| 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 | 37.7 | Very low | 46.8 | Very low | 217 Ų | 217 | 100.6 Ų | 100.6 | 100% | 1.069 | 52% | 0.52 | S | S | * | . | 0 | -38.7 | 0 | -66.2 | -165.4 | -145.8 | 0 | 0 | 114.2 | L3 C4 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.85Å; M1-C4 PolarHBondContact O-N 3.29Å | |||
| 2 | A | 33.2 | Very low | 48 | Very low | 81 Ų | 81 | 103.6 Ų | 103.6 | 67% | 0.669 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.7 | -23 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 3 | L | 31 | Very low | 49.5 | Very low | 151 Ų | 151 | 102.4 Ų | 102.4 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.9 | -29 | 179.4 | -79.5 | 155.4 | 0 | 0 | 0 | 113.5 | M1 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.85Å |
| 4 | C | 44.3 | Very low | 50.9 | Low | 58 Ų | 58 | 97.4 Ų | 97.4 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73 | -39.4 | 179.7 | -168 | 0 | 0 | 0 | 0 | 111.6 | M1 K6 Q7 V8 | M1-C4 PolarHBondContact O-N 3.29Å; C4-K6 PolarHBondContact O-N 3.38Å; C4-Q7 WeakPolarHBondContact O-CB 3.49Å; C4-Q7 PolarHBondContact O-N 3.01Å; C4-Q7 VanDerWaalsContact O-N 3.08Å; C4-V8 WeakPolarHBondContact O-CG2 3.49Å; C4-V8 PolarHBondContact O-N 3.22Å |
| 5 | L | 42.8 | Very low | 52.6 | Low | 57 Ų | 57 | 94.3 Ų | 94.3 | 30% | 0.298 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -36.7 | -176.8 | -70.4 | 171.6 | 0 | 0 | 0 | 113.8 | Q7 V8 F9 H181 | L5-Q7 VanDerWaalsContact C-N 3.28Å; L5-Q7 PolarHBondContact O-N 2.92Å; L5-V8 PolarHBondContact O-N 3.47Å; L5-F9 PolarHBondContact O-N 2.78Å; L5-H181 WeakPolarHBondContact CD2-CE1 3.35Å |
| 6 | K | 47.3 | Very low | 54.6 | Low | 178 Ų | 178 | 91.9 Ų | 91.9 | 77% | 0.774 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.6 | -31.8 | 173.9 | -79.5 | -172.3 | 178.3 | -179.6 | 0 | 112.4 | C4 A10 | C4-K6 PolarHBondContact O-N 3.38Å; K6-A10 WeakPolarHBondContact O-CB 3.5Å; K6-A10 PolarHBondContact O-N 2.62Å |
| 7 | Q | 49.5 | Very low | 56.1 | Low | 134 Ų | 134 | 91.7 Ų | 91.7 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -79.2 | -28.8 | 176 | -82.8 | 179.1 | -19.3 | 0 | 0 | 112.8 | C4 L5 K13 | C4-Q7 WeakPolarHBondContact O-CB 3.49Å; C4-Q7 PolarHBondContact O-N 3.01Å; C4-Q7 VanDerWaalsContact O-N 3.08Å; L5-Q7 VanDerWaalsContact C-N 3.28Å; L5-Q7 PolarHBondContact O-N 2.92Å; Q7-K13 VanDerWaalsContact O-CD 3.23Å; Q7-K13 WeakPolarHBondContact O-CD 3.39Å; Q7-K13 WeakPolarHBondContact O-CE 3.4Å; Q7-K13 PolarHBondContact O-NZ 2.81Å |
| 8 | V | 51.3 | Low | 57.4 | Low | 7 Ų | 7 | 93 Ų | 93 | 4% | 0.042 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -75 | -44 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | C4 L5 T77 M176 A178 | C4-V8 WeakPolarHBondContact O-CG2 3.49Å; C4-V8 PolarHBondContact O-N 3.22Å; L5-V8 PolarHBondContact O-N 3.47Å; V8-T77 HydrophobicContact CG1-CG2 4.02Å; V8-T77 WeakPolarHBondContact O-CG2 3.27Å; V8-M176 HydrophobicContact CG1-CE 4.23Å; V8-M176 HydrophobicContact CG1-SD 4.49Å; V8-M176 HydrophobicContact CG2-CB 4.16Å; V8-A178 HydrophobicContact CG1-CB 4.08Å |
| 9 | F | 61.6 | Low | 58.8 | Low | 52 Ų | 52 | 90.1 Ų | 90.1 | 23% | 0.228 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 32.4 | 179.8 | -62.8 | -73.2 | 0 | 0 | 0 | 113.2 | L5 L73 I74 A178 H181 | L5-F9 PolarHBondContact O-N 2.78Å; F9-L73 HydrophobicContact CB-CD2 4.05Å; F9-L73 HydrophobicContact CD1-CD2 3.63Å; F9-L73 HydrophobicContact CD1-CG 3.86Å; F9-L73 HydrophobicContact CG-CD2 4.33Å; F9-I74 HydrophobicContact CE1-CG1 4.44Å; F9-A178 HydrophobicContact CE2-CB 4.37Å; F9-A178 HydrophobicContact CZ-CB 4.2Å; F9-H181 HydrophobicContact CE1-CB 4.42Å; F9-H181 HydrophobicContact CE2-CB 3.48Å; F9-H181 VanDerWaalsContact CE2-CB 3.48Å; F9-H181 AromaticContact CE2-CD2 3.82Å; F9-H181 AromaticContact CE2-CG 3.43Å; F9-H181 VanDerWaalsContact CE2-CG 3.43Å; F9-H181 AromaticContact CE2-ND1 3.89Å; F9-H181 HydrophobicContact CZ-CB 3.41Å; F9-H181 VanDerWaalsContact CZ-CB 3.41Å; F9-H181 AromaticContact CZ-CG 3.95Å |
| 10 | A | 59.9 | Low | 60 | Low | 20 Ų | 20 | 96.5 Ų | 96.5 | 17% | 0.165 | 47% | 0.473 | C | S | . | . | trans | -67.8 | 142.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | K6 D12 K13 | K6-A10 WeakPolarHBondContact O-CB 3.5Å; K6-A10 PolarHBondContact O-N 2.62Å; A10-D12 WeakPolarHBondContact CB-OD1 3.24Å; A10-D12 PolarHBondContact O-N 2.98Å; A10-D12 VanDerWaalsContact O-N 3.16Å; A10-K13 HydrophobicContact CB-CG 4.48Å; A10-K13 PolarHBondContact O-N 3.23Å | ||
| 11 | K | 55.9 | Low | 61.1 | Low | 152 Ų | 152 | 93.2 Ų | 93.2 | 66% | 0.661 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -62.2 | -25.9 | -172.7 | -72.2 | -179.6 | -179.7 | 174 | 0 | 113 | K13 T14 | K11-K13 VanDerWaalsContact C-N 3.27Å; K11-K13 PolarHBondContact O-N 3.4Å; K11-T14 PolarHBondContact O-OG1 2.88Å; K11-T14 VanDerWaalsContact O-OG1 3.1Å |
| 12 | D | 62 | Low | 63.3 | Low | 136 Ų | 136 | 88.6 Ų | 88.6 | 73% | 0.727 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -71.7 | -14.2 | 175.6 | 54.1 | -56.6 | 0 | 0 | 0 | 113.7 | A10 | A10-D12 WeakPolarHBondContact CB-OD1 3.24Å; A10-D12 PolarHBondContact O-N 2.98Å; A10-D12 VanDerWaalsContact O-N 3.16Å |
| 13 | K | 66.5 | Low | 65.7 | Low | 88 Ų | 88 | 89.8 Ų | 89.8 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -93.5 | 11.9 | 177.9 | -64.5 | -166.2 | 175 | 179 | 0 | 114.8 | Q7 A10 K11 L73 G76 | Q7-K13 VanDerWaalsContact O-CD 3.23Å; Q7-K13 WeakPolarHBondContact O-CD 3.39Å; Q7-K13 WeakPolarHBondContact O-CE 3.4Å; Q7-K13 PolarHBondContact O-NZ 2.81Å; A10-K13 HydrophobicContact CB-CG 4.48Å; A10-K13 PolarHBondContact O-N 3.23Å; K11-K13 VanDerWaalsContact C-N 3.27Å; K11-K13 PolarHBondContact O-N 3.4Å; K13-L73 HydrophobicContact CB-CD1 4.34Å; K13-G76 CarbonylContact O-C 3.5Å; K13-G76 WeakPolarHBondContact O-CA 3.43Å |
| 14 | T | 70.3 | Confident | 68 | Low | 32 Ų | 32 | 86 Ų | 86 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | trans | -75.3 | 136.2 | 176.2 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | K11 R16 L73 | K11-T14 PolarHBondContact O-OG1 2.88Å; K11-T14 VanDerWaalsContact O-OG1 3.1Å; T14-R16 VanDerWaalsContact C-N 3.28Å; T14-R16 WeakPolarHBondContact CB-O 3.25Å; T14-R16 PolarHBondContact O-N 3.03Å; T14-R16 PolarHBondContact OG1-O 3.49Å; T14-R16 VanDerWaalsContact OG1-O 3.14Å; T14-L73 HydrophobicContact CG2-CB 4.07Å; T14-L73 HydrophobicContact CG2-CD1 3.71Å; T14-L73 HydrophobicContact CG2-CG 4.37Å | ||
| 15 | F | 75.6 | Confident | 69.9 | Low | 51 Ų | 51 | 84.8 Ų | 84.8 | 22% | 0.224 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -69 | -29.5 | 179.1 | 176.5 | -102.4 | 0 | 0 | 0 | 112.8 | N72 Y75 A79 A119 M122 | F15-N72 WeakPolarHBondContact CB-OD1 3.17Å; F15-N72 PolarHBondContact N-O 2.9Å; F15-Y75 HydrophobicContact CB-CD1 4.2Å; F15-Y75 HydrophobicContact CD1-CD1 4.23Å; F15-Y75 HydrophobicContact CD2-CD1 4.13Å; F15-Y75 HydrophobicContact CD2-CE1 4Å; F15-Y75 HydrophobicContact CE2-CE1 4.09Å; F15-Y75 AromaticContact CG-CD1 3.92Å; F15-Y75 HydrophobicContact CG-CD1 3.92Å; F15-Y75 HydrophobicContact CG-CE1 4.21Å; F15-Y75 HydrophobicContact CZ-CE1 4.38Å; F15-A79 HydrophobicContact CD2-CB 4.36Å; F15-A119 HydrophobicContact CE1-CB 4.49Å; F15-A119 HydrophobicContact CZ-CB 3.95Å; F15-M122 HydrophobicContact CD1-CB 3.96Å; F15-M122 HydrophobicContact CD1-CG 3.76Å; F15-M122 HydrophobicContact CE1-CB 3.93Å; F15-M122 HydrophobicContact CE1-CG 3.95Å |
| 16 | R | 85.4 | Confident | 71.9 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 21% | 0.211 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -128.8 | 153.2 | 168 | -65 | -64.4 | -179.9 | -109.2 | 8.7 | 111.5 | T14 R18 F68 N72 M122 D123 | T14-R16 VanDerWaalsContact C-N 3.28Å; T14-R16 WeakPolarHBondContact CB-O 3.25Å; T14-R16 PolarHBondContact O-N 3.03Å; T14-R16 PolarHBondContact OG1-O 3.49Å; T14-R16 VanDerWaalsContact OG1-O 3.14Å; R16-R18 PolarHBondContact O-N 3.26Å; R16-F68 HydrophobicContact CB-CZ 4.46Å; R16-N72 WeakPolarHBondContact CB-OD1 3.49Å; R16-N72 PolarHBondContact N-ND2 3.27Å; R16-N72 VanDerWaalsContact N-ND2 3.19Å; R16-N72 PolarHBondContact N-OD1 3.14Å; R16-N72 PolarHBondContact O-ND2 3.35Å; R16-M122 HydrophobicContact CG-CB 3.94Å; R16-D123 IonicContact CZ-OD1 3.96Å; R16-D123 IonicContact NE-OD1 3.39Å; R16-D123 PolarHBondContact NE-OD1 2.9Å; R16-D123 VanDerWaalsContact NH2-CG 3.35Å; R16-D123 IonicContact NH2-OD1 2.77Å; R16-D123 PolarHBondContact NH2-OD1 3.23Å; R16-D123 IonicContact NH2-OD2 3.01Å; R16-D123 PolarHBondContact NH2-OD2 3.29Å |
| 17 | P | 79.3 | Confident | 73.7 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 58% | 0.578 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 132.1 | 177.8 | -25.3 | 34.6 | 0 | 0 | 0 | 112.3 | K19 | P17-K19 PolarHBondContact O-N 3.5Š|
| 18 | R | 79.9 | Confident | 75.4 | Confident | 115 Ų | 115 | 75 Ų | 75 | 43% | 0.434 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 128.1 | 179 | -178.2 | 179 | 173.3 | 172.5 | 2.1 | 111.3 | R16 Y31 N69 | R16-R18 PolarHBondContact O-N 3.26Å; R18-Y31 PolarHBondContact NH2-OH 3.02Å; R18-N69 HydrophobicContact CG-CB 4.33Å |
| 19 | K | 84.2 | Confident | 77.1 | Confident | 38 Ų | 38 | 78.2 Ų | 78.2 | 17% | 0.165 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -74 | 137.5 | 172.6 | -56.1 | -61.2 | 173.4 | 179.6 | 0 | 111.4 | P17 V65 F68 N69 E126 I129 N130 | P17-K19 PolarHBondContact O-N 3.5Å; K19-V65 HydrophobicContact CB-CG1 3.98Å; K19-F68 HydrophobicContact CG-CD1 4.23Å; K19-F68 HydrophobicContact CG-CE1 4.04Å; K19-N69 PolarHBondContact N-OD1 3.35Å; K19-N69 PolarHBondContact O-ND2 3.35Å; K19-E126 WeakPolarHBondContact CE-OE1 3Å; K19-E126 IonicContact NZ-OE1 3.4Å; K19-E126 PolarHBondContact NZ-OE1 3.2Å; K19-I129 HydrophobicContact CD-CD1 4.29Å; K19-I129 HydrophobicContact CG-CD1 3.68Å; K19-N130 WeakPolarHBondContact CE-OD1 3.46Å; K19-N130 PolarHBondContact NZ-ND2 3.42Å; K19-N130 PolarHBondContact NZ-OD1 3.34Å |
| 20 | R | 82.3 | Confident | 78.2 | Confident | 218 Ų | 218 | 75.8 Ų | 75.8 | 82% | 0.823 | 38% | 0.379 | S | S | * | . | trans | -112.8 | 140.2 | -179.1 | -59.6 | -174.8 | -175.4 | -160.3 | 4.8 | 108.6 | ||||
| 21 | F | 83.2 | Confident | 79.6 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 12% | 0.118 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 133 | 166.5 | -61.3 | -78.6 | 0 | 0 | 0 | 108.3 | R27 F28 Y31 V62 V65 | F21-R27 HydrophobicContact CD1-CB 4.36Å; F21-F28 HydrophobicContact CB-CB 4.05Å; F21-F28 HydrophobicContact CB-CD2 3.85Å; F21-F28 HydrophobicContact CB-CG 4.46Å; F21-F28 WeakPolarHBondContact O-CD2 3.34Å; F21-Y31 AromaticContact CD2-CD1 3.65Å; F21-Y31 HydrophobicContact CD2-CD1 3.65Å; F21-Y31 AromaticContact CD2-CD2 3.58Å; F21-Y31 HydrophobicContact CD2-CD2 3.58Å; F21-Y31 HydrophobicContact CD2-CE1 4.12Å; F21-Y31 HydrophobicContact CD2-CE2 4.04Å; F21-Y31 AromaticContact CD2-CG 3.35Å; F21-Y31 HydrophobicContact CD2-CG 3.35Å; F21-Y31 HydrophobicContact CE2-CD1 4.17Å; F21-Y31 AromaticContact CE2-CD2 3.18Å; F21-Y31 HydrophobicContact CE2-CD2 3.18Å; F21-Y31 AromaticContact CE2-CE2 3.64Å; F21-Y31 HydrophobicContact CE2-CE2 3.64Å; F21-Y31 AromaticContact CE2-CG 3.47Å; F21-Y31 HydrophobicContact CE2-CG 3.47Å; F21-Y31 VanDerWaalsContact CE2-CG 3.47Å; F21-Y31 HydrophobicContact CG-CD1 4.46Å; F21-Y31 HydrophobicContact CG-CG 4.17Å; F21-Y31 HydrophobicContact CZ-CD2 4.03Å; F21-Y31 HydrophobicContact CZ-CG 4.35Å; F21-V62 HydrophobicContact CE1-CG2 4.26Å; F21-V62 HydrophobicContact CZ-CG1 4.29Å; F21-V62 WeakPolarHBondContact CZ-O 3.5Å; F21-V65 HydrophobicContact CE1-CB 3.9Å; F21-V65 HydrophobicContact CE1-CG1 3.82Å; F21-V65 HydrophobicContact CE1-CG2 4.5Å; F21-V65 HydrophobicContact CE2-CG1 4.15Å; F21-V65 HydrophobicContact CZ-CB 3.64Å; F21-V65 HydrophobicContact CZ-CG1 3.5Å |
| 22 | E | 83.1 | Confident | 81.1 | Confident | 121 Ų | 121 | 73.6 Ų | 73.6 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 124.1 | -178.1 | -67.8 | -175.8 | 168.8 | 0 | 0 | 111 | T25 F28 | E22-T25 HydrophobicContact CB-CG2 3.78Å; E22-T25 WeakPolarHBondContact O-CB 3.36Å; E22-T25 WeakPolarHBondContact O-CG2 3.36Å; E22-T25 PolarHBondContact O-N 2.92Å; E22-T25 PolarHBondContact O-OG1 3.23Å; E22-F28 WeakPolarHBondContact O-CB 3.35Å |
| 23 | P | 83.8 | Confident | 82.2 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 68% | 0.682 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 141.2 | 178.2 | -25.6 | 35 | 0 | 0 | 0 | 112.6 | T25 F28 | P23-T25 VanDerWaalsContact C-N 3.31Å; P23-F28 HydrophobicContact CB-CE1 4.31Å; P23-F28 HydrophobicContact CB-CZ 4.36Å; P23-F28 HydrophobicContact CG-CE2 4.43Å; P23-F28 HydrophobicContact CG-CZ 4.48Å |
| 24 | G | 80.1 | Confident | 82.9 | Confident | 73 Ų | 73 | 68 Ų | 68 | 75% | 0.753 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -1.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 25 | T | 84.8 | Confident | 83.6 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -88.6 | 155 | 173.2 | 65.4 | 0 | 0 | 0 | 0 | 112.3 | E22 P23 R27 F28 E29 | E22-T25 HydrophobicContact CB-CG2 3.78Å; E22-T25 WeakPolarHBondContact O-CB 3.36Å; E22-T25 WeakPolarHBondContact O-CG2 3.36Å; E22-T25 PolarHBondContact O-N 2.92Å; E22-T25 PolarHBondContact O-OG1 3.23Å; P23-T25 VanDerWaalsContact C-N 3.31Å; T25-R27 VanDerWaalsContact C-N 3.27Å; T25-R27 PolarHBondContact O-N 3.24Å; T25-F28 WeakPolarHBondContact O-CB 3.45Å; T25-F28 PolarHBondContact O-N 2.96Å; T25-F28 VanDerWaalsContact O-N 3.13Å; T25-F28 WeakPolarHBondContact OG1-CB 3.42Å; T25-F28 PolarHBondContact OG1-N 3.24Å; T25-E29 PolarHBondContact O-N 3.08Å; T25-E29 VanDerWaalsContact O-N 3.14Å |
| 26 | Q | 84.5 | Confident | 83.8 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 42% | 0.416 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.3 | -42.6 | 174 | -177.6 | 177.4 | 2.1 | 0 | 0 | 111.6 | F28 E29 L30 E54 | Q26-F28 VanDerWaalsContact C-N 3.32Å; Q26-F28 PolarHBondContact O-N 3.34Å; Q26-E29 PolarHBondContact O-N 2.99Å; Q26-L30 HydrophobicContact CG-CD1 4.31Å; Q26-L30 WeakPolarHBondContact O-CG 3.45Å; Q26-L30 PolarHBondContact O-N 3.38Å; Q26-E54 PolarHBondContact NE2-OE2 3.13Å |
| 27 | R | 84.5 | Confident | 83.4 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 11% | 0.109 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 177.4 | -69.7 | -175.7 | -177.9 | 163.5 | 4 | 112.9 | F21 T25 L30 Y31 D58 V62 F135 P136 | F21-R27 HydrophobicContact CD1-CB 4.36Å; T25-R27 VanDerWaalsContact C-N 3.27Å; T25-R27 PolarHBondContact O-N 3.24Å; R27-L30 PolarHBondContact O-N 3.09Å; R27-Y31 WeakPolarHBondContact O-CB 3.43Å; R27-Y31 PolarHBondContact O-N 2.81Å; R27-D58 IonicContact NE-OD1 3.29Å; R27-D58 PolarHBondContact NE-OD1 2.66Å; R27-D58 IonicContact NH2-OD1 2.85Å; R27-V62 HydrophobicContact CB-CG2 3.85Å; R27-V62 HydrophobicContact CG-CG2 4.08Å; R27-V62 WeakPolarHBondContact O-CG2 3.34Å; R27-F135 PolarHBondContact NH1-O 3.43Å; R27-F135 VanDerWaalsContact NH1-O 3.13Å; R27-P136 PolarHBondContact NH1-O 3.14Å; R27-P136 PolarHBondContact NH2-O 2.77Å |
| 28 | F | 86.2 | Confident | 83.4 | Confident | 46 Ų | 46 | 65.4 Ų | 65.4 | 20% | 0.202 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 174.9 | 176.4 | -99.9 | 0 | 0 | 0 | 112.2 | F21 E22 P23 T25 Q26 Y31 K32 | F21-F28 HydrophobicContact CB-CB 4.05Å; F21-F28 HydrophobicContact CB-CD2 3.85Å; F21-F28 HydrophobicContact CB-CG 4.46Å; F21-F28 WeakPolarHBondContact O-CD2 3.34Å; E22-F28 WeakPolarHBondContact O-CB 3.35Å; P23-F28 HydrophobicContact CB-CE1 4.31Å; P23-F28 HydrophobicContact CB-CZ 4.36Å; P23-F28 HydrophobicContact CG-CE2 4.43Å; P23-F28 HydrophobicContact CG-CZ 4.48Å; T25-F28 WeakPolarHBondContact O-CB 3.45Å; T25-F28 PolarHBondContact O-N 2.96Å; T25-F28 VanDerWaalsContact O-N 3.13Å; T25-F28 WeakPolarHBondContact OG1-CB 3.42Å; T25-F28 PolarHBondContact OG1-N 3.24Å; Q26-F28 VanDerWaalsContact C-N 3.32Å; Q26-F28 PolarHBondContact O-N 3.34Å; F28-Y31 PolarHBondContact O-N 3.17Å; F28-K32 HydrophobicContact CD1-CD 3.82Å; F28-K32 HydrophobicContact CE1-CD 3.3Å; F28-K32 HydrophobicContact CE1-CG 4.29Å; F28-K32 HydrophobicContact CE2-CD 4.42Å; F28-K32 HydrophobicContact CZ-CD 3.64Å; F28-K32 HydrophobicContact CZ-CG 4.31Å; F28-K32 PolarHBondContact O-N 3.4Å |
| 29 | E | 86.4 | Confident | 83.3 | Confident | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 175.5 | -68.3 | -53.1 | 138.6 | 0 | 0 | 112.1 | T25 Q26 Y31 K32 K33 | T25-E29 PolarHBondContact O-N 3.08Å; T25-E29 VanDerWaalsContact O-N 3.14Å; Q26-E29 PolarHBondContact O-N 2.99Å; E29-Y31 PolarHBondContact O-N 3.2Å; E29-K32 VanDerWaalsContact CD-NZ 3.35Å; E29-K32 PolarHBondContact O-N 3.13Å; E29-K32 IonicContact OE1-NZ 3.91Å; E29-K32 PolarHBondContact OE1-NZ 3.31Å; E29-K32 IonicContact OE2-NZ 3.91Å; E29-K32 PolarHBondContact OE2-NZ 3.34Å; E29-K33 WeakPolarHBondContact O-CG 3.35Å; E29-K33 PolarHBondContact O-N 2.72Å |
| 30 | L | 84.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 171.2 | -76.7 | 176.1 | 0 | 0 | 0 | 112 | Q26 R27 K32 K33 A34 E54 D58 W59 V62 | Q26-L30 HydrophobicContact CG-CD1 4.31Å; Q26-L30 WeakPolarHBondContact O-CG 3.45Å; Q26-L30 PolarHBondContact O-N 3.38Å; R27-L30 PolarHBondContact O-N 3.09Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.16Å; L30-K33 PolarHBondContact O-N 2.9Å; L30-A34 PolarHBondContact O-N 2.79Å; L30-E54 HydrophobicContact CD2-CB 4.32Å; L30-E54 VanDerWaalsContact CD2-CD 3.44Å; L30-E54 HydrophobicContact CD2-CG 3.77Å; L30-D58 HydrophobicContact CD1-CB 3.85Å; L30-W59 HydrophobicContact CB-CE3 4.44Å; L30-W59 HydrophobicContact CB-CZ3 4.45Å; L30-W59 HydrophobicContact CD2-CE3 3.99Å; L30-W59 HydrophobicContact CD2-CZ3 4.15Å; L30-V62 HydrophobicContact CB-CG2 3.93Å; L30-V62 HydrophobicContact CD1-CG2 4.4Å |
| 31 | Y | 88.3 | Confident | 82 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 14% | 0.137 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 175.1 | 169.5 | -104.6 | 0 | 0 | 0 | 111.5 | R18 F21 R27 F28 E29 A34 Q35 | R18-Y31 PolarHBondContact NH2-OH 3.02Å; F21-Y31 AromaticContact CD2-CD1 3.65Å; F21-Y31 HydrophobicContact CD2-CD1 3.65Å; F21-Y31 AromaticContact CD2-CD2 3.58Å; F21-Y31 HydrophobicContact CD2-CD2 3.58Å; F21-Y31 HydrophobicContact CD2-CE1 4.12Å; F21-Y31 HydrophobicContact CD2-CE2 4.04Å; F21-Y31 AromaticContact CD2-CG 3.35Å; F21-Y31 HydrophobicContact CD2-CG 3.35Å; F21-Y31 HydrophobicContact CE2-CD1 4.17Å; F21-Y31 AromaticContact CE2-CD2 3.18Å; F21-Y31 HydrophobicContact CE2-CD2 3.18Å; F21-Y31 AromaticContact CE2-CE2 3.64Å; F21-Y31 HydrophobicContact CE2-CE2 3.64Å; F21-Y31 AromaticContact CE2-CG 3.47Å; F21-Y31 HydrophobicContact CE2-CG 3.47Å; F21-Y31 VanDerWaalsContact CE2-CG 3.47Å; F21-Y31 HydrophobicContact CG-CD1 4.46Å; F21-Y31 HydrophobicContact CG-CG 4.17Å; F21-Y31 HydrophobicContact CZ-CD2 4.03Å; F21-Y31 HydrophobicContact CZ-CG 4.35Å; R27-Y31 WeakPolarHBondContact O-CB 3.43Å; R27-Y31 PolarHBondContact O-N 2.81Å; F28-Y31 PolarHBondContact O-N 3.17Å; E29-Y31 PolarHBondContact O-N 3.2Å; Y31-A34 PolarHBondContact O-N 3.14Å; Y31-Q35 HydrophobicContact CD1-CG 4.35Å; Y31-Q35 HydrophobicContact CD2-CG 3.91Å; Y31-Q35 HydrophobicContact CE1-CG 3.94Å; Y31-Q35 HydrophobicContact CE2-CG 3.48Å; Y31-Q35 VanDerWaalsContact CE2-CG 3.48Å; Y31-Q35 HydrophobicContact CG-CG 4.34Å; Y31-Q35 VanDerWaalsContact CZ-CG 3.5Å; Y31-Q35 WeakPolarHBondContact O-CB 3.33Å; Y31-Q35 VanDerWaalsContact O-CG 3.24Å; Y31-Q35 WeakPolarHBondContact O-CG 3.48Å; Y31-Q35 PolarHBondContact O-N 3.15Å |
| 32 | K | 88 | Confident | 81.5 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 176 | -82.2 | 171.2 | 60.4 | -149.4 | 0 | 112.2 | F28 E29 L30 Q35 A36 | F28-K32 HydrophobicContact CD1-CD 3.82Å; F28-K32 HydrophobicContact CE1-CD 3.3Å; F28-K32 HydrophobicContact CE1-CG 4.29Å; F28-K32 HydrophobicContact CE2-CD 4.42Å; F28-K32 HydrophobicContact CZ-CD 3.64Å; F28-K32 HydrophobicContact CZ-CG 4.31Å; F28-K32 PolarHBondContact O-N 3.4Å; E29-K32 VanDerWaalsContact CD-NZ 3.35Å; E29-K32 PolarHBondContact O-N 3.13Å; E29-K32 IonicContact OE1-NZ 3.91Å; E29-K32 PolarHBondContact OE1-NZ 3.31Å; E29-K32 IonicContact OE2-NZ 3.91Å; E29-K32 PolarHBondContact OE2-NZ 3.34Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.16Å; K32-Q35 PolarHBondContact O-N 3.48Å; K32-A36 WeakPolarHBondContact O-CB 3.09Å; K32-A36 PolarHBondContact O-N 3.11Å |
| 33 | K | 84.6 | Confident | 81.6 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 175.1 | -70.5 | 175.5 | -171.9 | -179.7 | 0 | 110.6 | E29 L30 Q35 A36 S37 E54 | E29-K33 WeakPolarHBondContact O-CG 3.35Å; E29-K33 PolarHBondContact O-N 2.72Å; L30-K33 PolarHBondContact O-N 2.9Å; K33-Q35 PolarHBondContact O-N 3.04Å; K33-A36 PolarHBondContact O-N 2.89Å; K33-S37 PolarHBondContact O-N 2.98Å; K33-S37 VanDerWaalsContact O-N 3.09Å; K33-S37 PolarHBondContact O-OG 3.19Å; K33-E54 IonicContact NZ-OE1 2.98Å; K33-E54 PolarHBondContact NZ-OE1 3.5Å |
| 34 | A | 82.5 | Confident | 81.8 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 Y31 S37 L38 W59 | L30-A34 PolarHBondContact O-N 2.79Å; Y31-A34 PolarHBondContact O-N 3.14Å; A34-S37 PolarHBondContact O-N 2.95Å; A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 3.31Å; A34-W59 HydrophobicContact CB-CH2 3.81Å; A34-W59 HydrophobicContact CB-CZ3 4.11Å |
