WeakPolarHBondContact O-CG 3.18Å; S204-L208 PolarHBondContact O-N 3.35Å |
| 205 | L | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.6 | -38 | 172.2 | -75.7 | 174.1 | 0 | 0 | 0 | 112.4 | F123 M126 V127 I130 L143 D201 L202 W203 L208 L209 | F123-L205 HydrophobicContact CE2-CB 4.18Å; F123-L205 HydrophobicContact CE2-CD2 4.04Å; F123-L205 WeakPolarHBondContact CE2-O 3.47Å; F123-L205 HydrophobicContact CZ-CB 4.08Å; F123-L205 HydrophobicContact CZ-CD2 4.49Å; M126-L205 HydrophobicContact CB-CD2 4.08Å; M126-L205 HydrophobicContact CE-CD2 3.85Å; V127-L205 HydrophobicContact CG2-CD1 4.28Å; I130-L205 HydrophobicContact CB-CD1 4.17Å; I130-L205 HydrophobicContact CG1-CD1 4.13Å; I130-L205 HydrophobicContact CG1-CD2 4.43Å; I130-L205 HydrophobicContact CG2-CD1 4.11Å; L143-L205 HydrophobicContact CD1-CD2 4.26Å; L143-L205 HydrophobicContact CD1-CG 4.02Å; D201-L205 WeakPolarHBondContact O-CG 3.27Å; D201-L205 PolarHBondContact O-N 2.84Å; L202-L205 HydrophobicContact CD1-CD1 4.36Å; L202-L205 WeakPolarHBondContact O-CB 3.5Å; L202-L205 PolarHBondContact O-N 3.43Å; W203-L205 VanDerWaalsContact C-N 3.29Å; W203-L205 PolarHBondContact O-N 2.8Å; L205-L208 PolarHBondContact O-N 3.26Å; L205-L209 WeakPolarHBondContact O-CB 3.32Å; L205-L209 PolarHBondContact O-N 3.04Å |
| 206 | G | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L202 W203 S204 L209 Y210 | L202-G206 PolarHBondContact O-N 3.48Å; W203-G206 WeakPolarHBondContact O-CA 3.33Å; W203-G206 PolarHBondContact O-N 2.81Å; S204-G206 VanDerWaalsContact C-N 3.32Å; S204-G206 PolarHBondContact O-N 3.06Å; G206-L209 PolarHBondContact O-N 2.98Å; G206-Y210 WeakPolarHBondContact O-CB 3.36Å; G206-Y210 PolarHBondContact O-N 3.03Å |
| 207 | I | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.7 | -59.9 | -62.7 | 0 | 0 | 0 | 110.7 | T184 F185 W203 S204 L209 Y210 I211 P218 Y219 I236 L258 | T184-I207 HydrophobicContact CG2-CG2 4.22Å; F185-I207 HydrophobicContact CD1-CB 4.08Å; F185-I207 HydrophobicContact CD1-CG2 3.54Å; F185-I207 HydrophobicContact CE1-CG2 3.67Å; F185-I207 HydrophobicContact CG-CG2 4.43Å; W203-I207 PolarHBondContact O-N 2.85Å; S204-I207 PolarHBondContact O-N 3.39Å; I207-L209 PolarHBondContact O-N 2.81Å; I207-Y210 WeakPolarHBondContact O-CB 3.37Å; I207-Y210 PolarHBondContact O-N 3.01Å; I207-I211 HydrophobicContact CG2-CD1 3.97Å; I207-I211 WeakPolarHBondContact O-CD1 3.22Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 3.34Å; I207-P218 HydrophobicContact CD1-CG 3.86Å; I207-P218 HydrophobicContact CG2-CG 4.06Å; I207-Y219 HydrophobicContact CD1-CE2 3.92Å; I207-I236 HydrophobicContact CD1-CD1 4.06Å; I207-L258 HydrophobicContact CD1-CD1 4.41Å; I207-L258 HydrophobicContact CD1-CD2 3.7Å; I207-L258 HydrophobicContact CG1-CD2 3.97Å |
| 208 | L | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.2 | -45 | 176.1 | -69.6 | 167.8 | 0 | 0 | 0 | 111.5 | F105 M126 L143 P145 F185 S204 L205 I211 M212 | F105-L208 HydrophobicContact CE1-CD2 4.44Å; F105-L208 HydrophobicContact CE2-CD2 3.72Å; F105-L208 HydrophobicContact CZ-CB 4.22Å; F105-L208 HydrophobicContact CZ-CD2 3.45Å; F105-L208 VanDerWaalsContact CZ-CD2 3.45Å; F105-L208 HydrophobicContact CZ-CG 4.44Å; M126-L208 HydrophobicContact CE-CB 4.09Å; M126-L208 HydrophobicContact CE-CD1 3.62Å; M126-L208 HydrophobicContact CE-CG 4.41Å; L143-L208 HydrophobicContact CB-CD1 4.23Å; P145-L208 HydrophobicContact CG-CD2 3.93Å; F185-L208 HydrophobicContact CD1-CD2 4.31Å; F185-L208 HydrophobicContact CD1-CG 4.4Å; F185-L208 HydrophobicContact CE1-CD2 3.82Å; F185-L208 HydrophobicContact CE1-CG 4.32Å; S204-L208 VanDerWaalsContact O-CG 3.3Å; S204-L208 WeakPolarHBondContact O-CG 3.18Å; S204-L208 PolarHBondContact O-N 3.35Å; L205-L208 PolarHBondContact O-N 3.26Å; L208-I211 PolarHBondContact O-N 2.88Å; L208-M212 VanDerWaalsContact O-CG 3.23Å; L208-M212 WeakPolarHBondContact O-CG 3.24Å; L208-M212 PolarHBondContact O-N 3.37Å |
| 209 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 177.9 | -176.6 | 59.7 | 0 | 0 | 0 | 112.2 | V119 F123 L205 G206 I207 I211 M212 L213 V253 V254 L257 W276 | V119-L209 HydrophobicContact CG1-CD1 3.84Å; F123-L209 HydrophobicContact CB-CD1 4.34Å; F123-L209 HydrophobicContact CD1-CD1 4.05Å; F123-L209 HydrophobicContact CD1-CD2 4.18Å; F123-L209 HydrophobicContact CD2-CB 4.08Å; F123-L209 HydrophobicContact CD2-CD1 3.99Å; F123-L209 HydrophobicContact CD2-CG 4.49Å; F123-L209 HydrophobicContact CE1-CB 4.42Å; F123-L209 HydrophobicContact CE1-CD1 4.35Å; F123-L209 HydrophobicContact CE1-CD2 3.74Å; F123-L209 HydrophobicContact CE1-CG 4.39Å; F123-L209 HydrophobicContact CE2-CB 3.62Å; F123-L209 HydrophobicContact CE2-CD1 4.31Å; F123-L209 HydrophobicContact CE2-CD2 4.45Å; F123-L209 HydrophobicContact CE2-CG 4.33Å; F123-L209 HydrophobicContact CG-CD1 3.85Å; F123-L209 HydrophobicContact CZ-CB 3.8Å; F123-L209 HydrophobicContact CZ-CD1 4.47Å; F123-L209 HydrophobicContact CZ-CD2 3.89Å; F123-L209 HydrophobicContact CZ-CG 4.26Å; L205-L209 WeakPolarHBondContact O-CB 3.32Å; L205-L209 PolarHBondContact O-N 3.04Å; G206-L209 PolarHBondContact O-N 2.98Å; I207-L209 PolarHBondContact O-N 2.81Å; L209-I211 VanDerWaalsContact C-N 3.32Å; L209-I211 PolarHBondContact O-N 3.31Å; L209-M212 PolarHBondContact O-N 3.14Å; L209-L213 HydrophobicContact CD1-CD1 3.82Å; L209-L213 HydrophobicContact CD1-CG 3.89Å; L209-L213 HydrophobicContact CD2-CD1 4.3Å; L209-L213 HydrophobicContact CG-CD1 3.75Å; L209-L213 HydrophobicContact CG-CG 4.24Å; L209-L213 WeakPolarHBondContact O-CB 3.41Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 3.16Å; L209-V253 HydrophobicContact CD2-CB 4.28Å; L209-V253 HydrophobicContact CD2-CG1 3.51Å; L209-V254 HydrophobicContact CB-CG2 4.3Å; L209-V254 HydrophobicContact CD2-CG2 3.59Å; L209-V254 HydrophobicContact CG-CG2 3.7Å; L209-L257 HydrophobicContact CD2-CD1 4.09Å; L209-W276 HydrophobicContact CD1-CH2 3.7Å; L209-W276 HydrophobicContact CD1-CZ3 4.01Å; L209-W276 HydrophobicContact CD2-CZ3 4.1Å |
| 210 | Y | 97.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 9.5 Ų | 9.5 | 5% | 0.051 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -54.3 | -51.5 | 173.8 | -179.3 | -77.6 | 0 | 0 | 0 | 110.3 | G206 I207 M212 L213 C214 D216 P218 I236 E237 F238 W243 V254 | G206-Y210 WeakPolarHBondContact O-CB 3.36Å; G206-Y210 PolarHBondContact O-N 3.03Å; I207-Y210 WeakPolarHBondContact O-CB 3.37Å; I207-Y210 PolarHBondContact O-N 3.01Å; Y210-M212 VanDerWaalsContact C-N 3.34Å; Y210-M212 PolarHBondContact O-N 2.94Å; Y210-L213 PolarHBondContact O-N 3.49Å; Y210-C214 VanDerWaalsContact CD1-SG 3.56Å; Y210-C214 WeakPolarHBondContact CE1-SG 3.16Å; Y210-C214 PolarHBondContact O-N 3.01Å; Y210-C214 PolarHBondContact O-SG 3.19Å; Y210-D216 WeakPolarHBondContact CD1-O 3.33Å; Y210-D216 WeakPolarHBondContact CE1-O 3.37Å; Y210-P218 HydrophobicContact CD1-CB 3.71Å; Y210-P218 HydrophobicContact CD1-CG 3.98Å; Y210-P218 HydrophobicContact CD2-CB 4.34Å; Y210-P218 HydrophobicContact CE1-CB 3.62Å; Y210-P218 HydrophobicContact CE1-CG 4.32Å; Y210-P218 HydrophobicContact CE2-CB 4.29Å; Y210-P218 HydrophobicContact CG-CB 4.1Å; Y210-P218 HydrophobicContact CG-CG 4.4Å; Y210-I236 HydrophobicContact CD2-CG2 3.69Å; Y210-I236 HydrophobicContact CE2-CG2 3.18Å; Y210-E237 PolarHBondContact OH-O 3.13Å; Y210-F238 AromaticContact CD2-CE1 3.98Å; Y210-F238 HydrophobicContact CD2-CE1 3.98Å; Y210-F238 HydrophobicContact CD2-CZ 4.28Å; Y210-F238 HydrophobicContact CE2-CD1 4.33Å; Y210-F238 HydrophobicContact CE2-CE1 4.07Å; Y210-F238 HydrophobicContact CE2-CZ 4.39Å; Y210-W243 HydrophobicContact CD1-CZ2 4.39Å; Y210-W243 HydrophobicContact CD2-CH2 4.05Å; Y210-W243 AromaticContact CD2-CZ2 3.32Å; Y210-W243 HydrophobicContact CD2-CZ2 3.32Å; Y210-W243 HydrophobicContact CE1-CZ2 4.4Å; Y210-W243 AromaticContact CE2-CE2 3.7Å; Y210-W243 HydrophobicContact CE2-CH2 4.37Å; Y210-W243 AromaticContact CE2-CZ2 3.31Å; Y210-W243 HydrophobicContact CE2-CZ2 3.31Å; Y210-W243 AromaticContact CE2-NE1 3.63Å; Y210-W243 AromaticContact CG-CZ2 3.87Å; Y210-W243 HydrophobicContact CG-CZ2 3.87Å; Y210-W243 AromaticContact CZ-CZ2 3.89Å; Y210-W243 AromaticContact CZ-NE1 3.59Å; Y210-W243 PolarHBondContact OH-NE1 3.05Å; Y210-V254 HydrophobicContact CD2-CG1 4.2Å |
| 211 | I | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | -179.8 | -62 | 159.9 | 0 | 0 | 0 | 110.5 | F105 F185 I207 L208 L209 G215 D216 L294 F297 | F105-I211 HydrophobicContact CD1-CG2 4.28Å; F105-I211 HydrophobicContact CE1-CB 4.14Å; F105-I211 HydrophobicContact CE1-CG2 3.75Å; F185-I211 HydrophobicContact CE1-CD1 3.91Å; F185-I211 HydrophobicContact CZ-CD1 4.18Å; I207-I211 HydrophobicContact CG2-CD1 3.97Å; I207-I211 WeakPolarHBondContact O-CD1 3.22Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 3.34Å; L208-I211 PolarHBondContact O-N 2.88Å; L209-I211 VanDerWaalsContact C-N 3.32Å; L209-I211 PolarHBondContact O-N 3.31Å; I211-G215 WeakPolarHBondContact O-CA 3.4Å; I211-G215 PolarHBondContact O-N 3.01Å; I211-D216 WeakPolarHBondContact CG1-O 3.49Å; I211-L294 HydrophobicContact CG2-CD1 3.87Å; I211-F297 HydrophobicContact CD1-CE2 3.96Å; I211-F297 HydrophobicContact CD1-CZ 3.82Å; I211-F297 HydrophobicContact CG1-CE2 4.46Å; I211-F297 HydrophobicContact CG2-CD1 3.87Å; I211-F297 HydrophobicContact CG2-CD2 4.21Å; I211-F297 HydrophobicContact CG2-CE1 3.84Å; I211-F297 HydrophobicContact CG2-CE2 4.18Å; I211-F297 HydrophobicContact CG2-CG 4.06Å; I211-F297 HydrophobicContact CG2-CZ 4Å |
| 212 | M | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 175.5 | -67.6 | 169.3 | 80.7 | 0 | 0 | 111.8 | L104 F105 L108 Y114 V119 F123 M126 L208 L209 Y210 | L104-M212 HydrophobicContact CD2-CE 4.26Å; F105-M212 HydrophobicContact CE1-CG 4.1Å; F105-M212 HydrophobicContact CZ-CG 3.93Å; F105-M212 HydrophobicContact CZ-SD 4.47Å; L108-M212 HydrophobicContact CD1-CE 3.78Å; L108-M212 HydrophobicContact CD1-CG 3.95Å; Y114-M212 PolarHBondContact OH-O 3.46Å; V119-M212 HydrophobicContact CG1-CB 3.78Å; V119-M212 HydrophobicContact CG1-CE 3.91Å; V119-M212 HydrophobicContact CG1-SD 4.49Å; V119-M212 HydrophobicContact CG2-CB 4.42Å; F123-M212 HydrophobicContact CB-CE 4.36Å; F123-M212 HydrophobicContact CD2-SD 4.19Å; M126-M212 HydrophobicContact SD-SD 4.31Å; L208-M212 VanDerWaalsContact O-CG 3.23Å; L208-M212 WeakPolarHBondContact O-CG 3.24Å; L208-M212 PolarHBondContact O-N 3.37Å; L209-M212 PolarHBondContact O-N 3.14Å; Y210-M212 VanDerWaalsContact C-N 3.34Å; Y210-M212 PolarHBondContact O-N 2.94Å |
| 213 | L | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -77.8 | -28.3 | -174.9 | -71.2 | 171.6 | 0 | 0 | 0 | 114 | E116 V119 L209 Y210 W243 I246 A250 V254 W276 | E116-L213 HydrophobicContact CG-CD2 4.22Å; V119-L213 HydrophobicContact CB-CD2 4.29Å; V119-L213 HydrophobicContact CG1-CD2 3.83Å; V119-L213 HydrophobicContact CG1-CG 4.22Å; L209-L213 HydrophobicContact CD1-CD1 3.82Å; L209-L213 HydrophobicContact CD1-CG 3.89Å; L209-L213 HydrophobicContact CD2-CD1 4.3Å; L209-L213 HydrophobicContact CG-CD1 3.75Å; L209-L213 HydrophobicContact CG-CG 4.24Å; L209-L213 WeakPolarHBondContact O-CB 3.41Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 3.16Å; Y210-L213 PolarHBondContact O-N 3.49Å; L213-W243 HydrophobicContact CB-CH2 4.02Å; L213-W243 HydrophobicContact CB-CZ3 4.25Å; L213-W243 HydrophobicContact CD1-CH2 4.31Å; L213-W243 HydrophobicContact CD1-CZ3 4.3Å; L213-I246 HydrophobicContact CB-CD1 4.47Å; L213-I246 HydrophobicContact CB-CG1 4.49Å; L213-I246 HydrophobicContact CB-CG2 4.46Å; L213-I246 HydrophobicContact CD1-CG2 4.26Å; L213-I246 HydrophobicContact CD2-CD1 4.46Å; L213-I246 HydrophobicContact CD2-CG2 4.26Å; L213-I246 VanDerWaalsContact O-CD1 3.27Å; L213-I246 WeakPolarHBondContact O-CD1 3.49Å; L213-A250 HydrophobicContact CD1-CB 3.88Å; L213-A250 HydrophobicContact CD2-CB 4.4Å; L213-V254 HydrophobicContact CD1-CG2 3.75Å; L213-W276 HydrophobicContact CD2-CZ2 4.22Å |
| 214 | C | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -120.7 | -13.3 | -175.7 | 79.5 | 0 | 0 | 0 | 0 | 115.3 | Y210 D216 W243 K293 | Y210-C214 VanDerWaalsContact CD1-SG 3.56Å; Y210-C214 WeakPolarHBondContact CE1-SG 3.16Å; Y210-C214 PolarHBondContact O-N 3.01Å; Y210-C214 PolarHBondContact O-SG 3.19Å; C214-D216 VanDerWaalsContact C-N 3.28Å; C214-D216 PolarHBondContact O-N 3.31Å; C214-W243 HydrophobicContact CB-CD2 4.36Å; C214-W243 HydrophobicContact CB-CZ2 3.83Å; C214-K293 WeakPolarHBondContact O-CD 3.22Å |
| 215 | G | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 80.8 | -1.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I211 K293 L294 | I211-G215 WeakPolarHBondContact O-CA 3.4Å; I211-G215 PolarHBondContact O-N 3.01Å; G215-K293 CarbonylContact O-C 3.3Å; G215-K293 WeakPolarHBondContact O-CB 3.47Å; G215-K293 VanDerWaalsContact O-O 3.06Å; G215-L294 PolarHBondContact O-N 3.06Å |
| 216 | D | 89.2 | Confident | 89.9 | Confident | 30 Ų | 30 | 26.6 Ų | 26.6 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -114.5 | 151.8 | -176.1 | -78.7 | -51.7 | 0 | 0 | 0 | 112.1 | Y210 I211 C214 K220 K293 | Y210-D216 WeakPolarHBondContact CD1-O 3.33Å; Y210-D216 WeakPolarHBondContact CE1-O 3.37Å; I211-D216 WeakPolarHBondContact CG1-O 3.49Å; C214-D216 VanDerWaalsContact C-N 3.28Å; C214-D216 PolarHBondContact O-N 3.31Å; D216-K220 IonicContact OD1-NZ 3.69Å; D216-K293 VanDerWaalsContact OD2-CD 3.28Å; D216-K293 WeakPolarHBondContact OD2-CD 3.08Å; D216-K293 VanDerWaalsContact OD2-CE 3.28Å; D216-K293 WeakPolarHBondContact OD2-CE 3.18Å; D216-K293 IonicContact OD2-NZ 3.82Å; D216-K293 PolarHBondContact OD2-NZ 2.9Å |
| 217 | D | 90.5 | Very high | 89.3 | Confident | 41 Ų | 41 | 27.5 Ų | 27.5 | 22% | 0.219 | 16% | 0.159 | C | C | . | . | trans | -69.5 | 124.9 | 167.6 | -176.5 | -32.1 | 0 | 0 | 0 | 109.5 | T184 Y219 K220 F297 | T184-D217 VanDerWaalsContact CG2-OD1 3.31Å; T184-D217 WeakPolarHBondContact CG2-OD1 3.26Å; D217-Y219 PolarHBondContact O-N 3.13Å; D217-Y219 PolarHBondContact OD1-N 3.08Å; D217-K220 HydrophobicContact CB-CB 4.19Å; D217-K220 VanDerWaalsContact O-CB 3.31Å; D217-K220 WeakPolarHBondContact O-CB 3.42Å; D217-K220 PolarHBondContact O-N 2.82Å; D217-K220 VanDerWaalsContact O-N 3.13Å; D217-K220 PolarHBondContact OD1-N 3.4Å; D217-F297 HydrophobicContact CB-CD2 4.23Å; D217-F297 HydrophobicContact CB-CE2 4.21Å | ||
| 218 | P | 92.8 | Very high | 88.6 | Confident | 12 Ų | 12 | 28 Ų | 28 | 8% | 0.078 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.5 | -178.1 | 23.3 | -32.4 | 0 | 0 | 0 | 114.2 | I207 Y210 I236 | I207-P218 HydrophobicContact CD1-CG 3.86Å; I207-P218 HydrophobicContact CG2-CG 4.06Å; Y210-P218 HydrophobicContact CD1-CB 3.71Å; Y210-P218 HydrophobicContact CD1-CG 3.98Å; Y210-P218 HydrophobicContact CD2-CB 4.34Å; Y210-P218 HydrophobicContact CE1-CB 3.62Å; Y210-P218 HydrophobicContact CE1-CG 4.32Å; Y210-P218 HydrophobicContact CE2-CB 4.29Å; Y210-P218 HydrophobicContact CG-CB 4.1Å; Y210-P218 HydrophobicContact CG-CG 4.4Å; P218-I236 HydrophobicContact CB-CD1 3.92Å; P218-I236 HydrophobicContact CB-CG1 3.97Å; P218-I236 HydrophobicContact CB-CG2 3.89Å |
