| 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 | 81.1 | Confident | 92.7 | Very high | 134 Ų | 134 | 87.1 Ų | 87.1 | 66% | 0.66 | 44% | 0.443 | S | S | * | . | 0 | -52.4 | 0 | -164.8 | 166.3 | 63.1 | 0 | 0 | 111.3 | L3 T4 I5 F186 | M1-L3 PolarHBondContact O-N 2.87Å; M1-T4 WeakPolarHBondContact O-CB 3.11Å; M1-T4 PolarHBondContact O-N 3.08Å; M1-I5 HydrophobicContact CG-CD1 4.05Å; M1-I5 HydrophobicContact CG-CG1 4.45Å; M1-I5 PolarHBondContact O-N 2.76Å; M1-F186 HydrophobicContact CG-CD2 3.81Å; M1-F186 HydrophobicContact CG-CE2 4.08Å; M1-F186 HydrophobicContact SD-CD2 4.09Å | |||
| 2 | E | 88 | Confident | 92.9 | Very high | 127 Ų | 127 | 82.3 Ų | 82.3 | 59% | 0.593 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -51 | -48.1 | 178.2 | -64.5 | -54.6 | 127.9 | 0 | 0 | 114.7 | T4 I5 F6 | E2-T4 VanDerWaalsContact C-N 3.29Å; E2-T4 PolarHBondContact O-N 3.36Å; E2-I5 PolarHBondContact O-N 3.03Å; E2-F6 WeakPolarHBondContact O-CB 3.46Å; E2-F6 PolarHBondContact O-N 3.24Å |
| 3 | L | 92.2 | Very high | 93 | Very high | 125 Ų | 125 | 83.7 Ų | 83.7 | 65% | 0.654 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.4 | -39.2 | 177.8 | -178.6 | 62.1 | 0 | 0 | 0 | 112.3 | M1 F6 I7 | M1-L3 PolarHBondContact O-N 2.87Å; L3-F6 WeakPolarHBondContact O-CB 3.47Å; L3-F6 PolarHBondContact O-N 3.34Å; L3-I7 HydrophobicContact CD1-CD1 4.28Å; L3-I7 HydrophobicContact CG-CD1 4.07Å; L3-I7 VanDerWaalsContact O-CG1 3.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.47Å; L3-I7 PolarHBondContact O-N 2.94Å |
| 4 | T | 93.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 85.9 Ų | 85.9 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 176.5 | -46.5 | 0 | 0 | 0 | 0 | 111.1 | M1 E2 F6 I7 L8 F186 | M1-T4 WeakPolarHBondContact O-CB 3.11Å; M1-T4 PolarHBondContact O-N 3.08Å; E2-T4 VanDerWaalsContact C-N 3.29Å; E2-T4 PolarHBondContact O-N 3.36Å; T4-F6 VanDerWaalsContact C-N 3.28Å; T4-F6 PolarHBondContact O-N 3.03Å; T4-I7 PolarHBondContact O-N 3.29Å; T4-L8 HydrophobicContact CG2-CD1 4.17Å; T4-L8 WeakPolarHBondContact O-CG 3.49Å; T4-L8 PolarHBondContact O-N 3Å; T4-F186 HydrophobicContact CG2-CE2 4.38Å; T4-F186 HydrophobicContact CG2-CZ 4.1Å |
| 5 | I | 92.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 89.8 Ų | 89.8 | 1% | 0.01 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59 | -44 | 175.7 | -66 | 173.3 | 0 | 0 | 0 | 109.9 | M1 E2 L8 R9 F186 Q189 V190 | M1-I5 HydrophobicContact CG-CD1 4.05Å; M1-I5 HydrophobicContact CG-CG1 4.45Å; M1-I5 PolarHBondContact O-N 2.76Å; E2-I5 PolarHBondContact O-N 3.03Å; I5-L8 PolarHBondContact O-N 2.82Å; I5-R9 HydrophobicContact CG2-CG 4.32Å; I5-R9 WeakPolarHBondContact O-CB 3.31Å; I5-R9 VanDerWaalsContact O-CG 3.29Å; I5-R9 WeakPolarHBondContact O-CG 3.47Å; I5-R9 PolarHBondContact O-N 3.28Å; I5-F186 HydrophobicContact CD1-CD2 3.95Å; I5-F186 HydrophobicContact CD1-CE2 4.23Å; I5-F186 HydrophobicContact CG1-CD2 3.69Å; I5-F186 HydrophobicContact CG1-CE2 3.48Å; I5-F186 VanDerWaalsContact CG1-CE2 3.48Å; I5-F186 HydrophobicContact CG1-CZ 4.36Å; I5-Q189 HydrophobicContact CD1-CB 4.36Å; I5-Q189 HydrophobicContact CG2-CB 4.31Å; I5-V190 HydrophobicContact CB-CG2 4.35Å; I5-V190 HydrophobicContact CG1-CG2 4.14Å; I5-V190 HydrophobicContact CG2-CG2 4.13Å |
| 6 | F | 94.3 | Very high | 93.4 | Very high | 133 Ų | 133 | 84.8 Ų | 84.8 | 58% | 0.583 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.7 | -48.9 | 177.3 | 177.6 | -97 | 0 | 0 | 0 | 112.4 | E2 L3 T4 L8 R9 L10 | E2-F6 WeakPolarHBondContact O-CB 3.46Å; E2-F6 PolarHBondContact O-N 3.24Å; L3-F6 WeakPolarHBondContact O-CB 3.47Å; L3-F6 PolarHBondContact O-N 3.34Å; T4-F6 VanDerWaalsContact C-N 3.28Å; T4-F6 PolarHBondContact O-N 3.03Å; F6-L8 PolarHBondContact O-N 3.35Å; F6-R9 PolarHBondContact O-N 2.9Å; F6-L10 PolarHBondContact O-N 2.83Å |
| 7 | I | 95.9 | Very high | 93.6 | Very high | 98 Ų | 98 | 87.1 Ų | 87.1 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 178.8 | -68.9 | 165.1 | 0 | 0 | 0 | 111 | L3 T4 L10 A11 | L3-I7 HydrophobicContact CD1-CD1 4.28Å; L3-I7 HydrophobicContact CG-CD1 4.07Å; L3-I7 VanDerWaalsContact O-CG1 3.31Å; L3-I7 WeakPolarHBondContact O-CG1 3.47Å; L3-I7 PolarHBondContact O-N 2.94Å; T4-I7 PolarHBondContact O-N 3.29Å; I7-L10 WeakPolarHBondContact O-CB 3.32Å; I7-L10 PolarHBondContact O-N 2.83Å; I7-A11 PolarHBondContact O-N 3.47Å |
| 8 | L | 96.7 | Very high | 93.7 | Very high | 55 Ų | 55 | 86.6 Ų | 86.6 | 29% | 0.288 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 179.3 | -68.9 | 174.9 | 0 | 0 | 0 | 112.1 | T4 I5 F6 L10 A11 I12 F186 W187 V190 | T4-L8 HydrophobicContact CG2-CD1 4.17Å; T4-L8 WeakPolarHBondContact O-CG 3.49Å; T4-L8 PolarHBondContact O-N 3Å; I5-L8 PolarHBondContact O-N 2.82Å; F6-L8 PolarHBondContact O-N 3.35Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.63Å; L8-A11 PolarHBondContact O-N 2.92Å; L8-I12 WeakPolarHBondContact O-CG1 3.45Å; L8-I12 PolarHBondContact O-N 3.05Å; L8-F186 HydrophobicContact CD1-CE1 3.95Å; L8-F186 HydrophobicContact CD1-CZ 3.63Å; L8-W187 HydrophobicContact CD1-CZ3 4.44Å; L8-V190 HydrophobicContact CB-CG1 3.74Å; L8-V190 HydrophobicContact CB-CG2 4.19Å; L8-V190 HydrophobicContact CD1-CG1 4.31Å; L8-V190 HydrophobicContact CD1-CG2 4Å |
| 9 | R | 95.5 | Very high | 93.7 | Very high | 75 Ų | 75 | 83.8 Ų | 83.8 | 28% | 0.283 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 172.7 | -79.9 | 177.7 | 171.6 | 178.1 | -3.2 | 111.4 | I5 F6 A11 I12 Y13 Q189 P193 | I5-R9 HydrophobicContact CG2-CG 4.32Å; I5-R9 WeakPolarHBondContact O-CB 3.31Å; I5-R9 VanDerWaalsContact O-CG 3.29Å; I5-R9 WeakPolarHBondContact O-CG 3.47Å; I5-R9 PolarHBondContact O-N 3.28Å; F6-R9 PolarHBondContact O-N 2.9Å; R9-A11 VanDerWaalsContact C-N 3.34Å; R9-A11 PolarHBondContact O-N 2.76Å; R9-I12 PolarHBondContact O-N 2.65Å; R9-Y13 HydrophobicContact CB-CD2 4.49Å; R9-Y13 HydrophobicContact CB-CE2 4.2Å; R9-Y13 WeakPolarHBondContact O-CD2 3.48Å; R9-Y13 PolarHBondContact O-N 2.93Å; R9-Q189 PolarHBondContact NE-O 3.47Å; R9-Q189 PolarHBondContact NH2-O 2.94Å; R9-P193 HydrophobicContact CG-CG 4.28Å |
| 10 | L | 94.6 | Very high | 93.8 | Very high | 92 Ų | 92 | 82.6 Ų | 82.6 | 48% | 0.482 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 176.6 | -174.3 | 62.8 | 0 | 0 | 0 | 111.5 | F6 I7 L8 I12 Y13 I14 | F6-L10 PolarHBondContact O-N 2.83Å; I7-L10 WeakPolarHBondContact O-CB 3.32Å; I7-L10 PolarHBondContact O-N 2.83Å; L8-L10 VanDerWaalsContact C-N 3.32Å; L8-L10 PolarHBondContact O-N 2.63Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 2.78Å; L10-Y13 PolarHBondContact O-N 2.91Å; L10-I14 HydrophobicContact CG-CD1 4.25Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.43Å |
| 11 | A | 95.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 82.5 Ų | 82.5 | 37% | 0.372 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I7 L8 R9 I14 L15 | I7-A11 PolarHBondContact O-N 3.47Å; L8-A11 PolarHBondContact O-N 2.92Å; R9-A11 VanDerWaalsContact C-N 3.34Å; R9-A11 PolarHBondContact O-N 2.76Å; A11-I14 PolarHBondContact O-N 2.89Å; A11-L15 WeakPolarHBondContact O-CG 3.33Å; A11-L15 PolarHBondContact O-N 2.79Å |
| 12 | I | 95.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 78.9 Ų | 78.9 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.3 | -74.7 | 164.6 | 0 | 0 | 0 | 111.7 | L8 R9 L10 I14 L15 A16 V190 L191 V194 | L8-I12 WeakPolarHBondContact O-CG1 3.45Å; L8-I12 PolarHBondContact O-N 3.05Å; R9-I12 PolarHBondContact O-N 2.65Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 PolarHBondContact O-N 2.78Å; I12-I14 VanDerWaalsContact C-N 3.31Å; I12-I14 PolarHBondContact O-N 2.88Å; I12-L15 PolarHBondContact O-N 2.95Å; I12-A16 VanDerWaalsContact O-CB 3.28Å; I12-A16 WeakPolarHBondContact O-CB 3.41Å; I12-A16 PolarHBondContact O-N 2.88Å; I12-V190 HydrophobicContact CD1-CG1 3.32Å; I12-V190 VanDerWaalsContact CD1-O 3.29Å; I12-V190 WeakPolarHBondContact CD1-O 3.43Å; I12-L191 HydrophobicContact CD1-CD2 3.71Å; I12-L191 HydrophobicContact CD1-CG 4.32Å; I12-V194 HydrophobicContact CG2-CB 4.05Å; I12-V194 HydrophobicContact CG2-CG2 3.33Å |
| 13 | Y | 94.6 | Very high | 94.8 | Very high | 100 Ų | 100 | 76.1 Ų | 76.1 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.8 | -73.9 | -52.1 | 0 | 0 | 0 | 112 | R9 L10 A16 F17 Y20 P193 | R9-Y13 HydrophobicContact CB-CD2 4.49Å; R9-Y13 HydrophobicContact CB-CE2 4.2Å; R9-Y13 WeakPolarHBondContact O-CD2 3.48Å; R9-Y13 PolarHBondContact O-N 2.93Å; L10-Y13 PolarHBondContact O-N 2.91Å; Y13-A16 CarbonylContact O-C 3.52Å; Y13-A16 PolarHBondContact O-N 2.96Å; Y13-F17 WeakPolarHBondContact O-CA 3.28Å; Y13-F17 PolarHBondContact O-N 2.79Å; Y13-Y20 HydrophobicContact CD1-CD2 4.48Å; Y13-Y20 AromaticContact CD1-CE2 3.59Å; Y13-Y20 HydrophobicContact CD1-CE2 3.59Å; Y13-Y20 AromaticContact CD1-CZ 3.72Å; Y13-Y20 HydrophobicContact CE1-CE2 4.17Å; Y13-Y20 AromaticContact CE1-CZ 3.79Å; Y13-Y20 VanDerWaalsContact CE1-OH 3.3Å; Y13-Y20 WeakPolarHBondContact CE1-OH 3.37Å; Y13-P193 HydrophobicContact CE1-CB 3.57Å; Y13-P193 HydrophobicContact CE1-CG 4.47Å; Y13-P193 VanDerWaalsContact OH-CB 3.25Å; Y13-P193 WeakPolarHBondContact OH-CB 3.28Å |
| 14 | I | 95 | Very high | 94.9 | Very high | 115 Ų | 115 | 78.7 Ų | 78.7 | 59% | 0.59 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 176.4 | -67.7 | 164.2 | 0 | 0 | 0 | 110.1 | L10 A11 I12 A16 F17 | L10-I14 HydrophobicContact CG-CD1 4.25Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.43Å; A11-I14 PolarHBondContact O-N 2.89Å; I12-I14 VanDerWaalsContact C-N 3.31Å; I12-I14 PolarHBondContact O-N 2.88Å; I14-A16 PolarHBondContact O-N 3.11Å; I14-F17 VanDerWaalsContact O-CB 3.27Å; I14-F17 WeakPolarHBondContact O-CB 3.36Å; I14-F17 PolarHBondContact O-N 3.13Å |
| 15 | L | 94.9 | Very high | 95.1 | Very high | 144 Ų | 144 | 80.1 Ų | 80.1 | 75% | 0.754 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 179.5 | -69.1 | 172 | 0 | 0 | 0 | 112.7 | A11 I12 F17 | A11-L15 WeakPolarHBondContact O-CG 3.33Å; A11-L15 PolarHBondContact O-N 2.79Å; I12-L15 PolarHBondContact O-N 2.95Å; L15-F17 VanDerWaalsContact C-N 3.32Å |
| 16 | A | 95.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 82.2 Ų | 82.2 | 8% | 0.083 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I12 Y13 I14 P18 I19 Y20 V194 | I12-A16 VanDerWaalsContact O-CB 3.28Å; I12-A16 WeakPolarHBondContact O-CB 3.41Å; I12-A16 PolarHBondContact O-N 2.88Å; Y13-A16 CarbonylContact O-C 3.52Å; Y13-A16 PolarHBondContact O-N 2.96Å; I14-A16 PolarHBondContact O-N 3.11Å; A16-P18 VanDerWaalsContact C-N 3.31Å; A16-I19 WeakPolarHBondContact O-CA 3.31Å; A16-I19 WeakPolarHBondContact O-CB 3.43Å; A16-I19 PolarHBondContact O-N 2.92Å; A16-Y20 HydrophobicContact CB-CD2 4.02Å; A16-Y20 HydrophobicContact CB-CE2 3.79Å; A16-Y20 WeakPolarHBondContact O-CD2 3.46Å; A16-Y20 PolarHBondContact O-N 3.29Å; A16-Y20 VanDerWaalsContact O-N 3.1Å; A16-V194 HydrophobicContact CB-CB 4.41Å; A16-V194 HydrophobicContact CB-CG1 3.88Å; A16-V194 HydrophobicContact CB-CG2 3.51Å |
| 17 | F | 96.1 | Very high | 95.1 | Very high | 124 Ų | 124 | 79.7 Ų | 79.7 | 54% | 0.544 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -50.4 | -42.4 | -177.7 | 178.4 | -100.3 | 0 | 0 | 0 | 113.7 | Y13 I14 L15 I19 Y20 L21 | Y13-F17 WeakPolarHBondContact O-CA 3.28Å; Y13-F17 PolarHBondContact O-N 2.79Å; I14-F17 VanDerWaalsContact O-CB 3.27Å; I14-F17 WeakPolarHBondContact O-CB 3.36Å; I14-F17 PolarHBondContact O-N 3.13Å; L15-F17 VanDerWaalsContact C-N 3.32Å; F17-I19 VanDerWaalsContact C-N 3.27Å; F17-I19 PolarHBondContact O-N 2.83Å; F17-Y20 PolarHBondContact O-N 2.84Å; F17-L21 HydrophobicContact CE1-CD2 4.32Å; F17-L21 WeakPolarHBondContact O-CB 3.32Å; F17-L21 PolarHBondContact O-N 2.9Å |
| 18 | P | 95.8 | Very high | 95 | Very high | 78 Ų | 78 | 77.1 Ų | 77.1 | 51% | 0.506 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 176.5 | -24.9 | 35.4 | 0 | 0 | 0 | 113.3 | A16 L21 L22 | A16-P18 VanDerWaalsContact C-N 3.31Å; P18-L21 PolarHBondContact O-N 3.08Å; P18-L22 WeakPolarHBondContact O-CB 3.41Å; P18-L22 VanDerWaalsContact O-CG 3.25Å; P18-L22 WeakPolarHBondContact O-CG 3.47Å; P18-L22 PolarHBondContact O-N 2.94Å |
| 19 | I | 94.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 76.1 Ų | 76.1 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.3 | -44.8 | 178.3 | -60.8 | 178.6 | 0 | 0 | 0 | 110.1 | A16 F17 L21 L22 N23 W28 L197 L198 | A16-I19 WeakPolarHBondContact O-CA 3.31Å; A16-I19 WeakPolarHBondContact O-CB 3.43Å; A16-I19 PolarHBondContact O-N 2.92Å; F17-I19 VanDerWaalsContact C-N 3.27Å; F17-I19 PolarHBondContact O-N 2.83Å; I19-L21 VanDerWaalsContact C-N 3.33Å; I19-L21 PolarHBondContact O-N 3.36Å; I19-L22 PolarHBondContact O-N 3.34Å; I19-N23 VanDerWaalsContact O-CB 3.3Å; I19-N23 WeakPolarHBondContact O-CB 3.4Å; I19-N23 PolarHBondContact O-N 3.32Å; I19-W28 HydrophobicContact CD1-CH2 4.15Å; I19-W28 HydrophobicContact CD1-CZ2 4.28Å; I19-W28 HydrophobicContact CG1-CH2 4.17Å; I19-W28 HydrophobicContact CG1-CZ2 4.45Å; I19-W28 HydrophobicContact CG1-CZ3 4.28Å; I19-W28 HydrophobicContact CG2-CD2 3.65Å; I19-W28 VanDerWaalsContact CG2-CE2 3.42Å; I19-W28 HydrophobicContact CG2-CE3 4.14Å; I19-W28 HydrophobicContact CG2-CG 4.04Å; I19-W28 HydrophobicContact CG2-CH2 4.21Å; I19-W28 HydrophobicContact CG2-CZ2 3.74Å; I19-W28 HydrophobicContact CG2-CZ3 4.4Å; I19-L197 HydrophobicContact CG2-CB 4.06Å; I19-L197 HydrophobicContact CG2-CD1 4.09Å; I19-L198 HydrophobicContact CD1-CD2 3.68Å |
| 20 | Y | 94.4 | Very high | 94.5 | Very high | 59 Ų | 59 | 81.5 Ų | 81.5 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.2 | -76.9 | -71.1 | 0 | 0 | 0 | 112.2 | Y13 A16 F17 N23 F24 P193 V194 L197 | Y13-Y20 HydrophobicContact CD1-CD2 4.48Å; Y13-Y20 AromaticContact CD1-CE2 3.59Å; Y13-Y20 HydrophobicContact CD1-CE2 3.59Å; Y13-Y20 AromaticContact CD1-CZ 3.72Å; Y13-Y20 HydrophobicContact CE1-CE2 4.17Å; Y13-Y20 AromaticContact CE1-CZ 3.79Å; Y13-Y20 VanDerWaalsContact CE1-OH 3.3Å; Y13-Y20 WeakPolarHBondContact CE1-OH 3.37Å; A16-Y20 HydrophobicContact CB-CD2 4.02Å; A16-Y20 HydrophobicContact CB-CE2 3.79Å; A16-Y20 WeakPolarHBondContact O-CD2 3.46Å; A16-Y20 PolarHBondContact O-N 3.29Å; A16-Y20 VanDerWaalsContact O-N 3.1Å; F17-Y20 PolarHBondContact O-N 2.84Å; Y20-N23 PolarHBondContact O-N 3.28Å; Y20-F24 WeakPolarHBondContact O-CB 3.32Å; Y20-F24 PolarHBondContact O-N 3.16Å; Y20-P193 PolarHBondContact OH-O 3.22Å; Y20-V194 HydrophobicContact CE2-CG2 3.66Å; Y20-V194 WeakPolarHBondContact OH-CG2 3.27Å; Y20-V194 PolarHBondContact OH-N 3.16Å; Y20-L197 HydrophobicContact CD1-CD1 3.62Å; Y20-L197 HydrophobicContact CE1-CD1 3.35Å; Y20-L197 HydrophobicContact CE2-CD1 4.39Å; Y20-L197 HydrophobicContact CG-CD1 4.25Å |
| 21 | L | 95.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 80.7 Ų | 80.7 | 42% | 0.419 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 176.4 | -179.6 | 61.4 | 0 | 0 | 0 | 111.1 | F17 P18 I19 N23 F24 L25 | F17-L21 HydrophobicContact CE1-CD2 4.32Å; F17-L21 WeakPolarHBondContact O-CB 3.32Å; F17-L21 PolarHBondContact O-N 2.9Å; P18-L21 PolarHBondContact O-N 3.08Å; I19-L21 VanDerWaalsContact C-N 3.33Å; I19-L21 PolarHBondContact O-N 3.36Å; L21-N23 PolarHBondContact O-N 2.77Å; L21-F24 PolarHBondContact O-N 2.94Å; L21-L25 HydrophobicContact CD1-CD1 4.38Å; L21-L25 HydrophobicContact CG-CD1 4.26Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 2.7Å |
| 22 | L | 95.7 | Very high | 94.4 | Very high | 58 Ų | 58 | 79.1 Ų | 79.1 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.2 | -34.6 | 175.7 | -72.2 | 172.6 | 0 | 0 | 0 | 112.5 | P18 I19 G26 L27 W28 | P18-L22 WeakPolarHBondContact O-CB 3.41Å; P18-L22 VanDerWaalsContact O-CG 3.25Å; P18-L22 WeakPolarHBondContact O-CG 3.47Å; P18-L22 PolarHBondContact O-N 2.94Å; I19-L22 PolarHBondContact O-N 3.34Å; L22-G26 PolarHBondContact O-N 3.24Å; L22-L27 HydrophobicContact CD2-CB 4.33Å; L22-L27 HydrophobicContact CD2-CD1 4.07Å; L22-L27 PolarHBondContact O-N 3.46Å; L22-W28 HydrophobicContact CB-CB 3.95Å; L22-W28 HydrophobicContact CB-CE3 4.47Å; L22-W28 HydrophobicContact CD1-CE3 4.15Å; L22-W28 PolarHBondContact O-N 3.31Å |
| 23 | N | 94 | Very high | 94.3 | Very high | 69 Ų | 69 | 81.7 Ų | 81.7 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.4 | -43.4 | 176.5 | -173.8 | 70.8 | 0 | 0 | 0 | 111.8 | I19 Y20 L21 L25 G26 W28 L197 | I19-N23 VanDerWaalsContact O-CB 3.3Å; I19-N23 WeakPolarHBondContact O-CB 3.4Å; I19-N23 PolarHBondContact O-N 3.32Å; Y20-N23 PolarHBondContact O-N 3.28Å; L21-N23 PolarHBondContact O-N 2.77Å; N23-L25 VanDerWaalsContact C-N 3.26Å; N23-L25 PolarHBondContact O-N 3.01Å; N23-G26 PolarHBondContact O-N 2.94Å; N23-W28 HydrophobicContact CB-CB 3.79Å; N23-W28 HydrophobicContact CB-CG 4.29Å; N23-L197 HydrophobicContact CB-CD2 4.35Å |
| 24 | F | 94.1 | Very high | 94.3 | Very high | 179 Ų | 179 | 83.3 Ų | 83.3 | 79% | 0.785 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.9 | -39.3 | 173.4 | 177 | -100.3 | 0 | 0 | 0 | 111.8 | Y20 L21 G26 | Y20-F24 WeakPolarHBondContact O-CB 3.32Å; Y20-F24 PolarHBondContact O-N 3.16Å; L21-F24 PolarHBondContact O-N 2.94Å; F24-G26 PolarHBondContact O-N 2.72Å |
| 25 | L | 95.8 | Very high | 94.3 | Very high | 103 Ų | 103 | 81.4 Ų | 81.4 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -0.1 | 174.4 | -64.1 | 174.5 | 0 | 0 | 0 | 114 | L21 N23 L27 | L21-L25 HydrophobicContact CD1-CD1 4.38Å; L21-L25 HydrophobicContact CG-CD1 4.26Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 2.7Å; N23-L25 VanDerWaalsContact C-N 3.26Å; N23-L25 PolarHBondContact O-N 3.01Å; L25-L27 HydrophobicContact CB-CD1 4.27Å; L25-L27 HydrophobicContact CB-CG 4.21Å; L25-L27 PolarHBondContact O-N 3.3Å |
| 26 | G | 92.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 75.9 Ų | 75.9 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 9.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | L22 N23 F24 | L22-G26 PolarHBondContact O-N 3.24Å; N23-G26 PolarHBondContact O-N 2.94Å; F24-G26 PolarHBondContact O-N 2.72Å |
| 27 | L | 94.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 75.4 Ų | 75.4 | 41% | 0.414 | 38% | 0.382 | S | S | . | . | trans | -86.7 | -39.3 | -178.2 | -61.8 | 176.9 | 0 | 0 | 0 | 111.7 | L22 L25 G29 R30 I31 | L22-L27 HydrophobicContact CD2-CB 4.33Å; L22-L27 HydrophobicContact CD2-CD1 4.07Å; L22-L27 PolarHBondContact O-N 3.46Å; L25-L27 HydrophobicContact CB-CD1 4.27Å; L25-L27 HydrophobicContact CB-CG 4.21Å; L25-L27 PolarHBondContact O-N 3.3Å; L27-G29 PolarHBondContact O-N 2.97Å; L27-R30 PolarHBondContact O-N 3.16Å; L27-I31 PolarHBondContact O-N 2.92Å | ||
| 28 | W | 94.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 75.7 Ų | 75.7 | 17% | 0.167 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | -172.7 | -177.9 | -111.5 | 0 | 0 | 0 | 113.1 | I19 L22 N23 R30 I31 C32 L197 L198 | I19-W28 HydrophobicContact CD1-CH2 4.15Å; I19-W28 HydrophobicContact CD1-CZ2 4.28Å; I19-W28 HydrophobicContact CG1-CH2 4.17Å; I19-W28 HydrophobicContact CG1-CZ2 4.45Å; I19-W28 HydrophobicContact CG1-CZ3 4.28Å; I19-W28 HydrophobicContact CG2-CD2 3.65Å; I19-W28 VanDerWaalsContact CG2-CE2 3.42Å; I19-W28 HydrophobicContact CG2-CE3 4.14Å; I19-W28 HydrophobicContact CG2-CG 4.04Å; I19-W28 HydrophobicContact CG2-CH2 4.21Å; I19-W28 HydrophobicContact CG2-CZ2 3.74Å; I19-W28 HydrophobicContact CG2-CZ3 4.4Å; L22-W28 HydrophobicContact CB-CB 3.95Å; L22-W28 HydrophobicContact CB-CE3 4.47Å; L22-W28 HydrophobicContact CD1-CE3 4.15Å; L22-W28 PolarHBondContact O-N 3.31Å; N23-W28 HydrophobicContact CB-CB 3.79Å; N23-W28 HydrophobicContact CB-CG 4.29Å; W28-R30 PolarHBondContact O-N 3.46Å; W28-I31 HydrophobicContact CZ3-CG2 4.39Å; W28-I31 PolarHBondContact O-N 3.34Å; W28-C32 HydrophobicContact CZ2-CB 4.49Å; W28-C32 WeakPolarHBondContact O-CB 3.34Å; W28-C32 PolarHBondContact O-N 2.86Å; W28-L197 PolarHBondContact NE1-O 2.86Å; W28-L198 HydrophobicContact CZ2-CD2 4.21Å |
| 29 | G | 90.4 | Very high | 94.4 | Very high | 34 Ų | 34 | 75.9 Ų | 75.9 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.8 | -35.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L27 K33 | L27-G29 PolarHBondContact O-N 2.97Å; G29-K33 WeakPolarHBondContact O-CB 3.37Å; G29-K33 VanDerWaalsContact O-CG 3.3Å; G29-K33 WeakPolarHBondContact O-CG 3.44Å; G29-K33 PolarHBondContact O-N 3.14Å |
| 30 | R | 91.6 | Very high | 94.4 | Very high | 189 Ų | 189 | 75.7 Ų | 75.7 | 71% | 0.713 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -70.4 | -40.2 | 176.1 | -63.9 | -179.4 | -178 | 174.1 | 0.8 | 111.9 | L27 W28 K34 | L27-R30 PolarHBondContact O-N 3.16Å; W28-R30 PolarHBondContact O-N 3.46Å; R30-K34 WeakPolarHBondContact O-CG 3.44Å; R30-K34 PolarHBondContact O-N 2.68Å |
| 31 | I | 93.6 | Very high | 94.4 | Very high | 74 Ų | 74 | 74.2 Ų | 74.2 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.7 | -52.2 | 177.8 | -63.6 | 168.2 | 0 | 0 | 0 | 109.5 | L27 W28 K33 K34 C35 | L27-I31 PolarHBondContact O-N 2.92Å; W28-I31 HydrophobicContact CZ3-CG2 4.39Å; W28-I31 PolarHBondContact O-N 3.34Å; I31-K33 PolarHBondContact O-N 2.72Å; I31-K34 PolarHBondContact O-N 3.18Å; I31-K34 VanDerWaalsContact O-N 3.1Å; I31-C35 PolarHBondContact O-N 3.41Å; I31-C35 PolarHBondContact O-SG 2.89Å |
| 32 | C | 93.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 80.4 Ų | 80.4 | 9% | 0.088 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.7 | -50.3 | -179.7 | -168.8 | 0 | 0 | 0 | 0 | 110.7 | W28 K34 C35 F36 L197 | W28-C32 HydrophobicContact CZ2-CB 4.49Å; W28-C32 WeakPolarHBondContact O-CB 3.34Å; W28-C32 PolarHBondContact O-N 2.86Å; C32-K34 VanDerWaalsContact C-N 3.25Å; C32-K34 PolarHBondContact O-N 3.28Å; C32-K34 VanDerWaalsContact O-N 3.16Å; C32-C35 PolarHBondContact O-N 3.32Å; C32-F36 WeakPolarHBondContact O-CB 3.39Å; C32-F36 PolarHBondContact O-N 3.38Å; C32-L197 PolarHBondContact SG-O 2.73Å; C32-L197 VanDerWaalsContact SG-O 3.41Å |
| 33 | K | 93.2 | Very high | 94.1 | Very high | 83 Ų | 83 | 79.3 Ų | 79.3 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.7 | -29.6 | 177.7 | -76.2 | -173.4 | 175.7 | -164.3 | 0 | 114.7 | G29 I31 P37 N100 N102 | G29-K33 WeakPolarHBondContact O-CB 3.37Å; G29-K33 VanDerWaalsContact O-CG 3.3Å; G29-K33 WeakPolarHBondContact O-CG 3.44Å; G29-K33 PolarHBondContact O-N 3.14Å; I31-K33 PolarHBondContact O-N 2.72Å; K33-P37 WeakPolarHBondContact O-CD 3.36Å; K33-P37 WeakPolarHBondContact O-CG 3.4Å; K33-N100 PolarHBondContact O-ND2 3.21Å; K33-N100 PolarHBondContact O-OD1 2.95Å; K33-N102 PolarHBondContact O-ND2 3.19Å |
| 34 | K | 94.9 | Very high | 94 | Very high | 135 Ų | 135 | 76.8 Ų | 76.8 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -81.5 | -38.4 | 177 | -76.5 | -175.1 | 176.8 | -173.1 | 0 | 112.8 | R30 I31 C32 Y38 | R30-K34 WeakPolarHBondContact O-CG 3.44Å; R30-K34 PolarHBondContact O-N 2.68Å; I31-K34 PolarHBondContact O-N 3.18Å; I31-K34 VanDerWaalsContact O-N 3.1Å; C32-K34 VanDerWaalsContact C-N 3.25Å; C32-K34 PolarHBondContact O-N 3.28Å; C32-K34 VanDerWaalsContact O-N 3.16Å; K34-Y38 WeakPolarHBondContact O-CD2 3.27Å; K34-Y38 WeakPolarHBondContact O-CE2 3.28Å |