| 35 | Q | 84.3 | Confident | 82.2 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 16% | 0.159 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 179.4 | -70.1 | -65.6 | -51.3 | 0 | 0 | 113.3 | Y31 K32 K33 K39 D66 | Y31-Q35 HydrophobicContact CD1-CG 4.35Å; Y31-Q35 HydrophobicContact CD2-CG 3.91Å; Y31-Q35 HydrophobicContact CE1-CG 3.94Å; Y31-Q35 HydrophobicContact CE2-CG 3.48Å; Y31-Q35 VanDerWaalsContact CE2-CG 3.48Å; Y31-Q35 HydrophobicContact CG-CG 4.34Å; Y31-Q35 VanDerWaalsContact CZ-CG 3.5Å; Y31-Q35 WeakPolarHBondContact O-CB 3.33Å; Y31-Q35 VanDerWaalsContact O-CG 3.24Å; Y31-Q35 WeakPolarHBondContact O-CG 3.48Å; Y31-Q35 PolarHBondContact O-N 3.15Å; K32-Q35 PolarHBondContact O-N 3.48Å; K33-Q35 PolarHBondContact O-N 3.04Å; Q35-K39 VanDerWaalsContact O-CG 3.27Å; Q35-K39 WeakPolarHBondContact O-CG 3.46Å; Q35-K39 PolarHBondContact O-N 3.04Å; Q35-D66 PolarHBondContact NE2-OD1 3.21Å |
| 36 | A | 79.8 | Confident | 82.4 | Confident | 61 Ų | 61 | 63 Ų | 63 | 50% | 0.504 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K32 K33 L38 K39 S40 | K32-A36 WeakPolarHBondContact O-CB 3.09Å; K32-A36 PolarHBondContact O-N 3.11Å; K33-A36 PolarHBondContact O-N 2.89Å; A36-L38 VanDerWaalsContact C-N 3.32Å; A36-L38 PolarHBondContact O-N 3.25Å; A36-K39 PolarHBondContact O-N 3.03Å; A36-K39 VanDerWaalsContact O-N 3.14Å; A36-S40 PolarHBondContact O-N 2.99Å; A36-S40 VanDerWaalsContact O-N 3.12Å; A36-S40 PolarHBondContact O-OG 3.26Å |
| 37 | S | 77.5 | Confident | 82.6 | Confident | 40 Ų | 40 | 59.1 Ų | 59.1 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 113 | K33 A34 K39 S40 | K33-S37 PolarHBondContact O-N 2.98Å; K33-S37 VanDerWaalsContact O-N 3.09Å; K33-S37 PolarHBondContact O-OG 3.19Å; A34-S37 PolarHBondContact O-N 2.95Å; S37-K39 VanDerWaalsContact C-N 3.32Å; S37-K39 PolarHBondContact O-N 2.95Å; S37-S40 PolarHBondContact O-OG 3.46Å |
| 38 | L | 79.2 | Confident | 83.1 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.199 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -33.9 | 174.8 | -175.7 | 62.2 | 0 | 0 | 0 | 112.5 | A34 A36 L44 | A34-L38 WeakPolarHBondContact O-CB 3.47Å; A34-L38 PolarHBondContact O-N 3.31Å; A36-L38 VanDerWaalsContact C-N 3.32Å; A36-L38 PolarHBondContact O-N 3.25Å; L38-L44 HydrophobicContact CD1-CD2 3.28Å |
| 39 | K | 76.7 | Confident | 83.5 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 74% | 0.739 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -83.2 | -20.8 | -177.6 | -72.9 | 173.8 | -176.1 | 179.9 | 0 | 113.9 | Q35 A36 S37 G41 | Q35-K39 VanDerWaalsContact O-CG 3.27Å; Q35-K39 WeakPolarHBondContact O-CG 3.46Å; Q35-K39 PolarHBondContact O-N 3.04Å; A36-K39 PolarHBondContact O-N 3.03Å; A36-K39 VanDerWaalsContact O-N 3.14Å; S37-K39 VanDerWaalsContact C-N 3.32Å; S37-K39 PolarHBondContact O-N 2.95Å; K39-G41 PolarHBondContact O-N 3.31Å |
| 40 | S | 72.1 | Confident | 84 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 55% | 0.545 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -0.2 | -179.1 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | A36 S37 L42 | A36-S40 PolarHBondContact O-N 2.99Å; A36-S40 VanDerWaalsContact O-N 3.12Å; A36-S40 PolarHBondContact O-OG 3.26Å; S37-S40 PolarHBondContact O-OG 3.46Å; S40-L42 PolarHBondContact O-N 2.91Å; S40-L42 VanDerWaalsContact OG-CD1 3.31Å; S40-L42 WeakPolarHBondContact OG-CD1 3.29Å; S40-L42 VanDerWaalsContact OG-CG 3.3Å; S40-L42 WeakPolarHBondContact OG-CG 3.46Å |
| 41 | G | 68.3 | Low | 84.4 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 73% | 0.732 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 16.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K39 | K39-G41 PolarHBondContact O-N 3.31Š|
| 42 | L | 71.6 | Confident | 84.7 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 47% | 0.471 | 38% | 0.376 | S | S | . | . | trans | -61.4 | 152.1 | 173.3 | -70.7 | 169.9 | 0 | 0 | 0 | 111 | S40 L44 V47 | S40-L42 PolarHBondContact O-N 2.91Å; S40-L42 VanDerWaalsContact OG-CD1 3.31Å; S40-L42 WeakPolarHBondContact OG-CD1 3.29Å; S40-L42 VanDerWaalsContact OG-CG 3.3Å; S40-L42 WeakPolarHBondContact OG-CG 3.46Å; L42-L44 PolarHBondContact O-N 2.99Å; L42-V47 HydrophobicContact CB-CG2 3.87Å | ||
| 43 | D | 85.7 | Confident | 85 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | trans | -56.7 | 124.1 | 173.8 | 172 | 39.4 | 0 | 0 | 0 | 109.9 | R45 S46 V47 | D43-R45 PolarHBondContact O-N 3.45Å; D43-R45 VanDerWaalsContact O-N 3.08Å; D43-R45 WeakPolarHBondContact OD2-CB 3.47Å; D43-S46 WeakPolarHBondContact O-CA 3.35Å; D43-S46 WeakPolarHBondContact O-CB 3.43Å; D43-S46 PolarHBondContact O-N 2.82Å; D43-S46 PolarHBondContact O-OG 3.02Å; D43-V47 PolarHBondContact O-N 2.75Å | ||
| 44 | L | 87.6 | Confident | 85.4 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.8 | -26.1 | -174.5 | -70.1 | 173.1 | 0 | 0 | 0 | 112.6 | L38 L42 S46 V47 V48 K187 H188 Y191 | L38-L44 HydrophobicContact CD1-CD2 3.28Å; L42-L44 PolarHBondContact O-N 2.99Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.47Å; L44-V47 PolarHBondContact O-N 2.69Å; L44-V48 WeakPolarHBondContact O-CG1 3.47Å; L44-V48 PolarHBondContact O-N 2.86Å; L44-K187 HydrophobicContact CD1-CB 3.99Å; L44-K187 HydrophobicContact CD1-CD 3.8Å; L44-K187 HydrophobicContact CD1-CG 3.66Å; L44-H188 HydrophobicContact CD2-CB 4.47Å; L44-Y191 HydrophobicContact CB-CD2 3.49Å; L44-Y191 VanDerWaalsContact CB-CD2 3.49Å; L44-Y191 HydrophobicContact CB-CE2 3.75Å |
| 45 | R | 89.7 | Confident | 86 | Confident | 104 Ų | 104 | 68.6 Ų | 68.6 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.5 | -32.6 | 174.5 | -55.7 | 177.1 | 175.4 | -108 | -1.9 | 111.7 | D43 V48 Y191 C215 | D43-R45 PolarHBondContact O-N 3.45Å; D43-R45 VanDerWaalsContact O-N 3.08Å; D43-R45 WeakPolarHBondContact OD2-CB 3.47Å; R45-V48 WeakPolarHBondContact O-CG2 3.41Å; R45-Y191 HydrophobicContact CB-CD2 4.44Å; R45-Y191 HydrophobicContact CG-CD1 4.19Å; R45-Y191 HydrophobicContact CG-CD2 3.6Å; R45-Y191 HydrophobicContact CG-CE1 4.12Å; R45-Y191 HydrophobicContact CG-CE2 3.5Å; R45-Y191 HydrophobicContact CG-CG 3.94Å; R45-Y191 PolarHBondContact NE-OH 2.82Å; R45-C215 PolarHBondContact NH2-O 2.89Å |
| 46 | S | 88.1 | Confident | 86.6 | Confident | 49 Ų | 49 | 70 Ų | 70 | 34% | 0.343 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.1 | -36 | 173.5 | 74.3 | 0 | 0 | 0 | 0 | 112.1 | D43 L44 V48 R49 | D43-S46 WeakPolarHBondContact O-CA 3.35Å; D43-S46 WeakPolarHBondContact O-CB 3.43Å; D43-S46 PolarHBondContact O-N 2.82Å; D43-S46 PolarHBondContact O-OG 3.02Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.47Å; S46-V48 VanDerWaalsContact C-N 3.31Å; S46-V48 PolarHBondContact O-N 3.42Å; S46-R49 PolarHBondContact O-N 3.43Å |
| 47 | V | 88.6 | Confident | 87.4 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.2 | -33.6 | -177 | 175.5 | 0 | 0 | 0 | 0 | 112.4 | L42 D43 L44 | L42-V47 HydrophobicContact CB-CG2 3.87Å; D43-V47 PolarHBondContact O-N 2.75Å; L44-V47 PolarHBondContact O-N 2.69Å |
| 48 | V | 94.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -14.4 | -176.3 | -63 | 0 | 0 | 0 | 0 | 113.9 | L44 R45 S46 W59 F192 E195 F196 | L44-V48 WeakPolarHBondContact O-CG1 3.47Å; L44-V48 PolarHBondContact O-N 2.86Å; R45-V48 WeakPolarHBondContact O-CG2 3.41Å; S46-V48 VanDerWaalsContact C-N 3.31Å; S46-V48 PolarHBondContact O-N 3.42Å; V48-W59 PolarHBondContact O-NE1 3.4Å; V48-F192 HydrophobicContact CB-CB 4.24Å; V48-F192 HydrophobicContact CB-CD2 4.04Å; V48-F192 HydrophobicContact CG1-CB 3.85Å; V48-F192 HydrophobicContact CG1-CD2 4.25Å; V48-E195 HydrophobicContact CG2-CB 4.02Å; V48-E195 HydrophobicContact CG2-CG 4.28Å; V48-F196 VanDerWaalsContact O-CE2 3.28Å; V48-F196 WeakPolarHBondContact O-CE2 3.29Å |
| 49 | R | 95.4 | Very high | 89.1 | Confident | 151 Ų | 151 | 66.4 Ų | 66.4 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -63.3 | 144.6 | -177.2 | -67.8 | -174.7 | 175.8 | 173.4 | -0.3 | 111.2 | S46 P51 W59 | S46-R49 PolarHBondContact O-N 3.43Å; R49-P51 WeakPolarHBondContact O-CD 3.37Å; R49-W59 WeakPolarHBondContact O-CZ2 3.18Å |
| 50 | L | 96.3 | Very high | 90.1 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 122.8 | 172.7 | -179 | 64.9 | 0 | 0 | 0 | 109.3 | E54 I56 W59 F196 | L50-E54 HydrophobicContact CD1-CB 4.05Å; L50-I56 HydrophobicContact CD2-CB 4.11Å; L50-W59 HydrophobicContact CD1-CB 3.48Å; L50-W59 VanDerWaalsContact CD1-CB 3.48Å; L50-W59 HydrophobicContact CD1-CG 3.71Å; L50-F196 HydrophobicContact CB-CE1 4.19Å; L50-F196 HydrophobicContact CB-CZ 4.12Å |
| 51 | P | 94.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 21% | 0.208 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 147.5 | 176.4 | -19.6 | 31.7 | 0 | 0 | 0 | 111.4 | R49 G53 E54 W59 | R49-P51 WeakPolarHBondContact O-CD 3.37Å; P51-G53 PolarHBondContact O-N 3.09Å; P51-E54 HydrophobicContact CB-CG 3.8Å; P51-E54 HydrophobicContact CG-CG 4.21Å; P51-E54 PolarHBondContact O-N 3.35Å; P51-W59 HydrophobicContact CG-CE3 4.35Å; P51-W59 HydrophobicContact CG-CH2 4Å; P51-W59 HydrophobicContact CG-CZ2 4.3Å; P51-W59 HydrophobicContact CG-CZ3 4.05Å |
| 52 | P | 94 | Very high | 92.6 | Very high | 134 Ų | 134 | 51.5 Ų | 51.5 | 87% | 0.87 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 129.4 | -179.3 | -25.3 | 34.2 | 0 | 0 | 0 | 112.4 | E54 | P52-E54 VanDerWaalsContact C-N 3.3Å; P52-E54 PolarHBondContact O-N 2.8Å |
| 53 | G | 93.6 | Very high | 93.9 | Very high | 90 Ų | 90 | 47.3 Ų | 47.3 | 93% | 0.928 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -0.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P51 | P51-G53 PolarHBondContact O-N 3.09Š|
| 54 | E | 94.9 | Very high | 94.5 | Very high | 40 Ų | 40 | 42.9 Ų | 42.9 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | trans | -86.9 | 155.4 | 176.6 | -61.5 | -70.9 | -176 | 0 | 0 | 111.9 | Q26 L30 K33 L50 P51 P52 | Q26-E54 PolarHBondContact NE2-OE2 3.13Å; L30-E54 HydrophobicContact CD2-CB 4.32Å; L30-E54 VanDerWaalsContact CD2-CD 3.44Å; L30-E54 HydrophobicContact CD2-CG 3.77Å; K33-E54 IonicContact NZ-OE1 2.98Å; K33-E54 PolarHBondContact NZ-OE1 3.5Å; L50-E54 HydrophobicContact CD1-CB 4.05Å; P51-E54 HydrophobicContact CB-CG 3.8Å; P51-E54 HydrophobicContact CG-CG 4.21Å; P51-E54 PolarHBondContact O-N 3.35Å; P52-E54 VanDerWaalsContact C-N 3.3Å; P52-E54 PolarHBondContact O-N 2.8Å | ||
| 55 | N | 94.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | trans | -77.3 | 133.9 | 175.3 | -179.5 | -73.7 | 0 | 0 | 0 | 111 | D57 D58 W59 | N55-D57 WeakPolarHBondContact OD1-CA 3.47Å; N55-D57 WeakPolarHBondContact OD1-CB 3.48Å; N55-D57 PolarHBondContact OD1-N 3.31Å; N55-D58 HydrophobicContact CB-CB 4.21Å; N55-D58 PolarHBondContact OD1-N 3.07Å; N55-D58 VanDerWaalsContact OD1-N 3.09Å; N55-W59 PolarHBondContact O-N 3.34Å; N55-W59 VanDerWaalsContact O-N 3.07Å | ||
| 56 | I | 96.7 | Very high | 95.2 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 32% | 0.323 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.9 | -39.8 | -178.2 | -171.2 | 170 | 0 | 0 | 0 | 113.2 | L50 W59 I60 F196 | L50-I56 HydrophobicContact CD2-CB 4.11Å; I56-W59 PolarHBondContact O-N 3.01Å; I56-I60 HydrophobicContact CG1-CD1 3.94Å; I56-I60 HydrophobicContact CG1-CG1 4.46Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.38Å; I56-F196 HydrophobicContact CD1-CD1 4.02Å; I56-F196 HydrophobicContact CD1-CE1 4.24Å; I56-F196 HydrophobicContact CG1-CD1 4.33Å; I56-F196 HydrophobicContact CG1-CE1 4.27Å |
| 57 | D | 97.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 19% | 0.193 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.8 | -37.3 | -178.2 | -66.1 | -30.4 | 0 | 0 | 0 | 110.8 | N55 W59 I60 A61 F143 F147 Q148 | N55-D57 WeakPolarHBondContact OD1-CA 3.47Å; N55-D57 WeakPolarHBondContact OD1-CB 3.48Å; N55-D57 PolarHBondContact OD1-N 3.31Å; D57-W59 VanDerWaalsContact C-N 3.34Å; D57-W59 PolarHBondContact O-N 3.44Å; D57-I60 PolarHBondContact O-N 2.9Å; D57-A61 VanDerWaalsContact O-CB 3.28Å; D57-A61 WeakPolarHBondContact O-CB 3.47Å; D57-A61 PolarHBondContact O-N 3.49Å; D57-F143 HydrophobicContact CB-CB 4.43Å; D57-F143 HydrophobicContact CB-CD2 3.37Å; D57-F143 HydrophobicContact CB-CE2 3.53Å; D57-F143 HydrophobicContact CB-CG 3.88Å; D57-F143 HydrophobicContact CB-CZ 4.13Å; D57-F147 HydrophobicContact CB-CD1 3.69Å; D57-F147 HydrophobicContact CB-CE1 3.77Å; D57-F147 WeakPolarHBondContact O-CE1 3.47Å; D57-Q148 VanDerWaalsContact OD1-CG 3.29Å; D57-Q148 WeakPolarHBondContact OD1-CG 3.23Å; D57-Q148 PolarHBondContact OD1-NE2 3.37Å |
| 58 | D | 95.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 171 | -78.2 | -58.9 | 0 | 0 | 0 | 112.2 | R27 L30 N55 A61 V62 F143 | R27-D58 IonicContact NE-OD1 3.29Å; R27-D58 PolarHBondContact NE-OD1 2.66Å; R27-D58 IonicContact NH2-OD1 2.85Å; L30-D58 HydrophobicContact CD1-CB 3.85Å; N55-D58 HydrophobicContact CB-CB 4.21Å; N55-D58 PolarHBondContact OD1-N 3.07Å; N55-D58 VanDerWaalsContact OD1-N 3.09Å; D58-A61 PolarHBondContact O-N 2.92Å; D58-V62 WeakPolarHBondContact O-CG2 3.29Å; D58-V62 PolarHBondContact O-N 3Å; D58-F143 HydrophobicContact CB-CE2 4.44Å; D58-F143 WeakPolarHBondContact OD1-CE2 3.31Å |
| 59 | W | 96.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.3 | -172.2 | -119 | 0 | 0 | 0 | 112 | L30 A34 V48 R49 L50 P51 N55 I56 D57 V62 H63 F192 F196 | L30-W59 HydrophobicContact CB-CE3 4.44Å; L30-W59 HydrophobicContact CB-CZ3 4.45Å; L30-W59 HydrophobicContact CD2-CE3 3.99Å; L30-W59 HydrophobicContact CD2-CZ3 4.15Å; A34-W59 HydrophobicContact CB-CH2 3.81Å; A34-W59 HydrophobicContact CB-CZ3 4.11Å; V48-W59 PolarHBondContact O-NE1 3.4Å; R49-W59 WeakPolarHBondContact O-CZ2 3.18Å; L50-W59 HydrophobicContact CD1-CB 3.48Å; L50-W59 VanDerWaalsContact CD1-CB 3.48Å; L50-W59 HydrophobicContact CD1-CG 3.71Å; P51-W59 HydrophobicContact CG-CE3 4.35Å; P51-W59 HydrophobicContact CG-CH2 4Å; P51-W59 HydrophobicContact CG-CZ2 4.3Å; P51-W59 HydrophobicContact CG-CZ3 4.05Å; N55-W59 PolarHBondContact O-N 3.34Å; N55-W59 VanDerWaalsContact O-N 3.07Å; I56-W59 PolarHBondContact O-N 3.01Å; D57-W59 VanDerWaalsContact C-N 3.34Å; D57-W59 PolarHBondContact O-N 3.44Å; W59-V62 PolarHBondContact O-N 3.18Å; W59-H63 AromaticContact CD2-CE1 3.54Å; W59-H63 AromaticContact CD2-ND1 3.74Å; W59-H63 AromaticContact CE2-CE1 3.19Å; W59-H63 AromaticContact CE2-ND1 3.73Å; W59-H63 AromaticContact CE3-CE1 3.76Å; W59-H63 AromaticContact CH2-CE1 3.45Å; W59-H63 VanDerWaalsContact CH2-CE1 3.45Å; W59-H63 WeakPolarHBondContact CH2-CE1 3.39Å; W59-H63 AromaticContact CZ2-CE1 3.17Å; W59-H63 WeakPolarHBondContact CZ2-CE1 3.16Å; W59-H63 AromaticContact CZ2-NE2 3.79Å; W59-H63 AromaticContact CZ3-CE1 3.71Å; W59-H63 AromaticContact NE1-CE1 3.75Å; W59-H63 PolarHBondContact O-N 3.3Å; W59-H63 PolarHBondContact O-ND1 2.92Å; W59-F192 AromaticContact NE1-CE2 3.9Å; W59-F196 AromaticContact CD1-CE2 3.72Å; W59-F196 AromaticContact CD1-CZ 3.43Å; W59-F196 VanDerWaalsContact CD1-CZ 3.43Å; W59-F196 AromaticContact NE1-CE2 3.79Å; W59-F196 AromaticContact NE1-CZ 3.69Å |
| 60 | I | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 174.2 | -69.5 | 168.8 | 0 | 0 | 0 | 110.9 | I56 D57 V62 H63 V64 F147 Q148 C151 F192 L198 | I56-I60 HydrophobicContact CG1-CD1 3.94Å; I56-I60 HydrophobicContact CG1-CG1 4.46Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.38Å; D57-I60 PolarHBondContact O-N 2.9Å; I60-V62 VanDerWaalsContact C-N 3.35Å; I60-V62 PolarHBondContact O-N 2.86Å; I60-H63 PolarHBondContact O-N 3.48Å; I60-V64 HydrophobicContact CG2-CG2 4.02Å; I60-V64 WeakPolarHBondContact O-CB 3.46Å; I60-V64 VanDerWaalsContact O-CG2 3.31Å; I60-V64 WeakPolarHBondContact O-CG2 3.5Å; I60-V64 PolarHBondContact O-N 2.83Å; I60-F147 HydrophobicContact CB-CE1 4.35Å; I60-F147 HydrophobicContact CG2-CE1 4.15Å; I60-Q148 HydrophobicContact CD1-CG 4.13Å; I60-C151 HydrophobicContact CG2-CB 3.7Å; I60-F192 HydrophobicContact CB-CZ 4.5Å; I60-F192 HydrophobicContact CG1-CZ 4.08Å; I60-L198 HydrophobicContact CD1-CD1 4.46Å; I60-L198 HydrophobicContact CD1-CD2 4.25Å; I60-L198 HydrophobicContact CG1-CD1 4.37Å; I60-L198 HydrophobicContact CG2-CD1 4.49Å |
| 61 | A | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.1 | -47.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D57 D58 H63 V64 V65 F135 F143 F147 | D57-A61 VanDerWaalsContact O-CB 3.28Å; D57-A61 WeakPolarHBondContact O-CB 3.47Å; D57-A61 PolarHBondContact O-N 3.49Å; D58-A61 PolarHBondContact O-N 2.92Å; A61-H63 VanDerWaalsContact C-N 3.33Å; A61-H63 PolarHBondContact O-N 3.24Å; A61-V64 PolarHBondContact O-N 2.73Å; A61-V65 WeakPolarHBondContact O-CG2 3.27Å; A61-V65 PolarHBondContact O-N 2.82Å; A61-V65 VanDerWaalsContact O-N 3.09Å; A61-F135 HydrophobicContact CB-CD1 4.03Å; A61-F135 HydrophobicContact CB-CE1 4.02Å; A61-F143 HydrophobicContact CB-CE1 3.9Å; A61-F143 HydrophobicContact CB-CZ 3.77Å; A61-F147 HydrophobicContact CB-CZ 3.8Å |
| 62 | V | 95.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 177.4 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | F21 R27 L30 D58 W59 I60 D66 | F21-V62 HydrophobicContact CE1-CG2 4.26Å; F21-V62 HydrophobicContact CZ-CG1 4.29Å; F21-V62 WeakPolarHBondContact CZ-O 3.5Å; R27-V62 HydrophobicContact CB-CG2 3.85Å; R27-V62 HydrophobicContact CG-CG2 4.08Å; R27-V62 WeakPolarHBondContact O-CG2 3.34Å; L30-V62 HydrophobicContact CB-CG2 3.93Å; L30-V62 HydrophobicContact CD1-CG2 4.4Å; D58-V62 WeakPolarHBondContact O-CG2 3.29Å; D58-V62 PolarHBondContact O-N 3Å; W59-V62 PolarHBondContact O-N 3.18Å; I60-V62 VanDerWaalsContact C-N 3.35Å; I60-V62 PolarHBondContact O-N 2.86Å; V62-D66 PolarHBondContact O-N 2.9Å |
| 63 | H | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.009 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.4 | -41.8 | -179.6 | -77.8 | 75.8 | 0 | 0 | 0 | 112.7 | W59 I60 A61 V65 D66 F67 H188 F192 | W59-H63 AromaticContact CD2-CE1 3.54Å; W59-H63 AromaticContact CD2-ND1 3.74Å; W59-H63 AromaticContact CE2-CE1 3.19Å; W59-H63 AromaticContact CE2-ND1 3.73Å; W59-H63 AromaticContact CE3-CE1 3.76Å; W59-H63 AromaticContact CH2-CE1 3.45Å; W59-H63 VanDerWaalsContact CH2-CE1 3.45Å; W59-H63 WeakPolarHBondContact CH2-CE1 3.39Å; W59-H63 AromaticContact CZ2-CE1 3.17Å; W59-H63 WeakPolarHBondContact CZ2-CE1 3.16Å; W59-H63 AromaticContact CZ2-NE2 3.79Å; W59-H63 AromaticContact CZ3-CE1 3.71Å; W59-H63 AromaticContact NE1-CE1 3.75Å; W59-H63 PolarHBondContact O-N 3.3Å; W59-H63 PolarHBondContact O-ND1 2.92Å; I60-H63 PolarHBondContact O-N 3.48Å; A61-H63 VanDerWaalsContact C-N 3.33Å; A61-H63 PolarHBondContact O-N 3.24Å; H63-V65 VanDerWaalsContact C-N 3.3Å; H63-V65 PolarHBondContact O-N 2.95Å; H63-D66 PolarHBondContact O-N 3.16Å; H63-F67 HydrophobicContact CB-CD2 4.16Å; H63-F67 HydrophobicContact CB-CE2 3.86Å; H63-F67 WeakPolarHBondContact O-CB 3.31Å; H63-F67 WeakPolarHBondContact O-CD2 3.5Å; H63-F67 WeakPolarHBondContact O-CG 3.07Å; H63-F67 PolarHBondContact O-N 3.22Å; H63-H188 AromaticContact CD2-CE1 3.97Å; H63-F192 HydrophobicContact CB-CD1 4.18Å; H63-F192 HydrophobicContact CB-CD2 3.94Å; H63-F192 HydrophobicContact CB-CE1 3.72Å; H63-F192 HydrophobicContact CB-CE2 3.47Å; H63-F192 VanDerWaalsContact CB-CE2 3.47Å; H63-F192 HydrophobicContact CB-CG 4.29Å; H63-F192 HydrophobicContact CB-CZ 3.37Å; H63-F192 AromaticContact CD2-CD2 3.35Å; H63-F192 WeakPolarHBondContact CD2-CD2 3.33Å; H63-F192 AromaticContact CD2-CE2 3.49Å; H63-F192 VanDerWaalsContact CD2-CE2 3.49Å; H63-F192 WeakPolarHBondContact CD2-CE2 3.26Å; H63-F192 AromaticContact CG-CD2 3.52Å; H63-F192 AromaticContact CG-CE2 3.14Å; H63-F192 AromaticContact CG-CZ 3.63Å; H63-F192 AromaticContact ND1-CE2 3.52Å |
| 64 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 176.9 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | I60 A61 F68 F135 C151 I154 L155 | I60-V64 HydrophobicContact CG2-CG2 4.02Å; I60-V64 WeakPolarHBondContact O-CB 3.46Å; I60-V64 VanDerWaalsContact O-CG2 3.31Å; I60-V64 WeakPolarHBondContact O-CG2 3.5Å; I60-V64 PolarHBondContact O-N 2.83Å; A61-V64 PolarHBondContact O-N 2.73Å; V64-F68 WeakPolarHBondContact O-CB 3.46Å; V64-F68 PolarHBondContact O-N 3.44Å; V64-F135 HydrophobicContact CB-CE1 4.45Å; V64-F135 HydrophobicContact CG1-CE1 4.27Å; V64-F135 HydrophobicContact CG1-CZ 3.97Å; V64-C151 HydrophobicContact CG2-CB 4.04Å; V64-I154 HydrophobicContact CG1-CB 4.46Å; V64-I154 HydrophobicContact CG1-CD1 4.17Å; V64-I154 HydrophobicContact CG1-CG2 3.79Å; V64-L155 HydrophobicContact CG2-CD1 4.07Å; V64-L155 HydrophobicContact CG2-CD2 4.13Å; V64-L155 HydrophobicContact CG2-CG 4.1Å |
| 65 | V | 96.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 15.6 Ų | 15.6 | 10% | 0.097 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.5 | -39.6 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | K19 F21 A61 H63 N69 I129 F135 | K19-V65 HydrophobicContact CB-CG1 3.98Å; F21-V65 HydrophobicContact CE1-CB 3.9Å; F21-V65 HydrophobicContact CE1-CG1 3.82Å; F21-V65 HydrophobicContact CE1-CG2 4.5Å; F21-V65 HydrophobicContact CE2-CG1 4.15Å; F21-V65 HydrophobicContact CZ-CB 3.64Å; F21-V65 HydrophobicContact CZ-CG1 3.5Å; A61-V65 WeakPolarHBondContact O-CG2 3.27Å; A61-V65 PolarHBondContact O-N 2.82Å; A61-V65 VanDerWaalsContact O-N 3.09Å; H63-V65 VanDerWaalsContact C-N 3.3Å; H63-V65 PolarHBondContact O-N 2.95Å; V65-N69 WeakPolarHBondContact O-CB 3.33Å; V65-N69 PolarHBondContact O-N 3.26Å; V65-N69 PolarHBondContact O-ND2 3.19Å; V65-N69 VanDerWaalsContact O-ND2 3.09Å; V65-I129 HydrophobicContact CG2-CB 4.29Å; V65-I129 HydrophobicContact CG2-CG2 4.21Å; V65-F135 HydrophobicContact CG2-CD1 4.46Å; V65-F135 HydrophobicContact CG2-CE1 4.37Å |