| 219 | Y | 90.4 | Very high | 88 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 23 | 179.4 | -54.5 | -62.7 | 0 | 0 | 0 | 112.2 | T184 W203 I207 D217 S221 K222 L227 A230 I231 I236 | T184-Y219 HydrophobicContact CG2-CD2 4.09Å; W203-Y219 WeakPolarHBondContact CZ2-OH 3.28Å; I207-Y219 HydrophobicContact CD1-CE2 3.92Å; D217-Y219 PolarHBondContact O-N 3.13Å; D217-Y219 PolarHBondContact OD1-N 3.08Å; Y219-S221 PolarHBondContact O-N 2.8Å; Y219-K222 HydrophobicContact CD1-CD 4.26Å; Y219-K222 WeakPolarHBondContact O-CB 3.28Å; Y219-K222 PolarHBondContact O-N 3.11Å; Y219-L227 VanDerWaalsContact CB-CD1 3.48Å; Y219-L227 HydrophobicContact CD2-CD1 4.21Å; Y219-L227 HydrophobicContact CG-CD1 3.93Å; Y219-A230 HydrophobicContact CD1-CB 3.7Å; Y219-A230 HydrophobicContact CE1-CB 3.87Å; Y219-I231 HydrophobicContact CD2-CG1 4.15Å; Y219-I231 HydrophobicContact CE1-CG1 4.49Å; Y219-I231 HydrophobicContact CE2-CG1 3.78Å; Y219-I236 HydrophobicContact CD1-CG1 4.39Å; Y219-I236 HydrophobicContact CE1-CD1 4.18Å; Y219-I236 HydrophobicContact CE1-CG1 3.56Å; Y219-I236 HydrophobicContact CE2-CD1 4.38Å; Y219-I236 WeakPolarHBondContact OH-CD1 3.34Å |
| 220 | K | 83.7 | Confident | 87.6 | Confident | 90 Ų | 90 | 30.7 Ų | 30.7 | 39% | 0.391 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | 137.7 | 173.6 | -171.1 | 176.3 | -172.2 | 174.9 | 0 | 110.1 | D216 D217 K222 | D216-K220 IonicContact OD1-NZ 3.69Å; D217-K220 HydrophobicContact CB-CB 4.19Å; D217-K220 VanDerWaalsContact O-CB 3.31Å; D217-K220 WeakPolarHBondContact O-CB 3.42Å; D217-K220 PolarHBondContact O-N 2.82Å; D217-K220 VanDerWaalsContact O-N 3.13Å; D217-K220 PolarHBondContact OD1-N 3.4Å; K220-K222 VanDerWaalsContact C-N 3.25Å; K220-K222 PolarHBondContact O-N 2.66Å |
| 221 | S | 81.7 | Confident | 87.3 | Confident | 122 Ų | 122 | 30.1 Ų | 30.1 | 85% | 0.853 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 0.9 | -177.7 | 73.4 | 0 | 0 | 0 | 0 | 117.1 | Y219 | Y219-S221 PolarHBondContact O-N 2.8Š|
| 222 | K | 82.7 | Confident | 86.9 | Confident | 56 Ų | 56 | 31.1 Ų | 31.1 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | trans | -95.4 | 138.3 | 172.2 | -52.6 | -175.4 | 178.2 | 176.2 | 0 | 109.8 | Y219 K220 L227 A230 D235 | Y219-K222 HydrophobicContact CD1-CD 4.26Å; Y219-K222 WeakPolarHBondContact O-CB 3.28Å; Y219-K222 PolarHBondContact O-N 3.11Å; K220-K222 VanDerWaalsContact C-N 3.25Å; K220-K222 PolarHBondContact O-N 2.66Å; K222-L227 HydrophobicContact CB-CB 4.15Å; K222-L227 HydrophobicContact CB-CD1 4.33Å; K222-A230 HydrophobicContact CD-CB 3.27Å; K222-D235 PolarHBondContact NZ-O 2.94Å; K222-D235 IonicContact NZ-OD2 3.33Å; K222-D235 PolarHBondContact NZ-OD2 3.05Å | ||
| 223 | S | 78.5 | Confident | 86.7 | Confident | 72 Ų | 72 | 36.9 Ų | 36.9 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | trans | -144 | 163.7 | -179.8 | 51.5 | 0 | 0 | 0 | 0 | 110.2 | S225 D226 L227 | S223-S225 PolarHBondContact O-N 3.43Å; S223-D226 WeakPolarHBondContact O-CB 3.26Å; S223-D226 PolarHBondContact O-N 2.69Å; S223-D226 VanDerWaalsContact O-N 3.13Å; S223-L227 PolarHBondContact O-N 2.86Å | ||
| 224 | G | 74.5 | Confident | 86.5 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | 49.8 | -136 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D226 L227 Y228 E311 | G224-D226 VanDerWaalsContact C-N 3.25Å; G224-D226 PolarHBondContact O-N 3.4Å; G224-L227 WeakPolarHBondContact O-CB 3.36Å; G224-L227 PolarHBondContact O-N 3.21Å; G224-Y228 WeakPolarHBondContact O-CD2 3.44Å; G224-Y228 VanDerWaalsContact O-CE2 3.32Å; G224-Y228 WeakPolarHBondContact O-CE2 3.29Å; G224-Y228 PolarHBondContact O-N 3.42Å; G224-E311 VanDerWaalsContact CA-OE2 3.24Å; G224-E311 WeakPolarHBondContact CA-OE2 3.36Å; G224-E311 PolarHBondContact N-OE1 2.7Å; G224-E311 PolarHBondContact N-OE2 3.31Å |
| 225 | S | 77.4 | Confident | 86.5 | Confident | 25 Ų | 25 | 42.4 Ų | 42.4 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -31.1 | -178.7 | 66 | 0 | 0 | 0 | 0 | 113.8 | S223 Y228 R229 | S223-S225 PolarHBondContact O-N 3.43Å; S225-Y228 PolarHBondContact O-N 3.26Å; S225-R229 WeakPolarHBondContact O-CB 3.48Å; S225-R229 PolarHBondContact O-N 3.16Å |
| 226 | D | 83.8 | Confident | 86.5 | Confident | 85 Ų | 85 | 43.1 Ų | 43.1 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 178.7 | -68.4 | -21.4 | 0 | 0 | 0 | 112.6 | S223 G224 R229 A230 | S223-D226 WeakPolarHBondContact O-CB 3.26Å; S223-D226 PolarHBondContact O-N 2.69Å; S223-D226 VanDerWaalsContact O-N 3.13Å; G224-D226 VanDerWaalsContact C-N 3.25Å; G224-D226 PolarHBondContact O-N 3.4Å; D226-R229 IonicContact OD1-CZ 3.55Å; D226-R229 IonicContact OD1-NH1 2.64Å; D226-R229 PolarHBondContact OD1-NH1 3.19Å; D226-R229 IonicContact OD1-NH2 3.7Å; D226-A230 WeakPolarHBondContact O-CB 3.47Å; D226-A230 PolarHBondContact O-N 2.55Å |
| 227 | L | 84.3 | Confident | 86.4 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 174.3 | 176.6 | 58.8 | 0 | 0 | 0 | 110.7 | A183 Y219 K222 S223 G224 R229 A230 I231 | A183-L227 HydrophobicContact CB-CD2 3.7Å; A183-L227 HydrophobicContact CB-CG 4.39Å; Y219-L227 VanDerWaalsContact CB-CD1 3.48Å; Y219-L227 HydrophobicContact CD2-CD1 4.21Å; Y219-L227 HydrophobicContact CG-CD1 3.93Å; K222-L227 HydrophobicContact CB-CB 4.15Å; K222-L227 HydrophobicContact CB-CD1 4.33Å; S223-L227 PolarHBondContact O-N 2.86Å; G224-L227 WeakPolarHBondContact O-CB 3.36Å; G224-L227 PolarHBondContact O-N 3.21Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 2.68Å; L227-A230 PolarHBondContact O-N 3.02Å; L227-I231 HydrophobicContact CD1-CD1 3.97Å; L227-I231 HydrophobicContact CD1-CG1 4.33Å; L227-I231 HydrophobicContact CG-CD1 3.91Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 3.1Å |
| 228 | Y | 83.3 | Confident | 86.4 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | -179.1 | -63 | -66.7 | 0 | 0 | 0 | 112.3 | V179 A183 L191 G224 S225 A230 I231 L232 W314 I315 | V179-Y228 HydrophobicContact CG1-CE1 4.23Å; V179-Y228 PolarHBondContact O-OH 2.88Å; A183-Y228 HydrophobicContact CB-CE1 3.87Å; L191-Y228 HydrophobicContact CD1-CD1 3.88Å; L191-Y228 HydrophobicContact CD2-CD1 3.7Å; L191-Y228 HydrophobicContact CD2-CE1 4.01Å; L191-Y228 HydrophobicContact CG-CD1 4.45Å; G224-Y228 WeakPolarHBondContact O-CD2 3.44Å; G224-Y228 VanDerWaalsContact O-CE2 3.32Å; G224-Y228 WeakPolarHBondContact O-CE2 3.29Å; G224-Y228 PolarHBondContact O-N 3.42Å; S225-Y228 PolarHBondContact O-N 3.26Å; Y228-A230 VanDerWaalsContact C-N 3.34Å; Y228-A230 PolarHBondContact O-N 2.9Å; Y228-I231 PolarHBondContact O-N 2.97Å; Y228-L232 WeakPolarHBondContact O-CB 3.47Å; Y228-L232 VanDerWaalsContact O-CG 3.27Å; Y228-L232 WeakPolarHBondContact O-CG 3.48Å; Y228-L232 PolarHBondContact O-N 2.91Å; Y228-W314 AromaticContact CD2-CH2 3.94Å; Y228-W314 HydrophobicContact CD2-CH2 3.94Å; Y228-W314 AromaticContact CD2-CZ2 3.68Å; Y228-W314 HydrophobicContact CD2-CZ2 3.68Å; Y228-W314 HydrophobicContact CE2-CH2 4.39Å; Y228-W314 AromaticContact CE2-CZ2 3.8Å; Y228-W314 HydrophobicContact CE2-CZ2 3.8Å; Y228-I315 HydrophobicContact CD1-CD1 4.12Å; Y228-I315 HydrophobicContact CD2-CD1 3.66Å; Y228-I315 HydrophobicContact CE1-CD1 3.54Å; Y228-I315 HydrophobicContact CE2-CD1 3.06Å; Y228-I315 HydrophobicContact CE2-CG1 4.44Å; Y228-I315 HydrophobicContact CG-CD1 4.17Å; Y228-I315 WeakPolarHBondContact OH-CD1 3.22Å |
| 229 | R | 85.7 | Confident | 85.9 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.6 | -173.3 | 179.8 | -46.3 | 96 | 15.1 | 112.1 | S225 D226 L227 I231 L232 H233 H398 | S225-R229 WeakPolarHBondContact O-CB 3.48Å; S225-R229 PolarHBondContact O-N 3.16Å; D226-R229 IonicContact OD1-CZ 3.55Å; D226-R229 IonicContact OD1-NH1 2.64Å; D226-R229 PolarHBondContact OD1-NH1 3.19Å; D226-R229 IonicContact OD1-NH2 3.7Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-R229 PolarHBondContact O-N 2.68Å; R229-I231 VanDerWaalsContact C-N 3.31Å; R229-I231 PolarHBondContact O-N 3.4Å; R229-L232 PolarHBondContact O-N 3.34Å; R229-H233 PolarHBondContact O-CD2 3.32Å; R229-H233 VanDerWaalsContact O-CD2 3.26Å; R229-H233 PolarHBondContact O-N 3.2Å; R229-H398 PolarHBondContact NE-CE1 3.17Å; R229-H398 VanDerWaalsContact NE-CE1 3.31Å; R229-H398 PolarHBondContact NE-NE2 3.28Å; R229-H398 PolarHBondContact NH1-CE1 2.87Å; R229-H398 PolarHBondContact NH2-CE1 2.74Å; R229-H398 PolarHBondContact NH2-NE2 2.86Å |
| 230 | A | 89.6 | Confident | 85.5 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y219 K222 D226 L227 Y228 H233 C234 D235 | Y219-A230 HydrophobicContact CD1-CB 3.7Å; Y219-A230 HydrophobicContact CE1-CB 3.87Å; K222-A230 HydrophobicContact CD-CB 3.27Å; D226-A230 WeakPolarHBondContact O-CB 3.47Å; D226-A230 PolarHBondContact O-N 2.55Å; L227-A230 PolarHBondContact O-N 3.02Å; Y228-A230 VanDerWaalsContact C-N 3.34Å; Y228-A230 PolarHBondContact O-N 2.9Å; A230-H233 PolarHBondContact O-N 2.73Å; A230-C234 WeakPolarHBondContact O-CA 3.49Å; A230-C234 PolarHBondContact O-N 2.66Å; A230-D235 HydrophobicContact CB-CB 4.19Å; A230-D235 PolarHBondContact O-N 2.71Å |
| 231 | I | 89.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 173.8 | -66.6 | 161 | 0 | 0 | 0 | 110.4 | A183 C186 P188 L191 W203 Y219 L227 Y228 R229 H233 C234 | A183-I231 HydrophobicContact CB-CD1 4.29Å; A183-I231 WeakPolarHBondContact O-CD1 3.48Å; C186-I231 WeakPolarHBondContact O-CG2 3.49Å; P188-I231 HydrophobicContact CB-CG2 4.35Å; L191-I231 HydrophobicContact CD1-CB 3.99Å; L191-I231 HydrophobicContact CD1-CD1 4.5Å; L191-I231 HydrophobicContact CD1-CG2 3.67Å; W203-I231 HydrophobicContact CZ2-CG2 4.15Å; Y219-I231 HydrophobicContact CD2-CG1 4.15Å; Y219-I231 HydrophobicContact CE1-CG1 4.49Å; Y219-I231 HydrophobicContact CE2-CG1 3.78Å; L227-I231 HydrophobicContact CD1-CD1 3.97Å; L227-I231 HydrophobicContact CD1-CG1 4.33Å; L227-I231 HydrophobicContact CG-CD1 3.91Å; L227-I231 WeakPolarHBondContact O-CG1 3.37Å; L227-I231 PolarHBondContact O-N 3.1Å; Y228-I231 PolarHBondContact O-N 2.97Å; R229-I231 VanDerWaalsContact C-N 3.31Å; R229-I231 PolarHBondContact O-N 3.4Å; I231-H233 PolarHBondContact O-N 3.19Å; I231-C234 PolarHBondContact O-N 2.9Å; I231-C234 VanDerWaalsContact O-N 3.11Å |
| 232 | L | 89.2 | Confident | 86 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.4 | -31.6 | -179.1 | -74.1 | 173.5 | 0 | 0 | 0 | 113.7 | P188 L191 L192 Y228 R229 L390 L394 | P188-L232 HydrophobicContact CB-CD2 4.18Å; L191-L232 HydrophobicContact CB-CD2 3.98Å; L191-L232 HydrophobicContact CD1-CD2 4.11Å; L191-L232 HydrophobicContact CD1-CG 3.99Å; L192-L232 HydrophobicContact CD1-CD2 4Å; L192-L232 HydrophobicContact CD2-CD2 3.58Å; L192-L232 HydrophobicContact CG-CD2 3.59Å; Y228-L232 WeakPolarHBondContact O-CB 3.47Å; Y228-L232 VanDerWaalsContact O-CG 3.27Å; Y228-L232 WeakPolarHBondContact O-CG 3.48Å; Y228-L232 PolarHBondContact O-N 2.91Å; R229-L232 PolarHBondContact O-N 3.34Å; L232-L390 HydrophobicContact CD1-CD2 4.38Å; L232-L394 HydrophobicContact CD1-CD1 3.24Å |
| 233 | H | 91.1 | Very high | 86.4 | Confident | 120 Ų | 120 | 48.9 Ų | 48.9 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -99.8 | 0.3 | 179.4 | -70.8 | -68.4 | 0 | 0 | 0 | 114.1 | R229 A230 I231 D235 | R229-H233 PolarHBondContact O-CD2 3.32Å; R229-H233 VanDerWaalsContact O-CD2 3.26Å; R229-H233 PolarHBondContact O-N 3.2Å; A230-H233 PolarHBondContact O-N 2.73Å; I231-H233 PolarHBondContact O-N 3.19Å; H233-D235 PolarHBondContact O-N 3.25Å |
| 234 | C | 92.7 | Very high | 86.9 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 48.4 | -169 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | W203 A230 I231 I236 L258 V260 | W203-C234 HydrophobicContact CH2-CB 3.91Å; W203-C234 HydrophobicContact CZ3-CB 4.43Å; A230-C234 WeakPolarHBondContact O-CA 3.49Å; A230-C234 PolarHBondContact O-N 2.66Å; I231-C234 PolarHBondContact O-N 2.9Å; I231-C234 VanDerWaalsContact O-N 3.11Å; C234-I236 PolarHBondContact O-N 2.86Å; C234-L258 PolarHBondContact SG-O 3.44Å; C234-L258 VanDerWaalsContact SG-O 3.35Å; C234-V260 HydrophobicContact CB-CG2 3.39Å |
| 235 | D | 92.2 | Very high | 87.6 | Confident | 87 Ų | 87 | 55.1 Ų | 55.1 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | trans | -78.3 | 75 | 179.4 | -177.9 | 36 | 0 | 0 | 0 | 110.4 | K222 A230 H233 | K222-D235 PolarHBondContact NZ-O 2.94Å; K222-D235 IonicContact NZ-OD2 3.33Å; K222-D235 PolarHBondContact NZ-OD2 3.05Å; A230-D235 HydrophobicContact CB-CB 4.19Å; A230-D235 PolarHBondContact O-N 2.71Å; H233-D235 PolarHBondContact O-N 3.25Å | ||
| 236 | I | 92.6 | Very high | 88.3 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | trans | -118.3 | 129.5 | -178 | -61.6 | 179.9 | 0 | 0 | 0 | 109.1 | I207 Y210 P218 Y219 C234 F238 L258 | I207-I236 HydrophobicContact CD1-CD1 4.06Å; Y210-I236 HydrophobicContact CD2-CG2 3.69Å; Y210-I236 HydrophobicContact CE2-CG2 3.18Å; P218-I236 HydrophobicContact CB-CD1 3.92Å; P218-I236 HydrophobicContact CB-CG1 3.97Å; P218-I236 HydrophobicContact CB-CG2 3.89Å; Y219-I236 HydrophobicContact CD1-CG1 4.39Å; Y219-I236 HydrophobicContact CE1-CD1 4.18Å; Y219-I236 HydrophobicContact CE1-CG1 3.56Å; Y219-I236 HydrophobicContact CE2-CD1 4.38Å; Y219-I236 WeakPolarHBondContact OH-CD1 3.34Å; C234-I236 PolarHBondContact O-N 2.86Å; I236-F238 HydrophobicContact CB-CE2 4.36Å; I236-F238 HydrophobicContact CG2-CE2 3.95Å; I236-F238 HydrophobicContact CG2-CZ 4.11Å; I236-L258 HydrophobicContact CD1-CD1 3.63Å | ||
| 237 | E | 88.2 | Confident | 88.7 | Confident | 122 Ų | 122 | 51.3 Ų | 51.3 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | trans | -93.3 | 129.5 | 178.8 | -61.3 | -166.1 | 164.6 | 0 | 0 | 112.7 | Y210 | Y210-E237 PolarHBondContact OH-O 3.13Š| ||
| 238 | F | 89.4 | Confident | 89.1 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 21% | 0.211 | 29% | 0.286 | C | S | . | . | trans | -103.5 | 28.9 | 171 | -62.6 | -91.5 | 0 | 0 | 0 | 111.8 | Y210 I236 W243 V254 K255 | Y210-F238 AromaticContact CD2-CE1 3.98Å; Y210-F238 HydrophobicContact CD2-CE1 3.98Å; Y210-F238 HydrophobicContact CD2-CZ 4.28Å; Y210-F238 HydrophobicContact CE2-CD1 4.33Å; Y210-F238 HydrophobicContact CE2-CE1 4.07Å; Y210-F238 HydrophobicContact CE2-CZ 4.39Å; I236-F238 HydrophobicContact CB-CE2 4.36Å; I236-F238 HydrophobicContact CG2-CE2 3.95Å; I236-F238 HydrophobicContact CG2-CZ 4.11Å; F238-W243 HydrophobicContact CB-CD2 4.46Å; F238-W243 HydrophobicContact CB-CG 4.37Å; F238-W243 AromaticContact CD1-CD2 3.9Å; F238-W243 HydrophobicContact CD1-CD2 3.9Å; F238-W243 AromaticContact CD1-CE2 3.8Å; F238-W243 AromaticContact CD1-CE3 3.98Å; F238-W243 HydrophobicContact CD1-CE3 3.98Å; F238-W243 AromaticContact CD1-CH2 3.94Å; F238-W243 HydrophobicContact CD1-CH2 3.94Å; F238-W243 AromaticContact CD1-CZ2 3.87Å; F238-W243 HydrophobicContact CD1-CZ2 3.87Å; F238-W243 AromaticContact CD1-CZ3 3.98Å; F238-W243 HydrophobicContact CD1-CZ3 3.98Å; F238-W243 AromaticContact CE1-CH2 3.91Å; F238-W243 HydrophobicContact CE1-CH2 3.91Å; F238-W243 HydrophobicContact CE1-CZ2 4.01Å; F238-W243 HydrophobicContact CE1-CZ3 4.27Å; F238-W243 WeakPolarHBondContact O-CB 3.11Å; F238-V254 HydrophobicContact CE1-CB 4.1Å; F238-V254 HydrophobicContact CE1-CG1 3.61Å; F238-V254 HydrophobicContact CZ-CG1 3.81Å; F238-K255 HydrophobicContact CE2-CG 4.34Å; F238-K255 HydrophobicContact CZ-CG 4.16Å | ||
| 239 | K | 83.6 | Confident | 89.7 | Confident | 167 Ų | 167 | 58.7 Ų | 58.7 | 73% | 0.726 | 30% | 0.296 | S | S | * | . | trans | -107.5 | -8.4 | -170.7 | -65.4 | 178.4 | -175.5 | 166.8 | 0 | 114.3 | ||||
| 240 | S | 82.5 | Confident | 90.1 | Very high | 34 Ų | 34 | 56.2 Ų | 56.2 | 24% | 0.238 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -59 | 157.2 | 179.5 | 81.9 | 0 | 0 | 0 | 0 | 111 | S242 W243 | S240-S242 PolarHBondContact O-N 3.44Å; S240-W243 PolarHBondContact O-N 3.38Å |