| 35 | C | 95.3 | Very high | 94 | Very high | 75 Ų | 75 | 71.8 Ų | 71.8 | 51% | 0.507 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -84.3 | -37.5 | -176.2 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | I31 C32 Y38 F39 | I31-C35 PolarHBondContact O-N 3.41Å; I31-C35 PolarHBondContact O-SG 2.89Å; C32-C35 PolarHBondContact O-N 3.32Å; C35-Y38 WeakPolarHBondContact O-CB 3.21Å; C35-Y38 PolarHBondContact O-N 3.26Å; C35-F39 PolarHBondContact O-N 2.87Å |
| 36 | F | 95 | Very high | 93.9 | Very high | 27 Ų | 27 | 70.1 Ų | 70.1 | 12% | 0.118 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.5 | -41.1 | -174.6 | -175.9 | -108.3 | 0 | 0 | 0 | 113.6 | C32 Y38 F39 L40 F103 F199 D200 | C32-F36 WeakPolarHBondContact O-CB 3.39Å; C32-F36 PolarHBondContact O-N 3.38Å; F36-Y38 VanDerWaalsContact C-N 3.27Å; F36-Y38 PolarHBondContact O-N 3.15Å; F36-F39 AromaticContact CD2-CD1 3.99Å; F36-F39 HydrophobicContact CD2-CD1 3.99Å; F36-F39 AromaticContact CE2-CD1 3.83Å; F36-F39 HydrophobicContact CE2-CD1 3.83Å; F36-F39 HydrophobicContact CE2-CE1 4.16Å; F36-F39 WeakPolarHBondContact O-CB 3.39Å; F36-F39 PolarHBondContact O-N 3.22Å; F36-F39 VanDerWaalsContact O-N 3.12Å; F36-L40 HydrophobicContact CE1-CB 4.38Å; F36-L40 HydrophobicContact CE1-CD1 4.48Å; F36-L40 HydrophobicContact CE1-CD2 4.07Å; F36-L40 HydrophobicContact CZ-CD1 4.18Å; F36-L40 WeakPolarHBondContact O-CB 3.48Å; F36-L40 PolarHBondContact O-N 3.34Å; F36-F103 AromaticContact CD1-CZ 3.93Å; F36-F103 HydrophobicContact CD1-CZ 3.93Å; F36-F103 HydrophobicContact CE1-CZ 4.16Å; F36-F199 HydrophobicContact CE2-CD1 4.43Å; F36-D200 HydrophobicContact CD1-CB 3.58Å; F36-D200 HydrophobicContact CD2-CB 4.22Å; F36-D200 HydrophobicContact CE1-CB 3.54Å; F36-D200 HydrophobicContact CE2-CB 4.2Å; F36-D200 HydrophobicContact CG-CB 3.93Å; F36-D200 HydrophobicContact CZ-CB 3.86Å |
| 37 | P | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.1 | -34.5 | 175.8 | -29.6 | 37.2 | 0 | 0 | 0 | 115.2 | K33 A41 N102 F103 F106 | K33-P37 WeakPolarHBondContact O-CD 3.36Å; K33-P37 WeakPolarHBondContact O-CG 3.4Å; P37-A41 VanDerWaalsContact O-CB 3.3Å; P37-A41 WeakPolarHBondContact O-CB 3.28Å; P37-A41 PolarHBondContact O-N 3.11Å; P37-N102 HydrophobicContact CG-CB 3.9Å; P37-F103 VanDerWaalsContact CA-CE1 3.49Å; P37-F103 HydrophobicContact CB-CD1 3.66Å; P37-F103 HydrophobicContact CB-CE1 3.57Å; P37-F103 HydrophobicContact CB-CG 4.43Å; P37-F103 HydrophobicContact CB-CZ 4.27Å; P37-F103 HydrophobicContact CG-CD1 3.93Å; P37-F103 HydrophobicContact CG-CE1 3.76Å; P37-F103 HydrophobicContact CG-CE2 4.35Å; P37-F103 HydrophobicContact CG-CG 4.29Å; P37-F103 HydrophobicContact CG-CZ 3.97Å; P37-F106 HydrophobicContact CB-CD2 3.92Å; P37-F106 HydrophobicContact CB-CE2 3.45Å; P37-F106 VanDerWaalsContact CB-CE2 3.45Å; P37-F106 HydrophobicContact CB-CZ 4.15Å |
| 38 | Y | 96.6 | Very high | 93.9 | Very high | 130 Ų | 130 | 64.5 Ų | 64.5 | 51% | 0.51 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72.6 | -38.8 | 177.5 | -64.9 | -91.4 | 0 | 0 | 0 | 112.2 | K34 C35 F36 K105 F106 | K34-Y38 WeakPolarHBondContact O-CD2 3.27Å; K34-Y38 WeakPolarHBondContact O-CE2 3.28Å; C35-Y38 WeakPolarHBondContact O-CB 3.21Å; C35-Y38 PolarHBondContact O-N 3.26Å; F36-Y38 VanDerWaalsContact C-N 3.27Å; F36-Y38 PolarHBondContact O-N 3.15Å; Y38-K105 PolarHBondContact OH-NZ 2.8Å; Y38-F106 HydrophobicContact CD1-CE1 4.39Å; Y38-F106 AromaticContact CD1-CZ 3.73Å; Y38-F106 HydrophobicContact CD1-CZ 3.73Å; Y38-F106 HydrophobicContact CD2-CZ 4.37Å; Y38-F106 HydrophobicContact CE1-CZ 4.02Å; Y38-F106 AromaticContact CG-CZ 3.94Å; Y38-F106 HydrophobicContact CG-CZ 3.94Å |
| 39 | F | 95.3 | Very high | 94 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 36% | 0.36 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -50.8 | 171.6 | 165.5 | -98.1 | 0 | 0 | 0 | 110.1 | C35 F36 A41 R42 F43 F199 W231 | C35-F39 PolarHBondContact O-N 2.87Å; F36-F39 AromaticContact CD2-CD1 3.99Å; F36-F39 HydrophobicContact CD2-CD1 3.99Å; F36-F39 AromaticContact CE2-CD1 3.83Å; F36-F39 HydrophobicContact CE2-CD1 3.83Å; F36-F39 HydrophobicContact CE2-CE1 4.16Å; F36-F39 WeakPolarHBondContact O-CB 3.39Å; F36-F39 PolarHBondContact O-N 3.22Å; F36-F39 VanDerWaalsContact O-N 3.12Å; F39-A41 VanDerWaalsContact C-N 3.32Å; F39-A41 PolarHBondContact O-N 2.85Å; F39-R42 PolarHBondContact O-N 2.93Å; F39-R42 VanDerWaalsContact O-N 3.09Å; F39-F43 HydrophobicContact CE1-CB 4.28Å; F39-F43 HydrophobicContact CZ-CB 4.22Å; F39-F43 HydrophobicContact CZ-CD2 4.42Å; F39-F43 HydrophobicContact CZ-CG 4.46Å; F39-F43 PolarHBondContact O-N 3.42Å; F39-F199 AromaticContact CE1-CD1 3.96Å; F39-F199 HydrophobicContact CE1-CD1 3.96Å; F39-F199 AromaticContact CE1-CE1 3.85Å; F39-F199 HydrophobicContact CE1-CE1 3.85Å; F39-F199 HydrophobicContact CZ-CD1 4.31Å; F39-F199 AromaticContact CZ-CE1 3.73Å; F39-F199 HydrophobicContact CZ-CE1 3.73Å; F39-W231 HydrophobicContact CZ-CH2 4.08Å; F39-W231 HydrophobicContact CZ-CZ3 4.45Å |
| 40 | L | 94.8 | Very high | 94.2 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | -177.7 | -166.5 | 67.2 | 0 | 0 | 0 | 111.4 | F36 R42 F43 T44 F103 | F36-L40 HydrophobicContact CE1-CB 4.38Å; F36-L40 HydrophobicContact CE1-CD1 4.48Å; F36-L40 HydrophobicContact CE1-CD2 4.07Å; F36-L40 HydrophobicContact CZ-CD1 4.18Å; F36-L40 WeakPolarHBondContact O-CB 3.48Å; F36-L40 PolarHBondContact O-N 3.34Å; L40-R42 PolarHBondContact O-N 3.46Å; L40-R42 VanDerWaalsContact O-N 3.17Å; L40-F43 HydrophobicContact CD1-CD1 4.02Å; L40-F43 PolarHBondContact O-N 3.33Å; L40-F43 VanDerWaalsContact O-N 3.15Å; L40-T44 VanDerWaalsContact O-CB 3.25Å; L40-T44 WeakPolarHBondContact O-CB 3.25Å; L40-T44 PolarHBondContact O-N 3.03Å; L40-T44 PolarHBondContact O-OG1 3.38Å; L40-F103 HydrophobicContact CB-CE1 4.28Å; L40-F103 HydrophobicContact CD2-CE1 3.59Å; L40-F103 HydrophobicContact CD2-CZ 3.6Å |
| 41 | A | 94.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.8 | -34.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P37 F39 T81 F106 | P37-A41 VanDerWaalsContact O-CB 3.3Å; P37-A41 WeakPolarHBondContact O-CB 3.28Å; P37-A41 PolarHBondContact O-N 3.11Å; F39-A41 VanDerWaalsContact C-N 3.32Å; F39-A41 PolarHBondContact O-N 2.85Å; A41-T81 HydrophobicContact CB-CG2 4.02Å; A41-F106 HydrophobicContact CB-CD1 3.64Å; A41-F106 HydrophobicContact CB-CE1 3.55Å; A41-F106 HydrophobicContact CB-CZ 4.49Å |
| 42 | R | 93.5 | Very high | 94.6 | Very high | 210 Ų | 210 | 57.9 Ų | 57.9 | 79% | 0.792 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -79.6 | -46.6 | 175 | -65.4 | -178.1 | 179 | 179.8 | -0.5 | 111.4 | F39 L40 T44 V45 | F39-R42 PolarHBondContact O-N 2.93Å; F39-R42 VanDerWaalsContact O-N 3.09Å; L40-R42 PolarHBondContact O-N 3.46Å; L40-R42 VanDerWaalsContact O-N 3.17Å; R42-T44 VanDerWaalsContact C-N 3.3Å; R42-T44 PolarHBondContact O-N 3.22Å; R42-V45 PolarHBondContact O-N 3.06Å |
| 43 | F | 92.2 | Very high | 94.7 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58 | -42.5 | 179.3 | 175.4 | -97.8 | 0 | 0 | 0 | 112.1 | F39 L40 V45 M46 Y47 L145 W231 | F39-F43 HydrophobicContact CE1-CB 4.28Å; F39-F43 HydrophobicContact CZ-CB 4.22Å; F39-F43 HydrophobicContact CZ-CD2 4.42Å; F39-F43 HydrophobicContact CZ-CG 4.46Å; F39-F43 PolarHBondContact O-N 3.42Å; L40-F43 HydrophobicContact CD1-CD1 4.02Å; L40-F43 PolarHBondContact O-N 3.33Å; L40-F43 VanDerWaalsContact O-N 3.15Å; F43-V45 VanDerWaalsContact C-N 3.26Å; F43-V45 PolarHBondContact O-N 3.04Å; F43-M46 HydrophobicContact CD2-CE 3.64Å; F43-M46 HydrophobicContact CE2-CE 3.53Å; F43-M46 HydrophobicContact CZ-CE 4.41Å; F43-M46 PolarHBondContact O-N 2.83Å; F43-Y47 AromaticContact CE1-CD2 3.93Å; F43-Y47 HydrophobicContact CE1-CD2 3.93Å; F43-Y47 HydrophobicContact CE1-CG 4.07Å; F43-Y47 AromaticContact CZ-CD2 3.84Å; F43-Y47 HydrophobicContact CZ-CD2 3.84Å; F43-Y47 HydrophobicContact CZ-CG 4.36Å; F43-Y47 WeakPolarHBondContact O-CB 3.44Å; F43-Y47 PolarHBondContact O-N 3.29Å; F43-L145 HydrophobicContact CE1-CD1 4.31Å; F43-W231 HydrophobicContact CE2-CE3 4.39Å; F43-W231 HydrophobicContact CE2-CZ3 4.47Å |
| 44 | T | 92.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 60.1 Ų | 60.1 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -29.3 | -179.2 | -70 | 0 | 0 | 0 | 0 | 113.3 | L40 R42 N48 A83 | L40-T44 VanDerWaalsContact O-CB 3.25Å; L40-T44 WeakPolarHBondContact O-CB 3.25Å; L40-T44 PolarHBondContact O-N 3.03Å; L40-T44 PolarHBondContact O-OG1 3.38Å; R42-T44 VanDerWaalsContact C-N 3.3Å; R42-T44 PolarHBondContact O-N 3.22Å; T44-N48 WeakPolarHBondContact CG2-ND2 3.4Å; T44-N48 WeakPolarHBondContact O-CB 3.35Å; T44-N48 PolarHBondContact O-N 3.05Å; T44-N48 PolarHBondContact O-ND2 3.4Å; T44-N48 VanDerWaalsContact O-ND2 3.1Å; T44-A83 HydrophobicContact CG2-CB 3.35Å |
| 45 | V | 92.6 | Very high | 95.1 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 44% | 0.442 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.1 | -57.6 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 109.4 | R42 F43 Y47 N48 E49 | R42-V45 PolarHBondContact O-N 3.06Å; F43-V45 VanDerWaalsContact C-N 3.26Å; F43-V45 PolarHBondContact O-N 3.04Å; V45-Y47 PolarHBondContact O-N 3.13Å; V45-N48 PolarHBondContact O-N 3.43Å; V45-E49 WeakPolarHBondContact O-CG 3.35Å; V45-E49 PolarHBondContact O-N 3.37Å |
| 46 | M | 93.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 57.9 Ų | 57.9 | 34% | 0.335 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 177.3 | 177.2 | -155 | 72 | 0 | 0 | 111.8 | F43 N48 E49 Q50 | F43-M46 HydrophobicContact CD2-CE 3.64Å; F43-M46 HydrophobicContact CE2-CE 3.53Å; F43-M46 HydrophobicContact CZ-CE 4.41Å; F43-M46 PolarHBondContact O-N 2.83Å; M46-N48 VanDerWaalsContact C-N 3.32Å; M46-N48 PolarHBondContact O-N 3.34Å; M46-E49 PolarHBondContact O-N 3.36Å; M46-Q50 WeakPolarHBondContact O-CG 3.42Å; M46-Q50 PolarHBondContact O-N 3.11Å |
| 47 | Y | 94.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.9 | -44.6 | -179.9 | -177.9 | -92.5 | 0 | 0 | 0 | 111.4 | F43 V45 Q50 M51 L145 M173 L229 H237 | F43-Y47 AromaticContact CE1-CD2 3.93Å; F43-Y47 HydrophobicContact CE1-CD2 3.93Å; F43-Y47 HydrophobicContact CE1-CG 4.07Å; F43-Y47 AromaticContact CZ-CD2 3.84Å; F43-Y47 HydrophobicContact CZ-CD2 3.84Å; F43-Y47 HydrophobicContact CZ-CG 4.36Å; F43-Y47 WeakPolarHBondContact O-CB 3.44Å; F43-Y47 PolarHBondContact O-N 3.29Å; V45-Y47 PolarHBondContact O-N 3.13Å; Y47-Q50 PolarHBondContact O-N 3.36Å; Y47-M51 HydrophobicContact CD1-CB 4.42Å; Y47-M51 HydrophobicContact CD1-CG 4.25Å; Y47-M51 HydrophobicContact CD2-CG 4.23Å; Y47-M51 HydrophobicContact CE1-CB 4.14Å; Y47-M51 HydrophobicContact CE1-CG 3.88Å; Y47-M51 HydrophobicContact CE2-CG 3.87Å; Y47-M51 HydrophobicContact CG-CG 4.41Å; Y47-M51 VanDerWaalsContact O-CB 3.22Å; Y47-M51 WeakPolarHBondContact O-CB 3.47Å; Y47-M51 WeakPolarHBondContact O-CG 3.25Å; Y47-M51 PolarHBondContact O-N 3.1Å; Y47-L145 HydrophobicContact CD1-CD1 4.37Å; Y47-L145 HydrophobicContact CD2-CD1 4.29Å; Y47-L145 HydrophobicContact CE1-CD1 3.96Å; Y47-L145 HydrophobicContact CE2-CD1 3.88Å; Y47-L145 HydrophobicContact CE2-CD2 4.42Å; Y47-M173 HydrophobicContact CE1-SD 4.31Å; Y47-M173 PolarHBondContact OH-SD 3.16Å; Y47-M173 VanDerWaalsContact OH-SD 3.38Å; Y47-L229 HydrophobicContact CD2-CD1 4.18Å; Y47-L229 HydrophobicContact CD2-CD2 3.67Å; Y47-L229 HydrophobicContact CE2-CD1 3.94Å; Y47-L229 HydrophobicContact CE2-CD2 4.01Å; Y47-H237 AromaticContact CE2-NE2 3.77Å; Y47-H237 AromaticContact CZ-NE2 3.89Å; Y47-H237 PolarHBondContact OH-NE2 2.96Å; Y47-H237 VanDerWaalsContact OH-NE2 3.1Å |
| 48 | N | 94.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.011 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -35.7 | 178.9 | -81.6 | -28.4 | 0 | 0 | 0 | 113 | T44 V45 M46 A52 K55 A83 R86 | T44-N48 WeakPolarHBondContact CG2-ND2 3.4Å; T44-N48 WeakPolarHBondContact O-CB 3.35Å; T44-N48 PolarHBondContact O-N 3.05Å; T44-N48 PolarHBondContact O-ND2 3.4Å; T44-N48 VanDerWaalsContact O-ND2 3.1Å; V45-N48 PolarHBondContact O-N 3.43Å; M46-N48 VanDerWaalsContact C-N 3.32Å; M46-N48 PolarHBondContact O-N 3.34Å; N48-A52 WeakPolarHBondContact O-CA 3.45Å; N48-A52 VanDerWaalsContact O-CB 3.23Å; N48-A52 WeakPolarHBondContact O-CB 3.37Å; N48-A52 PolarHBondContact O-N 2.77Å; N48-K55 WeakPolarHBondContact OD1-CE 3.4Å; N48-K55 PolarHBondContact OD1-NZ 2.84Å; N48-A83 PolarHBondContact ND2-O 2.83Å; N48-A83 PolarHBondContact OD1-O 3Å; N48-R86 PolarHBondContact ND2-NH2 3.26Å |
| 49 | E | 94.8 | Very high | 95.5 | Very high | 129 Ų | 129 | 55.3 Ų | 55.3 | 60% | 0.603 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.1 | -49.1 | 174.4 | -73.7 | 171.2 | 179.6 | 0 | 0 | 110.6 | V45 M46 M51 A52 | V45-E49 WeakPolarHBondContact O-CG 3.35Å; V45-E49 PolarHBondContact O-N 3.37Å; M46-E49 PolarHBondContact O-N 3.36Å; E49-M51 PolarHBondContact O-N 3.23Å; E49-A52 WeakPolarHBondContact O-CB 3.49Å; E49-A52 PolarHBondContact O-N 2.92Å |
| 50 | Q | 95.2 | Very high | 95.6 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 27% | 0.271 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 179.8 | -70.6 | 177.3 | -27.5 | 0 | 0 | 112.4 | M46 Y47 P228 L229 S230 | M46-Q50 WeakPolarHBondContact O-CG 3.42Å; M46-Q50 PolarHBondContact O-N 3.11Å; Y47-Q50 PolarHBondContact O-N 3.36Å; Q50-P228 HydrophobicContact CB-CG 4.46Å; Q50-P228 VanDerWaalsContact O-CG 3.28Å; Q50-P228 WeakPolarHBondContact O-CG 3.47Å; Q50-L229 HydrophobicContact CB-CD2 4.11Å; Q50-S230 PolarHBondContact NE2-OG 2.83Å |
| 51 | M | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -94.7 | 5 | -178.2 | -64.8 | -65.5 | -73.5 | 0 | 0 | 113.9 | Y47 E49 S53 K54 K55 M173 I225 A227 P228 L229 | Y47-M51 HydrophobicContact CD1-CB 4.42Å; Y47-M51 HydrophobicContact CD1-CG 4.25Å; Y47-M51 HydrophobicContact CD2-CG 4.23Å; Y47-M51 HydrophobicContact CE1-CB 4.14Å; Y47-M51 HydrophobicContact CE1-CG 3.88Å; Y47-M51 HydrophobicContact CE2-CG 3.87Å; Y47-M51 HydrophobicContact CG-CG 4.41Å; Y47-M51 VanDerWaalsContact O-CB 3.22Å; Y47-M51 WeakPolarHBondContact O-CB 3.47Å; Y47-M51 WeakPolarHBondContact O-CG 3.25Å; Y47-M51 PolarHBondContact O-N 3.1Å; E49-M51 PolarHBondContact O-N 3.23Å; M51-S53 VanDerWaalsContact C-N 3.33Å; M51-S53 PolarHBondContact O-N 2.78Å; M51-K54 HydrophobicContact CE-CB 4.1Å; M51-K54 PolarHBondContact O-N 2.86Å; M51-K55 HydrophobicContact CB-CG 4.38Å; M51-K55 PolarHBondContact O-N 3.23Å; M51-M173 HydrophobicContact CE-CE 3.89Å; M51-M173 HydrophobicContact CE-CG 4.35Å; M51-M173 HydrophobicContact CE-SD 3.52Å; M51-M173 VanDerWaalsContact CE-SD 3.52Å; M51-I225 HydrophobicContact CE-CD1 4.05Å; M51-A227 HydrophobicContact CE-CB 4.3Å; M51-A227 HydrophobicContact SD-CB 3.74Å; M51-P228 HydrophobicContact SD-CG 4.4Å; M51-L229 HydrophobicContact CG-CD2 4.32Å |
| 52 | A | 96.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 13% | 0.132 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.2 | -47.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N48 E49 K54 K55 R56 F87 | N48-A52 WeakPolarHBondContact O-CA 3.45Å; N48-A52 VanDerWaalsContact O-CB 3.23Å; N48-A52 WeakPolarHBondContact O-CB 3.37Å; N48-A52 PolarHBondContact O-N 2.77Å; E49-A52 WeakPolarHBondContact O-CB 3.49Å; E49-A52 PolarHBondContact O-N 2.92Å; A52-K54 PolarHBondContact O-N 2.85Å; A52-K55 PolarHBondContact O-N 3.15Å; A52-R56 WeakPolarHBondContact O-CG 3.44Å; A52-R56 PolarHBondContact O-N 3.22Å; A52-F87 HydrophobicContact CB-CE1 4.41Å |
| 53 | S | 96.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 47.3 Ų | 47.3 | 57% | 0.566 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.5 | -46.9 | 178.8 | -175 | 0 | 0 | 0 | 0 | 111.3 | M51 K55 R56 E57 | M51-S53 VanDerWaalsContact C-N 3.33Å; M51-S53 PolarHBondContact O-N 2.78Å; S53-K55 PolarHBondContact O-N 2.76Å; S53-R56 PolarHBondContact O-N 3.28Å; S53-E57 PolarHBondContact O-N 2.89Å |
| 54 | K | 97.2 | Very high | 96.1 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 27% | 0.265 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -34.1 | -179.7 | -69.6 | -71.2 | 159.6 | -159.7 | 0 | 113 | M51 A52 E57 L58 M173 I225 Y239 | M51-K54 HydrophobicContact CE-CB 4.1Å; M51-K54 PolarHBondContact O-N 2.86Å; A52-K54 PolarHBondContact O-N 2.85Å; K54-E57 IonicContact NZ-OE2 3.95Å; K54-E57 PolarHBondContact NZ-OE2 3.26Å; K54-L58 WeakPolarHBondContact O-CB 3.36Å; K54-L58 PolarHBondContact O-N 2.8Å; K54-M173 HydrophobicContact CB-CE 4.18Å; K54-I225 HydrophobicContact CD-CD1 4.22Å; K54-I225 HydrophobicContact CG-CD1 4.24Å; K54-Y239 HydrophobicContact CD-CE1 4.25Å; K54-Y239 HydrophobicContact CD-CE2 4.01Å; K54-Y239 PolarHBondContact NZ-OH 3.14Å; K54-Y239 VanDerWaalsContact NZ-OH 3.07Å |
| 55 | K | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 173.3 | -72.4 | -167.6 | 174.1 | -162.5 | 0 | 112.4 | N48 M51 A52 S53 E57 L58 F59 N84 F87 M173 | N48-K55 WeakPolarHBondContact OD1-CE 3.4Å; N48-K55 PolarHBondContact OD1-NZ 2.84Å; M51-K55 HydrophobicContact CB-CG 4.38Å; M51-K55 PolarHBondContact O-N 3.23Å; A52-K55 PolarHBondContact O-N 3.15Å; S53-K55 PolarHBondContact O-N 2.76Å; K55-E57 VanDerWaalsContact C-N 3.34Å; K55-L58 PolarHBondContact O-N 2.95Å; K55-F59 HydrophobicContact CB-CD2 4.13Å; K55-F59 HydrophobicContact CB-CE2 4.11Å; K55-F59 HydrophobicContact CD-CE2 4.37Å; K55-F59 HydrophobicContact CG-CE2 4.21Å; K55-F59 WeakPolarHBondContact O-CB 3.41Å; K55-F59 WeakPolarHBondContact O-CD2 3.37Å; K55-F59 WeakPolarHBondContact O-CG 3.47Å; K55-F59 PolarHBondContact O-N 2.96Å; K55-N84 WeakPolarHBondContact CE-OD1 3.34Å; K55-N84 PolarHBondContact NZ-OD1 3.39Å; K55-F87 HydrophobicContact CB-CD1 3.88Å; K55-F87 HydrophobicContact CB-CD2 3.96Å; K55-F87 HydrophobicContact CB-CE1 3.88Å; K55-F87 HydrophobicContact CB-CE2 3.98Å; K55-F87 HydrophobicContact CB-CG 3.92Å; K55-F87 HydrophobicContact CB-CZ 3.94Å; K55-F87 HydrophobicContact CD-CD2 3.82Å; K55-F87 HydrophobicContact CD-CE2 3.43Å; K55-F87 VanDerWaalsContact CD-CE2 3.43Å; K55-F87 HydrophobicContact CD-CZ 3.92Å; K55-F87 HydrophobicContact CG-CE2 4.33Å; K55-M173 HydrophobicContact CG-CE 3.84Å; K55-M173 HydrophobicContact CG-SD 4.05Å |
| 56 | R | 97.9 | Very high | 96.4 | Very high | 163 Ų | 163 | 50.6 Ų | 50.6 | 62% | 0.615 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 173.3 | -70.5 | -177.5 | -156.7 | 122 | -0.1 | 111.7 | A52 S53 G60 F87 | A52-R56 WeakPolarHBondContact O-CG 3.44Å; A52-R56 PolarHBondContact O-N 3.22Å; S53-R56 PolarHBondContact O-N 3.28Å; R56-G60 WeakPolarHBondContact O-CA 3.42Å; R56-G60 PolarHBondContact O-N 3.05Å; R56-F87 HydrophobicContact CG-CD1 3.9Å; R56-F87 HydrophobicContact CG-CE1 4.21Å |
| 57 | E | 97.6 | Very high | 96.2 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 174.4 | -176.4 | -175.9 | 168.2 | 0 | 0 | 111.2 | S53 K54 K55 F59 Y239 | S53-E57 PolarHBondContact O-N 2.89Å; K54-E57 IonicContact NZ-OE2 3.95Å; K54-E57 PolarHBondContact NZ-OE2 3.26Å; K55-E57 VanDerWaalsContact C-N 3.34Å; E57-F59 PolarHBondContact O-N 3.14Å; E57-Y239 PolarHBondContact OE1-OH 3.45Å; E57-Y239 PolarHBondContact OE2-OH 3.49Å |
| 58 | L | 98.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | -178.9 | -179.6 | 58.8 | 0 | 0 | 0 | 112 | K54 K55 Y171 M173 Y239 G240 | K54-L58 WeakPolarHBondContact O-CB 3.36Å; K54-L58 PolarHBondContact O-N 2.8Å; K55-L58 PolarHBondContact O-N 2.95Å; L58-Y171 HydrophobicContact CD1-CD1 3.72Å; L58-Y171 HydrophobicContact CD1-CE1 4.39Å; L58-Y171 HydrophobicContact CG-CD1 4.03Å; L58-Y171 WeakPolarHBondContact O-CD1 3.34Å; L58-Y171 WeakPolarHBondContact O-CE1 3.43Å; L58-M173 HydrophobicContact CD2-CB 4.02Å; L58-M173 HydrophobicContact CD2-CE 3.83Å; L58-Y239 HydrophobicContact CB-CD2 4.08Å; L58-Y239 HydrophobicContact CD1-CD2 4.07Å; L58-Y239 HydrophobicContact CD2-CD2 4.46Å; L58-Y239 HydrophobicContact CG-CD2 4.43Å; L58-G240 WeakPolarHBondContact CD1-O 3.41Å |
| 59 | F | 98.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -91.6 | -3.2 | -172.8 | -60.5 | -49.7 | 0 | 0 | 0 | 113.8 | K55 E57 N61 L62 N84 F87 Y88 V142 T144 Y171 | K55-F59 HydrophobicContact CB-CD2 4.13Å; K55-F59 HydrophobicContact CB-CE2 4.11Å; K55-F59 HydrophobicContact CD-CE2 4.37Å; K55-F59 HydrophobicContact CG-CE2 4.21Å; K55-F59 WeakPolarHBondContact O-CB 3.41Å; K55-F59 WeakPolarHBondContact O-CD2 3.37Å; K55-F59 WeakPolarHBondContact O-CG 3.47Å; K55-F59 PolarHBondContact O-N 2.96Å; E57-F59 PolarHBondContact O-N 3.14Å; F59-N61 PolarHBondContact O-N 2.94Å; F59-N61 VanDerWaalsContact O-N 3.15Å; F59-L62 HydrophobicContact CB-CD1 3.68Å; F59-L62 HydrophobicContact CB-CG 4.15Å; F59-L62 HydrophobicContact CD1-CD1 3.85Å; F59-L62 HydrophobicContact CD1-CD2 4.48Å; F59-L62 HydrophobicContact CD1-CG 4.23Å; F59-L62 HydrophobicContact CG-CD1 4.07Å; F59-L62 WeakPolarHBondContact O-CB 3.29Å; F59-L62 WeakPolarHBondContact O-CG 3.25Å; F59-L62 PolarHBondContact O-N 3.39Å; F59-N84 HydrophobicContact CE2-CB 4.18Å; F59-N84 HydrophobicContact CZ-CB 4.3Å; F59-F87 HydrophobicContact CB-CB 4.36Å; F59-F87 HydrophobicContact CD2-CB 3.56Å; F59-F87 HydrophobicContact CD2-CG 4.26Å; F59-F87 HydrophobicContact CE2-CB 4.32Å; F59-F87 HydrophobicContact CG-CB 4.37Å; F59-Y88 HydrophobicContact CD1-CD1 4.46Å; F59-Y88 HydrophobicContact CD1-CE1 4Å; F59-Y88 HydrophobicContact CD2-CE1 4.29Å; F59-Y88 AromaticContact CE1-CE1 3.99Å; F59-Y88 HydrophobicContact CE1-CE1 3.99Å; F59-Y88 HydrophobicContact CE2-CE1 4.26Å; F59-Y88 HydrophobicContact CG-CD1 4.3Å; F59-Y88 HydrophobicContact CG-CE1 4.16Å; F59-Y88 HydrophobicContact CZ-CE1 4.11Å; F59-V142 HydrophobicContact CE1-CG1 3.74Å; F59-V142 HydrophobicContact CE1-CG2 4.21Å; F59-V142 HydrophobicContact CZ-CG1 3.92Å; F59-T144 HydrophobicContact CZ-CG2 4.08Å; F59-Y171 HydrophobicContact CD1-CD1 4.34Å |
| 60 | G | 97.2 | Very high | 94.7 | Very high | 66 Ų | 66 | 54 Ų | 54 | 68% | 0.68 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R56 | R56-G60 WeakPolarHBondContact O-CA 3.42Å; R56-G60 PolarHBondContact O-N 3.05Å |
| 61 | N | 96.5 | Very high | 94.4 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 12 | -179.4 | 82.2 | -43.7 | 0 | 0 | 0 | 113.8 | F59 Q63 E64 Y171 | F59-N61 PolarHBondContact O-N 2.94Å; F59-N61 VanDerWaalsContact O-N 3.15Å; N61-Q63 PolarHBondContact O-N 2.92Å; N61-E64 HydrophobicContact CB-CG 4.28Å; N61-E64 PolarHBondContact ND2-OE2 3.03Å; N61-E64 WeakPolarHBondContact O-CB 3.5Å; N61-E64 PolarHBondContact O-N 3.04Å; N61-E64 VanDerWaalsContact O-N 3.09Å; N61-Y171 PolarHBondContact ND2-OH 3.38Å; N61-Y171 WeakPolarHBondContact OD1-CE1 3.44Å; N61-Y171 PolarHBondContact OD1-OH 2.86Å |