| 66 | D | 95.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 12.9 Ų | 12.9 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 174.6 | -173.3 | 56.7 | 0 | 0 | 0 | 111.7 | Q35 V62 H63 N69 R70 | Q35-D66 PolarHBondContact NE2-OD1 3.21Å; V62-D66 PolarHBondContact O-N 2.9Å; H63-D66 PolarHBondContact O-N 3.16Å; D66-N69 PolarHBondContact O-N 2.83Å; D66-R70 WeakPolarHBondContact O-CB 3.4Å; D66-R70 VanDerWaalsContact O-CG 3.3Å; D66-R70 WeakPolarHBondContact O-CG 3.28Å; D66-R70 PolarHBondContact O-N 3.37Å; D66-R70 WeakPolarHBondContact OD2-CD 3.18Å; D66-R70 IonicContact OD2-CZ 3.02Å; D66-R70 IonicContact OD2-NE 3.14Å; D66-R70 IonicContact OD2-NH1 3.25Å; D66-R70 PolarHBondContact OD2-NH1 3.44Å |
| 67 | F | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.2 | -70 | -50.4 | 0 | 0 | 0 | 112 | H63 N69 R70 I71 L155 L158 H188 F189 F192 | H63-F67 HydrophobicContact CB-CD2 4.16Å; H63-F67 HydrophobicContact CB-CE2 3.86Å; H63-F67 WeakPolarHBondContact O-CB 3.31Å; H63-F67 WeakPolarHBondContact O-CD2 3.5Å; H63-F67 WeakPolarHBondContact O-CG 3.07Å; H63-F67 PolarHBondContact O-N 3.22Å; F67-N69 VanDerWaalsContact C-N 3.33Å; F67-N69 PolarHBondContact O-N 2.81Å; F67-R70 PolarHBondContact O-N 3.38Å; F67-I71 HydrophobicContact CB-CD1 4.21Å; F67-I71 VanDerWaalsContact O-CB 3.25Å; F67-I71 WeakPolarHBondContact O-CB 3.44Å; F67-I71 WeakPolarHBondContact O-CD1 3.41Å; F67-I71 WeakPolarHBondContact O-CG1 3.34Å; F67-I71 PolarHBondContact O-N 2.95Å; F67-L155 HydrophobicContact CD2-CD2 4.11Å; F67-L158 HydrophobicContact CB-CD1 4.44Å; F67-H188 HydrophobicContact CE1-CB 4.29Å; F67-H188 AromaticContact CE1-CE1 3.83Å; F67-H188 AromaticContact CE1-CG 3.86Å; F67-H188 AromaticContact CE1-ND1 3.26Å; F67-H188 VanDerWaalsContact CE1-ND1 3.26Å; F67-H188 WeakPolarHBondContact CE1-ND1 3.47Å; F67-H188 AromaticContact CZ-CE1 3.69Å; F67-H188 AromaticContact CZ-ND1 3.54Å; F67-F189 HydrophobicContact CB-CD2 4.15Å; F67-F189 HydrophobicContact CD1-CB 3.98Å; F67-F189 AromaticContact CD1-CD2 3.87Å; F67-F189 HydrophobicContact CD1-CD2 3.87Å; F67-F189 HydrophobicContact CD1-CG 4.44Å; F67-F189 AromaticContact CD2-CD2 3.99Å; F67-F189 HydrophobicContact CD2-CD2 3.99Å; F67-F189 HydrophobicContact CE1-CB 3.72Å; F67-F189 HydrophobicContact CE1-CD2 4.27Å; F67-F189 HydrophobicContact CE1-CG 4.49Å; F67-F189 HydrophobicContact CE2-CD2 4.39Å; F67-F189 AromaticContact CG-CD2 3.75Å; F67-F189 HydrophobicContact CG-CD2 3.75Å; F67-F189 VanDerWaalsContact CZ-CA 3.47Å; F67-F189 HydrophobicContact CZ-CB 4.2Å; F67-F192 HydrophobicContact CD2-CD1 4.44Å; F67-F192 HydrophobicContact CE2-CB 3.74Å; F67-F192 AromaticContact CE2-CD1 3.62Å; F67-F192 HydrophobicContact CE2-CD1 3.62Å; F67-F192 HydrophobicContact CE2-CD2 4.38Å; F67-F192 HydrophobicContact CE2-CE1 4.38Å; F67-F192 AromaticContact CE2-CG 3.63Å; F67-F192 HydrophobicContact CE2-CG 3.63Å; F67-F192 HydrophobicContact CZ-CB 3.74Å; F67-F192 HydrophobicContact CZ-CD1 4.48Å; F67-F192 HydrophobicContact CZ-CG 4.1Å |
| 68 | F | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -52.9 | -52.9 | 173.4 | 170.1 | -103.6 | 0 | 0 | 0 | 110.6 | R16 K19 V64 R70 I71 N72 M122 I125 E126 I129 | R16-F68 HydrophobicContact CB-CZ 4.46Å; K19-F68 HydrophobicContact CG-CD1 4.23Å; K19-F68 HydrophobicContact CG-CE1 4.04Å; V64-F68 WeakPolarHBondContact O-CB 3.46Å; V64-F68 PolarHBondContact O-N 3.44Å; F68-R70 PolarHBondContact O-N 3Å; F68-I71 PolarHBondContact O-N 2.85Å; F68-N72 WeakPolarHBondContact O-CB 3.09Å; F68-N72 PolarHBondContact O-N 3.25Å; F68-M122 HydrophobicContact CD2-SD 4.22Å; F68-M122 HydrophobicContact CE2-CB 4.36Å; F68-M122 HydrophobicContact CE2-SD 3.8Å; F68-I125 HydrophobicContact CB-CG2 4.29Å; F68-I125 HydrophobicContact CD2-CB 3.89Å; F68-I125 HydrophobicContact CD2-CD1 4.37Å; F68-I125 HydrophobicContact CD2-CG2 3.42Å; F68-I125 VanDerWaalsContact CD2-CG2 3.42Å; F68-I125 HydrophobicContact CE2-CB 3.97Å; F68-I125 HydrophobicContact CE2-CG2 3.94Å; F68-I125 HydrophobicContact CG-CG2 3.97Å; F68-E126 HydrophobicContact CZ-CB 4.05Å; F68-I129 HydrophobicContact CD1-CD1 3.43Å; F68-I129 VanDerWaalsContact CD1-CD1 3.43Å; F68-I129 HydrophobicContact CE1-CD1 3.57Å; F68-I129 HydrophobicContact CG-CD1 4Å; F68-I129 HydrophobicContact CZ-CD1 4.24Å |
| 69 | N | 94.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 9.5 Ų | 9.5 | 4% | 0.043 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | -179.3 | -78.1 | -39.8 | 0 | 0 | 0 | 113.3 | R18 K19 V65 D66 F67 L73 | R18-N69 HydrophobicContact CG-CB 4.33Å; K19-N69 PolarHBondContact N-OD1 3.35Å; K19-N69 PolarHBondContact O-ND2 3.35Å; V65-N69 WeakPolarHBondContact O-CB 3.33Å; V65-N69 PolarHBondContact O-N 3.26Å; V65-N69 PolarHBondContact O-ND2 3.19Å; V65-N69 VanDerWaalsContact O-ND2 3.09Å; D66-N69 PolarHBondContact O-N 2.83Å; F67-N69 VanDerWaalsContact C-N 3.33Å; F67-N69 PolarHBondContact O-N 2.81Å; N69-L73 WeakPolarHBondContact O-CB 3.32Å; N69-L73 PolarHBondContact O-N 3.32Å |
| 70 | R | 95.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 18.6 Ų | 18.6 | 19% | 0.189 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.9 | -42.1 | -176.8 | -68.9 | 166.5 | 65 | 174.3 | 4 | 111.8 | D66 F67 F68 L73 I74 C185 H188 | D66-R70 WeakPolarHBondContact O-CB 3.4Å; D66-R70 VanDerWaalsContact O-CG 3.3Å; D66-R70 WeakPolarHBondContact O-CG 3.28Å; D66-R70 PolarHBondContact O-N 3.37Å; D66-R70 WeakPolarHBondContact OD2-CD 3.18Å; D66-R70 IonicContact OD2-CZ 3.02Å; D66-R70 IonicContact OD2-NE 3.14Å; D66-R70 IonicContact OD2-NH1 3.25Å; D66-R70 PolarHBondContact OD2-NH1 3.44Å; F67-R70 PolarHBondContact O-N 3.38Å; F68-R70 PolarHBondContact O-N 3Å; R70-L73 WeakPolarHBondContact O-CB 3.36Å; R70-L73 PolarHBondContact O-N 2.87Å; R70-I74 VanDerWaalsContact O-CG1 3.31Å; R70-I74 WeakPolarHBondContact O-CG1 3.43Å; R70-I74 PolarHBondContact O-N 2.86Å; R70-C185 PolarHBondContact NE-SG 3.46Å; R70-C185 VanDerWaalsContact NE-SG 3.42Å; R70-H188 PolarHBondContact NH1-ND1 3.02Å |
| 71 | I | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.2 | -39.1 | 178.3 | -64.6 | 169 | 0 | 0 | 0 | 110.6 | F67 F68 L73 I74 Y75 M122 L158 V161 F162 F189 | F67-I71 HydrophobicContact CB-CD1 4.21Å; F67-I71 VanDerWaalsContact O-CB 3.25Å; F67-I71 WeakPolarHBondContact O-CB 3.44Å; F67-I71 WeakPolarHBondContact O-CD1 3.41Å; F67-I71 WeakPolarHBondContact O-CG1 3.34Å; F67-I71 PolarHBondContact O-N 2.95Å; F68-I71 PolarHBondContact O-N 2.85Å; I71-L73 VanDerWaalsContact C-N 3.28Å; I71-L73 PolarHBondContact O-N 3.45Å; I71-I74 PolarHBondContact O-N 2.84Å; I71-Y75 PolarHBondContact O-N 2.89Å; I71-M122 HydrophobicContact CG2-CE 4.28Å; I71-L158 HydrophobicContact CB-CD2 4.24Å; I71-L158 HydrophobicContact CD1-CB 3.85Å; I71-L158 HydrophobicContact CD1-CD1 4.22Å; I71-L158 HydrophobicContact CD1-CD2 4.11Å; I71-L158 HydrophobicContact CD1-CG 4.28Å; I71-L158 HydrophobicContact CG2-CD2 4.02Å; I71-V161 HydrophobicContact CG2-CB 3.6Å; I71-V161 HydrophobicContact CG2-CG1 3.57Å; I71-V161 HydrophobicContact CG2-CG2 3.97Å; I71-F162 HydrophobicContact CD1-CD2 4.2Å; I71-F162 HydrophobicContact CD1-CE2 3.42Å; I71-F162 VanDerWaalsContact CD1-CE2 3.42Å; I71-F162 HydrophobicContact CD1-CZ 3.87Å; I71-F162 HydrophobicContact CG1-CE1 4.45Å; I71-F162 HydrophobicContact CG1-CE2 3.75Å; I71-F162 HydrophobicContact CG1-CZ 3.65Å; I71-F189 HydrophobicContact CD1-CD2 4.08Å; I71-F189 HydrophobicContact CD1-CE2 4.23Å |
| 72 | N | 93.8 | Very high | 94 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 173 | 176.2 | 61 | 0 | 0 | 0 | 112.5 | F15 R16 F68 G76 M122 | F15-N72 WeakPolarHBondContact CB-OD1 3.17Å; F15-N72 PolarHBondContact N-O 2.9Å; R16-N72 WeakPolarHBondContact CB-OD1 3.49Å; R16-N72 PolarHBondContact N-ND2 3.27Å; R16-N72 VanDerWaalsContact N-ND2 3.19Å; R16-N72 PolarHBondContact N-OD1 3.14Å; R16-N72 PolarHBondContact O-ND2 3.35Å; F68-N72 WeakPolarHBondContact O-CB 3.09Å; F68-N72 PolarHBondContact O-N 3.25Å; N72-G76 PolarHBondContact O-N 3.19Å; N72-M122 HydrophobicContact CB-CE 4.38Å; N72-M122 HydrophobicContact CB-SD 4.12Å |
| 73 | L | 92.1 | Very high | 94 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.3 | -47.5 | 170.5 | 179.2 | 57.7 | 0 | 0 | 0 | 111.8 | F9 K13 T14 N69 R70 I71 Y75 G76 T77 | F9-L73 HydrophobicContact CB-CD2 4.05Å; F9-L73 HydrophobicContact CD1-CD2 3.63Å; F9-L73 HydrophobicContact CD1-CG 3.86Å; F9-L73 HydrophobicContact CG-CD2 4.33Å; K13-L73 HydrophobicContact CB-CD1 4.34Å; T14-L73 HydrophobicContact CG2-CB 4.07Å; T14-L73 HydrophobicContact CG2-CD1 3.71Å; T14-L73 HydrophobicContact CG2-CG 4.37Å; N69-L73 WeakPolarHBondContact O-CB 3.32Å; N69-L73 PolarHBondContact O-N 3.32Å; R70-L73 WeakPolarHBondContact O-CB 3.36Å; R70-L73 PolarHBondContact O-N 2.87Å; I71-L73 VanDerWaalsContact C-N 3.28Å; I71-L73 PolarHBondContact O-N 3.45Å; L73-Y75 VanDerWaalsContact C-N 3.32Å; L73-Y75 PolarHBondContact O-N 3.38Å; L73-G76 PolarHBondContact O-N 3.4Å; L73-G76 VanDerWaalsContact O-N 3.11Å; L73-T77 WeakPolarHBondContact O-CG2 3.42Å; L73-T77 PolarHBondContact O-N 3.49Å; L73-T77 VanDerWaalsContact O-N 3.09Å |
| 74 | I | 92.5 | Very high | 94 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.2 | -50.6 | 177 | -70.2 | 164.5 | 0 | 0 | 0 | 110.2 | F9 R70 I71 G76 T77 F162 V165 V182 C185 | F9-I74 HydrophobicContact CE1-CG1 4.44Å; R70-I74 VanDerWaalsContact O-CG1 3.31Å; R70-I74 WeakPolarHBondContact O-CG1 3.43Å; R70-I74 PolarHBondContact O-N 2.86Å; I71-I74 PolarHBondContact O-N 2.84Å; I74-G76 PolarHBondContact O-N 2.84Å; I74-T77 PolarHBondContact O-N 3.45Å; I74-T77 PolarHBondContact O-OG1 3.19Å; I74-F162 HydrophobicContact CD1-CE1 4.07Å; I74-V165 HydrophobicContact CG2-CG1 4.11Å; I74-V182 HydrophobicContact CD1-CG1 4.4Å; I74-V182 HydrophobicContact CG1-CG2 4.37Å; I74-V182 HydrophobicContact CG2-CG1 4.36Å; I74-V182 HydrophobicContact CG2-CG2 4.19Å; I74-C185 HydrophobicContact CD1-CB 3.83Å |
| 75 | Y | 94.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | 177.7 | -176.4 | -107.8 | 0 | 0 | 0 | 112.4 | F15 I71 L73 T77 M78 A79 C82 P115 M118 V161 V165 | F15-Y75 HydrophobicContact CB-CD1 4.2Å; F15-Y75 HydrophobicContact CD1-CD1 4.23Å; F15-Y75 HydrophobicContact CD2-CD1 4.13Å; F15-Y75 HydrophobicContact CD2-CE1 4Å; F15-Y75 HydrophobicContact CE2-CE1 4.09Å; F15-Y75 AromaticContact CG-CD1 3.92Å; F15-Y75 HydrophobicContact CG-CD1 3.92Å; F15-Y75 HydrophobicContact CG-CE1 4.21Å; F15-Y75 HydrophobicContact CZ-CE1 4.38Å; I71-Y75 PolarHBondContact O-N 2.89Å; L73-Y75 VanDerWaalsContact C-N 3.32Å; L73-Y75 PolarHBondContact O-N 3.38Å; Y75-T77 PolarHBondContact O-N 2.95Å; Y75-M78 CarbonylContact O-C 3.54Å; Y75-M78 WeakPolarHBondContact O-CA 3.25Å; Y75-M78 PolarHBondContact O-N 2.85Å; Y75-A79 HydrophobicContact CE1-CB 4.37Å; Y75-A79 PolarHBondContact O-N 3.14Å; Y75-C82 HydrophobicContact CE2-CB 4.3Å; Y75-P115 WeakPolarHBondContact OH-CA 3.31Å; Y75-M118 HydrophobicContact CD1-CB 4.09Å; Y75-M118 HydrophobicContact CD1-CG 4.47Å; Y75-M118 HydrophobicContact CD2-CE 4.29Å; Y75-M118 HydrophobicContact CD2-CG 4.13Å; Y75-M118 HydrophobicContact CD2-SD 4.41Å; Y75-M118 HydrophobicContact CE1-CB 3.46Å; Y75-M118 VanDerWaalsContact CE1-CB 3.46Å; Y75-M118 HydrophobicContact CE1-CG 3.95Å; Y75-M118 HydrophobicContact CE2-CB 4.08Å; Y75-M118 HydrophobicContact CE2-CE 4.19Å; Y75-M118 HydrophobicContact CE2-CG 3.58Å; Y75-M118 HydrophobicContact CE2-SD 4.39Å; Y75-M118 VanDerWaalsContact CZ-CB 3.47Å; Y75-M118 VanDerWaalsContact CZ-CG 3.48Å; Y75-V161 HydrophobicContact CD2-CG1 4.44Å; Y75-V161 HydrophobicContact CG-CG1 4.47Å; Y75-V165 HydrophobicContact CD2-CG2 4.47Å |
| 76 | G | 91.7 | Very high | 93.9 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.3 | -35.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K13 N72 L73 I74 M78 | K13-G76 CarbonylContact O-C 3.5Å; K13-G76 WeakPolarHBondContact O-CA 3.43Å; N72-G76 PolarHBondContact O-N 3.19Å; L73-G76 PolarHBondContact O-N 3.4Å; L73-G76 VanDerWaalsContact O-N 3.11Å; I74-G76 PolarHBondContact O-N 2.84Å; G76-M78 PolarHBondContact O-N 3.17Å |
| 77 | T | 89.4 | Confident | 94 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 14% | 0.135 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -22.1 | 173.7 | 68.2 | 0 | 0 | 0 | 0 | 114.1 | V8 L73 I74 Y75 | V8-T77 HydrophobicContact CG1-CG2 4.02Å; V8-T77 WeakPolarHBondContact O-CG2 3.27Å; L73-T77 WeakPolarHBondContact O-CG2 3.42Å; L73-T77 PolarHBondContact O-N 3.49Å; L73-T77 VanDerWaalsContact O-N 3.09Å; I74-T77 PolarHBondContact O-N 3.45Å; I74-T77 PolarHBondContact O-OG1 3.19Å; Y75-T77 PolarHBondContact O-N 2.95Å |
| 78 | M | 89.1 | Confident | 93.9 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -103.2 | -10.2 | -178 | -56.2 | -71.9 | 76 | 0 | 0 | 113.5 | Y75 G76 E80 R81 C82 H169 I173 M176 | Y75-M78 CarbonylContact O-C 3.54Å; Y75-M78 WeakPolarHBondContact O-CA 3.25Å; Y75-M78 PolarHBondContact O-N 2.85Å; G76-M78 PolarHBondContact O-N 3.17Å; M78-E80 VanDerWaalsContact C-N 3.29Å; M78-E80 PolarHBondContact O-N 3.36Å; M78-R81 WeakPolarHBondContact O-CA 3.36Å; M78-R81 PolarHBondContact O-N 2.74Å; M78-C82 PolarHBondContact O-N 3.09Å; M78-C82 VanDerWaalsContact O-N 3.15Å; M78-H169 HydrophobicContact CG-CB 4.43Å; M78-H169 HydrophobicContact SD-CB 3.97Å; M78-I173 HydrophobicContact SD-CG1 4.07Å; M78-M176 HydrophobicContact CE-CE 3.07Å; M78-M176 HydrophobicContact CE-SD 3.46Å; M78-M176 WeakPolarHBondContact CE-SD 3.31Å; M78-M176 HydrophobicContact SD-CE 4.11Å |
| 79 | A | 90.1 | Very high | 93.9 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 26% | 0.256 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -56.7 | -40 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F15 Y75 R81 C82 | F15-A79 HydrophobicContact CD2-CB 4.36Å; Y75-A79 HydrophobicContact CE1-CB 4.37Å; Y75-A79 PolarHBondContact O-N 3.14Å; A79-R81 PolarHBondContact O-N 3.33Å; A79-C82 PolarHBondContact O-N 2.79Å |
| 80 | E | 88.3 | Confident | 94.1 | Very high | 195 Ų | 195 | 47.5 Ų | 47.5 | 91% | 0.911 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -66.4 | -20.7 | 178.1 | -64.2 | -179.1 | 174 | 0 | 0 | 113.7 | M78 | M78-E80 VanDerWaalsContact C-N 3.29Å; M78-E80 PolarHBondContact O-N 3.36Å |
| 81 | R | 90.4 | Very high | 94.1 | Very high | 138 Ų | 138 | 45.8 Ų | 45.8 | 52% | 0.521 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -102.1 | -4.8 | -179.1 | -57.7 | -179.9 | -174.6 | -95.9 | -1.8 | 112.6 | M78 A79 S86 H169 S172 | M78-R81 WeakPolarHBondContact O-CA 3.36Å; M78-R81 PolarHBondContact O-N 2.74Å; A79-R81 PolarHBondContact O-N 3.33Å; R81-S86 PolarHBondContact O-OG 2.81Å; R81-H169 PolarHBondContact O-CE1 3.02Å; R81-S172 VanDerWaalsContact CD-OG 3.26Å; R81-S172 WeakPolarHBondContact CD-OG 3.47Å |
| 82 | C | 96.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | trans | -107 | 97.8 | 178.9 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | Y75 M78 A79 H164 | Y75-C82 HydrophobicContact CE2-CB 4.3Å; M78-C82 PolarHBondContact O-N 3.09Å; M78-C82 VanDerWaalsContact O-N 3.15Å; A79-C82 PolarHBondContact O-N 2.79Å; C82-H164 PolarHBondContact SG-NE2 2.77Å; C82-H164 VanDerWaalsContact SG-NE2 3.36Å | ||
| 83 | S | 96.5 | Very high | 93.5 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | trans | -116.6 | 169.3 | -178.3 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | T85 S86 C87 | S83-T85 PolarHBondContact O-N 3.29Å; S83-T85 PolarHBondContact OG-N 3.07Å; S83-T85 PolarHBondContact OG-OG1 3.46Å; S83-S86 PolarHBondContact N-OG 2.97Å; S83-S86 PolarHBondContact O-N 3.38Å; S83-S86 PolarHBondContact OG-N 2.85Å; S83-S86 PolarHBondContact OG-OG 3.07Å; S83-C87 CarbonylContact O-C 3.49Å; S83-C87 WeakPolarHBondContact O-CA 3.34Å; S83-C87 PolarHBondContact O-N 3.21Å | ||
| 84 | E | 97.3 | Very high | 93.3 | Very high | 127 Ų | 127 | 52 Ų | 52 | 59% | 0.593 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21 | 173.2 | -51.9 | -158.6 | 145 | 0 | 0 | 112.4 | P88 S113 P115 | E84-P88 WeakPolarHBondContact O-CA 3.26Å; E84-P88 WeakPolarHBondContact O-CB 3.44Å; E84-S113 PolarHBondContact OE1-OG 3.4Å; E84-S113 VanDerWaalsContact OE1-OG 3.08Å; E84-P115 HydrophobicContact CG-CG 4.15Å |
| 85 | T | 96.5 | Very high | 93.2 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 80% | 0.798 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -43 | 176 | 53.7 | 0 | 0 | 0 | 0 | 112 | S83 | S83-T85 PolarHBondContact O-N 3.29Å; S83-T85 PolarHBondContact OG-N 3.07Å; S83-T85 PolarHBondContact OG-OG1 3.46Å |
| 86 | S | 95.5 | Very high | 93.2 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 44% | 0.441 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -31.1 | 178.2 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | R81 S83 | R81-S86 PolarHBondContact O-OG 2.81Å; S83-S86 PolarHBondContact N-OG 2.97Å; S83-S86 PolarHBondContact O-N 3.38Å; S83-S86 PolarHBondContact OG-N 2.85Å; S83-S86 PolarHBondContact OG-OG 3.07Å |
| 87 | C | 97.4 | Very high | 93.4 | Very high | 7 Ų | 7 | 68.9 Ų | 68.9 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | trans | -134.8 | 67.4 | -176.8 | -59.9 | 0 | 0 | 0 | 0 | 111 | S83 V89 A114 | S83-C87 CarbonylContact O-C 3.49Å; S83-C87 WeakPolarHBondContact O-CA 3.34Å; S83-C87 PolarHBondContact O-N 3.21Å; C87-V89 PolarHBondContact O-N 3.01Å; C87-V89 VanDerWaalsContact O-N 3.14Å; C87-A114 HydrophobicContact CB-CB 3.53Å; C87-A114 PolarHBondContact O-N 2.91Å | ||
| 88 | P | 97.6 | Very high | 93.8 | Very high | 83 Ų | 83 | 68.8 Ų | 68.8 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -66.5 | -16.5 | -175.2 | 27.5 | -36.3 | 0 | 0 | 0 | 113.7 | E84 S113 | E84-P88 WeakPolarHBondContact O-CA 3.26Å; E84-P88 WeakPolarHBondContact O-CB 3.44Å; P88-S113 VanDerWaalsContact O-CA 3.28Å; P88-S113 WeakPolarHBondContact O-CA 3.33Å |
| 89 | V | 97.6 | Very high | 94.2 | Very high | 47 Ų | 47 | 74.3 Ų | 74.3 | 29% | 0.285 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -136.2 | 136.1 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | C87 A91 E97 L112 | C87-V89 PolarHBondContact O-N 3.01Å; C87-V89 VanDerWaalsContact O-N 3.14Å; V89-A91 PolarHBondContact O-N 2.93Å; V89-A91 VanDerWaalsContact O-N 3.14Å; V89-E97 HydrophobicContact CG1-CG 3.68Å; V89-L112 CarbonylContact C-O 3.3Å; V89-L112 WeakPolarHBondContact CA-O 3.43Å |
| 90 | M | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.369 | C | S | . | . | trans | -67.3 | 108 | 169.1 | -178.5 | 63 | -173.5 | 0 | 0 | 109.8 | Y98 L112 A114 Y117 M118 R160 H164 | M90-Y98 HydrophobicContact CE-CD2 4.01Å; M90-Y98 HydrophobicContact CG-CD2 4.04Å; M90-Y98 HydrophobicContact CG-CG 4.41Å; M90-Y98 PolarHBondContact O-N 3.04Å; M90-L112 PolarHBondContact N-O 3.44Å; M90-A114 HydrophobicContact CB-CB 4.49Å; M90-A114 HydrophobicContact SD-CB 3.96Å; M90-Y117 HydrophobicContact CB-CD1 4.44Å; M90-Y117 HydrophobicContact CB-CD2 3.85Å; M90-Y117 HydrophobicContact CB-CG 3.76Å; M90-Y117 HydrophobicContact CE-CD1 4.15Å; M90-Y117 HydrophobicContact CE-CE1 4.22Å; M90-Y117 HydrophobicContact CG-CD1 3.69Å; M90-Y117 HydrophobicContact CG-CD2 3.75Å; M90-Y117 HydrophobicContact CG-CE1 4.16Å; M90-Y117 HydrophobicContact CG-CE2 4.19Å; M90-Y117 HydrophobicContact CG-CG 3.5Å; M90-Y117 VanDerWaalsContact CG-CG 3.5Å; M90-Y117 HydrophobicContact SD-CD1 4.04Å; M90-Y117 HydrophobicContact SD-CG 4.27Å; M90-M118 HydrophobicContact CE-CE 3.48Å; M90-M118 VanDerWaalsContact CE-CE 3.48Å; M90-M118 HydrophobicContact CE-SD 4.22Å; M90-M118 HydrophobicContact SD-CE 3.66Å; M90-M118 HydrophobicContact SD-SD 4.43Å; M90-R160 HydrophobicContact CE-CB 3.94Å; M90-R160 WeakPolarHBondContact CE-O 3.47Å; M90-H164 HydrophobicContact CE-CB 3.76Å; M90-H164 HydrophobicContact SD-CB 4.2Å | ||
| 91 | A | 95.6 | Very high | 94.9 | Very high | 14 Ų | 14 | 68.1 Ų | 68.1 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -140 | 158.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V89 Y96 H168 | V89-A91 PolarHBondContact O-N 2.93Å; V89-A91 VanDerWaalsContact O-N 3.14Å; A91-Y96 CarbonylContact C-O 3.57Å; A91-Y96 WeakPolarHBondContact CA-O 3.31Å; A91-Y96 VanDerWaalsContact CB-O 3.3Å; A91-Y96 WeakPolarHBondContact CB-O 3.36Å; A91-H168 PolarHBondContact O-CD2 2.99Å; A91-H168 PolarHBondContact O-NE2 3.49Å |
| 92 | G | 90.7 | Very high | 95 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -108.7 | 62.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y96 V163 I167 | G92-Y96 PolarHBondContact N-O 3.41Å; G92-Y96 WeakPolarHBondContact O-CD2 2.97Å; G92-V163 VanDerWaalsContact CA-CG1 3.4Å; G92-I167 WeakPolarHBondContact O-CD1 3.46Å |
| 93 | G | 87.3 | Confident | 94.7 | Very high | 11 Ų | 11 | 71.6 Ų | 71.6 | 11% | 0.113 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 73.7 | -167.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R95 H168 | G93-R95 PolarHBondContact O-N 3.1Å; G93-R95 VanDerWaalsContact O-N 3.16Å; G93-H168 PolarHBondContact N-NE2 2.7Å |
| 94 | P | 86.8 | Confident | 94.2 | Very high | 147 Ų | 147 | 80.3 Ų | 80.3 | 96% | 0.955 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.1 | -170.7 | -22.7 | 33.6 | 0 | 0 | 0 | 115 | ||