| 241 | T | 86.7 | Confident | 90.4 | Very high | 102 Ų | 102 | 57.2 Ų | 57.2 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -34.7 | 178.3 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | W243 K244 | T241-W243 VanDerWaalsContact C-N 3.35Å; T241-W243 PolarHBondContact O-N 3.3Å; T241-K244 WeakPolarHBondContact O-CB 3.2Å; T241-K244 PolarHBondContact O-N 3.35Å |
| 242 | S | 88.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -58.6 | -43.1 | 175.6 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | S240 K244 S245 I246 K293 | S240-S242 PolarHBondContact O-N 3.44Å; S242-K244 PolarHBondContact O-N 2.9Å; S242-S245 PolarHBondContact O-N 3.38Å; S242-S245 PolarHBondContact O-OG 3.28Å; S242-I246 WeakPolarHBondContact O-CG1 3.44Å; S242-K293 PolarHBondContact OG-NZ 3.14Å |
| 243 | W | 91.9 | Very high | 91 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -66 | -22.2 | -179 | -74.5 | 110.1 | 0 | 0 | 0 | 113.8 | Y210 L213 C214 F238 S240 T241 S245 I246 Q251 V254 | Y210-W243 HydrophobicContact CD1-CZ2 4.39Å; Y210-W243 HydrophobicContact CD2-CH2 4.05Å; Y210-W243 AromaticContact CD2-CZ2 3.32Å; Y210-W243 HydrophobicContact CD2-CZ2 3.32Å; Y210-W243 HydrophobicContact CE1-CZ2 4.4Å; Y210-W243 AromaticContact CE2-CE2 3.7Å; Y210-W243 HydrophobicContact CE2-CH2 4.37Å; Y210-W243 AromaticContact CE2-CZ2 3.31Å; Y210-W243 HydrophobicContact CE2-CZ2 3.31Å; Y210-W243 AromaticContact CE2-NE1 3.63Å; Y210-W243 AromaticContact CG-CZ2 3.87Å; Y210-W243 HydrophobicContact CG-CZ2 3.87Å; Y210-W243 AromaticContact CZ-CZ2 3.89Å; Y210-W243 AromaticContact CZ-NE1 3.59Å; Y210-W243 PolarHBondContact OH-NE1 3.05Å; L213-W243 HydrophobicContact CB-CH2 4.02Å; L213-W243 HydrophobicContact CB-CZ3 4.25Å; L213-W243 HydrophobicContact CD1-CH2 4.31Å; L213-W243 HydrophobicContact CD1-CZ3 4.3Å; C214-W243 HydrophobicContact CB-CD2 4.36Å; C214-W243 HydrophobicContact CB-CZ2 3.83Å; F238-W243 HydrophobicContact CB-CD2 4.46Å; F238-W243 HydrophobicContact CB-CG 4.37Å; F238-W243 AromaticContact CD1-CD2 3.9Å; F238-W243 HydrophobicContact CD1-CD2 3.9Å; F238-W243 AromaticContact CD1-CE2 3.8Å; F238-W243 AromaticContact CD1-CE3 3.98Å; F238-W243 HydrophobicContact CD1-CE3 3.98Å; F238-W243 AromaticContact CD1-CH2 3.94Å; F238-W243 HydrophobicContact CD1-CH2 3.94Å; F238-W243 AromaticContact CD1-CZ2 3.87Å; F238-W243 HydrophobicContact CD1-CZ2 3.87Å; F238-W243 AromaticContact CD1-CZ3 3.98Å; F238-W243 HydrophobicContact CD1-CZ3 3.98Å; F238-W243 AromaticContact CE1-CH2 3.91Å; F238-W243 HydrophobicContact CE1-CH2 3.91Å; F238-W243 HydrophobicContact CE1-CZ2 4.01Å; F238-W243 HydrophobicContact CE1-CZ3 4.27Å; F238-W243 WeakPolarHBondContact O-CB 3.11Å; S240-W243 PolarHBondContact O-N 3.38Å; T241-W243 VanDerWaalsContact C-N 3.35Å; T241-W243 PolarHBondContact O-N 3.3Å; W243-S245 VanDerWaalsContact C-N 3.25Å; W243-S245 PolarHBondContact O-N 3.38Å; W243-I246 HydrophobicContact CE3-CB 4.04Å; W243-I246 HydrophobicContact CE3-CG1 4.18Å; W243-I246 HydrophobicContact CE3-CG2 4.13Å; W243-I246 HydrophobicContact CZ3-CB 4.4Å; W243-I246 HydrophobicContact CZ3-CG2 3.99Å; W243-I246 PolarHBondContact O-N 3.01Å; W243-Q251 HydrophobicContact CE3-CG 3.65Å; W243-Q251 HydrophobicContact CZ3-CG 3.8Å; W243-Q251 PolarHBondContact O-NE2 3.12Å; W243-V254 HydrophobicContact CH2-CG2 4.17Å |
| 244 | K | 89.4 | Confident | 91.3 | Very high | 175 Ų | 175 | 53.2 Ų | 53.2 | 76% | 0.761 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -66.7 | -26.8 | 176.5 | -63.9 | -177.2 | 179.3 | 178.5 | 0 | 113 | T241 S242 | T241-K244 WeakPolarHBondContact O-CB 3.2Å; T241-K244 PolarHBondContact O-N 3.35Å; S242-K244 PolarHBondContact O-N 2.9Å |
| 245 | S | 87.9 | Confident | 91.6 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -93.2 | -6.5 | 178 | 46.4 | 0 | 0 | 0 | 0 | 114.1 | S242 W243 N283 | S242-S245 PolarHBondContact O-N 3.38Å; S242-S245 PolarHBondContact O-OG 3.28Å; W243-S245 VanDerWaalsContact C-N 3.25Å; W243-S245 PolarHBondContact O-N 3.38Å; S245-N283 PolarHBondContact O-ND2 3.03Å |
| 246 | I | 92 | Very high | 91.8 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -90.2 | 133.9 | -179.5 | -57.9 | -53.5 | 0 | 0 | 0 | 110.1 | E116 L213 S242 W243 A250 Q251 L287 | E116-I246 HydrophobicContact CG-CD1 4.32Å; L213-I246 HydrophobicContact CB-CD1 4.47Å; L213-I246 HydrophobicContact CB-CG1 4.49Å; L213-I246 HydrophobicContact CB-CG2 4.46Å; L213-I246 HydrophobicContact CD1-CG2 4.26Å; L213-I246 HydrophobicContact CD2-CD1 4.46Å; L213-I246 HydrophobicContact CD2-CG2 4.26Å; L213-I246 VanDerWaalsContact O-CD1 3.27Å; L213-I246 WeakPolarHBondContact O-CD1 3.49Å; S242-I246 WeakPolarHBondContact O-CG1 3.44Å; W243-I246 HydrophobicContact CE3-CB 4.04Å; W243-I246 HydrophobicContact CE3-CG1 4.18Å; W243-I246 HydrophobicContact CE3-CG2 4.13Å; W243-I246 HydrophobicContact CZ3-CB 4.4Å; W243-I246 HydrophobicContact CZ3-CG2 3.99Å; W243-I246 PolarHBondContact O-N 3.01Å; I246-A250 HydrophobicContact CG2-CB 3.63Å; I246-Q251 HydrophobicContact CG2-CG 4.15Å; I246-Q251 PolarHBondContact O-NE2 2.85Å; I246-L287 HydrophobicContact CD1-CD1 3.58Å; I246-L287 HydrophobicContact CD1-CD2 4.31Å |
| 247 | S | 92.6 | Very high | 92.1 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | trans | -57.8 | 148.1 | -178.6 | 75 | 0 | 0 | 0 | 0 | 113 | E116 N249 A250 Q251 | E116-S247 WeakPolarHBondContact OE1-CB 3.33Å; E116-S247 PolarHBondContact OE1-N 3.29Å; E116-S247 VanDerWaalsContact OE2-CB 3.3Å; E116-S247 WeakPolarHBondContact OE2-CB 3.42Å; E116-S247 PolarHBondContact OE2-OG 3.35Å; S247-N249 PolarHBondContact O-N 3.37Å; S247-A250 PolarHBondContact O-N 3.15Å; S247-A250 VanDerWaalsContact O-N 3.13Å; S247-A250 WeakPolarHBondContact OG-CB 3.34Å; S247-A250 PolarHBondContact OG-N 2.88Å; S247-Q251 WeakPolarHBondContact O-CG 3.29Å; S247-Q251 PolarHBondContact O-N 3.33Å | ||
| 248 | L | 93.1 | Very high | 92.6 | Very high | 137 Ų | 137 | 49.3 Ų | 49.3 | 72% | 0.717 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.3 | -35.4 | 177 | -66 | 178.1 | 0 | 0 | 0 | 111.8 | Q251 D252 | L248-Q251 PolarHBondContact O-N 2.93Å; L248-D252 VanDerWaalsContact O-CB 3.27Å; L248-D252 WeakPolarHBondContact O-CB 3.44Å; L248-D252 PolarHBondContact O-N 3.38Å |
| 249 | N | 94.6 | Very high | 92.9 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 176.6 | -72.7 | -14.7 | 0 | 0 | 0 | 112.1 | S247 D252 V253 H274 W276 | S247-N249 PolarHBondContact O-N 3.37Å; N249-D252 PolarHBondContact O-N 2.8Å; N249-V253 WeakPolarHBondContact O-CG2 3.37Å; N249-V253 PolarHBondContact O-N 2.77Å; N249-V253 VanDerWaalsContact O-N 3.08Å; N249-H274 PolarHBondContact O-CE1 3.19Å; N249-W276 HydrophobicContact CB-CB 3.88Å; N249-W276 HydrophobicContact CB-CG 4.32Å |
| 250 | A | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.2 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E116 L213 I246 S247 D252 V253 V254 W276 | E116-A250 WeakPolarHBondContact OE2-CB 3.27Å; L213-A250 HydrophobicContact CD1-CB 3.88Å; L213-A250 HydrophobicContact CD2-CB 4.4Å; I246-A250 HydrophobicContact CG2-CB 3.63Å; S247-A250 PolarHBondContact O-N 3.15Å; S247-A250 VanDerWaalsContact O-N 3.13Å; S247-A250 WeakPolarHBondContact OG-CB 3.34Å; S247-A250 PolarHBondContact OG-N 2.88Å; A250-D252 VanDerWaalsContact C-N 3.25Å; A250-D252 PolarHBondContact O-N 3.11Å; A250-V253 PolarHBondContact O-N 3.38Å; A250-V254 WeakPolarHBondContact O-CG2 3.4Å; A250-V254 PolarHBondContact O-N 2.96Å; A250-V254 VanDerWaalsContact O-N 3.13Å; A250-W276 HydrophobicContact CB-CD2 4.17Å; A250-W276 HydrophobicContact CB-CG 4.24Å; A250-W276 HydrophobicContact CB-CZ2 4.18Å |
| 251 | Q | 95.4 | Very high | 94 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 174.6 | -67.2 | -177.5 | 39.8 | 0 | 0 | 111.7 | W243 I246 S247 L248 V254 K255 | W243-Q251 HydrophobicContact CE3-CG 3.65Å; W243-Q251 HydrophobicContact CZ3-CG 3.8Å; W243-Q251 PolarHBondContact O-NE2 3.12Å; I246-Q251 HydrophobicContact CG2-CG 4.15Å; I246-Q251 PolarHBondContact O-NE2 2.85Å; S247-Q251 WeakPolarHBondContact O-CG 3.29Å; S247-Q251 PolarHBondContact O-N 3.33Å; L248-Q251 PolarHBondContact O-N 2.93Å; Q251-V254 PolarHBondContact O-N 3.46Å; Q251-K255 WeakPolarHBondContact O-CG 3.44Å; Q251-K255 PolarHBondContact O-N 3.49Å |
| 252 | D | 95.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 32% | 0.316 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 178.9 | -164.3 | 58.4 | 0 | 0 | 0 | 112 | L248 N249 A250 V254 K255 H256 H274 | L248-D252 VanDerWaalsContact O-CB 3.27Å; L248-D252 WeakPolarHBondContact O-CB 3.44Å; L248-D252 PolarHBondContact O-N 3.38Å; N249-D252 PolarHBondContact O-N 2.8Å; A250-D252 VanDerWaalsContact C-N 3.25Å; A250-D252 PolarHBondContact O-N 3.11Å; D252-V254 PolarHBondContact O-N 3.39Å; D252-K255 PolarHBondContact O-N 3.07Å; D252-H256 VanDerWaalsContact CG-CE1 3.45Å; D252-H256 PolarHBondContact O-N 2.78Å; D252-H256 PolarHBondContact O-ND1 3.17Å; D252-H256 IonicContact OD1-CE1 2.62Å; D252-H256 PolarHBondContact OD1-CE1 3.02Å; D252-H256 VanDerWaalsContact OD1-CE1 3.32Å; D252-H256 IonicContact OD1-ND1 2.77Å; D252-H256 IonicContact OD2-CE1 2.68Å; D252-H256 PolarHBondContact OD2-CE1 3.06Å; D252-H256 IonicContact OD2-ND1 3.79Å; D252-H256 PolarHBondContact OD2-ND1 3.45Å; D252-H274 IonicContact OD2-CE1 3.7Å; D252-H274 IonicContact OD2-NE2 2.9Å; D252-H274 PolarHBondContact OD2-NE2 2.85Å; D252-H274 VanDerWaalsContact OD2-NE2 3.08Å |
| 253 | V | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.2 | -48.1 | 171.8 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | L209 N249 A250 K255 H256 L257 L271 H274 W276 F277 | L209-V253 HydrophobicContact CD2-CB 4.28Å; L209-V253 HydrophobicContact CD2-CG1 3.51Å; N249-V253 WeakPolarHBondContact O-CG2 3.37Å; N249-V253 PolarHBondContact O-N 2.77Å; N249-V253 VanDerWaalsContact O-N 3.08Å; A250-V253 PolarHBondContact O-N 3.38Å; V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 3.37Å; V253-H256 PolarHBondContact O-N 3.31Å; V253-L257 HydrophobicContact CG1-CD1 3.73Å; V253-L257 HydrophobicContact CG1-CG 4.37Å; V253-L257 WeakPolarHBondContact O-CG 3.49Å; V253-L257 PolarHBondContact O-N 2.89Å; V253-L271 HydrophobicContact CB-CD1 4.48Å; V253-L271 HydrophobicContact CG1-CD1 3.49Å; V253-L271 VanDerWaalsContact CG1-CD1 3.49Å; V253-L271 HydrophobicContact CG2-CD1 4.27Å; V253-H274 HydrophobicContact CG2-CB 4.32Å; V253-H274 VanDerWaalsContact CG2-CE1 3.49Å; V253-H274 WeakPolarHBondContact CG2-CE1 3.25Å; V253-H274 WeakPolarHBondContact CG2-ND1 3.43Å; V253-W276 HydrophobicContact CB-CE3 4.38Å; V253-W276 HydrophobicContact CG1-CE3 4.4Å; V253-W276 HydrophobicContact CG2-CB 3.75Å; V253-W276 HydrophobicContact CG2-CD2 4.41Å; V253-W276 HydrophobicContact CG2-CE3 4Å; V253-W276 HydrophobicContact CG2-CG 4.36Å; V253-F277 HydrophobicContact CG1-CE2 4.36Å; V253-F277 HydrophobicContact CG2-CE2 4.46Å |
| 254 | V | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | -179.1 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | L209 Y210 L213 F238 W243 A250 Q251 D252 H256 L257 L258 | L209-V254 HydrophobicContact CB-CG2 4.3Å; L209-V254 HydrophobicContact CD2-CG2 3.59Å; L209-V254 HydrophobicContact CG-CG2 3.7Å; Y210-V254 HydrophobicContact CD2-CG1 4.2Å; L213-V254 HydrophobicContact CD1-CG2 3.75Å; F238-V254 HydrophobicContact CE1-CB 4.1Å; F238-V254 HydrophobicContact CE1-CG1 3.61Å; F238-V254 HydrophobicContact CZ-CG1 3.81Å; W243-V254 HydrophobicContact CH2-CG2 4.17Å; A250-V254 WeakPolarHBondContact O-CG2 3.4Å; A250-V254 PolarHBondContact O-N 2.96Å; A250-V254 VanDerWaalsContact O-N 3.13Å; Q251-V254 PolarHBondContact O-N 3.46Å; D252-V254 PolarHBondContact O-N 3.39Å; V254-H256 PolarHBondContact O-N 3.18Å; V254-L257 PolarHBondContact O-N 2.84Å; V254-L258 HydrophobicContact CG1-CD1 3.56Å; V254-L258 HydrophobicContact CG1-CG 4.32Å; V254-L258 WeakPolarHBondContact O-CB 3.39Å; V254-L258 VanDerWaalsContact O-CG 3.27Å; V254-L258 WeakPolarHBondContact O-CG 3.5Å; V254-L258 PolarHBondContact O-N 3.12Å |
| 255 | K | 97.4 | Very high | 95.3 | Very high | 94 Ų | 94 | 49.1 Ų | 49.1 | 41% | 0.409 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.4 | -70.5 | 168.5 | -173.5 | 170.8 | 0 | 112.4 | F238 Q251 D252 V253 L257 L258 M259 | F238-K255 HydrophobicContact CE2-CG 4.34Å; F238-K255 HydrophobicContact CZ-CG 4.16Å; Q251-K255 WeakPolarHBondContact O-CG 3.44Å; Q251-K255 PolarHBondContact O-N 3.49Å; D252-K255 PolarHBondContact O-N 3.07Å; V253-K255 VanDerWaalsContact C-N 3.32Å; V253-K255 PolarHBondContact O-N 3.37Å; K255-L257 VanDerWaalsContact C-N 3.34Å; K255-L257 PolarHBondContact O-N 3.01Å; K255-L258 CarbonylContact O-C 3.57Å; K255-L258 PolarHBondContact O-N 3.23Å; K255-M259 PolarHBondContact O-N 3.1Å |
| 256 | H | 98 | Very high | 95.8 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -32.3 | 178.2 | -78.4 | 101 | 0 | 0 | 0 | 113.3 | D252 V253 V254 I266 | D252-H256 VanDerWaalsContact CG-CE1 3.45Å; D252-H256 PolarHBondContact O-N 2.78Å; D252-H256 PolarHBondContact O-ND1 3.17Å; D252-H256 IonicContact OD1-CE1 2.62Å; D252-H256 PolarHBondContact OD1-CE1 3.02Å; D252-H256 VanDerWaalsContact OD1-CE1 3.32Å; D252-H256 IonicContact OD1-ND1 2.77Å; D252-H256 IonicContact OD2-CE1 2.68Å; D252-H256 PolarHBondContact OD2-CE1 3.06Å; D252-H256 IonicContact OD2-ND1 3.79Å; D252-H256 PolarHBondContact OD2-ND1 3.45Å; V253-H256 PolarHBondContact O-N 3.31Å; V254-H256 PolarHBondContact O-N 3.18Å; H256-I266 HydrophobicContact CB-CB 3.96Å; H256-I266 HydrophobicContact CB-CD1 4.35Å; H256-I266 HydrophobicContact CB-CG2 3.82Å; H256-I266 PolarHBondContact O-N 2.98Å; H256-I266 VanDerWaalsContact O-N 3.11Å |
| 257 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.1 | -31.7 | 172 | -73.6 | 167.8 | 0 | 0 | 0 | 112.5 | F123 L202 L209 V253 V254 K255 R265 I266 L271 | F123-L257 HydrophobicContact CE1-CD1 4.22Å; F123-L257 HydrophobicContact CZ-CD1 3.79Å; L202-L257 HydrophobicContact CB-CD2 4.08Å; L202-L257 HydrophobicContact CD1-CD2 4.01Å; L202-L257 WeakPolarHBondContact O-CD2 3.41Å; L209-L257 HydrophobicContact CD2-CD1 4.09Å; V253-L257 HydrophobicContact CG1-CD1 3.73Å; V253-L257 HydrophobicContact CG1-CG 4.37Å; V253-L257 WeakPolarHBondContact O-CG 3.49Å; V253-L257 PolarHBondContact O-N 2.89Å; V254-L257 PolarHBondContact O-N 2.84Å; K255-L257 VanDerWaalsContact C-N 3.34Å; K255-L257 PolarHBondContact O-N 3.01Å; L257-R265 WeakPolarHBondContact O-CD 3.28Å; L257-R265 VanDerWaalsContact O-CG 3.27Å; L257-R265 WeakPolarHBondContact O-CG 3.37Å; L257-I266 HydrophobicContact CD2-CG2 3.73Å; L257-I266 HydrophobicContact CG-CG2 3.92Å; L257-L271 HydrophobicContact CD2-CD2 3.94Å |
| 258 | L | 97.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 27.4 | -177.8 | -60.2 | 176.9 | 0 | 0 | 0 | 112.9 | W203 I207 C234 I236 V254 K255 V260 | W203-L258 HydrophobicContact CD2-CD2 3.97Å; W203-L258 HydrophobicContact CE3-CD2 4.14Å; W203-L258 HydrophobicContact CG-CD2 4.37Å; W203-L258 HydrophobicContact CZ3-CB 4.47Å; I207-L258 HydrophobicContact CD1-CD1 4.41Å; I207-L258 HydrophobicContact CD1-CD2 3.7Å; I207-L258 HydrophobicContact CG1-CD2 3.97Å; C234-L258 PolarHBondContact SG-O 3.44Å; C234-L258 VanDerWaalsContact SG-O 3.35Å; I236-L258 HydrophobicContact CD1-CD1 3.63Å; V254-L258 HydrophobicContact CG1-CD1 3.56Å; V254-L258 HydrophobicContact CG1-CG 4.32Å; V254-L258 WeakPolarHBondContact O-CB 3.39Å; V254-L258 VanDerWaalsContact O-CG 3.27Å; V254-L258 WeakPolarHBondContact O-CG 3.5Å; V254-L258 PolarHBondContact O-N 3.12Å; K255-L258 CarbonylContact O-C 3.57Å; K255-L258 PolarHBondContact O-N 3.23Å; L258-V260 PolarHBondContact O-N 3.47Å |