| 62 | L | 97.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -53 | -40.1 | -179.9 | -84 | 175.2 | 0 | 0 | 0 | 113.1 | F59 E64 F65 L72 L74 Y88 P89 V140 Y171 | F59-L62 HydrophobicContact CB-CD1 3.68Å; F59-L62 HydrophobicContact CB-CG 4.15Å; F59-L62 HydrophobicContact CD1-CD1 3.85Å; F59-L62 HydrophobicContact CD1-CD2 4.48Å; F59-L62 HydrophobicContact CD1-CG 4.23Å; F59-L62 HydrophobicContact CG-CD1 4.07Å; F59-L62 WeakPolarHBondContact O-CB 3.29Å; F59-L62 WeakPolarHBondContact O-CG 3.25Å; F59-L62 PolarHBondContact O-N 3.39Å; L62-E64 PolarHBondContact O-N 2.94Å; L62-F65 PolarHBondContact O-N 3.45Å; L62-F65 VanDerWaalsContact O-N 3.14Å; L62-L72 HydrophobicContact CB-CD2 3.9Å; L62-L72 WeakPolarHBondContact O-CD1 3.25Å; L62-L74 HydrophobicContact CD1-CD1 4.28Å; L62-L74 HydrophobicContact CD2-CD1 4.4Å; L62-Y88 HydrophobicContact CD1-CD1 3.54Å; L62-Y88 HydrophobicContact CD1-CE1 4.05Å; L62-Y88 HydrophobicContact CD1-CG 4.39Å; L62-P89 HydrophobicContact CB-CG 4.29Å; L62-V140 HydrophobicContact CD2-CB 4.32Å; L62-V140 HydrophobicContact CD2-CG1 3.64Å; L62-V140 HydrophobicContact CD2-CG2 4.05Å; L62-Y171 HydrophobicContact CD2-CD1 4.41Å; L62-Y171 HydrophobicContact CD2-CD2 3.79Å; L62-Y171 HydrophobicContact CD2-CE1 4.23Å; L62-Y171 HydrophobicContact CD2-CE2 3.56Å; L62-Y171 HydrophobicContact CD2-CG 4.19Å |
| 63 | Q | 95.6 | Very high | 94.5 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 42% | 0.416 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -66.5 | -22.3 | -176.2 | -169.2 | 60.6 | 42.4 | 0 | 0 | 113 | N61 F65 A66 G70 | N61-Q63 PolarHBondContact O-N 2.92Å; Q63-F65 PolarHBondContact O-N 3.01Å; Q63-A66 WeakPolarHBondContact O-CB 3.45Å; Q63-A66 PolarHBondContact O-N 2.73Å; Q63-A66 VanDerWaalsContact O-N 3.15Å; Q63-G70 PolarHBondContact NE2-O 2.78Å |
| 64 | E | 96.2 | Very high | 94.6 | Very high | 145 Ų | 145 | 52.3 Ų | 52.3 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -63.8 | -22.6 | 175.7 | -61.6 | 175.4 | -175.9 | 0 | 0 | 112.1 | N61 L62 | N61-E64 HydrophobicContact CB-CG 4.28Å; N61-E64 PolarHBondContact ND2-OE2 3.03Å; N61-E64 WeakPolarHBondContact O-CB 3.5Å; N61-E64 PolarHBondContact O-N 3.04Å; N61-E64 VanDerWaalsContact O-N 3.09Å; L62-E64 PolarHBondContact O-N 2.94Å |
| 65 | F | 97.1 | Very high | 94.7 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -95.1 | 6.8 | 178.9 | -64.1 | -77 | 0 | 0 | 0 | 113.5 | L62 Q63 G67 D139 V140 R165 A169 Y171 Y241 V243 | L62-F65 PolarHBondContact O-N 3.45Å; L62-F65 VanDerWaalsContact O-N 3.14Å; Q63-F65 PolarHBondContact O-N 3.01Å; F65-G67 PolarHBondContact O-N 2.71Å; F65-D139 WeakPolarHBondContact O-CB 3.49Å; F65-V140 HydrophobicContact CB-CG2 3.83Å; F65-R165 PolarHBondContact O-NH2 3.1Å; F65-A169 HydrophobicContact CB-CB 4.35Å; F65-A169 HydrophobicContact CD1-CB 3.54Å; F65-A169 HydrophobicContact CD2-CB 3.74Å; F65-A169 HydrophobicContact CE1-CB 3.63Å; F65-A169 HydrophobicContact CE2-CB 3.83Å; F65-A169 HydrophobicContact CG-CB 3.59Å; F65-A169 HydrophobicContact CZ-CB 3.77Å; F65-Y171 HydrophobicContact CD2-CE2 4.03Å; F65-Y171 VanDerWaalsContact CD2-OH 3.26Å; F65-Y171 WeakPolarHBondContact CD2-OH 3.22Å; F65-Y171 HydrophobicContact CE2-CE2 4.17Å; F65-Y171 AromaticContact CE2-CZ 3.96Å; F65-Y171 WeakPolarHBondContact CE2-OH 3.41Å; F65-Y241 HydrophobicContact CE2-CD2 4.5Å; F65-Y241 HydrophobicContact CE2-CE2 4.41Å; F65-Y241 HydrophobicContact CZ-CD2 4.14Å; F65-Y241 AromaticContact CZ-CE2 3.85Å; F65-Y241 HydrophobicContact CZ-CE2 3.85Å; F65-V243 HydrophobicContact CE1-CG2 3.88Å; F65-V243 HydrophobicContact CZ-CG2 4.12Å |
| 66 | A | 95.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | trans | -58.9 | 131 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q63 L72 | Q63-A66 WeakPolarHBondContact O-CB 3.45Å; Q63-A66 PolarHBondContact O-N 2.73Å; Q63-A66 VanDerWaalsContact O-N 3.15Å; A66-L72 HydrophobicContact CB-CB 4.37Å; A66-L72 HydrophobicContact CB-CD1 4.22Å | ||
| 67 | G | 89.8 | Confident | 94.7 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | trans | -69.8 | -176.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F65 S69 G70 D139 | F65-G67 PolarHBondContact O-N 2.71Å; G67-S69 PolarHBondContact O-N 2.76Å; G67-G70 PolarHBondContact O-N 3.12Å; G67-D139 VanDerWaalsContact CA-OD1 3.28Å; G67-D139 WeakPolarHBondContact CA-OD1 3.3Å; G67-D139 VanDerWaalsContact N-CG 3.31Å; G67-D139 PolarHBondContact N-OD1 2.82Å; G67-D139 PolarHBondContact N-OD2 3.16Å | ||
| 68 | P | 83.5 | Confident | 94.7 | Very high | 140 Ų | 140 | 38.1 Ų | 38.1 | 91% | 0.909 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.3 | -176.1 | -26.7 | 34.9 | 0 | 0 | 0 | 115.4 | G70 | P68-G70 PolarHBondContact O-N 2.94Š|
| 69 | S | 82.9 | Confident | 94.7 | Very high | 79 Ų | 79 | 38 Ų | 38 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.7 | 175.7 | 76.9 | 0 | 0 | 0 | 0 | 114.1 | G67 K71 | G67-S69 PolarHBondContact O-N 2.76Å; S69-K71 PolarHBondContact O-N 3.44Å; S69-K71 PolarHBondContact OG-N 3.04Å; S69-K71 PolarHBondContact OG-O 3.41Å |
| 70 | G | 84.4 | Confident | 94.6 | Very high | 47 Ų | 47 | 38 Ų | 38 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 71.8 | -15.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q63 G67 P68 | Q63-G70 PolarHBondContact NE2-O 2.78Å; G67-G70 PolarHBondContact O-N 3.12Å; P68-G70 PolarHBondContact O-N 2.94Å |
| 71 | K | 89.9 | Confident | 94.5 | Very high | 111 Ų | 111 | 35.6 Ų | 35.6 | 48% | 0.483 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -98.8 | 114 | 177 | -70.1 | -175 | 179.7 | -179.7 | 0 | 110.6 | S69 S73 R93 | S69-K71 PolarHBondContact O-N 3.44Å; S69-K71 PolarHBondContact OG-N 3.04Å; S69-K71 PolarHBondContact OG-O 3.41Å; K71-S73 PolarHBondContact O-N 3.03Å; K71-R93 PolarHBondContact O-NH1 3.04Å |
| 72 | L | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -62 | 120.6 | -179.2 | -172.5 | 72.2 | 0 | 0 | 0 | 111.7 | L62 A66 P89 C92 R93 D139 V140 | L62-L72 HydrophobicContact CB-CD2 3.9Å; L62-L72 WeakPolarHBondContact O-CD1 3.25Å; A66-L72 HydrophobicContact CB-CB 4.37Å; A66-L72 HydrophobicContact CB-CD1 4.22Å; L72-P89 HydrophobicContact CD2-CG 3.84Å; L72-C92 HydrophobicContact CB-CB 3.97Å; L72-C92 HydrophobicContact CD2-CB 4.16Å; L72-C92 HydrophobicContact CG-CB 4.4Å; L72-C92 CarbonylContact O-C 3.4Å; L72-C92 WeakPolarHBondContact O-CA 3.22Å; L72-R93 PolarHBondContact O-N 3.32Å; L72-D139 WeakPolarHBondContact CA-OD2 3.46Å; L72-D139 HydrophobicContact CD1-CB 3.79Å; L72-V140 HydrophobicContact CD1-CG2 3.89Å | ||
| 73 | S | 98 | Very high | 94.5 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.4 | 172.9 | -142.9 | 0 | 0 | 0 | 0 | 110.4 | K71 R93 D139 V140 | K71-S73 PolarHBondContact O-N 3.03Å; S73-R93 VanDerWaalsContact CB-NH2 3.28Å; S73-R93 PolarHBondContact OG-NH2 3.09Å; S73-D139 PolarHBondContact N-OD2 3.19Å; S73-D139 WeakPolarHBondContact O-CB 3.1Å; S73-D139 PolarHBondContact O-N 3.29Å; S73-V140 PolarHBondContact O-N 3.33Å; S73-V140 VanDerWaalsContact O-N 3.08Å |
| 74 | L | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.2 | -174.4 | -170.7 | 150.1 | 0 | 0 | 0 | 111.2 | L62 E76 Y88 R93 V94 T95 V140 V142 | L62-L74 HydrophobicContact CD1-CD1 4.28Å; L62-L74 HydrophobicContact CD2-CD1 4.4Å; L74-E76 HydrophobicContact CD2-CB 4.02Å; L74-Y88 HydrophobicContact CD1-CD1 4.23Å; L74-Y88 HydrophobicContact CD1-CD2 4.21Å; L74-Y88 HydrophobicContact CD1-CE1 4.04Å; L74-Y88 HydrophobicContact CD1-CE2 4.03Å; L74-Y88 HydrophobicContact CD1-CG 4.31Å; L74-Y88 HydrophobicContact CD2-CE2 3.85Å; L74-R93 PolarHBondContact N-O 3.19Å; L74-V94 HydrophobicContact CD2-CG1 4.14Å; L74-V94 WeakPolarHBondContact O-CA 3.36Å; L74-T95 PolarHBondContact O-N 3.43Å; L74-V140 CarbonylContact C-O 3.46Å; L74-V140 WeakPolarHBondContact CA-O 3.44Å; L74-V140 HydrophobicContact CD1-CG1 4.15Å; L74-V140 HydrophobicContact CG-CB 4.44Å; L74-V140 HydrophobicContact CG-CG1 4.22Å; L74-V142 HydrophobicContact CD1-CG2 3.72Å; L74-V142 HydrophobicContact CD2-CB 4.46Å; L74-V142 HydrophobicContact CD2-CG2 4.07Å; L74-V142 HydrophobicContact CG-CG2 4Å |
| 75 | L | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.5 | 166.7 | -178.5 | 65.6 | 0 | 0 | 0 | 109.7 | V77 T95 I97 M130 V133 V138 V140 V141 V142 V163 | L75-V77 HydrophobicContact CD2-CG2 3.96Å; L75-V77 HydrophobicContact CG-CG2 3.89Å; L75-T95 WeakPolarHBondContact CA-O 3.44Å; L75-T95 HydrophobicContact CD1-CG2 3.74Å; L75-I97 HydrophobicContact CD1-CG2 4.1Å; L75-I97 HydrophobicContact CG-CG2 4.45Å; L75-M130 HydrophobicContact CD2-CE 4.3Å; L75-M130 HydrophobicContact CD2-SD 3.65Å; L75-V133 HydrophobicContact CD1-CG2 4.12Å; L75-V133 HydrophobicContact CD2-CG1 4.26Å; L75-V133 HydrophobicContact CD2-CG2 4.36Å; L75-V138 HydrophobicContact CB-CB 4.49Å; L75-V138 HydrophobicContact CB-CG1 4.2Å; L75-V138 HydrophobicContact CB-CG2 4.19Å; L75-V140 PolarHBondContact N-O 3.19Å; L75-V141 HydrophobicContact CB-CG2 4.19Å; L75-V141 HydrophobicContact CD2-CG2 4.25Å; L75-V141 CarbonylContact O-C 3.58Å; L75-V141 WeakPolarHBondContact O-CA 3.45Å; L75-V142 PolarHBondContact O-N 2.95Å; L75-V163 HydrophobicContact CD2-CG2 3.88Å |
| 76 | E | 98.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 108.9 | 172.5 | 176.3 | 76.6 | 156.1 | 0 | 0 | 108.5 | L74 C79 N84 F85 Y88 V94 T95 C96 I97 V142 | L74-E76 HydrophobicContact CD2-CB 4.02Å; E76-C79 HydrophobicContact CB-CB 4.38Å; E76-C79 HydrophobicContact CG-CB 3.56Å; E76-N84 PolarHBondContact OE1-ND2 3.22Å; E76-F85 HydrophobicContact CG-CE1 4.31Å; E76-Y88 VanDerWaalsContact CD-OH 3.27Å; E76-Y88 PolarHBondContact OE2-OH 3.19Å; E76-V94 HydrophobicContact CB-CG1 4.35Å; E76-T95 PolarHBondContact N-O 3.14Å; E76-C96 WeakPolarHBondContact O-CA 3.48Å; E76-I97 PolarHBondContact O-N 3.37Å; E76-V142 WeakPolarHBondContact OE2-CB 3.41Å; E76-V142 VanDerWaalsContact OE2-CG1 3.24Å; E76-V142 WeakPolarHBondContact OE2-CG1 3.44Å |
| 77 | V | 98.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.4 | 179.2 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | L75 I97 M130 V141 V142 C143 V146 I156 | L75-V77 HydrophobicContact CD2-CG2 3.96Å; L75-V77 HydrophobicContact CG-CG2 3.89Å; V77-I97 HydrophobicContact CB-CG2 3.9Å; V77-I97 HydrophobicContact CG1-CG2 3.94Å; V77-I97 HydrophobicContact CG2-CG2 3.71Å; V77-M130 HydrophobicContact CG2-CE 4.46Å; V77-M130 HydrophobicContact CG2-SD 3.82Å; V77-V141 HydrophobicContact CG2-CG1 3.64Å; V77-V142 PolarHBondContact N-O 3.16Å; V77-C143 VanDerWaalsContact CB-SG 3.58Å; V77-V146 HydrophobicContact CG1-CG1 4.44Å; V77-V146 WeakPolarHBondContact O-CG2 3.5Å; V77-I156 HydrophobicContact CG1-CD1 3.85Å |
| 78 | G | 97.5 | Very high | 95.2 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 19% | 0.186 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 53.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G80 I97 | G78-G80 PolarHBondContact O-N 2.85Å; G78-G80 VanDerWaalsContact O-N 3.14Å; G78-I97 WeakPolarHBondContact CA-O 3.3Å; G78-I97 PolarHBondContact N-O 2.71Å |
| 79 | C | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.02 | 14% | 0.139 | C | C | . | . | trans | -62.5 | -24.1 | -170.8 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | E76 T81 G82 C96 I97 D98 L107 | E76-C79 HydrophobicContact CB-CB 4.38Å; E76-C79 HydrophobicContact CG-CB 3.56Å; C79-T81 PolarHBondContact O-N 3.43Å; C79-T81 VanDerWaalsContact O-N 3.14Å; C79-G82 PolarHBondContact O-N 3.14Å; C79-C96 HydrophobicContact CB-CB 3.72Å; C79-I97 PolarHBondContact N-O 3.1Å; C79-D98 PolarHBondContact N-OD2 2.84Å; C79-L107 HydrophobicContact CB-CD1 4.27Å | ||
| 80 | G | 96.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | -122.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G78 G82 D98 F103 | G78-G80 PolarHBondContact O-N 2.85Å; G78-G80 VanDerWaalsContact O-N 3.14Å; G80-G82 VanDerWaalsContact C-N 3.32Å; G80-G82 PolarHBondContact O-N 2.79Å; G80-D98 PolarHBondContact N-OD2 2.96Å; G80-D98 VanDerWaalsContact N-OD2 3.09Å; G80-F103 VanDerWaalsContact C-CD1 3.43Å; G80-F103 WeakPolarHBondContact O-CB 3.3Å |
| 81 | T | 96.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 24 Ų | 24 | 9% | 0.092 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 14.7 | 179.8 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | A41 C79 F103 F106 S110 | A41-T81 HydrophobicContact CB-CG2 4.02Å; C79-T81 PolarHBondContact O-N 3.43Å; C79-T81 VanDerWaalsContact O-N 3.14Å; T81-F103 HydrophobicContact CG2-CD1 3.96Å; T81-F103 HydrophobicContact CG2-CE1 4.01Å; T81-F106 HydrophobicContact CG2-CB 3.79Å; T81-F106 HydrophobicContact CG2-CD1 4.34Å; T81-F106 HydrophobicContact CG2-CG 4.06Å; T81-S110 VanDerWaalsContact O-CB 3.3Å; T81-S110 WeakPolarHBondContact O-CB 3.49Å |
| 82 | G | 96.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 42.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C79 G80 N84 S110 | C79-G82 PolarHBondContact O-N 3.14Å; G80-G82 VanDerWaalsContact C-N 3.32Å; G80-G82 PolarHBondContact O-N 2.79Å; G82-N84 PolarHBondContact O-N 3.42Å; G82-S110 PolarHBondContact O-OG 2.94Å |
| 83 | A | 96 | Very high | 97.3 | Very high | 16 Ų | 16 | 21.4 Ų | 21.4 | 13% | 0.132 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T44 N48 | T44-A83 HydrophobicContact CG2-CB 3.35Å; N48-A83 PolarHBondContact ND2-O 2.83Å; N48-A83 PolarHBondContact OD1-O 3Å |
| 84 | N | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -13.2 | -169.7 | -65.6 | -40.5 | 0 | 0 | 0 | 114.1 | K55 F59 E76 G82 R86 F87 Y88 T144 | K55-N84 WeakPolarHBondContact CE-OD1 3.34Å; K55-N84 PolarHBondContact NZ-OD1 3.39Å; F59-N84 HydrophobicContact CE2-CB 4.18Å; F59-N84 HydrophobicContact CZ-CB 4.3Å; E76-N84 PolarHBondContact OE1-ND2 3.22Å; G82-N84 PolarHBondContact O-N 3.42Å; N84-R86 VanDerWaalsContact C-N 3.29Å; N84-R86 PolarHBondContact O-N 3.23Å; N84-R86 VanDerWaalsContact O-N 3.13Å; N84-F87 WeakPolarHBondContact O-CB 3.25Å; N84-F87 WeakPolarHBondContact O-CD2 3.37Å; N84-F87 PolarHBondContact O-N 3.01Å; N84-Y88 HydrophobicContact CB-CE1 3.84Å; N84-Y88 HydrophobicContact CB-CE2 4.16Å; N84-Y88 VanDerWaalsContact CB-CZ 3.48Å; N84-Y88 WeakPolarHBondContact CB-OH 3.48Å; N84-T144 WeakPolarHBondContact ND2-CG2 3.34Å; N84-T144 PolarHBondContact ND2-OG1 3.24Å |
| 85 | F | 98.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -56.5 | -37.7 | -167.1 | -69.2 | -2.6 | 0 | 0 | 0 | 114.5 | E76 F87 Y88 V94 L107 S110 I111 N114 H116 L117 | E76-F85 HydrophobicContact CG-CE1 4.31Å; F85-F87 PolarHBondContact O-N 3.13Å; F85-F87 VanDerWaalsContact O-N 3.12Å; F85-Y88 HydrophobicContact CD1-CD2 4.11Å; F85-Y88 AromaticContact CD1-CE2 3.75Å; F85-Y88 HydrophobicContact CD1-CE2 3.75Å; F85-Y88 HydrophobicContact CE1-CE2 4.26Å; F85-Y88 PolarHBondContact O-N 3.12Å; F85-V94 HydrophobicContact CE1-CG1 4.09Å; F85-V94 HydrophobicContact CZ-CG1 4.46Å; F85-L107 HydrophobicContact CE2-CD1 3.58Å; F85-L107 HydrophobicContact CZ-CD1 3.53Å; F85-S110 WeakPolarHBondContact CD2-OG 2.98Å; F85-I111 HydrophobicContact CD2-CG1 4.45Å; F85-I111 HydrophobicContact CE2-CG1 3.9Å; F85-N114 HydrophobicContact CB-CB 3.97Å; F85-H116 PolarHBondContact O-NE2 3.33Å; F85-L117 HydrophobicContact CB-CD1 3.5Å; F85-L117 HydrophobicContact CD1-CD1 4.2Å; F85-L117 HydrophobicContact CD2-CD1 4.29Å; F85-L117 HydrophobicContact CG-CD1 3.76Å |
| 86 | R | 97.4 | Very high | 97.3 | Very high | 128 Ų | 128 | 21.5 Ų | 21.5 | 48% | 0.483 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -63.7 | -16.9 | 177.9 | 73.7 | 174.2 | 109.8 | -175.8 | -1.2 | 114.5 | N48 N84 N114 | N48-R86 PolarHBondContact ND2-NH2 3.26Å; N84-R86 VanDerWaalsContact C-N 3.29Å; N84-R86 PolarHBondContact O-N 3.23Å; N84-R86 VanDerWaalsContact O-N 3.13Å; R86-N114 WeakPolarHBondContact CA-OD1 3.34Å; R86-N114 WeakPolarHBondContact CB-OD1 3.42Å; R86-N114 PolarHBondContact N-OD1 3.15Å; R86-N114 VanDerWaalsContact N-OD1 3.12Å |
| 87 | F | 97.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 21.5 Ų | 21.5 | 12% | 0.118 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -101.8 | -5.1 | -176.8 | -53.5 | -78.2 | 0 | 0 | 0 | 112.8 | A52 K55 R56 F59 N84 F85 | A52-F87 HydrophobicContact CB-CE1 4.41Å; K55-F87 HydrophobicContact CB-CD1 3.88Å; K55-F87 HydrophobicContact CB-CD2 3.96Å; K55-F87 HydrophobicContact CB-CE1 3.88Å; K55-F87 HydrophobicContact CB-CE2 3.98Å; K55-F87 HydrophobicContact CB-CG 3.92Å; K55-F87 HydrophobicContact CB-CZ 3.94Å; K55-F87 HydrophobicContact CD-CD2 3.82Å; K55-F87 HydrophobicContact CD-CE2 3.43Å; K55-F87 VanDerWaalsContact CD-CE2 3.43Å; K55-F87 HydrophobicContact CD-CZ 3.92Å; K55-F87 HydrophobicContact CG-CE2 4.33Å; R56-F87 HydrophobicContact CG-CD1 3.9Å; R56-F87 HydrophobicContact CG-CE1 4.21Å; F59-F87 HydrophobicContact CB-CB 4.36Å; F59-F87 HydrophobicContact CD2-CB 3.56Å; F59-F87 HydrophobicContact CD2-CG 4.26Å; F59-F87 HydrophobicContact CE2-CB 4.32Å; F59-F87 HydrophobicContact CG-CB 4.37Å; N84-F87 WeakPolarHBondContact O-CB 3.25Å; N84-F87 WeakPolarHBondContact O-CD2 3.37Å; N84-F87 PolarHBondContact O-N 3.01Å; F85-F87 PolarHBondContact O-N 3.13Å; F85-F87 VanDerWaalsContact O-N 3.12Å |
| 88 | Y | 98 | Very high | 97.3 | Very high | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -84.4 | 149.3 | 179.6 | -63.8 | -20.9 | 0 | 0 | 0 | 112 | F59 L62 L74 E76 N84 F85 V94 H116 L117 V142 | F59-Y88 HydrophobicContact CD1-CD1 4.46Å; F59-Y88 HydrophobicContact CD1-CE1 4Å; F59-Y88 HydrophobicContact CD2-CE1 4.29Å; F59-Y88 AromaticContact CE1-CE1 3.99Å; F59-Y88 HydrophobicContact CE1-CE1 3.99Å; F59-Y88 HydrophobicContact CE2-CE1 4.26Å; F59-Y88 HydrophobicContact CG-CD1 4.3Å; F59-Y88 HydrophobicContact CG-CE1 4.16Å; F59-Y88 HydrophobicContact CZ-CE1 4.11Å; L62-Y88 HydrophobicContact CD1-CD1 3.54Å; L62-Y88 HydrophobicContact CD1-CE1 4.05Å; L62-Y88 HydrophobicContact CD1-CG 4.39Å; L74-Y88 HydrophobicContact CD1-CD1 4.23Å; L74-Y88 HydrophobicContact CD1-CD2 4.21Å; L74-Y88 HydrophobicContact CD1-CE1 4.04Å; L74-Y88 HydrophobicContact CD1-CE2 4.03Å; L74-Y88 HydrophobicContact CD1-CG 4.31Å; L74-Y88 HydrophobicContact CD2-CE2 3.85Å; E76-Y88 VanDerWaalsContact CD-OH 3.27Å; E76-Y88 PolarHBondContact OE2-OH 3.19Å; N84-Y88 HydrophobicContact CB-CE1 3.84Å; N84-Y88 HydrophobicContact CB-CE2 4.16Å; N84-Y88 VanDerWaalsContact CB-CZ 3.48Å; N84-Y88 WeakPolarHBondContact CB-OH 3.48Å; F85-Y88 HydrophobicContact CD1-CD2 4.11Å; F85-Y88 AromaticContact CD1-CE2 3.75Å; F85-Y88 HydrophobicContact CD1-CE2 3.75Å; F85-Y88 HydrophobicContact CE1-CE2 4.26Å; F85-Y88 PolarHBondContact O-N 3.12Å; Y88-V94 HydrophobicContact CD2-CG2 4.37Å; Y88-H116 PolarHBondContact O-NE2 2.9Å; Y88-L117 HydrophobicContact CD2-CD1 4.36Å; Y88-V142 HydrophobicContact CE1-CG2 4.27Å; Y88-V142 WeakPolarHBondContact OH-CG1 3.36Å |
| 89 | P | 96.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 24 Ų | 24 | 16% | 0.156 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 150.1 | 179.3 | 27.2 | -34.7 | 0 | 0 | 0 | 111.5 | L62 L72 C92 | L62-P89 HydrophobicContact CB-CG 4.29Å; L72-P89 HydrophobicContact CD2-CG 3.84Å; P89-C92 HydrophobicContact CG-CB 4.39Å; P89-C92 PolarHBondContact O-SG 2.91Å; P89-C92 VanDerWaalsContact O-SG 3.36Å |
| 90 | P | 96.1 | Very high | 97.2 | Very high | 103 Ų | 103 | 23.9 Ų | 23.9 | 67% | 0.669 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 144.5 | 177.6 | 28.1 | -35.3 | 0 | 0 | 0 | 111.7 | C92 H116 | P90-C92 VanDerWaalsContact C-N 3.28Å; P90-C92 PolarHBondContact O-N 3.36Å; P90-H116 HydrophobicContact CB-CB 4.13Å |
| 91 | G | 94.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 26.3 Ų | 26.3 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 0.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H116 | G91-H116 PolarHBondContact N-O 2.95Š|
| 92 | C | 96.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | trans | -68.9 | 143.6 | 174.7 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | L72 P89 P90 L117 Q118 | L72-C92 HydrophobicContact CB-CB 3.97Å; L72-C92 HydrophobicContact CD2-CB 4.16Å; L72-C92 HydrophobicContact CG-CB 4.4Å; L72-C92 CarbonylContact O-C 3.4Å; L72-C92 WeakPolarHBondContact O-CA 3.22Å; P89-C92 HydrophobicContact CG-CB 4.39Å; P89-C92 PolarHBondContact O-SG 2.91Å; P89-C92 VanDerWaalsContact O-SG 3.36Å; P90-C92 VanDerWaalsContact C-N 3.28Å; P90-C92 PolarHBondContact O-N 3.36Å; C92-L117 WeakPolarHBondContact SG-CD2 3.32Å; C92-Q118 PolarHBondContact O-N 2.74Å | ||
| 93 | R | 97.8 | Very high | 97.3 | Very high | 56 Ų | 56 | 28.4 Ų | 28.4 | 21% | 0.211 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127.7 | 174.8 | -63.2 | -169 | -49.5 | -78.8 | -7.3 | 108.9 | K71 L72 S73 L74 Q118 E120 | K71-R93 PolarHBondContact O-NH1 3.04Å; L72-R93 PolarHBondContact O-N 3.32Å; S73-R93 VanDerWaalsContact CB-NH2 3.28Å; S73-R93 PolarHBondContact OG-NH2 3.09Å; L74-R93 PolarHBondContact N-O 3.19Å; R93-Q118 CarbonylContact C-O 3.36Å; R93-Q118 VanDerWaalsContact CA-O 3.28Å; R93-Q118 WeakPolarHBondContact CA-O 3.39Å; R93-Q118 HydrophobicContact CG-CB 4.14Å; R93-E120 HydrophobicContact CB-CG 4.07Å; R93-E120 WeakPolarHBondContact CB-OE1 3.49Å; R93-E120 WeakPolarHBondContact CD-OE1 3.49Å; R93-E120 IonicContact NE-OE1 2.78Å; R93-E120 PolarHBondContact NE-OE1 2.98Å; R93-E120 VanDerWaalsContact NE-OE1 3.08Å |
| 94 | V | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.1 | -175.6 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | L74 E76 F85 Y88 L117 Q118 E120 | L74-V94 HydrophobicContact CD2-CG1 4.14Å; L74-V94 WeakPolarHBondContact O-CA 3.36Å; E76-V94 HydrophobicContact CB-CG1 4.35Å; F85-V94 HydrophobicContact CE1-CG1 4.09Å; F85-V94 HydrophobicContact CZ-CG1 4.46Å; Y88-V94 HydrophobicContact CD2-CG2 4.37Å; V94-L117 HydrophobicContact CG2-CD1 4.38Å; V94-Q118 PolarHBondContact N-O 3.1Å; V94-E120 PolarHBondContact O-N 2.91Å |
| 95 | T | 98.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.5 | 162.4 | -76.1 | 0 | 0 | 0 | 0 | 108.2 | L74 L75 E76 E120 R121 V123 | L74-T95 PolarHBondContact O-N 3.43Å; L75-T95 WeakPolarHBondContact CA-O 3.44Å; L75-T95 HydrophobicContact CD1-CG2 3.74Å; E76-T95 PolarHBondContact N-O 3.14Å; T95-E120 PolarHBondContact OG1-OE2 2.85Å; T95-R121 HydrophobicContact CG2-CG 3.86Å; T95-V123 HydrophobicContact CG2-CG2 4.34Å |
| 96 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.5 | 178.9 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | E76 C79 L107 F119 R121 F122 V123 | E76-C96 WeakPolarHBondContact O-CA 3.48Å; C79-C96 HydrophobicContact CB-CB 3.72Å; C96-L107 HydrophobicContact CB-CD2 4.12Å; C96-F119 HydrophobicContact CB-CE2 4.33Å; C96-R121 PolarHBondContact N-O 3.45Å; C96-F122 HydrophobicContact CB-CD2 4.04Å; C96-V123 PolarHBondContact O-N 3.49Å |
| 97 | I | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.4 | 172.4 | -175.6 | 165.4 | 0 | 0 | 0 | 110.4 | L75 E76 V77 G78 C79 V123 A125 M130 | L75-I97 HydrophobicContact CD1-CG2 4.1Å; L75-I97 HydrophobicContact CG-CG2 4.45Å; E76-I97 PolarHBondContact O-N 3.37Å; V77-I97 HydrophobicContact CB-CG2 3.9Å; V77-I97 HydrophobicContact CG1-CG2 3.94Å; V77-I97 HydrophobicContact CG2-CG2 3.71Å; G78-I97 WeakPolarHBondContact CA-O 3.3Å; G78-I97 PolarHBondContact N-O 2.71Å; C79-I97 PolarHBondContact N-O 3.1Å; I97-V123 VanDerWaalsContact CA-O 3.31Å; I97-V123 WeakPolarHBondContact CA-O 3.39Å; I97-V123 HydrophobicContact CB-CB 4.37Å; I97-V123 HydrophobicContact CD1-CG1 4.39Å; I97-V123 HydrophobicContact CG1-CB 4.35Å; I97-V123 HydrophobicContact CG1-CG1 4.45Å; I97-A125 HydrophobicContact CD1-CB 3.6Å; I97-A125 HydrophobicContact CG1-CB 3.9Å; I97-A125 WeakPolarHBondContact CG1-O 3.44Å; I97-M130 HydrophobicContact CD1-CB 4.14Å; I97-M130 HydrophobicContact CD1-CG 3.78Å; I97-M130 HydrophobicContact CD1-SD 4.3Å; I97-M130 HydrophobicContact CG2-SD 4.3Å |