| 95 | R | 90.6 | Very high | 93.9 | Very high | 221 Ų | 221 | 80.2 Ų | 80.2 | 83% | 0.834 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -24.4 | -171.3 | -64.2 | -175.3 | -173.1 | 174.3 | 4 | 114.1 | G93 | G93-R95 PolarHBondContact O-N 3.1Å; G93-R95 VanDerWaalsContact O-N 3.16Å |
| 96 | Y | 94.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 75.9 Ų | 75.9 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | trans | -123.1 | 112.5 | -170.1 | -59.2 | -74.8 | 0 | 0 | 0 | 110.5 | A91 G92 E205 P206 | A91-Y96 CarbonylContact C-O 3.57Å; A91-Y96 WeakPolarHBondContact CA-O 3.31Å; A91-Y96 VanDerWaalsContact CB-O 3.3Å; A91-Y96 WeakPolarHBondContact CB-O 3.36Å; G92-Y96 PolarHBondContact N-O 3.41Å; G92-Y96 WeakPolarHBondContact O-CD2 2.97Å; Y96-E205 WeakPolarHBondContact OH-CG 3.21Å; Y96-P206 HydrophobicContact CD1-CG 3.98Å; Y96-P206 HydrophobicContact CD2-CB 3.76Å; Y96-P206 HydrophobicContact CD2-CG 3.73Å; Y96-P206 HydrophobicContact CE1-CG 4.05Å; Y96-P206 HydrophobicContact CE2-CB 3.85Å; Y96-P206 HydrophobicContact CE2-CG 3.79Å; Y96-P206 HydrophobicContact CG-CB 4.3Å; Y96-P206 HydrophobicContact CG-CG 3.82Å | ||
| 97 | E | 97 | Very high | 93.7 | Very high | 79 Ų | 79 | 82.2 Ų | 82.2 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -106.3 | 125.7 | 172.8 | -173.7 | -176.1 | 101.6 | 0 | 0 | 109.3 | V89 R99 K111 | V89-E97 HydrophobicContact CG1-CG 3.68Å; E97-R99 IonicContact OE1-CZ 3.82Å; E97-R99 IonicContact OE1-NE 2.66Å; E97-R99 PolarHBondContact OE1-NE 2.91Å; E97-R99 IonicContact OE1-NH2 2.73Å; E97-R99 PolarHBondContact OE1-NH2 3.37Å; E97-K111 WeakPolarHBondContact OE1-CE 2.97Å; E97-K111 IonicContact OE1-NZ 2.69Å; E97-K111 PolarHBondContact OE1-NZ 3.08Å; E97-K111 WeakPolarHBondContact OE2-CE 3.39Å; E97-K111 IonicContact OE2-NZ 2.75Å; E97-K111 PolarHBondContact OE2-NZ 2.97Å |
| 98 | Y | 97.6 | Very high | 93.6 | Very high | 19 Ų | 19 | 92.1 Ų | 92.1 | 8% | 0.075 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -102 | 116.6 | 177.7 | -56.2 | -68.7 | 0 | 0 | 0 | 110.7 | M90 R160 V163 P206 | M90-Y98 HydrophobicContact CE-CD2 4.01Å; M90-Y98 HydrophobicContact CG-CD2 4.04Å; M90-Y98 HydrophobicContact CG-CG 4.41Å; M90-Y98 PolarHBondContact O-N 3.04Å; Y98-R160 HydrophobicContact CD1-CG 3.94Å; Y98-R160 HydrophobicContact CD2-CB 4.4Å; Y98-R160 HydrophobicContact CD2-CG 4.49Å; Y98-R160 HydrophobicContact CE1-CG 3.76Å; Y98-R160 HydrophobicContact CE2-CB 4.26Å; Y98-R160 HydrophobicContact CE2-CG 4.32Å; Y98-R160 HydrophobicContact CG-CG 4.3Å; Y98-V163 HydrophobicContact CE2-CG1 4.3Å; Y98-P206 WeakPolarHBondContact OH-CG 3.49Å |
| 99 | R | 97.5 | Very high | 93.6 | Very high | 118 Ų | 118 | 91.6 Ų | 91.6 | 45% | 0.445 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 142.5 | 175.9 | -63.7 | -171.9 | -179.3 | -154.9 | 12.5 | 111.3 | E97 P109 A110 | E97-R99 IonicContact OE1-CZ 3.82Å; E97-R99 IonicContact OE1-NE 2.66Å; E97-R99 PolarHBondContact OE1-NE 2.91Å; E97-R99 IonicContact OE1-NH2 2.73Å; E97-R99 PolarHBondContact OE1-NH2 3.37Å; R99-P109 HydrophobicContact CB-CB 3.92Å; R99-A110 WeakPolarHBondContact CA-O 3.24Å; R99-A110 WeakPolarHBondContact CB-O 3.43Å |
| 100 | W | 97.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 90.5 Ų | 90.5 | 1% | 0.011 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -90.8 | 140.2 | 177.2 | -174 | -98.5 | 0 | 0 | 0 | 110.8 | D102 Y106 P109 A110 L112 Y117 L120 L121 W124 R157 | W100-D102 PolarHBondContact NE1-OD2 3.34Å; W100-Y106 AromaticContact CD1-CD2 3.49Å; W100-Y106 VanDerWaalsContact CD1-CD2 3.49Å; W100-Y106 AromaticContact CD1-CG 3.75Å; W100-Y106 AromaticContact NE1-CD2 3.87Å; W100-P109 WeakPolarHBondContact O-CA 3.33Å; W100-A110 PolarHBondContact N-O 3.4Å; W100-A110 PolarHBondContact O-N 2.91Å; W100-L112 HydrophobicContact CB-CD1 3.45Å; W100-L112 VanDerWaalsContact CB-CD1 3.45Å; W100-L112 HydrophobicContact CB-CG 4.23Å; W100-L112 HydrophobicContact CG-CD1 3.9Å; W100-Y117 HydrophobicContact CB-CD2 4Å; W100-Y117 HydrophobicContact CB-CE2 4.15Å; W100-Y117 HydrophobicContact CE3-CD2 4.06Å; W100-Y117 HydrophobicContact CE3-CE1 4.25Å; W100-Y117 AromaticContact CE3-CE2 3.75Å; W100-Y117 HydrophobicContact CE3-CE2 3.75Å; W100-Y117 HydrophobicContact CE3-CG 4.43Å; W100-Y117 AromaticContact CE3-CZ 3.83Å; W100-Y117 HydrophobicContact CZ3-CE1 4.43Å; W100-L120 HydrophobicContact CD2-CB 4.12Å; W100-L120 HydrophobicContact CD2-CD1 4.31Å; W100-L120 HydrophobicContact CE3-CB 4.46Å; W100-L120 HydrophobicContact CG-CD1 4.09Å; W100-L120 HydrophobicContact CH2-CB 4.12Å; W100-L120 WeakPolarHBondContact CH2-O 3.49Å; W100-L120 HydrophobicContact CZ2-CB 3.74Å; W100-L120 HydrophobicContact CZ3-CB 4.46Å; W100-L121 HydrophobicContact CH2-CB 4.35Å; W100-L121 HydrophobicContact CZ3-CB 3.91Å; W100-L121 HydrophobicContact CZ3-CD1 4.16Å; W100-W124 HydrophobicContact CH2-CB 3.92Å; W100-W124 HydrophobicContact CH2-CG 4.26Å; W100-W124 HydrophobicContact CZ2-CB 4.19Å; W100-R157 VanDerWaalsContact CH2-NH1 3.3Å |
| 101 | Q | 95.2 | Very high | 93.5 | Very high | 92 Ų | 92 | 95.9 Ų | 95.9 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | trans | -147 | 136.2 | 171.4 | -170.8 | -176 | -2.2 | 0 | 0 | 108.8 | Y106 R107 R157 | Q101-Y106 WeakPolarHBondContact CA-O 3.17Å; Q101-Y106 VanDerWaalsContact CG-O 3.29Å; Q101-Y106 WeakPolarHBondContact CG-O 3.3Å; Q101-R107 PolarHBondContact NE2-O 3.26Å; Q101-R107 VanDerWaalsContact NE2-O 3.11Å; Q101-R157 PolarHBondContact O-NH2 3.44Å | ||
| 102 | D | 92.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 96 Ų | 96 | 19% | 0.187 | 43% | 0.429 | C | S | . | . | trans | -143.8 | 173.4 | 172.5 | 63.5 | 49.5 | 0 | 0 | 0 | 110.8 | W100 R104 Q105 Y106 R107 | W100-D102 PolarHBondContact NE1-OD2 3.34Å; D102-R104 VanDerWaalsContact C-N 3.28Å; D102-R104 VanDerWaalsContact OD1-C 3.32Å; D102-R104 WeakPolarHBondContact OD1-CA 3.5Å; D102-R104 PolarHBondContact OD1-N 2.93Å; D102-Q105 PolarHBondContact OD1-N 3.19Å; D102-Y106 PolarHBondContact N-O 3.26Å; D102-Y106 CarbonylContact O-C 3.4Å; D102-Y106 VanDerWaalsContact O-C 3.3Å; D102-Y106 PolarHBondContact OD1-N 3.09Å; D102-Y106 WeakPolarHBondContact OD2-CD2 3.45Å; D102-R107 WeakPolarHBondContact O-CA 3.42Å | ||
| 103 | E | 89.3 | Confident | 94 | Very high | 182 Ų | 182 | 96.4 Ų | 96.4 | 85% | 0.85 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -85.8 | -3.5 | -178.7 | -64.9 | 175.6 | -173.4 | 0 | 0 | 112.8 | ||
| 104 | R | 87.8 | Confident | 94.5 | Very high | 226 Ų | 226 | 95.9 Ų | 95.9 | 85% | 0.853 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -102.2 | -89.1 | -174.6 | -61.9 | -177.8 | -179.8 | -173.1 | 0.2 | 109.8 | D102 | D102-R104 VanDerWaalsContact C-N 3.28Å; D102-R104 VanDerWaalsContact OD1-C 3.32Å; D102-R104 WeakPolarHBondContact OD1-CA 3.5Å; D102-R104 PolarHBondContact OD1-N 2.93Å |
| 105 | Q | 90.9 | Very high | 95.1 | Very high | 125 Ų | 125 | 90.1 Ų | 90.1 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -86 | -34.6 | -171 | -175.2 | 175.4 | 16.2 | 0 | 0 | 112.3 | D102 | D102-Q105 PolarHBondContact OD1-N 3.19Š|
| 106 | Y | 93.4 | Very high | 95.4 | Very high | 40 Ų | 40 | 84.3 Ų | 84.3 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | trans | -116.5 | 68.1 | -171.2 | -62.5 | -83.1 | 0 | 0 | 0 | 111.4 | W100 Q101 D102 R108 A110 L112 L120 | W100-Y106 AromaticContact CD1-CD2 3.49Å; W100-Y106 VanDerWaalsContact CD1-CD2 3.49Å; W100-Y106 AromaticContact CD1-CG 3.75Å; W100-Y106 AromaticContact NE1-CD2 3.87Å; Q101-Y106 WeakPolarHBondContact CA-O 3.17Å; Q101-Y106 VanDerWaalsContact CG-O 3.29Å; Q101-Y106 WeakPolarHBondContact CG-O 3.3Å; D102-Y106 PolarHBondContact N-O 3.26Å; D102-Y106 CarbonylContact O-C 3.4Å; D102-Y106 VanDerWaalsContact O-C 3.3Å; D102-Y106 PolarHBondContact OD1-N 3.09Å; D102-Y106 WeakPolarHBondContact OD2-CD2 3.45Å; Y106-R108 PolarHBondContact O-N 3.16Å; Y106-R108 VanDerWaalsContact O-N 3.16Å; Y106-A110 HydrophobicContact CD1-CB 3.52Å; Y106-A110 HydrophobicContact CE1-CB 4.12Å; Y106-A110 HydrophobicContact CG-CB 4.4Å; Y106-L112 HydrophobicContact CE1-CD1 4.43Å; Y106-L112 HydrophobicContact CE1-CD2 3.75Å; Y106-L120 HydrophobicContact CD2-CD1 4.14Å; Y106-L120 HydrophobicContact CE2-CD1 3.54Å; Y106-L120 HydrophobicContact CE2-CD2 4.47Å | ||
| 107 | R | 92.8 | Very high | 95.6 | Very high | 196 Ų | 196 | 80.6 Ų | 80.6 | 74% | 0.74 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -63.5 | -19.8 | -177 | -63.8 | -173.6 | 179.5 | -176.3 | -0.6 | 114.6 | Q101 D102 | Q101-R107 PolarHBondContact NE2-O 3.26Å; Q101-R107 VanDerWaalsContact NE2-O 3.11Å; D102-R107 WeakPolarHBondContact O-CA 3.42Å |
| 108 | R | 95.6 | Very high | 95.6 | Very high | 214 Ų | 214 | 76.8 Ų | 76.8 | 81% | 0.808 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -121.1 | 151.2 | 174 | -65.6 | -177.6 | -179.6 | 177.9 | 0.4 | 109.7 | Y106 A110 | Y106-R108 PolarHBondContact O-N 3.16Å; Y106-R108 VanDerWaalsContact O-N 3.16Å; R108-A110 PolarHBondContact O-N 2.74Å |
| 109 | P | 97.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 76.8 Ų | 76.8 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | trans | -53.4 | 109.8 | 176.9 | -27.4 | 35.1 | 0 | 0 | 0 | 112.8 | R99 W100 | R99-P109 HydrophobicContact CB-CB 3.92Å; W100-P109 WeakPolarHBondContact O-CA 3.33Å | ||
| 110 | A | 97.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 72.2 Ų | 72.2 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -104.7 | 140.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R99 W100 Y106 R108 | R99-A110 WeakPolarHBondContact CA-O 3.24Å; R99-A110 WeakPolarHBondContact CB-O 3.43Å; W100-A110 PolarHBondContact N-O 3.4Å; W100-A110 PolarHBondContact O-N 2.91Å; Y106-A110 HydrophobicContact CD1-CB 3.52Å; Y106-A110 HydrophobicContact CE1-CB 4.12Å; Y106-A110 HydrophobicContact CG-CB 4.4Å; R108-A110 PolarHBondContact O-N 2.74Å |
| 111 | K | 97.7 | Very high | 95.6 | Very high | 113 Ų | 113 | 72.1 Ų | 72.1 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | trans | -75.9 | 129.5 | 167.5 | -66.3 | -167.8 | 179.4 | -141.3 | 0 | 108.7 | E97 | E97-K111 WeakPolarHBondContact OE1-CE 2.97Å; E97-K111 IonicContact OE1-NZ 2.69Å; E97-K111 PolarHBondContact OE1-NZ 3.08Å; E97-K111 WeakPolarHBondContact OE2-CE 3.39Å; E97-K111 IonicContact OE2-NZ 2.75Å; E97-K111 PolarHBondContact OE2-NZ 2.97Å | ||
| 112 | L | 98.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 67.7 Ų | 67.7 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | trans | -133.7 | 152.6 | 176.9 | -63.2 | -179.6 | 0 | 0 | 0 | 109.7 | V89 M90 W100 Y106 R116 L120 | V89-L112 CarbonylContact C-O 3.3Å; V89-L112 WeakPolarHBondContact CA-O 3.43Å; M90-L112 PolarHBondContact N-O 3.44Å; W100-L112 HydrophobicContact CB-CD1 3.45Å; W100-L112 VanDerWaalsContact CB-CD1 3.45Å; W100-L112 HydrophobicContact CB-CG 4.23Å; W100-L112 HydrophobicContact CG-CD1 3.9Å; Y106-L112 HydrophobicContact CE1-CD1 4.43Å; Y106-L112 HydrophobicContact CE1-CD2 3.75Å; L112-R116 HydrophobicContact CB-CB 4.46Å; L112-R116 HydrophobicContact CB-CG 4.47Å; L112-R116 HydrophobicContact CD1-CG 4.24Å; L112-R116 HydrophobicContact CD2-CG 4.22Å; L112-L120 HydrophobicContact CD1-CD1 3.45Å; L112-L120 VanDerWaalsContact CD1-CD1 3.45Å | ||
| 113 | S | 98.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 69.5 Ų | 69.5 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | trans | -58.1 | 150.2 | 165 | 64.9 | 0 | 0 | 0 | 0 | 110.2 | E84 P88 R116 Y117 | E84-S113 PolarHBondContact OE1-OG 3.4Å; E84-S113 VanDerWaalsContact OE1-OG 3.08Å; P88-S113 VanDerWaalsContact O-CA 3.28Å; P88-S113 WeakPolarHBondContact O-CA 3.33Å; S113-R116 PolarHBondContact O-N 3.25Å; S113-R116 WeakPolarHBondContact OG-CB 3.28Å; S113-R116 PolarHBondContact OG-N 2.9Å; S113-Y117 WeakPolarHBondContact O-CB 3.46Å; S113-Y117 PolarHBondContact O-N 3.16Å | ||
| 114 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.3 | -49.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C87 M90 R116 Y117 M118 H164 | C87-A114 HydrophobicContact CB-CB 3.53Å; C87-A114 PolarHBondContact O-N 2.91Å; M90-A114 HydrophobicContact CB-CB 4.49Å; M90-A114 HydrophobicContact SD-CB 3.96Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 3.17Å; A114-Y117 PolarHBondContact O-N 2.91Å; A114-Y117 VanDerWaalsContact O-N 3.16Å; A114-M118 WeakPolarHBondContact O-CG 3.4Å; A114-M118 PolarHBondContact O-N 3.49Å; A114-H164 WeakPolarHBondContact CB-CE1 3.41Å |
| 115 | P | 97.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -36.4 | 179.1 | 24.1 | -35.1 | 0 | 0 | 0 | 113.4 | Y75 E84 M118 A119 | Y75-P115 WeakPolarHBondContact OH-CA 3.31Å; E84-P115 HydrophobicContact CG-CG 4.15Å; P115-M118 PolarHBondContact O-N 3.3Å; P115-A119 PolarHBondContact O-N 3.28Å |
| 116 | R | 97.7 | Very high | 97 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 175.6 | -175.5 | 64 | 178.8 | 172.1 | 3.4 | 111.8 | L112 S113 A114 A119 L120 | L112-R116 HydrophobicContact CB-CB 4.46Å; L112-R116 HydrophobicContact CB-CG 4.47Å; L112-R116 HydrophobicContact CD1-CG 4.24Å; L112-R116 HydrophobicContact CD2-CG 4.22Å; S113-R116 PolarHBondContact O-N 3.25Å; S113-R116 WeakPolarHBondContact OG-CB 3.28Å; S113-R116 PolarHBondContact OG-N 2.9Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 3.17Å; R116-A119 PolarHBondContact O-N 3.2Å; R116-L120 HydrophobicContact CG-CD1 4.48Å; R116-L120 WeakPolarHBondContact O-CG 3.21Å; R116-L120 PolarHBondContact O-N 3.34Å |
| 117 | Y | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 175.4 | -175.9 | -73.9 | 0 | 0 | 0 | 111 | M90 W100 S113 A114 A119 L120 L121 R160 | M90-Y117 HydrophobicContact CB-CD1 4.44Å; M90-Y117 HydrophobicContact CB-CD2 3.85Å; M90-Y117 HydrophobicContact CB-CG 3.76Å; M90-Y117 HydrophobicContact CE-CD1 4.15Å; M90-Y117 HydrophobicContact CE-CE1 4.22Å; M90-Y117 HydrophobicContact CG-CD1 3.69Å; M90-Y117 HydrophobicContact CG-CD2 3.75Å; M90-Y117 HydrophobicContact CG-CE1 4.16Å; M90-Y117 HydrophobicContact CG-CE2 4.19Å; M90-Y117 HydrophobicContact CG-CG 3.5Å; M90-Y117 VanDerWaalsContact CG-CG 3.5Å; M90-Y117 HydrophobicContact SD-CD1 4.04Å; M90-Y117 HydrophobicContact SD-CG 4.27Å; W100-Y117 HydrophobicContact CB-CD2 4Å; W100-Y117 HydrophobicContact CB-CE2 4.15Å; W100-Y117 HydrophobicContact CE3-CD2 4.06Å; W100-Y117 HydrophobicContact CE3-CE1 4.25Å; W100-Y117 AromaticContact CE3-CE2 3.75Å; W100-Y117 HydrophobicContact CE3-CE2 3.75Å; W100-Y117 HydrophobicContact CE3-CG 4.43Å; W100-Y117 AromaticContact CE3-CZ 3.83Å; W100-Y117 HydrophobicContact CZ3-CE1 4.43Å; S113-Y117 WeakPolarHBondContact O-CB 3.46Å; S113-Y117 PolarHBondContact O-N 3.16Å; A114-Y117 PolarHBondContact O-N 2.91Å; A114-Y117 VanDerWaalsContact O-N 3.16Å; Y117-A119 VanDerWaalsContact C-N 3.34Å; Y117-A119 PolarHBondContact O-N 3.22Å; Y117-L120 PolarHBondContact O-N 3.32Å; Y117-L121 HydrophobicContact CD1-CB 4.37Å; Y117-L121 HydrophobicContact CE1-CB 4.25Å; Y117-L121 HydrophobicContact CE1-CD2 4.11Å; Y117-L121 VanDerWaalsContact O-CB 3.31Å; Y117-L121 WeakPolarHBondContact O-CB 3.35Å; Y117-L121 PolarHBondContact O-N 3.29Å; Y117-R160 WeakPolarHBondContact OH-CD 3.33Å; Y117-R160 PolarHBondContact OH-NH1 2.88Å |
| 118 | M | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | -179.6 | -64.8 | -62.9 | -168.6 | 0 | 0 | 111.9 | Y75 M90 A114 P115 L121 M122 V161 H164 | Y75-M118 HydrophobicContact CD1-CB 4.09Å; Y75-M118 HydrophobicContact CD1-CG 4.47Å; Y75-M118 HydrophobicContact CD2-CE 4.29Å; Y75-M118 HydrophobicContact CD2-CG 4.13Å; Y75-M118 HydrophobicContact CD2-SD 4.41Å; Y75-M118 HydrophobicContact CE1-CB 3.46Å; Y75-M118 VanDerWaalsContact CE1-CB 3.46Å; Y75-M118 HydrophobicContact CE1-CG 3.95Å; Y75-M118 HydrophobicContact CE2-CB 4.08Å; Y75-M118 HydrophobicContact CE2-CE 4.19Å; Y75-M118 HydrophobicContact CE2-CG 3.58Å; Y75-M118 HydrophobicContact CE2-SD 4.39Å; Y75-M118 VanDerWaalsContact CZ-CB 3.47Å; Y75-M118 VanDerWaalsContact CZ-CG 3.48Å; M90-M118 HydrophobicContact CE-CE 3.48Å; M90-M118 VanDerWaalsContact CE-CE 3.48Å; M90-M118 HydrophobicContact CE-SD 4.22Å; M90-M118 HydrophobicContact SD-CE 3.66Å; M90-M118 HydrophobicContact SD-SD 4.43Å; A114-M118 WeakPolarHBondContact O-CG 3.4Å; A114-M118 PolarHBondContact O-N 3.49Å; P115-M118 PolarHBondContact O-N 3.3Å; M118-L121 PolarHBondContact O-N 2.89Å; M118-M122 VanDerWaalsContact O-CG 3.27Å; M118-M122 WeakPolarHBondContact O-CG 3.34Å; M118-M122 PolarHBondContact O-N 3Å; M118-V161 HydrophobicContact CE-CB 4.42Å; M118-V161 HydrophobicContact CE-CG1 4.17Å; M118-V161 HydrophobicContact CE-CG2 4.46Å; M118-V161 HydrophobicContact SD-CB 4.37Å; M118-V161 HydrophobicContact SD-CG1 4.17Å; M118-V161 HydrophobicContact SD-CG2 3.83Å; M118-H164 HydrophobicContact CE-CB 3.62Å; M118-H164 WeakPolarHBondContact CE-CD2 3.4Å |
| 119 | A | 96.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 15% | 0.149 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57 | -54.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F15 P115 R116 Y117 L121 M122 D123 | F15-A119 HydrophobicContact CE1-CB 4.49Å; F15-A119 HydrophobicContact CZ-CB 3.95Å; P115-A119 PolarHBondContact O-N 3.28Å; R116-A119 PolarHBondContact O-N 3.2Å; Y117-A119 VanDerWaalsContact C-N 3.34Å; Y117-A119 PolarHBondContact O-N 3.22Å; A119-L121 VanDerWaalsContact C-N 3.3Å; A119-L121 PolarHBondContact O-N 3.13Å; A119-M122 PolarHBondContact O-N 3.31Å; A119-D123 WeakPolarHBondContact O-CB 3.43Å; A119-D123 VanDerWaalsContact O-CG 3.22Å; A119-D123 PolarHBondContact O-N 3.24Å |
| 120 | L | 97.7 | Very high | 97.2 | Very high | 23 Ų | 23 | 32.3 Ų | 32.3 | 12% | 0.12 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 179.4 | -65.4 | 171.3 | 0 | 0 | 0 | 112.3 | W100 Y106 L112 R116 Y117 W124 | W100-L120 HydrophobicContact CD2-CB 4.12Å; W100-L120 HydrophobicContact CD2-CD1 4.31Å; W100-L120 HydrophobicContact CE3-CB 4.46Å; W100-L120 HydrophobicContact CG-CD1 4.09Å; W100-L120 HydrophobicContact CH2-CB 4.12Å; W100-L120 WeakPolarHBondContact CH2-O 3.49Å; W100-L120 HydrophobicContact CZ2-CB 3.74Å; W100-L120 HydrophobicContact CZ3-CB 4.46Å; Y106-L120 HydrophobicContact CD2-CD1 4.14Å; Y106-L120 HydrophobicContact CE2-CD1 3.54Å; Y106-L120 HydrophobicContact CE2-CD2 4.47Å; L112-L120 HydrophobicContact CD1-CD1 3.45Å; L112-L120 VanDerWaalsContact CD1-CD1 3.45Å; R116-L120 HydrophobicContact CG-CD1 4.48Å; R116-L120 WeakPolarHBondContact O-CG 3.21Å; R116-L120 PolarHBondContact O-N 3.34Å; Y117-L120 PolarHBondContact O-N 3.32Å; L120-W124 WeakPolarHBondContact O-CB 3.37Å; L120-W124 PolarHBondContact O-N 3.09Å |
| 121 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.9 | -52 | 176.9 | 175.2 | 59.5 | 0 | 0 | 0 | 111.7 | W100 Y117 M118 A119 D123 W124 I125 R157 V161 | W100-L121 HydrophobicContact CH2-CB 4.35Å; W100-L121 HydrophobicContact CZ3-CB 3.91Å; W100-L121 HydrophobicContact CZ3-CD1 4.16Å; Y117-L121 HydrophobicContact CD1-CB 4.37Å; Y117-L121 HydrophobicContact CE1-CB 4.25Å; Y117-L121 HydrophobicContact CE1-CD2 4.11Å; Y117-L121 VanDerWaalsContact O-CB 3.31Å; Y117-L121 WeakPolarHBondContact O-CB 3.35Å; Y117-L121 PolarHBondContact O-N 3.29Å; M118-L121 PolarHBondContact O-N 2.89Å; A119-L121 VanDerWaalsContact C-N 3.3Å; A119-L121 PolarHBondContact O-N 3.13Å; L121-D123 VanDerWaalsContact C-N 3.35Å; L121-W124 HydrophobicContact CD1-CE3 4.13Å; L121-W124 PolarHBondContact O-N 3.34Å; L121-I125 HydrophobicContact CD1-CD1 3.65Å; L121-I125 HydrophobicContact CD1-CG1 4.07Å; L121-I125 HydrophobicContact CG-CD1 3.97Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 3.11Å; L121-R157 HydrophobicContact CD1-CB 3.45Å; L121-R157 VanDerWaalsContact CD1-CB 3.45Å; L121-R157 HydrophobicContact CD1-CG 4.27Å; L121-R157 HydrophobicContact CD2-CB 4.44Å; L121-R157 WeakPolarHBondContact CD2-O 3.27Å; L121-V161 HydrophobicContact CD2-CG2 3.61Å |
| 122 | M | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.2 | -38.8 | -176.9 | -62.7 | -63.5 | -176.9 | 0 | 0 | 111.1 | F15 R16 F68 I71 N72 M118 A119 I125 E126 V161 | F15-M122 HydrophobicContact CD1-CB 3.96Å; F15-M122 HydrophobicContact CD1-CG 3.76Å; F15-M122 HydrophobicContact CE1-CB 3.93Å; F15-M122 HydrophobicContact CE1-CG 3.95Å; R16-M122 HydrophobicContact CG-CB 3.94Å; F68-M122 HydrophobicContact CD2-SD 4.22Å; F68-M122 HydrophobicContact CE2-CB 4.36Å; F68-M122 HydrophobicContact CE2-SD 3.8Å; I71-M122 HydrophobicContact CG2-CE 4.28Å; N72-M122 HydrophobicContact CB-CE 4.38Å; N72-M122 HydrophobicContact CB-SD 4.12Å; M118-M122 VanDerWaalsContact O-CG 3.27Å; M118-M122 WeakPolarHBondContact O-CG 3.34Å; M118-M122 PolarHBondContact O-N 3Å; A119-M122 PolarHBondContact O-N 3.31Å; M122-I125 PolarHBondContact O-N 2.98Å; M122-E126 WeakPolarHBondContact O-CB 3.49Å; M122-E126 PolarHBondContact O-N 3.25Å; M122-V161 HydrophobicContact CE-CG1 4.34Å; M122-V161 HydrophobicContact CE-CG2 4.02Å |
| 123 | D | 96.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 39.9 Ų | 39.9 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.8 | -42 | 174.4 | -68.8 | -16.6 | 0 | 0 | 0 | 111.8 | R16 A119 L121 E126 G127 | R16-D123 IonicContact CZ-OD1 3.96Å; R16-D123 IonicContact NE-OD1 3.39Å; R16-D123 PolarHBondContact NE-OD1 2.9Å; R16-D123 VanDerWaalsContact NH2-CG 3.35Å; R16-D123 IonicContact NH2-OD1 2.77Å; R16-D123 PolarHBondContact NH2-OD1 3.23Å; R16-D123 IonicContact NH2-OD2 3.01Å; R16-D123 PolarHBondContact NH2-OD2 3.29Å; A119-D123 WeakPolarHBondContact O-CB 3.43Å; A119-D123 VanDerWaalsContact O-CG 3.22Å; A119-D123 PolarHBondContact O-N 3.24Å; L121-D123 VanDerWaalsContact C-N 3.35Å; D123-E126 PolarHBondContact O-N 3.39Å; D123-G127 PolarHBondContact O-N 2.95Å |