| 259 | M | 97.1 | Very high | 96.3 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | trans | -67.2 | 124.4 | 168.5 | -70.2 | -63.9 | -70.5 | 0 | 0 | 109.8 | K255 L264 R265 | K255-M259 PolarHBondContact O-N 3.1Å; M259-L264 HydrophobicContact CB-CB 4.47Å; M259-L264 HydrophobicContact CE-CB 3.72Å; M259-L264 HydrophobicContact CE-CD1 3.84Å; M259-L264 HydrophobicContact CE-CG 4.45Å; M259-R265 HydrophobicContact CB-CB 4.16Å; M259-R265 HydrophobicContact CB-CG 4.42Å; M259-R265 PolarHBondContact O-NE 3.36Å; M259-R265 PolarHBondContact O-NH2 3.37Å; M259-R265 VanDerWaalsContact O-NH2 3.12Å | ||
| 260 | V | 94.8 | Very high | 96.4 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 36% | 0.358 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -61.5 | -45.9 | 179.4 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | P188 C234 L258 P262 R265 | P188-V260 HydrophobicContact CB-CG1 4.49Å; P188-V260 HydrophobicContact CG-CG1 4.13Å; C234-V260 HydrophobicContact CB-CG2 3.39Å; L258-V260 PolarHBondContact O-N 3.47Å; V260-P262 VanDerWaalsContact O-CD 3.27Å; V260-P262 WeakPolarHBondContact O-CD 3.5Å; V260-R265 PolarHBondContact O-NH2 2.83Å |
| 261 | D | 93.5 | Very high | 96.5 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -71.5 | 114.2 | 174.3 | -174.7 | -13.1 | 0 | 0 | 0 | 109.7 | K263 L264 R265 | D261-K263 PolarHBondContact O-N 3.5Å; D261-K263 VanDerWaalsContact O-N 3.16Å; D261-K263 WeakPolarHBondContact OD1-CB 3.46Å; D261-K263 PolarHBondContact OD1-N 2.81Å; D261-L264 HydrophobicContact CB-CB 4.31Å; D261-L264 HydrophobicContact CB-CD1 4.08Å; D261-L264 HydrophobicContact CB-CG 4.09Å; D261-L264 PolarHBondContact O-N 3.48Å; D261-R265 PolarHBondContact O-N 2.97Å |
| 262 | P | 94.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 50.3 Ų | 50.3 | 25% | 0.253 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.2 | -179.8 | 24.8 | -34.3 | 0 | 0 | 0 | 112.7 | T199 V260 L264 R265 | T199-P262 VanDerWaalsContact OG1-CB 3.27Å; T199-P262 WeakPolarHBondContact OG1-CB 3.31Å; V260-P262 VanDerWaalsContact O-CD 3.27Å; V260-P262 WeakPolarHBondContact O-CD 3.5Å; P262-L264 VanDerWaalsContact C-N 3.29Å; P262-L264 PolarHBondContact O-N 2.68Å; P262-R265 WeakPolarHBondContact O-CB 3.46Å; P262-R265 PolarHBondContact O-N 3.19Å |
| 263 | K | 95 | Very high | 96.5 | Very high | 174 Ų | 174 | 52.9 Ų | 52.9 | 76% | 0.757 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -26.6 | 178.3 | -62.1 | -177.6 | 179.2 | -177.2 | 0 | 113 | D261 | D261-K263 PolarHBondContact O-N 3.5Å; D261-K263 VanDerWaalsContact O-N 3.16Å; D261-K263 WeakPolarHBondContact OD1-CB 3.46Å; D261-K263 PolarHBondContact OD1-N 2.81Å |
| 264 | L | 96.8 | Very high | 96.4 | Very high | 108 Ų | 108 | 54.2 Ų | 54.2 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -9.7 | 178.3 | -58.8 | -179.6 | 0 | 0 | 0 | 112.4 | M259 D261 P262 | M259-L264 HydrophobicContact CB-CB 4.47Å; M259-L264 HydrophobicContact CE-CB 3.72Å; M259-L264 HydrophobicContact CE-CD1 3.84Å; M259-L264 HydrophobicContact CE-CG 4.45Å; D261-L264 HydrophobicContact CB-CB 4.31Å; D261-L264 HydrophobicContact CB-CD1 4.08Å; D261-L264 HydrophobicContact CB-CG 4.09Å; D261-L264 PolarHBondContact O-N 3.48Å; P262-L264 VanDerWaalsContact C-N 3.29Å; P262-L264 PolarHBondContact O-N 2.68Å |
| 265 | R | 97.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -69.8 | 132 | -179.1 | -161.9 | 178.1 | -60.1 | 143.5 | 4.2 | 110.6 | E189 T199 L202 L257 M259 V260 D261 P262 I267 | E189-R265 IonicContact OE1-CZ 2.68Å; E189-R265 IonicContact OE1-NH1 3.59Å; E189-R265 PolarHBondContact OE1-NH1 3.37Å; E189-R265 IonicContact OE1-NH2 3.96Å; E189-R265 PolarHBondContact OE1-NH2 2.78Å; E189-R265 IonicContact OE2-CZ 2.66Å; E189-R265 IonicContact OE2-NH1 3.11Å; E189-R265 IonicContact OE2-NH2 3.79Å; E189-R265 PolarHBondContact OE2-NH2 2.96Å; T199-R265 WeakPolarHBondContact O-CD 3.48Å; T199-R265 PolarHBondContact O-NH1 3.39Å; T199-R265 PolarHBondContact OG1-NH1 3.25Å; L202-R265 HydrophobicContact CB-CG 4.25Å; L257-R265 WeakPolarHBondContact O-CD 3.28Å; L257-R265 VanDerWaalsContact O-CG 3.27Å; L257-R265 WeakPolarHBondContact O-CG 3.37Å; M259-R265 HydrophobicContact CB-CB 4.16Å; M259-R265 HydrophobicContact CB-CG 4.42Å; M259-R265 PolarHBondContact O-NE 3.36Å; M259-R265 PolarHBondContact O-NH2 3.37Å; M259-R265 VanDerWaalsContact O-NH2 3.12Å; V260-R265 PolarHBondContact O-NH2 2.83Å; D261-R265 PolarHBondContact O-N 2.97Å; P262-R265 WeakPolarHBondContact O-CB 3.46Å; P262-R265 PolarHBondContact O-N 3.19Å; R265-I267 PolarHBondContact O-N 2.87Å |
| 266 | I | 97.9 | Very high | 96.2 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 133.5 | -177.3 | -165.6 | 169.5 | 0 | 0 | 0 | 111.2 | L202 H256 L257 H270 L271 | L202-I266 WeakPolarHBondContact CD1-O 3.5Å; L202-I266 WeakPolarHBondContact CG-O 3.21Å; H256-I266 HydrophobicContact CB-CB 3.96Å; H256-I266 HydrophobicContact CB-CD1 4.35Å; H256-I266 HydrophobicContact CB-CG2 3.82Å; H256-I266 PolarHBondContact O-N 2.98Å; H256-I266 VanDerWaalsContact O-N 3.11Å; L257-I266 HydrophobicContact CD2-CG2 3.73Å; L257-I266 HydrophobicContact CG-CG2 3.92Å; I266-H270 HydrophobicContact CD1-CB 4.26Å; I266-H270 HydrophobicContact CG1-CB 3.86Å; I266-L271 HydrophobicContact CD1-CB 4.06Å; I266-L271 HydrophobicContact CD1-CD1 4.3Å; I266-L271 HydrophobicContact CG1-CB 4.18Å; I266-L271 HydrophobicContact CG2-CD1 4.44Å |
| 267 | I | 96.7 | Very high | 96 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 158 | 175.2 | 60.7 | 164.9 | 0 | 0 | 0 | 111.2 | R265 P269 H270 L271 | R265-I267 PolarHBondContact O-N 2.87Å; I267-P269 HydrophobicContact CD1-CG 4.5Å; I267-H270 WeakPolarHBondContact CD1-ND1 3.49Å; I267-H270 HydrophobicContact CG1-CB 4.47Å; I267-H270 WeakPolarHBondContact CG1-ND1 3.36Å; I267-H270 PolarHBondContact O-N 2.88Å; I267-L271 PolarHBondContact O-N 3.44Å |
| 268 | T | 96.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.1 | -39 | -171.5 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | V127 I130 R131 L202 H270 L271 L272 | V127-T268 HydrophobicContact CG1-CG2 4.13Å; I130-T268 HydrophobicContact CG2-CG2 4.28Å; R131-T268 HydrophobicContact CB-CG2 4.14Å; R131-T268 WeakPolarHBondContact CB-OG1 3.38Å; R131-T268 WeakPolarHBondContact CG-OG1 3.32Å; L202-T268 HydrophobicContact CD1-CG2 3.73Å; T268-H270 PolarHBondContact O-N 3.35Å; T268-L271 PolarHBondContact O-N 2.98Å; T268-L272 WeakPolarHBondContact O-CG 3.37Å; T268-L272 PolarHBondContact O-N 2.98Å |
| 269 | P | 94.2 | Very high | 94.9 | Very high | 57 Ų | 57 | 59 Ų | 59 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 176.7 | -22.6 | 35.9 | 0 | 0 | 0 | 113.4 | I267 N273 | I267-P269 HydrophobicContact CD1-CG 4.5Å; P269-N273 PolarHBondContact O-N 2.74Å; P269-N273 PolarHBondContact O-ND2 2.97Å |
| 270 | H | 96.6 | Very high | 93.2 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -73.5 | -38.3 | 177.2 | -65.7 | 102.7 | 0 | 0 | 0 | 111.1 | I266 I267 T268 L272 N273 H274 | I266-H270 HydrophobicContact CD1-CB 4.26Å; I266-H270 HydrophobicContact CG1-CB 3.86Å; I267-H270 WeakPolarHBondContact CD1-ND1 3.49Å; I267-H270 HydrophobicContact CG1-CB 4.47Å; I267-H270 WeakPolarHBondContact CG1-ND1 3.36Å; I267-H270 PolarHBondContact O-N 2.88Å; T268-H270 PolarHBondContact O-N 3.35Å; H270-L272 PolarHBondContact O-N 2.65Å; H270-N273 CarbonylContact O-C 3.44Å; H270-N273 PolarHBondContact O-N 2.74Å; H270-N273 VanDerWaalsContact O-N 3.1Å; H270-H274 PolarHBondContact O-N 2.86Å; H270-H274 VanDerWaalsContact O-N 3.12Å |
| 271 | L | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 176 | 178.5 | 61.6 | 0 | 0 | 0 | 112.4 | F123 V127 V253 L257 I266 I267 T268 N273 H274 F277 | F123-L271 HydrophobicContact CE1-CD2 4.45Å; V127-L271 HydrophobicContact CB-CD2 4.41Å; V127-L271 HydrophobicContact CG1-CD2 3.84Å; V127-L271 HydrophobicContact CG1-CG 4.4Å; V127-L271 HydrophobicContact CG2-CD2 3.59Å; V253-L271 HydrophobicContact CB-CD1 4.48Å; V253-L271 HydrophobicContact CG1-CD1 3.49Å; V253-L271 VanDerWaalsContact CG1-CD1 3.49Å; V253-L271 HydrophobicContact CG2-CD1 4.27Å; L257-L271 HydrophobicContact CD2-CD2 3.94Å; I266-L271 HydrophobicContact CD1-CB 4.06Å; I266-L271 HydrophobicContact CD1-CD1 4.3Å; I266-L271 HydrophobicContact CG1-CB 4.18Å; I266-L271 HydrophobicContact CG2-CD1 4.44Å; I267-L271 PolarHBondContact O-N 3.44Å; T268-L271 PolarHBondContact O-N 2.98Å; L271-N273 PolarHBondContact O-N 2.98Å; L271-H274 WeakPolarHBondContact O-CB 3.4Å; L271-H274 PolarHBondContact O-N 2.97Å; L271-F277 HydrophobicContact CD1-CD2 4.25Å; L271-F277 HydrophobicContact CD1-CE2 3.53Å; L271-F277 HydrophobicContact CD1-CZ 4.08Å; L271-F277 HydrophobicContact CD2-CZ 4.29Å; L271-F277 HydrophobicContact CG-CD2 4.5Å; L271-F277 HydrophobicContact CG-CE2 3.76Å; L271-F277 HydrophobicContact CG-CZ 3.85Å; L271-F277 VanDerWaalsContact O-CD2 3.22Å; L271-F277 WeakPolarHBondContact O-CD2 3.43Å; L271-F277 WeakPolarHBondContact O-CG 3.34Å |
| 272 | L | 95.4 | Very high | 90 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.2 | -21.5 | 176.7 | -71 | 170.8 | 0 | 0 | 0 | 113 | R124 V127 T268 H270 F277 | R124-L272 HydrophobicContact CG-CD2 4.21Å; V127-L272 HydrophobicContact CB-CD2 4.35Å; V127-L272 HydrophobicContact CG1-CD1 4.35Å; V127-L272 HydrophobicContact CG1-CD2 3.72Å; V127-L272 HydrophobicContact CG1-CG 3.81Å; T268-L272 WeakPolarHBondContact O-CG 3.37Å; T268-L272 PolarHBondContact O-N 2.98Å; H270-L272 PolarHBondContact O-N 2.65Å; L272-F277 HydrophobicContact CD2-CD1 3.87Å; L272-F277 HydrophobicContact CD2-CE1 3.86Å; L272-F277 WeakPolarHBondContact O-CB 3.25Å |
| 273 | N | 95.6 | Very high | 88.6 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.9 | 174.7 | -73.3 | -59.8 | 0 | 0 | 0 | 113.7 | P269 H270 L271 I278 | P269-N273 PolarHBondContact O-N 2.74Å; P269-N273 PolarHBondContact O-ND2 2.97Å; H270-N273 CarbonylContact O-C 3.44Å; H270-N273 PolarHBondContact O-N 2.74Å; H270-N273 VanDerWaalsContact O-N 3.1Å; L271-N273 PolarHBondContact O-N 2.98Å; N273-I278 HydrophobicContact CB-CD1 4.43Å; N273-I278 WeakPolarHBondContact O-CD1 3.24Å |
| 274 | H | 96.4 | Very high | 87.7 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -67.4 | 148.6 | 179.7 | -172.3 | -94.9 | 0 | 0 | 0 | 111.1 | N249 D252 V253 H270 L271 W276 F277 I278 | N249-H274 PolarHBondContact O-CE1 3.19Å; D252-H274 IonicContact OD2-CE1 3.7Å; D252-H274 IonicContact OD2-NE2 2.9Å; D252-H274 PolarHBondContact OD2-NE2 2.85Å; D252-H274 VanDerWaalsContact OD2-NE2 3.08Å; V253-H274 HydrophobicContact CG2-CB 4.32Å; V253-H274 VanDerWaalsContact CG2-CE1 3.49Å; V253-H274 WeakPolarHBondContact CG2-CE1 3.25Å; V253-H274 WeakPolarHBondContact CG2-ND1 3.43Å; H270-H274 PolarHBondContact O-N 2.86Å; H270-H274 VanDerWaalsContact O-N 3.12Å; L271-H274 WeakPolarHBondContact O-CB 3.4Å; L271-H274 PolarHBondContact O-N 2.97Å; H274-W276 PolarHBondContact ND1-N 2.78Å; H274-W276 VanDerWaalsContact ND1-N 3.13Å; H274-W276 PolarHBondContact O-N 3.16Å; H274-W276 VanDerWaalsContact O-N 3.08Å; H274-F277 HydrophobicContact CB-CD2 4.4Å; H274-F277 WeakPolarHBondContact O-CB 3.14Å; H274-F277 PolarHBondContact O-N 3.17Å; H274-I278 PolarHBondContact O-N 3.37Å; H274-I278 VanDerWaalsContact O-N 3.17Å |
| 275 | S | 94.8 | Very high | 87.2 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.6 | -33 | -178 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | F277 M279 | S275-F277 VanDerWaalsContact C-N 3.3Å; S275-F277 PolarHBondContact O-N 3.18Å; S275-M279 WeakPolarHBondContact O-CA 3.35Å; S275-M279 WeakPolarHBondContact O-CB 3.32Å; S275-M279 VanDerWaalsContact O-CG 3.27Å; S275-M279 WeakPolarHBondContact O-CG 3.29Å; S275-M279 PolarHBondContact O-N 3.15Å |
| 276 | W | 95 | Very high | 86.8 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.011 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -31.5 | 174.5 | -167 | 59.3 | 0 | 0 | 0 | 113.9 | E116 V119 L120 F123 L209 L213 N249 A250 V253 H274 | E116-W276 PolarHBondContact OE2-NE1 3.45Å; V119-W276 HydrophobicContact CG1-CH2 4.21Å; L120-W276 HydrophobicContact CB-CH2 3.84Å; L120-W276 HydrophobicContact CB-CZ2 3.81Å; L120-W276 HydrophobicContact CB-CZ3 4.41Å; L120-W276 HydrophobicContact CD1-CD2 4.07Å; L120-W276 HydrophobicContact CD1-CE3 3.64Å; L120-W276 HydrophobicContact CD1-CH2 3.9Å; L120-W276 HydrophobicContact CD1-CZ2 4.31Å; L120-W276 HydrophobicContact CD1-CZ3 3.56Å; L120-W276 WeakPolarHBondContact CD2-O 3.26Å; L120-W276 HydrophobicContact CG-CH2 4.47Å; F123-W276 AromaticContact CD1-CZ3 3.91Å; F123-W276 HydrophobicContact CD1-CZ3 3.91Å; L209-W276 HydrophobicContact CD1-CH2 3.7Å; L209-W276 HydrophobicContact CD1-CZ3 4.01Å; L209-W276 HydrophobicContact CD2-CZ3 4.1Å; L213-W276 HydrophobicContact CD2-CZ2 4.22Å; N249-W276 HydrophobicContact CB-CB 3.88Å; N249-W276 HydrophobicContact CB-CG 4.32Å; A250-W276 HydrophobicContact CB-CD2 4.17Å; A250-W276 HydrophobicContact CB-CG 4.24Å; A250-W276 HydrophobicContact CB-CZ2 4.18Å; V253-W276 HydrophobicContact CB-CE3 4.38Å; V253-W276 HydrophobicContact CG1-CE3 4.4Å; V253-W276 HydrophobicContact CG2-CB 3.75Å; V253-W276 HydrophobicContact CG2-CD2 4.41Å; V253-W276 HydrophobicContact CG2-CE3 4Å; V253-W276 HydrophobicContact CG2-CG 4.36Å; H274-W276 PolarHBondContact ND1-N 2.78Å; H274-W276 VanDerWaalsContact ND1-N 3.13Å; H274-W276 PolarHBondContact O-N 3.16Å; H274-W276 VanDerWaalsContact O-N 3.08Å |
| 277 | F | 94.3 | Very high | 86.5 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -82.7 | -34.5 | 179.5 | -83.3 | -108.4 | 0 | 0 | 0 | 112.8 | L120 F123 R124 V127 V253 L271 L272 H274 S275 | L120-F277 HydrophobicContact CD1-CD1 4.05Å; L120-F277 HydrophobicContact CD1-CD2 4.22Å; L120-F277 HydrophobicContact CD1-CE1 4.23Å; L120-F277 HydrophobicContact CD1-CE2 4.37Å; L120-F277 HydrophobicContact CD1-CG 4.04Å; L120-F277 HydrophobicContact CD1-CZ 4.38Å; F123-F277 HydrophobicContact CD1-CE2 4.31Å; F123-F277 AromaticContact CD1-CZ 3.64Å; F123-F277 HydrophobicContact CD1-CZ 3.64Å; F123-F277 HydrophobicContact CE1-CE2 4.31Å; F123-F277 AromaticContact CE1-CZ 3.8Å; F123-F277 HydrophobicContact CE1-CZ 3.8Å; R124-F277 HydrophobicContact CB-CD1 4.33Å; R124-F277 HydrophobicContact CB-CE1 4.02Å; R124-F277 HydrophobicContact CG-CD1 4.12Å; R124-F277 HydrophobicContact CG-CE1 4.1Å; V127-F277 HydrophobicContact CB-CE1 4.45Å; V127-F277 HydrophobicContact CG2-CE1 4.3Å; V127-F277 HydrophobicContact CG2-CZ 3.99Å; V253-F277 HydrophobicContact CG1-CE2 4.36Å; V253-F277 HydrophobicContact CG2-CE2 4.46Å; L271-F277 HydrophobicContact CD1-CD2 4.25Å; L271-F277 HydrophobicContact CD1-CE2 3.53Å; L271-F277 HydrophobicContact CD1-CZ 4.08Å; L271-F277 HydrophobicContact CD2-CZ 4.29Å; L271-F277 HydrophobicContact CG-CD2 4.5Å; L271-F277 HydrophobicContact CG-CE2 3.76Å; L271-F277 HydrophobicContact CG-CZ 3.85Å; L271-F277 VanDerWaalsContact O-CD2 3.22Å; L271-F277 WeakPolarHBondContact O-CD2 3.43Å; L271-F277 WeakPolarHBondContact O-CG 3.34Å; L272-F277 HydrophobicContact CD2-CD1 3.87Å; L272-F277 HydrophobicContact CD2-CE1 3.86Å; L272-F277 WeakPolarHBondContact O-CB 3.25Å; H274-F277 HydrophobicContact CB-CD2 4.4Å; H274-F277 WeakPolarHBondContact O-CB 3.14Å; H274-F277 PolarHBondContact O-N 3.17Å; S275-F277 VanDerWaalsContact C-N 3.3Å; S275-F277 PolarHBondContact O-N 3.18Å |