| 98 | D | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 137.9 | 175.8 | -163.2 | -69.7 | 0 | 0 | 0 | 110.3 | C79 G80 N100 F103 F122 V123 I124 A125 | C79-D98 PolarHBondContact N-OD2 2.84Å; G80-D98 PolarHBondContact N-OD2 2.96Å; G80-D98 VanDerWaalsContact N-OD2 3.09Å; D98-N100 PolarHBondContact O-N 3.4Å; D98-N100 WeakPolarHBondContact OD1-CB 3.12Å; D98-N100 PolarHBondContact OD1-N 3.26Å; D98-F103 WeakPolarHBondContact OD1-CD2 3.47Å; D98-F122 HydrophobicContact CB-CE2 3.67Å; D98-F122 HydrophobicContact CB-CZ 4.04Å; D98-V123 PolarHBondContact N-O 2.77Å; D98-V123 VanDerWaalsContact N-O 3.11Å; D98-I124 WeakPolarHBondContact O-CA 3.41Å; D98-A125 CarbonylContact C-O 3.57Å; D98-A125 PolarHBondContact O-N 2.76Å |
| 99 | P | 96.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -75 | -10.9 | -179.7 | 30.5 | -37.3 | 0 | 0 | 0 | 113.9 | P101 A125 A126 | P99-P101 WeakPolarHBondContact O-CD 3.07Å; P99-A125 WeakPolarHBondContact CD-O 3.14Å; P99-A125 VanDerWaalsContact N-O 3.07Å; P99-A126 HydrophobicContact CB-CB 4.49Å |
| 100 | N | 96.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -104.6 | 105 | -178.1 | -175.3 | 0.5 | 0 | 0 | 0 | 111.5 | K33 D98 N102 F103 | K33-N100 PolarHBondContact O-ND2 3.21Å; K33-N100 PolarHBondContact O-OD1 2.95Å; D98-N100 PolarHBondContact O-N 3.4Å; D98-N100 WeakPolarHBondContact OD1-CB 3.12Å; D98-N100 PolarHBondContact OD1-N 3.26Å; N100-N102 PolarHBondContact O-N 3.26Å; N100-N102 VanDerWaalsContact O-N 3.1Å; N100-N102 WeakPolarHBondContact OD1-CB 3.29Å; N100-N102 PolarHBondContact OD1-N 2.9Å; N100-N102 VanDerWaalsContact OD1-N 3.13Å; N100-N102 PolarHBondContact OD1-ND2 3.18Å; N100-F103 HydrophobicContact CB-CD2 3.71Å; N100-F103 HydrophobicContact CB-CE2 3.81Å; N100-F103 WeakPolarHBondContact O-CD2 3.45Å; N100-F103 PolarHBondContact O-N 3.09Å | ||
| 101 | P | 96.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 39 Ų | 39 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -65.4 | -18.5 | -177.7 | 27.8 | -36 | 0 | 0 | 0 | 113.4 | P99 F103 E104 I124 | P99-P101 WeakPolarHBondContact O-CD 3.07Å; P101-F103 PolarHBondContact O-N 2.93Å; P101-F103 VanDerWaalsContact O-N 3.11Å; P101-E104 WeakPolarHBondContact O-CB 3.34Å; P101-E104 PolarHBondContact O-N 2.83Å; P101-E104 VanDerWaalsContact O-N 3.16Å; P101-I124 HydrophobicContact CB-CD1 3.86Å; P101-I124 HydrophobicContact CB-CG1 4.24Å; P101-I124 HydrophobicContact CB-CG2 4.38Å |
| 102 | N | 97.4 | Very high | 97.4 | Very high | 61 Ų | 61 | 40.3 Ų | 40.3 | 33% | 0.326 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -69.5 | -8.3 | -178.5 | -59.6 | -79.7 | 0 | 0 | 0 | 113.4 | K33 P37 N100 | K33-N102 PolarHBondContact O-ND2 3.19Å; P37-N102 HydrophobicContact CG-CB 3.9Å; N100-N102 PolarHBondContact O-N 3.26Å; N100-N102 VanDerWaalsContact O-N 3.1Å; N100-N102 WeakPolarHBondContact OD1-CB 3.29Å; N100-N102 PolarHBondContact OD1-N 2.9Å; N100-N102 VanDerWaalsContact OD1-N 3.13Å; N100-N102 PolarHBondContact OD1-ND2 3.18Å |
| 103 | F | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -76.1 | -20.4 | 172.6 | -78.2 | -60.3 | 0 | 0 | 0 | 114.1 | F36 P37 L40 G80 T81 D98 N100 P101 K105 F106 L107 | F36-F103 AromaticContact CD1-CZ 3.93Å; F36-F103 HydrophobicContact CD1-CZ 3.93Å; F36-F103 HydrophobicContact CE1-CZ 4.16Å; P37-F103 VanDerWaalsContact CA-CE1 3.49Å; P37-F103 HydrophobicContact CB-CD1 3.66Å; P37-F103 HydrophobicContact CB-CE1 3.57Å; P37-F103 HydrophobicContact CB-CG 4.43Å; P37-F103 HydrophobicContact CB-CZ 4.27Å; P37-F103 HydrophobicContact CG-CD1 3.93Å; P37-F103 HydrophobicContact CG-CE1 3.76Å; P37-F103 HydrophobicContact CG-CE2 4.35Å; P37-F103 HydrophobicContact CG-CG 4.29Å; P37-F103 HydrophobicContact CG-CZ 3.97Å; L40-F103 HydrophobicContact CB-CE1 4.28Å; L40-F103 HydrophobicContact CD2-CE1 3.59Å; L40-F103 HydrophobicContact CD2-CZ 3.6Å; G80-F103 VanDerWaalsContact C-CD1 3.43Å; G80-F103 WeakPolarHBondContact O-CB 3.3Å; T81-F103 HydrophobicContact CG2-CD1 3.96Å; T81-F103 HydrophobicContact CG2-CE1 4.01Å; D98-F103 WeakPolarHBondContact OD1-CD2 3.47Å; N100-F103 HydrophobicContact CB-CD2 3.71Å; N100-F103 HydrophobicContact CB-CE2 3.81Å; N100-F103 WeakPolarHBondContact O-CD2 3.45Å; N100-F103 PolarHBondContact O-N 3.09Å; P101-F103 PolarHBondContact O-N 2.93Å; P101-F103 VanDerWaalsContact O-N 3.11Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 2.88Å; F103-K105 VanDerWaalsContact O-N 3.15Å; F103-F106 WeakPolarHBondContact O-CA 3.17Å; F103-F106 WeakPolarHBondContact O-CB 3.46Å; F103-F106 PolarHBondContact O-N 2.78Å; F103-L107 PolarHBondContact O-N 2.68Å |
| 104 | E | 96.7 | Very high | 97.4 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -50 | -47.4 | -171.2 | -177.2 | 175.7 | -148.5 | 0 | 0 | 113.1 | P101 F106 L107 I108 F122 | P101-E104 WeakPolarHBondContact O-CB 3.34Å; P101-E104 PolarHBondContact O-N 2.83Å; P101-E104 VanDerWaalsContact O-N 3.16Å; E104-F106 VanDerWaalsContact C-N 3.3Å; E104-F106 PolarHBondContact O-N 2.78Å; E104-L107 WeakPolarHBondContact O-CB 3.38Å; E104-L107 PolarHBondContact O-N 2.69Å; E104-I108 HydrophobicContact CG-CD1 3.93Å; E104-I108 WeakPolarHBondContact O-CG1 3.45Å; E104-I108 PolarHBondContact O-N 3.19Å; E104-F122 HydrophobicContact CB-CD1 4.18Å; E104-F122 HydrophobicContact CB-CE1 3.99Å; E104-F122 HydrophobicContact CG-CD1 4.23Å |
| 105 | K | 96.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 55 Ų | 55 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -33.4 | 179.3 | 69 | 179.4 | -174.6 | 171.3 | 0 | 114 | Y38 F103 K109 | Y38-K105 PolarHBondContact OH-NZ 2.8Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 2.88Å; F103-K105 VanDerWaalsContact O-N 3.15Å; K105-K109 PolarHBondContact O-N 3.16Å |
| 106 | F | 97.4 | Very high | 97.3 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -75.9 | -38.6 | 177.9 | -61.4 | -88.3 | 0 | 0 | 0 | 110 | P37 Y38 A41 T81 F103 E104 K109 S110 | P37-F106 HydrophobicContact CB-CD2 3.92Å; P37-F106 HydrophobicContact CB-CE2 3.45Å; P37-F106 VanDerWaalsContact CB-CE2 3.45Å; P37-F106 HydrophobicContact CB-CZ 4.15Å; Y38-F106 HydrophobicContact CD1-CE1 4.39Å; Y38-F106 AromaticContact CD1-CZ 3.73Å; Y38-F106 HydrophobicContact CD1-CZ 3.73Å; Y38-F106 HydrophobicContact CD2-CZ 4.37Å; Y38-F106 HydrophobicContact CE1-CZ 4.02Å; Y38-F106 AromaticContact CG-CZ 3.94Å; Y38-F106 HydrophobicContact CG-CZ 3.94Å; A41-F106 HydrophobicContact CB-CD1 3.64Å; A41-F106 HydrophobicContact CB-CE1 3.55Å; A41-F106 HydrophobicContact CB-CZ 4.49Å; T81-F106 HydrophobicContact CG2-CB 3.79Å; T81-F106 HydrophobicContact CG2-CD1 4.34Å; T81-F106 HydrophobicContact CG2-CG 4.06Å; F103-F106 WeakPolarHBondContact O-CA 3.17Å; F103-F106 WeakPolarHBondContact O-CB 3.46Å; F103-F106 PolarHBondContact O-N 2.78Å; E104-F106 VanDerWaalsContact C-N 3.3Å; E104-F106 PolarHBondContact O-N 2.78Å; F106-K109 PolarHBondContact O-N 2.86Å; F106-S110 PolarHBondContact O-N 3.11Å |
| 107 | L | 96.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -48.9 | 174.4 | -170.4 | 67.7 | 0 | 0 | 0 | 111.1 | C79 F85 C96 F103 E104 K109 S110 I111 F119 F122 | C79-L107 HydrophobicContact CB-CD1 4.27Å; F85-L107 HydrophobicContact CE2-CD1 3.58Å; F85-L107 HydrophobicContact CZ-CD1 3.53Å; C96-L107 HydrophobicContact CB-CD2 4.12Å; F103-L107 PolarHBondContact O-N 2.68Å; E104-L107 WeakPolarHBondContact O-CB 3.38Å; E104-L107 PolarHBondContact O-N 2.69Å; L107-K109 VanDerWaalsContact C-N 3.29Å; L107-K109 PolarHBondContact O-N 3.01Å; L107-S110 PolarHBondContact O-N 3.41Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 WeakPolarHBondContact O-CD1 3.41Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.44Å; L107-I111 PolarHBondContact O-N 3.42Å; L107-F119 HydrophobicContact CD2-CE2 4.19Å; L107-F119 HydrophobicContact CD2-CZ 4.21Å; L107-F122 HydrophobicContact CD2-CB 3.89Å; L107-F122 HydrophobicContact CD2-CD1 4.37Å; L107-F122 HydrophobicContact CD2-CD2 3.71Å; L107-F122 HydrophobicContact CD2-CE2 4.33Å; L107-F122 HydrophobicContact CD2-CG 3.75Å |
| 108 | I | 96.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 62.9 Ų | 62.9 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 176 | -70.4 | 167.3 | 0 | 0 | 0 | 111.2 | E104 I111 A112 | E104-I108 HydrophobicContact CG-CD1 3.93Å; E104-I108 WeakPolarHBondContact O-CG1 3.45Å; E104-I108 PolarHBondContact O-N 3.19Å; I108-I111 PolarHBondContact O-N 3.43Å; I108-A112 PolarHBondContact O-N 3.36Å |
| 109 | K | 97.2 | Very high | 97.1 | Very high | 131 Ų | 131 | 65.8 Ų | 65.8 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.8 | -48.1 | 175.5 | -177.9 | -179.3 | 171.7 | -177.3 | 0 | 111.6 | K105 F106 L107 I111 A112 E113 | K105-K109 PolarHBondContact O-N 3.16Å; F106-K109 PolarHBondContact O-N 2.86Å; L107-K109 VanDerWaalsContact C-N 3.29Å; L107-K109 PolarHBondContact O-N 3.01Å; K109-I111 VanDerWaalsContact C-N 3.32Å; K109-I111 PolarHBondContact O-N 3.32Å; K109-A112 PolarHBondContact O-N 3.44Å; K109-E113 WeakPolarHBondContact CE-OE1 3.41Å; K109-E113 IonicContact NZ-OE1 2.7Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 3.09Å |
| 110 | S | 97.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 178.2 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | T81 G82 F85 F106 L107 A112 E113 N114 | T81-S110 VanDerWaalsContact O-CB 3.3Å; T81-S110 WeakPolarHBondContact O-CB 3.49Å; G82-S110 PolarHBondContact O-OG 2.94Å; F85-S110 WeakPolarHBondContact CD2-OG 2.98Å; F106-S110 PolarHBondContact O-N 3.11Å; L107-S110 PolarHBondContact O-N 3.41Å; L107-S110 VanDerWaalsContact O-N 3.11Å; S110-A112 PolarHBondContact O-N 3.21Å; S110-E113 PolarHBondContact O-N 3.17Å; S110-N114 WeakPolarHBondContact O-CB 3.24Å; S110-N114 PolarHBondContact O-N 3.21Å; S110-N114 PolarHBondContact O-ND2 2.9Å; S110-N114 PolarHBondContact OG-ND2 3.36Å |
| 111 | I | 97 | Very high | 97.2 | Very high | 41 Ų | 41 | 72.6 Ų | 72.6 | 21% | 0.21 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 175.6 | -66.6 | 157.2 | 0 | 0 | 0 | 111 | F85 L107 I108 K109 E113 N114 F119 | F85-I111 HydrophobicContact CD2-CG1 4.45Å; F85-I111 HydrophobicContact CE2-CG1 3.9Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 WeakPolarHBondContact O-CD1 3.41Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.44Å; L107-I111 PolarHBondContact O-N 3.42Å; I108-I111 PolarHBondContact O-N 3.43Å; K109-I111 VanDerWaalsContact C-N 3.32Å; K109-I111 PolarHBondContact O-N 3.32Å; I111-E113 PolarHBondContact O-N 2.81Å; I111-N114 CarbonylContact O-C 3.55Å; I111-N114 PolarHBondContact O-N 3.18Å; I111-F119 HydrophobicContact CD1-CB 4.17Å; I111-F119 HydrophobicContact CD1-CD1 3.62Å; I111-F119 HydrophobicContact CD1-CD2 3.43Å; I111-F119 VanDerWaalsContact CD1-CD2 3.43Å; I111-F119 HydrophobicContact CD1-CE1 3.73Å; I111-F119 HydrophobicContact CD1-CE2 3.56Å; I111-F119 HydrophobicContact CD1-CG 3.44Å; I111-F119 VanDerWaalsContact CD1-CG 3.44Å; I111-F119 HydrophobicContact CD1-CZ 3.68Å; I111-F119 HydrophobicContact CG1-CB 4.23Å; I111-F119 HydrophobicContact CG1-CD2 3.94Å; I111-F119 HydrophobicContact CG1-CE2 4.44Å; I111-F119 HydrophobicContact CG1-CG 3.98Å; I111-F119 HydrophobicContact CG2-CB 3.87Å; I111-F119 HydrophobicContact CG2-CG 4.31Å |
| 112 | A | 97.4 | Very high | 97.3 | Very high | 57 Ų | 57 | 71.8 Ų | 71.8 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -29.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I108 K109 S110 R115 | I108-A112 PolarHBondContact O-N 3.36Å; K109-A112 PolarHBondContact O-N 3.44Å; S110-A112 PolarHBondContact O-N 3.21Å; A112-R115 WeakPolarHBondContact O-CG 3.2Å; A112-R115 PolarHBondContact O-NE 3.06Å |
| 113 | E | 97 | Very high | 97.3 | Very high | 130 Ų | 130 | 69.1 Ų | 69.1 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -81.9 | -20 | 175.3 | -68.1 | 171.2 | 179.7 | 0 | 0 | 112.8 | K109 S110 I111 | K109-E113 WeakPolarHBondContact CE-OE1 3.41Å; K109-E113 IonicContact NZ-OE1 2.7Å; K109-E113 WeakPolarHBondContact O-CG 3.42Å; K109-E113 PolarHBondContact O-N 3.09Å; S110-E113 PolarHBondContact O-N 3.17Å; I111-E113 PolarHBondContact O-N 2.81Å |
| 114 | N | 97.7 | Very high | 97.3 | Very high | 18 Ų | 18 | 73.5 Ų | 73.5 | 10% | 0.096 | 34% | 0.341 | C | S | . | . | trans | -117.4 | 55.1 | -175.5 | -67.2 | -83.5 | 0 | 0 | 0 | 111.5 | F85 R86 S110 I111 H116 L117 | F85-N114 HydrophobicContact CB-CB 3.97Å; R86-N114 WeakPolarHBondContact CA-OD1 3.34Å; R86-N114 WeakPolarHBondContact CB-OD1 3.42Å; R86-N114 PolarHBondContact N-OD1 3.15Å; R86-N114 VanDerWaalsContact N-OD1 3.12Å; S110-N114 WeakPolarHBondContact O-CB 3.24Å; S110-N114 PolarHBondContact O-N 3.21Å; S110-N114 PolarHBondContact O-ND2 2.9Å; S110-N114 PolarHBondContact OG-ND2 3.36Å; I111-N114 CarbonylContact O-C 3.55Å; I111-N114 PolarHBondContact O-N 3.18Å; N114-H116 PolarHBondContact O-N 3.12Å; N114-H116 PolarHBondContact OD1-CE1 2.78Å; N114-L117 HydrophobicContact CB-CD1 4.05Å; N114-L117 HydrophobicContact CB-CG 4.3Å; N114-L117 PolarHBondContact O-N 3.39Å | ||
| 115 | R | 97.1 | Very high | 97.3 | Very high | 219 Ų | 219 | 69.2 Ų | 69.2 | 83% | 0.826 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -10.1 | -175.7 | -60.9 | -172.4 | -179.8 | -170 | -2.5 | 115.1 | A112 L117 | A112-R115 WeakPolarHBondContact O-CG 3.2Å; A112-R115 PolarHBondContact O-NE 3.06Å; R115-L117 PolarHBondContact O-N 3.01Å |
| 116 | H | 97.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 66 Ų | 66 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.7 | 172.6 | 61.7 | -71.3 | 0 | 0 | 0 | 112.6 | F85 Y88 P90 G91 N114 | F85-H116 PolarHBondContact O-NE2 3.33Å; Y88-H116 PolarHBondContact O-NE2 2.9Å; P90-H116 HydrophobicContact CB-CB 4.13Å; G91-H116 PolarHBondContact N-O 2.95Å; N114-H116 PolarHBondContact O-N 3.12Å; N114-H116 PolarHBondContact OD1-CE1 2.78Å |
| 117 | L | 97.7 | Very high | 97.3 | Very high | 23 Ų | 23 | 64.7 Ų | 64.7 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -93.6 | 152.5 | 178.6 | -51.8 | -177.7 | 0 | 0 | 0 | 112 | F85 Y88 C92 V94 N114 R115 | F85-L117 HydrophobicContact CB-CD1 3.5Å; F85-L117 HydrophobicContact CD1-CD1 4.2Å; F85-L117 HydrophobicContact CD2-CD1 4.29Å; F85-L117 HydrophobicContact CG-CD1 3.76Å; Y88-L117 HydrophobicContact CD2-CD1 4.36Å; C92-L117 WeakPolarHBondContact SG-CD2 3.32Å; V94-L117 HydrophobicContact CG2-CD1 4.38Å; N114-L117 HydrophobicContact CB-CD1 4.05Å; N114-L117 HydrophobicContact CB-CG 4.3Å; N114-L117 PolarHBondContact O-N 3.39Å; R115-L117 PolarHBondContact O-N 3.01Å |
| 118 | Q | 97.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 92.4 | 169 | -63.3 | -172 | -10.2 | 0 | 0 | 108.9 | C92 R93 V94 E120 | C92-Q118 PolarHBondContact O-N 2.74Å; R93-Q118 CarbonylContact C-O 3.36Å; R93-Q118 VanDerWaalsContact CA-O 3.28Å; R93-Q118 WeakPolarHBondContact CA-O 3.39Å; R93-Q118 HydrophobicContact CG-CB 4.14Å; V94-Q118 PolarHBondContact N-O 3.1Å; Q118-E120 PolarHBondContact O-N 3.33Å |
| 119 | F | 97.8 | Very high | 97.4 | Very high | 72 Ų | 72 | 65 Ų | 65 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 124.6 | 176.6 | 179.8 | -104.6 | 0 | 0 | 0 | 110.7 | C96 L107 I111 F122 | C96-F119 HydrophobicContact CB-CE2 4.33Å; L107-F119 HydrophobicContact CD2-CE2 4.19Å; L107-F119 HydrophobicContact CD2-CZ 4.21Å; I111-F119 HydrophobicContact CD1-CB 4.17Å; I111-F119 HydrophobicContact CD1-CD1 3.62Å; I111-F119 HydrophobicContact CD1-CD2 3.43Å; I111-F119 VanDerWaalsContact CD1-CD2 3.43Å; I111-F119 HydrophobicContact CD1-CE1 3.73Å; I111-F119 HydrophobicContact CD1-CE2 3.56Å; I111-F119 HydrophobicContact CD1-CG 3.44Å; I111-F119 VanDerWaalsContact CD1-CG 3.44Å; I111-F119 HydrophobicContact CD1-CZ 3.68Å; I111-F119 HydrophobicContact CG1-CB 4.23Å; I111-F119 HydrophobicContact CG1-CD2 3.94Å; I111-F119 HydrophobicContact CG1-CE2 4.44Å; I111-F119 HydrophobicContact CG1-CG 3.98Å; I111-F119 HydrophobicContact CG2-CB 3.87Å; I111-F119 HydrophobicContact CG2-CG 4.31Å; F119-F122 HydrophobicContact CZ-CB 3.93Å |
| 120 | E | 97.1 | Very high | 97.4 | Very high | 93 Ų | 93 | 58.8 Ų | 58.8 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -56.2 | -178 | -68.5 | -176.2 | 147.6 | 0 | 0 | 111.8 | R93 V94 T95 Q118 | R93-E120 HydrophobicContact CB-CG 4.07Å; R93-E120 WeakPolarHBondContact CB-OE1 3.49Å; R93-E120 WeakPolarHBondContact CD-OE1 3.49Å; R93-E120 IonicContact NE-OE1 2.78Å; R93-E120 PolarHBondContact NE-OE1 2.98Å; R93-E120 VanDerWaalsContact NE-OE1 3.08Å; V94-E120 PolarHBondContact O-N 2.91Å; T95-E120 PolarHBondContact OG1-OE2 2.85Å; Q118-E120 PolarHBondContact O-N 3.33Å |
| 121 | R | 97.3 | Very high | 97.4 | Very high | 110 Ų | 110 | 64.2 Ų | 64.2 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 159.4 | -177.8 | 62.4 | -175.9 | 179.2 | 166.7 | 6.2 | 113 | T95 C96 V123 Q132 | T95-R121 HydrophobicContact CG2-CG 3.86Å; C96-R121 PolarHBondContact N-O 3.45Å; R121-V123 HydrophobicContact CG-CG2 4.2Å; R121-Q132 PolarHBondContact NH2-O 2.83Å |
| 122 | F | 98.3 | Very high | 97.4 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.3 | 167.7 | 176.8 | -136.1 | 0 | 0 | 0 | 109.8 | C96 D98 E104 L107 F119 I124 | C96-F122 HydrophobicContact CB-CD2 4.04Å; D98-F122 HydrophobicContact CB-CE2 3.67Å; D98-F122 HydrophobicContact CB-CZ 4.04Å; E104-F122 HydrophobicContact CB-CD1 4.18Å; E104-F122 HydrophobicContact CB-CE1 3.99Å; E104-F122 HydrophobicContact CG-CD1 4.23Å; L107-F122 HydrophobicContact CD2-CB 3.89Å; L107-F122 HydrophobicContact CD2-CD1 4.37Å; L107-F122 HydrophobicContact CD2-CD2 3.71Å; L107-F122 HydrophobicContact CD2-CE2 4.33Å; L107-F122 HydrophobicContact CD2-CG 3.75Å; F119-F122 HydrophobicContact CZ-CB 3.93Å; F122-I124 HydrophobicContact CD1-CG1 4.42Å; F122-I124 HydrophobicContact CE1-CG1 3.94Å; F122-I124 HydrophobicContact CZ-CG1 4.28Å |
| 123 | V | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.5 | -179.7 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | T95 C96 I97 D98 R121 A125 Q132 | T95-V123 HydrophobicContact CG2-CG2 4.34Å; C96-V123 PolarHBondContact O-N 3.49Å; I97-V123 VanDerWaalsContact CA-O 3.31Å; I97-V123 WeakPolarHBondContact CA-O 3.39Å; I97-V123 HydrophobicContact CB-CB 4.37Å; I97-V123 HydrophobicContact CD1-CG1 4.39Å; I97-V123 HydrophobicContact CG1-CB 4.35Å; I97-V123 HydrophobicContact CG1-CG1 4.45Å; D98-V123 PolarHBondContact N-O 2.77Å; D98-V123 VanDerWaalsContact N-O 3.11Å; R121-V123 HydrophobicContact CG-CG2 4.2Å; V123-A125 HydrophobicContact CG1-CB 4.02Å; V123-A125 PolarHBondContact O-N 3.46Å; V123-A125 VanDerWaalsContact O-N 3.13Å; V123-Q132 HydrophobicContact CG1-CB 3.99Å; V123-Q132 HydrophobicContact CG1-CG 4.32Å |
| 124 | I | 97.7 | Very high | 97.5 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 93.3 | 175.5 | -57.2 | 159.8 | 0 | 0 | 0 | 108.4 | D98 P101 F122 | D98-I124 WeakPolarHBondContact O-CA 3.41Å; P101-I124 HydrophobicContact CB-CD1 3.86Å; P101-I124 HydrophobicContact CB-CG1 4.24Å; P101-I124 HydrophobicContact CB-CG2 4.38Å; F122-I124 HydrophobicContact CD1-CG1 4.42Å; F122-I124 HydrophobicContact CE1-CG1 3.94Å; F122-I124 HydrophobicContact CZ-CG1 4.28Å |
| 125 | A | 97.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -159.4 | 159.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | I97 D98 P99 V123 | I97-A125 HydrophobicContact CD1-CB 3.6Å; I97-A125 HydrophobicContact CG1-CB 3.9Å; I97-A125 WeakPolarHBondContact CG1-O 3.44Å; D98-A125 CarbonylContact C-O 3.57Å; D98-A125 PolarHBondContact O-N 2.76Å; P99-A125 WeakPolarHBondContact CD-O 3.14Å; P99-A125 VanDerWaalsContact N-O 3.07Å; V123-A125 HydrophobicContact CG1-CB 4.02Å; V123-A125 PolarHBondContact O-N 3.46Å; V123-A125 VanDerWaalsContact O-N 3.13Å |
| 126 | A | 97.1 | Very high | 97.5 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | trans | -78.6 | 146.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | P99 E128 N129 | P99-A126 HydrophobicContact CB-CB 4.49Å; A126-E128 PolarHBondContact O-N 3.41Å; A126-N129 CarbonylContact O-C 3.44Å; A126-N129 VanDerWaalsContact O-C 3.22Å; A126-N129 PolarHBondContact O-N 3.36Å | ||
| 127 | G | 96.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 56 Ų | 56 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N129 M130 | G127-N129 PolarHBondContact O-N 2.91Å; G127-M130 WeakPolarHBondContact O-CG 3.19Å |
| 128 | E | 98 | Very high | 97.5 | Very high | 26 Ų | 26 | 55.2 Ų | 55.2 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.7 | 171.7 | -56.6 | 97.3 | 132.5 | 0 | 0 | 113.7 | A126 V150 K151 Q155 I156 | A126-E128 PolarHBondContact O-N 3.41Å; E128-V150 HydrophobicContact CG-CB 4.36Å; E128-V150 WeakPolarHBondContact OE1-CA 3.08Å; E128-V150 VanDerWaalsContact OE1-CB 3.29Å; E128-V150 WeakPolarHBondContact OE1-CB 3.09Å; E128-K151 PolarHBondContact OE1-N 2.76Å; E128-Q155 HydrophobicContact CB-CB 4.27Å; E128-Q155 HydrophobicContact CB-CG 3.92Å; E128-Q155 HydrophobicContact CG-CB 4.41Å; E128-Q155 WeakPolarHBondContact O-CG 3.4Å; E128-Q155 PolarHBondContact O-NE2 3.38Å; E128-I156 HydrophobicContact CG-CB 4.23Å |
| 129 | N | 97.5 | Very high | 97.6 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | trans | -146.7 | 91.3 | 177.3 | -178.2 | -7.1 | 0 | 0 | 0 | 110.9 | A126 G127 H131 | A126-N129 CarbonylContact O-C 3.44Å; A126-N129 VanDerWaalsContact O-C 3.22Å; A126-N129 PolarHBondContact O-N 3.36Å; G127-N129 PolarHBondContact O-N 2.91Å; N129-H131 WeakPolarHBondContact OD1-CB 3.43Å; N129-H131 PolarHBondContact OD1-N 3.33Å; N129-H131 PolarHBondContact OD1-ND1 2.86Å | ||
| 130 | M | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -103.8 | 36.2 | -178.3 | -49.7 | -161.9 | -90.5 | 0 | 0 | 111.7 | L75 V77 I97 G127 Q132 V133 E159 V160 R162 V163 | L75-M130 HydrophobicContact CD2-CE 4.3Å; L75-M130 HydrophobicContact CD2-SD 3.65Å; V77-M130 HydrophobicContact CG2-CE 4.46Å; V77-M130 HydrophobicContact CG2-SD 3.82Å; I97-M130 HydrophobicContact CD1-CB 4.14Å; I97-M130 HydrophobicContact CD1-CG 3.78Å; I97-M130 HydrophobicContact CD1-SD 4.3Å; I97-M130 HydrophobicContact CG2-SD 4.3Å; G127-M130 WeakPolarHBondContact O-CG 3.19Å; M130-Q132 PolarHBondContact O-N 3.25Å; M130-V133 HydrophobicContact CB-CB 4.39Å; M130-V133 HydrophobicContact CB-CG2 4.37Å; M130-V133 WeakPolarHBondContact O-CA 3.5Å; M130-V133 WeakPolarHBondContact O-CB 3.13Å; M130-V133 PolarHBondContact O-N 3.21Å; M130-E159 VanDerWaalsContact CA-OE2 3.32Å; M130-E159 WeakPolarHBondContact CA-OE2 3.26Å; M130-E159 WeakPolarHBondContact CB-OE2 3.1Å; M130-E159 VanDerWaalsContact CE-C 3.4Å; M130-E159 HydrophobicContact CE-CB 3.4Å; M130-E159 HydrophobicContact CG-CB 4.2Å; M130-E159 PolarHBondContact N-OE2 2.97Å; M130-V160 HydrophobicContact CE-CG2 4.12Å; M130-R162 VanDerWaalsContact C-NH2 3.34Å; M130-R162 PolarHBondContact O-NH2 3.31Å; M130-V163 HydrophobicContact CB-CG1 4.39Å; M130-V163 HydrophobicContact CE-CG1 4.41Å; M130-V163 HydrophobicContact CE-CG2 4.1Å | ||