| 124 | W | 97.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | 178.9 | 173.9 | 71.8 | 0 | 0 | 0 | 112.2 | W100 L120 L121 G127 L128 K153 I154 R157 | W100-W124 HydrophobicContact CH2-CB 3.92Å; W100-W124 HydrophobicContact CH2-CG 4.26Å; W100-W124 HydrophobicContact CZ2-CB 4.19Å; L120-W124 WeakPolarHBondContact O-CB 3.37Å; L120-W124 PolarHBondContact O-N 3.09Å; L121-W124 HydrophobicContact CD1-CE3 4.13Å; L121-W124 PolarHBondContact O-N 3.34Å; W124-G127 PolarHBondContact O-N 3.47Å; W124-L128 HydrophobicContact CD2-CD1 4.13Å; W124-L128 HydrophobicContact CE3-CD1 4.48Å; W124-L128 HydrophobicContact CH2-CD1 3.77Å; W124-L128 HydrophobicContact CZ2-CD1 3.39Å; W124-L128 HydrophobicContact CZ3-CD1 4.31Å; W124-L128 WeakPolarHBondContact O-CG 3.42Å; W124-L128 PolarHBondContact O-N 3.21Å; W124-K153 HydrophobicContact CH2-CB 4.22Å; W124-K153 HydrophobicContact CH2-CD 3.93Å; W124-K153 HydrophobicContact CH2-CG 3.73Å; W124-K153 HydrophobicContact CZ2-CD 3.9Å; W124-K153 HydrophobicContact CZ2-CG 4.23Å; W124-I154 HydrophobicContact CH2-CG1 3.95Å; W124-I154 HydrophobicContact CZ3-CG1 4.02Å; W124-R157 VanDerWaalsContact CZ3-CD 3.44Å |
| 125 | I | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -43.5 | 176.2 | -61.6 | 168.6 | 0 | 0 | 0 | 110.1 | F68 L121 M122 G127 L128 I129 I154 L158 | F68-I125 HydrophobicContact CB-CG2 4.29Å; F68-I125 HydrophobicContact CD2-CB 3.89Å; F68-I125 HydrophobicContact CD2-CD1 4.37Å; F68-I125 HydrophobicContact CD2-CG2 3.42Å; F68-I125 VanDerWaalsContact CD2-CG2 3.42Å; F68-I125 HydrophobicContact CE2-CB 3.97Å; F68-I125 HydrophobicContact CE2-CG2 3.94Å; F68-I125 HydrophobicContact CG-CG2 3.97Å; L121-I125 HydrophobicContact CD1-CD1 3.65Å; L121-I125 HydrophobicContact CD1-CG1 4.07Å; L121-I125 HydrophobicContact CG-CD1 3.97Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 3.11Å; M122-I125 PolarHBondContact O-N 2.98Å; I125-G127 VanDerWaalsContact C-N 3.29Å; I125-G127 PolarHBondContact O-N 2.86Å; I125-L128 PolarHBondContact O-N 2.94Å; I125-L128 VanDerWaalsContact O-N 3.14Å; I125-I129 HydrophobicContact CG2-CG2 4.12Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 WeakPolarHBondContact O-CG2 3.37Å; I125-I129 PolarHBondContact O-N 3.29Å; I125-I154 HydrophobicContact CD1-CG2 4.05Å; I125-I154 HydrophobicContact CG1-CG1 4.46Å; I125-I154 HydrophobicContact CG1-CG2 4.05Å; I125-I154 HydrophobicContact CG2-CG2 3.79Å; I125-L158 HydrophobicContact CD1-CD1 4.33Å; I125-L158 HydrophobicContact CD1-CD2 3.53Å; I125-L158 HydrophobicContact CD1-CG 3.63Å |
| 126 | E | 96.1 | Very high | 96.4 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 177.4 | 176.8 | 165.5 | -138.2 | 0 | 0 | 112 | K19 F68 M122 D123 L128 I129 N130 | K19-E126 WeakPolarHBondContact CE-OE1 3Å; K19-E126 IonicContact NZ-OE1 3.4Å; K19-E126 PolarHBondContact NZ-OE1 3.2Å; F68-E126 HydrophobicContact CZ-CB 4.05Å; M122-E126 WeakPolarHBondContact O-CB 3.49Å; M122-E126 PolarHBondContact O-N 3.25Å; D123-E126 PolarHBondContact O-N 3.39Å; E126-L128 PolarHBondContact O-N 3.41Å; E126-I129 WeakPolarHBondContact O-CG1 3.18Å; E126-N130 WeakPolarHBondContact CG-ND2 3.25Å; E126-N130 WeakPolarHBondContact O-CB 3.28Å; E126-N130 PolarHBondContact O-N 3.01Å; E126-N130 PolarHBondContact O-ND2 3.32Å |
| 127 | G | 96 | Very high | 95.8 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 45% | 0.454 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D123 W124 I125 N130 D131 | D123-G127 PolarHBondContact O-N 2.95Å; W124-G127 PolarHBondContact O-N 3.47Å; I125-G127 VanDerWaalsContact C-N 3.29Å; I125-G127 PolarHBondContact O-N 2.86Å; G127-N130 PolarHBondContact O-N 3.39Å; G127-D131 WeakPolarHBondContact O-CB 3.37Å; G127-D131 PolarHBondContact O-N 2.86Å |
| 128 | L | 96.8 | Very high | 95.2 | Very high | 30 Ų | 30 | 45.3 Ų | 45.3 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67 | -44.6 | -178.9 | -69 | 171.8 | 0 | 0 | 0 | 113.1 | W124 I125 E126 N130 D131 V134 F135 V150 I154 | W124-L128 HydrophobicContact CD2-CD1 4.13Å; W124-L128 HydrophobicContact CE3-CD1 4.48Å; W124-L128 HydrophobicContact CH2-CD1 3.77Å; W124-L128 HydrophobicContact CZ2-CD1 3.39Å; W124-L128 HydrophobicContact CZ3-CD1 4.31Å; W124-L128 WeakPolarHBondContact O-CG 3.42Å; W124-L128 PolarHBondContact O-N 3.21Å; I125-L128 PolarHBondContact O-N 2.94Å; I125-L128 VanDerWaalsContact O-N 3.14Å; E126-L128 PolarHBondContact O-N 3.41Å; L128-N130 PolarHBondContact O-N 3.32Å; L128-D131 WeakPolarHBondContact O-CB 3.49Å; L128-D131 PolarHBondContact O-N 2.85Å; L128-V134 HydrophobicContact CD2-CG1 4.47Å; L128-V134 HydrophobicContact CD2-CG2 4.32Å; L128-F135 VanDerWaalsContact O-CD2 3.25Å; L128-F135 WeakPolarHBondContact O-CD2 3.35Å; L128-V150 HydrophobicContact CD1-CG1 4.04Å; L128-V150 HydrophobicContact CD2-CG1 4.45Å; L128-I154 HydrophobicContact CB-CD1 4.33Å; L128-I154 HydrophobicContact CD1-CD1 3.97Å; L128-I154 HydrophobicContact CD1-CG1 4Å |
| 129 | I | 96 | Very high | 94.4 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.4 | -19.4 | -177.6 | 66.5 | -171.1 | 0 | 0 | 0 | 113.2 | K19 V65 F68 I125 E126 F135 | K19-I129 HydrophobicContact CD-CD1 4.29Å; K19-I129 HydrophobicContact CG-CD1 3.68Å; V65-I129 HydrophobicContact CG2-CB 4.29Å; V65-I129 HydrophobicContact CG2-CG2 4.21Å; F68-I129 HydrophobicContact CD1-CD1 3.43Å; F68-I129 VanDerWaalsContact CD1-CD1 3.43Å; F68-I129 HydrophobicContact CE1-CD1 3.57Å; F68-I129 HydrophobicContact CG-CD1 4Å; F68-I129 HydrophobicContact CZ-CD1 4.24Å; I125-I129 HydrophobicContact CG2-CG2 4.12Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 WeakPolarHBondContact O-CG2 3.37Å; I125-I129 PolarHBondContact O-N 3.29Å; E126-I129 WeakPolarHBondContact O-CG1 3.18Å; I129-F135 HydrophobicContact CG2-CE1 4.32Å; I129-F135 HydrophobicContact CG2-CE2 4.19Å; I129-F135 HydrophobicContact CG2-CZ 4.09Å |
| 130 | N | 93.5 | Very high | 93.8 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -9 | 174.7 | -61.2 | -29.9 | 0 | 0 | 0 | 112.7 | K19 E126 G127 L128 E132 | K19-N130 WeakPolarHBondContact CE-OD1 3.46Å; K19-N130 PolarHBondContact NZ-ND2 3.42Å; K19-N130 PolarHBondContact NZ-OD1 3.34Å; E126-N130 WeakPolarHBondContact CG-ND2 3.25Å; E126-N130 WeakPolarHBondContact O-CB 3.28Å; E126-N130 PolarHBondContact O-N 3.01Å; E126-N130 PolarHBondContact O-ND2 3.32Å; G127-N130 PolarHBondContact O-N 3.39Å; L128-N130 PolarHBondContact O-N 3.32Å; N130-E132 PolarHBondContact O-N 3.02Å |
| 131 | D | 95.4 | Very high | 93.5 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | trans | -82.7 | 112.2 | -179 | -172 | -18.8 | 0 | 0 | 0 | 109.7 | G127 L128 E133 V134 F135 | G127-D131 WeakPolarHBondContact O-CB 3.37Å; G127-D131 PolarHBondContact O-N 2.86Å; L128-D131 WeakPolarHBondContact O-CB 3.49Å; L128-D131 PolarHBondContact O-N 2.85Å; D131-E133 PolarHBondContact O-N 3.42Å; D131-E133 WeakPolarHBondContact OD1-CB 3.35Å; D131-E133 PolarHBondContact OD1-N 3.39Å; D131-V134 HydrophobicContact CB-CB 4.22Å; D131-V134 HydrophobicContact CB-CG2 4.01Å; D131-V134 PolarHBondContact O-N 3.21Å; D131-F135 PolarHBondContact O-N 3.39Å | ||
| 132 | E | 94.1 | Very high | 93.3 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.4 | 179.6 | -71.8 | -168 | 178.3 | 0 | 0 | 112.9 | N130 V134 P136 T137 R138 | N130-E132 PolarHBondContact O-N 3.02Å; E132-V134 VanDerWaalsContact C-N 3.32Å; E132-P136 VanDerWaalsContact O-CA 3.24Å; E132-P136 WeakPolarHBondContact O-CA 3.42Å; E132-P136 WeakPolarHBondContact O-CB 3.47Å; E132-T137 PolarHBondContact OE1-OG1 3.39Å; E132-R138 IonicContact OE2-CZ 2.74Å; E132-R138 IonicContact OE2-NE 3.62Å; E132-R138 PolarHBondContact OE2-NE 3.01Å; E132-R138 IonicContact OE2-NH2 3.21Å; E132-R138 PolarHBondContact OE2-NH2 3.42Å |
| 133 | E | 95.8 | Very high | 93.3 | Very high | 163 Ų | 163 | 63.3 Ų | 63.3 | 76% | 0.762 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23 | 173.3 | -57.7 | -166.6 | 137.5 | 0 | 0 | 112 | D131 | D131-E133 PolarHBondContact O-N 3.42Å; D131-E133 WeakPolarHBondContact OD1-CB 3.35Å; D131-E133 PolarHBondContact OD1-N 3.39Å |
| 134 | V | 96.6 | Very high | 93.4 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 12% | 0.121 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -45.1 | 179.8 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | L128 D131 E132 P136 P144 F147 V150 | L128-V134 HydrophobicContact CD2-CG1 4.47Å; L128-V134 HydrophobicContact CD2-CG2 4.32Å; D131-V134 HydrophobicContact CB-CB 4.22Å; D131-V134 HydrophobicContact CB-CG2 4.01Å; D131-V134 PolarHBondContact O-N 3.21Å; E132-V134 VanDerWaalsContact C-N 3.32Å; V134-P136 VanDerWaalsContact C-CD 3.46Å; V134-P136 WeakPolarHBondContact O-CD 3.33Å; V134-P144 WeakPolarHBondContact O-CD 3.1Å; V134-F147 WeakPolarHBondContact O-CD2 3.26Å; V134-V150 HydrophobicContact CG1-CG1 3.95Å |
| 135 | F | 96.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 69.6 Ų | 69.6 | 2% | 0.022 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -120 | 66.3 | -178.8 | -80.2 | -103.8 | 0 | 0 | 0 | 111.2 | R27 A61 V64 V65 L128 I129 D131 T137 F147 I154 | R27-F135 PolarHBondContact NH1-O 3.43Å; R27-F135 VanDerWaalsContact NH1-O 3.13Å; A61-F135 HydrophobicContact CB-CD1 4.03Å; A61-F135 HydrophobicContact CB-CE1 4.02Å; V64-F135 HydrophobicContact CB-CE1 4.45Å; V64-F135 HydrophobicContact CG1-CE1 4.27Å; V64-F135 HydrophobicContact CG1-CZ 3.97Å; V65-F135 HydrophobicContact CG2-CD1 4.46Å; V65-F135 HydrophobicContact CG2-CE1 4.37Å; L128-F135 VanDerWaalsContact O-CD2 3.25Å; L128-F135 WeakPolarHBondContact O-CD2 3.35Å; I129-F135 HydrophobicContact CG2-CE1 4.32Å; I129-F135 HydrophobicContact CG2-CE2 4.19Å; I129-F135 HydrophobicContact CG2-CZ 4.09Å; D131-F135 PolarHBondContact O-N 3.39Å; F135-T137 PolarHBondContact O-N 3.12Å; F135-F147 HydrophobicContact CD1-CE2 4.13Å; F135-F147 HydrophobicContact CD1-CZ 4.45Å; F135-F147 HydrophobicContact CD2-CE2 4.2Å; F135-F147 AromaticContact CE1-CE2 3.87Å; F135-F147 HydrophobicContact CE1-CE2 3.87Å; F135-F147 HydrophobicContact CE1-CZ 4.02Å; F135-F147 AromaticContact CE2-CE2 3.93Å; F135-F147 HydrophobicContact CE2-CE2 3.93Å; F135-F147 HydrophobicContact CG-CE2 4.28Å; F135-F147 AromaticContact CZ-CE2 3.75Å; F135-F147 HydrophobicContact CZ-CE2 3.75Å; F135-F147 HydrophobicContact CZ-CZ 4.18Å; F135-I154 HydrophobicContact CE2-CD1 4.14Å; F135-I154 HydrophobicContact CZ-CD1 4.16Å |
| 136 | P | 93 | Very high | 93.3 | Very high | 7 Ų | 7 | 73.2 Ų | 73.2 | 5% | 0.045 | 41% | 0.405 | C | S | . | . | trans | -58.6 | 122.5 | -172.1 | 23.5 | -35.2 | 0 | 0 | 0 | 112.7 | R27 E132 V134 V141 F143 | R27-P136 PolarHBondContact NH1-O 3.14Å; R27-P136 PolarHBondContact NH2-O 2.77Å; E132-P136 VanDerWaalsContact O-CA 3.24Å; E132-P136 WeakPolarHBondContact O-CA 3.42Å; E132-P136 WeakPolarHBondContact O-CB 3.47Å; V134-P136 VanDerWaalsContact C-CD 3.46Å; V134-P136 WeakPolarHBondContact O-CD 3.33Å; P136-V141 HydrophobicContact CB-CB 3.95Å; P136-V141 HydrophobicContact CB-CG1 3.59Å; P136-V141 HydrophobicContact CG-CG1 4.38Å; P136-F143 HydrophobicContact CG-CD1 3.98Å; P136-F143 HydrophobicContact CG-CE1 4.31Å; P136-F143 HydrophobicContact CG-CG 4.22Å | ||
| 137 | T | 85.9 | Confident | 93.5 | Very high | 57 Ų | 57 | 71.7 Ų | 71.7 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | trans | -88.1 | -16.5 | -177.1 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | E132 F135 | E132-T137 PolarHBondContact OE1-OG1 3.39Å; F135-T137 PolarHBondContact O-N 3.12Å | ||
| 138 | R | 84.7 | Confident | 93.5 | Very high | 161 Ų | 161 | 73.4 Ų | 73.4 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -86.9 | 134.8 | -173.6 | -57.8 | -179.8 | -161.6 | 179.9 | 7.9 | 111.5 | E132 G140 V141 | E132-R138 IonicContact OE2-CZ 2.74Å; E132-R138 IonicContact OE2-NE 3.62Å; E132-R138 PolarHBondContact OE2-NE 3.01Å; E132-R138 IonicContact OE2-NH2 3.21Å; E132-R138 PolarHBondContact OE2-NH2 3.42Å; R138-G140 PolarHBondContact O-N 3.39Å; R138-V141 HydrophobicContact CB-CG2 3.85Å; R138-V141 PolarHBondContact O-N 2.98Å |
| 139 | V | 82.3 | Confident | 93.6 | Very high | 132 Ų | 132 | 78.8 Ų | 78.8 | 80% | 0.8 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 132.7 | 176 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | V141 | V139-V141 VanDerWaalsContact C-N 3.33Š|
| 140 | G | 84.4 | Confident | 93.7 | Very high | 78 Ų | 78 | 79.1 Ų | 79.1 | 80% | 0.804 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R138 | R138-G140 PolarHBondContact O-N 3.39Š|
| 141 | V | 91 | Very high | 94 | Very high | 72 Ų | 72 | 74.9 Ų | 74.9 | 44% | 0.436 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 118.4 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 109 | P136 R138 V139 | P136-V141 HydrophobicContact CB-CB 3.95Å; P136-V141 HydrophobicContact CB-CG1 3.59Å; P136-V141 HydrophobicContact CG-CG1 4.38Å; R138-V141 HydrophobicContact CB-CG2 3.85Å; R138-V141 PolarHBondContact O-N 2.98Å; V139-V141 VanDerWaalsContact C-N 3.33Å |
| 142 | P | 93.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 74.2 Ų | 74.2 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 151.6 | -179.7 | 31 | -35 | 0 | 0 | 0 | 111.5 | ||
| 143 | F | 96.7 | Very high | 94.3 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 13% | 0.127 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 154.2 | 168.1 | -71.9 | -86.4 | 0 | 0 | 0 | 111.7 | D57 D58 A61 P136 F147 | D57-F143 HydrophobicContact CB-CB 4.43Å; D57-F143 HydrophobicContact CB-CD2 3.37Å; D57-F143 HydrophobicContact CB-CE2 3.53Å; D57-F143 HydrophobicContact CB-CG 3.88Å; D57-F143 HydrophobicContact CB-CZ 4.13Å; D58-F143 HydrophobicContact CB-CE2 4.44Å; D58-F143 WeakPolarHBondContact OD1-CE2 3.31Å; A61-F143 HydrophobicContact CB-CE1 3.9Å; A61-F143 HydrophobicContact CB-CZ 3.77Å; P136-F143 HydrophobicContact CG-CD1 3.98Å; P136-F143 HydrophobicContact CG-CE1 4.31Å; P136-F143 HydrophobicContact CG-CG 4.22Å; F143-F147 HydrophobicContact CB-CB 3.89Å; F143-F147 HydrophobicContact CB-CD1 4.27Å; F143-F147 HydrophobicContact CB-CD2 4.41Å; F143-F147 HydrophobicContact CB-CG 3.93Å; F143-F147 HydrophobicContact CD1-CB 4.41Å; F143-F147 AromaticContact CD1-CD1 3.8Å; F143-F147 HydrophobicContact CD1-CD1 3.8Å; F143-F147 AromaticContact CD1-CD2 3.4Å; F143-F147 HydrophobicContact CD1-CD2 3.4Å; F143-F147 VanDerWaalsContact CD1-CD2 3.4Å; F143-F147 AromaticContact CD1-CE1 3.83Å; F143-F147 HydrophobicContact CD1-CE1 3.83Å; F143-F147 AromaticContact CD1-CE2 3.43Å; F143-F147 HydrophobicContact CD1-CE2 3.43Å; F143-F147 VanDerWaalsContact CD1-CE2 3.43Å; F143-F147 AromaticContact CD1-CG 3.59Å; F143-F147 HydrophobicContact CD1-CG 3.59Å; F143-F147 AromaticContact CD1-CZ 3.65Å; F143-F147 HydrophobicContact CD1-CZ 3.65Å; F143-F147 HydrophobicContact CE1-CD1 4.23Å; F143-F147 AromaticContact CE1-CD2 3.97Å; F143-F147 HydrophobicContact CE1-CD2 3.97Å; F143-F147 AromaticContact CE1-CE1 3.77Å; F143-F147 HydrophobicContact CE1-CE1 3.77Å; F143-F147 AromaticContact CE1-CE2 3.48Å; F143-F147 HydrophobicContact CE1-CE2 3.48Å; F143-F147 VanDerWaalsContact CE1-CE2 3.48Å; F143-F147 HydrophobicContact CE1-CG 4.32Å; F143-F147 AromaticContact CE1-CZ 3.37Å; F143-F147 HydrophobicContact CE1-CZ 3.37Å; F143-F147 HydrophobicContact CG-CB 4.5Å; F143-F147 HydrophobicContact CG-CD1 4.07Å; F143-F147 HydrophobicContact CG-CD2 4.26Å; F143-F147 HydrophobicContact CG-CE1 4.37Å; F143-F147 HydrophobicContact CG-CG 4Å; F143-F147 HydrophobicContact CZ-CE1 4.28Å; F143-F147 HydrophobicContact CZ-CZ 4.15Å |
| 144 | P | 97.4 | Very high | 94.5 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 151.8 | 174.3 | 29.5 | -36.6 | 0 | 0 | 0 | 111 | V134 N146 F147 | V134-P144 WeakPolarHBondContact O-CD 3.1Å; P144-N146 PolarHBondContact O-N 2.86Å; P144-F147 HydrophobicContact CG-CB 4.04Å; P144-F147 WeakPolarHBondContact O-CB 3.49Å; P144-F147 PolarHBondContact O-N 3.4Å |
| 145 | K | 97.4 | Very high | 94.6 | Very high | 226 Ų | 226 | 66.2 Ų | 66.2 | 98% | 0.983 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.2 | -175.7 | -66.2 | -174.9 | 179.6 | -179.8 | 0 | 114.2 | ||
| 146 | N | 97.4 | Very high | 94.7 | Very high | 77 Ų | 77 | 66.8 Ų | 66.8 | 41% | 0.412 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 12.5 | 178.7 | 68 | -30.2 | 0 | 0 | 0 | 113.2 | P144 Q148 Q149 V150 | P144-N146 PolarHBondContact O-N 2.86Å; N146-Q148 PolarHBondContact O-N 3.07Å; N146-Q149 WeakPolarHBondContact O-CA 3.48Å; N146-Q149 WeakPolarHBondContact O-CB 3.06Å; N146-Q149 PolarHBondContact O-N 2.79Å; N146-V150 PolarHBondContact O-N 3.14Å |
| 147 | F | 98.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.009 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -52.2 | -50.5 | -173.4 | 175.7 | -108.9 | 0 | 0 | 0 | 113.5 | D57 I60 A61 V134 F135 F143 P144 Q149 V150 C151 | D57-F147 HydrophobicContact CB-CD1 3.69Å; D57-F147 HydrophobicContact CB-CE1 3.77Å; D57-F147 WeakPolarHBondContact O-CE1 3.47Å; I60-F147 HydrophobicContact CB-CE1 4.35Å; I60-F147 HydrophobicContact CG2-CE1 4.15Å; A61-F147 HydrophobicContact CB-CZ 3.8Å; V134-F147 WeakPolarHBondContact O-CD2 3.26Å; F135-F147 HydrophobicContact CD1-CE2 4.13Å; F135-F147 HydrophobicContact CD1-CZ 4.45Å; F135-F147 HydrophobicContact CD2-CE2 4.2Å; F135-F147 AromaticContact CE1-CE2 3.87Å; F135-F147 HydrophobicContact CE1-CE2 3.87Å; F135-F147 HydrophobicContact CE1-CZ 4.02Å; F135-F147 AromaticContact CE2-CE2 3.93Å; F135-F147 HydrophobicContact CE2-CE2 3.93Å; F135-F147 HydrophobicContact CG-CE2 4.28Å; F135-F147 AromaticContact CZ-CE2 3.75Å; F135-F147 HydrophobicContact CZ-CE2 3.75Å; F135-F147 HydrophobicContact CZ-CZ 4.18Å; F143-F147 HydrophobicContact CB-CB 3.89Å; F143-F147 HydrophobicContact CB-CD1 4.27Å; F143-F147 HydrophobicContact CB-CD2 4.41Å; F143-F147 HydrophobicContact CB-CG 3.93Å; F143-F147 HydrophobicContact CD1-CB 4.41Å; F143-F147 AromaticContact CD1-CD1 3.8Å; F143-F147 HydrophobicContact CD1-CD1 3.8Å; F143-F147 AromaticContact CD1-CD2 3.4Å; F143-F147 HydrophobicContact CD1-CD2 3.4Å; F143-F147 VanDerWaalsContact CD1-CD2 3.4Å; F143-F147 AromaticContact CD1-CE1 3.83Å; F143-F147 HydrophobicContact CD1-CE1 3.83Å; F143-F147 AromaticContact CD1-CE2 3.43Å; F143-F147 HydrophobicContact CD1-CE2 3.43Å; F143-F147 VanDerWaalsContact CD1-CE2 3.43Å; F143-F147 AromaticContact CD1-CG 3.59Å; F143-F147 HydrophobicContact CD1-CG 3.59Å; F143-F147 AromaticContact CD1-CZ 3.65Å; F143-F147 HydrophobicContact CD1-CZ 3.65Å; F143-F147 HydrophobicContact CE1-CD1 4.23Å; F143-F147 AromaticContact CE1-CD2 3.97Å; F143-F147 HydrophobicContact CE1-CD2 3.97Å; F143-F147 AromaticContact CE1-CE1 3.77Å; F143-F147 HydrophobicContact CE1-CE1 3.77Å; F143-F147 AromaticContact CE1-CE2 3.48Å; F143-F147 HydrophobicContact CE1-CE2 3.48Å; F143-F147 VanDerWaalsContact CE1-CE2 3.48Å; F143-F147 HydrophobicContact CE1-CG 4.32Å; F143-F147 AromaticContact CE1-CZ 3.37Å; F143-F147 HydrophobicContact CE1-CZ 3.37Å; F143-F147 HydrophobicContact CG-CB 4.5Å; F143-F147 HydrophobicContact CG-CD1 4.07Å; F143-F147 HydrophobicContact CG-CD2 4.26Å; F143-F147 HydrophobicContact CG-CE1 4.37Å; F143-F147 HydrophobicContact CG-CG 4Å; F143-F147 HydrophobicContact CZ-CE1 4.28Å; F143-F147 HydrophobicContact CZ-CZ 4.15Å; P144-F147 HydrophobicContact CG-CB 4.04Å; P144-F147 WeakPolarHBondContact O-CB 3.49Å; P144-F147 PolarHBondContact O-N 3.4Å; F147-Q149 PolarHBondContact O-N 3.17Å; F147-V150 WeakPolarHBondContact O-CA 3.42Å; F147-V150 WeakPolarHBondContact O-CB 3.27Å; F147-V150 PolarHBondContact O-N 3.31Å; F147-C151 VanDerWaalsContact CE2-SG 3.51Å; F147-C151 WeakPolarHBondContact CZ-SG 3.27Å; F147-C151 PolarHBondContact O-N 3.45Å |
| 148 | Q | 98 | Very high | 95.5 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -33.2 | 179.3 | -65.2 | -172.7 | 12.6 | 0 | 0 | 112.5 | D57 I60 N146 C151 T152 | D57-Q148 VanDerWaalsContact OD1-CG 3.29Å; D57-Q148 WeakPolarHBondContact OD1-CG 3.23Å; D57-Q148 PolarHBondContact OD1-NE2 3.37Å; I60-Q148 HydrophobicContact CD1-CG 4.13Å; N146-Q148 PolarHBondContact O-N 3.07Å; Q148-C151 PolarHBondContact O-N 3.49Å; Q148-T152 WeakPolarHBondContact O-CB 3.32Å; Q148-T152 PolarHBondContact O-N 2.78Å; Q148-T152 PolarHBondContact O-OG1 2.82Å |
| 149 | Q | 98.2 | Very high | 96.2 | Very high | 143 Ų | 143 | 57.3 Ų | 57.3 | 67% | 0.668 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 174.6 | -58.7 | 176.2 | -0.8 | 0 | 0 | 111.4 | N146 F147 K153 | N146-Q149 WeakPolarHBondContact O-CA 3.48Å; N146-Q149 WeakPolarHBondContact O-CB 3.06Å; N146-Q149 PolarHBondContact O-N 2.79Å; F147-Q149 PolarHBondContact O-N 3.17Å; Q149-K153 PolarHBondContact O-N 3.14Å |
| 150 | V | 98.3 | Very high | 96.9 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 173.1 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L128 V134 N146 F147 T152 K153 I154 | L128-V150 HydrophobicContact CD1-CG1 4.04Å; L128-V150 HydrophobicContact CD2-CG1 4.45Å; V134-V150 HydrophobicContact CG1-CG1 3.95Å; N146-V150 PolarHBondContact O-N 3.14Å; F147-V150 WeakPolarHBondContact O-CA 3.42Å; F147-V150 WeakPolarHBondContact O-CB 3.27Å; F147-V150 PolarHBondContact O-N 3.31Å; V150-T152 PolarHBondContact O-N 3.5Å; V150-K153 WeakPolarHBondContact O-CB 3.46Å; V150-K153 PolarHBondContact O-N 3.07Å; V150-K153 VanDerWaalsContact O-N 3.15Å; V150-I154 HydrophobicContact CG1-CD1 4.06Å; V150-I154 WeakPolarHBondContact O-CG1 3.17Å; V150-I154 PolarHBondContact O-N 3Å |