| 278 | I | 91.3 | Very high | 86 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 54% | 0.544 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -90.2 | -41.7 | -176.2 | -56.9 | 177.7 | 0 | 0 | 0 | 111.5 | N273 H274 V280 | N273-I278 HydrophobicContact CB-CD1 4.43Å; N273-I278 WeakPolarHBondContact O-CD1 3.24Å; H274-I278 PolarHBondContact O-N 3.37Å; H274-I278 VanDerWaalsContact O-N 3.17Å; I278-V280 PolarHBondContact O-N 2.93Å |
| 279 | M | 81.2 | Confident | 85.7 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 50% | 0.498 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -76.9 | 118.7 | -179.9 | -59.6 | -176.9 | 173.2 | 0 | 0 | 108.5 | S275 N281 | S275-M279 WeakPolarHBondContact O-CA 3.35Å; S275-M279 WeakPolarHBondContact O-CB 3.32Å; S275-M279 VanDerWaalsContact O-CG 3.27Å; S275-M279 WeakPolarHBondContact O-CG 3.29Å; S275-M279 PolarHBondContact O-N 3.15Å; M279-N281 PolarHBondContact O-N 3.17Å |
| 280 | V | 62.2 | Low | 85.6 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 67% | 0.667 | 33% | 0.334 | S | S | * | . | trans | -70.7 | 83.2 | 168.8 | -175.5 | 0 | 0 | 0 | 0 | 107 | I278 E282 | I278-V280 PolarHBondContact O-N 2.93Å; V280-E282 HydrophobicContact CG1-CG 4.35Å; V280-E282 PolarHBondContact O-N 3.02Å | ||
| 281 | N | 62.2 | Low | 85.4 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | trans | -68.3 | 105.1 | 167.4 | -81.2 | -7.5 | 0 | 0 | 0 | 106.8 | M279 N283 | M279-N281 PolarHBondContact O-N 3.17Å; N281-N283 PolarHBondContact O-N 3.22Å | ||
| 282 | E | 57.8 | Low | 85.2 | Confident | 147 Ų | 147 | 66.3 Ų | 66.3 | 69% | 0.687 | 34% | 0.342 | S | S | * | . | trans | -71.9 | 39.5 | 169.8 | -60.9 | -179.2 | 169.5 | 0 | 0 | 111 | V280 E284 | V280-E282 HydrophobicContact CG1-CG 4.35Å; V280-E282 PolarHBondContact O-N 3.02Å; E282-E284 HydrophobicContact CB-CG 4.28Å; E282-E284 WeakPolarHBondContact O-CG 3.37Å; E282-E284 PolarHBondContact O-N 3.43Å | ||
| 283 | N | 66 | Low | 85.2 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 22% | 0.219 | 34% | 0.342 | C | S | . | . | trans | -70.8 | 80.5 | 166.1 | -167.6 | 5 | 0 | 0 | 0 | 107.4 | N115 E116 S245 N281 Q285 | N115-N283 WeakPolarHBondContact CB-O 3.48Å; E116-N283 PolarHBondContact OE1-ND2 3.38Å; S245-N283 PolarHBondContact O-ND2 3.03Å; N281-N283 PolarHBondContact O-N 3.22Å; N283-Q285 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 284 | E | 76.2 | Confident | 85.1 | Confident | 107 Ų | 107 | 61.4 Ų | 61.4 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | trans | -85.3 | -0 | -178.4 | -61.2 | -163.7 | 151.1 | 0 | 0 | 111.3 | N115 K117 E282 H286 | N115-E284 WeakPolarHBondContact ND2-CA 3.23Å; N115-E284 PolarHBondContact ND2-O 3.22Å; K117-E284 IonicContact NZ-OE1 3.39Å; K117-E284 PolarHBondContact NZ-OE1 3.03Å; E282-E284 HydrophobicContact CB-CG 4.28Å; E282-E284 WeakPolarHBondContact O-CG 3.37Å; E282-E284 PolarHBondContact O-N 3.43Å; E284-H286 PolarHBondContact O-N 3.3Å | ||
| 285 | Q | 85.7 | Confident | 84.9 | Confident | 125 Ų | 125 | 64.9 Ų | 64.9 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | trans | -58.7 | 125.2 | 176.8 | -175.2 | 177.4 | 0.5 | 0 | 0 | 110.2 | N115 N283 L287 | N115-Q285 VanDerWaalsContact CB-O 3.23Å; N115-Q285 WeakPolarHBondContact CB-O 3.4Å; N283-Q285 WeakPolarHBondContact OD1-CB 3.44Å; Q285-L287 PolarHBondContact O-N 3.46Å | ||
| 286 | H | 90.1 | Very high | 84.9 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | trans | -67 | 126.7 | 173.3 | -168.8 | 24.4 | 0 | 0 | 0 | 110.6 | V113 Y114 E284 D288 Q291 | V113-H286 HydrophobicContact CG1-CB 4.45Å; Y114-H286 VanDerWaalsContact CB-CE1 3.46Å; Y114-H286 WeakPolarHBondContact CB-CE1 3.37Å; Y114-H286 PolarHBondContact N-CE1 3.41Å; Y114-H286 PolarHBondContact N-ND1 3.45Å; Y114-H286 CarbonylContact O-C 3.58Å; Y114-H286 WeakPolarHBondContact O-CA 3.17Å; Y114-H286 PolarHBondContact O-ND1 3.11Å; E284-H286 PolarHBondContact O-N 3.3Å; H286-D288 IonicContact CD2-OD1 3.54Å; H286-D288 PolarHBondContact CD2-OD1 3.13Å; H286-D288 IonicContact CG-OD1 3.29Å; H286-D288 IonicContact NE2-OD1 2.8Å; H286-D288 PolarHBondContact NE2-OD1 3.1Å; H286-D288 VanDerWaalsContact NE2-OD1 3.16Å; H286-D288 PolarHBondContact O-N 2.59Å; H286-Q291 PolarHBondContact CE1-OE1 2.82Å; H286-Q291 PolarHBondContact NE2-OE1 3.46Å | ||
| 287 | L | 90.9 | Very high | 84.7 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | trans | -94.4 | 65.6 | 179.6 | -57.4 | 171.9 | 0 | 0 | 0 | 110.4 | Y114 I246 Q285 S289 V290 Q291 | Y114-L287 HydrophobicContact CD1-CB 4.2Å; Y114-L287 PolarHBondContact O-N 2.88Å; I246-L287 HydrophobicContact CD1-CD1 3.58Å; I246-L287 HydrophobicContact CD1-CD2 4.31Å; Q285-L287 PolarHBondContact O-N 3.46Å; L287-S289 VanDerWaalsContact C-N 3.34Å; L287-S289 PolarHBondContact O-N 3.32Å; L287-V290 HydrophobicContact CB-CB 3.87Å; L287-V290 HydrophobicContact CB-CG2 3.9Å; L287-V290 HydrophobicContact CD1-CG2 4.46Å; L287-V290 WeakPolarHBondContact O-CB 3.29Å; L287-V290 PolarHBondContact O-N 3.18Å; L287-Q291 PolarHBondContact O-N 3.1Å | ||
| 288 | D | 87.1 | Confident | 84.6 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -48.7 | -52.7 | -175.4 | -62.8 | -53 | 0 | 0 | 0 | 112.3 | H286 V290 Q291 E292 | H286-D288 IonicContact CD2-OD1 3.54Å; H286-D288 PolarHBondContact CD2-OD1 3.13Å; H286-D288 IonicContact CG-OD1 3.29Å; H286-D288 IonicContact NE2-OD1 2.8Å; H286-D288 PolarHBondContact NE2-OD1 3.1Å; H286-D288 VanDerWaalsContact NE2-OD1 3.16Å; H286-D288 PolarHBondContact O-N 2.59Å; D288-V290 PolarHBondContact O-N 3.09Å; D288-V290 VanDerWaalsContact O-N 3.15Å; D288-Q291 PolarHBondContact O-N 3Å; D288-Q291 VanDerWaalsContact O-N 3.08Å; D288-E292 PolarHBondContact O-N 3.33Å; D288-E292 VanDerWaalsContact O-N 3.09Å |
| 289 | S | 90.9 | Very high | 84.5 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -27.5 | -178.5 | 68 | 0 | 0 | 0 | 0 | 113.8 | L287 K293 | L287-S289 VanDerWaalsContact C-N 3.34Å; L287-S289 PolarHBondContact O-N 3.32Å; S289-K293 VanDerWaalsContact O-CD 3.3Å; S289-K293 WeakPolarHBondContact O-CD 3.34Å; S289-K293 WeakPolarHBondContact O-CG 3.4Å; S289-K293 PolarHBondContact O-N 3.19Å |
| 290 | V | 92 | Very high | 84.7 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.2 | -41.5 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | Y114 L287 D288 K293 L294 | Y114-V290 HydrophobicContact CD1-CB 4.48Å; Y114-V290 HydrophobicContact CD1-CG1 4.2Å; Y114-V290 HydrophobicContact CE1-CB 4.3Å; Y114-V290 HydrophobicContact CE1-CG1 3.56Å; L287-V290 HydrophobicContact CB-CB 3.87Å; L287-V290 HydrophobicContact CB-CG2 3.9Å; L287-V290 HydrophobicContact CD1-CG2 4.46Å; L287-V290 WeakPolarHBondContact O-CB 3.29Å; L287-V290 PolarHBondContact O-N 3.18Å; D288-V290 PolarHBondContact O-N 3.09Å; D288-V290 VanDerWaalsContact O-N 3.15Å; V290-K293 PolarHBondContact O-N 3.42Å; V290-L294 WeakPolarHBondContact O-CB 3.09Å; V290-L294 PolarHBondContact O-N 3.42Å |
| 291 | Q | 92 | Very high | 85.7 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 179.2 | -166.8 | 174.6 | 17.5 | 0 | 0 | 111.7 | T109 F111 Y114 H286 L287 D288 K293 L294 E295 | T109-Q291 PolarHBondContact O-NE2 3.28Å; F111-Q291 PolarHBondContact O-NE2 3.11Å; Y114-Q291 HydrophobicContact CD1-CB 4.48Å; Y114-Q291 HydrophobicContact CG-CB 4.41Å; H286-Q291 PolarHBondContact CE1-OE1 2.82Å; H286-Q291 PolarHBondContact NE2-OE1 3.46Å; L287-Q291 PolarHBondContact O-N 3.1Å; D288-Q291 PolarHBondContact O-N 3Å; D288-Q291 VanDerWaalsContact O-N 3.08Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.15Å; Q291-L294 WeakPolarHBondContact O-CB 3.41Å; Q291-L294 PolarHBondContact O-N 2.86Å; Q291-E295 PolarHBondContact O-N 3.29Å |
| 292 | E | 92.6 | Very high | 86.3 | Confident | 135 Ų | 135 | 61.9 Ų | 61.9 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.5 | -42.8 | 174.5 | -69.7 | -179.8 | 169 | 0 | 0 | 112.2 | D288 L294 E295 H296 | D288-E292 PolarHBondContact O-N 3.33Å; D288-E292 VanDerWaalsContact O-N 3.09Å; E292-L294 VanDerWaalsContact C-N 3.34Å; E292-E295 WeakPolarHBondContact O-CB 3.29Å; E292-E295 PolarHBondContact O-N 3.39Å; E292-H296 PolarHBondContact O-N 2.92Å; E292-H296 VanDerWaalsContact O-N 3.13Å |
| 293 | K | 94.1 | Very high | 87 | Confident | 47 Ų | 47 | 60 Ų | 60 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.7 | -74.5 | 169.8 | 168.1 | -154.4 | 0 | 111.8 | C214 G215 D216 S242 S289 V290 Q291 E295 H296 F297 | C214-K293 WeakPolarHBondContact O-CD 3.22Å; G215-K293 CarbonylContact O-C 3.3Å; G215-K293 WeakPolarHBondContact O-CB 3.47Å; G215-K293 VanDerWaalsContact O-O 3.06Å; D216-K293 VanDerWaalsContact OD2-CD 3.28Å; D216-K293 WeakPolarHBondContact OD2-CD 3.08Å; D216-K293 VanDerWaalsContact OD2-CE 3.28Å; D216-K293 WeakPolarHBondContact OD2-CE 3.18Å; D216-K293 IonicContact OD2-NZ 3.82Å; D216-K293 PolarHBondContact OD2-NZ 2.9Å; S242-K293 PolarHBondContact OG-NZ 3.14Å; S289-K293 VanDerWaalsContact O-CD 3.3Å; S289-K293 WeakPolarHBondContact O-CD 3.34Å; S289-K293 WeakPolarHBondContact O-CG 3.4Å; S289-K293 PolarHBondContact O-N 3.19Å; V290-K293 PolarHBondContact O-N 3.42Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.15Å; K293-E295 VanDerWaalsContact C-N 3.32Å; K293-E295 PolarHBondContact O-N 3.2Å; K293-H296 CarbonylContact O-C 3.58Å; K293-H296 WeakPolarHBondContact O-CA 3.45Å; K293-H296 WeakPolarHBondContact O-CB 3.31Å; K293-H296 PolarHBondContact O-N 2.89Å; K293-H296 VanDerWaalsContact O-N 3.12Å; K293-F297 PolarHBondContact O-N 3.48Å |
| 294 | L | 94.2 | Very high | 87 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 177.8 | -170.2 | 62 | 0 | 0 | 0 | 112.2 | F105 L108 T109 Y114 I211 G215 V290 Q291 E292 F297 N298 | F105-L294 HydrophobicContact CD1-CD1 3.93Å; F105-L294 HydrophobicContact CE1-CD1 4.47Å; L108-L294 HydrophobicContact CB-CD2 3.52Å; L108-L294 HydrophobicContact CD1-CD2 4.27Å; T109-L294 HydrophobicContact CG2-CB 4.16Å; T109-L294 HydrophobicContact CG2-CD2 4.16Å; T109-L294 HydrophobicContact CG2-CG 3.9Å; Y114-L294 HydrophobicContact CE2-CD2 4.49Å; I211-L294 HydrophobicContact CG2-CD1 3.87Å; G215-L294 PolarHBondContact O-N 3.06Å; V290-L294 WeakPolarHBondContact O-CB 3.09Å; V290-L294 PolarHBondContact O-N 3.42Å; Q291-L294 WeakPolarHBondContact O-CB 3.41Å; Q291-L294 PolarHBondContact O-N 2.86Å; E292-L294 VanDerWaalsContact C-N 3.34Å; L294-F297 HydrophobicContact CD1-CD1 4.12Å; L294-F297 PolarHBondContact O-N 3.4Å; L294-N298 WeakPolarHBondContact O-CB 3.41Å; L294-N298 PolarHBondContact O-N 3.1Å; L294-N298 PolarHBondContact O-ND2 3.29Å |
| 295 | E | 93.3 | Very high | 85.8 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | 170.3 | -72.9 | 180 | -177.1 | 0 | 0 | 111.5 | T109 Q291 E292 K293 F297 N298 K299 | T109-E295 VanDerWaalsContact CB-CG 3.44Å; T109-E295 HydrophobicContact CG2-CB 4.27Å; T109-E295 HydrophobicContact CG2-CG 3.5Å; Q291-E295 PolarHBondContact O-N 3.29Å; E292-E295 WeakPolarHBondContact O-CB 3.29Å; E292-E295 PolarHBondContact O-N 3.39Å; K293-E295 VanDerWaalsContact C-N 3.32Å; K293-E295 PolarHBondContact O-N 3.2Å; E295-F297 PolarHBondContact O-N 3.24Å; E295-N298 PolarHBondContact O-N 3.33Å; E295-K299 PolarHBondContact O-N 3.29Å |
| 296 | H | 92.9 | Very high | 83.8 | Confident | 88 Ų | 88 | 60.9 Ų | 60.9 | 41% | 0.407 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.1 | -178.5 | 59.8 | 0 | 0 | 0 | 112.7 | E292 K293 K299 Q300 | E292-H296 PolarHBondContact O-N 2.92Å; E292-H296 VanDerWaalsContact O-N 3.13Å; K293-H296 CarbonylContact O-C 3.58Å; K293-H296 WeakPolarHBondContact O-CA 3.45Å; K293-H296 WeakPolarHBondContact O-CB 3.31Å; K293-H296 PolarHBondContact O-N 2.89Å; K293-H296 VanDerWaalsContact O-N 3.12Å; H296-K299 PolarHBondContact O-N 2.98Å; H296-Q300 PolarHBondContact CD2-NE2 3.46Å; H296-Q300 PolarHBondContact NE2-NE2 3.07Å; H296-Q300 WeakPolarHBondContact O-CG 3.34Å; H296-Q300 PolarHBondContact O-N 2.87Å; H296-Q300 PolarHBondContact O-NE2 2.93Å |
| 297 | F | 92.2 | Very high | 81.6 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 172 | 168.8 | -96.1 | 0 | 0 | 0 | 111.1 | F105 P145 I211 D217 K293 L294 E295 K299 Q300 R301 | F105-F297 HydrophobicContact CD1-CD1 4.45Å; F105-F297 HydrophobicContact CD1-CE1 4Å; F105-F297 HydrophobicContact CE1-CE1 4.39Å; P145-F297 HydrophobicContact CG-CE1 4.03Å; P145-F297 HydrophobicContact CG-CZ 4.07Å; I211-F297 HydrophobicContact CD1-CE2 3.96Å; I211-F297 HydrophobicContact CD1-CZ 3.82Å; I211-F297 HydrophobicContact CG1-CE2 4.46Å; I211-F297 HydrophobicContact CG2-CD1 3.87Å; I211-F297 HydrophobicContact CG2-CD2 4.21Å; I211-F297 HydrophobicContact CG2-CE1 3.84Å; I211-F297 HydrophobicContact CG2-CE2 4.18Å; I211-F297 HydrophobicContact CG2-CG 4.06Å; I211-F297 HydrophobicContact CG2-CZ 4Å; D217-F297 HydrophobicContact CB-CD2 4.23Å; D217-F297 HydrophobicContact CB-CE2 4.21Å; K293-F297 PolarHBondContact O-N 3.48Å; L294-F297 HydrophobicContact CD1-CD1 4.12Å; L294-F297 PolarHBondContact O-N 3.4Å; E295-F297 PolarHBondContact O-N 3.24Å; F297-K299 VanDerWaalsContact C-N 3.3Å; F297-K299 PolarHBondContact O-N 3.39Å; F297-Q300 PolarHBondContact O-N 2.79Å; F297-R301 WeakPolarHBondContact O-CB 3.01Å; F297-R301 PolarHBondContact O-N 2.88Å |
| 298 | N | 91.2 | Very high | 79.6 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 178.6 | -81.9 | -30.4 | 0 | 0 | 0 | 112.8 | F105 T109 L294 E295 R301 S302 | F105-N298 PolarHBondContact O-ND2 2.88Å; T109-N298 WeakPolarHBondContact CG2-ND2 3.1Å; L294-N298 WeakPolarHBondContact O-CB 3.41Å; L294-N298 PolarHBondContact O-N 3.1Å; L294-N298 PolarHBondContact O-ND2 3.29Å; E295-N298 PolarHBondContact O-N 3.33Å; N298-R301 PolarHBondContact OD1-NH2 2.93Å; N298-S302 PolarHBondContact O-N 2.86Å; N298-S302 VanDerWaalsContact O-N 3.1Å; N298-S302 PolarHBondContact O-OG 2.89Å |
| 299 | K | 88.9 | Confident | 77.4 | Confident | 120 Ų | 120 | 67.7 Ų | 67.7 | 52% | 0.522 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.1 | -49.3 | 176.4 | -176.5 | -179.7 | 172.8 | -176.3 | 0 | 112.3 | E295 H296 F297 R301 S302 E303 | E295-K299 PolarHBondContact O-N 3.29Å; H296-K299 PolarHBondContact O-N 2.98Å; F297-K299 VanDerWaalsContact C-N 3.3Å; F297-K299 PolarHBondContact O-N 3.39Å; K299-R301 VanDerWaalsContact C-N 3.29Å; K299-R301 PolarHBondContact O-N 3.46Å; K299-S302 PolarHBondContact O-N 3.44Å; K299-S302 PolarHBondContact O-OG 3.19Å; K299-E303 WeakPolarHBondContact CE-OE1 3.48Å; K299-E303 WeakPolarHBondContact O-CG 3.47Å; K299-E303 PolarHBondContact O-N 3.09Å; K299-E303 VanDerWaalsContact O-N 3.09Å |
| 300 | Q | 85.9 | Confident | 75.2 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 27% | 0.271 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 178.2 | -76.3 | 172.2 | 92.2 | 0 | 0 | 111.7 | H296 F297 S302 E303 N304 | H296-Q300 PolarHBondContact CD2-NE2 3.46Å; H296-Q300 PolarHBondContact NE2-NE2 3.07Å; H296-Q300 WeakPolarHBondContact O-CG 3.34Å; H296-Q300 PolarHBondContact O-N 2.87Å; H296-Q300 PolarHBondContact O-NE2 2.93Å; F297-Q300 PolarHBondContact O-N 2.79Å; Q300-S302 PolarHBondContact O-N 2.95Å; Q300-E303 PolarHBondContact O-N 3.08Å; Q300-N304 WeakPolarHBondContact O-CB 3.17Å; Q300-N304 VanDerWaalsContact O-CG 3.3Å; Q300-N304 PolarHBondContact O-N 2.89Å; Q300-N304 PolarHBondContact O-ND2 3.3Å |