| 131 | H | 96.3 | Very high | 97.7 | Very high | 127 Ų | 127 | 43.8 Ų | 43.8 | 59% | 0.588 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -22 | -177.7 | 66.3 | -79.9 | 0 | 0 | 0 | 115 | N129 V133 | N129-H131 WeakPolarHBondContact OD1-CB 3.43Å; N129-H131 PolarHBondContact OD1-N 3.33Å; N129-H131 PolarHBondContact OD1-ND1 2.86Å; H131-V133 VanDerWaalsContact C-N 3.26Å |
| 132 | Q | 97.3 | Very high | 97.8 | Very high | 90 Ų | 90 | 38.5 Ų | 38.5 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5 | 175.6 | -62.3 | -178.1 | 62.8 | 0 | 0 | 113.3 | R121 V123 M130 | R121-Q132 PolarHBondContact NH2-O 2.83Å; V123-Q132 HydrophobicContact CG1-CB 3.99Å; V123-Q132 HydrophobicContact CG1-CG 4.32Å; M130-Q132 PolarHBondContact O-N 3.25Å |
| 133 | V | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -109.1 | 124.1 | 175.1 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | L75 M130 H131 V138 R162 V163 | L75-V133 HydrophobicContact CD1-CG2 4.12Å; L75-V133 HydrophobicContact CD2-CG1 4.26Å; L75-V133 HydrophobicContact CD2-CG2 4.36Å; M130-V133 HydrophobicContact CB-CB 4.39Å; M130-V133 HydrophobicContact CB-CG2 4.37Å; M130-V133 WeakPolarHBondContact O-CA 3.5Å; M130-V133 WeakPolarHBondContact O-CB 3.13Å; M130-V133 PolarHBondContact O-N 3.21Å; H131-V133 VanDerWaalsContact C-N 3.26Å; V133-V138 HydrophobicContact CG1-CG1 4.47Å; V133-R162 PolarHBondContact O-NH1 3.17Å; V133-R162 PolarHBondContact O-NH2 2.95Å; V133-V163 HydrophobicContact CB-CG1 3.91Å; V133-V163 HydrophobicContact CG1-CB 3.92Å; V133-V163 HydrophobicContact CG1-CG1 3.69Å |
| 134 | A | 98 | Very high | 97.8 | Very high | 63 Ų | 63 | 37.1 Ų | 37.1 | 52% | 0.521 | 22% | 0.22 | S | C | . | . | trans | -70.5 | 152.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S137 | A134-S137 VanDerWaalsContact O-CB 3.31Å; A134-S137 WeakPolarHBondContact O-CB 3.32Å; A134-S137 PolarHBondContact O-N 3.01Å; A134-S137 PolarHBondContact O-OG 3.1Å | ||
| 135 | D | 98.5 | Very high | 97.7 | Very high | 113 Ų | 113 | 34.7 Ų | 34.7 | 60% | 0.604 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 137.8 | 173.9 | -66.5 | 30.8 | 0 | 0 | 0 | 110.5 | S137 R162 | D135-S137 PolarHBondContact O-N 3.33Å; D135-R162 WeakPolarHBondContact CA-O 3.47Å; D135-R162 HydrophobicContact CB-CG 4.25Å; D135-R162 VanDerWaalsContact CG-CG 3.44Å; D135-R162 VanDerWaalsContact OD1-CD 3.32Å; D135-R162 WeakPolarHBondContact OD1-CD 3.44Å; D135-R162 WeakPolarHBondContact OD1-CG 3.1Å; D135-R162 IonicContact OD1-CZ 2.76Å; D135-R162 IonicContact OD1-NE 2.65Å; D135-R162 IonicContact OD1-NH1 3.56Å; D135-R162 PolarHBondContact OD1-NH1 2.84Å; D135-R162 WeakPolarHBondContact OD2-CG 3.46Å |
| 136 | G | 97.6 | Very high | 97.7 | Very high | 34 Ų | 34 | 35 Ų | 35 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 20.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R162 V163 L164 R165 | G136-R162 PolarHBondContact N-O 3.12Å; G136-V163 CarbonylContact C-O 3.54Å; G136-V163 WeakPolarHBondContact CA-O 3.41Å; G136-V163 PolarHBondContact N-O 3.37Å; G136-L164 WeakPolarHBondContact CA-O 3.49Å; G136-R165 WeakPolarHBondContact O-CB 3.4Å |
| 137 | S | 97 | Very high | 97.8 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | trans | -92.6 | -13.9 | -170.2 | 65 | 0 | 0 | 0 | 0 | 114.7 | A134 D135 V163 | A134-S137 VanDerWaalsContact O-CB 3.31Å; A134-S137 WeakPolarHBondContact O-CB 3.32Å; A134-S137 PolarHBondContact O-N 3.01Å; A134-S137 PolarHBondContact O-OG 3.1Å; D135-S137 PolarHBondContact O-N 3.33Å; S137-V163 PolarHBondContact N-O 3.18Å | ||
| 138 | V | 98 | Very high | 97.8 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 146.7 | -177.8 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | L75 V133 V141 V163 L164 R165 | L75-V138 HydrophobicContact CB-CB 4.49Å; L75-V138 HydrophobicContact CB-CG1 4.2Å; L75-V138 HydrophobicContact CB-CG2 4.19Å; V133-V138 HydrophobicContact CG1-CG1 4.47Å; V138-V141 HydrophobicContact CG2-CG2 3.78Å; V138-V163 HydrophobicContact CG2-CB 4.16Å; V138-V163 HydrophobicContact CG2-CG2 3.9Å; V138-V163 WeakPolarHBondContact CG2-O 3.36Å; V138-V163 PolarHBondContact N-O 2.85Å; V138-V163 VanDerWaalsContact N-O 3.16Å; V138-L164 HydrophobicContact CG2-CD2 4.33Å; V138-R165 PolarHBondContact O-N 2.87Å |
| 139 | D | 98.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -42 | 177.3 | -66.4 | -44.1 | 0 | 0 | 0 | 110.9 | F65 G67 L72 S73 R165 G168 A169 | F65-D139 WeakPolarHBondContact O-CB 3.49Å; G67-D139 VanDerWaalsContact CA-OD1 3.28Å; G67-D139 WeakPolarHBondContact CA-OD1 3.3Å; G67-D139 VanDerWaalsContact N-CG 3.31Å; G67-D139 PolarHBondContact N-OD1 2.82Å; G67-D139 PolarHBondContact N-OD2 3.16Å; L72-D139 WeakPolarHBondContact CA-OD2 3.46Å; L72-D139 HydrophobicContact CD1-CB 3.79Å; S73-D139 PolarHBondContact N-OD2 3.19Å; S73-D139 WeakPolarHBondContact O-CB 3.1Å; S73-D139 PolarHBondContact O-N 3.29Å; D139-R165 VanDerWaalsContact OD1-CD 3.27Å; D139-R165 WeakPolarHBondContact OD1-CD 3.29Å; D139-R165 IonicContact OD1-CZ 3.52Å; D139-R165 IonicContact OD1-NE 3.9Å; D139-R165 PolarHBondContact OD1-NE 3.2Å; D139-R165 IonicContact OD1-NH2 3.72Å; D139-G168 CarbonylContact O-C 3.39Å; D139-G168 WeakPolarHBondContact O-CA 3.5Å; D139-A169 PolarHBondContact O-N 3.16Å |
| 140 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 140.1 | -177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L62 F65 L72 S73 L74 L75 V142 A169 Y171 | L62-V140 HydrophobicContact CD2-CB 4.32Å; L62-V140 HydrophobicContact CD2-CG1 3.64Å; L62-V140 HydrophobicContact CD2-CG2 4.05Å; F65-V140 HydrophobicContact CB-CG2 3.83Å; L72-V140 HydrophobicContact CD1-CG2 3.89Å; S73-V140 PolarHBondContact O-N 3.33Å; S73-V140 VanDerWaalsContact O-N 3.08Å; L74-V140 CarbonylContact C-O 3.46Å; L74-V140 WeakPolarHBondContact CA-O 3.44Å; L74-V140 HydrophobicContact CD1-CG1 4.15Å; L74-V140 HydrophobicContact CG-CB 4.44Å; L74-V140 HydrophobicContact CG-CG1 4.22Å; L75-V140 PolarHBondContact N-O 3.19Å; V140-V142 HydrophobicContact CG1-CG2 3.8Å; V140-A169 CarbonylContact C-O 3.22Å; V140-A169 WeakPolarHBondContact CA-O 3.21Å; V140-A169 HydrophobicContact CG2-CB 4.48Å; V140-Y171 HydrophobicContact CG1-CD2 3.69Å; V140-Y171 HydrophobicContact CG1-CE2 4.13Å; V140-Y171 HydrophobicContact CG2-CE2 4.23Å |
| 141 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 136.2 | 162.6 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | L75 V77 V138 V160 V163 L164 A169 F170 Y171 | L75-V141 HydrophobicContact CB-CG2 4.19Å; L75-V141 HydrophobicContact CD2-CG2 4.25Å; L75-V141 CarbonylContact O-C 3.58Å; L75-V141 WeakPolarHBondContact O-CA 3.45Å; V77-V141 HydrophobicContact CG2-CG1 3.64Å; V138-V141 HydrophobicContact CG2-CG2 3.78Å; V141-V160 HydrophobicContact CB-CG1 4.12Å; V141-V160 HydrophobicContact CG1-CG1 4.26Å; V141-V160 HydrophobicContact CG1-CG2 4.01Å; V141-V160 HydrophobicContact CG2-CG1 4.29Å; V141-V163 HydrophobicContact CG2-CG2 3.66Å; V141-L164 HydrophobicContact CB-CD2 4.37Å; V141-L164 HydrophobicContact CG2-CD1 4.45Å; V141-L164 HydrophobicContact CG2-CD2 3.75Å; V141-L164 HydrophobicContact CG2-CG 3.76Å; V141-A169 PolarHBondContact N-O 3.45Å; V141-F170 HydrophobicContact CB-CD2 4.04Å; V141-F170 HydrophobicContact CG1-CD2 4.03Å; V141-F170 HydrophobicContact CG1-CE2 4.29Å; V141-F170 CarbonylContact O-C 3.1Å; V141-F170 WeakPolarHBondContact O-CA 3.25Å; V141-F170 WeakPolarHBondContact O-CD2 3.49Å; V141-Y171 PolarHBondContact O-N 3.34Å |
| 142 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.2 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | F59 L74 L75 E76 V77 Y88 V140 T144 Y171 | F59-V142 HydrophobicContact CE1-CG1 3.74Å; F59-V142 HydrophobicContact CE1-CG2 4.21Å; F59-V142 HydrophobicContact CZ-CG1 3.92Å; L74-V142 HydrophobicContact CD1-CG2 3.72Å; L74-V142 HydrophobicContact CD2-CB 4.46Å; L74-V142 HydrophobicContact CD2-CG2 4.07Å; L74-V142 HydrophobicContact CG-CG2 4Å; L75-V142 PolarHBondContact O-N 2.95Å; E76-V142 WeakPolarHBondContact OE2-CB 3.41Å; E76-V142 VanDerWaalsContact OE2-CG1 3.24Å; E76-V142 WeakPolarHBondContact OE2-CG1 3.44Å; V77-V142 PolarHBondContact N-O 3.16Å; Y88-V142 HydrophobicContact CE1-CG2 4.27Å; Y88-V142 WeakPolarHBondContact OH-CG1 3.36Å; V140-V142 HydrophobicContact CG1-CG2 3.8Å; V142-T144 HydrophobicContact CG1-CG2 3.95Å; V142-Y171 WeakPolarHBondContact CA-O 3.36Å |
| 143 | C | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.2 | 169.8 | -73.1 | 0 | 0 | 0 | 0 | 109.2 | V77 V146 F170 Y171 F172 M173 | V77-C143 VanDerWaalsContact CB-SG 3.58Å; C143-V146 HydrophobicContact CB-CB 4.39Å; C143-F170 HydrophobicContact CB-CE2 3.6Å; C143-F170 HydrophobicContact CB-CZ 3.79Å; C143-F170 WeakPolarHBondContact SG-CE2 3.45Å; C143-Y171 PolarHBondContact N-O 3.49Å; C143-F172 WeakPolarHBondContact O-CA 3.25Å; C143-M173 PolarHBondContact O-N 3.15Å |
| 144 | T | 97.9 | Very high | 97.7 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.2 | 173.5 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | F59 N84 V142 V146 M173 | F59-T144 HydrophobicContact CZ-CG2 4.08Å; N84-T144 WeakPolarHBondContact ND2-CG2 3.34Å; N84-T144 PolarHBondContact ND2-OG1 3.24Å; V142-T144 HydrophobicContact CG1-CG2 3.95Å; T144-V146 VanDerWaalsContact C-N 3.33Å; T144-V146 WeakPolarHBondContact O-CG2 3.11Å; T144-M173 CarbonylContact C-O 3.58Å; T144-M173 VanDerWaalsContact CA-O 3.25Å; T144-M173 WeakPolarHBondContact CA-O 3.34Å; T144-M173 HydrophobicContact CG2-CB 3.9Å |
| 145 | L | 96.9 | Very high | 97.7 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 24% | 0.241 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 59.4 | 42 | -175 | -51.9 | 175.5 | 0 | 0 | 0 | 112.4 | F43 Y47 M173 E174 | F43-L145 HydrophobicContact CE1-CD1 4.31Å; Y47-L145 HydrophobicContact CD1-CD1 4.37Å; Y47-L145 HydrophobicContact CD2-CD1 4.29Å; Y47-L145 HydrophobicContact CE1-CD1 3.96Å; Y47-L145 HydrophobicContact CE2-CD1 3.88Å; Y47-L145 HydrophobicContact CE2-CD2 4.42Å; L145-M173 PolarHBondContact N-O 3.23Å; L145-E174 WeakPolarHBondContact CA-OE2 3.3Å; L145-E174 PolarHBondContact N-OE1 3.42Å; L145-E174 VanDerWaalsContact N-OE1 3.16Å |
| 146 | V | 97.4 | Very high | 97.7 | Very high | 19 Ų | 19 | 33.7 Ų | 33.7 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | trans | -124 | -44.7 | -175.8 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | V77 C143 T144 C148 S149 V150 I156 E174 | V77-V146 HydrophobicContact CG1-CG1 4.44Å; V77-V146 WeakPolarHBondContact O-CG2 3.5Å; C143-V146 HydrophobicContact CB-CB 4.39Å; T144-V146 VanDerWaalsContact C-N 3.33Å; T144-V146 WeakPolarHBondContact O-CG2 3.11Å; V146-C148 PolarHBondContact O-N 3.38Å; V146-C148 VanDerWaalsContact O-N 3.16Å; V146-S149 PolarHBondContact O-N 3.06Å; V146-V150 HydrophobicContact CG1-CG1 4.16Å; V146-V150 PolarHBondContact O-N 3.37Å; V146-I156 HydrophobicContact CG1-CD1 4.29Å; V146-E174 PolarHBondContact N-OE1 2.92Å; V146-E174 PolarHBondContact N-OE2 3.3Å; V146-E174 VanDerWaalsContact N-OE2 3.1Å | ||
| 147 | L | 97.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -27.3 | 179.4 | -64.1 | 178.7 | 0 | 0 | 0 | 111.3 | S149 V150 Q153 I156 L157 F170 E174 R206 L212 | L147-S149 PolarHBondContact O-N 2.81Å; L147-V150 WeakPolarHBondContact O-CG2 3.35Å; L147-Q153 PolarHBondContact O-NE2 3.15Å; L147-I156 HydrophobicContact CD2-CD1 4.2Å; L147-I156 HydrophobicContact CD2-CG2 3.64Å; L147-L157 HydrophobicContact CD2-CD2 4.36Å; L147-F170 HydrophobicContact CD1-CE1 4.38Å; L147-F170 HydrophobicContact CD1-CZ 4.15Å; L147-E174 HydrophobicContact CB-CG 3.94Å; L147-E174 HydrophobicContact CD1-CG 4.18Å; L147-E174 HydrophobicContact CG-CG 4.31Å; L147-E174 VanDerWaalsContact N-CD 3.28Å; L147-E174 PolarHBondContact N-OE1 2.81Å; L147-E174 PolarHBondContact N-OE2 2.82Å; L147-E174 VanDerWaalsContact N-OE2 3.15Å; L147-R206 WeakPolarHBondContact O-CD 3.48Å; L147-R206 PolarHBondContact O-NH1 2.96Å; L147-L212 HydrophobicContact CD1-CD1 4.41Å; L147-L212 HydrophobicContact CD1-CD2 4.05Å; L147-L212 HydrophobicContact CD1-CG 4.42Å |
| 148 | C | 96.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.8 | 173 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | V146 E174 H175 I203 R206 | V146-C148 PolarHBondContact O-N 3.38Å; V146-C148 VanDerWaalsContact O-N 3.16Å; C148-E174 PolarHBondContact N-OE2 3.01Å; C148-H175 WeakPolarHBondContact CB-NE2 2.85Å; C148-H175 PolarHBondContact SG-NE2 2.83Å; C148-I203 PolarHBondContact O-N 2.9Å; C148-R206 WeakPolarHBondContact O-CD 3.4Å; C148-R206 PolarHBondContact O-NH1 2.97Å |
| 149 | S | 96.4 | Very high | 97.8 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -20.5 | -170.6 | -56.2 | 0 | 0 | 0 | 0 | 115 | V146 L147 G201 C202 | V146-S149 PolarHBondContact O-N 3.06Å; L147-S149 PolarHBondContact O-N 2.81Å; S149-G201 WeakPolarHBondContact CA-O 3.22Å; S149-C202 VanDerWaalsContact OG-CA 3.28Å; S149-C202 WeakPolarHBondContact OG-CA 3.21Å; S149-C202 PolarHBondContact OG-N 3.36Å |
| 150 | V | 96.9 | Very high | 97.8 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | trans | -61.3 | 154 | -179.6 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | E128 V146 L147 Q153 I156 R206 | E128-V150 HydrophobicContact CG-CB 4.36Å; E128-V150 WeakPolarHBondContact OE1-CA 3.08Å; E128-V150 VanDerWaalsContact OE1-CB 3.29Å; E128-V150 WeakPolarHBondContact OE1-CB 3.09Å; V146-V150 HydrophobicContact CG1-CG1 4.16Å; V146-V150 PolarHBondContact O-N 3.37Å; L147-V150 WeakPolarHBondContact O-CG2 3.35Å; V150-Q153 HydrophobicContact CG2-CB 4.44Å; V150-Q153 HydrophobicContact CG2-CG 3.72Å; V150-I156 HydrophobicContact CG1-CD1 3.84Å; V150-I156 HydrophobicContact CG1-CG2 4.4Å; V150-I156 HydrophobicContact CG2-CG2 4.07Å; V150-R206 VanDerWaalsContact O-CZ 3.27Å; V150-R206 PolarHBondContact O-NH1 3.14Å; V150-R206 PolarHBondContact O-NH2 3.26Å | ||
| 151 | K | 95.9 | Very high | 97.8 | Very high | 199 Ų | 199 | 40.3 Ų | 40.3 | 87% | 0.865 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -72.7 | -38.3 | 174.6 | -66.9 | -177.1 | 179.7 | -179.1 | 0 | 111.6 | E128 | E128-K151 PolarHBondContact OE1-N 2.76Š|
| 152 | N | 97.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 43 Ų | 43 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | trans | -136.4 | 105.6 | -177.4 | -172.3 | -31.6 | 0 | 0 | 0 | 111.2 | E154 Q155 I156 | N152-E154 WeakPolarHBondContact OD1-CB 3.4Å; N152-E154 PolarHBondContact OD1-N 3.44Å; N152-Q155 HydrophobicContact CB-CB 3.82Å; N152-Q155 PolarHBondContact O-N 2.82Å; N152-Q155 PolarHBondContact OD1-N 3.37Å; N152-I156 PolarHBondContact O-N 3Å | ||
| 153 | Q | 97.9 | Very high | 97.8 | Very high | 22 Ų | 22 | 43 Ų | 43 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -37.4 | 179.4 | -66.9 | -169.5 | -45.1 | 0 | 0 | 112.7 | L147 V150 Q155 I156 L157 S208 T211 | L147-Q153 PolarHBondContact O-NE2 3.15Å; V150-Q153 HydrophobicContact CG2-CB 4.44Å; V150-Q153 HydrophobicContact CG2-CG 3.72Å; Q153-Q155 VanDerWaalsContact C-N 3.28Å; Q153-Q155 PolarHBondContact O-N 3.19Å; Q153-I156 WeakPolarHBondContact O-CG2 3.17Å; Q153-L157 WeakPolarHBondContact O-CB 3.4Å; Q153-L157 WeakPolarHBondContact O-CG 3.33Å; Q153-L157 PolarHBondContact O-N 2.83Å; Q153-S208 PolarHBondContact NE2-OG 2.93Å; Q153-T211 HydrophobicContact CB-CG2 3.74Å; Q153-T211 PolarHBondContact OE1-OG1 3.27Å |
| 154 | E | 97.9 | Very high | 97.8 | Very high | 117 Ų | 117 | 43 Ų | 43 | 55% | 0.547 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67 | -34.8 | 178.4 | -62 | 177.6 | 177.8 | 0 | 0 | 111.2 | N152 R158 T211 | N152-E154 WeakPolarHBondContact OD1-CB 3.4Å; N152-E154 PolarHBondContact OD1-N 3.44Å; E154-R158 WeakPolarHBondContact O-CG 3.28Å; E154-R158 PolarHBondContact O-N 3.37Å; E154-R158 PolarHBondContact O-NE 3.26Å; E154-T211 HydrophobicContact CG-CG2 3.75Å |
| 155 | Q | 98.4 | Very high | 97.8 | Very high | 77 Ų | 77 | 44.8 Ų | 44.8 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.3 | -47.3 | 178.3 | -171.9 | 173.8 | -6.8 | 0 | 0 | 112.4 | E128 N152 Q153 L157 R158 E159 | E128-Q155 HydrophobicContact CB-CB 4.27Å; E128-Q155 HydrophobicContact CB-CG 3.92Å; E128-Q155 HydrophobicContact CG-CB 4.41Å; E128-Q155 WeakPolarHBondContact O-CG 3.4Å; E128-Q155 PolarHBondContact O-NE2 3.38Å; N152-Q155 HydrophobicContact CB-CB 3.82Å; N152-Q155 PolarHBondContact O-N 2.82Å; N152-Q155 PolarHBondContact OD1-N 3.37Å; Q153-Q155 VanDerWaalsContact C-N 3.28Å; Q153-Q155 PolarHBondContact O-N 3.19Å; Q155-L157 VanDerWaalsContact C-N 3.31Å; Q155-L157 PolarHBondContact O-N 2.91Å; Q155-R158 PolarHBondContact O-N 3.3Å; Q155-E159 PolarHBondContact O-N 3.24Å |
| 156 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.3 | -178.3 | 166.7 | 0 | 0 | 0 | 111.1 | V77 E128 V146 L147 V150 N152 Q153 R158 E159 V160 | V77-I156 HydrophobicContact CG1-CD1 3.85Å; E128-I156 HydrophobicContact CG-CB 4.23Å; V146-I156 HydrophobicContact CG1-CD1 4.29Å; L147-I156 HydrophobicContact CD2-CD1 4.2Å; L147-I156 HydrophobicContact CD2-CG2 3.64Å; V150-I156 HydrophobicContact CG1-CD1 3.84Å; V150-I156 HydrophobicContact CG1-CG2 4.4Å; V150-I156 HydrophobicContact CG2-CG2 4.07Å; N152-I156 PolarHBondContact O-N 3Å; Q153-I156 WeakPolarHBondContact O-CG2 3.17Å; I156-R158 VanDerWaalsContact C-N 3.31Å; I156-R158 PolarHBondContact O-N 3.45Å; I156-E159 PolarHBondContact O-N 3Å; I156-E159 VanDerWaalsContact O-N 3.14Å; I156-V160 HydrophobicContact CG1-CG2 4.2Å; I156-V160 VanDerWaalsContact O-CG2 3.25Å; I156-V160 WeakPolarHBondContact O-CG2 3.41Å; I156-V160 PolarHBondContact O-N 2.92Å |
| 157 | L | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -32.7 | 179.2 | -67.1 | 172.9 | 0 | 0 | 0 | 112.6 | L147 Q153 Q155 V160 C161 F170 T211 L212 A215 F217 | L147-L157 HydrophobicContact CD2-CD2 4.36Å; Q153-L157 WeakPolarHBondContact O-CB 3.4Å; Q153-L157 WeakPolarHBondContact O-CG 3.33Å; Q153-L157 PolarHBondContact O-N 2.83Å; Q155-L157 VanDerWaalsContact C-N 3.31Å; Q155-L157 PolarHBondContact O-N 2.91Å; L157-V160 PolarHBondContact O-N 3.28Å; L157-C161 WeakPolarHBondContact O-CB 3.25Å; L157-C161 PolarHBondContact O-N 3.28Å; L157-F170 HydrophobicContact CD2-CD1 4.14Å; L157-F170 HydrophobicContact CD2-CE1 3.47Å; L157-F170 VanDerWaalsContact CD2-CE1 3.47Å; L157-F170 HydrophobicContact CD2-CZ 4.1Å; L157-T211 HydrophobicContact CD1-CG2 3.7Å; L157-L212 HydrophobicContact CD1-CD2 4.2Å; L157-L212 HydrophobicContact CD2-CD2 3.8Å; L157-A215 HydrophobicContact CB-CB 4.26Å; L157-A215 HydrophobicContact CD1-CB 3.93Å; L157-F217 HydrophobicContact CD2-CE2 4.39Å |
| 158 | R | 98.4 | Very high | 97.8 | Very high | 160 Ų | 160 | 48.1 Ų | 48.1 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.7 | -44.8 | 169.4 | -78.9 | -176.2 | -70.8 | 159.7 | -4.2 | 112.1 | E154 Q155 I156 C161 R162 | E154-R158 WeakPolarHBondContact O-CG 3.28Å; E154-R158 PolarHBondContact O-N 3.37Å; E154-R158 PolarHBondContact O-NE 3.26Å; Q155-R158 PolarHBondContact O-N 3.3Å; I156-R158 VanDerWaalsContact C-N 3.31Å; I156-R158 PolarHBondContact O-N 3.45Å; R158-C161 PolarHBondContact O-N 3.02Å; R158-R162 PolarHBondContact O-N 3.27Å |
| 159 | E | 98.6 | Very high | 97.9 | Very high | 33 Ų | 33 | 48 Ų | 48 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.2 | -77.2 | -69.4 | 94.4 | 0 | 0 | 111.9 | M130 Q155 I156 C161 R162 V163 | M130-E159 VanDerWaalsContact CA-OE2 3.32Å; M130-E159 WeakPolarHBondContact CA-OE2 3.26Å; M130-E159 WeakPolarHBondContact CB-OE2 3.1Å; M130-E159 VanDerWaalsContact CE-C 3.4Å; M130-E159 HydrophobicContact CE-CB 3.4Å; M130-E159 HydrophobicContact CG-CB 4.2Å; M130-E159 PolarHBondContact N-OE2 2.97Å; Q155-E159 PolarHBondContact O-N 3.24Å; I156-E159 PolarHBondContact O-N 3Å; I156-E159 VanDerWaalsContact O-N 3.14Å; E159-C161 VanDerWaalsContact C-N 3.33Å; E159-C161 PolarHBondContact O-N 3.22Å; E159-R162 WeakPolarHBondContact O-CB 3.49Å; E159-R162 PolarHBondContact O-N 2.89Å; E159-R162 VanDerWaalsContact O-N 3.16Å; E159-R162 IonicContact OE1-CZ 3.6Å; E159-R162 IonicContact OE1-NE 3.83Å; E159-R162 PolarHBondContact OE1-NE 3.42Å; E159-R162 IonicContact OE1-NH2 3.08Å; E159-R162 IonicContact OE2-CZ 3.62Å; E159-R162 IonicContact OE2-NE 2.78Å; E159-R162 IonicContact OE2-NH2 3.59Å; E159-R162 PolarHBondContact OE2-NH2 3.48Å; E159-V163 WeakPolarHBondContact O-CG1 3.21Å; E159-V163 WeakPolarHBondContact O-CG2 3.37Å; E159-V163 PolarHBondContact O-N 3.38Å |
| 160 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56 | -49.7 | 172.6 | 168.2 | 0 | 0 | 0 | 0 | 110.1 | M130 V141 I156 L157 R162 V163 L164 F170 F217 | M130-V160 HydrophobicContact CE-CG2 4.12Å; V141-V160 HydrophobicContact CB-CG1 4.12Å; V141-V160 HydrophobicContact CG1-CG1 4.26Å; V141-V160 HydrophobicContact CG1-CG2 4.01Å; V141-V160 HydrophobicContact CG2-CG1 4.29Å; I156-V160 HydrophobicContact CG1-CG2 4.2Å; I156-V160 VanDerWaalsContact O-CG2 3.25Å; I156-V160 WeakPolarHBondContact O-CG2 3.41Å; I156-V160 PolarHBondContact O-N 2.92Å; L157-V160 PolarHBondContact O-N 3.28Å; V160-R162 VanDerWaalsContact C-N 3.34Å; V160-R162 PolarHBondContact O-N 3.05Å; V160-V163 WeakPolarHBondContact O-CG2 3.26Å; V160-L164 HydrophobicContact CG1-CD1 3.87Å; V160-L164 WeakPolarHBondContact O-CB 3.41Å; V160-L164 VanDerWaalsContact O-CG 3.25Å; V160-L164 WeakPolarHBondContact O-CG 3.32Å; V160-L164 PolarHBondContact O-N 3.48Å; V160-L164 VanDerWaalsContact O-N 3.14Å; V160-F170 HydrophobicContact CG1-CB 3.73Å; V160-F170 HydrophobicContact CG1-CD1 4.13Å; V160-F170 HydrophobicContact CG1-CD2 3.64Å; V160-F170 HydrophobicContact CG1-CE2 4.3Å; V160-F170 HydrophobicContact CG1-CG 3.56Å; V160-F170 HydrophobicContact CG2-CD2 4.4Å; V160-F170 HydrophobicContact CG2-CE2 4.29Å; V160-F217 HydrophobicContact CG1-CZ 4.21Å |
| 161 | C | 98.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.8 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | L157 R158 E159 K244 | L157-C161 WeakPolarHBondContact O-CB 3.25Å; L157-C161 PolarHBondContact O-N 3.28Å; R158-C161 PolarHBondContact O-N 3.02Å; E159-C161 VanDerWaalsContact C-N 3.33Å; E159-C161 PolarHBondContact O-N 3.22Å; C161-K244 VanDerWaalsContact O-CD 3.25Å; C161-K244 WeakPolarHBondContact O-CD 3.2Å; C161-K244 WeakPolarHBondContact O-CE 3.21Å; C161-K244 PolarHBondContact O-NZ 2.91Å |
| 162 | R | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -50.6 | 178.6 | -175.8 | -174.6 | 61.8 | 74.6 | 1.4 | 112.3 | M130 V133 D135 G136 R158 E159 V160 | M130-R162 VanDerWaalsContact C-NH2 3.34Å; M130-R162 PolarHBondContact O-NH2 3.31Å; V133-R162 PolarHBondContact O-NH1 3.17Å; V133-R162 PolarHBondContact O-NH2 2.95Å; D135-R162 WeakPolarHBondContact CA-O 3.47Å; D135-R162 HydrophobicContact CB-CG 4.25Å; D135-R162 VanDerWaalsContact CG-CG 3.44Å; D135-R162 VanDerWaalsContact OD1-CD 3.32Å; D135-R162 WeakPolarHBondContact OD1-CD 3.44Å; D135-R162 WeakPolarHBondContact OD1-CG 3.1Å; D135-R162 IonicContact OD1-CZ 2.76Å; D135-R162 IonicContact OD1-NE 2.65Å; D135-R162 IonicContact OD1-NH1 3.56Å; D135-R162 PolarHBondContact OD1-NH1 2.84Å; D135-R162 WeakPolarHBondContact OD2-CG 3.46Å; G136-R162 PolarHBondContact N-O 3.12Å; R158-R162 PolarHBondContact O-N 3.27Å; E159-R162 WeakPolarHBondContact O-CB 3.49Å; E159-R162 PolarHBondContact O-N 2.89Å; E159-R162 VanDerWaalsContact O-N 3.16Å; E159-R162 IonicContact OE1-CZ 3.6Å; E159-R162 IonicContact OE1-NE 3.83Å; E159-R162 PolarHBondContact OE1-NE 3.42Å; E159-R162 IonicContact OE1-NH2 3.08Å; E159-R162 IonicContact OE2-CZ 3.62Å; E159-R162 IonicContact OE2-NE 2.78Å; E159-R162 IonicContact OE2-NH2 3.59Å; E159-R162 PolarHBondContact OE2-NH2 3.48Å; V160-R162 VanDerWaalsContact C-N 3.34Å; V160-R162 PolarHBondContact O-N 3.05Å |