| 151 | C | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 177.2 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | I60 V64 F147 Q148 K153 I154 L155 | I60-C151 HydrophobicContact CG2-CB 3.7Å; V64-C151 HydrophobicContact CG2-CB 4.04Å; F147-C151 VanDerWaalsContact CE2-SG 3.51Å; F147-C151 WeakPolarHBondContact CZ-SG 3.27Å; F147-C151 PolarHBondContact O-N 3.45Å; Q148-C151 PolarHBondContact O-N 3.49Å; C151-K153 VanDerWaalsContact C-N 3.34Å; C151-K153 PolarHBondContact O-N 3.25Å; C151-I154 PolarHBondContact O-N 3.18Å; C151-L155 WeakPolarHBondContact O-CB 3.49Å; C151-L155 VanDerWaalsContact O-CG 3.26Å; C151-L155 WeakPolarHBondContact O-CG 3.03Å; C151-L155 PolarHBondContact O-N 3.24Å |
| 152 | T | 98.6 | Very high | 97.9 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 29% | 0.288 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -54.1 | -49.7 | 170.9 | -78.2 | 0 | 0 | 0 | 0 | 110.9 | Q148 V150 I154 L155 T156 L198 | Q148-T152 WeakPolarHBondContact O-CB 3.32Å; Q148-T152 PolarHBondContact O-N 2.78Å; Q148-T152 PolarHBondContact O-OG1 2.82Å; V150-T152 PolarHBondContact O-N 3.5Å; T152-I154 VanDerWaalsContact C-N 3.32Å; T152-I154 PolarHBondContact O-N 3.45Å; T152-L155 PolarHBondContact O-N 3.32Å; T152-T156 WeakPolarHBondContact O-CB 3.38Å; T152-T156 PolarHBondContact O-N 3.29Å; T152-T156 PolarHBondContact O-OG1 3.17Å; T152-L198 WeakPolarHBondContact CA-O 3.26Å; T152-L198 VanDerWaalsContact CB-O 3.25Å; T152-L198 WeakPolarHBondContact CB-O 3.13Å; T152-L198 WeakPolarHBondContact CG2-O 3.47Å; T152-L198 PolarHBondContact OG1-O 3.01Å |
| 153 | K | 98.3 | Very high | 98.1 | Very high | 104 Ų | 104 | 40.8 Ų | 40.8 | 45% | 0.452 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 179.1 | -167.9 | 178 | 178.2 | 176 | 0 | 112.4 | W124 Q149 V150 C151 R157 | W124-K153 HydrophobicContact CH2-CB 4.22Å; W124-K153 HydrophobicContact CH2-CD 3.93Å; W124-K153 HydrophobicContact CH2-CG 3.73Å; W124-K153 HydrophobicContact CZ2-CD 3.9Å; W124-K153 HydrophobicContact CZ2-CG 4.23Å; Q149-K153 PolarHBondContact O-N 3.14Å; V150-K153 WeakPolarHBondContact O-CB 3.46Å; V150-K153 PolarHBondContact O-N 3.07Å; V150-K153 VanDerWaalsContact O-N 3.15Å; C151-K153 VanDerWaalsContact C-N 3.34Å; C151-K153 PolarHBondContact O-N 3.25Å; K153-R157 WeakPolarHBondContact O-CG 3.31Å; K153-R157 PolarHBondContact O-N 3.36Å |
| 154 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -53 | 174.4 | -68.6 | 167.7 | 0 | 0 | 0 | 110.1 | V64 W124 I125 L128 F135 V150 C151 T152 R157 L158 | V64-I154 HydrophobicContact CG1-CB 4.46Å; V64-I154 HydrophobicContact CG1-CD1 4.17Å; V64-I154 HydrophobicContact CG1-CG2 3.79Å; W124-I154 HydrophobicContact CH2-CG1 3.95Å; W124-I154 HydrophobicContact CZ3-CG1 4.02Å; I125-I154 HydrophobicContact CD1-CG2 4.05Å; I125-I154 HydrophobicContact CG1-CG1 4.46Å; I125-I154 HydrophobicContact CG1-CG2 4.05Å; I125-I154 HydrophobicContact CG2-CG2 3.79Å; L128-I154 HydrophobicContact CB-CD1 4.33Å; L128-I154 HydrophobicContact CD1-CD1 3.97Å; L128-I154 HydrophobicContact CD1-CG1 4Å; F135-I154 HydrophobicContact CE2-CD1 4.14Å; F135-I154 HydrophobicContact CZ-CD1 4.16Å; V150-I154 HydrophobicContact CG1-CD1 4.06Å; V150-I154 WeakPolarHBondContact O-CG1 3.17Å; V150-I154 PolarHBondContact O-N 3Å; C151-I154 PolarHBondContact O-N 3.18Å; T152-I154 VanDerWaalsContact C-N 3.32Å; T152-I154 PolarHBondContact O-N 3.45Å; I154-R157 PolarHBondContact O-N 3.41Å; I154-R157 VanDerWaalsContact O-N 3.17Å; I154-L158 HydrophobicContact CG2-CD1 3.79Å; I154-L158 HydrophobicContact CG2-CG 4.26Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 2.94Å |
| 155 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | -176.1 | -67.4 | 164.9 | 0 | 0 | 0 | 111.6 | V64 F67 C151 T152 R157 L158 F159 F189 F192 I193 L198 V199 | V64-L155 HydrophobicContact CG2-CD1 4.07Å; V64-L155 HydrophobicContact CG2-CD2 4.13Å; V64-L155 HydrophobicContact CG2-CG 4.1Å; F67-L155 HydrophobicContact CD2-CD2 4.11Å; C151-L155 WeakPolarHBondContact O-CB 3.49Å; C151-L155 VanDerWaalsContact O-CG 3.26Å; C151-L155 WeakPolarHBondContact O-CG 3.03Å; C151-L155 PolarHBondContact O-N 3.24Å; T152-L155 PolarHBondContact O-N 3.32Å; L155-R157 VanDerWaalsContact C-N 3.26Å; L155-R157 PolarHBondContact O-N 2.99Å; L155-L158 PolarHBondContact O-N 3.49Å; L155-F159 PolarHBondContact O-N 3.13Å; L155-F189 HydrophobicContact CB-CE2 4.37Å; L155-F189 HydrophobicContact CB-CZ 4.22Å; L155-F189 HydrophobicContact CD2-CD2 4.31Å; L155-F189 HydrophobicContact CD2-CE2 3.54Å; L155-F189 HydrophobicContact CD2-CZ 4.2Å; L155-F189 WeakPolarHBondContact O-CZ 3.49Å; L155-F192 HydrophobicContact CD1-CE1 4.46Å; L155-I193 HydrophobicContact CB-CG2 4.23Å; L155-I193 HydrophobicContact CD1-CG2 4.23Å; L155-I193 HydrophobicContact CD2-CG2 4.37Å; L155-L198 HydrophobicContact CD1-CB 3.85Å; L155-L198 HydrophobicContact CD1-CD1 3.49Å; L155-L198 VanDerWaalsContact CD1-CD1 3.49Å; L155-L198 HydrophobicContact CD1-CG 4.22Å; L155-V199 HydrophobicContact CB-CG2 3.97Å |
| 156 | T | 98.5 | Very high | 98 | Very high | 18 Ų | 18 | 27.5 Ų | 27.5 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.7 | -41.2 | 173.7 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | T152 E203 | T152-T156 WeakPolarHBondContact O-CB 3.38Å; T152-T156 PolarHBondContact O-N 3.29Å; T152-T156 PolarHBondContact O-OG1 3.17Å; T156-E203 HydrophobicContact CG2-CB 4.29Å; T156-E203 HydrophobicContact CG2-CG 3.83Å; T156-E203 VanDerWaalsContact CG2-OE2 3.31Å; T156-E203 WeakPolarHBondContact CG2-OE2 3.31Å |
| 157 | R | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 27.1 Ų | 27.1 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -76.1 | -34.7 | 178.7 | -69.2 | 176.4 | 164.9 | -160.9 | -6.5 | 112.6 | W100 Q101 L121 W124 K153 I154 L155 F159 R160 | W100-R157 VanDerWaalsContact CH2-NH1 3.3Å; Q101-R157 PolarHBondContact O-NH2 3.44Å; L121-R157 HydrophobicContact CD1-CB 3.45Å; L121-R157 VanDerWaalsContact CD1-CB 3.45Å; L121-R157 HydrophobicContact CD1-CG 4.27Å; L121-R157 HydrophobicContact CD2-CB 4.44Å; L121-R157 WeakPolarHBondContact CD2-O 3.27Å; W124-R157 VanDerWaalsContact CZ3-CD 3.44Å; K153-R157 WeakPolarHBondContact O-CG 3.31Å; K153-R157 PolarHBondContact O-N 3.36Å; I154-R157 PolarHBondContact O-N 3.41Å; I154-R157 VanDerWaalsContact O-N 3.17Å; L155-R157 VanDerWaalsContact C-N 3.26Å; L155-R157 PolarHBondContact O-N 2.99Å; R157-F159 VanDerWaalsContact C-N 3.3Å; R157-F159 PolarHBondContact O-N 2.89Å; R157-R160 WeakPolarHBondContact O-CB 3.38Å; R157-R160 PolarHBondContact O-N 3.31Å |
| 158 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 172 | -78.8 | 175.2 | 0 | 0 | 0 | 112.2 | F67 I71 I125 I154 L155 R160 V161 F189 | F67-L158 HydrophobicContact CB-CD1 4.44Å; I71-L158 HydrophobicContact CB-CD2 4.24Å; I71-L158 HydrophobicContact CD1-CB 3.85Å; I71-L158 HydrophobicContact CD1-CD1 4.22Å; I71-L158 HydrophobicContact CD1-CD2 4.11Å; I71-L158 HydrophobicContact CD1-CG 4.28Å; I71-L158 HydrophobicContact CG2-CD2 4.02Å; I125-L158 HydrophobicContact CD1-CD1 4.33Å; I125-L158 HydrophobicContact CD1-CD2 3.53Å; I125-L158 HydrophobicContact CD1-CG 3.63Å; I154-L158 HydrophobicContact CG2-CD1 3.79Å; I154-L158 HydrophobicContact CG2-CG 4.26Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 2.94Å; L155-L158 PolarHBondContact O-N 3.49Å; L158-R160 PolarHBondContact O-N 3.02Å; L158-V161 VanDerWaalsContact O-CB 3.27Å; L158-V161 WeakPolarHBondContact O-CB 3.24Å; L158-V161 WeakPolarHBondContact O-CG2 3.37Å; L158-V161 PolarHBondContact O-N 2.97Å; L158-F189 HydrophobicContact CB-CE2 4.22Å |
| 159 | F | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.3 | -38.3 | 174 | 176.7 | -101.6 | 0 | 0 | 0 | 112 | L155 R157 V161 F162 V163 Y186 F189 E203 L204 L207 | L155-F159 PolarHBondContact O-N 3.13Å; R157-F159 VanDerWaalsContact C-N 3.3Å; R157-F159 PolarHBondContact O-N 2.89Å; F159-V161 PolarHBondContact O-N 3.37Å; F159-V161 VanDerWaalsContact O-N 3.13Å; F159-F162 WeakPolarHBondContact O-CA 3.41Å; F159-F162 WeakPolarHBondContact O-CB 3.3Å; F159-F162 PolarHBondContact O-N 3.29Å; F159-V163 HydrophobicContact CD1-CG2 3.65Å; F159-V163 HydrophobicContact CE1-CG2 3.25Å; F159-V163 HydrophobicContact CG-CG2 4.42Å; F159-V163 HydrophobicContact CZ-CG2 3.76Å; F159-V163 WeakPolarHBondContact O-CG2 3.44Å; F159-V163 PolarHBondContact O-N 3.15Å; F159-Y186 HydrophobicContact CD2-CE2 4.2Å; F159-Y186 AromaticContact CE2-CE2 3.79Å; F159-Y186 HydrophobicContact CE2-CE2 3.79Å; F159-F189 HydrophobicContact CB-CE1 4.02Å; F159-F189 HydrophobicContact CB-CZ 4.15Å; F159-F189 HydrophobicContact CD2-CE1 4.08Å; F159-E203 WeakPolarHBondContact CE1-O 3.48Å; F159-L204 HydrophobicContact CD1-CD2 4.22Å; F159-L204 HydrophobicContact CD2-CD2 3.75Å; F159-L204 HydrophobicContact CE1-CD2 4.15Å; F159-L204 HydrophobicContact CE2-CD2 3.63Å; F159-L204 HydrophobicContact CG-CD2 4.04Å; F159-L204 HydrophobicContact CZ-CB 4.33Å; F159-L204 HydrophobicContact CZ-CD2 3.86Å; F159-L207 HydrophobicContact CE2-CB 4.39Å; F159-L207 HydrophobicContact CE2-CD1 3.9Å; F159-L207 HydrophobicContact CE2-CG 4.46Å; F159-L207 HydrophobicContact CZ-CB 3.96Å; F159-L207 HydrophobicContact CZ-CD1 3.92Å; F159-L207 HydrophobicContact CZ-CG 4.02Å |
| 160 | R | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 23.5 Ų | 23.5 | 15% | 0.151 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.2 | -26.2 | 177.4 | -56.5 | 172.5 | -176.2 | -174.9 | -5.2 | 112.8 | M90 Y98 Y117 R157 L158 V163 H164 E203 | M90-R160 HydrophobicContact CE-CB 3.94Å; M90-R160 WeakPolarHBondContact CE-O 3.47Å; Y98-R160 HydrophobicContact CD1-CG 3.94Å; Y98-R160 HydrophobicContact CD2-CB 4.4Å; Y98-R160 HydrophobicContact CD2-CG 4.49Å; Y98-R160 HydrophobicContact CE1-CG 3.76Å; Y98-R160 HydrophobicContact CE2-CB 4.26Å; Y98-R160 HydrophobicContact CE2-CG 4.32Å; Y98-R160 HydrophobicContact CG-CG 4.3Å; Y117-R160 WeakPolarHBondContact OH-CD 3.33Å; Y117-R160 PolarHBondContact OH-NH1 2.88Å; R157-R160 WeakPolarHBondContact O-CB 3.38Å; R157-R160 PolarHBondContact O-N 3.31Å; L158-R160 PolarHBondContact O-N 3.02Å; R160-V163 PolarHBondContact O-N 3.33Å; R160-H164 WeakPolarHBondContact O-CB 3.17Å; R160-H164 PolarHBondContact O-N 3.44Å; R160-E203 IonicContact NH2-OE2 3.24Å |
| 161 | V | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.5 | -45.1 | 173.7 | -170 | 0 | 0 | 0 | 0 | 110.5 | I71 Y75 M118 L121 M122 L158 F159 H164 V165 | I71-V161 HydrophobicContact CG2-CB 3.6Å; I71-V161 HydrophobicContact CG2-CG1 3.57Å; I71-V161 HydrophobicContact CG2-CG2 3.97Å; Y75-V161 HydrophobicContact CD2-CG1 4.44Å; Y75-V161 HydrophobicContact CG-CG1 4.47Å; M118-V161 HydrophobicContact CE-CB 4.42Å; M118-V161 HydrophobicContact CE-CG1 4.17Å; M118-V161 HydrophobicContact CE-CG2 4.46Å; M118-V161 HydrophobicContact SD-CB 4.37Å; M118-V161 HydrophobicContact SD-CG1 4.17Å; M118-V161 HydrophobicContact SD-CG2 3.83Å; L121-V161 HydrophobicContact CD2-CG2 3.61Å; M122-V161 HydrophobicContact CE-CG1 4.34Å; M122-V161 HydrophobicContact CE-CG2 4.02Å; L158-V161 VanDerWaalsContact O-CB 3.27Å; L158-V161 WeakPolarHBondContact O-CB 3.24Å; L158-V161 WeakPolarHBondContact O-CG2 3.37Å; L158-V161 PolarHBondContact O-N 2.97Å; F159-V161 PolarHBondContact O-N 3.37Å; F159-V161 VanDerWaalsContact O-N 3.13Å; V161-H164 PolarHBondContact O-N 2.91Å; V161-V165 HydrophobicContact CG1-CG2 4.29Å; V161-V165 VanDerWaalsContact O-CB 3.31Å; V161-V165 WeakPolarHBondContact O-CB 3.31Å; V161-V165 VanDerWaalsContact O-CG2 3.24Å; V161-V165 WeakPolarHBondContact O-CG2 3.44Å; V161-V165 PolarHBondContact O-N 3.37Å |
| 162 | F | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 172.5 | -73.3 | -65.7 | 0 | 0 | 0 | 111.1 | I71 I74 F159 H164 V165 Y166 V182 C185 Y186 F189 L207 | I71-F162 HydrophobicContact CD1-CD2 4.2Å; I71-F162 HydrophobicContact CD1-CE2 3.42Å; I71-F162 VanDerWaalsContact CD1-CE2 3.42Å; I71-F162 HydrophobicContact CD1-CZ 3.87Å; I71-F162 HydrophobicContact CG1-CE1 4.45Å; I71-F162 HydrophobicContact CG1-CE2 3.75Å; I71-F162 HydrophobicContact CG1-CZ 3.65Å; I74-F162 HydrophobicContact CD1-CE1 4.07Å; F159-F162 WeakPolarHBondContact O-CA 3.41Å; F159-F162 WeakPolarHBondContact O-CB 3.3Å; F159-F162 PolarHBondContact O-N 3.29Å; F162-H164 VanDerWaalsContact C-N 3.3Å; F162-H164 PolarHBondContact O-N 3.22Å; F162-V165 PolarHBondContact O-N 3.21Å; F162-Y166 HydrophobicContact CB-CD2 4.12Å; F162-Y166 HydrophobicContact CB-CE2 4.32Å; F162-Y166 HydrophobicContact CD1-CD2 4.38Å; F162-Y166 AromaticContact CD1-CE2 3.89Å; F162-Y166 HydrophobicContact CD1-CE2 3.89Å; F162-Y166 WeakPolarHBondContact O-CB 3.48Å; F162-Y166 WeakPolarHBondContact O-CD2 3.11Å; F162-Y166 PolarHBondContact O-N 3.05Å; F162-V182 HydrophobicContact CD1-CG1 4.49Å; F162-V182 HydrophobicContact CE1-CG1 4.46Å; F162-C185 HydrophobicContact CE1-CB 4.43Å; F162-C185 HydrophobicContact CZ-CB 4.36Å; F162-Y186 HydrophobicContact CB-CD2 3.97Å; F162-Y186 HydrophobicContact CB-CE2 4.26Å; F162-Y186 AromaticContact CD1-CD2 3.9Å; F162-Y186 HydrophobicContact CD1-CD2 3.9Å; F162-Y186 HydrophobicContact CD1-CG 4.46Å; F162-Y186 AromaticContact CD2-CD2 3.85Å; F162-Y186 HydrophobicContact CD2-CD2 3.85Å; F162-Y186 HydrophobicContact CD2-CE2 4.45Å; F162-Y186 HydrophobicContact CE1-CD2 4.29Å; F162-Y186 HydrophobicContact CE2-CD2 4.23Å; F162-Y186 AromaticContact CG-CD2 3.66Å; F162-Y186 HydrophobicContact CG-CD2 3.66Å; F162-Y186 HydrophobicContact CG-CE2 4.34Å; F162-Y186 HydrophobicContact CZ-CD2 4.44Å; F162-F189 HydrophobicContact CD2-CD1 4.34Å; F162-F189 HydrophobicContact CD2-CG 4.5Å; F162-F189 HydrophobicContact CE2-CB 3.93Å; F162-F189 HydrophobicContact CE2-CD1 4.02Å; F162-F189 HydrophobicContact CE2-CD2 4.1Å; F162-F189 AromaticContact CE2-CG 3.75Å; F162-F189 HydrophobicContact CE2-CG 3.75Å; F162-F189 HydrophobicContact CZ-CB 4.33Å; F162-L207 HydrophobicContact CB-CD1 4.01Å |
| 163 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.2 | -52 | 179 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | G92 Y98 F159 R160 I167 P206 L207 | G92-V163 VanDerWaalsContact CA-CG1 3.4Å; Y98-V163 HydrophobicContact CE2-CG1 4.3Å; F159-V163 HydrophobicContact CD1-CG2 3.65Å; F159-V163 HydrophobicContact CE1-CG2 3.25Å; F159-V163 HydrophobicContact CG-CG2 4.42Å; F159-V163 HydrophobicContact CZ-CG2 3.76Å; F159-V163 WeakPolarHBondContact O-CG2 3.44Å; F159-V163 PolarHBondContact O-N 3.15Å; R160-V163 PolarHBondContact O-N 3.33Å; V163-I167 HydrophobicContact CG1-CD1 3.67Å; V163-I167 WeakPolarHBondContact O-CB 3.35Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.33Å; V163-I167 PolarHBondContact O-N 2.99Å; V163-P206 HydrophobicContact CG1-CB 3.63Å; V163-P206 HydrophobicContact CG2-CB 3.99Å; V163-P206 HydrophobicContact CG2-CG 4.49Å; V163-L207 HydrophobicContact CB-CD1 4.47Å; V163-L207 HydrophobicContact CB-CG 4.42Å; V163-L207 HydrophobicContact CG2-CD1 4Å; V163-L207 HydrophobicContact CG2-CG 3.96Å |
| 164 | H | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | -178.3 | -179.6 | 68.7 | 0 | 0 | 0 | 112.4 | C82 M90 A114 M118 R160 V161 F162 I167 H168 H169 | C82-H164 PolarHBondContact SG-NE2 2.77Å; C82-H164 VanDerWaalsContact SG-NE2 3.36Å; M90-H164 HydrophobicContact CE-CB 3.76Å; M90-H164 HydrophobicContact SD-CB 4.2Å; A114-H164 WeakPolarHBondContact CB-CE1 3.41Å; M118-H164 HydrophobicContact CE-CB 3.62Å; M118-H164 WeakPolarHBondContact CE-CD2 3.4Å; R160-H164 WeakPolarHBondContact O-CB 3.17Å; R160-H164 PolarHBondContact O-N 3.44Å; V161-H164 PolarHBondContact O-N 2.91Å; F162-H164 VanDerWaalsContact C-N 3.3Å; F162-H164 PolarHBondContact O-N 3.22Å; H164-I167 PolarHBondContact O-N 3.43Å; H164-H168 AromaticContact CE1-CD2 3.92Å; H164-H168 AromaticContact ND1-CD2 3.45Å; H164-H168 PolarHBondContact ND1-CD2 3.46Å; H164-H168 WeakPolarHBondContact O-CB 3.46Å; H164-H168 PolarHBondContact O-N 2.96Å; H164-H169 AromaticContact CD2-CD2 3.82Å; H164-H169 AromaticContact CD2-NE2 3.95Å; H164-H169 AromaticContact CE1-NE2 3.9Å; H164-H169 AromaticContact NE2-CD2 3.53Å; H164-H169 AromaticContact NE2-NE2 3.18Å; H164-H169 PolarHBondContact NE2-NE2 3.22Å; H164-H169 VanDerWaalsContact NE2-NE2 3.18Å |
| 165 | V | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | -178.8 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | I74 Y75 V161 F162 H169 F170 I173 | I74-V165 HydrophobicContact CG2-CG1 4.11Å; Y75-V165 HydrophobicContact CD2-CG2 4.47Å; V161-V165 HydrophobicContact CG1-CG2 4.29Å; V161-V165 VanDerWaalsContact O-CB 3.31Å; V161-V165 WeakPolarHBondContact O-CB 3.31Å; V161-V165 VanDerWaalsContact O-CG2 3.24Å; V161-V165 WeakPolarHBondContact O-CG2 3.44Å; V161-V165 PolarHBondContact O-N 3.37Å; F162-V165 PolarHBondContact O-N 3.21Å; V165-H169 CarbonylContact O-C 3.26Å; V165-H169 VanDerWaalsContact O-C 3.26Å; V165-H169 WeakPolarHBondContact O-CA 3.43Å; V165-H169 WeakPolarHBondContact O-CB 3.4Å; V165-H169 PolarHBondContact O-N 3.36Å; V165-F170 PolarHBondContact O-N 2.97Å; V165-I173 HydrophobicContact CG1-CD1 3.31Å; V165-I173 HydrophobicContact CG1-CG1 4.1Å |
| 166 | Y | 95.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.7 | -28.7 | 179 | -81.7 | -70.2 | 0 | 0 | 0 | 114.1 | F162 F170 V182 N183 Y186 L207 M210 | F162-Y166 HydrophobicContact CB-CD2 4.12Å; F162-Y166 HydrophobicContact CB-CE2 4.32Å; F162-Y166 HydrophobicContact CD1-CD2 4.38Å; F162-Y166 AromaticContact CD1-CE2 3.89Å; F162-Y166 HydrophobicContact CD1-CE2 3.89Å; F162-Y166 WeakPolarHBondContact O-CB 3.48Å; F162-Y166 WeakPolarHBondContact O-CD2 3.11Å; F162-Y166 PolarHBondContact O-N 3.05Å; Y166-F170 AromaticContact CD1-CD2 3.79Å; Y166-F170 HydrophobicContact CD1-CD2 3.79Å; Y166-F170 AromaticContact CD1-CE2 3.97Å; Y166-F170 HydrophobicContact CD1-CE2 3.97Å; Y166-F170 HydrophobicContact CE1-CD2 4.35Å; Y166-F170 HydrophobicContact CE1-CE2 4.12Å; Y166-F170 WeakPolarHBondContact O-CB 3.4Å; Y166-V182 HydrophobicContact CE1-CG1 4.23Å; Y166-V182 HydrophobicContact CE2-CG1 3.95Å; Y166-N183 WeakPolarHBondContact CE1-OD1 3.44Å; Y166-N183 VanDerWaalsContact OH-CA 3.26Å; Y166-N183 WeakPolarHBondContact OH-CA 3.3Å; Y166-N183 PolarHBondContact OH-N 3.05Å; Y166-N183 PolarHBondContact OH-OD1 3.49Å; Y166-Y186 HydrophobicContact CE2-CD2 4.21Å; Y166-Y186 HydrophobicContact CE2-CG 4.04Å; Y166-L207 HydrophobicContact CD2-CD1 4.17Å; Y166-M210 HydrophobicContact CD1-CE 3.5Å; Y166-M210 VanDerWaalsContact CD1-CE 3.5Å; Y166-M210 HydrophobicContact CD1-SD 3.25Å; Y166-M210 WeakPolarHBondContact CD1-SD 3.5Å; Y166-M210 HydrophobicContact CD2-CE 3.1Å; Y166-M210 HydrophobicContact CD2-SD 4.07Å; Y166-M210 HydrophobicContact CE1-CE 3.7Å; Y166-M210 HydrophobicContact CE1-SD 3.57Å; Y166-M210 VanDerWaalsContact CE1-SD 3.57Å; Y166-M210 HydrophobicContact CE2-CE 3.32Å; Y166-M210 HydrophobicContact CE2-SD 4.33Å; Y166-M210 HydrophobicContact CG-CE 3.17Å; Y166-M210 HydrophobicContact CG-SD 3.5Å; Y166-M210 VanDerWaalsContact CG-SD 3.5Å |
| 167 | I | 95.1 | Very high | 94.3 | Very high | 69 Ų | 69 | 33 Ų | 33 | 35% | 0.354 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -89.7 | -41.4 | -178.3 | -66.6 | 176.1 | 0 | 0 | 0 | 111.8 | G92 V163 H164 L207 | G92-I167 WeakPolarHBondContact O-CD1 3.46Å; V163-I167 HydrophobicContact CG1-CD1 3.67Å; V163-I167 WeakPolarHBondContact O-CB 3.35Å; V163-I167 VanDerWaalsContact O-CG1 3.29Å; V163-I167 WeakPolarHBondContact O-CG1 3.33Å; V163-I167 PolarHBondContact O-N 2.99Å; H164-I167 PolarHBondContact O-N 3.43Å; I167-L207 HydrophobicContact CG1-CD2 4.48Å |
| 168 | H | 95.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 32 Ų | 32 | 36% | 0.356 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -103.4 | -19 | -171.2 | -65.2 | -79.7 | 0 | 0 | 0 | 113.9 | A91 G93 H164 | A91-H168 PolarHBondContact O-CD2 2.99Å; A91-H168 PolarHBondContact O-NE2 3.49Å; G93-H168 PolarHBondContact N-NE2 2.7Å; H164-H168 AromaticContact CE1-CD2 3.92Å; H164-H168 AromaticContact ND1-CD2 3.45Å; H164-H168 PolarHBondContact ND1-CD2 3.46Å; H164-H168 WeakPolarHBondContact O-CB 3.46Å; H164-H168 PolarHBondContact O-N 2.96Å |
| 169 | H | 95.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.046 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -128.8 | 16 | -172.2 | -60.1 | -59.4 | 0 | 0 | 0 | 113.8 | M78 R81 H164 V165 D171 S172 I173 | M78-H169 HydrophobicContact CG-CB 4.43Å; M78-H169 HydrophobicContact SD-CB 3.97Å; R81-H169 PolarHBondContact O-CE1 3.02Å; H164-H169 AromaticContact CD2-CD2 3.82Å; H164-H169 AromaticContact CD2-NE2 3.95Å; H164-H169 AromaticContact CE1-NE2 3.9Å; H164-H169 AromaticContact NE2-CD2 3.53Å; H164-H169 AromaticContact NE2-NE2 3.18Å; H164-H169 PolarHBondContact NE2-NE2 3.22Å; H164-H169 VanDerWaalsContact NE2-NE2 3.18Å; V165-H169 CarbonylContact O-C 3.26Å; V165-H169 VanDerWaalsContact O-C 3.26Å; V165-H169 WeakPolarHBondContact O-CA 3.43Å; V165-H169 WeakPolarHBondContact O-CB 3.4Å; V165-H169 PolarHBondContact O-N 3.36Å; H169-D171 PolarHBondContact O-N 2.81Å; H169-S172 WeakPolarHBondContact O-CA 3.38Å; H169-S172 WeakPolarHBondContact O-CB 3.46Å; H169-S172 PolarHBondContact O-N 3.47Å; H169-I173 WeakPolarHBondContact O-CG1 3.1Å; H169-I173 PolarHBondContact O-N 3.14Å |