| 301 | R | 83.8 | Confident | 73.1 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 177 | -178 | 171.7 | 67.8 | 79.9 | -0.6 | 110.9 | E103 E146 F297 N298 K299 E303 N304 Y305 | E103-R301 IonicContact OE2-CZ 3.62Å; E103-R301 IonicContact OE2-NH1 2.79Å; E103-R301 PolarHBondContact OE2-NH1 2.81Å; E103-R301 IonicContact OE2-NH2 3.64Å; E103-R301 PolarHBondContact OE2-NH2 2.92Å; E146-R301 VanDerWaalsContact CD-NH1 3.26Å; E146-R301 WeakPolarHBondContact OE1-CD 3.29Å; E146-R301 WeakPolarHBondContact OE1-CG 3.41Å; E146-R301 IonicContact OE1-CZ 3.72Å; E146-R301 IonicContact OE1-NE 2.8Å; E146-R301 IonicContact OE1-NH1 3.16Å; E146-R301 PolarHBondContact OE1-NH1 2.87Å; F297-R301 WeakPolarHBondContact O-CB 3.01Å; F297-R301 PolarHBondContact O-N 2.88Å; N298-R301 PolarHBondContact OD1-NH2 2.93Å; K299-R301 VanDerWaalsContact C-N 3.29Å; K299-R301 PolarHBondContact O-N 3.46Å; R301-E303 VanDerWaalsContact C-N 3.33Å; R301-E303 PolarHBondContact O-N 3.23Å; R301-N304 PolarHBondContact O-N 2.86Å; R301-Y305 HydrophobicContact CG-CD2 4.38Å; R301-Y305 HydrophobicContact CG-CE2 3.79Å; R301-Y305 WeakPolarHBondContact O-CD2 3.34Å; R301-Y305 PolarHBondContact O-N 3.06Å |
| 302 | S | 75.5 | Confident | 71.3 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 43% | 0.427 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.7 | -29.8 | 178.5 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | N298 K299 Q300 | N298-S302 PolarHBondContact O-N 2.86Å; N298-S302 VanDerWaalsContact O-N 3.1Å; N298-S302 PolarHBondContact O-OG 2.89Å; K299-S302 PolarHBondContact O-N 3.44Å; K299-S302 PolarHBondContact O-OG 3.19Å; Q300-S302 PolarHBondContact O-N 2.95Å |
| 303 | E | 72.5 | Confident | 69.4 | Low | 106 Ų | 106 | 81.2 Ų | 81.2 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77.5 | -43.2 | 175.7 | -70.8 | 171.2 | 178.6 | 0 | 0 | 112.3 | K299 Q300 R301 Y305 | K299-E303 WeakPolarHBondContact CE-OE1 3.48Å; K299-E303 WeakPolarHBondContact O-CG 3.47Å; K299-E303 PolarHBondContact O-N 3.09Å; K299-E303 VanDerWaalsContact O-N 3.09Å; Q300-E303 PolarHBondContact O-N 3.08Å; R301-E303 VanDerWaalsContact C-N 3.33Å; R301-E303 PolarHBondContact O-N 3.23Å; E303-Y305 PolarHBondContact O-N 3.12Å |
| 304 | N | 65 | Low | 67.7 | Low | 90 Ų | 90 | 83.9 Ų | 83.9 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.6 | -14.3 | -178.9 | -72.4 | -18.9 | 0 | 0 | 0 | 113.6 | Q300 R301 F306 N307 | Q300-N304 WeakPolarHBondContact O-CB 3.17Å; Q300-N304 VanDerWaalsContact O-CG 3.3Å; Q300-N304 PolarHBondContact O-N 2.89Å; Q300-N304 PolarHBondContact O-ND2 3.3Å; R301-N304 PolarHBondContact O-N 2.86Å; N304-F306 PolarHBondContact O-N 3.25Å; N304-N307 PolarHBondContact O-N 3.3Å |
| 305 | Y | 51.6 | Low | 66.2 | Low | 51 Ų | 51 | 84.4 Ų | 84.4 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -19.5 | 176.9 | -105.6 | -67.4 | 0 | 0 | 0 | 114.7 | P18 E146 R301 E303 | P18-Y305 HydrophobicContact CG-CD1 4.18Å; E146-Y305 HydrophobicContact CG-CE2 3.99Å; E146-Y305 WeakPolarHBondContact CG-OH 3.31Å; E146-Y305 WeakPolarHBondContact OE1-CE2 3.39Å; E146-Y305 VanDerWaalsContact OE1-CZ 3.23Å; E146-Y305 PolarHBondContact OE1-OH 3.15Å; E146-Y305 PolarHBondContact OE2-OH 3.44Å; R301-Y305 HydrophobicContact CG-CD2 4.38Å; R301-Y305 HydrophobicContact CG-CE2 3.79Å; R301-Y305 WeakPolarHBondContact O-CD2 3.34Å; R301-Y305 PolarHBondContact O-N 3.06Å; E303-Y305 PolarHBondContact O-N 3.12Å |
| 306 | F | 43.4 | Very low | 64.7 | Low | 151 Ų | 151 | 81.7 Ų | 81.7 | 66% | 0.662 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -7 | 180 | -67.6 | -79.9 | 0 | 0 | 0 | 114.6 | P18 N304 | P18-F306 HydrophobicContact CG-CE1 4.25Å; P18-F306 HydrophobicContact CG-CZ 4.41Å; N304-F306 PolarHBondContact O-N 3.25Å |
| 307 | N | 42.9 | Very low | 63.3 | Low | 122 Ų | 122 | 81.2 Ų | 81.2 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | trans | -106.1 | 9.5 | -170.9 | -74 | -18.2 | 0 | 0 | 0 | 115 | N304 E309 | N304-N307 PolarHBondContact O-N 3.3Å; N307-E309 PolarHBondContact O-N 3.28Å | ||
| 308 | I | 48.9 | Very low | 62 | Low | 57 Ų | 57 | 83.6 Ų | 83.6 | 29% | 0.292 | 40% | 0.402 | S | S | . | . | trans | -78.9 | 36.6 | -176.3 | -42.3 | 178.6 | 0 | 0 | 0 | 112.1 | I19 L181 | I19-I308 HydrophobicContact CD1-CB 4.21Å; L181-I308 HydrophobicContact CD2-CG2 3.65Å | ||
| 309 | E | 41 | Very low | 61 | Low | 117 Ų | 117 | 83.7 Ų | 83.7 | 55% | 0.547 | 40% | 0.402 | S | S | . | . | trans | -100.7 | 6 | -169.9 | -139.1 | 171.1 | -157 | 0 | 0 | 115 | N307 | N307-E309 PolarHBondContact O-N 3.28Š| ||
| 310 | Y | 44.7 | Very low | 60 | Low | 213 Ų | 213 | 82 Ų | 82 | 84% | 0.835 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -144.8 | 23.1 | -167.8 | -95 | -81.4 | 0 | 0 | 0 | 120.3 | ||
| 311 | E | 49.5 | Very low | 59.2 | Low | 98 Ų | 98 | 86 Ų | 86 | 46% | 0.458 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -131.1 | 25.8 | 174.5 | -70.5 | -165 | 163.4 | 0 | 0 | 115.6 | G224 | G224-E311 VanDerWaalsContact CA-OE2 3.24Å; G224-E311 WeakPolarHBondContact CA-OE2 3.36Å; G224-E311 PolarHBondContact N-OE1 2.7Å; G224-E311 PolarHBondContact N-OE2 3.31Å |
| 312 | Q | 53.4 | Low | 58.5 | Low | 45 Ų | 45 | 85.8 Ų | 85.8 | 21% | 0.21 | 42% | 0.419 | C | S | . | . | trans | -92.2 | -29.5 | -168.4 | -69.4 | 179.3 | 3.4 | 0 | 0 | 115.6 | C180 L181 W314 T316 | C180-Q312 HydrophobicContact CB-CG 4.17Å; L181-Q312 VanDerWaalsContact CD2-NE2 3.27Å; Q312-W314 PolarHBondContact O-N 3.48Å; Q312-T316 WeakPolarHBondContact O-CB 3.31Å; Q312-T316 PolarHBondContact O-N 3.06Å; Q312-T316 PolarHBondContact O-OG1 3.45Å | ||
| 313 | D | 53.4 | Low | 58 | Low | 135 Ų | 135 | 85.3 Ų | 85.3 | 72% | 0.722 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.7 | -45.2 | -161.3 | -75.7 | -4.1 | 0 | 0 | 0 | 113.8 | T316 C317 | D313-T316 PolarHBondContact O-N 3.4Å; D313-C317 PolarHBondContact O-N 3.01Å; D313-C317 PolarHBondContact O-SG 3.41Å; D313-C317 VanDerWaalsContact O-SG 3.32Å |
| 314 | W | 58 | Low | 57.6 | Low | 103 Ų | 103 | 88.4 Ų | 88.4 | 39% | 0.39 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -70.2 | -45.6 | -174.2 | 74 | -90 | 0 | 0 | 0 | 112.6 | Y228 Q312 T316 C317 E318 | Y228-W314 AromaticContact CD2-CH2 3.94Å; Y228-W314 HydrophobicContact CD2-CH2 3.94Å; Y228-W314 AromaticContact CD2-CZ2 3.68Å; Y228-W314 HydrophobicContact CD2-CZ2 3.68Å; Y228-W314 HydrophobicContact CE2-CH2 4.39Å; Y228-W314 AromaticContact CE2-CZ2 3.8Å; Y228-W314 HydrophobicContact CE2-CZ2 3.8Å; Q312-W314 PolarHBondContact O-N 3.48Å; W314-T316 VanDerWaalsContact C-N 3.32Å; W314-T316 PolarHBondContact O-N 3.11Å; W314-C317 PolarHBondContact O-N 2.74Å; W314-E318 PolarHBondContact O-N 3.32Å; W314-E318 VanDerWaalsContact O-N 3.13Å |
| 315 | I | 61.7 | Low | 57.2 | Low | 10 Ų | 10 | 89.6 Ų | 89.6 | 5% | 0.051 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.8 | -80.1 | 171.5 | 0 | 0 | 0 | 110.4 | L176 V179 Y228 C317 E318 Y319 | L176-I315 HydrophobicContact CD1-CG2 4.4Å; V179-I315 HydrophobicContact CG1-CG2 3.72Å; Y228-I315 HydrophobicContact CD1-CD1 4.12Å; Y228-I315 HydrophobicContact CD2-CD1 3.66Å; Y228-I315 HydrophobicContact CE1-CD1 3.54Å; Y228-I315 HydrophobicContact CE2-CD1 3.06Å; Y228-I315 HydrophobicContact CE2-CG1 4.44Å; Y228-I315 HydrophobicContact CG-CD1 4.17Å; Y228-I315 WeakPolarHBondContact OH-CD1 3.22Å; I315-C317 PolarHBondContact O-N 3.33Å; I315-E318 PolarHBondContact O-N 3.33Å; I315-Y319 WeakPolarHBondContact O-CA 3.38Å; I315-Y319 WeakPolarHBondContact O-CB 3.49Å; I315-Y319 PolarHBondContact O-N 2.81Å |
| 316 | T | 62.5 | Low | 57 | Low | 43 Ų | 43 | 91 Ų | 91 | 26% | 0.264 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58 | -43.3 | 178.2 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | L176 Q312 D313 W314 V320 | L176-T316 HydrophobicContact CD1-CG2 4.42Å; L176-T316 HydrophobicContact CD2-CG2 3.85Å; Q312-T316 WeakPolarHBondContact O-CB 3.31Å; Q312-T316 PolarHBondContact O-N 3.06Å; Q312-T316 PolarHBondContact O-OG1 3.45Å; D313-T316 PolarHBondContact O-N 3.4Å; W314-T316 VanDerWaalsContact C-N 3.32Å; W314-T316 PolarHBondContact O-N 3.11Å; T316-V320 HydrophobicContact CG2-CG2 4.32Å; T316-V320 VanDerWaalsContact O-CB 3.27Å; T316-V320 WeakPolarHBondContact O-CB 3.39Å; T316-V320 WeakPolarHBondContact O-CG2 3.43Å; T316-V320 PolarHBondContact O-N 3.37Å |
| 317 | C | 62.6 | Low | 57 | Low | 79 Ų | 79 | 93 Ų | 93 | 53% | 0.534 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.9 | -73.4 | 0 | 0 | 0 | 0 | 113.5 | D313 W314 I315 K321 | D313-C317 PolarHBondContact O-N 3.01Å; D313-C317 PolarHBondContact O-SG 3.41Å; D313-C317 VanDerWaalsContact O-SG 3.32Å; W314-C317 PolarHBondContact O-N 2.74Å; I315-C317 PolarHBondContact O-N 3.33Å; C317-K321 WeakPolarHBondContact O-CE 3.15Å; C317-K321 WeakPolarHBondContact O-CG 3.48Å |
| 318 | E | 66.3 | Low | 56.6 | Low | 63 Ų | 63 | 93.9 Ų | 93.9 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -79.8 | -42.3 | -178.3 | -65.6 | -48.5 | 128.9 | 0 | 0 | 112.9 | W314 I315 V320 K321 | W314-E318 PolarHBondContact O-N 3.32Å; W314-E318 VanDerWaalsContact O-N 3.13Å; I315-E318 PolarHBondContact O-N 3.33Å; E318-V320 VanDerWaalsContact C-N 3.26Å; E318-V320 PolarHBondContact O-N 2.69Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 3.12Å; E318-K321 IonicContact OE1-NZ 2.73Å; E318-K321 PolarHBondContact OE1-NZ 3.21Å; E318-K321 WeakPolarHBondContact OE2-CD 3.42Å; E318-K321 IonicContact OE2-NZ 3.86Å; E318-K321 PolarHBondContact OE2-NZ 3.29Å |
| 319 | Y | 68.7 | Low | 55.7 | Low | 6 Ų | 6 | 97 Ų | 97 | 2% | 0.024 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.7 | -33.7 | -178.8 | -165.9 | -106.1 | 0 | 0 | 0 | 112.3 | D175 L176 V179 L190 R194 I315 K321 L322 | D175-Y319 HydrophobicContact CB-CE1 4.02Å; D175-Y319 VanDerWaalsContact CB-OH 3.31Å; D175-Y319 WeakPolarHBondContact CB-OH 3.1Å; L176-Y319 HydrophobicContact CB-CD1 3.8Å; L176-Y319 HydrophobicContact CB-CE1 4.06Å; L176-Y319 HydrophobicContact CD1-CD1 3.65Å; L176-Y319 HydrophobicContact CD1-CG 4.09Å; L176-Y319 HydrophobicContact CG-CD1 4.32Å; V179-Y319 HydrophobicContact CG2-CE2 4.23Å; L190-Y319 WeakPolarHBondContact O-CE2 3.28Å; L190-Y319 PolarHBondContact O-OH 3.34Å; R194-Y319 HydrophobicContact CG-CE1 4.28Å; R194-Y319 HydrophobicContact CG-CE2 4.32Å; R194-Y319 VanDerWaalsContact CZ-O 3.24Å; R194-Y319 PolarHBondContact NE-O 3.5Å; R194-Y319 VanDerWaalsContact NH2-CD1 3.32Å; R194-Y319 PolarHBondContact NH2-O 3.46Å; I315-Y319 WeakPolarHBondContact O-CA 3.38Å; I315-Y319 WeakPolarHBondContact O-CB 3.49Å; I315-Y319 PolarHBondContact O-N 2.81Å; Y319-K321 PolarHBondContact O-N 3.21Å; Y319-L322 HydrophobicContact CD2-CD1 3.58Å; Y319-L322 HydrophobicContact CE2-CD1 3.72Å; Y319-L322 HydrophobicContact CG-CD1 4.47Å; Y319-L322 WeakPolarHBondContact O-CB 3.47Å; Y319-L322 PolarHBondContact O-N 3.35Å |
| 320 | V | 68.7 | Low | 55.3 | Low | 84 Ų | 84 | 96 Ų | 96 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.4 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | L176 T316 E318 | L176-V320 HydrophobicContact CD2-CG2 4.39Å; T316-V320 HydrophobicContact CG2-CG2 4.32Å; T316-V320 VanDerWaalsContact O-CB 3.27Å; T316-V320 WeakPolarHBondContact O-CB 3.39Å; T316-V320 WeakPolarHBondContact O-CG2 3.43Å; T316-V320 PolarHBondContact O-N 3.37Å; E318-V320 VanDerWaalsContact C-N 3.26Å; E318-V320 PolarHBondContact O-N 2.69Å |
| 321 | K | 69.9 | Low | 54.4 | Low | 143 Ų | 143 | 94 Ų | 94 | 62% | 0.622 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -18.5 | 175.5 | -60.8 | 171.2 | -168.4 | 170 | 0 | 113.1 | C317 E318 Y319 | C317-K321 WeakPolarHBondContact O-CE 3.15Å; C317-K321 WeakPolarHBondContact O-CG 3.48Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 3.12Å; E318-K321 IonicContact OE1-NZ 2.73Å; E318-K321 PolarHBondContact OE1-NZ 3.21Å; E318-K321 WeakPolarHBondContact OE2-CD 3.42Å; E318-K321 IonicContact OE2-NZ 3.86Å; E318-K321 PolarHBondContact OE2-NZ 3.29Å; Y319-K321 PolarHBondContact O-N 3.21Å |
| 322 | L | 68.1 | Low | 53.7 | Low | 24 Ų | 24 | 92.2 Ų | 92.2 | 13% | 0.126 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -65.9 | 139.2 | 178.5 | -63.6 | 175.6 | 0 | 0 | 0 | 110.6 | R194 Y319 R324 | R194-L322 WeakPolarHBondContact CD-O 3.36Å; R194-L322 HydrophobicContact CG-CB 3.83Å; R194-L322 HydrophobicContact CG-CD1 4.5Å; R194-L322 PolarHBondContact NE-O 3.18Å; Y319-L322 HydrophobicContact CD2-CD1 3.58Å; Y319-L322 HydrophobicContact CE2-CD1 3.72Å; Y319-L322 HydrophobicContact CG-CD1 4.47Å; Y319-L322 WeakPolarHBondContact O-CB 3.47Å; Y319-L322 PolarHBondContact O-N 3.35Å; L322-R324 PolarHBondContact O-N 2.73Å |
| 323 | P | 64.9 | Low | 52.5 | Low | 51 Ų | 51 | 98.7 Ų | 98.7 | 33% | 0.331 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 131.7 | -179.8 | 22.6 | -28 | 0 | 0 | 0 | 110.3 | R194 R386 | R194-P323 WeakPolarHBondContact CB-O 3.27Å; P323-R386 VanDerWaalsContact CG-NH1 3.31Å |
| 324 | R | 65.5 | Low | 51.5 | Low | 172 Ų | 172 | 96.3 Ų | 96.3 | 65% | 0.649 | 49% | 0.485 | S | S | * | . | B | Isolated β-bridge | trans | -72.9 | 146.1 | 171 | -72.6 | -178.5 | 171.9 | 157 | 1.5 | 109.6 | D173 L322 S326 | D173-R324 IonicContact OD2-CZ 3.8Å; D173-R324 IonicContact OD2-NE 2.67Å; D173-R324 IonicContact OD2-NH2 2.84Å; D173-R324 PolarHBondContact OD2-NH2 2.78Å; L322-R324 PolarHBondContact O-N 2.73Å; R324-S326 PolarHBondContact O-N 3.48Å |
| 325 | R | 56.3 | Low | 50.5 | Low | 115 Ų | 115 | 100.7 Ų | 100.7 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -48.4 | 126.2 | 168.2 | -162.6 | -179.7 | 172.9 | 161.3 | -1.4 | 109.6 | K327 | R325-K327 PolarHBondContact O-N 2.8Š|
| 326 | S | 47 | Very low | 49.1 | Very low | 81 Ų | 81 | 107 Ų | 107 | 57% | 0.566 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 138.7 | 165.1 | 52 | 0 | 0 | 0 | 0 | 107.1 | R324 E328 | R324-S326 PolarHBondContact O-N 3.48Å; S326-E328 PolarHBondContact O-N 3.03Å |
| 327 | K | 42.6 | Very low | 47.7 | Very low | 192 Ų | 192 | 113.2 Ų | 113.2 | 84% | 0.835 | 56% | 0.563 | S | S | * | * | trans | -68.7 | 75.1 | 178.8 | -71.7 | -176.9 | 179.1 | -179.4 | 0 | 109.6 | R325 T329 | R325-K327 PolarHBondContact O-N 2.8Å; K327-T329 PolarHBondContact O-N 2.81Å | ||
| 328 | E | 34.6 | Very low | 46.1 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | trans | -75.9 | 111.5 | 161.3 | -74.9 | -174.5 | 163.4 | 0 | 0 | 106.9 | S326 I330 | S326-E328 PolarHBondContact O-N 3.03Å; E328-I330 PolarHBondContact O-N 2.81Å | ||
| 329 | T | 29.4 | Very low | 44.5 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 76% | 0.755 | 60% | 0.602 | S | S | * | * | trans | -48.5 | 102.7 | 167.5 | -51.3 | 0 | 0 | 0 | 0 | 107.5 | K327 Q331 | K327-T329 PolarHBondContact O-N 2.81Å; T329-Q331 HydrophobicContact CG2-CG 4.41Å; T329-Q331 PolarHBondContact O-N 2.83Å | ||
| 330 | I | 32.6 | Very low | 42.6 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 49% | 0.487 | 64% | 0.64 | S | S | . | * | trans | -60.1 | 99.4 | 155.3 | -61.4 | 175.4 | 0 | 0 | 0 | 103 | E328 T332 | E328-I330 PolarHBondContact O-N 2.81Å; I330-T332 PolarHBondContact O-N 2.8Å | ||
| 331 | Q | 27.6 | Very low | 40.6 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 65% | 0.648 | S | S | * | * | trans | -59.9 | 92.7 | 160.4 | -82 | -178 | -8.2 | 0 | 0 | 104.4 | T329 K333 | T329-Q331 HydrophobicContact CG2-CG 4.41Å; T329-Q331 PolarHBondContact O-N 2.83Å; Q331-K333 PolarHBondContact O-N 2.86Å | ||