| 163 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74 | -27.2 | -174.1 | -58.8 | 0 | 0 | 0 | 0 | 113 | L75 M130 V133 G136 S137 V138 V141 E159 V160 | L75-V163 HydrophobicContact CD2-CG2 3.88Å; M130-V163 HydrophobicContact CB-CG1 4.39Å; M130-V163 HydrophobicContact CE-CG1 4.41Å; M130-V163 HydrophobicContact CE-CG2 4.1Å; V133-V163 HydrophobicContact CB-CG1 3.91Å; V133-V163 HydrophobicContact CG1-CB 3.92Å; V133-V163 HydrophobicContact CG1-CG1 3.69Å; G136-V163 CarbonylContact C-O 3.54Å; G136-V163 WeakPolarHBondContact CA-O 3.41Å; G136-V163 PolarHBondContact N-O 3.37Å; S137-V163 PolarHBondContact N-O 3.18Å; V138-V163 HydrophobicContact CG2-CB 4.16Å; V138-V163 HydrophobicContact CG2-CG2 3.9Å; V138-V163 WeakPolarHBondContact CG2-O 3.36Å; V138-V163 PolarHBondContact N-O 2.85Å; V138-V163 VanDerWaalsContact N-O 3.16Å; V141-V163 HydrophobicContact CG2-CG2 3.66Å; E159-V163 WeakPolarHBondContact O-CG1 3.21Å; E159-V163 WeakPolarHBondContact O-CG2 3.37Å; E159-V163 PolarHBondContact O-N 3.38Å; V160-V163 WeakPolarHBondContact O-CG2 3.26Å |
| 164 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.8 | 175.2 | -78.8 | 171.7 | 0 | 0 | 0 | 111.2 | G136 V138 V141 V160 A169 F170 F217 K244 | G136-L164 WeakPolarHBondContact CA-O 3.49Å; V138-L164 HydrophobicContact CG2-CD2 4.33Å; V141-L164 HydrophobicContact CB-CD2 4.37Å; V141-L164 HydrophobicContact CG2-CD1 4.45Å; V141-L164 HydrophobicContact CG2-CD2 3.75Å; V141-L164 HydrophobicContact CG2-CG 3.76Å; V160-L164 HydrophobicContact CG1-CD1 3.87Å; V160-L164 WeakPolarHBondContact O-CB 3.41Å; V160-L164 VanDerWaalsContact O-CG 3.25Å; V160-L164 WeakPolarHBondContact O-CG 3.32Å; V160-L164 PolarHBondContact O-N 3.48Å; V160-L164 VanDerWaalsContact O-N 3.14Å; L164-A169 WeakPolarHBondContact CD2-O 3.23Å; L164-F170 HydrophobicContact CD1-CB 4.05Å; L164-F217 HydrophobicContact CD1-CE1 4.47Å; L164-K244 HydrophobicContact CB-CB 4.3Å; L164-K244 HydrophobicContact CB-CD 3.8Å; L164-K244 HydrophobicContact CD1-CB 4.4Å; L164-K244 VanDerWaalsContact O-CD 3.28Å; L164-K244 WeakPolarHBondContact O-CD 3.46Å; L164-K244 PolarHBondContact O-NZ 3.05Å |
| 165 | R | 97.8 | Very high | 98.2 | Very high | 52 Ų | 52 | 27.3 Ų | 27.3 | 20% | 0.196 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 156.4 | 164.7 | 69.5 | 171 | -178.5 | 79.8 | -1.3 | 110.6 | F65 G136 V138 D139 G167 G168 | F65-R165 PolarHBondContact O-NH2 3.1Å; G136-R165 WeakPolarHBondContact O-CB 3.4Å; V138-R165 PolarHBondContact O-N 2.87Å; D139-R165 VanDerWaalsContact OD1-CD 3.27Å; D139-R165 WeakPolarHBondContact OD1-CD 3.29Å; D139-R165 IonicContact OD1-CZ 3.52Å; D139-R165 IonicContact OD1-NE 3.9Å; D139-R165 PolarHBondContact OD1-NE 3.2Å; D139-R165 IonicContact OD1-NH2 3.72Å; R165-G167 PolarHBondContact O-N 2.96Å; R165-G168 PolarHBondContact O-N 3.24Å |
| 166 | P | 97.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 23.7 Ų | 23.7 | 66% | 0.662 | 12% | 0.122 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 131.9 | 167.2 | -25 | 35 | 0 | 0 | 0 | 111.2 | G168 | P166-G168 PolarHBondContact O-N 3.11Å |
| 167 | G | 96.9 | Very high | 98.1 | Very high | 34 Ų | 34 | 24.3 Ų | 24.3 | 35% | 0.351 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.1 | 6.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R165 K244 | R165-G167 PolarHBondContact O-N 2.96Å; G167-K244 WeakPolarHBondContact CA-O 3.15Å; G167-K244 PolarHBondContact N-O 3.27Å |
| 168 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 166.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | D139 R165 P166 K244 | D139-G168 CarbonylContact O-C 3.39Å; D139-G168 WeakPolarHBondContact O-CA 3.5Å; R165-G168 PolarHBondContact O-N 3.24Å; P166-G168 PolarHBondContact O-N 3.11Å; G168-K244 PolarHBondContact O-N 3.32Å |
| 169 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F65 D139 V140 V141 L164 Y171 A242 | F65-A169 HydrophobicContact CB-CB 4.35Å; F65-A169 HydrophobicContact CD1-CB 3.54Å; F65-A169 HydrophobicContact CD2-CB 3.74Å; F65-A169 HydrophobicContact CE1-CB 3.63Å; F65-A169 HydrophobicContact CE2-CB 3.83Å; F65-A169 HydrophobicContact CG-CB 3.59Å; F65-A169 HydrophobicContact CZ-CB 3.77Å; D139-A169 PolarHBondContact O-N 3.16Å; V140-A169 CarbonylContact C-O 3.22Å; V140-A169 WeakPolarHBondContact CA-O 3.21Å; V140-A169 HydrophobicContact CG2-CB 4.48Å; V141-A169 PolarHBondContact N-O 3.45Å; L164-A169 WeakPolarHBondContact CD2-O 3.23Å; A169-Y171 HydrophobicContact CB-CD2 4.18Å; A169-Y171 HydrophobicContact CB-CE2 3.67Å; A169-A242 CarbonylContact C-O 3.56Å; A169-A242 VanDerWaalsContact CA-O 3.25Å; A169-A242 WeakPolarHBondContact CA-O 3.37Å |
| 170 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.4 | 172.2 | 173.2 | -134.2 | 0 | 0 | 0 | 110.4 | V141 C143 L147 L157 V160 L164 F172 L212 F217 Y241 A242 | V141-F170 HydrophobicContact CB-CD2 4.04Å; V141-F170 HydrophobicContact CG1-CD2 4.03Å; V141-F170 HydrophobicContact CG1-CE2 4.29Å; V141-F170 CarbonylContact O-C 3.1Å; V141-F170 WeakPolarHBondContact O-CA 3.25Å; V141-F170 WeakPolarHBondContact O-CD2 3.49Å; C143-F170 HydrophobicContact CB-CE2 3.6Å; C143-F170 HydrophobicContact CB-CZ 3.79Å; C143-F170 WeakPolarHBondContact SG-CE2 3.45Å; L147-F170 HydrophobicContact CD1-CE1 4.38Å; L147-F170 HydrophobicContact CD1-CZ 4.15Å; L157-F170 HydrophobicContact CD2-CD1 4.14Å; L157-F170 HydrophobicContact CD2-CE1 3.47Å; L157-F170 VanDerWaalsContact CD2-CE1 3.47Å; L157-F170 HydrophobicContact CD2-CZ 4.1Å; V160-F170 HydrophobicContact CG1-CB 3.73Å; V160-F170 HydrophobicContact CG1-CD1 4.13Å; V160-F170 HydrophobicContact CG1-CD2 3.64Å; V160-F170 HydrophobicContact CG1-CE2 4.3Å; V160-F170 HydrophobicContact CG1-CG 3.56Å; V160-F170 HydrophobicContact CG2-CD2 4.4Å; V160-F170 HydrophobicContact CG2-CE2 4.29Å; L164-F170 HydrophobicContact CD1-CB 4.05Å; F170-F172 HydrophobicContact CD1-CD1 4.11Å; F170-F172 HydrophobicContact CE1-CB 4.2Å; F170-F172 AromaticContact CE1-CD1 3.98Å; F170-F172 HydrophobicContact CE1-CD1 3.98Å; F170-F172 HydrophobicContact CE1-CG 4.46Å; F170-F172 HydrophobicContact CZ-CB 3.98Å; F170-L212 HydrophobicContact CD1-CD2 4.26Å; F170-L212 HydrophobicContact CE1-CD2 3.62Å; F170-F217 HydrophobicContact CB-CE1 4.13Å; F170-F217 HydrophobicContact CB-CZ 4.08Å; F170-F217 HydrophobicContact CD1-CE2 4.06Å; F170-F217 AromaticContact CD1-CZ 3.79Å; F170-F217 HydrophobicContact CD1-CZ 3.79Å; F170-F217 HydrophobicContact CG-CZ 4.27Å; F170-Y241 CarbonylContact O-C 3.56Å; F170-Y241 WeakPolarHBondContact O-CA 3.49Å; F170-Y241 WeakPolarHBondContact O-CB 3.38Å; F170-A242 PolarHBondContact N-O 3.01Å; F170-A242 PolarHBondContact O-N 3.1Å |
| 171 | Y | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.7 | 177.4 | -74.9 | -105.4 | 0 | 0 | 0 | 111 | L58 F59 N61 L62 F65 V140 V141 V142 C143 A169 Y241 | L58-Y171 HydrophobicContact CD1-CD1 3.72Å; L58-Y171 HydrophobicContact CD1-CE1 4.39Å; L58-Y171 HydrophobicContact CG-CD1 4.03Å; L58-Y171 WeakPolarHBondContact O-CD1 3.34Å; L58-Y171 WeakPolarHBondContact O-CE1 3.43Å; F59-Y171 HydrophobicContact CD1-CD1 4.34Å; N61-Y171 PolarHBondContact ND2-OH 3.38Å; N61-Y171 WeakPolarHBondContact OD1-CE1 3.44Å; N61-Y171 PolarHBondContact OD1-OH 2.86Å; L62-Y171 HydrophobicContact CD2-CD1 4.41Å; L62-Y171 HydrophobicContact CD2-CD2 3.79Å; L62-Y171 HydrophobicContact CD2-CE1 4.23Å; L62-Y171 HydrophobicContact CD2-CE2 3.56Å; L62-Y171 HydrophobicContact CD2-CG 4.19Å; F65-Y171 HydrophobicContact CD2-CE2 4.03Å; F65-Y171 VanDerWaalsContact CD2-OH 3.26Å; F65-Y171 WeakPolarHBondContact CD2-OH 3.22Å; F65-Y171 HydrophobicContact CE2-CE2 4.17Å; F65-Y171 AromaticContact CE2-CZ 3.96Å; F65-Y171 WeakPolarHBondContact CE2-OH 3.41Å; V140-Y171 HydrophobicContact CG1-CD2 3.69Å; V140-Y171 HydrophobicContact CG1-CE2 4.13Å; V140-Y171 HydrophobicContact CG2-CE2 4.23Å; V141-Y171 PolarHBondContact O-N 3.34Å; V142-Y171 WeakPolarHBondContact CA-O 3.36Å; C143-Y171 PolarHBondContact N-O 3.49Å; A169-Y171 HydrophobicContact CB-CD2 4.18Å; A169-Y171 HydrophobicContact CB-CE2 3.67Å; Y171-Y241 HydrophobicContact CE1-CD1 4.01Å; Y171-Y241 HydrophobicContact CE1-CG 4.13Å |
| 172 | F | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.5 | -178.8 | 58.6 | -91.6 | 0 | 0 | 0 | 113.4 | C143 F170 L212 L220 L222 I238 Y239 G240 | C143-F172 WeakPolarHBondContact O-CA 3.25Å; F170-F172 HydrophobicContact CD1-CD1 4.11Å; F170-F172 HydrophobicContact CE1-CB 4.2Å; F170-F172 AromaticContact CE1-CD1 3.98Å; F170-F172 HydrophobicContact CE1-CD1 3.98Å; F170-F172 HydrophobicContact CE1-CG 4.46Å; F170-F172 HydrophobicContact CZ-CB 3.98Å; F172-L212 HydrophobicContact CD1-CD1 4.22Å; F172-L212 HydrophobicContact CD1-CD2 4.18Å; F172-L212 HydrophobicContact CD2-CD1 3.75Å; F172-L212 HydrophobicContact CE1-CD1 4.14Å; F172-L212 HydrophobicContact CE1-CD2 4.35Å; F172-L212 HydrophobicContact CE2-CD1 3.68Å; F172-L212 HydrophobicContact CG-CD1 4.04Å; F172-L212 HydrophobicContact CZ-CD1 3.88Å; F172-L220 HydrophobicContact CE1-CD1 3.85Å; F172-L220 HydrophobicContact CZ-CD1 3.89Å; F172-L222 HydrophobicContact CE2-CD1 4.08Å; F172-L222 HydrophobicContact CE2-CG 4.09Å; F172-L222 HydrophobicContact CZ-CB 4.13Å; F172-L222 HydrophobicContact CZ-CD1 4.03Å; F172-L222 HydrophobicContact CZ-CG 4.1Å; F172-I238 HydrophobicContact CD2-CD1 4.32Å; F172-I238 HydrophobicContact CD2-CG1 4.29Å; F172-I238 HydrophobicContact CE2-CD1 4.25Å; F172-I238 HydrophobicContact CE2-CG1 4.33Å; F172-Y239 CarbonylContact O-C 3.49Å; F172-Y239 WeakPolarHBondContact O-CA 3.36Å; F172-G240 PolarHBondContact N-O 3.49Å; F172-G240 PolarHBondContact O-N 3.18Å |
| 173 | M | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 113.6 | 168.2 | 178.4 | 178.4 | -72.1 | 0 | 0 | 108.7 | Y47 M51 K54 K55 L58 C143 T144 L145 I238 Y239 | Y47-M173 HydrophobicContact CE1-SD 4.31Å; Y47-M173 PolarHBondContact OH-SD 3.16Å; Y47-M173 VanDerWaalsContact OH-SD 3.38Å; M51-M173 HydrophobicContact CE-CE 3.89Å; M51-M173 HydrophobicContact CE-CG 4.35Å; M51-M173 HydrophobicContact CE-SD 3.52Å; M51-M173 VanDerWaalsContact CE-SD 3.52Å; K54-M173 HydrophobicContact CB-CE 4.18Å; K55-M173 HydrophobicContact CG-CE 3.84Å; K55-M173 HydrophobicContact CG-SD 4.05Å; L58-M173 HydrophobicContact CD2-CB 4.02Å; L58-M173 HydrophobicContact CD2-CE 3.83Å; C143-M173 PolarHBondContact O-N 3.15Å; T144-M173 CarbonylContact C-O 3.58Å; T144-M173 VanDerWaalsContact CA-O 3.25Å; T144-M173 WeakPolarHBondContact CA-O 3.34Å; T144-M173 HydrophobicContact CG2-CB 3.9Å; L145-M173 PolarHBondContact N-O 3.23Å; M173-I238 CarbonylContact C-O 3.53Å; M173-I238 WeakPolarHBondContact CA-O 3.47Å; M173-Y239 HydrophobicContact CE-CD2 4.23Å; M173-Y239 HydrophobicContact CE-CG 4.41Å |
| 174 | E | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.5 | -169.8 | -63.7 | -68.3 | 153.8 | 0 | 0 | 109.7 | L145 V146 L147 C148 V176 H237 I238 | L145-E174 WeakPolarHBondContact CA-OE2 3.3Å; L145-E174 PolarHBondContact N-OE1 3.42Å; L145-E174 VanDerWaalsContact N-OE1 3.16Å; V146-E174 PolarHBondContact N-OE1 2.92Å; V146-E174 PolarHBondContact N-OE2 3.3Å; V146-E174 VanDerWaalsContact N-OE2 3.1Å; L147-E174 HydrophobicContact CB-CG 3.94Å; L147-E174 HydrophobicContact CD1-CG 4.18Å; L147-E174 HydrophobicContact CG-CG 4.31Å; L147-E174 VanDerWaalsContact N-CD 3.28Å; L147-E174 PolarHBondContact N-OE1 2.81Å; L147-E174 PolarHBondContact N-OE2 2.82Å; L147-E174 VanDerWaalsContact N-OE2 3.15Å; C148-E174 PolarHBondContact N-OE2 3.01Å; E174-V176 HydrophobicContact CB-CG1 4.37Å; E174-H237 VanDerWaalsContact C-CD2 3.5Å; E174-H237 CarbonylContact O-C 3.49Å; E174-H237 WeakPolarHBondContact O-CA 3.5Å; E174-H237 WeakPolarHBondContact O-CB 3.17Å; E174-H237 PolarHBondContact O-CD2 3.4Å; E174-I238 HydrophobicContact CB-CD1 4.46Å; E174-I238 HydrophobicContact CB-CG1 3.98Å; E174-I238 PolarHBondContact N-O 2.76Å; E174-I238 PolarHBondContact O-N 3.42Å |
| 175 | H | 96.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 154 | 158.4 | 78.8 | 85 | 0 | 0 | 0 | 108.6 | C148 C202 I203 V234 P236 H237 | C148-H175 WeakPolarHBondContact CB-NE2 2.85Å; C148-H175 PolarHBondContact SG-NE2 2.83Å; H175-C202 PolarHBondContact CE1-SG 3.43Å; H175-C202 PolarHBondContact NE2-SG 2.79Å; H175-I203 PolarHBondContact CE1-O 3.45Å; H175-V234 HydrophobicContact CB-CB 4.12Å; H175-P236 CarbonylContact C-O 3.49Å; H175-P236 VanDerWaalsContact CA-O 3.26Å; H175-P236 WeakPolarHBondContact CA-O 3.46Å; H175-H237 VanDerWaalsContact CB-CE1 3.46Å; H175-H237 WeakPolarHBondContact CB-CE1 3.3Å |
| 176 | V | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | trans | -144.5 | 172.7 | -175.6 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | E174 A178 Q188 R206 W209 P236 I238 | E174-V176 HydrophobicContact CB-CG1 4.37Å; V176-A178 PolarHBondContact O-N 2.92Å; V176-Q188 PolarHBondContact O-NE2 3.44Å; V176-R206 CarbonylContact C-O 3.56Å; V176-R206 WeakPolarHBondContact CA-O 3.41Å; V176-W209 HydrophobicContact CB-CE3 3.7Å; V176-W209 HydrophobicContact CB-CZ3 3.54Å; V176-W209 HydrophobicContact CG1-CE3 3.96Å; V176-W209 HydrophobicContact CG1-CZ3 4.31Å; V176-W209 HydrophobicContact CG2-CE3 3.81Å; V176-W209 HydrophobicContact CG2-CZ3 3.57Å; V176-P236 HydrophobicContact CG2-CB 4.27Å; V176-P236 PolarHBondContact N-O 2.92Å; V176-I238 HydrophobicContact CG1-CB 4.3Å; V176-I238 HydrophobicContact CG1-CD1 3.82Å; V176-I238 HydrophobicContact CG1-CG1 3.63Å; V176-I238 HydrophobicContact CG1-CG2 3.96Å; V176-I238 HydrophobicContact CG2-CG2 4.05Å | ||
| 177 | A | 97.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 136.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | R206 E207 W209 | A177-R206 PolarHBondContact N-O 2.78Å; A177-E207 HydrophobicContact CB-CG 3.78Å; A177-W209 HydrophobicContact CB-CH2 4.13Å; A177-W209 HydrophobicContact CB-CZ3 4.28Å |
| 178 | A | 95.8 | Very high | 95.5 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 161.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V176 R180 T182 N184 P236 | V176-A178 PolarHBondContact O-N 2.92Å; A178-R180 PolarHBondContact O-N 2.89Å; A178-T182 WeakPolarHBondContact CB-OG1 3.26Å; A178-N184 HydrophobicContact CB-CB 3.58Å; A178-P236 HydrophobicContact CB-CB 4.46Å; A178-P236 HydrophobicContact CB-CG 3.66Å |
| 179 | E | 92.8 | Very high | 95.4 | Very high | 146 Ų | 146 | 44.8 Ų | 44.8 | 68% | 0.682 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -57.3 | 135.3 | 170.2 | -70.2 | 177.6 | -159.3 | 0 | 0 | 110.7 | S181 T182 S185 | E179-S181 PolarHBondContact O-N 3.5Å; E179-T182 HydrophobicContact CB-CG2 3.89Å; E179-T182 WeakPolarHBondContact O-CB 3.28Å; E179-T182 PolarHBondContact O-N 3.44Å; E179-T182 PolarHBondContact O-OG1 2.84Å; E179-S185 WeakPolarHBondContact O-CB 3.36Å |
| 180 | R | 89.6 | Confident | 95.3 | Very high | 201 Ų | 201 | 44.9 Ų | 44.9 | 76% | 0.758 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31 | -168.2 | -73.5 | -171.5 | 175.5 | -154.6 | -1.8 | 114.2 | A178 T182 S185 | A178-R180 PolarHBondContact O-N 2.89Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 2.82Å; R180-S185 WeakPolarHBondContact CA-OG 3.48Å; R180-S185 PolarHBondContact O-OG 3.38Å |
| 181 | S | 89.9 | Confident | 95.1 | Very high | 113 Ų | 113 | 47.2 Ų | 47.2 | 79% | 0.79 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -1.2 | -179.3 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | E179 | E179-S181 PolarHBondContact O-N 3.5Š|
| 182 | T | 92.2 | Very high | 94.9 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 30% | 0.301 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -95.5 | 155.6 | -175.9 | 66 | 0 | 0 | 0 | 0 | 113 | A178 E179 R180 N184 S185 F186 | A178-T182 WeakPolarHBondContact CB-OG1 3.26Å; E179-T182 HydrophobicContact CB-CG2 3.89Å; E179-T182 WeakPolarHBondContact O-CB 3.28Å; E179-T182 PolarHBondContact O-N 3.44Å; E179-T182 PolarHBondContact O-OG1 2.84Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 2.82Å; T182-N184 PolarHBondContact O-N 3.06Å; T182-S185 WeakPolarHBondContact O-CB 3.26Å; T182-S185 PolarHBondContact O-N 3.21Å; T182-S185 VanDerWaalsContact O-N 3.16Å; T182-S185 PolarHBondContact OG1-N 3.48Å; T182-F186 PolarHBondContact O-N 2.9Å |
| 183 | W | 92.1 | Very high | 94.7 | Very high | 189 Ų | 189 | 49.8 Ų | 49.8 | 72% | 0.716 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.7 | -29.6 | 169.4 | -78.9 | 111.6 | 0 | 0 | 0 | 113 | F186 W187 | W183-F186 HydrophobicContact CE3-CB 4.31Å; W183-F186 HydrophobicContact CE3-CD1 4.04Å; W183-F186 HydrophobicContact CE3-CG 4.25Å; W183-F186 HydrophobicContact CZ3-CD1 4.07Å; W183-F186 HydrophobicContact CZ3-CE1 4.34Å; W183-F186 HydrophobicContact CZ3-CG 4.33Å; W183-F186 WeakPolarHBondContact O-CB 3.3Å; W183-F186 PolarHBondContact O-N 2.87Å; W183-W187 PolarHBondContact O-N 2.98Å |
| 184 | N | 93 | Very high | 94.5 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 14% | 0.139 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 176 | -67.9 | -1.4 | 0 | 0 | 0 | 110.6 | A178 T182 F186 W187 Q188 E232 | A178-N184 HydrophobicContact CB-CB 3.58Å; T182-N184 PolarHBondContact O-N 3.06Å; N184-F186 VanDerWaalsContact C-N 3.31Å; N184-F186 PolarHBondContact O-N 3Å; N184-W187 PolarHBondContact O-N 2.65Å; N184-Q188 VanDerWaalsContact O-CB 3.31Å; N184-Q188 WeakPolarHBondContact O-CB 3.16Å; N184-Q188 WeakPolarHBondContact O-CG 3.25Å; N184-Q188 PolarHBondContact O-N 2.96Å; N184-E232 PolarHBondContact ND2-O 3.04Å; N184-E232 WeakPolarHBondContact OD1-CG 3.29Å |
| 185 | S | 94.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 175.1 | 158.2 | 0 | 0 | 0 | 0 | 111.5 | E179 R180 T182 Q189 | E179-S185 WeakPolarHBondContact O-CB 3.36Å; R180-S185 WeakPolarHBondContact CA-OG 3.48Å; R180-S185 PolarHBondContact O-OG 3.38Å; T182-S185 WeakPolarHBondContact O-CB 3.26Å; T182-S185 PolarHBondContact O-N 3.21Å; T182-S185 VanDerWaalsContact O-N 3.16Å; T182-S185 PolarHBondContact OG1-N 3.48Å; S185-Q189 VanDerWaalsContact O-CG 3.29Å; S185-Q189 WeakPolarHBondContact O-CG 3.48Å; S185-Q189 PolarHBondContact O-N 3.49Å; S185-Q189 PolarHBondContact O-NE2 3.47Å; S185-Q189 PolarHBondContact OG-NE2 2.84Å; S185-Q189 VanDerWaalsContact OG-NE2 3.17Å |
| 186 | F | 94.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.3 | -52.7 | 175.8 | 175.1 | -92.2 | 0 | 0 | 0 | 111.7 | M1 T4 I5 L8 T182 W183 N184 Q189 V190 | M1-F186 HydrophobicContact CG-CD2 3.81Å; M1-F186 HydrophobicContact CG-CE2 4.08Å; M1-F186 HydrophobicContact SD-CD2 4.09Å; T4-F186 HydrophobicContact CG2-CE2 4.38Å; T4-F186 HydrophobicContact CG2-CZ 4.1Å; I5-F186 HydrophobicContact CD1-CD2 3.95Å; I5-F186 HydrophobicContact CD1-CE2 4.23Å; I5-F186 HydrophobicContact CG1-CD2 3.69Å; I5-F186 HydrophobicContact CG1-CE2 3.48Å; I5-F186 VanDerWaalsContact CG1-CE2 3.48Å; I5-F186 HydrophobicContact CG1-CZ 4.36Å; L8-F186 HydrophobicContact CD1-CE1 3.95Å; L8-F186 HydrophobicContact CD1-CZ 3.63Å; T182-F186 PolarHBondContact O-N 2.9Å; W183-F186 HydrophobicContact CE3-CB 4.31Å; W183-F186 HydrophobicContact CE3-CD1 4.04Å; W183-F186 HydrophobicContact CE3-CG 4.25Å; W183-F186 HydrophobicContact CZ3-CD1 4.07Å; W183-F186 HydrophobicContact CZ3-CE1 4.34Å; W183-F186 HydrophobicContact CZ3-CG 4.33Å; W183-F186 WeakPolarHBondContact O-CB 3.3Å; W183-F186 PolarHBondContact O-N 2.87Å; N184-F186 VanDerWaalsContact C-N 3.31Å; N184-F186 PolarHBondContact O-N 3Å; F186-Q189 PolarHBondContact O-N 3.44Å; F186-V190 HydrophobicContact CD1-CG2 4.36Å; F186-V190 HydrophobicContact CE1-CG2 4.01Å; F186-V190 HydrophobicContact CE2-CG2 4.49Å; F186-V190 HydrophobicContact CZ-CG2 4.09Å; F186-V190 WeakPolarHBondContact O-CG2 3.38Å; F186-V190 PolarHBondContact O-N 3.28Å |
| 187 | W | 95.1 | Very high | 94.2 | Very high | 113 Ų | 113 | 53.8 Ų | 53.8 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.7 | -35.9 | -178.7 | -75.7 | 116.2 | 0 | 0 | 0 | 113.4 | L8 W183 N184 Q189 V190 L191 M233 | L8-W187 HydrophobicContact CD1-CZ3 4.44Å; W183-W187 PolarHBondContact O-N 2.98Å; N184-W187 PolarHBondContact O-N 2.65Å; W187-Q189 VanDerWaalsContact C-N 3.33Å; W187-Q189 PolarHBondContact O-N 3.3Å; W187-V190 HydrophobicContact CE3-CB 4.14Å; W187-V190 HydrophobicContact CE3-CG1 4.01Å; W187-V190 HydrophobicContact CZ3-CG1 4Å; W187-V190 PolarHBondContact O-N 3Å; W187-L191 HydrophobicContact CE3-CD1 4.48Å; W187-L191 WeakPolarHBondContact O-CB 3.28Å; W187-L191 PolarHBondContact O-N 3.44Å; W187-M233 HydrophobicContact CB-CG 4.05Å; W187-M233 HydrophobicContact CB-SD 4.37Å |
| 188 | Q | 96.2 | Very high | 94 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.6 | -51.2 | 171.4 | -77.1 | -178.8 | -22.9 | 0 | 0 | 110 | V176 N184 V190 L191 D192 L204 T205 M233 | V176-Q188 PolarHBondContact O-NE2 3.44Å; N184-Q188 VanDerWaalsContact O-CB 3.31Å; N184-Q188 WeakPolarHBondContact O-CB 3.16Å; N184-Q188 WeakPolarHBondContact O-CG 3.25Å; N184-Q188 PolarHBondContact O-N 2.96Å; Q188-V190 VanDerWaalsContact C-N 3.33Å; Q188-V190 PolarHBondContact O-N 2.99Å; Q188-L191 PolarHBondContact O-N 3.29Å; Q188-D192 VanDerWaalsContact O-CB 3.22Å; Q188-D192 WeakPolarHBondContact O-CB 3.43Å; Q188-D192 PolarHBondContact O-N 3.02Å; Q188-L204 HydrophobicContact CB-CB 4.03Å; Q188-L204 HydrophobicContact CB-CD1 4.49Å; Q188-L204 HydrophobicContact CG-CB 4.01Å; Q188-L204 HydrophobicContact CG-CD1 4.41Å; Q188-L204 PolarHBondContact NE2-O 2.88Å; Q188-T205 HydrophobicContact CB-CG2 4.15Å; Q188-M233 HydrophobicContact CG-CB 4.34Å; Q188-M233 PolarHBondContact NE2-O 3.38Å |
| 189 | Q | 95.5 | Very high | 93.9 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 178.1 | -71.7 | 177.3 | 73 | 0 | 0 | 112.8 | I5 R9 S185 F186 W187 T205 | I5-Q189 HydrophobicContact CD1-CB 4.36Å; I5-Q189 HydrophobicContact CG2-CB 4.31Å; R9-Q189 PolarHBondContact NE-O 3.47Å; R9-Q189 PolarHBondContact NH2-O 2.94Å; S185-Q189 VanDerWaalsContact O-CG 3.29Å; S185-Q189 WeakPolarHBondContact O-CG 3.48Å; S185-Q189 PolarHBondContact O-N 3.49Å; S185-Q189 PolarHBondContact O-NE2 3.47Å; S185-Q189 PolarHBondContact OG-NE2 2.84Å; S185-Q189 VanDerWaalsContact OG-NE2 3.17Å; F186-Q189 PolarHBondContact O-N 3.44Å; W187-Q189 VanDerWaalsContact C-N 3.33Å; W187-Q189 PolarHBondContact O-N 3.3Å; Q189-T205 HydrophobicContact CG-CG2 4.03Å |
| 190 | V | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | -180 | 168.1 | 0 | 0 | 0 | 0 | 111.7 | I5 L8 I12 F186 W187 Q188 | I5-V190 HydrophobicContact CB-CG2 4.35Å; I5-V190 HydrophobicContact CG1-CG2 4.14Å; I5-V190 HydrophobicContact CG2-CG2 4.13Å; L8-V190 HydrophobicContact CB-CG1 3.74Å; L8-V190 HydrophobicContact CB-CG2 4.19Å; L8-V190 HydrophobicContact CD1-CG1 4.31Å; L8-V190 HydrophobicContact CD1-CG2 4Å; I12-V190 HydrophobicContact CD1-CG1 3.32Å; I12-V190 VanDerWaalsContact CD1-O 3.29Å; I12-V190 WeakPolarHBondContact CD1-O 3.43Å; F186-V190 HydrophobicContact CD1-CG2 4.36Å; F186-V190 HydrophobicContact CE1-CG2 4.01Å; F186-V190 HydrophobicContact CE2-CG2 4.49Å; F186-V190 HydrophobicContact CZ-CG2 4.09Å; F186-V190 WeakPolarHBondContact O-CG2 3.38Å; F186-V190 PolarHBondContact O-N 3.28Å; W187-V190 HydrophobicContact CE3-CB 4.14Å; W187-V190 HydrophobicContact CE3-CG1 4.01Å; W187-V190 HydrophobicContact CZ3-CG1 4Å; W187-V190 PolarHBondContact O-N 3Å; Q188-V190 VanDerWaalsContact C-N 3.33Å; Q188-V190 PolarHBondContact O-N 2.99Å |