| 170 | F | 92.3 | Very high | 93 | Very high | 62 Ų | 62 | 38.5 Ų | 38.5 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.4 | -42.3 | -178.4 | -165.1 | -115.4 | 0 | 0 | 0 | 113.2 | V165 Y166 S172 I173 L174 E179 | V165-F170 PolarHBondContact O-N 2.97Å; Y166-F170 AromaticContact CD1-CD2 3.79Å; Y166-F170 HydrophobicContact CD1-CD2 3.79Å; Y166-F170 AromaticContact CD1-CE2 3.97Å; Y166-F170 HydrophobicContact CD1-CE2 3.97Å; Y166-F170 HydrophobicContact CE1-CD2 4.35Å; Y166-F170 HydrophobicContact CE1-CE2 4.12Å; Y166-F170 WeakPolarHBondContact O-CB 3.4Å; F170-S172 PolarHBondContact O-N 3.08Å; F170-I173 HydrophobicContact CD2-CD1 4.19Å; F170-I173 WeakPolarHBondContact O-CA 3.31Å; F170-I173 VanDerWaalsContact O-CB 3.31Å; F170-I173 WeakPolarHBondContact O-CB 3.3Å; F170-I173 PolarHBondContact O-N 2.99Å; F170-L174 HydrophobicContact CD1-CD1 3.77Å; F170-L174 HydrophobicContact CD1-CG 4.06Å; F170-L174 HydrophobicContact CE1-CD1 3.62Å; F170-L174 HydrophobicContact CE1-CD2 4Å; F170-L174 HydrophobicContact CE1-CG 3.85Å; F170-L174 HydrophobicContact CZ-CD1 4.43Å; F170-L174 HydrophobicContact CZ-CD2 4Å; F170-L174 HydrophobicContact CZ-CG 4.22Å; F170-L174 WeakPolarHBondContact O-CG 3.3Å; F170-L174 PolarHBondContact O-N 3.08Å; F170-E179 HydrophobicContact CE2-CG 4.16Å; F170-E179 HydrophobicContact CZ-CG 4.23Å |
| 171 | D | 92.6 | Very high | 92.5 | Very high | 130 Ų | 130 | 40.3 Ų | 40.3 | 70% | 0.695 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.3 | -35.4 | 175.9 | -65.2 | -24.6 | 0 | 0 | 0 | 111.9 | H169 L174 S175 | H169-D171 PolarHBondContact O-N 2.81Å; D171-L174 PolarHBondContact O-N 3.06Å; D171-S175 WeakPolarHBondContact O-CB 3.37Å; D171-S175 PolarHBondContact O-N 3.32Å; D171-S175 PolarHBondContact O-OG 3.19Å |
| 172 | S | 91.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.8 | -42.1 | 174.8 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | R81 H169 F170 L174 S175 M176 | R81-S172 VanDerWaalsContact CD-OG 3.26Å; R81-S172 WeakPolarHBondContact CD-OG 3.47Å; H169-S172 WeakPolarHBondContact O-CA 3.38Å; H169-S172 WeakPolarHBondContact O-CB 3.46Å; H169-S172 PolarHBondContact O-N 3.47Å; F170-S172 PolarHBondContact O-N 3.08Å; S172-L174 VanDerWaalsContact C-N 3.34Å; S172-L174 PolarHBondContact O-N 3.5Å; S172-S175 PolarHBondContact O-N 2.86Å; S172-S175 PolarHBondContact O-OG 2.62Å; S172-M176 VanDerWaalsContact O-CG 3.29Å; S172-M176 WeakPolarHBondContact O-CG 3.49Å; S172-M176 PolarHBondContact O-N 2.79Å |
| 173 | I | 89.6 | Confident | 92.1 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 173.9 | -62.2 | 167.3 | 0 | 0 | 0 | 111.3 | M78 V165 H169 F170 M176 G177 A178 E179 V182 | M78-I173 HydrophobicContact SD-CG1 4.07Å; V165-I173 HydrophobicContact CG1-CD1 3.31Å; V165-I173 HydrophobicContact CG1-CG1 4.1Å; H169-I173 WeakPolarHBondContact O-CG1 3.1Å; H169-I173 PolarHBondContact O-N 3.14Å; F170-I173 HydrophobicContact CD2-CD1 4.19Å; F170-I173 WeakPolarHBondContact O-CA 3.31Å; F170-I173 VanDerWaalsContact O-CB 3.31Å; F170-I173 WeakPolarHBondContact O-CB 3.3Å; F170-I173 PolarHBondContact O-N 2.99Å; I173-M176 PolarHBondContact O-N 3.39Å; I173-G177 PolarHBondContact O-N 3.35Å; I173-A178 HydrophobicContact CG2-CB 4.21Å; I173-A178 PolarHBondContact O-N 3.35Å; I173-E179 VanDerWaalsContact CG2-CA 3.43Å; I173-E179 HydrophobicContact CG2-CB 4Å; I173-V182 HydrophobicContact CD1-CG1 4.46Å; I173-V182 HydrophobicContact CG2-CG2 4.03Å |
| 174 | L | 89.7 | Confident | 91.9 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 178.1 | -69.6 | 178.1 | 0 | 0 | 0 | 111.4 | F170 D171 S172 M176 G177 E179 | F170-L174 HydrophobicContact CD1-CD1 3.77Å; F170-L174 HydrophobicContact CD1-CG 4.06Å; F170-L174 HydrophobicContact CE1-CD1 3.62Å; F170-L174 HydrophobicContact CE1-CD2 4Å; F170-L174 HydrophobicContact CE1-CG 3.85Å; F170-L174 HydrophobicContact CZ-CD1 4.43Å; F170-L174 HydrophobicContact CZ-CD2 4Å; F170-L174 HydrophobicContact CZ-CG 4.22Å; F170-L174 WeakPolarHBondContact O-CG 3.3Å; F170-L174 PolarHBondContact O-N 3.08Å; D171-L174 PolarHBondContact O-N 3.06Å; S172-L174 VanDerWaalsContact C-N 3.34Å; S172-L174 PolarHBondContact O-N 3.5Å; L174-M176 PolarHBondContact O-N 3.18Å; L174-M176 VanDerWaalsContact O-N 3.16Å; L174-G177 PolarHBondContact O-N 3.46Å; L174-E179 HydrophobicContact CD2-CB 4.27Å; L174-E179 HydrophobicContact CD2-CG 4.23Å; L174-E179 WeakPolarHBondContact CD2-OE2 3.15Å |
| 175 | S | 89.4 | Confident | 91.7 | Very high | 86 Ų | 86 | 44.9 Ų | 44.9 | 60% | 0.601 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.8 | -28.9 | -179 | 73.4 | 0 | 0 | 0 | 0 | 113.4 | D171 S172 | D171-S175 WeakPolarHBondContact O-CB 3.37Å; D171-S175 PolarHBondContact O-N 3.32Å; D171-S175 PolarHBondContact O-OG 3.19Å; S172-S175 PolarHBondContact O-N 2.86Å; S172-S175 PolarHBondContact O-OG 2.62Å |
| 176 | M | 86.9 | Confident | 91.8 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 17% | 0.167 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6.6 | 177 | -65.6 | -174.3 | -43.1 | 0 | 0 | 113.6 | V8 M78 S172 I173 L174 A178 | V8-M176 HydrophobicContact CG1-CE 4.23Å; V8-M176 HydrophobicContact CG1-SD 4.49Å; V8-M176 HydrophobicContact CG2-CB 4.16Å; M78-M176 HydrophobicContact CE-CE 3.07Å; M78-M176 HydrophobicContact CE-SD 3.46Å; M78-M176 WeakPolarHBondContact CE-SD 3.31Å; M78-M176 HydrophobicContact SD-CE 4.11Å; S172-M176 VanDerWaalsContact O-CG 3.29Å; S172-M176 WeakPolarHBondContact O-CG 3.49Å; S172-M176 PolarHBondContact O-N 2.79Å; I173-M176 PolarHBondContact O-N 3.39Å; L174-M176 PolarHBondContact O-N 3.18Å; L174-M176 VanDerWaalsContact O-N 3.16Å; M176-A178 HydrophobicContact CB-CB 4.22Å; M176-A178 HydrophobicContact CE-CB 3.93Å; M176-A178 PolarHBondContact O-N 3.5Å |
| 177 | G | 86.8 | Confident | 91.8 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 26.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I173 L174 | I173-G177 PolarHBondContact O-N 3.35Å; L174-G177 PolarHBondContact O-N 3.46Å |
| 178 | A | 88.4 | Confident | 91.8 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | trans | -90.1 | -8.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V8 F9 I173 M176 A180 H181 V182 | V8-A178 HydrophobicContact CG1-CB 4.08Å; F9-A178 HydrophobicContact CE2-CB 4.37Å; F9-A178 HydrophobicContact CZ-CB 4.2Å; I173-A178 HydrophobicContact CG2-CB 4.21Å; I173-A178 PolarHBondContact O-N 3.35Å; M176-A178 HydrophobicContact CB-CB 4.22Å; M176-A178 HydrophobicContact CE-CB 3.93Å; M176-A178 PolarHBondContact O-N 3.5Å; A178-A180 PolarHBondContact O-N 2.93Å; A178-H181 WeakPolarHBondContact O-CB 3.44Å; A178-H181 PolarHBondContact O-N 2.82Å; A178-V182 PolarHBondContact O-N 3.16Å; A178-V182 VanDerWaalsContact O-N 3.1Å | ||
| 179 | E | 90.9 | Very high | 92 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -50.7 | -52.7 | -171.4 | -167.7 | -162.8 | 169.1 | 0 | 0 | 113.4 | F170 I173 L174 H181 V182 N183 | F170-E179 HydrophobicContact CE2-CG 4.16Å; F170-E179 HydrophobicContact CZ-CG 4.23Å; I173-E179 VanDerWaalsContact CG2-CA 3.43Å; I173-E179 HydrophobicContact CG2-CB 4Å; L174-E179 HydrophobicContact CD2-CB 4.27Å; L174-E179 HydrophobicContact CD2-CG 4.23Å; L174-E179 WeakPolarHBondContact CD2-OE2 3.15Å; E179-H181 PolarHBondContact O-N 3.41Å; E179-H181 VanDerWaalsContact O-N 3.13Å; E179-V182 PolarHBondContact O-N 3.36Å; E179-V182 VanDerWaalsContact O-N 3.14Å; E179-N183 WeakPolarHBondContact O-CB 3.14Å; E179-N183 VanDerWaalsContact O-CG 3.26Å; E179-N183 PolarHBondContact O-N 3.17Å; E179-N183 PolarHBondContact O-OD1 3.49Å; E179-N183 PolarHBondContact OE1-ND2 3.07Å |
| 180 | A | 88.7 | Confident | 92.1 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 52% | 0.521 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.9 | -34.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A178 T184 | A178-A180 PolarHBondContact O-N 2.93Å; A180-T184 VanDerWaalsContact O-CB 3.31Å; A180-T184 WeakPolarHBondContact O-CB 3.43Å; A180-T184 PolarHBondContact O-N 2.89Å; A180-T184 PolarHBondContact O-OG1 2.86Å |
| 181 | H | 88.3 | Confident | 92.3 | Very high | 78 Ų | 78 | 38.6 Ų | 38.6 | 36% | 0.361 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -75.8 | -42.4 | -179.6 | -62 | 78.3 | 0 | 0 | 0 | 111.3 | L5 F9 A178 E179 T184 C185 | L5-H181 WeakPolarHBondContact CD2-CE1 3.35Å; F9-H181 HydrophobicContact CE1-CB 4.42Å; F9-H181 HydrophobicContact CE2-CB 3.48Å; F9-H181 VanDerWaalsContact CE2-CB 3.48Å; F9-H181 AromaticContact CE2-CD2 3.82Å; F9-H181 AromaticContact CE2-CG 3.43Å; F9-H181 VanDerWaalsContact CE2-CG 3.43Å; F9-H181 AromaticContact CE2-ND1 3.89Å; F9-H181 HydrophobicContact CZ-CB 3.41Å; F9-H181 VanDerWaalsContact CZ-CB 3.41Å; F9-H181 AromaticContact CZ-CG 3.95Å; A178-H181 WeakPolarHBondContact O-CB 3.44Å; A178-H181 PolarHBondContact O-N 2.82Å; E179-H181 PolarHBondContact O-N 3.41Å; E179-H181 VanDerWaalsContact O-N 3.13Å; H181-T184 PolarHBondContact O-N 3.38Å; H181-C185 WeakPolarHBondContact O-CB 3.41Å; H181-C185 PolarHBondContact O-N 2.62Å |
| 182 | V | 93 | Very high | 92.6 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 175.2 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | I74 F162 Y166 I173 A178 E179 T184 C185 Y186 | I74-V182 HydrophobicContact CD1-CG1 4.4Å; I74-V182 HydrophobicContact CG1-CG2 4.37Å; I74-V182 HydrophobicContact CG2-CG1 4.36Å; I74-V182 HydrophobicContact CG2-CG2 4.19Å; F162-V182 HydrophobicContact CD1-CG1 4.49Å; F162-V182 HydrophobicContact CE1-CG1 4.46Å; Y166-V182 HydrophobicContact CE1-CG1 4.23Å; Y166-V182 HydrophobicContact CE2-CG1 3.95Å; I173-V182 HydrophobicContact CD1-CG1 4.46Å; I173-V182 HydrophobicContact CG2-CG2 4.03Å; A178-V182 PolarHBondContact O-N 3.16Å; A178-V182 VanDerWaalsContact O-N 3.1Å; E179-V182 PolarHBondContact O-N 3.36Å; E179-V182 VanDerWaalsContact O-N 3.14Å; V182-T184 PolarHBondContact O-N 3.05Å; V182-C185 WeakPolarHBondContact O-CB 3.29Å; V182-C185 PolarHBondContact O-N 2.7Å; V182-C185 VanDerWaalsContact O-N 3.14Å; V182-Y186 WeakPolarHBondContact O-CB 3.35Å; V182-Y186 PolarHBondContact O-N 3.38Å |
| 183 | N | 93.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 176.6 | -68.5 | -3.4 | 0 | 0 | 0 | 112 | Y166 E179 C185 Y186 K187 I214 | Y166-N183 WeakPolarHBondContact CE1-OD1 3.44Å; Y166-N183 VanDerWaalsContact OH-CA 3.26Å; Y166-N183 WeakPolarHBondContact OH-CA 3.3Å; Y166-N183 PolarHBondContact OH-N 3.05Å; Y166-N183 PolarHBondContact OH-OD1 3.49Å; E179-N183 WeakPolarHBondContact O-CB 3.14Å; E179-N183 VanDerWaalsContact O-CG 3.26Å; E179-N183 PolarHBondContact O-N 3.17Å; E179-N183 PolarHBondContact O-OD1 3.49Å; E179-N183 PolarHBondContact OE1-ND2 3.07Å; N183-C185 VanDerWaalsContact C-N 3.34Å; N183-C185 PolarHBondContact O-N 3.24Å; N183-Y186 PolarHBondContact O-N 3.05Å; N183-K187 VanDerWaalsContact O-CB 3.28Å; N183-K187 WeakPolarHBondContact O-CB 3.44Å; N183-K187 PolarHBondContact O-N 3.33Å; N183-I214 HydrophobicContact CB-CD1 4.37Å; N183-I214 HydrophobicContact CB-CG2 4.28Å |
| 184 | T | 92.8 | Very high | 93.3 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | A180 H181 V182 H188 | A180-T184 VanDerWaalsContact O-CB 3.31Å; A180-T184 WeakPolarHBondContact O-CB 3.43Å; A180-T184 PolarHBondContact O-N 2.89Å; A180-T184 PolarHBondContact O-OG1 2.86Å; H181-T184 PolarHBondContact O-N 3.38Å; V182-T184 PolarHBondContact O-N 3.05Å; T184-H188 WeakPolarHBondContact O-CB 3.46Å; T184-H188 PolarHBondContact O-N 3.03Å |
| 185 | C | 94.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 176.3 | -165 | 0 | 0 | 0 | 0 | 112.2 | R70 I74 F162 H181 V182 N183 F189 | R70-C185 PolarHBondContact NE-SG 3.46Å; R70-C185 VanDerWaalsContact NE-SG 3.42Å; I74-C185 HydrophobicContact CD1-CB 3.83Å; F162-C185 HydrophobicContact CE1-CB 4.43Å; F162-C185 HydrophobicContact CZ-CB 4.36Å; H181-C185 WeakPolarHBondContact O-CB 3.41Å; H181-C185 PolarHBondContact O-N 2.62Å; V182-C185 WeakPolarHBondContact O-CB 3.29Å; V182-C185 PolarHBondContact O-N 2.7Å; V182-C185 VanDerWaalsContact O-N 3.14Å; N183-C185 VanDerWaalsContact C-N 3.34Å; N183-C185 PolarHBondContact O-N 3.24Å; C185-F189 VanDerWaalsContact O-CB 3.3Å; C185-F189 WeakPolarHBondContact O-CB 3.36Å; C185-F189 PolarHBondContact O-N 3.44Å |
| 186 | Y | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 177 | 179.5 | -107.4 | 0 | 0 | 0 | 111.7 | F159 F162 Y166 V182 N183 H188 F189 Y190 L207 M210 T211 I214 | F159-Y186 HydrophobicContact CD2-CE2 4.2Å; F159-Y186 AromaticContact CE2-CE2 3.79Å; F159-Y186 HydrophobicContact CE2-CE2 3.79Å; F162-Y186 HydrophobicContact CB-CD2 3.97Å; F162-Y186 HydrophobicContact CB-CE2 4.26Å; F162-Y186 AromaticContact CD1-CD2 3.9Å; F162-Y186 HydrophobicContact CD1-CD2 3.9Å; F162-Y186 HydrophobicContact CD1-CG 4.46Å; F162-Y186 AromaticContact CD2-CD2 3.85Å; F162-Y186 HydrophobicContact CD2-CD2 3.85Å; F162-Y186 HydrophobicContact CD2-CE2 4.45Å; F162-Y186 HydrophobicContact CE1-CD2 4.29Å; F162-Y186 HydrophobicContact CE2-CD2 4.23Å; F162-Y186 AromaticContact CG-CD2 3.66Å; F162-Y186 HydrophobicContact CG-CD2 3.66Å; F162-Y186 HydrophobicContact CG-CE2 4.34Å; F162-Y186 HydrophobicContact CZ-CD2 4.44Å; Y166-Y186 HydrophobicContact CE2-CD2 4.21Å; Y166-Y186 HydrophobicContact CE2-CG 4.04Å; V182-Y186 WeakPolarHBondContact O-CB 3.35Å; V182-Y186 PolarHBondContact O-N 3.38Å; N183-Y186 PolarHBondContact O-N 3.05Å; Y186-H188 PolarHBondContact O-N 3.05Å; Y186-F189 WeakPolarHBondContact O-CB 3.33Å; Y186-F189 PolarHBondContact O-N 3.02Å; Y186-Y190 WeakPolarHBondContact O-CB 3.22Å; Y186-Y190 PolarHBondContact O-N 2.62Å; Y186-L207 HydrophobicContact CE2-CD1 3.76Å; Y186-M210 HydrophobicContact CE1-CE 4.49Å; Y186-T211 PolarHBondContact OH-OG1 2.86Å; Y186-I214 HydrophobicContact CD1-CD1 4.38Å |
| 187 | K | 95.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 38.3 Ų | 38.3 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 179 | -171.3 | 169 | -175.8 | 157.5 | 0 | 112 | L44 N183 Y190 Y191 I214 | L44-K187 HydrophobicContact CD1-CB 3.99Å; L44-K187 HydrophobicContact CD1-CD 3.8Å; L44-K187 HydrophobicContact CD1-CG 3.66Å; N183-K187 VanDerWaalsContact O-CB 3.28Å; N183-K187 WeakPolarHBondContact O-CB 3.44Å; N183-K187 PolarHBondContact O-N 3.33Å; K187-Y190 PolarHBondContact O-N 2.88Å; K187-Y191 HydrophobicContact CD-CE2 4.25Å; K187-Y191 WeakPolarHBondContact CE-OH 3.47Å; K187-Y191 HydrophobicContact CG-CD2 4.15Å; K187-Y191 HydrophobicContact CG-CE2 3.71Å; K187-Y191 PolarHBondContact O-N 3.4Å; K187-I214 HydrophobicContact CB-CG2 4.22Å; K187-I214 HydrophobicContact CD-CG2 4.36Å; K187-I214 WeakPolarHBondContact CD-O 3.39Å; K187-I214 WeakPolarHBondContact CE-O 3.33Å; K187-I214 PolarHBondContact NZ-O 3.41Å |
| 188 | H | 96 | Very high | 95 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 174.7 | -177.6 | -136.1 | 0 | 0 | 0 | 111.6 | L44 H63 F67 R70 T184 Y186 F192 | L44-H188 HydrophobicContact CD2-CB 4.47Å; H63-H188 AromaticContact CD2-CE1 3.97Å; F67-H188 HydrophobicContact CE1-CB 4.29Å; F67-H188 AromaticContact CE1-CE1 3.83Å; F67-H188 AromaticContact CE1-CG 3.86Å; F67-H188 AromaticContact CE1-ND1 3.26Å; F67-H188 VanDerWaalsContact CE1-ND1 3.26Å; F67-H188 WeakPolarHBondContact CE1-ND1 3.47Å; F67-H188 AromaticContact CZ-CE1 3.69Å; F67-H188 AromaticContact CZ-ND1 3.54Å; R70-H188 PolarHBondContact NH1-ND1 3.02Å; T184-H188 WeakPolarHBondContact O-CB 3.46Å; T184-H188 PolarHBondContact O-N 3.03Å; Y186-H188 PolarHBondContact O-N 3.05Å; H188-F192 WeakPolarHBondContact O-CB 3.46Å; H188-F192 PolarHBondContact O-N 3.17Å |
| 189 | F | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -50.9 | 175.9 | 177.5 | -86.9 | 0 | 0 | 0 | 111.7 | F67 I71 L155 L158 F159 F162 C185 Y186 Y191 F192 I193 | F67-F189 HydrophobicContact CB-CD2 4.15Å; F67-F189 HydrophobicContact CD1-CB 3.98Å; F67-F189 AromaticContact CD1-CD2 3.87Å; F67-F189 HydrophobicContact CD1-CD2 3.87Å; F67-F189 HydrophobicContact CD1-CG 4.44Å; F67-F189 AromaticContact CD2-CD2 3.99Å; F67-F189 HydrophobicContact CD2-CD2 3.99Å; F67-F189 HydrophobicContact CE1-CB 3.72Å; F67-F189 HydrophobicContact CE1-CD2 4.27Å; F67-F189 HydrophobicContact CE1-CG 4.49Å; F67-F189 HydrophobicContact CE2-CD2 4.39Å; F67-F189 AromaticContact CG-CD2 3.75Å; F67-F189 HydrophobicContact CG-CD2 3.75Å; F67-F189 VanDerWaalsContact CZ-CA 3.47Å; F67-F189 HydrophobicContact CZ-CB 4.2Å; I71-F189 HydrophobicContact CD1-CD2 4.08Å; I71-F189 HydrophobicContact CD1-CE2 4.23Å; L155-F189 HydrophobicContact CB-CE2 4.37Å; L155-F189 HydrophobicContact CB-CZ 4.22Å; L155-F189 HydrophobicContact CD2-CD2 4.31Å; L155-F189 HydrophobicContact CD2-CE2 3.54Å; L155-F189 HydrophobicContact CD2-CZ 4.2Å; L155-F189 WeakPolarHBondContact O-CZ 3.49Å; L158-F189 HydrophobicContact CB-CE2 4.22Å; F159-F189 HydrophobicContact CB-CE1 4.02Å; F159-F189 HydrophobicContact CB-CZ 4.15Å; F159-F189 HydrophobicContact CD2-CE1 4.08Å; F162-F189 HydrophobicContact CD2-CD1 4.34Å; F162-F189 HydrophobicContact CD2-CG 4.5Å; F162-F189 HydrophobicContact CE2-CB 3.93Å; F162-F189 HydrophobicContact CE2-CD1 4.02Å; F162-F189 HydrophobicContact CE2-CD2 4.1Å; F162-F189 AromaticContact CE2-CG 3.75Å; F162-F189 HydrophobicContact CE2-CG 3.75Å; F162-F189 HydrophobicContact CZ-CB 4.33Å; C185-F189 VanDerWaalsContact O-CB 3.3Å; C185-F189 WeakPolarHBondContact O-CB 3.36Å; C185-F189 PolarHBondContact O-N 3.44Å; Y186-F189 WeakPolarHBondContact O-CB 3.33Å; Y186-F189 PolarHBondContact O-N 3.02Å; F189-Y191 PolarHBondContact O-N 3Å; F189-F192 PolarHBondContact O-N 3.46Å; F189-I193 HydrophobicContact CD1-CD1 4.24Å; F189-I193 HydrophobicContact CD1-CG2 4.28Å; F189-I193 HydrophobicContact CE1-CD1 3.78Å; F189-I193 HydrophobicContact CE1-CG1 4.37Å; F189-I193 HydrophobicContact CE1-CG2 3.84Å; F189-I193 HydrophobicContact CE2-CG2 4.23Å; F189-I193 HydrophobicContact CZ-CG2 3.81Å; F189-I193 WeakPolarHBondContact O-CG1 3.32Å; F189-I193 PolarHBondContact O-N 2.82Å |
| 190 | Y | 97.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 37.4 Ų | 37.4 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | -179.1 | 177.7 | -106.8 | 0 | 0 | 0 | 111.3 | Y186 K187 F192 I193 R194 L204 T211 C215 | Y186-Y190 WeakPolarHBondContact O-CB 3.22Å; Y186-Y190 PolarHBondContact O-N 2.62Å; K187-Y190 PolarHBondContact O-N 2.88Å; Y190-F192 VanDerWaalsContact C-N 3.3Å; Y190-F192 PolarHBondContact O-N 3.48Å; Y190-I193 HydrophobicContact CD2-CD1 4.38Å; Y190-I193 WeakPolarHBondContact O-CG1 3.25Å; Y190-I193 PolarHBondContact O-N 3.44Å; Y190-R194 HydrophobicContact CD1-CG 4.36Å; Y190-R194 HydrophobicContact CD2-CG 4.16Å; Y190-R194 HydrophobicContact CE1-CG 4.03Å; Y190-R194 HydrophobicContact CE2-CG 3.79Å; Y190-R194 HydrophobicContact CG-CG 4.43Å; Y190-R194 WeakPolarHBondContact O-CB 3.43Å; Y190-R194 WeakPolarHBondContact O-CG 3.2Å; Y190-R194 PolarHBondContact O-N 3.14Å; Y190-L204 HydrophobicContact CD2-CD1 4.37Å; Y190-L204 HydrophobicContact CE2-CD1 3.94Å; Y190-T211 HydrophobicContact CD1-CG2 3.91Å; Y190-T211 HydrophobicContact CD2-CG2 3.86Å; Y190-T211 HydrophobicContact CE1-CG2 3.57Å; Y190-T211 HydrophobicContact CE2-CG2 3.53Å; Y190-T211 HydrophobicContact CG-CG2 4.04Å; Y190-C215 HydrophobicContact CD1-CB 3.93Å; Y190-C215 HydrophobicContact CE1-CB 4.06Å |
| 191 | Y | 97.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.8 | -67.4 | -19.2 | 0 | 0 | 0 | 112.7 | L44 R45 K187 F189 R194 E195 C215 | L44-Y191 HydrophobicContact CB-CD2 3.49Å; L44-Y191 VanDerWaalsContact CB-CD2 3.49Å; L44-Y191 HydrophobicContact CB-CE2 3.75Å; R45-Y191 HydrophobicContact CB-CD2 4.44Å; R45-Y191 HydrophobicContact CG-CD1 4.19Å; R45-Y191 HydrophobicContact CG-CD2 3.6Å; R45-Y191 HydrophobicContact CG-CE1 4.12Å; R45-Y191 HydrophobicContact CG-CE2 3.5Å; R45-Y191 HydrophobicContact CG-CG 3.94Å; R45-Y191 PolarHBondContact NE-OH 2.82Å; K187-Y191 HydrophobicContact CD-CE2 4.25Å; K187-Y191 WeakPolarHBondContact CE-OH 3.47Å; K187-Y191 HydrophobicContact CG-CD2 4.15Å; K187-Y191 HydrophobicContact CG-CE2 3.71Å; K187-Y191 PolarHBondContact O-N 3.4Å; F189-Y191 PolarHBondContact O-N 3Å; Y191-R194 PolarHBondContact O-N 3.1Å; Y191-E195 WeakPolarHBondContact O-CB 3.2Å; Y191-E195 PolarHBondContact O-N 2.84Å; Y191-C215 HydrophobicContact CE1-CB 3.85Å; Y191-C215 PolarHBondContact OH-O 3.38Å |