| 332 | T | 32.8 | Very low | 38.6 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 38% | 0.38 | 66% | 0.656 | S | S | . | * | trans | -48.8 | 117.6 | 156.2 | 45.1 | 0 | 0 | 0 | 0 | 104.3 | I330 A334 | I330-T332 PolarHBondContact O-N 2.8Å; T332-A334 PolarHBondContact O-N 3Å | ||
| 333 | K | 30.3 | Very low | 36.6 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 79% | 0.787 | 68% | 0.682 | S | S | * | * | trans | -44.2 | 111.7 | 171 | -78.3 | -177.1 | 175.2 | -178.8 | 0 | 106 | Q331 Y335 | Q331-K333 PolarHBondContact O-N 2.86Å; K333-Y335 VanDerWaalsContact C-N 3.31Å; K333-Y335 PolarHBondContact O-N 3.43Å | ||
| 334 | A | 32.5 | Very low | 34.8 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | trans | -60.9 | 107.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 103.7 | T332 D336 | T332-A334 PolarHBondContact O-N 3Å; A334-D336 PolarHBondContact O-N 2.92Å | ||
| 335 | Y | 35 | Very low | 33 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | trans | -66.6 | 96.9 | 165.4 | -87.2 | -87.6 | 0 | 0 | 0 | 105.1 | K333 E337 | K333-Y335 VanDerWaalsContact C-N 3.31Å; K333-Y335 PolarHBondContact O-N 3.43Å; Y335-E337 PolarHBondContact O-N 3.43Å | ||
| 336 | D | 33.5 | Very low | 31.5 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | trans | -59.7 | 113.3 | 166.2 | -90.7 | -31.9 | 0 | 0 | 0 | 107.3 | A334 N338 | A334-D336 PolarHBondContact O-N 2.92Å; D336-N338 PolarHBondContact O-N 3.14Å | ||
| 337 | E | 32.4 | Very low | 30.6 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -64.7 | 82.2 | 164.5 | -71.2 | 175.8 | 174.8 | 0 | 0 | 107.6 | Y335 | Y335-E337 PolarHBondContact O-N 3.43Š|
| 338 | N | 30.4 | Very low | 30.1 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | trans | -171.8 | 69.8 | 165.8 | -85.3 | -34 | 0 | 0 | 0 | 111.1 | D336 | D336-N338 PolarHBondContact O-N 3.14Š| ||
| 339 | V | 32.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 73% | 0.734 | S | S | * | * | trans | -141.3 | 94.7 | 153.2 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 340 | E | 28.4 | Very low | 29.7 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -65.9 | 135.8 | 157.7 | -68.1 | -179.1 | 150.6 | 0 | 0 | 109 | ||||
| 341 | T | 26.1 | Very low | 29.5 | Very low | 112 Ų | 112 | 143 Ų | 143 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | 67.5 | 135.4 | 144 | 51.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 342 | E | 29.1 | Very low | 29.5 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 82.6 | 94.8 | 144.4 | -76.1 | 175.2 | -174.4 | 0 | 0 | 117.8 | ||||
| 343 | T | 25.2 | Very low | 29.3 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | 82.2 | 121.7 | 90 | 52 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 344 | L | 26.4 | Very low | 29.2 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 81.7 | 121.1 | 132.6 | -71.4 | 171 | 0 | 0 | 0 | 120.4 | ||||
| 345 | I | 27.5 | Very low | 29.1 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | 102.2 | 114.7 | 130.2 | -66.3 | 162.1 | 0 | 0 | 0 | 119.2 | ||||
| 346 | D | 26.3 | Very low | 28.6 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 57.5 | 121.3 | 138 | -61.8 | -9.6 | 0 | 0 | 0 | 123.8 | ||||
| 347 | D | 28.4 | Very low | 28.6 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 28.9 | 118.9 | 123.2 | -72.3 | -15.7 | 0 | 0 | 0 | 118.7 | |||||
| 348 | K | 30.5 | Very low | 28.4 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | 178.8 | 133.8 | 116.6 | -96.5 | 159.6 | -172 | 173.5 | 0 | 114.1 | |||||
| 349 | N | 30.5 | Very low | 28.4 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | 75.9 | 104.3 | 139.9 | -70.1 | -7 | 0 | 0 | 0 | 121.7 | ||||
| 350 | C | 25.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | -25.1 | 134.2 | 132.9 | -139 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 351 | N | 28.5 | Very low | 28.6 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | 163.4 | 119.9 | 115.2 | -86.7 | -6.8 | 0 | 0 | 0 | 113.3 | |||||
| 352 | D | 28.7 | Very low | 28.8 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | 51 | 127.8 | 121.7 | -69.3 | -2.4 | 0 | 0 | 0 | 123.7 | |||||
| 353 | N | 28.2 | Very low | 28.9 | Very low | 135 Ų | 135 | 142 Ų | 142 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 98.2 | 108.5 | 131.6 | -69.2 | -24.1 | 0 | 0 | 0 | 122.4 | ||||
| 354 | V | 27.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 43 | 121.8 | 124.8 | -154.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 355 | L | 29.3 | Very low | 29.4 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | 171.2 | 135.5 | 114 | -91.2 | 160 | 0 | 0 | 0 | 112.3 | |||||
| 356 | L | 26.5 | Very low | 29.4 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -81.8 | 151.4 | 176.3 | -70.2 | 155.3 | 0 | 0 | 0 | 111.2 | ||||
| 357 | E | 32.7 | Very low | 29.5 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -154.7 | 142 | 146.9 | -118.3 | 174.7 | -159.1 | 0 | 0 | 111.8 | ||||
| 358 | D | 28.7 | Very low | 29.7 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -82.2 | 157 | -163.6 | -69 | -55.9 | 0 | 0 | 0 | 115.7 | ||||
| 359 | T | 29.9 | Very low | 29.7 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | 143.6 | 121.5 | 111.7 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 360 | S | 31.3 | Very low | 29.9 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 63.3 | 135.4 | 139.5 | 78.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 361 | E | 32.8 | Very low | 30.4 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -159.1 | 153.1 | 27.9 | -70.3 | -177.6 | 142.7 | 0 | 0 | 110.5 | ||||
| 362 | N | 30.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 62.4 | 104 | 147.6 | -65.6 | -30.2 | 0 | 0 | 0 | 119.9 | ||||
| 363 | V | 31.8 | Very low | 31.2 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | 172.2 | 120.9 | 101.3 | 163.8 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 364 | Q | 30.8 | Very low | 31.2 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -65.5 | 167.9 | 175.8 | -79.9 | -112.7 | -22.2 | 0 | 0 | 113.1 | ||||
| 365 | P | 31.5 | Very low | 31.5 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | cis | -149.2 | 161.9 | 29.1 | 29.4 | -3.1 | 0 | 0 | 0 | 120.5 | ||||
| 366 | I | 27.1 | Very low | 31.9 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | trans | 80.8 | 100.9 | 143.6 | -62.1 | 153.8 | 0 | 0 | 0 | 120.5 | ||||
| 367 | D | 28.1 | Very low | 32.2 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 29.8 | 103.3 | 133.6 | -64.1 | -19.6 | 0 | 0 | 0 | 121.2 | ||||
| 368 | Q | 32.2 | Very low | 32.3 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | trans | -147.5 | 109.2 | 143.8 | -72.8 | -169.3 | -17.3 | 0 | 0 | 109.2 | ||||
| 369 | N | 32.1 | Very low | 33 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | trans | 155.2 | 100.2 | 139.2 | -83.8 | -18.4 | 0 | 0 | 0 | 111.4 | ||||
| 370 | D | 33 | Very low | 33.6 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -151.5 | 19.2 | 159.8 | -110.5 | -8.9 | 0 | 0 | 0 | 112.1 | ||
| 371 | S | 37.4 | Very low | 34.1 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -103.7 | -7.6 | -171.4 | 53.2 | 0 | 0 | 0 | 0 | 115.7 | N375 | S371-N375 PolarHBondContact O-ND2 3.23Š|
| 372 | N | 38.5 | Very low | 34.8 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 67% | 0.674 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -89.9 | -35.4 | -174.9 | -81.8 | -4.3 | 0 | 0 | 0 | 114.4 | ||
| 373 | E | 35.4 | Very low | 35.5 | Very low | 157 Ų | 157 | 116.8 Ų | 116.8 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.3 | -31.3 | 179 | -75.9 | -173.7 | 157.1 | 0 | 0 | 112.9 | L377 | E373-L377 PolarHBondContact O-N 3.22Å |
| 374 | M | 28.2 | Very low | 36.2 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 63% | 0.631 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.4 | -30.2 | -179.8 | -133.4 | -174.1 | -67.7 | 0 | 0 | 112.4 | I378 | M374-I378 WeakPolarHBondContact O-CD1 3.46Å; M374-I378 WeakPolarHBondContact O-CG1 3.42Å; M374-I378 PolarHBondContact O-N 3.05Å |
| 375 | N | 33.9 | Very low | 36.9 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 54% | 0.535 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.4 | -37.9 | 177.9 | -75.7 | -26.7 | 0 | 0 | 0 | 112.5 | S371 I378 D379 | S371-N375 PolarHBondContact O-ND2 3.23Å; N375-I378 PolarHBondContact O-N 3.06Å; N375-D379 PolarHBondContact O-N 2.84Å |
| 376 | E | 37.6 | Very low | 37.7 | Very low | 149 Ų | 149 | 113.9 Ų | 113.9 | 70% | 0.696 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.1 | -35.7 | 175.7 | -88.4 | -169.5 | 146.3 | 0 | 0 | 113.1 | T380 | E376-T380 PolarHBondContact O-N 2.82Å; E376-T380 PolarHBondContact O-OG1 3.28Å |
| 377 | L | 32.3 | Very low | 38.7 | Very low | 115 Ų | 115 | 108.5 Ų | 108.5 | 60% | 0.602 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.6 | -32.4 | 177.9 | -92.8 | 145.5 | 0 | 0 | 0 | 113.1 | E373 T380 T381 | E373-L377 PolarHBondContact O-N 3.22Å; L377-T380 PolarHBondContact O-OG1 2.89Å; L377-T381 PolarHBondContact O-N 2.87Å; L377-T381 PolarHBondContact O-OG1 3.45Å |
| 378 | I | 34.5 | Very low | 39.6 | Very low | 104 Ų | 104 | 104.9 Ų | 104.9 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 176.7 | -69.6 | 167 | 0 | 0 | 0 | 111 | M374 N375 S382 | M374-I378 WeakPolarHBondContact O-CD1 3.46Å; M374-I378 WeakPolarHBondContact O-CG1 3.42Å; M374-I378 PolarHBondContact O-N 3.05Å; N375-I378 PolarHBondContact O-N 3.06Å; I378-S382 VanDerWaalsContact O-CB 3.31Å; I378-S382 WeakPolarHBondContact O-CB 3.41Å; I378-S382 PolarHBondContact O-N 3.17Å |
| 379 | D | 44.3 | Very low | 40.5 | Very low | 103 Ų | 103 | 99.1 Ų | 99.1 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 179.3 | -98.1 | -12.5 | 0 | 0 | 0 | 112.2 | N375 T381 S382 D383 | N375-D379 PolarHBondContact O-N 2.84Å; D379-T381 PolarHBondContact O-N 2.85Å; D379-S382 PolarHBondContact O-N 2.81Å; D379-D383 WeakPolarHBondContact O-CB 3.28Å; D379-D383 PolarHBondContact O-N 2.82Å |
| 380 | T | 41.9 | Very low | 41.4 | Very low | 65 Ų | 65 | 94.1 Ų | 94.1 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | -179.5 | 40.6 | 0 | 0 | 0 | 0 | 113.4 | E376 L377 Q384 | E376-T380 PolarHBondContact O-N 2.82Å; E376-T380 PolarHBondContact O-OG1 3.28Å; L377-T380 PolarHBondContact O-OG1 2.89Å; T380-Q384 PolarHBondContact O-N 3.16Å |
| 381 | T | 41.7 | Very low | 42.3 | Very low | 77 Ų | 77 | 92.7 Ų | 92.7 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.6 | -37.3 | 179.6 | -44.5 | 0 | 0 | 0 | 0 | 111.6 | L377 D379 L385 | L377-T381 PolarHBondContact O-N 2.87Å; L377-T381 PolarHBondContact O-OG1 3.45Å; D379-T381 PolarHBondContact O-N 2.85Å; T381-L385 HydrophobicContact CG2-CD1 4.49Å; T381-L385 PolarHBondContact O-N 2.65Å |
| 382 | S | 48.4 | Very low | 43 | Very low | 24 Ų | 24 | 94 Ų | 94 | 17% | 0.168 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.8 | 164.2 | 0 | 0 | 0 | 0 | 112 | I378 D379 L385 R386 | I378-S382 VanDerWaalsContact O-CB 3.31Å; I378-S382 WeakPolarHBondContact O-CB 3.41Å; I378-S382 PolarHBondContact O-N 3.17Å; D379-S382 PolarHBondContact O-N 2.81Å; S382-L385 PolarHBondContact O-N 2.86Å; S382-R386 WeakPolarHBondContact O-CB 3.06Å; S382-R386 VanDerWaalsContact O-CG 3.22Å; S382-R386 WeakPolarHBondContact O-CG 3.25Å; S382-R386 PolarHBondContact O-N 3.44Å; S382-R386 PolarHBondContact OG-NE 3.24Å; S382-R386 PolarHBondContact OG-NH1 3.04Å; S382-R386 PolarHBondContact OG-NH2 3.14Å |
| 383 | D | 44.1 | Very low | 43.6 | Very low | 53 Ų | 53 | 91.6 Ų | 91.6 | 28% | 0.283 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.7 | -35.2 | -179.9 | -74.5 | -12.1 | 0 | 0 | 0 | 112.6 | D379 R386 A387 | D379-D383 WeakPolarHBondContact O-CB 3.28Å; D379-D383 PolarHBondContact O-N 2.82Å; D383-R386 PolarHBondContact O-N 3.4Å; D383-R386 IonicContact OD1-NH1 3Å; D383-A387 VanDerWaalsContact O-CB 3.32Å; D383-A387 WeakPolarHBondContact O-CB 3.47Å; D383-A387 PolarHBondContact O-N 3.39Å |
| 384 | Q | 47.4 | Very low | 44.4 | Very low | 140 Ų | 140 | 85 Ų | 85 | 65% | 0.654 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 172.3 | -87.9 | 172.7 | -14.5 | 0 | 0 | 113 | T380 R386 N388 | T380-Q384 PolarHBondContact O-N 3.16Å; Q384-R386 VanDerWaalsContact C-N 3.3Å; Q384-R386 PolarHBondContact O-N 2.83Å; Q384-N388 WeakPolarHBondContact O-CB 3.32Å; Q384-N388 VanDerWaalsContact O-CG 3.3Å; Q384-N388 PolarHBondContact O-N 3.28Å; Q384-N388 PolarHBondContact O-ND2 3.08Å |
| 385 | L | 44.9 | Very low | 45.5 | Very low | 113 Ų | 113 | 84.6 Ų | 84.6 | 59% | 0.592 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.7 | -33.9 | 174.2 | -79.7 | 162.2 | 0 | 0 | 0 | 112.3 | T381 S382 S389 | T381-L385 HydrophobicContact CG2-CD1 4.49Å; T381-L385 PolarHBondContact O-N 2.65Å; S382-L385 PolarHBondContact O-N 2.86Å; L385-S389 PolarHBondContact O-N 3.41Å; L385-S389 VanDerWaalsContact O-N 3.08Å; L385-S389 PolarHBondContact O-OG 3.33Å |
| 386 | R | 49.3 | Very low | 46.4 | Very low | 97 Ų | 97 | 85.3 Ų | 85.3 | 37% | 0.366 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.1 | -39.7 | 179.1 | -72.9 | 171.1 | -176.6 | 158 | 4 | 113.3 | P323 S382 D383 Q384 N388 S389 L390 | P323-R386 VanDerWaalsContact CG-NH1 3.31Å; S382-R386 WeakPolarHBondContact O-CB 3.06Å; S382-R386 VanDerWaalsContact O-CG 3.22Å; S382-R386 WeakPolarHBondContact O-CG 3.25Å; S382-R386 PolarHBondContact O-N 3.44Å; S382-R386 PolarHBondContact OG-NE 3.24Å; S382-R386 PolarHBondContact OG-NH1 3.04Å; S382-R386 PolarHBondContact OG-NH2 3.14Å; D383-R386 PolarHBondContact O-N 3.4Å; D383-R386 IonicContact OD1-NH1 3Å; Q384-R386 VanDerWaalsContact C-N 3.3Å; Q384-R386 PolarHBondContact O-N 2.83Å; R386-N388 PolarHBondContact O-N 3.2Å; R386-S389 WeakPolarHBondContact O-CA 3.42Å; R386-S389 VanDerWaalsContact O-CB 3.29Å; R386-S389 WeakPolarHBondContact O-CB 3.41Å; R386-S389 PolarHBondContact O-N 2.84Å; R386-L390 PolarHBondContact O-N 3.5Å; R386-L390 VanDerWaalsContact O-N 3.07Å |
| 387 | A | 47.8 | Very low | 46.8 | Very low | 28 Ų | 28 | 83.5 Ų | 83.5 | 23% | 0.231 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | L192 D383 S389 L390 K391 | L192-A387 HydrophobicContact CD1-CB 4.44Å; L192-A387 HydrophobicContact CD2-CB 4.25Å; D383-A387 VanDerWaalsContact O-CB 3.32Å; D383-A387 WeakPolarHBondContact O-CB 3.47Å; D383-A387 PolarHBondContact O-N 3.39Å; A387-S389 VanDerWaalsContact C-N 3.29Å; A387-S389 PolarHBondContact O-N 3.42Å; A387-L390 PolarHBondContact O-N 3.26Å; A387-K391 WeakPolarHBondContact O-CB 3.31Å; A387-K391 PolarHBondContact O-N 3.22Å |
| 388 | N | 46.6 | Very low | 47.7 | Very low | 77 Ų | 77 | 80.9 Ų | 80.9 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.1 | -32 | 170.1 | -77.9 | -23.7 | 0 | 0 | 0 | 112.7 | Q384 R386 K391 N392 | Q384-N388 WeakPolarHBondContact O-CB 3.32Å; Q384-N388 VanDerWaalsContact O-CG 3.3Å; Q384-N388 PolarHBondContact O-N 3.28Å; Q384-N388 PolarHBondContact O-ND2 3.08Å; R386-N388 PolarHBondContact O-N 3.2Å; N388-K391 PolarHBondContact O-N 2.91Å; N388-N392 WeakPolarHBondContact O-CB 3.44Å; N388-N392 PolarHBondContact O-N 3.2Å; N388-N392 PolarHBondContact O-ND2 3.42Å; N388-N392 PolarHBondContact O-OD1 3.27Å |