| 191 | L | 95.6 | Very high | 94 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 26% | 0.257 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -95.5 | -20.3 | -172.2 | -68.2 | 161.8 | 0 | 0 | 0 | 114.4 | I12 W187 Q188 P193 V194 W195 L204 M233 | I12-L191 HydrophobicContact CD1-CD2 3.71Å; I12-L191 HydrophobicContact CD1-CG 4.32Å; W187-L191 HydrophobicContact CE3-CD1 4.48Å; W187-L191 WeakPolarHBondContact O-CB 3.28Å; W187-L191 PolarHBondContact O-N 3.44Å; Q188-L191 PolarHBondContact O-N 3.29Å; L191-P193 VanDerWaalsContact C-N 3.29Å; L191-P193 VanDerWaalsContact O-N 3.12Å; L191-V194 PolarHBondContact O-N 2.81Å; L191-W195 HydrophobicContact CB-CE3 4.41Å; L191-W195 WeakPolarHBondContact O-CB 3.28Å; L191-W195 PolarHBondContact O-N 2.77Å; L191-W195 VanDerWaalsContact O-N 3.11Å; L191-L204 HydrophobicContact CB-CD1 4.12Å; L191-M233 HydrophobicContact CD1-CE 4.23Å; L191-M233 HydrophobicContact CD1-SD 3.09Å; L191-M233 WeakPolarHBondContact CD1-SD 3.49Å; L191-M233 HydrophobicContact CG-SD 4.48Å |
| 192 | D | 95.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -41.6 | -178.1 | -164.3 | 88.3 | 0 | 0 | 0 | 114.1 | Q188 V194 W195 P196 I203 L204 T205 | Q188-D192 VanDerWaalsContact O-CB 3.22Å; Q188-D192 WeakPolarHBondContact O-CB 3.43Å; Q188-D192 PolarHBondContact O-N 3.02Å; D192-V194 VanDerWaalsContact C-N 3.31Å; D192-V194 PolarHBondContact O-N 3.15Å; D192-W195 PolarHBondContact O-N 3.07Å; D192-P196 WeakPolarHBondContact O-CD 3.3Å; D192-I203 VanDerWaalsContact OD1-CG2 3.28Å; D192-I203 WeakPolarHBondContact OD1-CG2 3.45Å; D192-L204 PolarHBondContact OD1-N 3.28Å; D192-T205 HydrophobicContact CB-CG2 3.99Å; D192-T205 VanDerWaalsContact CG-OG1 3.31Å; D192-T205 PolarHBondContact OD1-N 2.83Å; D192-T205 PolarHBondContact OD1-OG1 3.09Å; D192-T205 PolarHBondContact OD2-OG1 3.41Å |
| 193 | P | 93.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 19% | 0.188 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31.4 | -175.9 | -25.4 | 36 | 0 | 0 | 0 | 115.7 | R9 Y13 Y20 L191 | R9-P193 HydrophobicContact CG-CG 4.28Å; Y13-P193 HydrophobicContact CE1-CB 3.57Å; Y13-P193 HydrophobicContact CE1-CG 4.47Å; Y13-P193 VanDerWaalsContact OH-CB 3.25Å; Y13-P193 WeakPolarHBondContact OH-CB 3.28Å; Y20-P193 PolarHBondContact OH-O 3.22Å; L191-P193 VanDerWaalsContact C-N 3.29Å; L191-P193 VanDerWaalsContact O-N 3.12Å |
| 194 | V | 95 | Very high | 94.7 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -25.3 | 179.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I12 A16 Y20 L191 D192 L197 L198 | I12-V194 HydrophobicContact CG2-CB 4.05Å; I12-V194 HydrophobicContact CG2-CG2 3.33Å; A16-V194 HydrophobicContact CB-CB 4.41Å; A16-V194 HydrophobicContact CB-CG1 3.88Å; A16-V194 HydrophobicContact CB-CG2 3.51Å; Y20-V194 HydrophobicContact CE2-CG2 3.66Å; Y20-V194 WeakPolarHBondContact OH-CG2 3.27Å; Y20-V194 PolarHBondContact OH-N 3.16Å; L191-V194 PolarHBondContact O-N 2.81Å; D192-V194 VanDerWaalsContact C-N 3.31Å; D192-V194 PolarHBondContact O-N 3.15Å; V194-L197 WeakPolarHBondContact O-CB 3.38Å; V194-L197 PolarHBondContact O-N 2.78Å; V194-L198 HydrophobicContact CG1-CD1 3.79Å; V194-L198 HydrophobicContact CG1-CG 4.02Å; V194-L198 PolarHBondContact O-N 3.36Å |
| 195 | W | 95.5 | Very high | 94.9 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 7% | 0.068 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.6 | -46.4 | -173.1 | -165.8 | -82.7 | 0 | 0 | 0 | 114.4 | L191 D192 L197 L198 F199 C202 L204 W231 M233 V234 | L191-W195 HydrophobicContact CB-CE3 4.41Å; L191-W195 WeakPolarHBondContact O-CB 3.28Å; L191-W195 PolarHBondContact O-N 2.77Å; L191-W195 VanDerWaalsContact O-N 3.11Å; D192-W195 PolarHBondContact O-N 3.07Å; W195-L197 PolarHBondContact O-N 3.07Å; W195-L198 PolarHBondContact O-N 3.47Å; W195-F199 AromaticContact CD1-CD2 3.64Å; W195-F199 AromaticContact CD2-CD2 3.35Å; W195-F199 HydrophobicContact CD2-CD2 3.35Å; W195-F199 AromaticContact CD2-CE2 3.53Å; W195-F199 HydrophobicContact CD2-CE2 3.53Å; W195-F199 HydrophobicContact CD2-CG 4.41Å; W195-F199 AromaticContact CE2-CD2 3.22Å; W195-F199 AromaticContact CE2-CE2 3.52Å; W195-F199 AromaticContact CE2-CG 3.9Å; W195-F199 AromaticContact CE3-CD2 3.91Å; W195-F199 HydrophobicContact CE3-CD2 3.91Å; W195-F199 AromaticContact CE3-CE2 3.57Å; W195-F199 HydrophobicContact CE3-CE2 3.57Å; W195-F199 AromaticContact CG-CD2 3.66Å; W195-F199 HydrophobicContact CG-CD2 3.66Å; W195-F199 HydrophobicContact CG-CE2 4.25Å; W195-F199 HydrophobicContact CH2-CD2 4.24Å; W195-F199 AromaticContact CH2-CE2 3.67Å; W195-F199 HydrophobicContact CH2-CE2 3.67Å; W195-F199 HydrophobicContact CH2-CZ 4.04Å; W195-F199 AromaticContact CZ2-CD2 3.72Å; W195-F199 HydrophobicContact CZ2-CD2 3.72Å; W195-F199 AromaticContact CZ2-CE2 3.61Å; W195-F199 HydrophobicContact CZ2-CE2 3.61Å; W195-F199 HydrophobicContact CZ2-CG 4.26Å; W195-F199 HydrophobicContact CZ2-CZ 4.09Å; W195-F199 HydrophobicContact CZ3-CD2 4.33Å; W195-F199 AromaticContact CZ3-CE2 3.65Å; W195-F199 HydrophobicContact CZ3-CE2 3.65Å; W195-F199 HydrophobicContact CZ3-CZ 4.31Å; W195-F199 AromaticContact NE1-CD2 3.4Å; W195-F199 AromaticContact NE1-CG 3.76Å; W195-F199 WeakPolarHBondContact O-CD2 3.25Å; W195-F199 PolarHBondContact O-N 2.87Å; W195-C202 VanDerWaalsContact CD1-O 3.3Å; W195-C202 VanDerWaalsContact CD1-SG 3.52Å; W195-C202 PolarHBondContact NE1-SG 2.99Å; W195-L204 HydrophobicContact CB-CD1 4.22Å; W195-L204 HydrophobicContact CB-CG 4.24Å; W195-L204 HydrophobicContact CD2-CD1 3.51Å; W195-L204 HydrophobicContact CD2-CD2 3.87Å; W195-L204 HydrophobicContact CD2-CG 3.57Å; W195-L204 VanDerWaalsContact CE2-CD2 3.48Å; W195-L204 HydrophobicContact CE3-CD1 3.55Å; W195-L204 HydrophobicContact CE3-CD2 4.43Å; W195-L204 HydrophobicContact CE3-CG 4.15Å; W195-L204 HydrophobicContact CG-CD1 3.83Å; W195-L204 HydrophobicContact CG-CD2 4.28Å; W195-L204 HydrophobicContact CG-CG 3.61Å; W195-L204 HydrophobicContact CH2-CD2 4.29Å; W195-L204 HydrophobicContact CZ2-CD2 3.72Å; W195-L204 HydrophobicContact CZ2-CG 4.38Å; W195-L204 HydrophobicContact CZ3-CD1 4.08Å; W195-W231 HydrophobicContact CH2-CE3 4.28Å; W195-W231 HydrophobicContact CH2-CZ3 4.22Å; W195-W231 HydrophobicContact CZ2-CZ3 4.44Å; W195-M233 HydrophobicContact CH2-CE 4.14Å; W195-M233 HydrophobicContact CZ3-CE 3.95Å; W195-M233 HydrophobicContact CZ3-SD 4.34Å; W195-V234 HydrophobicContact CH2-CG1 4.39Å; W195-V234 HydrophobicContact CZ2-CG1 3.83Å |
| 196 | P | 94.9 | Very high | 95 | Very high | 37 Ų | 37 | 33 Ų | 33 | 24% | 0.24 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.5 | -30.4 | 176.4 | -24 | 29.6 | 0 | 0 | 0 | 113.9 | D192 L198 D200 G201 C202 I203 | D192-P196 WeakPolarHBondContact O-CD 3.3Å; P196-L198 VanDerWaalsContact C-N 3.33Å; P196-D200 PolarHBondContact O-N 3.3Å; P196-G201 PolarHBondContact O-N 2.99Å; P196-C202 WeakPolarHBondContact CA-O 3.18Å; P196-C202 WeakPolarHBondContact CD-O 3.48Å; P196-C202 VanDerWaalsContact CG-O 3.26Å; P196-C202 WeakPolarHBondContact CG-O 3.49Å; P196-I203 HydrophobicContact CG-CG1 4.3Å |
| 197 | L | 94.1 | Very high | 95.1 | Very high | 26 Ų | 26 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.2 | -29.8 | 179.4 | -61.8 | 176.3 | 0 | 0 | 0 | 111.6 | I19 Y20 N23 W28 C32 V194 W195 | I19-L197 HydrophobicContact CG2-CB 4.06Å; I19-L197 HydrophobicContact CG2-CD1 4.09Å; Y20-L197 HydrophobicContact CD1-CD1 3.62Å; Y20-L197 HydrophobicContact CE1-CD1 3.35Å; Y20-L197 HydrophobicContact CE2-CD1 4.39Å; Y20-L197 HydrophobicContact CG-CD1 4.25Å; N23-L197 HydrophobicContact CB-CD2 4.35Å; W28-L197 PolarHBondContact NE1-O 2.86Å; C32-L197 PolarHBondContact SG-O 2.73Å; C32-L197 VanDerWaalsContact SG-O 3.41Å; V194-L197 WeakPolarHBondContact O-CB 3.38Å; V194-L197 PolarHBondContact O-N 2.78Å; W195-L197 PolarHBondContact O-N 3.07Å |
| 198 | L | 92.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 29.7 Ų | 29.7 | 37% | 0.372 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -90.8 | -31.9 | -178.7 | -62.8 | 179.7 | 0 | 0 | 0 | 112.8 | I19 W28 V194 W195 P196 | I19-L198 HydrophobicContact CD1-CD2 3.68Å; W28-L198 HydrophobicContact CZ2-CD2 4.21Å; V194-L198 HydrophobicContact CG1-CD1 3.79Å; V194-L198 HydrophobicContact CG1-CG 4.02Å; V194-L198 PolarHBondContact O-N 3.36Å; W195-L198 PolarHBondContact O-N 3.47Å; P196-L198 VanDerWaalsContact C-N 3.33Å |
| 199 | F | 93.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 42.6 | -171.4 | -59.6 | -75.2 | 0 | 0 | 0 | 112.5 | F36 F39 W195 G201 C202 W231 | F36-F199 HydrophobicContact CE2-CD1 4.43Å; F39-F199 AromaticContact CE1-CD1 3.96Å; F39-F199 HydrophobicContact CE1-CD1 3.96Å; F39-F199 AromaticContact CE1-CE1 3.85Å; F39-F199 HydrophobicContact CE1-CE1 3.85Å; F39-F199 HydrophobicContact CZ-CD1 4.31Å; F39-F199 AromaticContact CZ-CE1 3.73Å; F39-F199 HydrophobicContact CZ-CE1 3.73Å; W195-F199 AromaticContact CD1-CD2 3.64Å; W195-F199 AromaticContact CD2-CD2 3.35Å; W195-F199 HydrophobicContact CD2-CD2 3.35Å; W195-F199 AromaticContact CD2-CE2 3.53Å; W195-F199 HydrophobicContact CD2-CE2 3.53Å; W195-F199 HydrophobicContact CD2-CG 4.41Å; W195-F199 AromaticContact CE2-CD2 3.22Å; W195-F199 AromaticContact CE2-CE2 3.52Å; W195-F199 AromaticContact CE2-CG 3.9Å; W195-F199 AromaticContact CE3-CD2 3.91Å; W195-F199 HydrophobicContact CE3-CD2 3.91Å; W195-F199 AromaticContact CE3-CE2 3.57Å; W195-F199 HydrophobicContact CE3-CE2 3.57Å; W195-F199 AromaticContact CG-CD2 3.66Å; W195-F199 HydrophobicContact CG-CD2 3.66Å; W195-F199 HydrophobicContact CG-CE2 4.25Å; W195-F199 HydrophobicContact CH2-CD2 4.24Å; W195-F199 AromaticContact CH2-CE2 3.67Å; W195-F199 HydrophobicContact CH2-CE2 3.67Å; W195-F199 HydrophobicContact CH2-CZ 4.04Å; W195-F199 AromaticContact CZ2-CD2 3.72Å; W195-F199 HydrophobicContact CZ2-CD2 3.72Å; W195-F199 AromaticContact CZ2-CE2 3.61Å; W195-F199 HydrophobicContact CZ2-CE2 3.61Å; W195-F199 HydrophobicContact CZ2-CG 4.26Å; W195-F199 HydrophobicContact CZ2-CZ 4.09Å; W195-F199 HydrophobicContact CZ3-CD2 4.33Å; W195-F199 AromaticContact CZ3-CE2 3.65Å; W195-F199 HydrophobicContact CZ3-CE2 3.65Å; W195-F199 HydrophobicContact CZ3-CZ 4.31Å; W195-F199 AromaticContact NE1-CD2 3.4Å; W195-F199 AromaticContact NE1-CG 3.76Å; W195-F199 WeakPolarHBondContact O-CD2 3.25Å; W195-F199 PolarHBondContact O-N 2.87Å; F199-G201 VanDerWaalsContact C-N 3.35Å; F199-G201 PolarHBondContact O-N 2.75Å; F199-C202 HydrophobicContact CB-CB 3.85Å; F199-C202 WeakPolarHBondContact O-CB 3.09Å; F199-C202 PolarHBondContact O-N 3.26Å; F199-C202 VanDerWaalsContact O-N 3.12Å; F199-W231 AromaticContact CE1-CH2 3.63Å; F199-W231 HydrophobicContact CE1-CH2 3.63Å; F199-W231 AromaticContact CE1-CZ3 3.73Å; F199-W231 HydrophobicContact CE1-CZ3 3.73Å; F199-W231 AromaticContact CZ-CH2 3.56Å; F199-W231 HydrophobicContact CZ-CH2 3.56Å; F199-W231 AromaticContact CZ-CZ3 3.83Å; F199-W231 HydrophobicContact CZ-CZ3 3.83Å |
| 200 | D | 92.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 49.5 | 171.2 | -155.8 | 25.4 | 0 | 0 | 0 | 114.5 | F36 P196 | F36-D200 HydrophobicContact CD1-CB 3.58Å; F36-D200 HydrophobicContact CD2-CB 4.22Å; F36-D200 HydrophobicContact CE1-CB 3.54Å; F36-D200 HydrophobicContact CE2-CB 4.2Å; F36-D200 HydrophobicContact CG-CB 3.93Å; F36-D200 HydrophobicContact CZ-CB 3.86Å; P196-D200 PolarHBondContact O-N 3.3Å |
| 201 | G | 93.6 | Very high | 95.5 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 27% | 0.268 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | -8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S149 P196 F199 I203 | S149-G201 WeakPolarHBondContact CA-O 3.22Å; P196-G201 PolarHBondContact O-N 2.99Å; F199-G201 VanDerWaalsContact C-N 3.35Å; F199-G201 PolarHBondContact O-N 2.75Å; G201-I203 PolarHBondContact O-N 2.8Å |
| 202 | C | 95.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 5% | 0.054 | 17% | 0.166 | C | C | . | . | trans | -53.6 | 131.7 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 112.8 | S149 H175 W195 P196 F199 | S149-C202 VanDerWaalsContact OG-CA 3.28Å; S149-C202 WeakPolarHBondContact OG-CA 3.21Å; S149-C202 PolarHBondContact OG-N 3.36Å; H175-C202 PolarHBondContact CE1-SG 3.43Å; H175-C202 PolarHBondContact NE2-SG 2.79Å; W195-C202 VanDerWaalsContact CD1-O 3.3Å; W195-C202 VanDerWaalsContact CD1-SG 3.52Å; W195-C202 PolarHBondContact NE1-SG 2.99Å; P196-C202 WeakPolarHBondContact CA-O 3.18Å; P196-C202 WeakPolarHBondContact CD-O 3.48Å; P196-C202 VanDerWaalsContact CG-O 3.26Å; P196-C202 WeakPolarHBondContact CG-O 3.49Å; F199-C202 HydrophobicContact CB-CB 3.85Å; F199-C202 WeakPolarHBondContact O-CB 3.09Å; F199-C202 PolarHBondContact O-N 3.26Å; F199-C202 VanDerWaalsContact O-N 3.12Å | ||
| 203 | I | 97.3 | Very high | 95.8 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 24% | 0.236 | 19% | 0.185 | C | C | . | . | trans | -112.1 | 117.6 | 175 | -55.9 | -171 | 0 | 0 | 0 | 109.2 | C148 H175 D192 P196 G201 R206 | C148-I203 PolarHBondContact O-N 2.9Å; H175-I203 PolarHBondContact CE1-O 3.45Å; D192-I203 VanDerWaalsContact OD1-CG2 3.28Å; D192-I203 WeakPolarHBondContact OD1-CG2 3.45Å; P196-I203 HydrophobicContact CG-CG1 4.3Å; G201-I203 PolarHBondContact O-N 2.8Å; I203-R206 HydrophobicContact CB-CB 4.1Å; I203-R206 VanDerWaalsContact CD1-NH2 3.31Å; I203-R206 HydrophobicContact CG2-CB 4.13Å; I203-R206 VanDerWaalsContact O-CB 3.3Å; I203-R206 WeakPolarHBondContact O-CB 3.31Å; I203-R206 PolarHBondContact O-N 2.91Å | ||
| 204 | L | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -37.7 | -176.3 | -79 | 179.8 | 0 | 0 | 0 | 112.6 | Q188 L191 D192 W195 R206 V234 | Q188-L204 HydrophobicContact CB-CB 4.03Å; Q188-L204 HydrophobicContact CB-CD1 4.49Å; Q188-L204 HydrophobicContact CG-CB 4.01Å; Q188-L204 HydrophobicContact CG-CD1 4.41Å; Q188-L204 PolarHBondContact NE2-O 2.88Å; L191-L204 HydrophobicContact CB-CD1 4.12Å; D192-L204 PolarHBondContact OD1-N 3.28Å; W195-L204 HydrophobicContact CB-CD1 4.22Å; W195-L204 HydrophobicContact CB-CG 4.24Å; W195-L204 HydrophobicContact CD2-CD1 3.51Å; W195-L204 HydrophobicContact CD2-CD2 3.87Å; W195-L204 HydrophobicContact CD2-CG 3.57Å; W195-L204 VanDerWaalsContact CE2-CD2 3.48Å; W195-L204 HydrophobicContact CE3-CD1 3.55Å; W195-L204 HydrophobicContact CE3-CD2 4.43Å; W195-L204 HydrophobicContact CE3-CG 4.15Å; W195-L204 HydrophobicContact CG-CD1 3.83Å; W195-L204 HydrophobicContact CG-CD2 4.28Å; W195-L204 HydrophobicContact CG-CG 3.61Å; W195-L204 HydrophobicContact CH2-CD2 4.29Å; W195-L204 HydrophobicContact CZ2-CD2 3.72Å; W195-L204 HydrophobicContact CZ2-CG 4.38Å; W195-L204 HydrophobicContact CZ3-CD1 4.08Å; L204-R206 PolarHBondContact O-N 2.74Å; L204-V234 HydrophobicContact CD2-CG1 3.73Å |
| 205 | T | 96.3 | Very high | 96 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 29% | 0.288 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 14.2 | -175.6 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | Q188 Q189 D192 | Q188-T205 HydrophobicContact CB-CG2 4.15Å; Q189-T205 HydrophobicContact CG-CG2 4.03Å; D192-T205 HydrophobicContact CB-CG2 3.99Å; D192-T205 VanDerWaalsContact CG-OG1 3.31Å; D192-T205 PolarHBondContact OD1-N 2.83Å; D192-T205 PolarHBondContact OD1-OG1 3.09Å; D192-T205 PolarHBondContact OD2-OG1 3.41Å |
| 206 | R | 96.4 | Very high | 96 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | trans | -80.9 | 127.8 | -173.3 | -168.9 | 162 | -100.5 | -162.3 | 6 | 112.4 | L147 C148 V150 V176 A177 I203 L204 S208 | L147-R206 WeakPolarHBondContact O-CD 3.48Å; L147-R206 PolarHBondContact O-NH1 2.96Å; C148-R206 WeakPolarHBondContact O-CD 3.4Å; C148-R206 PolarHBondContact O-NH1 2.97Å; V150-R206 VanDerWaalsContact O-CZ 3.27Å; V150-R206 PolarHBondContact O-NH1 3.14Å; V150-R206 PolarHBondContact O-NH2 3.26Å; V176-R206 CarbonylContact C-O 3.56Å; V176-R206 WeakPolarHBondContact CA-O 3.41Å; A177-R206 PolarHBondContact N-O 2.78Å; I203-R206 HydrophobicContact CB-CB 4.1Å; I203-R206 VanDerWaalsContact CD1-NH2 3.31Å; I203-R206 HydrophobicContact CG2-CB 4.13Å; I203-R206 VanDerWaalsContact O-CB 3.3Å; I203-R206 WeakPolarHBondContact O-CB 3.31Å; I203-R206 PolarHBondContact O-N 2.91Å; L204-R206 PolarHBondContact O-N 2.74Å; R206-S208 PolarHBondContact O-N 3.24Å | ||
| 207 | E | 96.9 | Very high | 96.1 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | trans | -98.7 | 57.6 | -179 | -58.8 | -177.1 | 107.2 | 0 | 0 | 111.1 | A177 W209 K210 | A177-E207 HydrophobicContact CB-CG 3.78Å; E207-W209 HydrophobicContact CB-CD2 4.22Å; E207-W209 HydrophobicContact CB-CE3 4.13Å; E207-W209 HydrophobicContact CB-CH2 3.63Å; E207-W209 HydrophobicContact CB-CZ2 3.7Å; E207-W209 HydrophobicContact CB-CZ3 3.86Å; E207-W209 HydrophobicContact CG-CH2 3.45Å; E207-W209 VanDerWaalsContact CG-CH2 3.45Å; E207-W209 HydrophobicContact CG-CZ2 3.74Å; E207-W209 HydrophobicContact CG-CZ3 4.03Å; E207-W209 PolarHBondContact O-N 3.18Å; E207-W209 WeakPolarHBondContact OE1-CZ2 3.4Å; E207-K210 HydrophobicContact CB-CD 4Å; E207-K210 HydrophobicContact CB-CG 4.18Å; E207-K210 VanDerWaalsContact CD-CE 3.46Å; E207-K210 WeakPolarHBondContact O-CB 3.39Å; E207-K210 PolarHBondContact O-N 3.48Å; E207-K210 VanDerWaalsContact OE1-CE 3.28Å; E207-K210 WeakPolarHBondContact OE1-CE 3.31Å; E207-K210 IonicContact OE1-NZ 2.65Å; E207-K210 PolarHBondContact OE1-NZ 3.05Å; E207-K210 WeakPolarHBondContact OE2-CE 3.29Å; E207-K210 IonicContact OE2-NZ 3.85Å; E207-K210 PolarHBondContact OE2-NZ 3.41Å | ||
| 208 | S | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.5 | -27.5 | -171.4 | -55.7 | 0 | 0 | 0 | 0 | 114.4 | Q153 R206 K210 T211 L212 | Q153-S208 PolarHBondContact NE2-OG 2.93Å; R206-S208 PolarHBondContact O-N 3.24Å; S208-K210 VanDerWaalsContact C-N 3.28Å; S208-K210 PolarHBondContact O-N 2.79Å; S208-T211 PolarHBondContact O-N 3.45Å; S208-L212 WeakPolarHBondContact O-CG 3.09Å; S208-L212 PolarHBondContact O-N 3.21Å; S208-L212 VanDerWaalsContact O-N 3.14Å |
| 209 | W | 97.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -36.8 | 176.9 | 68.2 | 91 | 0 | 0 | 0 | 112.5 | V176 A177 E207 T211 L212 E213 L222 H224 I238 | V176-W209 HydrophobicContact CB-CE3 3.7Å; V176-W209 HydrophobicContact CB-CZ3 3.54Å; V176-W209 HydrophobicContact CG1-CE3 3.96Å; V176-W209 HydrophobicContact CG1-CZ3 4.31Å; V176-W209 HydrophobicContact CG2-CE3 3.81Å; V176-W209 HydrophobicContact CG2-CZ3 3.57Å; A177-W209 HydrophobicContact CB-CH2 4.13Å; A177-W209 HydrophobicContact CB-CZ3 4.28Å; E207-W209 HydrophobicContact CB-CD2 4.22Å; E207-W209 HydrophobicContact CB-CE3 4.13Å; E207-W209 HydrophobicContact CB-CH2 3.63Å; E207-W209 HydrophobicContact CB-CZ2 3.7Å; E207-W209 HydrophobicContact CB-CZ3 3.86Å; E207-W209 HydrophobicContact CG-CH2 3.45Å; E207-W209 VanDerWaalsContact CG-CH2 3.45Å; E207-W209 HydrophobicContact CG-CZ2 3.74Å; E207-W209 HydrophobicContact CG-CZ3 4.03Å; E207-W209 PolarHBondContact O-N 3.18Å; E207-W209 WeakPolarHBondContact OE1-CZ2 3.4Å; W209-T211 VanDerWaalsContact C-N 3.29Å; W209-T211 PolarHBondContact O-N 3.27Å; W209-L212 WeakPolarHBondContact O-CB 3.4Å; W209-L212 PolarHBondContact O-N 2.97Å; W209-E213 VanDerWaalsContact O-CG 3.29Å; W209-E213 WeakPolarHBondContact O-CG 3.35Å; W209-E213 PolarHBondContact O-N 3.42Å; W209-L222 HydrophobicContact CB-CD1 3.77Å; W209-L222 HydrophobicContact CB-CD2 4.4Å; W209-H224 AromaticContact CD2-CE1 3.72Å; W209-H224 AromaticContact CE3-CE1 3.8Å; W209-H224 AromaticContact CG-CE1 3.96Å; W209-H224 AromaticContact CG-NE2 3.91Å; W209-I238 HydrophobicContact CB-CD1 3.93Å; W209-I238 HydrophobicContact CB-CG2 4.29Å |
| 210 | K | 97.9 | Very high | 96.8 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 179.5 | -63.4 | -174.5 | -179.2 | 171.9 | 0 | 111.8 | E207 S208 R214 | E207-K210 HydrophobicContact CB-CD 4Å; E207-K210 HydrophobicContact CB-CG 4.18Å; E207-K210 VanDerWaalsContact CD-CE 3.46Å; E207-K210 WeakPolarHBondContact O-CB 3.39Å; E207-K210 PolarHBondContact O-N 3.48Å; E207-K210 VanDerWaalsContact OE1-CE 3.28Å; E207-K210 WeakPolarHBondContact OE1-CE 3.31Å; E207-K210 IonicContact OE1-NZ 2.65Å; E207-K210 PolarHBondContact OE1-NZ 3.05Å; E207-K210 WeakPolarHBondContact OE2-CE 3.29Å; E207-K210 IonicContact OE2-NZ 3.85Å; E207-K210 PolarHBondContact OE2-NZ 3.41Å; S208-K210 VanDerWaalsContact C-N 3.28Å; S208-K210 PolarHBondContact O-N 2.79Å; K210-R214 WeakPolarHBondContact O-CG 3.4Å; K210-R214 PolarHBondContact O-N 3.16Å |
| 211 | T | 97.7 | Very high | 97.1 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.7 | -38.1 | 177.6 | -41.2 | 0 | 0 | 0 | 0 | 110.7 | Q153 E154 L157 S208 W209 R214 A215 | Q153-T211 HydrophobicContact CB-CG2 3.74Å; Q153-T211 PolarHBondContact OE1-OG1 3.27Å; E154-T211 HydrophobicContact CG-CG2 3.75Å; L157-T211 HydrophobicContact CD1-CG2 3.7Å; S208-T211 PolarHBondContact O-N 3.45Å; W209-T211 VanDerWaalsContact C-N 3.29Å; W209-T211 PolarHBondContact O-N 3.27Å; T211-R214 PolarHBondContact O-N 3.23Å; T211-A215 WeakPolarHBondContact O-CB 3.45Å; T211-A215 PolarHBondContact O-N 3.34Å; T211-A215 VanDerWaalsContact O-N 3.11Å |
| 212 | L | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 174.8 | -68.8 | 166.5 | 0 | 0 | 0 | 112.2 | L147 L157 F170 F172 S208 W209 R214 A215 L220 L222 I238 | L147-L212 HydrophobicContact CD1-CD1 4.41Å; L147-L212 HydrophobicContact CD1-CD2 4.05Å; L147-L212 HydrophobicContact CD1-CG 4.42Å; L157-L212 HydrophobicContact CD1-CD2 4.2Å; L157-L212 HydrophobicContact CD2-CD2 3.8Å; F170-L212 HydrophobicContact CD1-CD2 4.26Å; F170-L212 HydrophobicContact CE1-CD2 3.62Å; F172-L212 HydrophobicContact CD1-CD1 4.22Å; F172-L212 HydrophobicContact CD1-CD2 4.18Å; F172-L212 HydrophobicContact CD2-CD1 3.75Å; F172-L212 HydrophobicContact CE1-CD1 4.14Å; F172-L212 HydrophobicContact CE1-CD2 4.35Å; F172-L212 HydrophobicContact CE2-CD1 3.68Å; F172-L212 HydrophobicContact CG-CD1 4.04Å; F172-L212 HydrophobicContact CZ-CD1 3.88Å; S208-L212 WeakPolarHBondContact O-CG 3.09Å; S208-L212 PolarHBondContact O-N 3.21Å; S208-L212 VanDerWaalsContact O-N 3.14Å; W209-L212 WeakPolarHBondContact O-CB 3.4Å; W209-L212 PolarHBondContact O-N 2.97Å; L212-R214 PolarHBondContact O-N 3.47Å; L212-A215 WeakPolarHBondContact O-CB 3.43Å; L212-A215 PolarHBondContact O-N 3.24Å; L212-L220 HydrophobicContact CB-CD2 4.46Å; L212-L222 HydrophobicContact CB-CD1 4.42Å; L212-L222 HydrophobicContact CD1-CD1 4.08Å; L212-I238 HydrophobicContact CD1-CD1 3.61Å |
| 213 | E | 97.9 | Very high | 97.4 | Very high | 115 Ų | 115 | 58.5 Ų | 58.5 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -31.5 | 177 | -73.6 | 167.3 | 171.6 | 0 | 0 | 112.7 | W209 L220 | W209-E213 VanDerWaalsContact O-CG 3.29Å; W209-E213 WeakPolarHBondContact O-CG 3.35Å; W209-E213 PolarHBondContact O-N 3.42Å; E213-L220 HydrophobicContact CG-CD2 4Å |