| 192 | F | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 177.4 | -175.5 | -92.2 | 0 | 0 | 0 | 112.3 | V48 W59 I60 H63 F67 L155 H188 F189 Y190 R194 E195 F196 L198 | V48-F192 HydrophobicContact CB-CB 4.24Å; V48-F192 HydrophobicContact CB-CD2 4.04Å; V48-F192 HydrophobicContact CG1-CB 3.85Å; V48-F192 HydrophobicContact CG1-CD2 4.25Å; W59-F192 AromaticContact NE1-CE2 3.9Å; I60-F192 HydrophobicContact CB-CZ 4.5Å; I60-F192 HydrophobicContact CG1-CZ 4.08Å; H63-F192 HydrophobicContact CB-CD1 4.18Å; H63-F192 HydrophobicContact CB-CD2 3.94Å; H63-F192 HydrophobicContact CB-CE1 3.72Å; H63-F192 HydrophobicContact CB-CE2 3.47Å; H63-F192 VanDerWaalsContact CB-CE2 3.47Å; H63-F192 HydrophobicContact CB-CG 4.29Å; H63-F192 HydrophobicContact CB-CZ 3.37Å; H63-F192 AromaticContact CD2-CD2 3.35Å; H63-F192 WeakPolarHBondContact CD2-CD2 3.33Å; H63-F192 AromaticContact CD2-CE2 3.49Å; H63-F192 VanDerWaalsContact CD2-CE2 3.49Å; H63-F192 WeakPolarHBondContact CD2-CE2 3.26Å; H63-F192 AromaticContact CG-CD2 3.52Å; H63-F192 AromaticContact CG-CE2 3.14Å; H63-F192 AromaticContact CG-CZ 3.63Å; H63-F192 AromaticContact ND1-CE2 3.52Å; F67-F192 HydrophobicContact CD2-CD1 4.44Å; F67-F192 HydrophobicContact CE2-CB 3.74Å; F67-F192 AromaticContact CE2-CD1 3.62Å; F67-F192 HydrophobicContact CE2-CD1 3.62Å; F67-F192 HydrophobicContact CE2-CD2 4.38Å; F67-F192 HydrophobicContact CE2-CE1 4.38Å; F67-F192 AromaticContact CE2-CG 3.63Å; F67-F192 HydrophobicContact CE2-CG 3.63Å; F67-F192 HydrophobicContact CZ-CB 3.74Å; F67-F192 HydrophobicContact CZ-CD1 4.48Å; F67-F192 HydrophobicContact CZ-CG 4.1Å; L155-F192 HydrophobicContact CD1-CE1 4.46Å; H188-F192 WeakPolarHBondContact O-CB 3.46Å; H188-F192 PolarHBondContact O-N 3.17Å; F189-F192 PolarHBondContact O-N 3.46Å; Y190-F192 VanDerWaalsContact C-N 3.3Å; Y190-F192 PolarHBondContact O-N 3.48Å; F192-R194 PolarHBondContact O-N 3.13Å; F192-E195 PolarHBondContact O-N 2.95Å; F192-F196 HydrophobicContact CD1-CD2 4.5Å; F192-F196 HydrophobicContact CD2-CD2 4.01Å; F192-F196 AromaticContact CD2-CE2 3.83Å; F192-F196 HydrophobicContact CD2-CE2 3.83Å; F192-F196 HydrophobicContact CE1-CD2 4.16Å; F192-F196 AromaticContact CE2-CD2 3.61Å; F192-F196 HydrophobicContact CE2-CD2 3.61Å; F192-F196 AromaticContact CE2-CE2 3.36Å; F192-F196 HydrophobicContact CE2-CE2 3.36Å; F192-F196 HydrophobicContact CE2-CZ 4.47Å; F192-F196 HydrophobicContact CG-CD2 4.41Å; F192-F196 AromaticContact CZ-CD2 3.66Å; F192-F196 HydrophobicContact CZ-CD2 3.66Å; F192-F196 AromaticContact CZ-CE2 3.83Å; F192-F196 HydrophobicContact CZ-CE2 3.83Å; F192-F196 WeakPolarHBondContact O-CD2 3.26Å; F192-F196 PolarHBondContact O-N 3.46Å; F192-L198 HydrophobicContact CD1-CD1 4.12Å; F192-L198 HydrophobicContact CE1-CD1 3.51Å; F192-L198 HydrophobicContact CZ-CD1 4.29Å |
| 193 | I | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -28.7 | 179.4 | 62.5 | 166.2 | 0 | 0 | 0 | 112.2 | L155 F189 Y190 S197 L198 V199 L204 | L155-I193 HydrophobicContact CB-CG2 4.23Å; L155-I193 HydrophobicContact CD1-CG2 4.23Å; L155-I193 HydrophobicContact CD2-CG2 4.37Å; F189-I193 HydrophobicContact CD1-CD1 4.24Å; F189-I193 HydrophobicContact CD1-CG2 4.28Å; F189-I193 HydrophobicContact CE1-CD1 3.78Å; F189-I193 HydrophobicContact CE1-CG1 4.37Å; F189-I193 HydrophobicContact CE1-CG2 3.84Å; F189-I193 HydrophobicContact CE2-CG2 4.23Å; F189-I193 HydrophobicContact CZ-CG2 3.81Å; F189-I193 WeakPolarHBondContact O-CG1 3.32Å; F189-I193 PolarHBondContact O-N 2.82Å; Y190-I193 HydrophobicContact CD2-CD1 4.38Å; Y190-I193 WeakPolarHBondContact O-CG1 3.25Å; Y190-I193 PolarHBondContact O-N 3.44Å; I193-S197 CarbonylContact O-C 3.47Å; I193-S197 WeakPolarHBondContact O-CA 3.31Å; I193-S197 PolarHBondContact O-N 3.16Å; I193-S197 VanDerWaalsContact O-N 3.13Å; I193-L198 PolarHBondContact O-N 3.37Å; I193-V199 HydrophobicContact CB-CB 4.32Å; I193-V199 HydrophobicContact CB-CG2 3.99Å; I193-V199 HydrophobicContact CD1-CB 3.93Å; I193-V199 HydrophobicContact CD1-CG1 4.48Å; I193-V199 HydrophobicContact CD1-CG2 4.05Å; I193-V199 HydrophobicContact CG2-CG2 3.9Å; I193-L204 HydrophobicContact CD1-CD1 3.96Å; I193-L204 HydrophobicContact CD1-CD2 3.61Å; I193-L204 HydrophobicContact CD1-CG 4.44Å |
| 194 | R | 97.2 | Very high | 96.4 | Very high | 109 Ų | 109 | 46.7 Ų | 46.7 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -75.4 | -43.6 | 176.4 | -69.6 | -59 | -61 | -170.5 | -11.6 | 112.2 | Y190 Y191 F192 F196 S197 | Y190-R194 HydrophobicContact CD1-CG 4.36Å; Y190-R194 HydrophobicContact CD2-CG 4.16Å; Y190-R194 HydrophobicContact CE1-CG 4.03Å; Y190-R194 HydrophobicContact CE2-CG 3.79Å; Y190-R194 HydrophobicContact CG-CG 4.43Å; Y190-R194 WeakPolarHBondContact O-CB 3.43Å; Y190-R194 WeakPolarHBondContact O-CG 3.2Å; Y190-R194 PolarHBondContact O-N 3.14Å; Y191-R194 PolarHBondContact O-N 3.1Å; F192-R194 PolarHBondContact O-N 3.13Å; R194-F196 VanDerWaalsContact C-N 3.27Å; R194-F196 PolarHBondContact O-N 3.2Å; R194-S197 PolarHBondContact O-N 3.45Å |
| 195 | E | 97.7 | Very high | 96.5 | Very high | 87 Ų | 87 | 46.7 Ų | 46.7 | 41% | 0.407 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.8 | -43.5 | 178.9 | -178.5 | 65.2 | -169 | 0 | 0 | 111.4 | V48 Y191 F192 | V48-E195 HydrophobicContact CG2-CB 4.02Å; V48-E195 HydrophobicContact CG2-CG 4.28Å; Y191-E195 WeakPolarHBondContact O-CB 3.2Å; Y191-E195 PolarHBondContact O-N 2.84Å; F192-E195 PolarHBondContact O-N 2.95Å |
| 196 | F | 97.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 10.1 | -176.3 | -61 | -72.1 | 0 | 0 | 0 | 114 | V48 L50 I56 W59 F192 R194 L198 | V48-F196 VanDerWaalsContact O-CE2 3.28Å; V48-F196 WeakPolarHBondContact O-CE2 3.29Å; L50-F196 HydrophobicContact CB-CE1 4.19Å; L50-F196 HydrophobicContact CB-CZ 4.12Å; I56-F196 HydrophobicContact CD1-CD1 4.02Å; I56-F196 HydrophobicContact CD1-CE1 4.24Å; I56-F196 HydrophobicContact CG1-CD1 4.33Å; I56-F196 HydrophobicContact CG1-CE1 4.27Å; W59-F196 AromaticContact CD1-CE2 3.72Å; W59-F196 AromaticContact CD1-CZ 3.43Å; W59-F196 VanDerWaalsContact CD1-CZ 3.43Å; W59-F196 AromaticContact NE1-CE2 3.79Å; W59-F196 AromaticContact NE1-CZ 3.69Å; F192-F196 HydrophobicContact CD1-CD2 4.5Å; F192-F196 HydrophobicContact CD2-CD2 4.01Å; F192-F196 AromaticContact CD2-CE2 3.83Å; F192-F196 HydrophobicContact CD2-CE2 3.83Å; F192-F196 HydrophobicContact CE1-CD2 4.16Å; F192-F196 AromaticContact CE2-CD2 3.61Å; F192-F196 HydrophobicContact CE2-CD2 3.61Å; F192-F196 AromaticContact CE2-CE2 3.36Å; F192-F196 HydrophobicContact CE2-CE2 3.36Å; F192-F196 HydrophobicContact CE2-CZ 4.47Å; F192-F196 HydrophobicContact CG-CD2 4.41Å; F192-F196 AromaticContact CZ-CD2 3.66Å; F192-F196 HydrophobicContact CZ-CD2 3.66Å; F192-F196 AromaticContact CZ-CE2 3.83Å; F192-F196 HydrophobicContact CZ-CE2 3.83Å; F192-F196 WeakPolarHBondContact O-CD2 3.26Å; F192-F196 PolarHBondContact O-N 3.46Å; R194-F196 VanDerWaalsContact C-N 3.27Å; R194-F196 PolarHBondContact O-N 3.2Å; F196-L198 HydrophobicContact CB-CD1 3.72Å; F196-L198 HydrophobicContact CB-CD2 4.31Å; F196-L198 HydrophobicContact CB-CG 3.65Å; F196-L198 PolarHBondContact O-N 2.99Å; F196-L198 VanDerWaalsContact O-N 3.16Å |
| 197 | S | 97.3 | Very high | 96.5 | Very high | 107 Ų | 107 | 48 Ų | 48 | 75% | 0.748 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.7 | -179 | -58.4 | 0 | 0 | 0 | 0 | 114 | I193 R194 | I193-S197 CarbonylContact O-C 3.47Å; I193-S197 WeakPolarHBondContact O-CA 3.31Å; I193-S197 PolarHBondContact O-N 3.16Å; I193-S197 VanDerWaalsContact O-N 3.13Å; R194-S197 PolarHBondContact O-N 3.45Å |
| 198 | L | 97.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -83 | -13.6 | -170.9 | -67 | 169.6 | 0 | 0 | 0 | 113.9 | I60 T152 L155 F192 I193 F196 | I60-L198 HydrophobicContact CD1-CD1 4.46Å; I60-L198 HydrophobicContact CD1-CD2 4.25Å; I60-L198 HydrophobicContact CG1-CD1 4.37Å; I60-L198 HydrophobicContact CG2-CD1 4.49Å; T152-L198 WeakPolarHBondContact CA-O 3.26Å; T152-L198 VanDerWaalsContact CB-O 3.25Å; T152-L198 WeakPolarHBondContact CB-O 3.13Å; T152-L198 WeakPolarHBondContact CG2-O 3.47Å; T152-L198 PolarHBondContact OG1-O 3.01Å; L155-L198 HydrophobicContact CD1-CB 3.85Å; L155-L198 HydrophobicContact CD1-CD1 3.49Å; L155-L198 VanDerWaalsContact CD1-CD1 3.49Å; L155-L198 HydrophobicContact CD1-CG 4.22Å; F192-L198 HydrophobicContact CD1-CD1 4.12Å; F192-L198 HydrophobicContact CE1-CD1 3.51Å; F192-L198 HydrophobicContact CZ-CD1 4.29Å; I193-L198 PolarHBondContact O-N 3.37Å; F196-L198 HydrophobicContact CB-CD1 3.72Å; F196-L198 HydrophobicContact CB-CD2 4.31Å; F196-L198 HydrophobicContact CB-CG 3.65Å; F196-L198 PolarHBondContact O-N 2.99Å; F196-L198 VanDerWaalsContact O-N 3.16Å | ||
| 199 | V | 97.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -136.9 | 131.1 | 179.3 | -179 | 0 | 0 | 0 | 0 | 109.5 | L155 I193 E203 L204 | L155-V199 HydrophobicContact CB-CG2 3.97Å; I193-V199 HydrophobicContact CB-CB 4.32Å; I193-V199 HydrophobicContact CB-CG2 3.99Å; I193-V199 HydrophobicContact CD1-CB 3.93Å; I193-V199 HydrophobicContact CD1-CG1 4.48Å; I193-V199 HydrophobicContact CD1-CG2 4.05Å; I193-V199 HydrophobicContact CG2-CG2 3.9Å; V199-E203 HydrophobicContact CG1-CB 3.84Å; V199-E203 HydrophobicContact CG1-CG 4.47Å; V199-L204 HydrophobicContact CB-CD2 4.46Å; V199-L204 HydrophobicContact CG1-CD2 3.74Å; V199-L204 HydrophobicContact CG1-CG 4.16Å |
| 200 | D | 95.4 | Very high | 96 | Very high | 95 Ų | 95 | 57.5 Ų | 57.5 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | trans | -63.4 | 142 | 177.9 | -169.5 | -71.2 | 0 | 0 | 0 | 111.4 | R202 E203 | D200-R202 PolarHBondContact O-N 3.3Å; D200-R202 VanDerWaalsContact O-N 3.17Å; D200-R202 VanDerWaalsContact OD1-CB 3.27Å; D200-R202 WeakPolarHBondContact OD1-CB 3.44Å; D200-R202 VanDerWaalsContact OD1-CG 3.26Å; D200-R202 WeakPolarHBondContact OD1-CG 3.28Å; D200-R202 PolarHBondContact OD1-N 2.98Å; D200-E203 HydrophobicContact CB-CG 4.45Å; D200-E203 WeakPolarHBondContact O-CB 3.45Å; D200-E203 PolarHBondContact O-N 3.43Å; D200-E203 VanDerWaalsContact O-N 3.07Å | ||
| 201 | Q | 93.6 | Very high | 95.8 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 39% | 0.393 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.8 | -35.2 | 179.3 | -175.4 | 65 | 42.3 | 0 | 0 | 112.8 | E203 L204 | Q201-E203 VanDerWaalsContact C-N 3.28Å; Q201-E203 PolarHBondContact O-N 3.3Å; Q201-L204 WeakPolarHBondContact O-CB 3.25Å; Q201-L204 PolarHBondContact O-N 2.69Å |
| 202 | R | 94.4 | Very high | 95.6 | Very high | 209 Ų | 209 | 61.1 Ų | 61.1 | 79% | 0.789 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.1 | -33.8 | -179.5 | -63 | 171.8 | -176.7 | -175.7 | 2.5 | 112.1 | D200 L204 E205 | D200-R202 PolarHBondContact O-N 3.3Å; D200-R202 VanDerWaalsContact O-N 3.17Å; D200-R202 VanDerWaalsContact OD1-CB 3.27Å; D200-R202 WeakPolarHBondContact OD1-CB 3.44Å; D200-R202 VanDerWaalsContact OD1-CG 3.26Å; D200-R202 WeakPolarHBondContact OD1-CG 3.28Å; D200-R202 PolarHBondContact OD1-N 2.98Å; R202-L204 PolarHBondContact O-N 3.3Å; R202-E205 WeakPolarHBondContact O-CB 3.37Å; R202-E205 PolarHBondContact O-N 2.69Å |
| 203 | E | 94.9 | Very high | 95.2 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69 | -22.9 | 176.6 | -65.6 | -72.4 | 145.4 | 0 | 0 | 111.6 | T156 F159 R160 V199 D200 Q201 P206 | T156-E203 HydrophobicContact CG2-CB 4.29Å; T156-E203 HydrophobicContact CG2-CG 3.83Å; T156-E203 VanDerWaalsContact CG2-OE2 3.31Å; T156-E203 WeakPolarHBondContact CG2-OE2 3.31Å; F159-E203 WeakPolarHBondContact CE1-O 3.48Å; R160-E203 IonicContact NH2-OE2 3.24Å; V199-E203 HydrophobicContact CG1-CB 3.84Å; V199-E203 HydrophobicContact CG1-CG 4.47Å; D200-E203 HydrophobicContact CB-CG 4.45Å; D200-E203 WeakPolarHBondContact O-CB 3.45Å; D200-E203 PolarHBondContact O-N 3.43Å; D200-E203 VanDerWaalsContact O-N 3.07Å; Q201-E203 VanDerWaalsContact C-N 3.28Å; Q201-E203 PolarHBondContact O-N 3.3Å; E203-P206 VanDerWaalsContact O-CD 3.31Å; E203-P206 WeakPolarHBondContact O-CD 3.33Å |
| 204 | L | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -87.7 | -10.3 | -176.4 | -54.4 | 179.1 | 0 | 0 | 0 | 113.8 | F159 Y190 I193 V199 Q201 R202 P206 L207 R208 | F159-L204 HydrophobicContact CD1-CD2 4.22Å; F159-L204 HydrophobicContact CD2-CD2 3.75Å; F159-L204 HydrophobicContact CE1-CD2 4.15Å; F159-L204 HydrophobicContact CE2-CD2 3.63Å; F159-L204 HydrophobicContact CG-CD2 4.04Å; F159-L204 HydrophobicContact CZ-CB 4.33Å; F159-L204 HydrophobicContact CZ-CD2 3.86Å; Y190-L204 HydrophobicContact CD2-CD1 4.37Å; Y190-L204 HydrophobicContact CE2-CD1 3.94Å; I193-L204 HydrophobicContact CD1-CD1 3.96Å; I193-L204 HydrophobicContact CD1-CD2 3.61Å; I193-L204 HydrophobicContact CD1-CG 4.44Å; V199-L204 HydrophobicContact CB-CD2 4.46Å; V199-L204 HydrophobicContact CG1-CD2 3.74Å; V199-L204 HydrophobicContact CG1-CG 4.16Å; Q201-L204 WeakPolarHBondContact O-CB 3.25Å; Q201-L204 PolarHBondContact O-N 2.69Å; R202-L204 PolarHBondContact O-N 3.3Å; L204-P206 VanDerWaalsContact C-N 3.33Å; L204-L207 PolarHBondContact O-N 3.33Å; L204-R208 PolarHBondContact O-N 3.13Å |
| 205 | E | 95.6 | Very high | 94.2 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -51.9 | -38.8 | -178.4 | -168.1 | 63.5 | -164 | 0 | 0 | 114.8 | Y96 R202 L207 R208 | Y96-E205 WeakPolarHBondContact OH-CG 3.21Å; R202-E205 WeakPolarHBondContact O-CB 3.37Å; R202-E205 PolarHBondContact O-N 2.69Å; E205-L207 PolarHBondContact O-N 3.24Å; E205-R208 WeakPolarHBondContact O-CB 3.42Å; E205-R208 PolarHBondContact O-N 2.82Å; E205-R208 VanDerWaalsContact O-N 3.07Å; E205-R208 IonicContact OE1-CZ 3.37Å; E205-R208 IonicContact OE1-NE 3.71Å; E205-R208 IonicContact OE1-NH1 2.82Å; E205-R208 PolarHBondContact OE1-NH1 3.44Å; E205-R208 IonicContact OE2-NH1 2.69Å |
| 206 | P | 96.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 70.2 Ų | 70.2 | 14% | 0.143 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -57.6 | -24.9 | -179.4 | -25.5 | 34.5 | 0 | 0 | 0 | 115 | Y96 Y98 V163 E203 L204 | Y96-P206 HydrophobicContact CD1-CG 3.98Å; Y96-P206 HydrophobicContact CD2-CB 3.76Å; Y96-P206 HydrophobicContact CD2-CG 3.73Å; Y96-P206 HydrophobicContact CE1-CG 4.05Å; Y96-P206 HydrophobicContact CE2-CB 3.85Å; Y96-P206 HydrophobicContact CE2-CG 3.79Å; Y96-P206 HydrophobicContact CG-CB 4.3Å; Y96-P206 HydrophobicContact CG-CG 3.82Å; Y98-P206 WeakPolarHBondContact OH-CG 3.49Å; V163-P206 HydrophobicContact CG1-CB 3.63Å; V163-P206 HydrophobicContact CG2-CB 3.99Å; V163-P206 HydrophobicContact CG2-CG 4.49Å; E203-P206 VanDerWaalsContact O-CD 3.31Å; E203-P206 WeakPolarHBondContact O-CD 3.33Å; L204-P206 VanDerWaalsContact C-N 3.33Å |
| 207 | L | 95.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 72 Ų | 72 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -117 | 20.4 | 178.2 | -64.2 | -179.5 | 0 | 0 | 0 | 112.9 | F159 F162 V163 Y166 I167 Y186 L204 E205 E209 M210 T211 | F159-L207 HydrophobicContact CE2-CB 4.39Å; F159-L207 HydrophobicContact CE2-CD1 3.9Å; F159-L207 HydrophobicContact CE2-CG 4.46Å; F159-L207 HydrophobicContact CZ-CB 3.96Å; F159-L207 HydrophobicContact CZ-CD1 3.92Å; F159-L207 HydrophobicContact CZ-CG 4.02Å; F162-L207 HydrophobicContact CB-CD1 4.01Å; V163-L207 HydrophobicContact CB-CD1 4.47Å; V163-L207 HydrophobicContact CB-CG 4.42Å; V163-L207 HydrophobicContact CG2-CD1 4Å; V163-L207 HydrophobicContact CG2-CG 3.96Å; Y166-L207 HydrophobicContact CD2-CD1 4.17Å; I167-L207 HydrophobicContact CG1-CD2 4.48Å; Y186-L207 HydrophobicContact CE2-CD1 3.76Å; L204-L207 PolarHBondContact O-N 3.33Å; E205-L207 PolarHBondContact O-N 3.24Å; L207-E209 PolarHBondContact O-N 3.41Å; L207-M210 HydrophobicContact CB-CE 4.21Å; L207-M210 HydrophobicContact CD1-CE 3.69Å; L207-M210 HydrophobicContact CD2-CE 3.59Å; L207-M210 HydrophobicContact CD2-SD 4.47Å; L207-M210 HydrophobicContact CG-CE 4.02Å; L207-M210 PolarHBondContact O-N 3.34Å; L207-T211 WeakPolarHBondContact O-CB 3.3Å; L207-T211 PolarHBondContact O-N 3.38Å; L207-T211 PolarHBondContact O-OG1 3.23Å |
| 208 | R | 94.9 | Very high | 92.9 | Very high | 110 Ų | 110 | 70.1 Ų | 70.1 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.6 | -55.9 | -175.9 | -171.8 | -174.6 | 73.8 | -165.4 | 6.7 | 112.8 | L204 E205 M210 T211 E212 | L204-R208 PolarHBondContact O-N 3.13Å; E205-R208 WeakPolarHBondContact O-CB 3.42Å; E205-R208 PolarHBondContact O-N 2.82Å; E205-R208 VanDerWaalsContact O-N 3.07Å; E205-R208 IonicContact OE1-CZ 3.37Å; E205-R208 IonicContact OE1-NE 3.71Å; E205-R208 IonicContact OE1-NH1 2.82Å; E205-R208 PolarHBondContact OE1-NH1 3.44Å; E205-R208 IonicContact OE2-NH1 2.69Å; R208-M210 VanDerWaalsContact C-N 3.31Å; R208-M210 PolarHBondContact O-N 3.24Å; R208-T211 WeakPolarHBondContact O-CB 3.48Å; R208-T211 PolarHBondContact O-N 3.36Å; R208-T211 VanDerWaalsContact O-N 3.13Å; R208-E212 PolarHBondContact O-N 3.16Å |
| 209 | E | 92.3 | Very high | 92.7 | Very high | 116 Ų | 116 | 73.8 Ų | 73.8 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | -178.3 | -64.3 | -178.8 | -170.9 | 0 | 0 | 112.6 | L207 E212 R213 | L207-E209 PolarHBondContact O-N 3.41Å; E209-E212 PolarHBondContact O-N 2.95Å; E209-R213 WeakPolarHBondContact O-CG 3.39Å; E209-R213 PolarHBondContact O-N 3.01Å; E209-R213 VanDerWaalsContact O-N 3.16Å |
| 210 | M | 91.7 | Very high | 92.4 | Very high | 38 Ų | 38 | 77.7 Ų | 77.7 | 19% | 0.187 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.1 | -34.6 | 178.4 | -172.1 | 174.6 | 77.4 | 0 | 0 | 111.7 | Y166 Y186 L207 R208 E212 R213 I214 | Y166-M210 HydrophobicContact CD1-CE 3.5Å; Y166-M210 VanDerWaalsContact CD1-CE 3.5Å; Y166-M210 HydrophobicContact CD1-SD 3.25Å; Y166-M210 WeakPolarHBondContact CD1-SD 3.5Å; Y166-M210 HydrophobicContact CD2-CE 3.1Å; Y166-M210 HydrophobicContact CD2-SD 4.07Å; Y166-M210 HydrophobicContact CE1-CE 3.7Å; Y166-M210 HydrophobicContact CE1-SD 3.57Å; Y166-M210 VanDerWaalsContact CE1-SD 3.57Å; Y166-M210 HydrophobicContact CE2-CE 3.32Å; Y166-M210 HydrophobicContact CE2-SD 4.33Å; Y166-M210 HydrophobicContact CG-CE 3.17Å; Y166-M210 HydrophobicContact CG-SD 3.5Å; Y166-M210 VanDerWaalsContact CG-SD 3.5Å; Y186-M210 HydrophobicContact CE1-CE 4.49Å; L207-M210 HydrophobicContact CB-CE 4.21Å; L207-M210 HydrophobicContact CD1-CE 3.69Å; L207-M210 HydrophobicContact CD2-CE 3.59Å; L207-M210 HydrophobicContact CD2-SD 4.47Å; L207-M210 HydrophobicContact CG-CE 4.02Å; L207-M210 PolarHBondContact O-N 3.34Å; R208-M210 VanDerWaalsContact C-N 3.31Å; R208-M210 PolarHBondContact O-N 3.24Å; M210-E212 VanDerWaalsContact C-N 3.34Å; M210-R213 PolarHBondContact O-N 3.38Å; M210-I214 HydrophobicContact CE-CD1 4.44Å; M210-I214 HydrophobicContact CG-CD1 3.55Å; M210-I214 HydrophobicContact CG-CG1 4.27Å; M210-I214 WeakPolarHBondContact O-CB 3.38Å; M210-I214 VanDerWaalsContact O-CG1 3.3Å; M210-I214 WeakPolarHBondContact O-CG1 3.33Å; M210-I214 PolarHBondContact O-N 3.44Å; M210-I214 HydrophobicContact SD-CD1 4.22Å |
| 211 | T | 94.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 76.6 Ų | 76.6 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 173.2 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | Y186 Y190 L207 R208 R213 I214 C215 | Y186-T211 PolarHBondContact OH-OG1 2.86Å; Y190-T211 HydrophobicContact CD1-CG2 3.91Å; Y190-T211 HydrophobicContact CD2-CG2 3.86Å; Y190-T211 HydrophobicContact CE1-CG2 3.57Å; Y190-T211 HydrophobicContact CE2-CG2 3.53Å; Y190-T211 HydrophobicContact CG-CG2 4.04Å; L207-T211 WeakPolarHBondContact O-CB 3.3Å; L207-T211 PolarHBondContact O-N 3.38Å; L207-T211 PolarHBondContact O-OG1 3.23Å; R208-T211 WeakPolarHBondContact O-CB 3.48Å; R208-T211 PolarHBondContact O-N 3.36Å; R208-T211 VanDerWaalsContact O-N 3.13Å; T211-R213 VanDerWaalsContact C-N 3.28Å; T211-R213 PolarHBondContact O-N 2.88Å; T211-I214 PolarHBondContact O-N 2.88Å; T211-C215 HydrophobicContact CG2-CB 4.18Å; T211-C215 WeakPolarHBondContact O-CA 3.35Å; T211-C215 WeakPolarHBondContact O-CB 3.48Å; T211-C215 PolarHBondContact O-N 2.92Å |
| 212 | E | 92.8 | Very high | 92.2 | Very high | 104 Ų | 104 | 76.1 Ų | 76.1 | 49% | 0.486 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.2 | -42.4 | 173.6 | -73.1 | 169.5 | -172.2 | 0 | 0 | 111.5 | R208 E209 M210 H216 | R208-E212 PolarHBondContact O-N 3.16Å; E209-E212 PolarHBondContact O-N 2.95Å; M210-E212 VanDerWaalsContact C-N 3.34Å; E212-H216 WeakPolarHBondContact O-CB 3.47Å; E212-H216 PolarHBondContact O-N 2.92Å |
| 213 | R | 89.8 | Confident | 92 | Very high | 196 Ų | 196 | 66.6 Ų | 66.6 | 74% | 0.74 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -73.4 | -32.3 | 180 | -66.7 | 175.9 | -167.5 | 173.7 | 6.9 | 114.9 | E209 M210 T211 | E209-R213 WeakPolarHBondContact O-CG 3.39Å; E209-R213 PolarHBondContact O-N 3.01Å; E209-R213 VanDerWaalsContact O-N 3.16Å; M210-R213 PolarHBondContact O-N 3.38Å; T211-R213 VanDerWaalsContact C-N 3.28Å; T211-R213 PolarHBondContact O-N 2.88Å |
| 214 | I | 87.9 | Confident | 91.8 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -95 | -33.7 | -172.3 | -63 | 173.8 | 0 | 0 | 0 | 111.6 | N183 Y186 K187 M210 T211 | N183-I214 HydrophobicContact CB-CD1 4.37Å; N183-I214 HydrophobicContact CB-CG2 4.28Å; Y186-I214 HydrophobicContact CD1-CD1 4.38Å; K187-I214 HydrophobicContact CB-CG2 4.22Å; K187-I214 HydrophobicContact CD-CG2 4.36Å; K187-I214 WeakPolarHBondContact CD-O 3.39Å; K187-I214 WeakPolarHBondContact CE-O 3.33Å; K187-I214 PolarHBondContact NZ-O 3.41Å; M210-I214 HydrophobicContact CE-CD1 4.44Å; M210-I214 HydrophobicContact CG-CD1 3.55Å; M210-I214 HydrophobicContact CG-CG1 4.27Å; M210-I214 WeakPolarHBondContact O-CB 3.38Å; M210-I214 VanDerWaalsContact O-CG1 3.3Å; M210-I214 WeakPolarHBondContact O-CG1 3.33Å; M210-I214 PolarHBondContact O-N 3.44Å; M210-I214 HydrophobicContact SD-CD1 4.22Å; T211-I214 PolarHBondContact O-N 2.88Å |
| 215 | C | 86 | Confident | 91.4 | Very high | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -108.2 | -9.5 | -168.8 | -57.1 | 0 | 0 | 0 | 0 | 114 | R45 Y190 Y191 T211 | R45-C215 PolarHBondContact NH2-O 2.89Å; Y190-C215 HydrophobicContact CD1-CB 3.93Å; Y190-C215 HydrophobicContact CE1-CB 4.06Å; Y191-C215 HydrophobicContact CE1-CB 3.85Å; Y191-C215 PolarHBondContact OH-O 3.38Å; T211-C215 HydrophobicContact CG2-CB 4.18Å; T211-C215 WeakPolarHBondContact O-CA 3.35Å; T211-C215 WeakPolarHBondContact O-CB 3.48Å; T211-C215 PolarHBondContact O-N 2.92Å |
| 216 | H | 80.5 | Confident | 91.1 | Very high | 160 Ų | 160 | 72.2 Ų | 72.2 | 74% | 0.741 | 32% | 0.319 | S | S | * | . | trans | -129.2 | 0 | 178.5 | -60.1 | -82.9 | 0 | 0 | 0 | 109.8 | E212 | E212-H216 WeakPolarHBondContact O-CB 3.47Å; E212-H216 PolarHBondContact O-N 2.92Å |
Retrieved 216 of 216 residues in 453.1 ms
(Link to these results)