| 389 | S | 52.4 | Low | 48.1 | Very low | 62 Ų | 62 | 80.7 Ų | 80.7 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | L385 R386 A387 N392 L393 | L385-S389 PolarHBondContact O-N 3.41Å; L385-S389 VanDerWaalsContact O-N 3.08Å; L385-S389 PolarHBondContact O-OG 3.33Å; R386-S389 WeakPolarHBondContact O-CA 3.42Å; R386-S389 VanDerWaalsContact O-CB 3.29Å; R386-S389 WeakPolarHBondContact O-CB 3.41Å; R386-S389 PolarHBondContact O-N 2.84Å; A387-S389 VanDerWaalsContact C-N 3.29Å; A387-S389 PolarHBondContact O-N 3.42Å; S389-N392 PolarHBondContact O-N 2.93Å; S389-L393 VanDerWaalsContact O-CB 3.29Å; S389-L393 WeakPolarHBondContact O-CB 3.13Å; S389-L393 WeakPolarHBondContact O-CD1 3.37Å; S389-L393 VanDerWaalsContact O-CG 3.27Å; S389-L393 WeakPolarHBondContact O-CG 3.38Å; S389-L393 PolarHBondContact O-N 3.47Å |
| 390 | L | 50.4 | Low | 47.8 | Very low | 35 Ų | 35 | 79.6 Ų | 79.6 | 18% | 0.183 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 175.2 | -145.8 | 102.5 | 0 | 0 | 0 | 111.5 | L191 L192 L232 R386 A387 L393 L394 | L191-L390 WeakPolarHBondContact O-CD2 3.14Å; L192-L390 HydrophobicContact CD2-CB 4.26Å; L192-L390 HydrophobicContact CD2-CD2 4.14Å; L232-L390 HydrophobicContact CD1-CD2 4.38Å; R386-L390 PolarHBondContact O-N 3.5Å; R386-L390 VanDerWaalsContact O-N 3.07Å; A387-L390 PolarHBondContact O-N 3.26Å; L390-L393 PolarHBondContact O-N 2.81Å; L390-L394 HydrophobicContact CD2-CD1 4.2Å; L390-L394 WeakPolarHBondContact O-CB 3.49Å; L390-L394 VanDerWaalsContact O-CG 3.27Å; L390-L394 WeakPolarHBondContact O-CG 3.42Å; L390-L394 PolarHBondContact O-N 2.93Å |
| 391 | K | 51.9 | Low | 47.8 | Very low | 123 Ų | 123 | 79.7 Ų | 79.7 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 174 | -170.7 | 178.8 | -179.5 | -177.9 | 0 | 112.1 | A387 N388 H395 | A387-K391 WeakPolarHBondContact O-CB 3.31Å; A387-K391 PolarHBondContact O-N 3.22Å; N388-K391 PolarHBondContact O-N 2.91Å; K391-H395 WeakPolarHBondContact O-CB 3.24Å; K391-H395 PolarHBondContact O-N 2.83Å |
| 392 | N | 52.5 | Low | 47.9 | Very low | 99 Ų | 99 | 80.9 Ų | 80.9 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 175.3 | -71.7 | -13.8 | 0 | 0 | 0 | 111.4 | N388 S389 H395 E396 | N388-N392 WeakPolarHBondContact O-CB 3.44Å; N388-N392 PolarHBondContact O-N 3.2Å; N388-N392 PolarHBondContact O-ND2 3.42Å; N388-N392 PolarHBondContact O-OD1 3.27Å; S389-N392 PolarHBondContact O-N 2.93Å; N392-H395 CarbonylContact O-C 3.49Å; N392-H395 WeakPolarHBondContact O-CA 3.44Å; N392-H395 WeakPolarHBondContact O-CB 3.41Å; N392-H395 PolarHBondContact O-N 3.36Å; N392-E396 PolarHBondContact O-N 2.83Å |
| 393 | L | 51 | Low | 47.4 | Very low | 74 Ų | 74 | 85.2 Ų | 85.2 | 39% | 0.387 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.9 | -40 | 175.8 | -81.5 | 160.9 | 0 | 0 | 0 | 112 | S389 L390 H395 E396 Y397 | S389-L393 VanDerWaalsContact O-CB 3.29Å; S389-L393 WeakPolarHBondContact O-CB 3.13Å; S389-L393 WeakPolarHBondContact O-CD1 3.37Å; S389-L393 VanDerWaalsContact O-CG 3.27Å; S389-L393 WeakPolarHBondContact O-CG 3.38Å; S389-L393 PolarHBondContact O-N 3.47Å; L390-L393 PolarHBondContact O-N 2.81Å; L393-H395 PolarHBondContact O-N 2.91Å; L393-E396 PolarHBondContact O-N 3.27Å; L393-Y397 WeakPolarHBondContact O-CB 3.36Å; L393-Y397 PolarHBondContact O-N 2.87Å |
| 394 | L | 51.9 | Low | 47 | Very low | 20 Ų | 20 | 90.4 Ų | 90.4 | 11% | 0.105 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.9 | -33.2 | 171 | -74.3 | 164.7 | 0 | 0 | 0 | 111.4 | L232 L390 H398 | L232-L394 HydrophobicContact CD1-CD1 3.24Å; L390-L394 HydrophobicContact CD2-CD1 4.2Å; L390-L394 WeakPolarHBondContact O-CB 3.49Å; L390-L394 VanDerWaalsContact O-CG 3.27Å; L390-L394 WeakPolarHBondContact O-CG 3.42Å; L390-L394 PolarHBondContact O-N 2.93Å; L394-H398 PolarHBondContact O-CD2 2.92Å; L394-H398 PolarHBondContact O-N 2.92Å |
| 395 | H | 50.9 | Low | 46.6 | Very low | 118 Ų | 118 | 87.4 Ų | 87.4 | 55% | 0.546 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.3 | -38.6 | 173.9 | -161.3 | 63 | 0 | 0 | 0 | 112.9 | K391 N392 L393 Y397 H398 L399 | K391-H395 WeakPolarHBondContact O-CB 3.24Å; K391-H395 PolarHBondContact O-N 2.83Å; N392-H395 CarbonylContact O-C 3.49Å; N392-H395 WeakPolarHBondContact O-CA 3.44Å; N392-H395 WeakPolarHBondContact O-CB 3.41Å; N392-H395 PolarHBondContact O-N 3.36Å; L393-H395 PolarHBondContact O-N 2.91Å; H395-Y397 VanDerWaalsContact C-N 3.34Å; H395-H398 WeakPolarHBondContact O-CB 3.07Å; H395-H398 PolarHBondContact O-N 2.8Å; H395-L399 PolarHBondContact O-N 3.31Å |
| 396 | E | 52.3 | Low | 46.2 | Very low | 115 Ų | 115 | 87.3 Ų | 87.3 | 54% | 0.537 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 173.1 | -87.3 | -175.8 | 156 | 0 | 0 | 111.8 | N392 L393 H398 L399 L400 | N392-E396 PolarHBondContact O-N 2.83Å; L393-E396 PolarHBondContact O-N 3.27Å; E396-H398 VanDerWaalsContact C-N 3.29Å; E396-H398 PolarHBondContact O-N 3.14Å; E396-L399 WeakPolarHBondContact O-CB 3.32Å; E396-L399 PolarHBondContact O-N 2.89Å; E396-L399 VanDerWaalsContact O-N 3.12Å; E396-L400 WeakPolarHBondContact O-CG 3.46Å; E396-L400 PolarHBondContact O-N 3.43Å |
| 397 | Y | 46.5 | Very low | 45.5 | Very low | 112 Ų | 112 | 90.8 Ų | 90.8 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.3 | -33.4 | 177.5 | -145.2 | -87.9 | 0 | 0 | 0 | 112.1 | L393 H395 L400 D401 | L393-Y397 WeakPolarHBondContact O-CB 3.36Å; L393-Y397 PolarHBondContact O-N 2.87Å; H395-Y397 VanDerWaalsContact C-N 3.34Å; Y397-L400 PolarHBondContact O-N 3.29Å; Y397-D401 VanDerWaalsContact CD1-OD2 3.25Å; Y397-D401 WeakPolarHBondContact CD1-OD2 3.4Å; Y397-D401 WeakPolarHBondContact CE1-OD2 3.27Å; Y397-D401 PolarHBondContact O-N 3.04Å |
| 398 | H | 51.5 | Low | 45.1 | Very low | 60 Ų | 60 | 96 Ų | 96 | 28% | 0.278 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 169.6 | -75.2 | -66.3 | 0 | 0 | 0 | 113.7 | R229 L394 H395 E396 L400 D402 | R229-H398 PolarHBondContact NE-CE1 3.17Å; R229-H398 VanDerWaalsContact NE-CE1 3.31Å; R229-H398 PolarHBondContact NE-NE2 3.28Å; R229-H398 PolarHBondContact NH1-CE1 2.87Å; R229-H398 PolarHBondContact NH2-CE1 2.74Å; R229-H398 PolarHBondContact NH2-NE2 2.86Å; L394-H398 PolarHBondContact O-CD2 2.92Å; L394-H398 PolarHBondContact O-N 2.92Å; H395-H398 WeakPolarHBondContact O-CB 3.07Å; H395-H398 PolarHBondContact O-N 2.8Å; E396-H398 VanDerWaalsContact C-N 3.29Å; E396-H398 PolarHBondContact O-N 3.14Å; H398-L400 PolarHBondContact O-N 3.19Å; H398-D402 WeakPolarHBondContact O-CB 3.49Å; H398-D402 PolarHBondContact O-N 3.18Å |
| 399 | L | 42.1 | Very low | 44.6 | Very low | 99 Ų | 99 | 100.7 Ų | 100.7 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -28.3 | 175.6 | -69 | 166.6 | 0 | 0 | 0 | 111.3 | H395 E396 Q403 | H395-L399 PolarHBondContact O-N 3.31Å; E396-L399 WeakPolarHBondContact O-CB 3.32Å; E396-L399 PolarHBondContact O-N 2.89Å; E396-L399 VanDerWaalsContact O-N 3.12Å; L399-Q403 WeakPolarHBondContact O-CB 3.29Å; L399-Q403 VanDerWaalsContact O-CG 3.29Å; L399-Q403 WeakPolarHBondContact O-CG 3.49Å; L399-Q403 PolarHBondContact O-N 3.49Å |
| 400 | L | 38.2 | Very low | 43.7 | Very low | 81 Ų | 81 | 106 Ų | 106 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.7 | -45 | 176.4 | -71.1 | 165.5 | 0 | 0 | 0 | 112.2 | E396 Y397 H398 Q403 Y404 | E396-L400 WeakPolarHBondContact O-CG 3.46Å; E396-L400 PolarHBondContact O-N 3.43Å; Y397-L400 PolarHBondContact O-N 3.29Å; H398-L400 PolarHBondContact O-N 3.19Å; L400-Q403 PolarHBondContact O-N 2.94Å; L400-Q403 VanDerWaalsContact O-N 3.17Å; L400-Y404 VanDerWaalsContact O-CD2 3.25Å; L400-Y404 WeakPolarHBondContact O-CD2 3.42Å; L400-Y404 PolarHBondContact O-N 2.77Å |
| 401 | D | 42.2 | Very low | 42.7 | Very low | 66 Ų | 66 | 107.8 Ų | 107.8 | 35% | 0.353 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71 | -32 | -179.3 | -77.1 | -21.9 | 0 | 0 | 0 | 113.2 | Y397 Q403 Y404 S405 | Y397-D401 VanDerWaalsContact CD1-OD2 3.25Å; Y397-D401 WeakPolarHBondContact CD1-OD2 3.4Å; Y397-D401 WeakPolarHBondContact CE1-OD2 3.27Å; Y397-D401 PolarHBondContact O-N 3.04Å; D401-Q403 VanDerWaalsContact C-N 3.33Å; D401-Y404 PolarHBondContact O-N 2.58Å; D401-S405 WeakPolarHBondContact O-CB 3.42Å; D401-S405 PolarHBondContact O-N 2.78Å; D401-S405 PolarHBondContact O-OG 2.55Å |
| 402 | D | 43.7 | Very low | 41.7 | Very low | 103 Ų | 103 | 108.2 Ų | 108.2 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68 | -34.5 | 170.4 | -77.6 | -20.6 | 0 | 0 | 0 | 111 | H398 I406 | H398-D402 WeakPolarHBondContact O-CB 3.49Å; H398-D402 PolarHBondContact O-N 3.18Å; D402-I406 WeakPolarHBondContact O-CB 2.85Å; D402-I406 VanDerWaalsContact O-CD1 3.24Å; D402-I406 WeakPolarHBondContact O-CD1 3.41Å; D402-I406 WeakPolarHBondContact O-CG1 3.11Å; D402-I406 PolarHBondContact O-N 3.2Å; D402-I406 VanDerWaalsContact O-N 3.08Å |
| 403 | Q | 38.4 | Very low | 40.8 | Very low | 115 Ų | 115 | 110 Ų | 110 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.6 | -39.7 | 173 | -78 | -173.2 | -5 | 0 | 0 | 112.2 | L399 L400 D401 S405 I406 F407 | L399-Q403 WeakPolarHBondContact O-CB 3.29Å; L399-Q403 VanDerWaalsContact O-CG 3.29Å; L399-Q403 WeakPolarHBondContact O-CG 3.49Å; L399-Q403 PolarHBondContact O-N 3.49Å; L400-Q403 PolarHBondContact O-N 2.94Å; L400-Q403 VanDerWaalsContact O-N 3.17Å; D401-Q403 VanDerWaalsContact C-N 3.33Å; Q403-S405 VanDerWaalsContact C-N 3.31Å; Q403-S405 PolarHBondContact O-N 2.97Å; Q403-I406 PolarHBondContact O-N 3.06Å; Q403-F407 VanDerWaalsContact O-CD2 3.28Å; Q403-F407 WeakPolarHBondContact O-CD2 3.38Å; Q403-F407 PolarHBondContact O-N 2.85Å; Q403-F407 VanDerWaalsContact O-N 3.17Å |
| 404 | Y | 36.1 | Very low | 40 | Very low | 161 Ų | 161 | 114.1 Ų | 114.1 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.8 | -21.6 | 178.6 | -84.7 | -77.9 | 0 | 0 | 0 | 114 | L400 D401 N408 | L400-Y404 VanDerWaalsContact O-CD2 3.25Å; L400-Y404 WeakPolarHBondContact O-CD2 3.42Å; L400-Y404 PolarHBondContact O-N 2.77Å; D401-Y404 PolarHBondContact O-N 2.58Å; Y404-N408 PolarHBondContact O-ND2 2.88Å |
| 405 | S | 37.8 | Very low | 39.2 | Very low | 78 Ų | 78 | 120.5 Ų | 120.5 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -85.7 | -30.4 | 172.8 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | D401 Q403 | D401-S405 WeakPolarHBondContact O-CB 3.42Å; D401-S405 PolarHBondContact O-N 2.78Å; D401-S405 PolarHBondContact O-OG 2.55Å; Q403-S405 VanDerWaalsContact C-N 3.31Å; Q403-S405 PolarHBondContact O-N 2.97Å |
| 406 | I | 37.1 | Very low | 38.3 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 57% | 0.569 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.9 | -26.9 | 175.8 | -66.3 | 165.7 | 0 | 0 | 0 | 111.9 | D402 Q403 N408 | D402-I406 WeakPolarHBondContact O-CB 2.85Å; D402-I406 VanDerWaalsContact O-CD1 3.24Å; D402-I406 WeakPolarHBondContact O-CD1 3.41Å; D402-I406 WeakPolarHBondContact O-CG1 3.11Å; D402-I406 PolarHBondContact O-N 3.2Å; D402-I406 VanDerWaalsContact O-N 3.08Å; Q403-I406 PolarHBondContact O-N 3.06Å; I406-N408 VanDerWaalsContact C-N 3.33Å; I406-N408 PolarHBondContact O-N 3.02Å |
| 407 | F | 34.2 | Very low | 37.3 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -6.7 | 176.8 | -89 | -75.1 | 0 | 0 | 0 | 115.3 | Q403 | Q403-F407 VanDerWaalsContact O-CD2 3.28Å; Q403-F407 WeakPolarHBondContact O-CD2 3.38Å; Q403-F407 PolarHBondContact O-N 2.85Å; Q403-F407 VanDerWaalsContact O-N 3.17Å |
| 408 | N | 39 | Very low | 36.6 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 74% | 0.738 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 0.2 | -178.1 | -77.5 | -39.8 | 0 | 0 | 0 | 115.2 | Y404 I406 | Y404-N408 PolarHBondContact O-ND2 2.88Å; I406-N408 VanDerWaalsContact C-N 3.33Å; I406-N408 PolarHBondContact O-N 3.02Å |
| 409 | E | 37.4 | Very low | 35.9 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 82% | 0.822 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 3 | 179.7 | -74.5 | -164.1 | 156.1 | 0 | 0 | 116.2 | ||
| 410 | Q | 31.9 | Very low | 35.6 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -139.7 | 126.4 | 175.9 | -64.3 | -169.6 | -10.2 | 0 | 0 | 112.6 | ||
| 411 | G | 31.3 | Very low | 35.6 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 69% | 0.693 | S | S | * | * | trans | 126.3 | 41.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118 | N413 | G411-N413 PolarHBondContact O-N 2.9Š| ||
| 412 | T | 30.1 | Very low | 35.4 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -62.5 | 108.1 | 135.2 | 46.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 413 | N | 33.8 | Very low | 35.1 | Very low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | 155.5 | 122.1 | 143.7 | -77 | -20.6 | 0 | 0 | 0 | 113.9 | G411 | G411-N413 PolarHBondContact O-N 2.9Š| ||
| 414 | Q | 34 | Very low | 35.1 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | 57.3 | 108.9 | 137.8 | -68.5 | 179.8 | -53.1 | 0 | 0 | 119.9 | ||||
| 415 | E | 33.9 | Very low | 35.2 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | 79.5 | 114.6 | 93.2 | -80.6 | -174 | 152.1 | 0 | 0 | 116.2 | |||||
| 416 | N | 32.5 | Very low | 35.5 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | trans | 74.4 | 113.9 | 134.8 | -63.8 | -29.4 | 0 | 0 | 0 | 122.7 | ||||
| 417 | L | 31 | Very low | 35.5 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | 75.3 | 148.5 | 121 | -84.1 | 136.1 | 0 | 0 | 0 | 122.6 | |||||
| 418 | E | 33.4 | Very low | 36 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | trans | 96.6 | 131.3 | 160.8 | -61.8 | -169.7 | 176.2 | 0 | 0 | 117.3 | ||||
| 419 | L | 36.7 | Very low | 36.6 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 67% | 0.665 | 79% | 0.786 | S | S | * | * | cis | -169.6 | 147.1 | 5 | -98.5 | 158.4 | 0 | 0 | 0 | 109.9 | ||||
| 420 | D | 35.1 | Very low | 36.6 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | trans | 42.2 | 129.9 | 141.2 | -60.4 | -15.9 | 0 | 0 | 0 | 124.4 | ||||
| 421 | V | 38.5 | Very low | 36.8 | Very low | 150 Ų | 150 | 147 Ų | 147 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | -155.1 | 135.5 | 106.6 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 422 | Q | 37.3 | Very low | 37.1 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | -79.5 | 155 | -169.8 | -62.3 | 164.2 | -29.1 | 0 | 0 | 115.4 | ||||
| 423 | N | 38.5 | Very low | 37.5 | Very low | 140 Ų | 140 | 152.2 Ų | 152.2 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | -175.6 | 110.7 | 116.1 | -91.6 | -11.5 | 0 | 0 | 0 | 113.5 | |||||
| 424 | E | 37.5 | Very low | 37.8 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 51.2 | 103.8 | 134.9 | -65.4 | -177.7 | 163.6 | 0 | 0 | 120 | ||||
| 425 | S | 39 | Very low | 38 | Very low | 101 Ų | 101 | 152.7 Ų | 152.7 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | 67.1 | 124.1 | 89.9 | 70 | 0 | 0 | 0 | 0 | 114 | |||||
| 426 | V | 43.3 | Very low | 38.3 | Very low | 120 Ų | 120 | 152.6 Ų | 152.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | -176.4 | 118.9 | 77.9 | 166.2 | 0 | 0 | 0 | 0 | 105.8 | |||||
| 427 | N | 36.2 | Very low | 38.8 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | 73.5 | 149.5 | 84.9 | -96.4 | 2.9 | 0 | 0 | 0 | 117.9 | |||||
| 428 | E | 45.3 | Very low | 39.4 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | 98.3 | 117.6 | 170.9 | -57.7 | 177.4 | -176.3 | 0 | 0 | 114.6 | ||||
| 429 | E | 52.1 | Low | 40 | Very low | 267 Ų | 267 | 153.8 Ų | 153.8 | 100% | 1.248 | 81% | 0.806 | S | S | * | * | cis | -151 | 0 | 6.6 | -123.3 | -179 | 180 | 0 | 0 | 109.4 |
Retrieved 429 of 429 residues in 153.6 ms
(Link to these results)