| 214 | R | 97.6 | Very high | 97.4 | Very high | 190 Ų | 190 | 61.4 Ų | 61.4 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -93.4 | -4.5 | -179.5 | -64 | 174.4 | -164.5 | 165.3 | 2.8 | 113.9 | K210 T211 L212 G216 | K210-R214 WeakPolarHBondContact O-CG 3.4Å; K210-R214 PolarHBondContact O-N 3.16Å; T211-R214 PolarHBondContact O-N 3.23Å; L212-R214 PolarHBondContact O-N 3.47Å; R214-G216 PolarHBondContact O-N 2.87Å |
| 215 | A | 95.9 | Very high | 97.4 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -73 | -6.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L157 T211 L212 F217 | L157-A215 HydrophobicContact CB-CB 4.26Å; L157-A215 HydrophobicContact CD1-CB 3.93Å; T211-A215 WeakPolarHBondContact O-CB 3.45Å; T211-A215 PolarHBondContact O-N 3.34Å; T211-A215 VanDerWaalsContact O-N 3.11Å; L212-A215 WeakPolarHBondContact O-CB 3.43Å; L212-A215 PolarHBondContact O-N 3.24Å; A215-F217 HydrophobicContact CB-CD2 3.67Å; A215-F217 HydrophobicContact CB-CE2 3.53Å |
| 216 | G | 94.8 | Very high | 97.4 | Very high | 72 Ų | 72 | 66.3 Ų | 66.3 | 74% | 0.742 | 33% | 0.334 | S | S | * | . | trans | 76.3 | 21.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R214 | R214-G216 PolarHBondContact O-N 2.87Š| ||
| 217 | F | 97.9 | Very high | 97.3 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | trans | -64.9 | 143 | 170.5 | -68.6 | -72.3 | 0 | 0 | 0 | 111.1 | L157 V160 L164 F170 A215 K219 A242 V243 | L157-F217 HydrophobicContact CD2-CE2 4.39Å; V160-F217 HydrophobicContact CG1-CZ 4.21Å; L164-F217 HydrophobicContact CD1-CE1 4.47Å; F170-F217 HydrophobicContact CB-CE1 4.13Å; F170-F217 HydrophobicContact CB-CZ 4.08Å; F170-F217 HydrophobicContact CD1-CE2 4.06Å; F170-F217 AromaticContact CD1-CZ 3.79Å; F170-F217 HydrophobicContact CD1-CZ 3.79Å; F170-F217 HydrophobicContact CG-CZ 4.27Å; A215-F217 HydrophobicContact CB-CD2 3.67Å; A215-F217 HydrophobicContact CB-CE2 3.53Å; F217-K219 PolarHBondContact O-N 3.47Å; F217-A242 HydrophobicContact CB-CB 3.75Å; F217-A242 HydrophobicContact CD1-CB 3.8Å; F217-A242 HydrophobicContact CD2-CB 3.47Å; F217-A242 VanDerWaalsContact CD2-CB 3.47Å; F217-A242 HydrophobicContact CE1-CB 4.24Å; F217-A242 HydrophobicContact CE2-CB 3.96Å; F217-A242 HydrophobicContact CG-CB 3.39Å; F217-A242 HydrophobicContact CZ-CB 4.32Å; F217-V243 CarbonylContact C-O 3.56Å; F217-V243 WeakPolarHBondContact CA-O 3.43Å; F217-V243 WeakPolarHBondContact CB-O 3.31Å | ||
| 218 | S | 97.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 62% | 0.615 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -66.8 | -25.8 | 179.6 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | V243 K244 | S218-V243 PolarHBondContact N-O 3.05Å; S218-V243 PolarHBondContact OG-O 3.04Å; S218-K244 WeakPolarHBondContact CB-OXT 3.35Å; S218-K244 PolarHBondContact OG-OXT 3.46Å |
| 219 | K | 98.2 | Very high | 96.7 | Very high | 113 Ų | 113 | 65.1 Ų | 65.1 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 139.2 | 173.1 | -177.5 | -178.6 | 180 | -175.7 | 0 | 109.7 | F217 Y241 A242 V243 | F217-K219 PolarHBondContact O-N 3.47Å; K219-Y241 PolarHBondContact NZ-OH 3Å; K219-A242 CarbonylContact O-C 3.59Å; K219-A242 WeakPolarHBondContact O-CA 3.16Å; K219-A242 WeakPolarHBondContact O-CB 3.34Å; K219-V243 HydrophobicContact CB-CB 4.07Å; K219-V243 HydrophobicContact CB-CG2 4.1Å; K219-V243 HydrophobicContact CD-CG2 4.27Å; K219-V243 PolarHBondContact O-N 3.35Å |
| 220 | L | 98.6 | Very high | 96.1 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 115.7 | 171.9 | 178.4 | 61.7 | 0 | 0 | 0 | 109.8 | F172 L212 E213 L222 A242 | F172-L220 HydrophobicContact CE1-CD1 3.85Å; F172-L220 HydrophobicContact CZ-CD1 3.89Å; L212-L220 HydrophobicContact CB-CD2 4.46Å; E213-L220 HydrophobicContact CG-CD2 4Å; L220-L222 HydrophobicContact CD1-CB 4.26Å; L220-L222 HydrophobicContact CD2-CB 4.49Å; L220-L222 HydrophobicContact CD2-CD1 4.42Å; L220-L222 HydrophobicContact CG-CB 4.12Å; L220-A242 HydrophobicContact CD1-CB 3.86Å |
| 221 | K | 98.3 | Very high | 95.4 | Very high | 97 Ų | 97 | 69.7 Ų | 69.7 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 105.6 | 167.1 | -174.7 | -178.9 | -178.2 | -175.9 | 0 | 107.5 | G240 Y241 | K221-G240 CarbonylContact O-C 3.6Å; K221-G240 VanDerWaalsContact O-CA 3.26Å; K221-G240 WeakPolarHBondContact O-CA 3.42Å; K221-Y241 HydrophobicContact CB-CD1 4.4Å; K221-Y241 HydrophobicContact CB-CE1 4.21Å; K221-Y241 HydrophobicContact CD-CD1 4.32Å; K221-Y241 HydrophobicContact CD-CE1 3.67Å; K221-Y241 PolarHBondContact N-O 3.21Å; K221-Y241 PolarHBondContact O-N 3.31Å |
| 222 | L | 98.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 72.6 Ų | 72.6 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.3 | -178.1 | -174.4 | 151.2 | 0 | 0 | 0 | 109.6 | F172 W209 L212 L220 H224 I238 | F172-L222 HydrophobicContact CE2-CD1 4.08Å; F172-L222 HydrophobicContact CE2-CG 4.09Å; F172-L222 HydrophobicContact CZ-CB 4.13Å; F172-L222 HydrophobicContact CZ-CD1 4.03Å; F172-L222 HydrophobicContact CZ-CG 4.1Å; W209-L222 HydrophobicContact CB-CD1 3.77Å; W209-L222 HydrophobicContact CB-CD2 4.4Å; L212-L222 HydrophobicContact CB-CD1 4.42Å; L212-L222 HydrophobicContact CD1-CD1 4.08Å; L220-L222 HydrophobicContact CD1-CB 4.26Å; L220-L222 HydrophobicContact CD2-CB 4.49Å; L220-L222 HydrophobicContact CD2-CD1 4.42Å; L220-L222 HydrophobicContact CG-CB 4.12Å; L222-H224 VanDerWaalsContact CD2-CD2 3.48Å; L222-H224 WeakPolarHBondContact CD2-CD2 3.16Å; L222-I238 HydrophobicContact CD1-CD1 4.32Å; L222-I238 HydrophobicContact CD2-CG2 4.23Å |
| 223 | Q | 98.1 | Very high | 94.3 | Very high | 70 Ų | 70 | 74.1 Ų | 74.1 | 33% | 0.327 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.9 | 174.7 | -66.9 | -177.5 | 4 | 0 | 0 | 110.6 | I238 Y239 | Q223-I238 VanDerWaalsContact O-CA 3.25Å; Q223-I238 WeakPolarHBondContact O-CA 3.11Å; Q223-Y239 HydrophobicContact CB-CD1 4.11Å; Q223-Y239 HydrophobicContact CB-CE1 3.68Å; Q223-Y239 PolarHBondContact N-O 3.29Å; Q223-Y239 PolarHBondContact O-N 3.3Å; Q223-Y239 VanDerWaalsContact OE1-CZ 3.3Å; Q223-Y239 PolarHBondContact OE1-OH 2.97Å |
| 224 | H | 97.6 | Very high | 94 | Very high | 107 Ų | 107 | 69.1 Ų | 69.1 | 50% | 0.495 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 136.2 | 167.3 | -74.3 | -108.5 | 0 | 0 | 0 | 109.8 | W209 L222 H237 | W209-H224 AromaticContact CD2-CE1 3.72Å; W209-H224 AromaticContact CE3-CE1 3.8Å; W209-H224 AromaticContact CG-CE1 3.96Å; W209-H224 AromaticContact CG-NE2 3.91Å; L222-H224 VanDerWaalsContact CD2-CD2 3.48Å; L222-H224 WeakPolarHBondContact CD2-CD2 3.16Å; H224-H237 WeakPolarHBondContact CA-O 3.43Å |
| 225 | I | 96.5 | Very high | 93.8 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 159.1 | 175.3 | 60.9 | 172.2 | 0 | 0 | 0 | 110.4 | M51 K54 H237 Y239 | M51-I225 HydrophobicContact CE-CD1 4.05Å; K54-I225 HydrophobicContact CD-CD1 4.22Å; K54-I225 HydrophobicContact CG-CD1 4.24Å; I225-H237 HydrophobicContact CD1-CB 4.27Å; I225-H237 HydrophobicContact CG1-CB 3.72Å; I225-H237 PolarHBondContact N-O 3.04Å; I225-H237 PolarHBondContact O-N 2.95Å; I225-Y239 HydrophobicContact CD1-CD1 3.85Å; I225-Y239 HydrophobicContact CD1-CE1 4.02Å; I225-Y239 HydrophobicContact CG1-CD1 4.16Å; I225-Y239 HydrophobicContact CG1-CE1 4.37Å; I225-Y239 HydrophobicContact CG2-CD1 4.13Å; I225-Y239 HydrophobicContact CG2-CE1 3.56Å |
| 226 | Q | 95.8 | Very high | 93.9 | Very high | 119 Ų | 119 | 62.3 Ų | 62.3 | 56% | 0.556 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 106.9 | 160.1 | -63.8 | -58.4 | -35.8 | 0 | 0 | 107.7 | ||
| 227 | A | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -62.5 | 139.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | M51 L229 R235 H237 | M51-A227 HydrophobicContact CE-CB 4.3Å; M51-A227 HydrophobicContact SD-CB 3.74Å; A227-L229 HydrophobicContact CB-CD1 3.88Å; A227-L229 HydrophobicContact CB-CG 3.76Å; A227-L229 PolarHBondContact O-N 3.31Å; A227-R235 WeakPolarHBondContact CB-O 3.32Å; A227-R235 PolarHBondContact N-O 3.16Å; A227-R235 WeakPolarHBondContact O-CG 3.5Å; A227-R235 PolarHBondContact O-NE 2.69Å; A227-R235 VanDerWaalsContact O-NE 3.16Å; A227-H237 HydrophobicContact CB-CB 4.27Å; A227-H237 WeakPolarHBondContact CB-ND1 3.44Å | ||
| 228 | P | 92.8 | Very high | 94 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | trans | -76.3 | 47.7 | 179.1 | 34.7 | -38.4 | 0 | 0 | 0 | 111.7 | Q50 M51 | Q50-P228 HydrophobicContact CB-CG 4.46Å; Q50-P228 VanDerWaalsContact O-CG 3.28Å; Q50-P228 WeakPolarHBondContact O-CG 3.47Å; M51-P228 HydrophobicContact SD-CG 4.4Å | ||
| 229 | L | 89.6 | Confident | 94.1 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -92.4 | 146.7 | 178.8 | -54.7 | 175.3 | 0 | 0 | 0 | 110 | Y47 Q50 M51 A227 W231 V234 R235 | Y47-L229 HydrophobicContact CD2-CD1 4.18Å; Y47-L229 HydrophobicContact CD2-CD2 3.67Å; Y47-L229 HydrophobicContact CE2-CD1 3.94Å; Y47-L229 HydrophobicContact CE2-CD2 4.01Å; Q50-L229 HydrophobicContact CB-CD2 4.11Å; M51-L229 HydrophobicContact CG-CD2 4.32Å; A227-L229 HydrophobicContact CB-CD1 3.88Å; A227-L229 HydrophobicContact CB-CG 3.76Å; A227-L229 PolarHBondContact O-N 3.31Å; L229-W231 PolarHBondContact O-N 3.33Å; L229-V234 HydrophobicContact CD1-CG2 3.86Å; L229-R235 HydrophobicContact CB-CG 4.28Å; L229-R235 WeakPolarHBondContact O-CD 3.36Å; L229-R235 PolarHBondContact O-NE 3.01Å | ||
| 230 | S | 84.5 | Confident | 94.1 | Very high | 95 Ų | 95 | 48.6 Ų | 48.6 | 66% | 0.664 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -72.5 | -16.7 | 173.7 | -51.1 | 0 | 0 | 0 | 0 | 112.9 | Q50 | Q50-S230 PolarHBondContact NE2-OG 2.83Š|
| 231 | W | 82.4 | Confident | 94.1 | Very high | 105 Ų | 105 | 46.8 Ų | 46.8 | 40% | 0.398 | 23% | 0.229 | S | C | . | . | trans | -92.3 | 100.7 | 176 | -89 | -0.7 | 0 | 0 | 0 | 111.7 | F39 F43 W195 F199 L229 M233 V234 R235 | F39-W231 HydrophobicContact CZ-CH2 4.08Å; F39-W231 HydrophobicContact CZ-CZ3 4.45Å; F43-W231 HydrophobicContact CE2-CE3 4.39Å; F43-W231 HydrophobicContact CE2-CZ3 4.47Å; W195-W231 HydrophobicContact CH2-CE3 4.28Å; W195-W231 HydrophobicContact CH2-CZ3 4.22Å; W195-W231 HydrophobicContact CZ2-CZ3 4.44Å; F199-W231 AromaticContact CE1-CH2 3.63Å; F199-W231 HydrophobicContact CE1-CH2 3.63Å; F199-W231 AromaticContact CE1-CZ3 3.73Å; F199-W231 HydrophobicContact CE1-CZ3 3.73Å; F199-W231 AromaticContact CZ-CH2 3.56Å; F199-W231 HydrophobicContact CZ-CH2 3.56Å; F199-W231 AromaticContact CZ-CZ3 3.83Å; F199-W231 HydrophobicContact CZ-CZ3 3.83Å; L229-W231 PolarHBondContact O-N 3.33Å; W231-M233 VanDerWaalsContact C-N 3.28Å; W231-M233 PolarHBondContact O-N 2.88Å; W231-V234 HydrophobicContact CB-CG2 3.68Å; W231-V234 HydrophobicContact CE3-CG2 4.39Å; W231-V234 VanDerWaalsContact O-CG2 3.3Å; W231-V234 WeakPolarHBondContact O-CG2 3.34Å; W231-V234 PolarHBondContact O-N 3.17Å; W231-V234 VanDerWaalsContact O-N 3.16Å; W231-R235 WeakPolarHBondContact O-CG 3.45Å; W231-R235 PolarHBondContact O-N 3.23Å | ||
| 232 | E | 85.3 | Confident | 94.1 | Very high | 83 Ų | 83 | 42.1 Ų | 42.1 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -53.6 | -40.8 | -173.4 | -152.3 | 65.9 | -152.3 | 0 | 0 | 114.1 | N184 V234 R235 | N184-E232 PolarHBondContact ND2-O 3.04Å; N184-E232 WeakPolarHBondContact OD1-CG 3.29Å; E232-V234 PolarHBondContact O-N 3.34Å; E232-R235 VanDerWaalsContact CD-NH1 3.27Å; E232-R235 WeakPolarHBondContact O-CB 3.47Å; E232-R235 PolarHBondContact O-N 3.16Å; E232-R235 VanDerWaalsContact O-N 3.09Å; E232-R235 WeakPolarHBondContact OE1-CD 3.47Å; E232-R235 IonicContact OE1-CZ 3.84Å; E232-R235 IonicContact OE1-NH1 2.9Å; E232-R235 PolarHBondContact OE1-NH1 3.42Å; E232-R235 WeakPolarHBondContact OE2-CD 3.29Å; E232-R235 IonicContact OE2-CZ 3.66Å; E232-R235 IonicContact OE2-NE 2.73Å; E232-R235 IonicContact OE2-NH1 2.84Å; E232-R235 PolarHBondContact OE2-NH1 3.42Å |
| 233 | M | 88.4 | Confident | 94.1 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 18% | 0.177 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -68 | -21.2 | -174.7 | -60 | 162.8 | -69.9 | 0 | 0 | 114.1 | W187 Q188 L191 W195 W231 | W187-M233 HydrophobicContact CB-CG 4.05Å; W187-M233 HydrophobicContact CB-SD 4.37Å; Q188-M233 HydrophobicContact CG-CB 4.34Å; Q188-M233 PolarHBondContact NE2-O 3.38Å; L191-M233 HydrophobicContact CD1-CE 4.23Å; L191-M233 HydrophobicContact CD1-SD 3.09Å; L191-M233 WeakPolarHBondContact CD1-SD 3.49Å; L191-M233 HydrophobicContact CG-SD 4.48Å; W195-M233 HydrophobicContact CH2-CE 4.14Å; W195-M233 HydrophobicContact CZ3-CE 3.95Å; W195-M233 HydrophobicContact CZ3-SD 4.34Å; W231-M233 VanDerWaalsContact C-N 3.28Å; W231-M233 PolarHBondContact O-N 2.88Å |
| 234 | V | 91.1 | Very high | 94.1 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -107.9 | 6.7 | 176.8 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | H175 W195 L204 L229 W231 E232 H237 | H175-V234 HydrophobicContact CB-CB 4.12Å; W195-V234 HydrophobicContact CH2-CG1 4.39Å; W195-V234 HydrophobicContact CZ2-CG1 3.83Å; L204-V234 HydrophobicContact CD2-CG1 3.73Å; L229-V234 HydrophobicContact CD1-CG2 3.86Å; W231-V234 HydrophobicContact CB-CG2 3.68Å; W231-V234 HydrophobicContact CE3-CG2 4.39Å; W231-V234 VanDerWaalsContact O-CG2 3.3Å; W231-V234 WeakPolarHBondContact O-CG2 3.34Å; W231-V234 PolarHBondContact O-N 3.17Å; W231-V234 VanDerWaalsContact O-N 3.16Å; E232-V234 PolarHBondContact O-N 3.34Å; V234-H237 PolarHBondContact O-CE1 3.48Å; V234-H237 PolarHBondContact O-ND1 2.84Å |
| 235 | R | 94.6 | Very high | 93.9 | Very high | 76 Ų | 76 | 38.3 Ų | 38.3 | 29% | 0.287 | 19% | 0.191 | S | C | . | . | trans | -64.1 | -41.6 | 176.6 | -65.6 | 179.1 | 91.1 | 175.6 | 14.2 | 113.6 | A227 L229 W231 E232 H237 | A227-R235 WeakPolarHBondContact CB-O 3.32Å; A227-R235 PolarHBondContact N-O 3.16Å; A227-R235 WeakPolarHBondContact O-CG 3.5Å; A227-R235 PolarHBondContact O-NE 2.69Å; A227-R235 VanDerWaalsContact O-NE 3.16Å; L229-R235 HydrophobicContact CB-CG 4.28Å; L229-R235 WeakPolarHBondContact O-CD 3.36Å; L229-R235 PolarHBondContact O-NE 3.01Å; W231-R235 WeakPolarHBondContact O-CG 3.45Å; W231-R235 PolarHBondContact O-N 3.23Å; E232-R235 VanDerWaalsContact CD-NH1 3.27Å; E232-R235 WeakPolarHBondContact O-CB 3.47Å; E232-R235 PolarHBondContact O-N 3.16Å; E232-R235 VanDerWaalsContact O-N 3.09Å; E232-R235 WeakPolarHBondContact OE1-CD 3.47Å; E232-R235 IonicContact OE1-CZ 3.84Å; E232-R235 IonicContact OE1-NH1 2.9Å; E232-R235 PolarHBondContact OE1-NH1 3.42Å; E232-R235 WeakPolarHBondContact OE2-CD 3.29Å; E232-R235 IonicContact OE2-CZ 3.66Å; E232-R235 IonicContact OE2-NE 2.73Å; E232-R235 IonicContact OE2-NH1 2.84Å; E232-R235 PolarHBondContact OE2-NH1 3.42Å; R235-H237 PolarHBondContact O-N 3.2Å; R235-H237 VanDerWaalsContact O-N 3.07Å; R235-H237 PolarHBondContact O-ND1 2.9Å; R235-H237 VanDerWaalsContact O-ND1 3.15Å | ||
| 236 | P | 97 | Very high | 93.8 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 120.1 | 176.5 | -17.4 | 28.2 | 0 | 0 | 0 | 109.5 | H175 V176 A178 | H175-P236 CarbonylContact C-O 3.49Å; H175-P236 VanDerWaalsContact CA-O 3.26Å; H175-P236 WeakPolarHBondContact CA-O 3.46Å; V176-P236 HydrophobicContact CG2-CB 4.27Å; V176-P236 PolarHBondContact N-O 2.92Å; A178-P236 HydrophobicContact CB-CB 4.46Å; A178-P236 HydrophobicContact CB-CG 3.66Å |
| 237 | H | 97.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.6 | -175.2 | -92.6 | 68.1 | 0 | 0 | 0 | 110.7 | Y47 E174 H175 H224 I225 A227 V234 R235 | Y47-H237 AromaticContact CE2-NE2 3.77Å; Y47-H237 AromaticContact CZ-NE2 3.89Å; Y47-H237 PolarHBondContact OH-NE2 2.96Å; Y47-H237 VanDerWaalsContact OH-NE2 3.1Å; E174-H237 VanDerWaalsContact C-CD2 3.5Å; E174-H237 CarbonylContact O-C 3.49Å; E174-H237 WeakPolarHBondContact O-CA 3.5Å; E174-H237 WeakPolarHBondContact O-CB 3.17Å; E174-H237 PolarHBondContact O-CD2 3.4Å; H175-H237 VanDerWaalsContact CB-CE1 3.46Å; H175-H237 WeakPolarHBondContact CB-CE1 3.3Å; H224-H237 WeakPolarHBondContact CA-O 3.43Å; I225-H237 HydrophobicContact CD1-CB 4.27Å; I225-H237 HydrophobicContact CG1-CB 3.72Å; I225-H237 PolarHBondContact N-O 3.04Å; I225-H237 PolarHBondContact O-N 2.95Å; A227-H237 HydrophobicContact CB-CB 4.27Å; A227-H237 WeakPolarHBondContact CB-ND1 3.44Å; V234-H237 PolarHBondContact O-CE1 3.48Å; V234-H237 PolarHBondContact O-ND1 2.84Å; R235-H237 PolarHBondContact O-N 3.2Å; R235-H237 VanDerWaalsContact O-N 3.07Å; R235-H237 PolarHBondContact O-ND1 2.9Å; R235-H237 VanDerWaalsContact O-ND1 3.15Å |
| 238 | I | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.2 | 161.9 | 64.2 | 177 | 0 | 0 | 0 | 109.3 | F172 M173 E174 V176 W209 L212 L222 Q223 | F172-I238 HydrophobicContact CD2-CD1 4.32Å; F172-I238 HydrophobicContact CD2-CG1 4.29Å; F172-I238 HydrophobicContact CE2-CD1 4.25Å; F172-I238 HydrophobicContact CE2-CG1 4.33Å; M173-I238 CarbonylContact C-O 3.53Å; M173-I238 WeakPolarHBondContact CA-O 3.47Å; E174-I238 HydrophobicContact CB-CD1 4.46Å; E174-I238 HydrophobicContact CB-CG1 3.98Å; E174-I238 PolarHBondContact N-O 2.76Å; E174-I238 PolarHBondContact O-N 3.42Å; V176-I238 HydrophobicContact CG1-CB 4.3Å; V176-I238 HydrophobicContact CG1-CD1 3.82Å; V176-I238 HydrophobicContact CG1-CG1 3.63Å; V176-I238 HydrophobicContact CG1-CG2 3.96Å; V176-I238 HydrophobicContact CG2-CG2 4.05Å; W209-I238 HydrophobicContact CB-CD1 3.93Å; W209-I238 HydrophobicContact CB-CG2 4.29Å; L212-I238 HydrophobicContact CD1-CD1 3.61Å; L222-I238 HydrophobicContact CD1-CD1 4.32Å; L222-I238 HydrophobicContact CD2-CG2 4.23Å; Q223-I238 VanDerWaalsContact O-CA 3.25Å; Q223-I238 WeakPolarHBondContact O-CA 3.11Å |
| 239 | Y | 98.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.02 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 159 | 168.9 | 77.8 | -59.2 | 0 | 0 | 0 | 110.6 | K54 E57 L58 F172 M173 Q223 I225 | K54-Y239 HydrophobicContact CD-CE1 4.25Å; K54-Y239 HydrophobicContact CD-CE2 4.01Å; K54-Y239 PolarHBondContact NZ-OH 3.14Å; K54-Y239 VanDerWaalsContact NZ-OH 3.07Å; E57-Y239 PolarHBondContact OE1-OH 3.45Å; E57-Y239 PolarHBondContact OE2-OH 3.49Å; L58-Y239 HydrophobicContact CB-CD2 4.08Å; L58-Y239 HydrophobicContact CD1-CD2 4.07Å; L58-Y239 HydrophobicContact CD2-CD2 4.46Å; L58-Y239 HydrophobicContact CG-CD2 4.43Å; F172-Y239 CarbonylContact O-C 3.49Å; F172-Y239 WeakPolarHBondContact O-CA 3.36Å; M173-Y239 HydrophobicContact CE-CD2 4.23Å; M173-Y239 HydrophobicContact CE-CG 4.41Å; Q223-Y239 HydrophobicContact CB-CD1 4.11Å; Q223-Y239 HydrophobicContact CB-CE1 3.68Å; Q223-Y239 PolarHBondContact N-O 3.29Å; Q223-Y239 PolarHBondContact O-N 3.3Å; Q223-Y239 VanDerWaalsContact OE1-CZ 3.3Å; Q223-Y239 PolarHBondContact OE1-OH 2.97Å; I225-Y239 HydrophobicContact CD1-CD1 3.85Å; I225-Y239 HydrophobicContact CD1-CE1 4.02Å; I225-Y239 HydrophobicContact CG1-CD1 4.16Å; I225-Y239 HydrophobicContact CG1-CE1 4.37Å; I225-Y239 HydrophobicContact CG2-CD1 4.13Å; I225-Y239 HydrophobicContact CG2-CE1 3.56Å |
| 240 | G | 98.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.1 | -157.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L58 F172 K221 | L58-G240 WeakPolarHBondContact CD1-O 3.41Å; F172-G240 PolarHBondContact N-O 3.49Å; F172-G240 PolarHBondContact O-N 3.18Å; K221-G240 CarbonylContact O-C 3.6Å; K221-G240 VanDerWaalsContact O-CA 3.26Å; K221-G240 WeakPolarHBondContact O-CA 3.42Å |
| 241 | Y | 98.7 | Very high | 94.6 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 9% | 0.086 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 157.2 | 180 | 69.9 | -96.2 | 0 | 0 | 0 | 112.2 | F65 F170 Y171 K219 K221 V243 | F65-Y241 HydrophobicContact CE2-CD2 4.5Å; F65-Y241 HydrophobicContact CE2-CE2 4.41Å; F65-Y241 HydrophobicContact CZ-CD2 4.14Å; F65-Y241 AromaticContact CZ-CE2 3.85Å; F65-Y241 HydrophobicContact CZ-CE2 3.85Å; F170-Y241 CarbonylContact O-C 3.56Å; F170-Y241 WeakPolarHBondContact O-CA 3.49Å; F170-Y241 WeakPolarHBondContact O-CB 3.38Å; Y171-Y241 HydrophobicContact CE1-CD1 4.01Å; Y171-Y241 HydrophobicContact CE1-CG 4.13Å; K219-Y241 PolarHBondContact NZ-OH 3Å; K221-Y241 HydrophobicContact CB-CD1 4.4Å; K221-Y241 HydrophobicContact CB-CE1 4.21Å; K221-Y241 HydrophobicContact CD-CD1 4.32Å; K221-Y241 HydrophobicContact CD-CE1 3.67Å; K221-Y241 PolarHBondContact N-O 3.21Å; K221-Y241 PolarHBondContact O-N 3.31Å; Y241-V243 HydrophobicContact CD2-CG2 4.14Å; Y241-V243 HydrophobicContact CE2-CG2 3.99Å |
| 242 | A | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 154.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A169 F170 F217 K219 L220 | A169-A242 CarbonylContact C-O 3.56Å; A169-A242 VanDerWaalsContact CA-O 3.25Å; A169-A242 WeakPolarHBondContact CA-O 3.37Å; F170-A242 PolarHBondContact N-O 3.01Å; F170-A242 PolarHBondContact O-N 3.1Å; F217-A242 HydrophobicContact CB-CB 3.75Å; F217-A242 HydrophobicContact CD1-CB 3.8Å; F217-A242 HydrophobicContact CD2-CB 3.47Å; F217-A242 VanDerWaalsContact CD2-CB 3.47Å; F217-A242 HydrophobicContact CE1-CB 4.24Å; F217-A242 HydrophobicContact CE2-CB 3.96Å; F217-A242 HydrophobicContact CG-CB 3.39Å; F217-A242 HydrophobicContact CZ-CB 4.32Å; K219-A242 CarbonylContact O-C 3.59Å; K219-A242 WeakPolarHBondContact O-CA 3.16Å; K219-A242 WeakPolarHBondContact O-CB 3.34Å; L220-A242 HydrophobicContact CD1-CB 3.86Å |
| 243 | V | 98.6 | Very high | 96.4 | Very high | 20 Ų | 20 | 21.6 Ų | 21.6 | 12% | 0.121 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.7 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | F65 F217 S218 K219 Y241 | F65-V243 HydrophobicContact CE1-CG2 3.88Å; F65-V243 HydrophobicContact CZ-CG2 4.12Å; F217-V243 CarbonylContact C-O 3.56Å; F217-V243 WeakPolarHBondContact CA-O 3.43Å; F217-V243 WeakPolarHBondContact CB-O 3.31Å; S218-V243 PolarHBondContact N-O 3.05Å; S218-V243 PolarHBondContact OG-O 3.04Å; K219-V243 HydrophobicContact CB-CB 4.07Å; K219-V243 HydrophobicContact CB-CG2 4.1Å; K219-V243 HydrophobicContact CD-CG2 4.27Å; K219-V243 PolarHBondContact O-N 3.35Å; Y241-V243 HydrophobicContact CD2-CG2 4.14Å; Y241-V243 HydrophobicContact CE2-CG2 3.99Å |
| 244 | K | 97.6 | Very high | 97.2 | Very high | 77 Ų | 77 | 20.3 Ų | 20.3 | 34% | 0.335 | 9% | 0.092 | S | C | . | . | trans | -75.6 | 0 | 170.5 | -178.7 | 176.5 | 177.9 | 179.1 | 0 | 109.8 | C161 L164 G167 G168 S218 | C161-K244 VanDerWaalsContact O-CD 3.25Å; C161-K244 WeakPolarHBondContact O-CD 3.2Å; C161-K244 WeakPolarHBondContact O-CE 3.21Å; C161-K244 PolarHBondContact O-NZ 2.91Å; L164-K244 HydrophobicContact CB-CB 4.3Å; L164-K244 HydrophobicContact CB-CD 3.8Å; L164-K244 HydrophobicContact CD1-CB 4.4Å; L164-K244 VanDerWaalsContact O-CD 3.28Å; L164-K244 WeakPolarHBondContact O-CD 3.46Å; L164-K244 PolarHBondContact O-NZ 3.05Å; G167-K244 WeakPolarHBondContact CA-O 3.15Å; G167-K244 PolarHBondContact N-O 3.27Å; G168-K244 PolarHBondContact O-N 3.32Å; S218-K244 WeakPolarHBondContact CB-OXT 3.35Å; S218-K244 PolarHBondContact OG-OXT 3.46Å |
Retrieved 244 of 244 residues in 68.3 ms
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